Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 16:48: 9 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TiCdHg2.save/ file Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S renormalized file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 90 44 13 3738 1310 205 Max 91 45 14 3743 1341 208 Sum 3249 1617 481 134639 47773 7447 bravais-lattice index = 14 lattice parameter (alat) = 7.9935 a.u. unit-cell volume = 493.8562 (a.u.)^3 number of atoms/cell = 4 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 = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.993541 celldm(2)= 1.000000 celldm(3)= 0.966903 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 0.966903 ) 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 1.034230 ) PseudoPot. # 1 for Hg read from file: /users/gautes/Pseudo/Hg.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: a7fd98bfb2640362c6e2ed76594f1960 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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. # 2 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 atomic species valence mass pseudopotential Hg 12.00 200.59000 Hg( 1.00) Cd 12.00 112.41100 Cd( 1.00) Ti 12.00 47.86700 Ti( 1.00) 16 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 180 deg rotation - cart. axis [1,1,0] cryst. s( 5) = ( 0 1 0 ) ( 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 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 90 deg rotation - cart. axis [0,0,-1] cryst. s( 7) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 7) = ( -0.0000000 1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 8 90 deg rotation - cart. axis [0,0,1] cryst. s( 8) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 8) = ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) 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 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s(10) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s(11) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s(12) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s(12) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -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 ) ( 1 0 0 ) ( 0 0 1 ) cart. s(14) = ( 0.0000000 1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 15 inv. 90 deg rotation - cart. axis [0,0,-1] cryst. s(15) = ( 0 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(15) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 16 inv. 90 deg rotation - cart. axis [0,0,1] cryst. s(16) = ( 0 -1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s(16) = ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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= 384 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 2) = ( 0.0000000 0.0131579 -0.0000000), wk = 0.0026042 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0026042 k( 4) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0026042 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0026042 k( 6) = ( 0.0000000 0.0657895 -0.0000000), wk = 0.0026042 k( 7) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0026042 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0026042 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0026042 k( 10) = ( 0.0000000 0.1184210 -0.0000000), wk = 0.0026042 k( 11) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0026042 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0026042 k( 13) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0026042 k( 14) = ( 0.0000000 0.1710526 -0.0000000), wk = 0.0026042 k( 15) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0026042 k( 16) = ( 0.0000000 0.1973684 -0.0000000), wk = 0.0026042 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0026042 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0026042 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0026042 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0026042 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0026042 k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0026042 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0026042 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0026042 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0026042 k( 26) = ( 0.0000000 0.3289474 -0.0000000), wk = 0.0026042 k( 27) = ( 0.0000000 0.3421053 -0.0000000), wk = 0.0026042 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0026042 k( 29) = ( 0.0000000 0.3684211 -0.0000000), wk = 0.0026042 k( 30) = ( 0.0000000 0.3815789 -0.0000000), wk = 0.0026042 k( 31) = ( 0.0000000 0.3947368 -0.0000000), wk = 0.0026042 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0026042 k( 33) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0026042 k( 34) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0026042 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0026042 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0026042 k( 37) = ( 0.0000000 0.4736842 -0.0000000), wk = 0.0026042 k( 38) = ( 0.0000000 0.4868421 -0.0000000), wk = 0.0026042 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026042 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026042 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0026042 k( 42) = ( 0.0263158 0.5000000 -0.0000000), wk = 0.0026042 k( 43) = ( 0.0394737 0.5000000 -0.0000000), wk = 0.0026042 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0026042 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0026042 k( 46) = ( 0.0789474 0.5000000 -0.0000000), wk = 0.0026042 k( 47) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0026042 k( 48) = ( 0.1052632 0.5000000 -0.0000000), wk = 0.0026042 k( 49) = ( 0.1184210 0.5000000 -0.0000000), wk = 0.0026042 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0026042 k( 51) = ( 0.1447368 0.5000000 -0.0000000), wk = 0.0026042 k( 52) = ( 0.1578947 0.5000000 -0.0000000), wk = 0.0026042 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0026042 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0026042 k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0026042 k( 56) = ( 0.2105263 0.5000000 -0.0000000), wk = 0.0026042 k( 57) = ( 0.2236842 0.5000000 -0.0000000), wk = 0.0026042 k( 58) = ( 0.2368421 0.5000000 -0.0000000), wk = 0.0026042 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0026042 k( 60) = ( 0.2631579 0.5000000 -0.0000000), wk = 0.0026042 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0026042 k( 62) = ( 0.2894737 0.5000000 -0.0000000), wk = 0.0026042 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0026042 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0026042 k( 65) = ( 0.3289474 0.5000000 -0.0000000), wk = 0.0026042 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0026042 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0026042 k( 68) = ( 0.3684211 0.5000000 -0.0000000), wk = 0.0026042 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0026042 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0026042 k( 71) = ( 0.4078947 0.5000000 -0.0000000), wk = 0.0026042 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0026042 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0026042 k( 74) = ( 0.4473684 0.5000000 -0.0000000), wk = 0.0026042 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0026042 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0026042 k( 77) = ( 0.4868421 0.5000000 -0.0000000), wk = 0.0026042 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026042 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026042 k( 80) = ( 0.4905660 0.4905660 -0.0000000), wk = 0.0026042 k( 81) = ( 0.4811321 0.4811321 -0.0000000), wk = 0.0026042 k( 82) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0026042 k( 83) = ( 0.4622641 0.4622641 -0.0000000), wk = 0.0026042 k( 84) = ( 0.4528302 0.4528302 -0.0000000), wk = 0.0026042 k( 85) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0026042 k( 86) = ( 0.4339623 0.4339623 -0.0000000), wk = 0.0026042 k( 87) = ( 0.4245283 0.4245283 -0.0000000), wk = 0.0026042 k( 88) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0026042 k( 89) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0026042 k( 90) = ( 0.3962264 0.3962264 -0.0000000), wk = 0.0026042 k( 91) = ( 0.3867925 0.3867924 -0.0000000), wk = 0.0026042 k( 92) = ( 0.3773585 0.3773585 -0.0000000), wk = 0.0026042 k( 93) = ( 0.3679245 0.3679245 -0.0000000), wk = 0.0026042 k( 94) = ( 0.3584906 0.3584906 -0.0000000), wk = 0.0026042 k( 95) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0026042 k( 96) = ( 0.3396226 0.3396226 -0.0000000), wk = 0.0026042 k( 97) = ( 0.3301887 0.3301887 -0.0000000), wk = 0.0026042 k( 98) = ( 0.3207547 0.3207547 -0.0000000), wk = 0.0026042 k( 99) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0026042 k( 100) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0026042 k( 101) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0026042 k( 102) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0026042 k( 103) = ( 0.2735849 0.2735849 -0.0000000), wk = 0.0026042 k( 104) = ( 0.2641509 0.2641509 -0.0000000), wk = 0.0026042 k( 105) = ( 0.2547170 0.2547170 -0.0000000), wk = 0.0026042 k( 106) = ( 0.2452830 0.2452830 -0.0000000), wk = 0.0026042 k( 107) = ( 0.2358491 0.2358491 -0.0000000), wk = 0.0026042 k( 108) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0026042 k( 109) = ( 0.2169811 0.2169811 -0.0000000), wk = 0.0026042 k( 110) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0026042 k( 111) = ( 0.1981132 0.1981132 -0.0000000), wk = 0.0026042 k( 112) = ( 0.1886792 0.1886792 -0.0000000), wk = 0.0026042 k( 113) = ( 0.1792453 0.1792453 -0.0000000), wk = 0.0026042 k( 114) = ( 0.1698113 0.1698113 -0.0000000), wk = 0.0026042 k( 115) = ( 0.1603774 0.1603774 -0.0000000), wk = 0.0026042 k( 116) = ( 0.1509434 0.1509434 -0.0000000), wk = 0.0026042 k( 117) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0026042 k( 118) = ( 0.1320755 0.1320755 -0.0000000), wk = 0.0026042 k( 119) = ( 0.1226415 0.1226415 -0.0000000), wk = 0.0026042 k( 120) = ( 0.1132076 0.1132075 -0.0000000), wk = 0.0026042 k( 121) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0026042 k( 122) = ( 0.0943396 0.0943396 -0.0000000), wk = 0.0026042 k( 123) = ( 0.0849057 0.0849057 -0.0000000), wk = 0.0026042 k( 124) = ( 0.0754717 0.0754717 -0.0000000), wk = 0.0026042 k( 125) = ( 0.0660377 0.0660377 -0.0000000), wk = 0.0026042 k( 126) = ( 0.0566038 0.0566038 -0.0000000), wk = 0.0026042 k( 127) = ( 0.0471698 0.0471698 -0.0000000), wk = 0.0026042 k( 128) = ( 0.0377359 0.0377358 -0.0000000), wk = 0.0026042 k( 129) = ( 0.0283019 0.0283019 -0.0000000), wk = 0.0026042 k( 130) = ( 0.0188679 0.0188679 -0.0000000), wk = 0.0026042 k( 131) = ( 0.0094340 0.0094340 -0.0000000), wk = 0.0026042 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 134) = ( 0.0000000 0.0000000 0.0132594), wk = 0.0026042 k( 135) = ( 0.0000000 0.0000000 0.0265187), wk = 0.0026042 k( 136) = ( 0.0000000 0.0000000 0.0397781), wk = 0.0026042 k( 137) = ( 0.0000000 0.0000000 0.0530374), wk = 0.0026042 k( 138) = ( 0.0000000 0.0000000 0.0662968), wk = 0.0026042 k( 139) = ( 0.0000000 0.0000000 0.0795561), wk = 0.0026042 k( 140) = ( 0.0000000 0.0000000 0.0928155), wk = 0.0026042 k( 141) = ( 0.0000000 0.0000000 0.1060749), wk = 0.0026042 k( 142) = ( 0.0000000 0.0000000 0.1193342), wk = 0.0026042 k( 143) = ( 0.0000000 0.0000000 0.1325936), wk = 0.0026042 k( 144) = ( 0.0000000 0.0000000 0.1458529), wk = 0.0026042 k( 145) = ( 0.0000000 0.0000000 0.1591123), wk = 0.0026042 k( 146) = ( 0.0000000 0.0000000 0.1723716), wk = 0.0026042 k( 147) = ( 0.0000000 0.0000000 0.1856310), wk = 0.0026042 k( 148) = ( 0.0000000 0.0000000 0.1988903), wk = 0.0026042 k( 149) = ( 0.0000000 0.0000000 0.2121497), wk = 0.0026042 k( 150) = ( 0.0000000 0.0000000 0.2254091), wk = 0.0026042 k( 151) = ( 0.0000000 0.0000000 0.2386684), wk = 0.0026042 k( 152) = ( 0.0000000 0.0000000 0.2519278), wk = 0.0026042 k( 153) = ( 0.0000000 0.0000000 0.2651871), wk = 0.0026042 k( 154) = ( 0.0000000 0.0000000 0.2784465), wk = 0.0026042 k( 155) = ( 0.0000000 0.0000000 0.2917058), wk = 0.0026042 k( 156) = ( 0.0000000 0.0000000 0.3049652), wk = 0.0026042 k( 157) = ( 0.0000000 0.0000000 0.3182246), wk = 0.0026042 k( 158) = ( 0.0000000 0.0000000 0.3314839), wk = 0.0026042 k( 159) = ( 0.0000000 0.0000000 0.3447433), wk = 0.0026042 k( 160) = ( 0.0000000 0.0000000 0.3580026), wk = 0.0026042 k( 161) = ( 0.0000000 0.0000000 0.3712620), wk = 0.0026042 k( 162) = ( 0.0000000 0.0000000 0.3845213), wk = 0.0026042 k( 163) = ( 0.0000000 0.0000000 0.3977807), wk = 0.0026042 k( 164) = ( 0.0000000 0.0000000 0.4110401), wk = 0.0026042 k( 165) = ( 0.0000000 0.0000000 0.4242994), wk = 0.0026042 k( 166) = ( 0.0000000 0.0000000 0.4375588), wk = 0.0026042 k( 167) = ( 0.0000000 0.0000000 0.4508181), wk = 0.0026042 k( 168) = ( 0.0000000 0.0000000 0.4640775), wk = 0.0026042 k( 169) = ( 0.0000000 0.0000000 0.4773368), wk = 0.0026042 k( 170) = ( 0.0000000 0.0000000 0.4905962), wk = 0.0026042 k( 171) = ( 0.0000000 0.0000000 0.5038556), wk = 0.0026042 k( 172) = ( 0.0000000 0.0000000 0.5171149), wk = 0.0026042 k( 173) = ( 0.0000000 0.0000000 0.5171149), wk = 0.0026042 k( 174) = ( 0.0000000 0.0131579 0.5171149), wk = 0.0026042 k( 175) = ( 0.0000000 0.0263158 0.5171149), wk = 0.0026042 k( 176) = ( 0.0000000 0.0394737 0.5171149), wk = 0.0026042 k( 177) = ( 0.0000000 0.0526316 0.5171149), wk = 0.0026042 k( 178) = ( 0.0000000 0.0657895 0.5171149), wk = 0.0026042 k( 179) = ( 0.0000000 0.0789474 0.5171149), wk = 0.0026042 k( 180) = ( 0.0000000 0.0921053 0.5171149), wk = 0.0026042 k( 181) = ( 0.0000000 0.1052632 0.5171149), wk = 0.0026042 k( 182) = ( 0.0000000 0.1184210 0.5171149), wk = 0.0026042 k( 183) = ( 0.0000000 0.1315790 0.5171149), wk = 0.0026042 k( 184) = ( 0.0000000 0.1447368 0.5171149), wk = 0.0026042 k( 185) = ( 0.0000000 0.1578947 0.5171149), wk = 0.0026042 k( 186) = ( 0.0000000 0.1710526 0.5171149), wk = 0.0026042 k( 187) = ( 0.0000000 0.1842105 0.5171149), wk = 0.0026042 k( 188) = ( 0.0000000 0.1973684 0.5171149), wk = 0.0026042 k( 189) = ( 0.0000000 0.2105263 0.5171149), wk = 0.0026042 k( 190) = ( 0.0000000 0.2236842 0.5171149), wk = 0.0026042 k( 191) = ( 0.0000000 0.2368421 0.5171149), wk = 0.0026042 k( 192) = ( 0.0000000 0.2500000 0.5171149), wk = 0.0026042 k( 193) = ( 0.0000000 0.2631579 0.5171149), wk = 0.0026042 k( 194) = ( 0.0000000 0.2763158 0.5171149), wk = 0.0026042 k( 195) = ( 0.0000000 0.2894737 0.5171149), wk = 0.0026042 k( 196) = ( 0.0000000 0.3026316 0.5171149), wk = 0.0026042 k( 197) = ( 0.0000000 0.3157895 0.5171149), wk = 0.0026042 k( 198) = ( 0.0000000 0.3289474 0.5171149), wk = 0.0026042 k( 199) = ( 0.0000000 0.3421053 0.5171149), wk = 0.0026042 k( 200) = ( 0.0000000 0.3552632 0.5171149), wk = 0.0026042 k( 201) = ( 0.0000000 0.3684211 0.5171149), wk = 0.0026042 k( 202) = ( 0.0000000 0.3815789 0.5171149), wk = 0.0026042 k( 203) = ( 0.0000000 0.3947368 0.5171149), wk = 0.0026042 k( 204) = ( 0.0000000 0.4078947 0.5171149), wk = 0.0026042 k( 205) = ( 0.0000000 0.4210526 0.5171149), wk = 0.0026042 k( 206) = ( 0.0000000 0.4342105 0.5171149), wk = 0.0026042 k( 207) = ( 0.0000000 0.4473684 0.5171149), wk = 0.0026042 k( 208) = ( 0.0000000 0.4605263 0.5171149), wk = 0.0026042 k( 209) = ( 0.0000000 0.4736842 0.5171149), wk = 0.0026042 k( 210) = ( 0.0000000 0.4868421 0.5171149), wk = 0.0026042 k( 211) = ( 0.0000000 0.5000000 0.5171149), wk = 0.0026042 k( 212) = ( 0.0000000 0.5000000 0.5171149), wk = 0.0026042 k( 213) = ( 0.0131579 0.5000000 0.5171149), wk = 0.0026042 k( 214) = ( 0.0263158 0.5000000 0.5171149), wk = 0.0026042 k( 215) = ( 0.0394737 0.5000000 0.5171149), wk = 0.0026042 k( 216) = ( 0.0526316 0.5000000 0.5171149), wk = 0.0026042 k( 217) = ( 0.0657895 0.5000000 0.5171149), wk = 0.0026042 k( 218) = ( 0.0789474 0.5000000 0.5171149), wk = 0.0026042 k( 219) = ( 0.0921053 0.5000000 0.5171149), wk = 0.0026042 k( 220) = ( 0.1052632 0.5000000 0.5171149), wk = 0.0026042 k( 221) = ( 0.1184210 0.5000000 0.5171149), wk = 0.0026042 k( 222) = ( 0.1315790 0.5000000 0.5171149), wk = 0.0026042 k( 223) = ( 0.1447368 0.5000000 0.5171149), wk = 0.0026042 k( 224) = ( 0.1578947 0.5000000 0.5171149), wk = 0.0026042 k( 225) = ( 0.1710526 0.5000000 0.5171149), wk = 0.0026042 k( 226) = ( 0.1842105 0.5000000 0.5171149), wk = 0.0026042 k( 227) = ( 0.1973684 0.5000000 0.5171149), wk = 0.0026042 k( 228) = ( 0.2105263 0.5000000 0.5171149), wk = 0.0026042 k( 229) = ( 0.2236842 0.5000000 0.5171149), wk = 0.0026042 k( 230) = ( 0.2368421 0.5000000 0.5171149), wk = 0.0026042 k( 231) = ( 0.2500000 0.5000000 0.5171149), wk = 0.0026042 k( 232) = ( 0.2631579 0.5000000 0.5171149), wk = 0.0026042 k( 233) = ( 0.2763158 0.5000000 0.5171149), wk = 0.0026042 k( 234) = ( 0.2894737 0.5000000 0.5171149), wk = 0.0026042 k( 235) = ( 0.3026316 0.5000000 0.5171149), wk = 0.0026042 k( 236) = ( 0.3157895 0.5000000 0.5171149), wk = 0.0026042 k( 237) = ( 0.3289474 0.5000000 0.5171149), wk = 0.0026042 k( 238) = ( 0.3421053 0.5000000 0.5171149), wk = 0.0026042 k( 239) = ( 0.3552632 0.5000000 0.5171149), wk = 0.0026042 k( 240) = ( 0.3684211 0.5000000 0.5171149), wk = 0.0026042 k( 241) = ( 0.3815789 0.5000000 0.5171149), wk = 0.0026042 k( 242) = ( 0.3947368 0.5000000 0.5171149), wk = 0.0026042 k( 243) = ( 0.4078947 0.5000000 0.5171149), wk = 0.0026042 k( 244) = ( 0.4210526 0.5000000 0.5171149), wk = 0.0026042 k( 245) = ( 0.4342105 0.5000000 0.5171149), wk = 0.0026042 k( 246) = ( 0.4473684 0.5000000 0.5171149), wk = 0.0026042 k( 247) = ( 0.4605263 0.5000000 0.5171149), wk = 0.0026042 k( 248) = ( 0.4736842 0.5000000 0.5171149), wk = 0.0026042 k( 249) = ( 0.4868421 0.5000000 0.5171149), wk = 0.0026042 k( 250) = ( 0.5000000 0.5000000 0.5171149), wk = 0.0026042 k( 251) = ( 0.5000000 0.5000000 0.5171149), wk = 0.0026042 k( 252) = ( 0.4905660 0.4905660 0.5171149), wk = 0.0026042 k( 253) = ( 0.4811321 0.4811321 0.5171149), wk = 0.0026042 k( 254) = ( 0.4716981 0.4716981 0.5171149), wk = 0.0026042 k( 255) = ( 0.4622641 0.4622641 0.5171149), wk = 0.0026042 k( 256) = ( 0.4528302 0.4528302 0.5171149), wk = 0.0026042 k( 257) = ( 0.4433962 0.4433962 0.5171149), wk = 0.0026042 k( 258) = ( 0.4339623 0.4339623 0.5171149), wk = 0.0026042 k( 259) = ( 0.4245283 0.4245283 0.5171149), wk = 0.0026042 k( 260) = ( 0.4150943 0.4150943 0.5171149), wk = 0.0026042 k( 261) = ( 0.4056604 0.4056604 0.5171149), wk = 0.0026042 k( 262) = ( 0.3962264 0.3962264 0.5171149), wk = 0.0026042 k( 263) = ( 0.3867925 0.3867924 0.5171149), wk = 0.0026042 k( 264) = ( 0.3773585 0.3773585 0.5171149), wk = 0.0026042 k( 265) = ( 0.3679245 0.3679245 0.5171149), wk = 0.0026042 k( 266) = ( 0.3584906 0.3584906 0.5171149), wk = 0.0026042 k( 267) = ( 0.3490566 0.3490566 0.5171149), wk = 0.0026042 k( 268) = ( 0.3396226 0.3396226 0.5171149), wk = 0.0026042 k( 269) = ( 0.3301887 0.3301887 0.5171149), wk = 0.0026042 k( 270) = ( 0.3207547 0.3207547 0.5171149), wk = 0.0026042 k( 271) = ( 0.3113207 0.3113207 0.5171149), wk = 0.0026042 k( 272) = ( 0.3018868 0.3018868 0.5171149), wk = 0.0026042 k( 273) = ( 0.2924528 0.2924528 0.5171149), wk = 0.0026042 k( 274) = ( 0.2830189 0.2830189 0.5171149), wk = 0.0026042 k( 275) = ( 0.2735849 0.2735849 0.5171149), wk = 0.0026042 k( 276) = ( 0.2641509 0.2641509 0.5171149), wk = 0.0026042 k( 277) = ( 0.2547170 0.2547170 0.5171149), wk = 0.0026042 k( 278) = ( 0.2452830 0.2452830 0.5171149), wk = 0.0026042 k( 279) = ( 0.2358491 0.2358491 0.5171149), wk = 0.0026042 k( 280) = ( 0.2264151 0.2264151 0.5171149), wk = 0.0026042 k( 281) = ( 0.2169811 0.2169811 0.5171149), wk = 0.0026042 k( 282) = ( 0.2075472 0.2075472 0.5171149), wk = 0.0026042 k( 283) = ( 0.1981132 0.1981132 0.5171149), wk = 0.0026042 k( 284) = ( 0.1886792 0.1886792 0.5171149), wk = 0.0026042 k( 285) = ( 0.1792453 0.1792453 0.5171149), wk = 0.0026042 k( 286) = ( 0.1698113 0.1698113 0.5171149), wk = 0.0026042 k( 287) = ( 0.1603774 0.1603774 0.5171149), wk = 0.0026042 k( 288) = ( 0.1509434 0.1509434 0.5171149), wk = 0.0026042 k( 289) = ( 0.1415094 0.1415094 0.5171149), wk = 0.0026042 k( 290) = ( 0.1320755 0.1320755 0.5171149), wk = 0.0026042 k( 291) = ( 0.1226415 0.1226415 0.5171149), wk = 0.0026042 k( 292) = ( 0.1132076 0.1132075 0.5171149), wk = 0.0026042 k( 293) = ( 0.1037736 0.1037736 0.5171149), wk = 0.0026042 k( 294) = ( 0.0943396 0.0943396 0.5171149), wk = 0.0026042 k( 295) = ( 0.0849057 0.0849057 0.5171149), wk = 0.0026042 k( 296) = ( 0.0754717 0.0754717 0.5171149), wk = 0.0026042 k( 297) = ( 0.0660377 0.0660377 0.5171149), wk = 0.0026042 k( 298) = ( 0.0566038 0.0566038 0.5171149), wk = 0.0026042 k( 299) = ( 0.0471698 0.0471698 0.5171149), wk = 0.0026042 k( 300) = ( 0.0377359 0.0377358 0.5171149), wk = 0.0026042 k( 301) = ( 0.0283019 0.0283019 0.5171149), wk = 0.0026042 k( 302) = ( 0.0188679 0.0188679 0.5171149), wk = 0.0026042 k( 303) = ( 0.0094340 0.0094340 0.5171149), wk = 0.0026042 k( 304) = ( 0.0000000 0.0000000 0.5171149), wk = 0.0026042 k( 305) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026042 k( 306) = ( 0.0000000 0.5000000 0.0132594), wk = 0.0026042 k( 307) = ( 0.0000000 0.5000000 0.0265187), wk = 0.0026042 k( 308) = ( 0.0000000 0.5000000 0.0397781), wk = 0.0026042 k( 309) = ( 0.0000000 0.5000000 0.0530374), wk = 0.0026042 k( 310) = ( 0.0000000 0.5000000 0.0662968), wk = 0.0026042 k( 311) = ( 0.0000000 0.5000000 0.0795561), wk = 0.0026042 k( 312) = ( 0.0000000 0.5000000 0.0928155), wk = 0.0026042 k( 313) = ( 0.0000000 0.5000000 0.1060749), wk = 0.0026042 k( 314) = ( 0.0000000 0.5000000 0.1193342), wk = 0.0026042 k( 315) = ( 0.0000000 0.5000000 0.1325936), wk = 0.0026042 k( 316) = ( 0.0000000 0.5000000 0.1458529), wk = 0.0026042 k( 317) = ( 0.0000000 0.5000000 0.1591123), wk = 0.0026042 k( 318) = ( 0.0000000 0.5000000 0.1723716), wk = 0.0026042 k( 319) = ( 0.0000000 0.5000000 0.1856310), wk = 0.0026042 k( 320) = ( 0.0000000 0.5000000 0.1988903), wk = 0.0026042 k( 321) = ( 0.0000000 0.5000000 0.2121497), wk = 0.0026042 k( 322) = ( 0.0000000 0.5000000 0.2254091), wk = 0.0026042 k( 323) = ( 0.0000000 0.5000000 0.2386684), wk = 0.0026042 k( 324) = ( 0.0000000 0.5000000 0.2519278), wk = 0.0026042 k( 325) = ( 0.0000000 0.5000000 0.2651871), wk = 0.0026042 k( 326) = ( 0.0000000 0.5000000 0.2784465), wk = 0.0026042 k( 327) = ( 0.0000000 0.5000000 0.2917058), wk = 0.0026042 k( 328) = ( 0.0000000 0.5000000 0.3049652), wk = 0.0026042 k( 329) = ( 0.0000000 0.5000000 0.3182246), wk = 0.0026042 k( 330) = ( 0.0000000 0.5000000 0.3314839), wk = 0.0026042 k( 331) = ( 0.0000000 0.5000000 0.3447433), wk = 0.0026042 k( 332) = ( 0.0000000 0.5000000 0.3580026), wk = 0.0026042 k( 333) = ( 0.0000000 0.5000000 0.3712620), wk = 0.0026042 k( 334) = ( 0.0000000 0.5000000 0.3845213), wk = 0.0026042 k( 335) = ( 0.0000000 0.5000000 0.3977807), wk = 0.0026042 k( 336) = ( 0.0000000 0.5000000 0.4110401), wk = 0.0026042 k( 337) = ( 0.0000000 0.5000000 0.4242994), wk = 0.0026042 k( 338) = ( 0.0000000 0.5000000 0.4375588), wk = 0.0026042 k( 339) = ( 0.0000000 0.5000000 0.4508181), wk = 0.0026042 k( 340) = ( 0.0000000 0.5000000 0.4640775), wk = 0.0026042 k( 341) = ( 0.0000000 0.5000000 0.4773368), wk = 0.0026042 k( 342) = ( 0.0000000 0.5000000 0.4905962), wk = 0.0026042 k( 343) = ( 0.0000000 0.5000000 0.5038556), wk = 0.0026042 k( 344) = ( 0.0000000 0.5000000 0.5171149), wk = 0.0026042 k( 345) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026042 k( 346) = ( 0.5000000 0.5000000 0.0132594), wk = 0.0026042 k( 347) = ( 0.5000000 0.5000000 0.0265187), wk = 0.0026042 k( 348) = ( 0.5000000 0.5000000 0.0397781), wk = 0.0026042 k( 349) = ( 0.5000000 0.5000000 0.0530374), wk = 0.0026042 k( 350) = ( 0.5000000 0.5000000 0.0662968), wk = 0.0026042 k( 351) = ( 0.5000000 0.5000000 0.0795561), wk = 0.0026042 k( 352) = ( 0.5000000 0.5000000 0.0928155), wk = 0.0026042 k( 353) = ( 0.5000000 0.5000000 0.1060749), wk = 0.0026042 k( 354) = ( 0.5000000 0.5000000 0.1193342), wk = 0.0026042 k( 355) = ( 0.5000000 0.5000000 0.1325936), wk = 0.0026042 k( 356) = ( 0.5000000 0.5000000 0.1458529), wk = 0.0026042 k( 357) = ( 0.5000000 0.5000000 0.1591123), wk = 0.0026042 k( 358) = ( 0.5000000 0.5000000 0.1723716), wk = 0.0026042 k( 359) = ( 0.5000000 0.5000000 0.1856310), wk = 0.0026042 k( 360) = ( 0.5000000 0.5000000 0.1988903), wk = 0.0026042 k( 361) = ( 0.5000000 0.5000000 0.2121497), wk = 0.0026042 k( 362) = ( 0.5000000 0.5000000 0.2254091), wk = 0.0026042 k( 363) = ( 0.5000000 0.5000000 0.2386684), wk = 0.0026042 k( 364) = ( 0.5000000 0.5000000 0.2519278), wk = 0.0026042 k( 365) = ( 0.5000000 0.5000000 0.2651871), wk = 0.0026042 k( 366) = ( 0.5000000 0.5000000 0.2784465), wk = 0.0026042 k( 367) = ( 0.5000000 0.5000000 0.2917058), wk = 0.0026042 k( 368) = ( 0.5000000 0.5000000 0.3049652), wk = 0.0026042 k( 369) = ( 0.5000000 0.5000000 0.3182246), wk = 0.0026042 k( 370) = ( 0.5000000 0.5000000 0.3314839), wk = 0.0026042 k( 371) = ( 0.5000000 0.5000000 0.3447433), wk = 0.0026042 k( 372) = ( 0.5000000 0.5000000 0.3580026), wk = 0.0026042 k( 373) = ( 0.5000000 0.5000000 0.3712620), wk = 0.0026042 k( 374) = ( 0.5000000 0.5000000 0.3845213), wk = 0.0026042 k( 375) = ( 0.5000000 0.5000000 0.3977807), wk = 0.0026042 k( 376) = ( 0.5000000 0.5000000 0.4110401), wk = 0.0026042 k( 377) = ( 0.5000000 0.5000000 0.4242994), wk = 0.0026042 k( 378) = ( 0.5000000 0.5000000 0.4375588), wk = 0.0026042 k( 379) = ( 0.5000000 0.5000000 0.4508181), wk = 0.0026042 k( 380) = ( 0.5000000 0.5000000 0.4640775), wk = 0.0026042 k( 381) = ( 0.5000000 0.5000000 0.4773368), wk = 0.0026042 k( 382) = ( 0.5000000 0.5000000 0.4905962), wk = 0.0026042 k( 383) = ( 0.5000000 0.5000000 0.5038556), wk = 0.0026042 k( 384) = ( 0.5000000 0.5000000 0.5171149), wk = 0.0026042 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 2) = ( 0.0000000 0.0131579 0.0000000), wk = 0.0026042 k( 3) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0026042 k( 4) = ( 0.0000000 0.0394737 0.0000000), wk = 0.0026042 k( 5) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0026042 k( 6) = ( 0.0000000 0.0657895 0.0000000), wk = 0.0026042 k( 7) = ( 0.0000000 0.0789474 0.0000000), wk = 0.0026042 k( 8) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0026042 k( 9) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0026042 k( 10) = ( 0.0000000 0.1184210 0.0000000), wk = 0.0026042 k( 11) = ( 0.0000000 0.1315790 -0.0000000), wk = 0.0026042 k( 12) = ( 0.0000000 0.1447368 -0.0000000), wk = 0.0026042 k( 13) = ( 0.0000000 0.1578947 0.0000000), wk = 0.0026042 k( 14) = ( 0.0000000 0.1710526 0.0000000), wk = 0.0026042 k( 15) = ( 0.0000000 0.1842105 0.0000000), wk = 0.0026042 k( 16) = ( 0.0000000 0.1973684 0.0000000), wk = 0.0026042 k( 17) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0026042 k( 18) = ( 0.0000000 0.2236842 -0.0000000), wk = 0.0026042 k( 19) = ( 0.0000000 0.2368421 -0.0000000), wk = 0.0026042 k( 20) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0026042 k( 21) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0026042 k( 22) = ( 0.0000000 0.2763158 -0.0000000), wk = 0.0026042 k( 23) = ( 0.0000000 0.2894737 -0.0000000), wk = 0.0026042 k( 24) = ( 0.0000000 0.3026316 -0.0000000), wk = 0.0026042 k( 25) = ( 0.0000000 0.3157895 -0.0000000), wk = 0.0026042 k( 26) = ( 0.0000000 0.3289474 0.0000000), wk = 0.0026042 k( 27) = ( 0.0000000 0.3421053 0.0000000), wk = 0.0026042 k( 28) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0026042 k( 29) = ( 0.0000000 0.3684211 0.0000000), wk = 0.0026042 k( 30) = ( 0.0000000 0.3815789 0.0000000), wk = 0.0026042 k( 31) = ( 0.0000000 0.3947368 0.0000000), wk = 0.0026042 k( 32) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0026042 k( 33) = ( 0.0000000 0.4210526 0.0000000), wk = 0.0026042 k( 34) = ( 0.0000000 0.4342105 -0.0000000), wk = 0.0026042 k( 35) = ( 0.0000000 0.4473684 -0.0000000), wk = 0.0026042 k( 36) = ( 0.0000000 0.4605263 -0.0000000), wk = 0.0026042 k( 37) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0026042 k( 38) = ( 0.0000000 0.4868421 -0.0000000), wk = 0.0026042 k( 39) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026042 k( 40) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026042 k( 41) = ( 0.0131579 0.5000000 -0.0000000), wk = 0.0026042 k( 42) = ( 0.0263158 0.5000000 0.0000000), wk = 0.0026042 k( 43) = ( 0.0394737 0.5000000 0.0000000), wk = 0.0026042 k( 44) = ( 0.0526316 0.5000000 -0.0000000), wk = 0.0026042 k( 45) = ( 0.0657895 0.5000000 -0.0000000), wk = 0.0026042 k( 46) = ( 0.0789474 0.5000000 0.0000000), wk = 0.0026042 k( 47) = ( 0.0921053 0.5000000 -0.0000000), wk = 0.0026042 k( 48) = ( 0.1052632 0.5000000 0.0000000), wk = 0.0026042 k( 49) = ( 0.1184210 0.5000000 0.0000000), wk = 0.0026042 k( 50) = ( 0.1315790 0.5000000 -0.0000000), wk = 0.0026042 k( 51) = ( 0.1447368 0.5000000 0.0000000), wk = 0.0026042 k( 52) = ( 0.1578947 0.5000000 0.0000000), wk = 0.0026042 k( 53) = ( 0.1710526 0.5000000 -0.0000000), wk = 0.0026042 k( 54) = ( 0.1842105 0.5000000 -0.0000000), wk = 0.0026042 k( 55) = ( 0.1973684 0.5000000 -0.0000000), wk = 0.0026042 k( 56) = ( 0.2105263 0.5000000 0.0000000), wk = 0.0026042 k( 57) = ( 0.2236842 0.5000000 0.0000000), wk = 0.0026042 k( 58) = ( 0.2368421 0.5000000 0.0000000), wk = 0.0026042 k( 59) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0026042 k( 60) = ( 0.2631579 0.5000000 0.0000000), wk = 0.0026042 k( 61) = ( 0.2763158 0.5000000 -0.0000000), wk = 0.0026042 k( 62) = ( 0.2894737 0.5000000 0.0000000), wk = 0.0026042 k( 63) = ( 0.3026316 0.5000000 -0.0000000), wk = 0.0026042 k( 64) = ( 0.3157895 0.5000000 -0.0000000), wk = 0.0026042 k( 65) = ( 0.3289474 0.5000000 0.0000000), wk = 0.0026042 k( 66) = ( 0.3421053 0.5000000 -0.0000000), wk = 0.0026042 k( 67) = ( 0.3552632 0.5000000 -0.0000000), wk = 0.0026042 k( 68) = ( 0.3684211 0.5000000 0.0000000), wk = 0.0026042 k( 69) = ( 0.3815789 0.5000000 -0.0000000), wk = 0.0026042 k( 70) = ( 0.3947368 0.5000000 -0.0000000), wk = 0.0026042 k( 71) = ( 0.4078947 0.5000000 0.0000000), wk = 0.0026042 k( 72) = ( 0.4210526 0.5000000 -0.0000000), wk = 0.0026042 k( 73) = ( 0.4342105 0.5000000 -0.0000000), wk = 0.0026042 k( 74) = ( 0.4473684 0.5000000 0.0000000), wk = 0.0026042 k( 75) = ( 0.4605263 0.5000000 -0.0000000), wk = 0.0026042 k( 76) = ( 0.4736842 0.5000000 -0.0000000), wk = 0.0026042 k( 77) = ( 0.4868421 0.5000000 0.0000000), wk = 0.0026042 k( 78) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026042 k( 79) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026042 k( 80) = ( 0.4905660 0.4905660 0.0000000), wk = 0.0026042 k( 81) = ( 0.4811321 0.4811321 0.0000000), wk = 0.0026042 k( 82) = ( 0.4716981 0.4716981 -0.0000000), wk = 0.0026042 k( 83) = ( 0.4622641 0.4622641 0.0000000), wk = 0.0026042 k( 84) = ( 0.4528302 0.4528302 -0.0000000), wk = 0.0026042 k( 85) = ( 0.4433962 0.4433962 -0.0000000), wk = 0.0026042 k( 86) = ( 0.4339623 0.4339623 0.0000000), wk = 0.0026042 k( 87) = ( 0.4245283 0.4245283 0.0000000), wk = 0.0026042 k( 88) = ( 0.4150943 0.4150943 -0.0000000), wk = 0.0026042 k( 89) = ( 0.4056604 0.4056604 -0.0000000), wk = 0.0026042 k( 90) = ( 0.3962264 0.3962264 -0.0000000), wk = 0.0026042 k( 91) = ( 0.3867925 0.3867925 -0.0000000), wk = 0.0026042 k( 92) = ( 0.3773585 0.3773585 -0.0000000), wk = 0.0026042 k( 93) = ( 0.3679245 0.3679245 0.0000000), wk = 0.0026042 k( 94) = ( 0.3584906 0.3584906 0.0000000), wk = 0.0026042 k( 95) = ( 0.3490566 0.3490566 -0.0000000), wk = 0.0026042 k( 96) = ( 0.3396226 0.3396226 0.0000000), wk = 0.0026042 k( 97) = ( 0.3301887 0.3301887 0.0000000), wk = 0.0026042 k( 98) = ( 0.3207547 0.3207547 0.0000000), wk = 0.0026042 k( 99) = ( 0.3113207 0.3113207 -0.0000000), wk = 0.0026042 k( 100) = ( 0.3018868 0.3018868 -0.0000000), wk = 0.0026042 k( 101) = ( 0.2924528 0.2924528 -0.0000000), wk = 0.0026042 k( 102) = ( 0.2830189 0.2830189 -0.0000000), wk = 0.0026042 k( 103) = ( 0.2735849 0.2735849 -0.0000000), wk = 0.0026042 k( 104) = ( 0.2641509 0.2641509 0.0000000), wk = 0.0026042 k( 105) = ( 0.2547170 0.2547170 0.0000000), wk = 0.0026042 k( 106) = ( 0.2452830 0.2452830 0.0000000), wk = 0.0026042 k( 107) = ( 0.2358491 0.2358491 0.0000000), wk = 0.0026042 k( 108) = ( 0.2264151 0.2264151 -0.0000000), wk = 0.0026042 k( 109) = ( 0.2169811 0.2169811 0.0000000), wk = 0.0026042 k( 110) = ( 0.2075472 0.2075472 -0.0000000), wk = 0.0026042 k( 111) = ( 0.1981132 0.1981132 -0.0000000), wk = 0.0026042 k( 112) = ( 0.1886792 0.1886792 0.0000000), wk = 0.0026042 k( 113) = ( 0.1792453 0.1792453 -0.0000000), wk = 0.0026042 k( 114) = ( 0.1698113 0.1698113 0.0000000), wk = 0.0026042 k( 115) = ( 0.1603774 0.1603774 0.0000000), wk = 0.0026042 k( 116) = ( 0.1509434 0.1509434 0.0000000), wk = 0.0026042 k( 117) = ( 0.1415094 0.1415094 -0.0000000), wk = 0.0026042 k( 118) = ( 0.1320755 0.1320755 0.0000000), wk = 0.0026042 k( 119) = ( 0.1226415 0.1226415 0.0000000), wk = 0.0026042 k( 120) = ( 0.1132076 0.1132076 -0.0000000), wk = 0.0026042 k( 121) = ( 0.1037736 0.1037736 -0.0000000), wk = 0.0026042 k( 122) = ( 0.0943396 0.0943396 0.0000000), wk = 0.0026042 k( 123) = ( 0.0849057 0.0849057 0.0000000), wk = 0.0026042 k( 124) = ( 0.0754717 0.0754717 0.0000000), wk = 0.0026042 k( 125) = ( 0.0660377 0.0660377 -0.0000000), wk = 0.0026042 k( 126) = ( 0.0566038 0.0566038 0.0000000), wk = 0.0026042 k( 127) = ( 0.0471698 0.0471698 0.0000000), wk = 0.0026042 k( 128) = ( 0.0377359 0.0377359 0.0000000), wk = 0.0026042 k( 129) = ( 0.0283019 0.0283019 0.0000000), wk = 0.0026042 k( 130) = ( 0.0188679 0.0188679 0.0000000), wk = 0.0026042 k( 131) = ( 0.0094340 0.0094340 0.0000000), wk = 0.0026042 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 133) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0026042 k( 134) = ( 0.0000000 0.0000000 0.0128205), wk = 0.0026042 k( 135) = ( 0.0000000 0.0000000 0.0256410), wk = 0.0026042 k( 136) = ( 0.0000000 0.0000000 0.0384615), wk = 0.0026042 k( 137) = ( 0.0000000 0.0000000 0.0512821), wk = 0.0026042 k( 138) = ( 0.0000000 0.0000000 0.0641026), wk = 0.0026042 k( 139) = ( 0.0000000 0.0000000 0.0769231), wk = 0.0026042 k( 140) = ( 0.0000000 0.0000000 0.0897436), wk = 0.0026042 k( 141) = ( 0.0000000 0.0000000 0.1025641), wk = 0.0026042 k( 142) = ( 0.0000000 0.0000000 0.1153846), wk = 0.0026042 k( 143) = ( 0.0000000 0.0000000 0.1282051), wk = 0.0026042 k( 144) = ( 0.0000000 0.0000000 0.1410256), wk = 0.0026042 k( 145) = ( 0.0000000 0.0000000 0.1538461), wk = 0.0026042 k( 146) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0026042 k( 147) = ( 0.0000000 0.0000000 0.1794872), wk = 0.0026042 k( 148) = ( 0.0000000 0.0000000 0.1923077), wk = 0.0026042 k( 149) = ( 0.0000000 0.0000000 0.2051282), wk = 0.0026042 k( 150) = ( 0.0000000 0.0000000 0.2179487), wk = 0.0026042 k( 151) = ( 0.0000000 0.0000000 0.2307692), wk = 0.0026042 k( 152) = ( 0.0000000 0.0000000 0.2435897), wk = 0.0026042 k( 153) = ( 0.0000000 0.0000000 0.2564103), wk = 0.0026042 k( 154) = ( 0.0000000 0.0000000 0.2692308), wk = 0.0026042 k( 155) = ( 0.0000000 0.0000000 0.2820513), wk = 0.0026042 k( 156) = ( 0.0000000 0.0000000 0.2948718), wk = 0.0026042 k( 157) = ( 0.0000000 0.0000000 0.3076923), wk = 0.0026042 k( 158) = ( 0.0000000 0.0000000 0.3205128), wk = 0.0026042 k( 159) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0026042 k( 160) = ( 0.0000000 0.0000000 0.3461538), wk = 0.0026042 k( 161) = ( 0.0000000 0.0000000 0.3589744), wk = 0.0026042 k( 162) = ( 0.0000000 0.0000000 0.3717949), wk = 0.0026042 k( 163) = ( 0.0000000 0.0000000 0.3846154), wk = 0.0026042 k( 164) = ( 0.0000000 0.0000000 0.3974359), wk = 0.0026042 k( 165) = ( 0.0000000 0.0000000 0.4102564), wk = 0.0026042 k( 166) = ( 0.0000000 0.0000000 0.4230769), wk = 0.0026042 k( 167) = ( 0.0000000 0.0000000 0.4358974), wk = 0.0026042 k( 168) = ( 0.0000000 0.0000000 0.4487179), wk = 0.0026042 k( 169) = ( 0.0000000 0.0000000 0.4615385), wk = 0.0026042 k( 170) = ( 0.0000000 0.0000000 0.4743590), wk = 0.0026042 k( 171) = ( 0.0000000 0.0000000 0.4871795), wk = 0.0026042 k( 172) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026042 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026042 k( 174) = ( 0.0000000 0.0131579 0.5000000), wk = 0.0026042 k( 175) = ( 0.0000000 0.0263158 0.5000000), wk = 0.0026042 k( 176) = ( 0.0000000 0.0394737 0.5000000), wk = 0.0026042 k( 177) = ( 0.0000000 0.0526316 0.5000000), wk = 0.0026042 k( 178) = ( 0.0000000 0.0657895 0.5000000), wk = 0.0026042 k( 179) = ( 0.0000000 0.0789474 0.5000000), wk = 0.0026042 k( 180) = ( 0.0000000 0.0921053 0.5000000), wk = 0.0026042 k( 181) = ( 0.0000000 0.1052632 0.5000000), wk = 0.0026042 k( 182) = ( 0.0000000 0.1184210 0.5000000), wk = 0.0026042 k( 183) = ( 0.0000000 0.1315790 0.5000000), wk = 0.0026042 k( 184) = ( 0.0000000 0.1447368 0.5000000), wk = 0.0026042 k( 185) = ( 0.0000000 0.1578947 0.5000000), wk = 0.0026042 k( 186) = ( 0.0000000 0.1710526 0.5000000), wk = 0.0026042 k( 187) = ( 0.0000000 0.1842105 0.5000000), wk = 0.0026042 k( 188) = ( 0.0000000 0.1973684 0.5000000), wk = 0.0026042 k( 189) = ( 0.0000000 0.2105263 0.5000000), wk = 0.0026042 k( 190) = ( 0.0000000 0.2236842 0.5000000), wk = 0.0026042 k( 191) = ( 0.0000000 0.2368421 0.5000000), wk = 0.0026042 k( 192) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0026042 k( 193) = ( 0.0000000 0.2631579 0.5000000), wk = 0.0026042 k( 194) = ( 0.0000000 0.2763158 0.5000000), wk = 0.0026042 k( 195) = ( 0.0000000 0.2894737 0.5000000), wk = 0.0026042 k( 196) = ( 0.0000000 0.3026316 0.5000000), wk = 0.0026042 k( 197) = ( 0.0000000 0.3157895 0.5000000), wk = 0.0026042 k( 198) = ( 0.0000000 0.3289474 0.5000000), wk = 0.0026042 k( 199) = ( 0.0000000 0.3421053 0.5000000), wk = 0.0026042 k( 200) = ( 0.0000000 0.3552632 0.5000000), wk = 0.0026042 k( 201) = ( 0.0000000 0.3684211 0.5000000), wk = 0.0026042 k( 202) = ( 0.0000000 0.3815789 0.5000000), wk = 0.0026042 k( 203) = ( 0.0000000 0.3947368 0.5000000), wk = 0.0026042 k( 204) = ( 0.0000000 0.4078947 0.5000000), wk = 0.0026042 k( 205) = ( 0.0000000 0.4210526 0.5000000), wk = 0.0026042 k( 206) = ( 0.0000000 0.4342105 0.5000000), wk = 0.0026042 k( 207) = ( 0.0000000 0.4473684 0.5000000), wk = 0.0026042 k( 208) = ( 0.0000000 0.4605263 0.5000000), wk = 0.0026042 k( 209) = ( 0.0000000 0.4736842 0.5000000), wk = 0.0026042 k( 210) = ( 0.0000000 0.4868421 0.5000000), wk = 0.0026042 k( 211) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026042 k( 212) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026042 k( 213) = ( 0.0131579 0.5000000 0.5000000), wk = 0.0026042 k( 214) = ( 0.0263158 0.5000000 0.5000000), wk = 0.0026042 k( 215) = ( 0.0394737 0.5000000 0.5000000), wk = 0.0026042 k( 216) = ( 0.0526316 0.5000000 0.5000000), wk = 0.0026042 k( 217) = ( 0.0657895 0.5000000 0.5000000), wk = 0.0026042 k( 218) = ( 0.0789474 0.5000000 0.5000000), wk = 0.0026042 k( 219) = ( 0.0921053 0.5000000 0.5000000), wk = 0.0026042 k( 220) = ( 0.1052632 0.5000000 0.5000000), wk = 0.0026042 k( 221) = ( 0.1184210 0.5000000 0.5000000), wk = 0.0026042 k( 222) = ( 0.1315790 0.5000000 0.5000000), wk = 0.0026042 k( 223) = ( 0.1447368 0.5000000 0.5000000), wk = 0.0026042 k( 224) = ( 0.1578947 0.5000000 0.5000000), wk = 0.0026042 k( 225) = ( 0.1710526 0.5000000 0.5000000), wk = 0.0026042 k( 226) = ( 0.1842105 0.5000000 0.5000000), wk = 0.0026042 k( 227) = ( 0.1973684 0.5000000 0.5000000), wk = 0.0026042 k( 228) = ( 0.2105263 0.5000000 0.5000000), wk = 0.0026042 k( 229) = ( 0.2236842 0.5000000 0.5000000), wk = 0.0026042 k( 230) = ( 0.2368421 0.5000000 0.5000000), wk = 0.0026042 k( 231) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0026042 k( 232) = ( 0.2631579 0.5000000 0.5000000), wk = 0.0026042 k( 233) = ( 0.2763158 0.5000000 0.5000000), wk = 0.0026042 k( 234) = ( 0.2894737 0.5000000 0.5000000), wk = 0.0026042 k( 235) = ( 0.3026316 0.5000000 0.5000000), wk = 0.0026042 k( 236) = ( 0.3157895 0.5000000 0.5000000), wk = 0.0026042 k( 237) = ( 0.3289474 0.5000000 0.5000000), wk = 0.0026042 k( 238) = ( 0.3421053 0.5000000 0.5000000), wk = 0.0026042 k( 239) = ( 0.3552632 0.5000000 0.5000000), wk = 0.0026042 k( 240) = ( 0.3684211 0.5000000 0.5000000), wk = 0.0026042 k( 241) = ( 0.3815789 0.5000000 0.5000000), wk = 0.0026042 k( 242) = ( 0.3947368 0.5000000 0.5000000), wk = 0.0026042 k( 243) = ( 0.4078947 0.5000000 0.5000000), wk = 0.0026042 k( 244) = ( 0.4210526 0.5000000 0.5000000), wk = 0.0026042 k( 245) = ( 0.4342105 0.5000000 0.5000000), wk = 0.0026042 k( 246) = ( 0.4473684 0.5000000 0.5000000), wk = 0.0026042 k( 247) = ( 0.4605263 0.5000000 0.5000000), wk = 0.0026042 k( 248) = ( 0.4736842 0.5000000 0.5000000), wk = 0.0026042 k( 249) = ( 0.4868421 0.5000000 0.5000000), wk = 0.0026042 k( 250) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026042 k( 251) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026042 k( 252) = ( 0.4905660 0.4905660 0.5000000), wk = 0.0026042 k( 253) = ( 0.4811321 0.4811321 0.5000000), wk = 0.0026042 k( 254) = ( 0.4716981 0.4716981 0.5000000), wk = 0.0026042 k( 255) = ( 0.4622641 0.4622641 0.5000000), wk = 0.0026042 k( 256) = ( 0.4528302 0.4528302 0.5000000), wk = 0.0026042 k( 257) = ( 0.4433962 0.4433962 0.5000000), wk = 0.0026042 k( 258) = ( 0.4339623 0.4339623 0.5000000), wk = 0.0026042 k( 259) = ( 0.4245283 0.4245283 0.5000000), wk = 0.0026042 k( 260) = ( 0.4150943 0.4150943 0.5000000), wk = 0.0026042 k( 261) = ( 0.4056604 0.4056604 0.5000000), wk = 0.0026042 k( 262) = ( 0.3962264 0.3962264 0.5000000), wk = 0.0026042 k( 263) = ( 0.3867925 0.3867925 0.5000000), wk = 0.0026042 k( 264) = ( 0.3773585 0.3773585 0.5000000), wk = 0.0026042 k( 265) = ( 0.3679245 0.3679245 0.5000000), wk = 0.0026042 k( 266) = ( 0.3584906 0.3584906 0.5000000), wk = 0.0026042 k( 267) = ( 0.3490566 0.3490566 0.5000000), wk = 0.0026042 k( 268) = ( 0.3396226 0.3396226 0.5000000), wk = 0.0026042 k( 269) = ( 0.3301887 0.3301887 0.5000000), wk = 0.0026042 k( 270) = ( 0.3207547 0.3207547 0.5000000), wk = 0.0026042 k( 271) = ( 0.3113207 0.3113207 0.5000000), wk = 0.0026042 k( 272) = ( 0.3018868 0.3018868 0.5000000), wk = 0.0026042 k( 273) = ( 0.2924528 0.2924528 0.5000000), wk = 0.0026042 k( 274) = ( 0.2830189 0.2830189 0.5000000), wk = 0.0026042 k( 275) = ( 0.2735849 0.2735849 0.5000000), wk = 0.0026042 k( 276) = ( 0.2641509 0.2641509 0.5000000), wk = 0.0026042 k( 277) = ( 0.2547170 0.2547170 0.5000000), wk = 0.0026042 k( 278) = ( 0.2452830 0.2452830 0.5000000), wk = 0.0026042 k( 279) = ( 0.2358491 0.2358491 0.5000000), wk = 0.0026042 k( 280) = ( 0.2264151 0.2264151 0.5000000), wk = 0.0026042 k( 281) = ( 0.2169811 0.2169811 0.5000000), wk = 0.0026042 k( 282) = ( 0.2075472 0.2075472 0.5000000), wk = 0.0026042 k( 283) = ( 0.1981132 0.1981132 0.5000000), wk = 0.0026042 k( 284) = ( 0.1886792 0.1886792 0.5000000), wk = 0.0026042 k( 285) = ( 0.1792453 0.1792453 0.5000000), wk = 0.0026042 k( 286) = ( 0.1698113 0.1698113 0.5000000), wk = 0.0026042 k( 287) = ( 0.1603774 0.1603774 0.5000000), wk = 0.0026042 k( 288) = ( 0.1509434 0.1509434 0.5000000), wk = 0.0026042 k( 289) = ( 0.1415094 0.1415094 0.5000000), wk = 0.0026042 k( 290) = ( 0.1320755 0.1320755 0.5000000), wk = 0.0026042 k( 291) = ( 0.1226415 0.1226415 0.5000000), wk = 0.0026042 k( 292) = ( 0.1132076 0.1132076 0.5000000), wk = 0.0026042 k( 293) = ( 0.1037736 0.1037736 0.5000000), wk = 0.0026042 k( 294) = ( 0.0943396 0.0943396 0.5000000), wk = 0.0026042 k( 295) = ( 0.0849057 0.0849057 0.5000000), wk = 0.0026042 k( 296) = ( 0.0754717 0.0754717 0.5000000), wk = 0.0026042 k( 297) = ( 0.0660377 0.0660377 0.5000000), wk = 0.0026042 k( 298) = ( 0.0566038 0.0566038 0.5000000), wk = 0.0026042 k( 299) = ( 0.0471698 0.0471698 0.5000000), wk = 0.0026042 k( 300) = ( 0.0377359 0.0377359 0.5000000), wk = 0.0026042 k( 301) = ( 0.0283019 0.0283019 0.5000000), wk = 0.0026042 k( 302) = ( 0.0188679 0.0188679 0.5000000), wk = 0.0026042 k( 303) = ( 0.0094340 0.0094340 0.5000000), wk = 0.0026042 k( 304) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0026042 k( 305) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0026042 k( 306) = ( 0.0000000 0.5000000 0.0128205), wk = 0.0026042 k( 307) = ( 0.0000000 0.5000000 0.0256410), wk = 0.0026042 k( 308) = ( 0.0000000 0.5000000 0.0384615), wk = 0.0026042 k( 309) = ( 0.0000000 0.5000000 0.0512821), wk = 0.0026042 k( 310) = ( 0.0000000 0.5000000 0.0641026), wk = 0.0026042 k( 311) = ( 0.0000000 0.5000000 0.0769231), wk = 0.0026042 k( 312) = ( 0.0000000 0.5000000 0.0897436), wk = 0.0026042 k( 313) = ( 0.0000000 0.5000000 0.1025641), wk = 0.0026042 k( 314) = ( 0.0000000 0.5000000 0.1153846), wk = 0.0026042 k( 315) = ( 0.0000000 0.5000000 0.1282051), wk = 0.0026042 k( 316) = ( 0.0000000 0.5000000 0.1410256), wk = 0.0026042 k( 317) = ( 0.0000000 0.5000000 0.1538461), wk = 0.0026042 k( 318) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0026042 k( 319) = ( 0.0000000 0.5000000 0.1794872), wk = 0.0026042 k( 320) = ( 0.0000000 0.5000000 0.1923077), wk = 0.0026042 k( 321) = ( 0.0000000 0.5000000 0.2051282), wk = 0.0026042 k( 322) = ( 0.0000000 0.5000000 0.2179487), wk = 0.0026042 k( 323) = ( 0.0000000 0.5000000 0.2307692), wk = 0.0026042 k( 324) = ( 0.0000000 0.5000000 0.2435897), wk = 0.0026042 k( 325) = ( 0.0000000 0.5000000 0.2564103), wk = 0.0026042 k( 326) = ( 0.0000000 0.5000000 0.2692308), wk = 0.0026042 k( 327) = ( 0.0000000 0.5000000 0.2820513), wk = 0.0026042 k( 328) = ( 0.0000000 0.5000000 0.2948718), wk = 0.0026042 k( 329) = ( 0.0000000 0.5000000 0.3076923), wk = 0.0026042 k( 330) = ( 0.0000000 0.5000000 0.3205128), wk = 0.0026042 k( 331) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0026042 k( 332) = ( 0.0000000 0.5000000 0.3461538), wk = 0.0026042 k( 333) = ( 0.0000000 0.5000000 0.3589744), wk = 0.0026042 k( 334) = ( 0.0000000 0.5000000 0.3717949), wk = 0.0026042 k( 335) = ( 0.0000000 0.5000000 0.3846154), wk = 0.0026042 k( 336) = ( 0.0000000 0.5000000 0.3974359), wk = 0.0026042 k( 337) = ( 0.0000000 0.5000000 0.4102564), wk = 0.0026042 k( 338) = ( 0.0000000 0.5000000 0.4230769), wk = 0.0026042 k( 339) = ( 0.0000000 0.5000000 0.4358974), wk = 0.0026042 k( 340) = ( 0.0000000 0.5000000 0.4487179), wk = 0.0026042 k( 341) = ( 0.0000000 0.5000000 0.4615385), wk = 0.0026042 k( 342) = ( 0.0000000 0.5000000 0.4743590), wk = 0.0026042 k( 343) = ( 0.0000000 0.5000000 0.4871795), wk = 0.0026042 k( 344) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0026042 k( 345) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0026042 k( 346) = ( 0.5000000 0.5000000 0.0128205), wk = 0.0026042 k( 347) = ( 0.5000000 0.5000000 0.0256410), wk = 0.0026042 k( 348) = ( 0.5000000 0.5000000 0.0384615), wk = 0.0026042 k( 349) = ( 0.5000000 0.5000000 0.0512821), wk = 0.0026042 k( 350) = ( 0.5000000 0.5000000 0.0641026), wk = 0.0026042 k( 351) = ( 0.5000000 0.5000000 0.0769231), wk = 0.0026042 k( 352) = ( 0.5000000 0.5000000 0.0897436), wk = 0.0026042 k( 353) = ( 0.5000000 0.5000000 0.1025641), wk = 0.0026042 k( 354) = ( 0.5000000 0.5000000 0.1153846), wk = 0.0026042 k( 355) = ( 0.5000000 0.5000000 0.1282051), wk = 0.0026042 k( 356) = ( 0.5000000 0.5000000 0.1410256), wk = 0.0026042 k( 357) = ( 0.5000000 0.5000000 0.1538461), wk = 0.0026042 k( 358) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0026042 k( 359) = ( 0.5000000 0.5000000 0.1794872), wk = 0.0026042 k( 360) = ( 0.5000000 0.5000000 0.1923077), wk = 0.0026042 k( 361) = ( 0.5000000 0.5000000 0.2051282), wk = 0.0026042 k( 362) = ( 0.5000000 0.5000000 0.2179487), wk = 0.0026042 k( 363) = ( 0.5000000 0.5000000 0.2307692), wk = 0.0026042 k( 364) = ( 0.5000000 0.5000000 0.2435897), wk = 0.0026042 k( 365) = ( 0.5000000 0.5000000 0.2564103), wk = 0.0026042 k( 366) = ( 0.5000000 0.5000000 0.2692308), wk = 0.0026042 k( 367) = ( 0.5000000 0.5000000 0.2820513), wk = 0.0026042 k( 368) = ( 0.5000000 0.5000000 0.2948718), wk = 0.0026042 k( 369) = ( 0.5000000 0.5000000 0.3076923), wk = 0.0026042 k( 370) = ( 0.5000000 0.5000000 0.3205128), wk = 0.0026042 k( 371) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0026042 k( 372) = ( 0.5000000 0.5000000 0.3461538), wk = 0.0026042 k( 373) = ( 0.5000000 0.5000000 0.3589744), wk = 0.0026042 k( 374) = ( 0.5000000 0.5000000 0.3717949), wk = 0.0026042 k( 375) = ( 0.5000000 0.5000000 0.3846154), wk = 0.0026042 k( 376) = ( 0.5000000 0.5000000 0.3974359), wk = 0.0026042 k( 377) = ( 0.5000000 0.5000000 0.4102564), wk = 0.0026042 k( 378) = ( 0.5000000 0.5000000 0.4230769), wk = 0.0026042 k( 379) = ( 0.5000000 0.5000000 0.4358974), wk = 0.0026042 k( 380) = ( 0.5000000 0.5000000 0.4487179), wk = 0.0026042 k( 381) = ( 0.5000000 0.5000000 0.4615385), wk = 0.0026042 k( 382) = ( 0.5000000 0.5000000 0.4743590), wk = 0.0026042 k( 383) = ( 0.5000000 0.5000000 0.4871795), wk = 0.0026042 k( 384) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0026042 Dense grid: 134639 G-vectors FFT dimensions: ( 72, 72, 64) Smooth grid: 47773 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.30 Mb ( 334, 58) NL pseudopotentials 0.35 Mb ( 167, 136) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.03 Mb ( 3740) G-vector shells 0.01 Mb ( 1743) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.18 Mb ( 334, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.24 Mb ( 136, 2, 58) The potential is recalculated from file : ./TiCdHg2.save/charge-density.dat Starting wfc are 54 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.9 secs Computing kpt #: 2 total cpu time spent up to now is 5.9 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 7.7 secs Computing kpt #: 5 total cpu time spent up to now is 8.6 secs Computing kpt #: 6 total cpu time spent up to now is 9.5 secs Computing kpt #: 7 total cpu time spent up to now is 10.5 secs Computing kpt #: 8 total cpu time spent up to now is 11.5 secs Computing kpt #: 9 total cpu time spent up to now is 12.4 secs Computing kpt #: 10 total cpu time spent up to now is 13.4 secs Computing kpt #: 11 total cpu time spent up to now is 14.4 secs Computing kpt #: 12 total cpu time spent up to now is 15.3 secs Computing kpt #: 13 total cpu time spent up to now is 16.3 secs Computing kpt #: 14 total cpu time spent up to now is 17.3 secs Computing kpt #: 15 total cpu time spent up to now is 18.3 secs Computing kpt #: 16 total cpu time spent up to now is 19.3 secs Computing kpt #: 17 total cpu time spent up to now is 20.3 secs Computing kpt #: 18 total cpu time spent up to now is 21.3 secs Computing kpt #: 19 total cpu time spent up to now is 22.2 secs Computing kpt #: 20 total cpu time spent up to now is 23.2 secs Computing kpt #: 21 total cpu time spent up to now is 24.2 secs Computing kpt #: 22 total cpu time spent up to now is 25.2 secs Computing kpt #: 23 total cpu time spent up to now is 26.1 secs Computing kpt #: 24 total cpu time spent up to now is 27.0 secs Computing kpt #: 25 total cpu time spent up to now is 28.0 secs Computing kpt #: 26 total cpu time spent up to now is 29.0 secs Computing kpt #: 27 total cpu time spent up to now is 30.0 secs Computing kpt #: 28 total cpu time spent up to now is 30.9 secs Computing kpt #: 29 total cpu time spent up to now is 31.9 secs Computing kpt #: 30 total cpu time spent up to now is 32.9 secs Computing kpt #: 31 total cpu time spent up to now is 33.8 secs Computing kpt #: 32 total cpu time spent up to now is 34.8 secs Computing kpt #: 33 total cpu time spent up to now is 35.8 secs Computing kpt #: 34 total cpu time spent up to now is 36.8 secs Computing kpt #: 35 total cpu time spent up to now is 37.8 secs Computing kpt #: 36 total cpu time spent up to now is 38.9 secs Computing kpt #: 37 total cpu time spent up to now is 40.1 secs Computing kpt #: 38 total cpu time spent up to now is 41.4 secs Computing kpt #: 39 total cpu time spent up to now is 42.9 secs Computing kpt #: 40 total cpu time spent up to now is 44.1 secs Computing kpt #: 41 total cpu time spent up to now is 45.3 secs Computing kpt #: 42 total cpu time spent up to now is 46.8 secs Computing kpt #: 43 total cpu time spent up to now is 48.0 secs Computing kpt #: 44 total cpu time spent up to now is 49.4 secs Computing kpt #: 45 total cpu time spent up to now is 50.8 secs Computing kpt #: 46 total cpu time spent up to now is 52.1 secs Computing kpt #: 47 total cpu time spent up to now is 53.4 secs Computing kpt #: 48 total cpu time spent up to now is 54.7 secs Computing kpt #: 49 total cpu time spent up to now is 56.0 secs Computing kpt #: 50 total cpu time spent up to now is 57.3 secs Computing kpt #: 51 total cpu time spent up to now is 58.4 secs Computing kpt #: 52 total cpu time spent up to now is 59.4 secs Computing kpt #: 53 total cpu time spent up to now is 60.4 secs Computing kpt #: 54 total cpu time spent up to now is 61.4 secs Computing kpt #: 55 total cpu time spent up to now is 62.5 secs Computing kpt #: 56 total cpu time spent up to now is 63.5 secs Computing kpt #: 57 total cpu time spent up to now is 64.5 secs Computing kpt #: 58 total cpu time spent up to now is 65.6 secs Computing kpt #: 59 total cpu time spent up to now is 66.6 secs Computing kpt #: 60 total cpu time spent up to now is 67.6 secs Computing kpt #: 61 total cpu time spent up to now is 68.7 secs Computing kpt #: 62 total cpu time spent up to now is 69.7 secs Computing kpt #: 63 total cpu time spent up to now is 70.7 secs Computing kpt #: 64 total cpu time spent up to now is 71.8 secs Computing kpt #: 65 total cpu time spent up to now is 72.8 secs Computing kpt #: 66 total cpu time spent up to now is 73.9 secs Computing kpt #: 67 total cpu time spent up to now is 75.0 secs Computing kpt #: 68 total cpu time spent up to now is 76.0 secs Computing kpt #: 69 total cpu time spent up to now is 77.1 secs Computing kpt #: 70 total cpu time spent up to now is 78.1 secs Computing kpt #: 71 total cpu time spent up to now is 79.2 secs Computing kpt #: 72 total cpu time spent up to now is 80.2 secs Computing kpt #: 73 total cpu time spent up to now is 81.4 secs Computing kpt #: 74 total cpu time spent up to now is 82.4 secs Computing kpt #: 75 total cpu time spent up to now is 83.6 secs Computing kpt #: 76 total cpu time spent up to now is 85.0 secs Computing kpt #: 77 total cpu time spent up to now is 86.6 secs Computing kpt #: 78 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 88.7 secs Computing kpt #: 79 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 90.8 secs Computing kpt #: 80 total cpu time spent up to now is 92.5 secs Computing kpt #: 81 total cpu time spent up to now is 93.8 secs Computing kpt #: 82 total cpu time spent up to now is 95.0 secs Computing kpt #: 83 total cpu time spent up to now is 96.1 secs Computing kpt #: 84 total cpu time spent up to now is 97.2 secs Computing kpt #: 85 total cpu time spent up to now is 98.3 secs Computing kpt #: 86 total cpu time spent up to now is 99.5 secs Computing kpt #: 87 total cpu time spent up to now is 100.7 secs Computing kpt #: 88 total cpu time spent up to now is 101.9 secs Computing kpt #: 89 total cpu time spent up to now is 103.1 secs Computing kpt #: 90 total cpu time spent up to now is 104.4 secs Computing kpt #: 91 total cpu time spent up to now is 105.6 secs Computing kpt #: 92 total cpu time spent up to now is 107.0 secs Computing kpt #: 93 total cpu time spent up to now is 108.3 secs Computing kpt #: 94 total cpu time spent up to now is 109.7 secs Computing kpt #: 95 total cpu time spent up to now is 111.1 secs Computing kpt #: 96 total cpu time spent up to now is 112.4 secs Computing kpt #: 97 total cpu time spent up to now is 113.7 secs Computing kpt #: 98 total cpu time spent up to now is 114.9 secs Computing kpt #: 99 total cpu time spent up to now is 116.2 secs Computing kpt #: 100 total cpu time spent up to now is 117.4 secs Computing kpt #: 101 total cpu time spent up to now is 118.6 secs Computing kpt #: 102 total cpu time spent up to now is 119.7 secs Computing kpt #: 103 total cpu time spent up to now is 120.8 secs Computing kpt #: 104 total cpu time spent up to now is 121.9 secs Computing kpt #: 105 total cpu time spent up to now is 122.9 secs Computing kpt #: 106 total cpu time spent up to now is 123.9 secs Computing kpt #: 107 total cpu time spent up to now is 124.9 secs Computing kpt #: 108 total cpu time spent up to now is 126.0 secs Computing kpt #: 109 total cpu time spent up to now is 126.9 secs Computing kpt #: 110 total cpu time spent up to now is 127.9 secs Computing kpt #: 111 total cpu time spent up to now is 128.8 secs Computing kpt #: 112 total cpu time spent up to now is 129.7 secs Computing kpt #: 113 total cpu time spent up to now is 130.7 secs Computing kpt #: 114 total cpu time spent up to now is 131.6 secs Computing kpt #: 115 total cpu time spent up to now is 132.6 secs Computing kpt #: 116 total cpu time spent up to now is 133.6 secs Computing kpt #: 117 total cpu time spent up to now is 134.9 secs Computing kpt #: 118 total cpu time spent up to now is 136.2 secs Computing kpt #: 119 total cpu time spent up to now is 137.5 secs Computing kpt #: 120 total cpu time spent up to now is 138.6 secs Computing kpt #: 121 total cpu time spent up to now is 139.6 secs Computing kpt #: 122 total cpu time spent up to now is 140.6 secs Computing kpt #: 123 total cpu time spent up to now is 141.6 secs Computing kpt #: 124 total cpu time spent up to now is 142.5 secs Computing kpt #: 125 total cpu time spent up to now is 143.5 secs Computing kpt #: 126 total cpu time spent up to now is 144.4 secs Computing kpt #: 127 total cpu time spent up to now is 145.3 secs Computing kpt #: 128 total cpu time spent up to now is 146.2 secs Computing kpt #: 129 total cpu time spent up to now is 147.1 secs Computing kpt #: 130 total cpu time spent up to now is 148.0 secs Computing kpt #: 131 total cpu time spent up to now is 149.0 secs Computing kpt #: 132 total cpu time spent up to now is 149.8 secs Computing kpt #: 133 total cpu time spent up to now is 150.7 secs Computing kpt #: 134 total cpu time spent up to now is 151.6 secs Computing kpt #: 135 total cpu time spent up to now is 152.5 secs Computing kpt #: 136 total cpu time spent up to now is 153.4 secs Computing kpt #: 137 total cpu time spent up to now is 154.3 secs Computing kpt #: 138 total cpu time spent up to now is 155.3 secs Computing kpt #: 139 total cpu time spent up to now is 156.2 secs Computing kpt #: 140 total cpu time spent up to now is 157.1 secs Computing kpt #: 141 total cpu time spent up to now is 158.1 secs Computing kpt #: 142 total cpu time spent up to now is 159.1 secs Computing kpt #: 143 total cpu time spent up to now is 160.0 secs Computing kpt #: 144 total cpu time spent up to now is 161.0 secs Computing kpt #: 145 total cpu time spent up to now is 162.0 secs Computing kpt #: 146 total cpu time spent up to now is 163.0 secs Computing kpt #: 147 total cpu time spent up to now is 163.9 secs Computing kpt #: 148 total cpu time spent up to now is 164.9 secs Computing kpt #: 149 total cpu time spent up to now is 165.7 secs Computing kpt #: 150 total cpu time spent up to now is 166.6 secs Computing kpt #: 151 total cpu time spent up to now is 167.5 secs Computing kpt #: 152 total cpu time spent up to now is 168.4 secs Computing kpt #: 153 total cpu time spent up to now is 169.3 secs Computing kpt #: 154 total cpu time spent up to now is 170.2 secs Computing kpt #: 155 total cpu time spent up to now is 171.1 secs Computing kpt #: 156 total cpu time spent up to now is 172.0 secs Computing kpt #: 157 total cpu time spent up to now is 172.9 secs Computing kpt #: 158 total cpu time spent up to now is 173.9 secs Computing kpt #: 159 total cpu time spent up to now is 174.9 secs Computing kpt #: 160 total cpu time spent up to now is 175.9 secs Computing kpt #: 161 total cpu time spent up to now is 176.9 secs Computing kpt #: 162 total cpu time spent up to now is 178.0 secs Computing kpt #: 163 total cpu time spent up to now is 179.0 secs Computing kpt #: 164 total cpu time spent up to now is 180.0 secs Computing kpt #: 165 total cpu time spent up to now is 181.1 secs Computing kpt #: 166 total cpu time spent up to now is 182.1 secs Computing kpt #: 167 total cpu time spent up to now is 183.2 secs Computing kpt #: 168 total cpu time spent up to now is 184.3 secs Computing kpt #: 169 total cpu time spent up to now is 185.4 secs Computing kpt #: 170 total cpu time spent up to now is 186.6 secs Computing kpt #: 171 total cpu time spent up to now is 187.7 secs Computing kpt #: 172 total cpu time spent up to now is 188.9 secs Computing kpt #: 173 total cpu time spent up to now is 190.2 secs Computing kpt #: 174 total cpu time spent up to now is 191.3 secs Computing kpt #: 175 total cpu time spent up to now is 192.4 secs Computing kpt #: 176 total cpu time spent up to now is 193.6 secs Computing kpt #: 177 total cpu time spent up to now is 194.8 secs Computing kpt #: 178 total cpu time spent up to now is 195.9 secs Computing kpt #: 179 total cpu time spent up to now is 196.9 secs Computing kpt #: 180 total cpu time spent up to now is 198.0 secs Computing kpt #: 181 total cpu time spent up to now is 199.1 secs Computing kpt #: 182 total cpu time spent up to now is 200.1 secs Computing kpt #: 183 total cpu time spent up to now is 201.2 secs Computing kpt #: 184 total cpu time spent up to now is 202.3 secs Computing kpt #: 185 total cpu time spent up to now is 203.3 secs Computing kpt #: 186 total cpu time spent up to now is 204.3 secs Computing kpt #: 187 total cpu time spent up to now is 205.3 secs Computing kpt #: 188 total cpu time spent up to now is 206.3 secs Computing kpt #: 189 total cpu time spent up to now is 207.4 secs Computing kpt #: 190 total cpu time spent up to now is 208.4 secs Computing kpt #: 191 total cpu time spent up to now is 209.4 secs Computing kpt #: 192 total cpu time spent up to now is 210.3 secs Computing kpt #: 193 total cpu time spent up to now is 211.3 secs Computing kpt #: 194 total cpu time spent up to now is 212.3 secs Computing kpt #: 195 total cpu time spent up to now is 213.2 secs Computing kpt #: 196 total cpu time spent up to now is 214.2 secs Computing kpt #: 197 total cpu time spent up to now is 215.2 secs Computing kpt #: 198 total cpu time spent up to now is 216.1 secs Computing kpt #: 199 total cpu time spent up to now is 217.1 secs Computing kpt #: 200 total cpu time spent up to now is 218.1 secs Computing kpt #: 201 total cpu time spent up to now is 219.1 secs Computing kpt #: 202 total cpu time spent up to now is 220.0 secs Computing kpt #: 203 total cpu time spent up to now is 221.0 secs Computing kpt #: 204 total cpu time spent up to now is 221.9 secs Computing kpt #: 205 total cpu time spent up to now is 222.9 secs Computing kpt #: 206 total cpu time spent up to now is 223.9 secs Computing kpt #: 207 total cpu time spent up to now is 224.8 secs Computing kpt #: 208 total cpu time spent up to now is 225.8 secs Computing kpt #: 209 total cpu time spent up to now is 226.8 secs Computing kpt #: 210 total cpu time spent up to now is 227.9 secs Computing kpt #: 211 total cpu time spent up to now is 228.8 secs Computing kpt #: 212 total cpu time spent up to now is 229.7 secs Computing kpt #: 213 total cpu time spent up to now is 230.6 secs Computing kpt #: 214 total cpu time spent up to now is 231.5 secs Computing kpt #: 215 total cpu time spent up to now is 232.4 secs Computing kpt #: 216 total cpu time spent up to now is 233.3 secs Computing kpt #: 217 total cpu time spent up to now is 234.2 secs Computing kpt #: 218 total cpu time spent up to now is 235.1 secs Computing kpt #: 219 total cpu time spent up to now is 236.0 secs Computing kpt #: 220 total cpu time spent up to now is 237.0 secs Computing kpt #: 221 total cpu time spent up to now is 237.9 secs Computing kpt #: 222 total cpu time spent up to now is 238.9 secs Computing kpt #: 223 total cpu time spent up to now is 239.9 secs Computing kpt #: 224 total cpu time spent up to now is 240.8 secs Computing kpt #: 225 total cpu time spent up to now is 241.8 secs Computing kpt #: 226 total cpu time spent up to now is 242.9 secs Computing kpt #: 227 total cpu time spent up to now is 243.9 secs Computing kpt #: 228 total cpu time spent up to now is 244.9 secs Computing kpt #: 229 total cpu time spent up to now is 246.0 secs Computing kpt #: 230 total cpu time spent up to now is 247.2 secs Computing kpt #: 231 total cpu time spent up to now is 248.4 secs Computing kpt #: 232 total cpu time spent up to now is 249.6 secs Computing kpt #: 233 total cpu time spent up to now is 250.8 secs Computing kpt #: 234 total cpu time spent up to now is 252.1 secs Computing kpt #: 235 total cpu time spent up to now is 253.3 secs Computing kpt #: 236 total cpu time spent up to now is 254.6 secs Computing kpt #: 237 total cpu time spent up to now is 255.9 secs Computing kpt #: 238 total cpu time spent up to now is 257.3 secs Computing kpt #: 239 total cpu time spent up to now is 258.6 secs Computing kpt #: 240 total cpu time spent up to now is 259.9 secs Computing kpt #: 241 total cpu time spent up to now is 261.3 secs Computing kpt #: 242 total cpu time spent up to now is 262.6 secs Computing kpt #: 243 total cpu time spent up to now is 264.0 secs Computing kpt #: 244 total cpu time spent up to now is 265.3 secs Computing kpt #: 245 total cpu time spent up to now is 266.8 secs Computing kpt #: 246 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 269.0 secs Computing kpt #: 247 total cpu time spent up to now is 270.3 secs Computing kpt #: 248 total cpu time spent up to now is 271.5 secs Computing kpt #: 249 total cpu time spent up to now is 273.3 secs Computing kpt #: 250 total cpu time spent up to now is 275.3 secs Computing kpt #: 251 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 277.4 secs Computing kpt #: 252 total cpu time spent up to now is 278.7 secs Computing kpt #: 253 total cpu time spent up to now is 280.3 secs Computing kpt #: 254 total cpu time spent up to now is 282.3 secs Computing kpt #: 255 total cpu time spent up to now is 284.3 secs Computing kpt #: 256 total cpu time spent up to now is 285.9 secs Computing kpt #: 257 total cpu time spent up to now is 287.4 secs Computing kpt #: 258 total cpu time spent up to now is 288.8 secs Computing kpt #: 259 total cpu time spent up to now is 290.3 secs Computing kpt #: 260 total cpu time spent up to now is 291.6 secs Computing kpt #: 261 total cpu time spent up to now is 292.7 secs Computing kpt #: 262 total cpu time spent up to now is 293.8 secs Computing kpt #: 263 total cpu time spent up to now is 294.8 secs Computing kpt #: 264 total cpu time spent up to now is 296.0 secs Computing kpt #: 265 total cpu time spent up to now is 297.0 secs Computing kpt #: 266 total cpu time spent up to now is 298.2 secs Computing kpt #: 267 total cpu time spent up to now is 299.3 secs Computing kpt #: 268 total cpu time spent up to now is 300.4 secs Computing kpt #: 269 total cpu time spent up to now is 301.6 secs Computing kpt #: 270 total cpu time spent up to now is 302.7 secs Computing kpt #: 271 total cpu time spent up to now is 303.8 secs Computing kpt #: 272 total cpu time spent up to now is 305.0 secs Computing kpt #: 273 total cpu time spent up to now is 306.1 secs Computing kpt #: 274 total cpu time spent up to now is 307.2 secs Computing kpt #: 275 total cpu time spent up to now is 308.3 secs Computing kpt #: 276 total cpu time spent up to now is 309.3 secs Computing kpt #: 277 total cpu time spent up to now is 310.3 secs Computing kpt #: 278 total cpu time spent up to now is 311.4 secs Computing kpt #: 279 total cpu time spent up to now is 312.4 secs Computing kpt #: 280 total cpu time spent up to now is 313.4 secs Computing kpt #: 281 total cpu time spent up to now is 314.5 secs Computing kpt #: 282 total cpu time spent up to now is 315.6 secs Computing kpt #: 283 total cpu time spent up to now is 316.7 secs Computing kpt #: 284 total cpu time spent up to now is 317.9 secs Computing kpt #: 285 total cpu time spent up to now is 319.2 secs Computing kpt #: 286 total cpu time spent up to now is 320.5 secs Computing kpt #: 287 total cpu time spent up to now is 321.8 secs Computing kpt #: 288 total cpu time spent up to now is 323.1 secs Computing kpt #: 289 total cpu time spent up to now is 324.3 secs Computing kpt #: 290 total cpu time spent up to now is 325.5 secs Computing kpt #: 291 total cpu time spent up to now is 327.0 secs Computing kpt #: 292 total cpu time spent up to now is 328.6 secs Computing kpt #: 293 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 330.8 secs Computing kpt #: 294 total cpu time spent up to now is 332.2 secs Computing kpt #: 295 total cpu time spent up to now is 333.5 secs Computing kpt #: 296 total cpu time spent up to now is 334.7 secs Computing kpt #: 297 total cpu time spent up to now is 335.8 secs Computing kpt #: 298 total cpu time spent up to now is 337.1 secs Computing kpt #: 299 total cpu time spent up to now is 338.2 secs Computing kpt #: 300 total cpu time spent up to now is 339.4 secs Computing kpt #: 301 total cpu time spent up to now is 340.7 secs Computing kpt #: 302 total cpu time spent up to now is 341.8 secs Computing kpt #: 303 total cpu time spent up to now is 342.9 secs Computing kpt #: 304 total cpu time spent up to now is 344.0 secs Computing kpt #: 305 total cpu time spent up to now is 345.2 secs Computing kpt #: 306 total cpu time spent up to now is 346.4 secs Computing kpt #: 307 total cpu time spent up to now is 347.6 secs Computing kpt #: 308 total cpu time spent up to now is 348.9 secs Computing kpt #: 309 total cpu time spent up to now is 350.3 secs Computing kpt #: 310 total cpu time spent up to now is 351.8 secs Computing kpt #: 311 total cpu time spent up to now is 353.3 secs Computing kpt #: 312 total cpu time spent up to now is 354.8 secs Computing kpt #: 313 total cpu time spent up to now is 356.2 secs Computing kpt #: 314 total cpu time spent up to now is 357.8 secs Computing kpt #: 315 total cpu time spent up to now is 358.8 secs Computing kpt #: 316 total cpu time spent up to now is 359.8 secs Computing kpt #: 317 total cpu time spent up to now is 360.9 secs Computing kpt #: 318 total cpu time spent up to now is 361.9 secs Computing kpt #: 319 total cpu time spent up to now is 362.9 secs Computing kpt #: 320 total cpu time spent up to now is 363.9 secs Computing kpt #: 321 total cpu time spent up to now is 364.9 secs Computing kpt #: 322 total cpu time spent up to now is 365.9 secs Computing kpt #: 323 total cpu time spent up to now is 366.9 secs Computing kpt #: 324 total cpu time spent up to now is 367.9 secs Computing kpt #: 325 total cpu time spent up to now is 368.8 secs Computing kpt #: 326 total cpu time spent up to now is 369.8 secs Computing kpt #: 327 total cpu time spent up to now is 370.8 secs Computing kpt #: 328 total cpu time spent up to now is 371.8 secs Computing kpt #: 329 total cpu time spent up to now is 372.8 secs Computing kpt #: 330 total cpu time spent up to now is 373.7 secs Computing kpt #: 331 total cpu time spent up to now is 374.7 secs Computing kpt #: 332 total cpu time spent up to now is 375.7 secs Computing kpt #: 333 total cpu time spent up to now is 376.7 secs Computing kpt #: 334 total cpu time spent up to now is 377.7 secs Computing kpt #: 335 total cpu time spent up to now is 378.6 secs Computing kpt #: 336 total cpu time spent up to now is 379.6 secs Computing kpt #: 337 total cpu time spent up to now is 380.6 secs Computing kpt #: 338 total cpu time spent up to now is 381.6 secs Computing kpt #: 339 total cpu time spent up to now is 382.6 secs Computing kpt #: 340 total cpu time spent up to now is 383.6 secs Computing kpt #: 341 total cpu time spent up to now is 384.5 secs Computing kpt #: 342 total cpu time spent up to now is 385.6 secs Computing kpt #: 343 total cpu time spent up to now is 386.6 secs Computing kpt #: 344 total cpu time spent up to now is 387.6 secs Computing kpt #: 345 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 389.7 secs Computing kpt #: 346 total cpu time spent up to now is 391.8 secs Computing kpt #: 347 total cpu time spent up to now is 393.8 secs Computing kpt #: 348 total cpu time spent up to now is 395.5 secs Computing kpt #: 349 total cpu time spent up to now is 396.9 secs Computing kpt #: 350 total cpu time spent up to now is 398.3 secs Computing kpt #: 351 total cpu time spent up to now is 399.8 secs Computing kpt #: 352 total cpu time spent up to now is 401.2 secs Computing kpt #: 353 total cpu time spent up to now is 402.4 secs Computing kpt #: 354 total cpu time spent up to now is 403.8 secs Computing kpt #: 355 total cpu time spent up to now is 405.1 secs Computing kpt #: 356 total cpu time spent up to now is 406.5 secs Computing kpt #: 357 total cpu time spent up to now is 407.8 secs Computing kpt #: 358 total cpu time spent up to now is 409.0 secs Computing kpt #: 359 total cpu time spent up to now is 410.2 secs Computing kpt #: 360 total cpu time spent up to now is 411.4 secs Computing kpt #: 361 total cpu time spent up to now is 412.7 secs Computing kpt #: 362 total cpu time spent up to now is 413.9 secs Computing kpt #: 363 total cpu time spent up to now is 415.3 secs Computing kpt #: 364 total cpu time spent up to now is 416.4 secs Computing kpt #: 365 total cpu time spent up to now is 417.7 secs Computing kpt #: 366 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 419.8 secs Computing kpt #: 367 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 422.0 secs Computing kpt #: 368 total cpu time spent up to now is 423.1 secs Computing kpt #: 369 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 425.2 secs Computing kpt #: 370 total cpu time spent up to now is 426.6 secs Computing kpt #: 371 total cpu time spent up to now is 428.0 secs Computing kpt #: 372 total cpu time spent up to now is 429.6 secs Computing kpt #: 373 total cpu time spent up to now is 431.0 secs Computing kpt #: 374 total cpu time spent up to now is 432.4 secs Computing kpt #: 375 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 434.6 secs Computing kpt #: 376 total cpu time spent up to now is 436.0 secs Computing kpt #: 377 total cpu time spent up to now is 437.9 secs Computing kpt #: 378 total cpu time spent up to now is 439.9 secs Computing kpt #: 379 total cpu time spent up to now is 441.3 secs Computing kpt #: 380 total cpu time spent up to now is 442.8 secs Computing kpt #: 381 total cpu time spent up to now is 443.9 secs Computing kpt #: 382 total cpu time spent up to now is 445.0 secs Computing kpt #: 383 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 447.1 secs Computing kpt #: 384 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 449.3 secs ethr = 2.08E-08, avg # of iterations = 38.0 total cpu time spent up to now is 449.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5979 PWs) bands (ev): -42.2083 -42.2083 -18.9029 -18.9029 -18.2588 -18.2588 -18.2371 -18.2371 4.8029 4.8029 5.3506 5.3506 5.3690 5.3690 5.4176 5.4176 5.4689 5.4689 5.6763 5.6763 6.0236 6.0236 6.6092 6.6092 7.2367 7.2367 7.2940 7.2940 7.8557 7.8557 8.2979 8.2979 8.5805 8.5805 8.7771 8.7771 9.1473 9.1473 9.4829 9.4829 14.0576 14.0576 14.1345 14.1345 14.8121 14.8121 15.0434 15.0434 15.0724 15.0724 16.1202 16.1202 16.4417 16.4417 16.4588 16.4588 18.5538 18.5538 k = 0.0000 0.0132-0.0000 ( 5963 PWs) bands (ev): -42.2083 -42.2083 -18.9029 -18.9029 -18.2588 -18.2588 -18.2371 -18.2371 4.8043 4.8043 5.3509 5.3509 5.3694 5.3694 5.4180 5.4180 5.4698 5.4698 5.6768 5.6768 6.0242 6.0242 6.6093 6.6093 7.2365 7.2365 7.2937 7.2937 7.8557 7.8557 8.2976 8.2976 8.5799 8.5799 8.7765 8.7765 9.1465 9.1465 9.4809 9.4809 13.9886 13.9886 14.1888 14.1888 14.8133 14.8133 15.0387 15.0387 15.0838 15.0838 16.1222 16.1222 16.4426 16.4426 16.4597 16.4597 18.5578 18.5578 k = 0.0000 0.0263-0.0000 ( 5957 PWs) bands (ev): -42.2083 -42.2083 -18.9029 -18.9029 -18.2588 -18.2588 -18.2371 -18.2371 4.8085 4.8085 5.3520 5.3520 5.3706 5.3706 5.4192 5.4192 5.4726 5.4726 5.6784 5.6784 6.0258 6.0258 6.6096 6.6096 7.2361 7.2361 7.2930 7.2930 7.8558 7.8558 8.2966 8.2966 8.5781 8.5781 8.7745 8.7745 9.1442 9.1442 9.4747 9.4747 13.8787 13.8787 14.2557 14.2557 14.8166 14.8166 15.0324 15.0324 15.1099 15.1099 16.1279 16.1279 16.4448 16.4448 16.4632 16.4632 18.5692 18.5692 k = 0.0000 0.0395-0.0000 ( 5961 PWs) bands (ev): -42.2083 -42.2083 -18.9029 -18.9029 -18.2589 -18.2589 -18.2372 -18.2372 4.8155 4.8155 5.3538 5.3538 5.3727 5.3727 5.4212 5.4212 5.4773 5.4773 5.6811 5.6811 6.0285 6.0285 6.6100 6.6100 7.2354 7.2354 7.2918 7.2918 7.8559 7.8559 8.2950 8.2950 8.5752 8.5752 8.7712 8.7712 9.1403 9.1403 9.4646 9.4646 13.7538 13.7538 14.3120 14.3120 14.8212 14.8212 15.0281 15.0281 15.1451 15.1451 16.1376 16.1376 16.4465 16.4465 16.4710 16.4710 18.5872 18.5872 k = 0.0000 0.0526-0.0000 ( 5967 PWs) bands (ev): -42.2083 -42.2083 -18.9030 -18.9030 -18.2589 -18.2589 -18.2372 -18.2372 4.8252 4.8252 5.3561 5.3561 5.3758 5.3758 5.4240 5.4240 5.4839 5.4839 5.6848 5.6848 6.0323 6.0323 6.6107 6.6107 7.2343 7.2343 7.2901 7.2901 7.8560 7.8560 8.2927 8.2927 8.5710 8.5710 8.7667 8.7667 9.1350 9.1350 9.4505 9.4505 13.6173 13.6173 14.3583 14.3583 14.8263 14.8263 15.0255 15.0255 15.1869 15.1869 16.1512 16.1512 16.4471 16.4471 16.4839 16.4839 18.6102 18.6102 k = 0.0000 0.0658-0.0000 ( 5967 PWs) bands (ev): -42.2083 -42.2083 -18.9030 -18.9030 -18.2590 -18.2590 -18.2372 -18.2372 4.8375 4.8375 5.3588 5.3588 5.3800 5.3800 5.4274 5.4274 5.4926 5.4926 5.6896 5.6896 6.0372 6.0372 6.6115 6.6115 7.2327 7.2327 7.2882 7.2882 7.8562 7.8562 8.2899 8.2899 8.5655 8.5655 8.7611 8.7611 9.1281 9.1281 9.4326 9.4326 13.4714 13.4714 14.3964 14.3964 14.8314 14.8314 15.0238 15.0238 15.2328 15.2328 16.1688 16.1688 16.4469 16.4469 16.5016 16.5016 18.6358 18.6358 k = 0.0000 0.0789-0.0000 ( 5971 PWs) bands (ev): -42.2083 -42.2083 -18.9031 -18.9031 -18.2591 -18.2591 -18.2373 -18.2373 4.8524 4.8524 5.3618 5.3618 5.3853 5.3853 5.4316 5.4316 5.5033 5.5033 5.6955 5.6955 6.0431 6.0431 6.6125 6.6125 7.2305 7.2305 7.2860 7.2860 7.8565 7.8565 8.2865 8.2865 8.5586 8.5586 8.7545 8.7545 9.1199 9.1199 9.4112 9.4112 13.3176 13.3176 14.4285 14.4285 14.8363 14.8363 15.0227 15.0227 15.2804 15.2804 16.1906 16.1906 16.4462 16.4462 16.5241 16.5241 18.6614 18.6614 k = 0.0000 0.0921-0.0000 ( 5971 PWs) bands (ev): -42.2083 -42.2083 -18.9032 -18.9032 -18.2592 -18.2592 -18.2373 -18.2373 4.8698 4.8698 5.3651 5.3651 5.3918 5.3918 5.4363 5.4363 5.5162 5.5162 5.7024 5.7024 6.0501 6.0501 6.6137 6.6137 7.2275 7.2275 7.2837 7.2837 7.8568 7.8568 8.2825 8.2825 8.5503 8.5503 8.7471 8.7471 9.1104 9.1104 9.3864 9.3864 13.1574 13.1574 14.4561 14.4561 14.8410 14.8410 15.0214 15.0214 15.3277 15.3277 16.2166 16.2166 16.4452 16.4452 16.5514 16.5514 18.6839 18.6839 k = 0.0000 0.1053-0.0000 ( 5975 PWs) bands (ev): -42.2082 -42.2082 -18.9033 -18.9033 -18.2593 -18.2593 -18.2374 -18.2374 4.8895 4.8895 5.3685 5.3685 5.3996 5.3996 5.4417 5.4417 5.5314 5.5314 5.7104 5.7104 6.0580 6.0580 6.6150 6.6150 7.2236 7.2236 7.2815 7.2815 7.8572 7.8572 8.2780 8.2780 8.5404 8.5404 8.7389 8.7389 9.0997 9.0997 9.3584 9.3584 12.9921 12.9921 14.4802 14.4802 14.8457 14.8457 15.0198 15.0198 15.3733 15.3733 16.2469 16.2469 16.4439 16.4439 16.5835 16.5835 18.7003 18.7003 k = 0.0000 0.1184-0.0000 ( 5979 PWs) bands (ev): -42.2082 -42.2082 -18.9033 -18.9033 -18.2595 -18.2595 -18.2374 -18.2374 4.9115 4.9115 5.3721 5.3721 5.4085 5.4085 5.4476 5.4476 5.5488 5.5488 5.7195 5.7195 6.0669 6.0669 6.6165 6.6165 7.2186 7.2186 7.2794 7.2794 7.8576 7.8576 8.2731 8.2731 8.5290 8.5290 8.7302 8.7302 9.0878 9.0878 9.3275 9.3275 12.8225 12.8225 14.5016 14.5016 14.8503 14.8503 15.0176 15.0176 15.4165 15.4165 16.2815 16.2815 16.4425 16.4425 16.6205 16.6205 18.7079 18.7079 k = 0.0000 0.1316-0.0000 ( 5975 PWs) bands (ev): -42.2082 -42.2082 -18.9034 -18.9034 -18.2596 -18.2596 -18.2375 -18.2375 4.9354 4.9354 5.3758 5.3758 5.4186 5.4186 5.4540 5.4540 5.5686 5.5686 5.7296 5.7296 6.0767 6.0767 6.6182 6.6182 7.2124 7.2124 7.2777 7.2777 7.8581 7.8581 8.2678 8.2678 8.5160 8.5160 8.7211 8.7211 9.0749 9.0749 9.2941 9.2941 12.6498 12.6498 14.5205 14.5205 14.8550 14.8550 15.0145 15.0145 15.4568 15.4568 16.3206 16.3206 16.4409 16.4409 16.6626 16.6626 18.7052 18.7052 k = 0.0000 0.1447-0.0000 ( 5969 PWs) bands (ev): -42.2082 -42.2082 -18.9035 -18.9035 -18.2598 -18.2598 -18.2376 -18.2376 4.9612 4.9612 5.3797 5.3797 5.4296 5.4296 5.4611 5.4611 5.5908 5.5908 5.7410 5.7410 6.0873 6.0873 6.6200 6.6200 7.2048 7.2048 7.2762 7.2762 7.8588 7.8588 8.2621 8.2621 8.5013 8.5013 8.7118 8.7118 9.0609 9.0609 9.2584 9.2584 12.4745 12.4745 14.5372 14.5372 14.8598 14.8598 15.0103 15.0103 15.4943 15.4943 16.3639 16.3639 16.4396 16.4396 16.7098 16.7098 18.6914 18.6914 k = 0.0000 0.1579-0.0000 ( 5961 PWs) bands (ev): -42.2082 -42.2082 -18.9037 -18.9037 -18.2599 -18.2599 -18.2377 -18.2377 4.9885 4.9885 5.3838 5.3838 5.4414 5.4414 5.4689 5.4689 5.6153 5.6153 5.7536 5.7536 6.0988 6.0988 6.6220 6.6220 7.1959 7.1959 7.2751 7.2751 7.8595 7.8595 8.2561 8.2561 8.4851 8.4851 8.7022 8.7022 9.0460 9.0460 9.2208 9.2208 12.2975 12.2975 14.5517 14.5517 14.8648 14.8648 15.0050 15.0050 15.5289 15.5289 16.4098 16.4098 16.4403 16.4403 16.7621 16.7621 18.6672 18.6672 k = 0.0000 0.1711-0.0000 ( 5945 PWs) bands (ev): -42.2082 -42.2082 -18.9038 -18.9038 -18.2601 -18.2601 -18.2377 -18.2377 5.0172 5.0172 5.3880 5.3880 5.4538 5.4538 5.4776 5.4776 5.6422 5.6422 5.7676 5.7676 6.1111 6.1111 6.6241 6.6241 7.1857 7.1857 7.2743 7.2743 7.8605 7.8605 8.2499 8.2499 8.4672 8.4672 8.6925 8.6925 9.0302 9.0302 9.1816 9.1816 12.1194 12.1194 14.5639 14.5639 14.8699 14.8699 14.9986 14.9986 15.5609 15.5609 16.4308 16.4308 16.4705 16.4705 16.8195 16.8195 18.6334 18.6334 k = 0.0000 0.1842-0.0000 ( 5957 PWs) bands (ev): -42.2082 -42.2082 -18.9039 -18.9039 -18.2603 -18.2603 -18.2378 -18.2378 5.0468 5.0468 5.3924 5.3924 5.4661 5.4661 5.4876 5.4876 5.6713 5.6713 5.7833 5.7833 6.1240 6.1240 6.6263 6.6263 7.1742 7.1742 7.2737 7.2737 7.8616 7.8616 8.2434 8.2434 8.4479 8.4479 8.6826 8.6826 9.0133 9.0133 9.1415 9.1415 11.9407 11.9407 14.5740 14.5740 14.8751 14.8751 14.9910 14.9910 15.5904 15.5904 16.4304 16.4304 16.5269 16.5269 16.8819 16.8819 18.5917 18.5917 k = 0.0000 0.1974-0.0000 ( 5953 PWs) bands (ev): -42.2082 -42.2082 -18.9040 -18.9040 -18.2605 -18.2605 -18.2379 -18.2379 5.0772 5.0772 5.3969 5.3969 5.4777 5.4777 5.4997 5.4997 5.7022 5.7022 5.8012 5.8012 6.1375 6.1375 6.6286 6.6286 7.1614 7.1614 7.2734 7.2734 7.8629 7.8629 8.2367 8.2367 8.4274 8.4274 8.6727 8.6727 8.9951 8.9951 9.1011 9.1011 11.7618 11.7618 14.5819 14.5819 14.8804 14.8804 14.9825 14.9825 15.6176 15.6176 16.4285 16.4285 16.5896 16.5896 16.9493 16.9493 18.5436 18.5436 k = 0.0000 0.2105-0.0000 ( 5951 PWs) bands (ev): -42.2082 -42.2082 -18.9042 -18.9042 -18.2607 -18.2607 -18.2380 -18.2380 5.1080 5.1080 5.4016 5.4016 5.4882 5.4882 5.5142 5.5142 5.7338 5.7338 5.8224 5.8224 6.1516 6.1516 6.6309 6.6309 7.1475 7.1475 7.2731 7.2731 7.8644 7.8644 8.2299 8.2299 8.4056 8.4056 8.6625 8.6625 8.9749 8.9749 9.0614 9.0614 11.5833 11.5833 14.5878 14.5878 14.8855 14.8855 14.9732 14.9732 15.6427 15.6427 16.4263 16.4263 16.6575 16.6575 17.0214 17.0214 18.4905 18.4905 k = 0.0000 0.2237-0.0000 ( 5947 PWs) bands (ev): -42.2081 -42.2081 -18.9043 -18.9043 -18.2609 -18.2609 -18.2381 -18.2381 5.1389 5.1389 5.4064 5.4064 5.4977 5.4977 5.5307 5.5307 5.7649 5.7649 5.8484 5.8484 6.1662 6.1662 6.6333 6.6333 7.1325 7.1325 7.2730 7.2730 7.8663 7.8663 8.2229 8.2229 8.3830 8.3830 8.6522 8.6522 8.9513 8.9513 9.0244 9.0244 11.4054 11.4054 14.5917 14.5917 14.8902 14.8902 14.9635 14.9635 15.6658 15.6658 16.4239 16.4239 16.7303 16.7303 17.0981 17.0981 18.4337 18.4337 k = 0.0000 0.2368-0.0000 ( 5935 PWs) bands (ev): -42.2081 -42.2081 -18.9044 -18.9044 -18.2612 -18.2612 -18.2382 -18.2382 5.1694 5.1694 5.4113 5.4113 5.5067 5.5067 5.5488 5.5488 5.7935 5.7935 5.8809 5.8809 6.1811 6.1811 6.6358 6.6358 7.1165 7.1165 7.2730 7.2730 7.8685 7.8685 8.2158 8.2158 8.3595 8.3595 8.6415 8.6415 8.9224 8.9224 8.9925 8.9925 11.2287 11.2287 14.5937 14.5937 14.8937 14.8937 14.9543 14.9543 15.6871 15.6871 16.4214 16.4214 16.8079 16.8079 17.1791 17.1791 18.3746 18.3746 k = 0.0000 0.2500-0.0000 ( 5933 PWs) bands (ev): -42.2081 -42.2081 -18.9046 -18.9046 -18.2614 -18.2614 -18.2382 -18.2382 5.1994 5.1994 5.4163 5.4163 5.5153 5.5153 5.5681 5.5681 5.8191 5.8191 5.9208 5.9208 6.1964 6.1964 6.6382 6.6382 7.0997 7.0997 7.2729 7.2729 7.8711 7.8711 8.2084 8.2084 8.3356 8.3356 8.6305 8.6305 8.8876 8.8876 8.9666 8.9666 11.0534 11.0534 14.5940 14.5940 14.8949 14.8949 14.9468 14.9468 15.7066 15.7066 16.4189 16.4189 16.8902 16.8902 17.2640 17.2640 18.3141 18.3141 k = 0.0000 0.2632-0.0000 ( 5943 PWs) bands (ev): -42.2081 -42.2081 -18.9047 -18.9047 -18.2616 -18.2616 -18.2383 -18.2383 5.2286 5.2286 5.4215 5.4215 5.5236 5.5236 5.5885 5.5885 5.8423 5.8423 5.9670 5.9670 6.2119 6.2119 6.6405 6.6405 7.0822 7.0822 7.2729 7.2729 7.8740 7.8740 8.2008 8.2008 8.3114 8.3114 8.6191 8.6191 8.8486 8.8486 8.9454 8.9454 10.8799 10.8799 14.5928 14.5928 14.8922 14.8922 14.9429 14.9429 15.7246 15.7246 16.4164 16.4164 16.9769 16.9769 17.3523 17.3523 18.2535 18.2535 k = 0.0000 0.2763-0.0000 ( 5947 PWs) bands (ev): -42.2081 -42.2081 -18.9049 -18.9049 -18.2618 -18.2618 -18.2384 -18.2384 5.2565 5.2565 5.4268 5.4268 5.5317 5.5317 5.6098 5.6098 5.8641 5.8641 6.0185 6.0185 6.2279 6.2279 6.6426 6.6426 7.0643 7.0643 7.2729 7.2729 7.8774 7.8774 8.1926 8.1926 8.2872 8.2872 8.6072 8.6072 8.8076 8.8076 8.9273 8.9273 10.7085 10.7085 14.5903 14.5903 14.8850 14.8850 14.9431 14.9431 15.7411 15.7411 16.4140 16.4140 17.0677 17.0677 17.4435 17.4435 18.1939 18.1939 k = 0.0000 0.2895-0.0000 ( 5951 PWs) bands (ev): -42.2081 -42.2081 -18.9050 -18.9050 -18.2621 -18.2621 -18.2385 -18.2385 5.2831 5.2831 5.4323 5.4323 5.5396 5.5396 5.6318 5.6318 5.8854 5.8854 6.0736 6.0736 6.2446 6.2446 6.6446 6.6446 7.0461 7.0461 7.2729 7.2729 7.8812 7.8812 8.1836 8.1836 8.2634 8.2634 8.5947 8.5947 8.7662 8.7662 8.9112 8.9112 10.5396 10.5396 14.5867 14.5867 14.8746 14.8746 14.9464 14.9464 15.7562 15.7562 16.4115 16.4115 17.1624 17.1624 17.5362 17.5362 18.1368 18.1368 k = 0.0000 0.3026-0.0000 ( 5951 PWs) bands (ev): -42.2081 -42.2081 -18.9051 -18.9051 -18.2623 -18.2623 -18.2386 -18.2386 5.3080 5.3080 5.4379 5.4379 5.5472 5.5472 5.6543 5.6543 5.9065 5.9065 6.1307 6.1307 6.2628 6.2628 6.6465 6.6465 7.0282 7.0282 7.2729 7.2729 7.8854 7.8854 8.1734 8.1734 8.2406 8.2406 8.5817 8.5817 8.7252 8.7252 8.8965 8.8965 10.3735 10.3735 14.5822 14.5822 14.8625 14.8625 14.9515 14.9515 15.7700 15.7700 16.4091 16.4091 17.2607 17.2607 17.6283 17.6283 18.0850 18.0850 k = 0.0000 0.3158-0.0000 ( 5943 PWs) bands (ev): -42.2080 -42.2080 -18.9053 -18.9053 -18.2625 -18.2625 -18.2386 -18.2386 5.3311 5.3311 5.4439 5.4439 5.5546 5.5546 5.6771 5.6771 5.9278 5.9278 6.1861 6.1861 6.2851 6.2851 6.6483 6.6483 7.0108 7.0108 7.2729 7.2729 7.8899 7.8899 8.1611 8.1611 8.2195 8.2195 8.5681 8.5681 8.6856 8.6856 8.8831 8.8831 10.2106 10.2106 14.5769 14.5769 14.8495 14.8495 14.9575 14.9575 15.7826 15.7826 16.4068 16.4068 17.3622 17.3622 17.7138 17.7138 18.0447 18.0447 k = 0.0000 0.3289-0.0000 ( 5947 PWs) bands (ev): -42.2080 -42.2080 -18.9054 -18.9054 -18.2627 -18.2627 -18.2387 -18.2387 5.3521 5.3521 5.4503 5.4503 5.5616 5.5616 5.7000 5.7000 5.9494 5.9494 6.2321 6.2321 6.3180 6.3180 6.6505 6.6505 6.9946 6.9946 7.2728 7.2728 7.8946 7.8946 8.1459 8.1459 8.2008 8.2008 8.5537 8.5537 8.6479 8.6479 8.8709 8.8709 10.0513 10.0513 14.5712 14.5712 14.8364 14.8364 14.9640 14.9640 15.7941 15.7941 16.4045 16.4045 17.4664 17.4664 17.7770 17.7770 18.0318 18.0318 k = 0.0000 0.3421-0.0000 ( 5945 PWs) bands (ev): -42.2080 -42.2080 -18.9055 -18.9055 -18.2629 -18.2629 -18.2388 -18.2388 5.3708 5.3708 5.4571 5.4571 5.5683 5.5683 5.7228 5.7228 5.9715 5.9715 6.2625 6.2625 6.3654 6.3654 6.6544 6.6544 6.9802 6.9802 7.2728 7.2728 7.8993 7.8993 8.1274 8.1274 8.1850 8.1850 8.5385 8.5385 8.6131 8.6131 8.8599 8.8599 9.8960 9.8960 14.5651 14.5651 14.8233 14.8233 14.9706 14.9706 15.8045 15.8045 16.4024 16.4024 17.5730 17.5730 17.7947 17.7947 18.0696 18.0696 k = 0.0000 0.3553-0.0000 ( 5951 PWs) bands (ev): -42.2080 -42.2080 -18.9056 -18.9056 -18.2631 -18.2631 -18.2389 -18.2389 5.3871 5.3871 5.4646 5.4646 5.5746 5.5746 5.7451 5.7451 5.9941 5.9941 6.2819 6.2819 6.4189 6.4189 6.6629 6.6629 6.9683 6.9683 7.2728 7.2728 7.9038 7.9038 8.1061 8.1061 8.1715 8.1715 8.5219 8.5219 8.5822 8.5822 8.8500 8.8500 9.7453 9.7453 14.5588 14.5588 14.8107 14.8107 14.9772 14.9772 15.8139 15.8139 16.4004 16.4004 17.6806 17.6806 17.7756 17.7756 18.1505 18.1505 k = 0.0000 0.3684-0.0000 ( 5955 PWs) bands (ev): -42.2080 -42.2080 -18.9057 -18.9057 -18.2632 -18.2632 -18.2389 -18.2389 5.4009 5.4009 5.4728 5.4728 5.5805 5.5805 5.7667 5.7667 6.0174 6.0174 6.2962 6.2962 6.4655 6.4655 6.6813 6.6813 6.9601 6.9601 7.2728 7.2728 7.9076 7.9076 8.0825 8.0825 8.1593 8.1593 8.5035 8.5035 8.5566 8.5566 8.8411 8.8411 9.5999 9.5999 14.5525 14.5525 14.7986 14.7986 14.9837 14.9837 15.8225 15.8225 16.3985 16.3985 17.7359 17.7359 17.7961 17.7961 18.2510 18.2510 k = 0.0000 0.3816-0.0000 ( 5954 PWs) bands (ev): -42.2080 -42.2080 -18.9058 -18.9058 -18.2634 -18.2634 -18.2390 -18.2390 5.4121 5.4121 5.4815 5.4815 5.5859 5.5859 5.7873 5.7873 6.0414 6.0414 6.3078 6.3078 6.4951 6.4951 6.7157 6.7157 6.9572 6.9572 7.2728 7.2728 7.9100 7.9100 8.0573 8.0573 8.1481 8.1481 8.4835 8.4835 8.5369 8.5369 8.8333 8.8333 9.4604 9.4604 14.5464 14.5464 14.7873 14.7873 14.9899 14.9899 15.8301 15.8301 16.3967 16.3967 17.7004 17.7004 17.9049 17.9049 18.3600 18.3600 k = 0.0000 0.3947-0.0000 ( 5966 PWs) bands (ev): -42.2080 -42.2080 -18.9059 -18.9059 -18.2635 -18.2635 -18.2390 -18.2390 5.4211 5.4211 5.4906 5.4906 5.5908 5.5908 5.8065 5.8065 6.0660 6.0660 6.3174 6.3174 6.5055 6.5055 6.7633 6.7633 6.9633 6.9633 7.2729 7.2729 7.9095 7.9095 8.0311 8.0311 8.1378 8.1378 8.4633 8.4633 8.5226 8.5226 8.8264 8.8264 9.3276 9.3276 14.5405 14.5405 14.7768 14.7768 14.9958 14.9958 15.8368 15.8368 16.3951 16.3951 17.6637 17.6637 18.0156 18.0156 18.4735 18.4735 k = 0.0000 0.4079-0.0000 ( 5976 PWs) bands (ev): -42.2080 -42.2080 -18.9060 -18.9060 -18.2637 -18.2637 -18.2391 -18.2391 5.4282 5.4282 5.4995 5.4995 5.5952 5.5952 5.8242 5.8242 6.0912 6.0912 6.3255 6.3255 6.5020 6.5020 6.8110 6.8110 6.9855 6.9855 7.2729 7.2729 7.9038 7.9038 8.0051 8.0051 8.1285 8.1285 8.4447 8.4447 8.5128 8.5128 8.8205 8.8205 9.2027 9.2027 14.5351 14.5351 14.7674 14.7674 15.0012 15.0012 15.8428 15.8428 16.3937 16.3937 17.6294 17.6294 18.1257 18.1257 18.5894 18.5894 k = 0.0000 0.4211-0.0000 ( 5960 PWs) bands (ev): -42.2080 -42.2080 -18.9061 -18.9061 -18.2638 -18.2638 -18.2391 -18.2391 5.4338 5.4338 5.5079 5.5079 5.5991 5.5991 5.8399 5.8399 6.1169 6.1169 6.3321 6.3321 6.4902 6.4902 6.8444 6.8444 7.0321 7.0321 7.2730 7.2730 7.8880 7.8880 7.9827 7.9827 8.1206 8.1206 8.4288 8.4288 8.5072 8.5072 8.8153 8.8153 9.0866 9.0866 14.5301 14.5301 14.7590 14.7590 15.0062 15.0062 15.8479 15.8479 16.3924 16.3924 17.5986 17.5986 18.2337 18.2337 18.7062 18.7062 k = 0.0000 0.4342-0.0000 ( 5958 PWs) bands (ev): -42.2080 -42.2080 -18.9061 -18.9061 -18.2639 -18.2639 -18.2391 -18.2391 5.4381 5.4381 5.5155 5.5155 5.6025 5.6025 5.8536 5.8536 6.1428 6.1428 6.3374 6.3374 6.4736 6.4736 6.8621 6.8621 7.1005 7.1005 7.2732 7.2732 7.8576 7.8576 7.9675 7.9675 8.1146 8.1146 8.4160 8.4160 8.5063 8.5063 8.8109 8.8109 8.9807 8.9807 14.5258 14.5258 14.7518 14.7518 15.0104 15.0104 15.8522 15.8522 16.3913 16.3913 17.5717 17.5717 18.3375 18.3375 18.8228 18.8228 k = 0.0000 0.4474-0.0000 ( 5962 PWs) bands (ev): -42.2080 -42.2080 -18.9062 -18.9062 -18.2640 -18.2640 -18.2392 -18.2392 5.4414 5.4414 5.5219 5.5219 5.6052 5.6052 5.8650 5.8650 6.1683 6.1683 6.3413 6.3413 6.4546 6.4546 6.8709 6.8709 7.1813 7.1813 7.2733 7.2733 7.8126 7.8126 7.9587 7.9587 8.1104 8.1104 8.4063 8.4063 8.5106 8.5106 8.8064 8.8064 8.8867 8.8867 14.5221 14.5221 14.7459 14.7459 15.0141 15.0141 15.8557 15.8557 16.3904 16.3904 17.5493 17.5493 18.4344 18.4344 18.9373 18.9373 k = 0.0000 0.4605-0.0000 ( 5964 PWs) bands (ev): -42.2079 -42.2079 -18.9062 -18.9062 -18.2640 -18.2640 -18.2392 -18.2392 5.4439 5.4439 5.5271 5.5271 5.6074 5.6074 5.8740 5.8740 6.1926 6.1926 6.3437 6.3437 6.4352 6.4352 6.8757 6.8757 7.2670 7.2670 7.2739 7.2739 7.7561 7.7561 7.9534 7.9534 8.1078 8.1078 8.3993 8.3993 8.5209 8.5209 8.7904 8.7904 8.8170 8.8170 14.5192 14.5192 14.7412 14.7412 15.0169 15.0169 15.8585 15.8585 16.3897 16.3897 17.5316 17.5316 18.5205 18.5205 19.0470 19.0470 k = 0.0000 0.4737-0.0000 ( 5958 PWs) bands (ev): -42.2079 -42.2079 -18.9063 -18.9063 -18.2641 -18.2641 -18.2392 -18.2392 5.4456 5.4456 5.5309 5.5309 5.6089 5.6089 5.8805 5.8805 6.2141 6.2141 6.3445 6.3445 6.4178 6.4178 6.8785 6.8785 7.2734 7.2734 7.3553 7.3553 7.6904 7.6904 7.9500 7.9500 8.1064 8.1064 8.3946 8.3946 8.5378 8.5378 8.7291 8.7291 8.8066 8.8066 14.5171 14.5171 14.7378 14.7378 15.0190 15.0190 15.8604 15.8604 16.3892 16.3892 17.5189 17.5189 18.5902 18.5902 19.1466 19.1466 k = 0.0000 0.4868-0.0000 ( 5954 PWs) bands (ev): -42.2079 -42.2079 -18.9063 -18.9063 -18.2641 -18.2641 -18.2392 -18.2392 5.4466 5.4466 5.5332 5.5332 5.6099 5.6099 5.8844 5.8844 6.2299 6.2299 6.3437 6.3437 6.4055 6.4055 6.8799 6.8799 7.2735 7.2735 7.4404 7.4404 7.6188 7.6188 7.9481 7.9481 8.1057 8.1057 8.3920 8.3920 8.5596 8.5596 8.6759 8.6759 8.8047 8.8047 14.5158 14.5158 14.7358 14.7358 15.0203 15.0203 15.8616 15.8616 16.3889 16.3889 17.5112 17.5112 18.6365 18.6365 19.2244 19.2244 k = 0.0000 0.5000-0.0000 ( 5954 PWs) bands (ev): -42.2079 -42.2079 -18.9063 -18.9063 -18.2641 -18.2641 -18.2392 -18.2392 5.4469 5.4469 5.5340 5.5340 5.6102 5.6102 5.8857 5.8857 6.2359 6.2359 6.3431 6.3431 6.4011 6.4011 6.8804 6.8804 7.2735 7.2735 7.4994 7.4994 7.5642 7.5642 7.9474 7.9474 8.1055 8.1055 8.3911 8.3911 8.5738 8.5738 8.6510 8.6510 8.8041 8.8041 14.5154 14.5154 14.7351 14.7351 15.0207 15.0207 15.8620 15.8620 16.3888 16.3888 17.5086 17.5086 18.6529 18.6529 19.2565 19.2565 k = 0.0000 0.5000-0.0000 ( 5954 PWs) bands (ev): -42.2079 -42.2079 -18.9063 -18.9063 -18.2641 -18.2641 -18.2392 -18.2392 5.4469 5.4469 5.5340 5.5340 5.6102 5.6102 5.8857 5.8857 6.2359 6.2359 6.3431 6.3431 6.4011 6.4011 6.8804 6.8804 7.2735 7.2735 7.4994 7.4994 7.5642 7.5642 7.9474 7.9474 8.1055 8.1055 8.3911 8.3911 8.5738 8.5738 8.6510 8.6510 8.8041 8.8041 14.5154 14.5154 14.7351 14.7351 15.0207 15.0207 15.8620 15.8620 16.3888 16.3888 17.5086 17.5086 18.6529 18.6529 19.2565 19.2565 k = 0.0132 0.5000-0.0000 ( 5950 PWs) bands (ev): -42.2079 -42.2079 -18.9063 -18.9063 -18.2641 -18.2641 -18.2392 -18.2392 5.4473 5.4473 5.5345 5.5345 5.6107 5.6107 5.8860 5.8860 6.2359 6.2359 6.3431 6.3431 6.4008 6.4008 6.8793 6.8793 7.2714 7.2714 7.4994 7.4994 7.5658 7.5658 7.9474 7.9474 8.1064 8.1064 8.3879 8.3879 8.5784 8.5784 8.6532 8.6532 8.8037 8.8037 14.5108 14.5108 14.7341 14.7341 15.0192 15.0192 15.8624 15.8624 16.3850 16.3850 17.5067 17.5067 18.6406 18.6406 19.2569 19.2569 k = 0.0263 0.5000-0.0000 ( 5962 PWs) bands (ev): -42.2079 -42.2079 -18.9063 -18.9063 -18.2642 -18.2642 -18.2392 -18.2392 5.4484 5.4484 5.5361 5.5361 5.6122 5.6122 5.8870 5.8870 6.2358 6.2358 6.3434 6.3434 6.4000 6.4000 6.8759 6.8759 7.2652 7.2652 7.4993 7.4993 7.5704 7.5704 7.9473 7.9473 8.1091 8.1091 8.3791 8.3791 8.5907 8.5907 8.6600 8.6600 8.8023 8.8023 14.4967 14.4967 14.7317 14.7317 15.0148 15.0148 15.8634 15.8634 16.3735 16.3735 17.5009 17.5009 18.6030 18.6030 19.2582 19.2582 k = 0.0395 0.5000-0.0000 ( 5960 PWs) bands (ev): -42.2079 -42.2079 -18.9063 -18.9063 -18.2642 -18.2642 -18.2392 -18.2392 5.4502 5.4502 5.5387 5.5387 5.6147 5.6147 5.8886 5.8886 6.2358 6.2358 6.3437 6.3437 6.3985 6.3985 6.8704 6.8704 7.2554 7.2554 7.4993 7.4993 7.5776 7.5776 7.9470 7.9470 8.1134 8.1134 8.3667 8.3667 8.6083 8.6083 8.6722 8.6722 8.8001 8.8001 14.4724 14.4724 14.7287 14.7287 15.0072 15.0072 15.8651 15.8651 16.3547 16.3547 17.4912 17.4912 18.5393 18.5393 19.2610 19.2610 k = 0.0526 0.5000-0.0000 ( 5952 PWs) bands (ev): -42.2079 -42.2079 -18.9063 -18.9063 -18.2642 -18.2642 -18.2393 -18.2393 5.4528 5.4528 5.5423 5.5423 5.6182 5.6182 5.8910 5.8910 6.2357 6.2357 6.3442 6.3442 6.3965 6.3965 6.8628 6.8628 7.2425 7.2425 7.4993 7.4993 7.5866 7.5866 7.9468 7.9468 8.1192 8.1192 8.3524 8.3524 8.6282 8.6282 8.6906 8.6906 8.7971 8.7971 14.4372 14.4372 14.7261 14.7261 14.9965 14.9965 15.8675 15.8675 16.3290 16.3290 17.4779 17.4779 18.4507 18.4507 19.2661 19.2661 k = 0.0658 0.5000-0.0000 ( 5948 PWs) bands (ev): -42.2079 -42.2079 -18.9064 -18.9064 -18.2643 -18.2643 -18.2393 -18.2393 5.4561 5.4561 5.5469 5.5469 5.6226 5.6226 5.8940 5.8940 6.2356 6.2356 6.3448 6.3448 6.3940 6.3940 6.8532 6.8532 7.2273 7.2273 7.4995 7.4995 7.5970 7.5970 7.9465 7.9465 8.1263 8.1263 8.3377 8.3377 8.6485 8.6485 8.7160 8.7160 8.7933 8.7933 14.3907 14.3907 14.7247 14.7247 14.9825 14.9825 15.8705 15.8705 16.2972 16.2972 17.4611 17.4611 18.3407 18.3407 19.2745 19.2745 k = 0.0789 0.5000-0.0000 ( 5948 PWs) bands (ev): -42.2079 -42.2079 -18.9064 -18.9064 -18.2643 -18.2643 -18.2394 -18.2394 5.4601 5.4601 5.5525 5.5525 5.6280 5.6280 5.8977 5.8977 6.2356 6.2356 6.3454 6.3454 6.3909 6.3909 6.8417 6.8417 7.2102 7.2102 7.5000 7.5000 7.6080 7.6080 7.9462 7.9462 8.1345 8.1345 8.3234 8.3234 8.6686 8.6686 8.7478 8.7478 8.7892 8.7892 14.3333 14.3333 14.7246 14.7246 14.9650 14.9650 15.8742 15.8742 16.2598 16.2598 17.4409 17.4409 18.2147 18.2147 19.2870 19.2870 k = 0.0921 0.5000-0.0000 ( 5944 PWs) bands (ev): -42.2079 -42.2079 -18.9065 -18.9065 -18.2644 -18.2644 -18.2394 -18.2394 5.4648 5.4648 5.5589 5.5589 5.6342 5.6342 5.9023 5.9023 6.2356 6.2356 6.3459 6.3459 6.3872 6.3872 6.8285 6.8285 7.1917 7.1917 7.5007 7.5007 7.6193 7.6193 7.9461 7.9461 8.1432 8.1432 8.3101 8.3101 8.6892 8.6892 8.7775 8.7775 8.7919 8.7919 14.2656 14.2656 14.7256 14.7256 14.9441 14.9441 15.8784 15.8784 16.2177 16.2177 17.4176 17.4176 18.0782 18.0782 19.3040 19.3040 k = 0.1053 0.5000-0.0000 ( 5954 PWs) bands (ev): -42.2079 -42.2079 -18.9065 -18.9065 -18.2644 -18.2644 -18.2395 -18.2395 5.4701 5.4701 5.5662 5.5662 5.6413 5.6413 5.9076 5.9076 6.2357 6.2357 6.3464 6.3464 6.3831 6.3831 6.8137 6.8137 7.1722 7.1722 7.5018 7.5018 7.6305 7.6305 7.9460 7.9460 8.1519 8.1519 8.2986 8.2986 8.7107 8.7107 8.7758 8.7758 8.8302 8.8302 14.1884 14.1884 14.7268 14.7268 14.9197 14.9197 15.8832 15.8832 16.1716 16.1716 17.3916 17.3916 17.9360 17.9360 19.3257 19.3257 k = 0.1184 0.5000-0.0000 ( 5954 PWs) bands (ev): -42.2079 -42.2079 -18.9066 -18.9066 -18.2645 -18.2645 -18.2395 -18.2395 5.4760 5.4760 5.5741 5.5741 5.6492 5.6492 5.9137 5.9137 6.2359 6.2359 6.3468 6.3468 6.3785 6.3785 6.7976 6.7976 7.1518 7.1518 7.5034 7.5034 7.6413 7.6413 7.9462 7.9462 8.1595 8.1595 8.2898 8.2898 8.7336 8.7336 8.7699 8.7699 8.8762 8.8762 14.1028 14.1028 14.7270 14.7270 14.8927 14.8927 15.8883 15.8883 16.1222 16.1222 17.3632 17.3632 17.7918 17.7918 19.3522 19.3522 k = 0.1316 0.5000-0.0000 ( 5954 PWs) bands (ev): -42.2079 -42.2079 -18.9066 -18.9066 -18.2646 -18.2646 -18.2396 -18.2396 5.4826 5.4826 5.5827 5.5827 5.6579 5.6579 5.9208 5.9208 6.2362 6.2362 6.3468 6.3468 6.3737 6.3737 6.7802 6.7802 7.1309 7.1309 7.5055 7.5055 7.6515 7.6515 7.9467 7.9467 8.1650 8.1650 8.2848 8.2848 8.7568 8.7568 8.7643 8.7643 8.9261 8.9261 14.0098 14.0098 14.7234 14.7234 14.8648 14.8648 15.8939 15.8939 16.0704 16.0704 17.3327 17.3327 17.6486 17.6486 19.3835 19.3835 k = 0.1447 0.5000-0.0000 ( 5958 PWs) bands (ev): -42.2079 -42.2079 -18.9067 -18.9067 -18.2647 -18.2647 -18.2397 -18.2397 5.4896 5.4896 5.5917 5.5917 5.6675 5.6675 5.9287 5.9287 6.2366 6.2366 6.3461 6.3461 6.3688 6.3688 6.7619 6.7619 7.1094 7.1094 7.5081 7.5081 7.6610 7.6610 7.9476 7.9476 8.1672 8.1672 8.2846 8.2846 8.7554 8.7554 8.7844 8.7844 8.9795 8.9795 13.9102 13.9102 14.7108 14.7108 14.8407 14.8407 15.8994 15.8994 16.0169 16.0169 17.3002 17.3002 17.5093 17.5093 19.4196 19.4196 k = 0.1579 0.5000-0.0000 ( 5970 PWs) bands (ev): -42.2079 -42.2079 -18.9068 -18.9068 -18.2648 -18.2648 -18.2397 -18.2397 5.4972 5.4972 5.6010 5.6010 5.6780 5.6780 5.9375 5.9375 6.2371 6.2371 6.3445 6.3445 6.3644 6.3644 6.7429 6.7429 7.0875 7.0875 7.5113 7.5113 7.6697 7.6697 7.9488 7.9488 8.1655 8.1655 8.2895 8.2895 8.7482 8.7482 8.8116 8.8116 9.0362 9.0362 13.8051 13.8051 14.6827 14.6827 14.8259 14.8259 15.9041 15.9041 15.9632 15.9632 17.2645 17.2645 17.3770 17.3770 19.4602 19.4602 k = 0.1711 0.5000-0.0000 ( 5970 PWs) bands (ev): -42.2079 -42.2079 -18.9069 -18.9069 -18.2649 -18.2649 -18.2398 -18.2398 5.5053 5.5053 5.6104 5.6104 5.6893 5.6893 5.9473 5.9473 6.2378 6.2378 6.3412 6.3412 6.3609 6.3609 6.7232 6.7232 7.0652 7.0652 7.5150 7.5150 7.6775 7.6775 7.9505 7.9505 8.1605 8.1605 8.2989 8.2989 8.7407 8.7407 8.8403 8.8403 9.0961 9.0961 13.6952 13.6952 14.6374 14.6374 14.8217 14.8217 15.8938 15.8938 15.9238 15.9238 17.2135 17.2135 17.2660 17.2660 19.5053 19.5053 k = 0.1842 0.5000-0.0000 ( 5972 PWs) bands (ev): -42.2079 -42.2079 -18.9070 -18.9070 -18.2650 -18.2650 -18.2399 -18.2399 5.5137 5.5137 5.6198 5.6198 5.7017 5.7017 5.9580 5.9580 6.2385 6.2385 6.3363 6.3363 6.3586 6.3586 6.7032 6.7032 7.0425 7.0425 7.5194 7.5194 7.6844 7.6844 7.9527 7.9527 8.1531 8.1531 8.3117 8.3117 8.7332 8.7332 8.8702 8.8702 9.1590 9.1590 13.5815 13.5815 14.5779 14.5779 14.8243 14.8243 15.8441 15.8441 15.9236 15.9236 17.1132 17.1132 17.2118 17.2118 19.5546 19.5546 k = 0.1974 0.5000-0.0000 ( 5968 PWs) bands (ev): -42.2078 -42.2078 -18.9070 -18.9070 -18.2651 -18.2651 -18.2400 -18.2400 5.5226 5.5226 5.6290 5.6290 5.7151 5.7151 5.9696 5.9696 6.2394 6.2394 6.3300 6.3300 6.3571 6.3571 6.6830 6.6830 7.0195 7.0195 7.5243 7.5243 7.6904 7.6904 7.9554 7.9554 8.1442 8.1442 8.3269 8.3269 8.7257 8.7257 8.9014 8.9014 9.2250 9.2250 13.4646 13.4646 14.5068 14.5068 14.8307 14.8307 15.7885 15.7885 15.9291 15.9291 17.0045 17.0045 17.1748 17.1748 19.6079 19.6079 k = 0.2105 0.5000-0.0000 ( 5968 PWs) bands (ev): -42.2078 -42.2078 -18.9071 -18.9071 -18.2652 -18.2652 -18.2401 -18.2401 5.5317 5.5317 5.6378 5.6378 5.7296 5.7296 5.9819 5.9819 6.2403 6.2403 6.3229 6.3229 6.3560 6.3560 6.6627 6.6627 6.9960 6.9960 7.5297 7.5297 7.6956 7.6956 7.9586 7.9586 8.1344 8.1344 8.3436 8.3436 8.7184 8.7184 8.9337 8.9337 9.2940 9.2940 13.3454 13.3454 14.4255 14.4255 14.8392 14.8392 15.7325 15.7325 15.9353 15.9353 16.9031 16.9031 17.1401 17.1401 19.6649 19.6649 k = 0.2237 0.5000-0.0000 ( 5976 PWs) bands (ev): -42.2078 -42.2078 -18.9072 -18.9072 -18.2654 -18.2654 -18.2402 -18.2402 5.5411 5.5411 5.6461 5.6461 5.7453 5.7453 5.9951 5.9951 6.2410 6.2410 6.3154 6.3154 6.3549 6.3549 6.6427 6.6427 6.9721 6.9721 7.5355 7.5355 7.7000 7.7000 7.9623 7.9623 8.1243 8.1243 8.3615 8.3615 8.7114 8.7114 8.9670 8.9670 9.3659 9.3659 13.2244 13.2244 14.3350 14.3350 14.8490 14.8490 15.6769 15.6769 15.9414 15.9414 16.8111 16.8111 17.1066 17.1066 19.7255 19.7255 k = 0.2368 0.5000-0.0000 ( 5980 PWs) bands (ev): -42.2078 -42.2078 -18.9073 -18.9073 -18.2655 -18.2655 -18.2403 -18.2403 5.5507 5.5507 5.6539 5.6539 5.7621 5.7621 6.0089 6.0089 6.2416 6.2416 6.3080 6.3080 6.3539 6.3539 6.6229 6.6229 6.9479 6.9479 7.5417 7.5417 7.7037 7.7037 7.9664 7.9664 8.1140 8.1140 8.3800 8.3800 8.7047 8.7047 9.0012 9.0012 9.4408 9.4408 13.1025 13.1025 14.2358 14.2358 14.8594 14.8594 15.6222 15.6222 15.9471 15.9471 16.7288 16.7288 17.0739 17.0739 19.7895 19.7895 k = 0.2500 0.5000-0.0000 ( 5980 PWs) bands (ev): -42.2078 -42.2078 -18.9074 -18.9074 -18.2656 -18.2656 -18.2404 -18.2404 5.5605 5.5605 5.6611 5.6611 5.7800 5.7800 6.0233 6.0233 6.2417 6.2417 6.3009 6.3009 6.3526 6.3526 6.6035 6.6035 6.9231 6.9231 7.5481 7.5481 7.7068 7.7068 7.9709 7.9709 8.1038 8.1038 8.3988 8.3988 8.6985 8.6985 9.0364 9.0364 9.5186 9.5186 12.9801 12.9801 14.1287 14.1287 14.8701 14.8701 15.5685 15.5685 15.9523 15.9523 16.6564 16.6564 17.0421 17.0421 19.8567 19.8567 k = 0.2632 0.5000-0.0000 ( 5980 PWs) bands (ev): -42.2078 -42.2078 -18.9075 -18.9075 -18.2657 -18.2657 -18.2404 -18.2404 5.5703 5.5703 5.6676 5.6676 5.7990 5.7990 6.0380 6.0380 6.2410 6.2410 6.2946 6.2946 6.3513 6.3513 6.5847 6.5847 6.8980 6.8980 7.5548 7.5548 7.7093 7.7093 7.9757 7.9757 8.0939 8.0939 8.4179 8.4179 8.6927 8.6927 9.0724 9.0724 9.5993 9.5993 12.8578 12.8578 14.0144 14.0144 14.8811 14.8811 15.5162 15.5162 15.9568 15.9568 16.5934 16.5934 17.0115 17.0115 19.9268 19.9268 k = 0.2763 0.5000-0.0000 ( 5978 PWs) bands (ev): -42.2078 -42.2078 -18.9076 -18.9076 -18.2659 -18.2659 -18.2405 -18.2405 5.5802 5.5802 5.6737 5.6737 5.8189 5.8189 6.0531 6.0531 6.2391 6.2391 6.2895 6.2895 6.3497 6.3497 6.5664 6.5664 6.8724 6.8724 7.5614 7.5614 7.7115 7.7115 7.9808 7.9808 8.0842 8.0842 8.4369 8.4369 8.6874 8.6874 9.1091 9.1091 9.6828 9.6828 12.7362 12.7362 13.8939 13.8939 14.8920 14.8920 15.4654 15.4654 15.9605 15.9605 16.5396 16.5396 16.9819 16.9819 19.9997 19.9997 k = 0.2895 0.5000-0.0000 ( 5972 PWs) bands (ev): -42.2078 -42.2078 -18.9077 -18.9077 -18.2660 -18.2660 -18.2406 -18.2406 5.5899 5.5899 5.6791 5.6791 5.8398 5.8398 6.0682 6.0682 6.2357 6.2357 6.2861 6.2861 6.3481 6.3481 6.5489 6.5489 6.8464 6.8464 7.5680 7.5680 7.7133 7.7133 7.9861 7.9861 8.0751 8.0751 8.4557 8.4557 8.6827 8.6827 9.1464 9.1464 9.7693 9.7693 12.6159 12.6159 13.7679 13.7679 14.9028 14.9028 15.4164 15.4164 15.9632 15.9632 16.4941 16.4941 16.9537 16.9537 20.0754 20.0754 k = 0.3026 0.5000-0.0000 ( 5972 PWs) bands (ev): -42.2078 -42.2078 -18.9078 -18.9078 -18.2661 -18.2661 -18.2407 -18.2407 5.5996 5.5996 5.6841 5.6841 5.8615 5.8615 6.0833 6.0833 6.2309 6.2309 6.2843 6.2843 6.3464 6.3464 6.5322 6.5322 6.8201 6.8201 7.5743 7.5743 7.7149 7.7149 7.9913 7.9913 8.0664 8.0664 8.4742 8.4742 8.6785 8.6785 9.1844 9.1844 9.8585 9.8585 12.4974 12.4974 13.6373 13.6373 14.9133 14.9133 15.3694 15.3694 15.9649 15.9649 16.4563 16.4563 16.9268 16.9268 20.1536 20.1536 k = 0.3158 0.5000-0.0000 ( 5968 PWs) bands (ev): -42.2077 -42.2077 -18.9079 -18.9079 -18.2662 -18.2662 -18.2408 -18.2408 5.6091 5.6091 5.6886 5.6886 5.8839 5.8839 6.0982 6.0982 6.2248 6.2248 6.2841 6.2841 6.3447 6.3447 6.5162 6.5162 6.7934 6.7934 7.5803 7.5803 7.7164 7.7164 7.9966 7.9966 8.0585 8.0585 8.4923 8.4923 8.6749 8.6749 9.2228 9.2228 9.9506 9.9506 12.3812 12.3812 13.5031 13.5031 14.9234 14.9234 15.3246 15.3246 15.9657 15.9657 16.4255 16.4255 16.9013 16.9013 20.2343 20.2343 k = 0.3289 0.5000-0.0000 ( 5960 PWs) bands (ev): -42.2077 -42.2077 -18.9080 -18.9080 -18.2664 -18.2664 -18.2408 -18.2408 5.6183 5.6183 5.6927 5.6927 5.9069 5.9069 6.1127 6.1127 6.2180 6.2180 6.2848 6.2848 6.3432 6.3432 6.5010 6.5010 6.7664 6.7664 7.5859 7.5859 7.7177 7.7177 8.0016 8.0016 8.0514 8.0514 8.5097 8.5097 8.6718 8.6718 9.2617 9.2617 10.0455 10.0455 12.2678 12.2678 13.3659 13.3659 14.9332 14.9332 15.2821 15.2821 15.9654 15.9654 16.4007 16.4007 16.8772 16.8772 20.3173 20.3173 k = 0.3421 0.5000-0.0000 ( 5958 PWs) bands (ev): -42.2077 -42.2077 -18.9080 -18.9080 -18.2665 -18.2665 -18.2409 -18.2409 5.6271 5.6271 5.6965 5.6965 5.9303 5.9303 6.1266 6.1266 6.2108 6.2108 6.2864 6.2864 6.3419 6.3419 6.4865 6.4865 6.7393 6.7393 7.5910 7.5910 7.7190 7.7190 8.0062 8.0062 8.0453 8.0453 8.5264 8.5264 8.6692 8.6692 9.3007 9.3007 10.1431 10.1431 12.1579 12.1579 13.2267 13.2267 14.9424 14.9424 15.2421 15.2421 15.9644 15.9644 16.3812 16.3812 16.8548 16.8548 20.4026 20.4026 k = 0.3553 0.5000-0.0000 ( 5962 PWs) bands (ev): -42.2077 -42.2077 -18.9081 -18.9081 -18.2666 -18.2666 -18.2410 -18.2410 5.6356 5.6356 5.6999 5.6999 5.9540 5.9540 6.1398 6.1398 6.2036 6.2036 6.2884 6.2884 6.3411 6.3411 6.4727 6.4727 6.7121 6.7121 7.5954 7.5954 7.7201 7.7201 8.0101 8.0101 8.0406 8.0406 8.5423 8.5423 8.6671 8.6671 9.3397 9.3397 10.2435 10.2435 12.0520 12.0520 13.0860 13.0860 14.9510 14.9510 15.2048 15.2048 15.9626 15.9626 16.3662 16.3662 16.8339 16.8339 20.4900 20.4900 k = 0.3684 0.5000-0.0000 ( 5960 PWs) bands (ev): -42.2077 -42.2077 -18.9082 -18.9082 -18.2667 -18.2667 -18.2410 -18.2410 5.6436 5.6436 5.7029 5.7029 5.9778 5.9778 6.1523 6.1523 6.1966 6.1966 6.2907 6.2907 6.3408 6.3408 6.4594 6.4594 6.6850 6.6850 7.5993 7.5993 7.7213 7.7213 8.0127 8.0127 8.0377 8.0377 8.5573 8.5573 8.6654 8.6654 9.3784 9.3784 10.3465 10.3465 11.9508 11.9508 12.9444 12.9444 14.9591 14.9591 15.1703 15.1703 15.9603 15.9603 16.3548 16.3548 16.8148 16.8148 20.5795 20.5795 k = 0.3816 0.5000-0.0000 ( 5952 PWs) bands (ev): -42.2077 -42.2077 -18.9083 -18.9083 -18.2668 -18.2668 -18.2411 -18.2411 5.6510 5.6510 5.7057 5.7057 6.0013 6.0013 6.1638 6.1638 6.1902 6.1902 6.2932 6.2932 6.3411 6.3411 6.4465 6.4465 6.6582 6.6582 7.6026 7.6026 7.7223 7.7223 8.0135 8.0135 8.0371 8.0371 8.5712 8.5712 8.6641 8.6641 9.4165 9.4165 10.4522 10.4522 11.8550 11.8550 12.8026 12.8026 14.9665 14.9665 15.1387 15.1387 15.9578 15.9578 16.3465 16.3465 16.7973 16.7973 20.6710 20.6710 k = 0.3947 0.5000-0.0000 ( 5946 PWs) bands (ev): -42.2077 -42.2077 -18.9083 -18.9083 -18.2669 -18.2669 -18.2411 -18.2411 5.6578 5.6578 5.7082 5.7082 6.0242 6.0242 6.1733 6.1733 6.1857 6.1857 6.2959 6.2959 6.3421 6.3421 6.4338 6.4338 6.6320 6.6320 7.6053 7.6053 7.7232 7.7232 8.0128 8.0128 8.0384 8.0384 8.5840 8.5840 8.6631 8.6631 9.4536 9.4536 10.5603 10.5603 11.7653 11.7653 12.6611 12.6611 14.9732 14.9732 15.1102 15.1102 15.9551 15.9551 16.3406 16.3406 16.7816 16.7816 20.7644 20.7644 k = 0.4079 0.5000-0.0000 ( 5942 PWs) bands (ev): -42.2077 -42.2077 -18.9084 -18.9084 -18.2670 -18.2670 -18.2412 -18.2412 5.6640 5.6640 5.7105 5.7105 6.0460 6.0460 6.1747 6.1747 6.1898 6.1898 6.2988 6.2988 6.3436 6.3436 6.4211 6.4211 6.6066 6.6066 7.6075 7.6075 7.7239 7.7239 8.0114 8.0114 8.0408 8.0408 8.5955 8.5955 8.6624 8.6624 9.4891 9.4891 10.6709 10.6709 11.6825 11.6825 12.5203 12.5203 14.9791 14.9791 15.0848 15.0848 15.9523 15.9523 16.3365 16.3365 16.7676 16.7676 20.8597 20.8597 k = 0.4211 0.5000-0.0000 ( 5934 PWs) bands (ev): -42.2077 -42.2077 -18.9084 -18.9084 -18.2670 -18.2670 -18.2412 -18.2412 5.6694 5.6694 5.7125 5.7125 6.0660 6.0660 6.1708 6.1708 6.2003 6.2003 6.3017 6.3017 6.3457 6.3457 6.4081 6.4081 6.5826 6.5826 7.6092 7.6092 7.7245 7.7245 8.0099 8.0099 8.0435 8.0435 8.6056 8.6056 8.6620 8.6620 9.5224 9.5224 10.7835 10.7835 11.6077 11.6077 12.3809 12.3809 14.9843 14.9843 15.0627 15.0627 15.9498 15.9498 16.3337 16.3337 16.7555 16.7555 20.9566 20.9566 k = 0.4342 0.5000-0.0000 ( 5934 PWs) bands (ev): -42.2077 -42.2077 -18.9085 -18.9085 -18.2671 -18.2671 -18.2413 -18.2413 5.6740 5.6740 5.7142 5.7142 6.0834 6.0834 6.1668 6.1668 6.2127 6.2127 6.3045 6.3045 6.3479 6.3479 6.3948 6.3948 6.5605 6.5605 7.6105 7.6105 7.7249 7.7249 8.0085 8.0085 8.0462 8.0462 8.6144 8.6144 8.6617 8.6617 9.5527 9.5527 10.8980 10.8980 11.5418 11.5418 12.2433 12.2433 14.9886 14.9886 15.0439 15.0439 15.9475 15.9475 16.3320 16.3320 16.7451 16.7451 21.0549 21.0549 k = 0.4474 0.5000-0.0000 ( 5938 PWs) bands (ev): -42.2077 -42.2077 -18.9085 -18.9085 -18.2671 -18.2671 -18.2413 -18.2413 5.6779 5.6779 5.7156 5.7156 6.0975 6.0975 6.1635 6.1635 6.2270 6.2270 6.3070 6.3070 6.3497 6.3497 6.3812 6.3812 6.5409 6.5409 7.6115 7.6115 7.7253 7.7253 8.0073 8.0073 8.0486 8.0486 8.6216 8.6216 8.6616 8.6616 9.5792 9.5792 11.0135 11.0135 11.4859 11.4859 12.1086 12.1086 14.9921 14.9921 15.0286 15.0286 15.9455 15.9455 16.3310 16.3310 16.7367 16.7367 21.1544 21.1544 k = 0.4605 0.5000-0.0000 ( 5940 PWs) bands (ev): -42.2077 -42.2077 -18.9085 -18.9085 -18.2672 -18.2672 -18.2413 -18.2413 5.6809 5.6809 5.7168 5.7168 6.1080 6.1080 6.1609 6.1609 6.2433 6.2433 6.3092 6.3092 6.3485 6.3485 6.3692 6.3692 6.5247 6.5247 7.6122 7.6122 7.7255 7.7255 8.0065 8.0065 8.0506 8.0506 8.6273 8.6273 8.6615 8.6615 9.6010 9.6010 11.1287 11.1287 11.4411 11.4411 11.9783 11.9783 14.9944 14.9944 15.0170 15.0170 15.9439 15.9439 16.3304 16.3304 16.7300 16.7300 21.2545 21.2545 k = 0.4737 0.5000-0.0000 ( 5948 PWs) bands (ev): -42.2077 -42.2077 -18.9085 -18.9085 -18.2672 -18.2672 -18.2413 -18.2413 5.6830 5.6830 5.7176 5.7176 6.1150 6.1150 6.1592 6.1592 6.2614 6.2614 6.3108 6.3108 6.3388 6.3388 6.3642 6.3642 6.5124 6.5124 7.6127 7.6127 7.7256 7.7256 8.0059 8.0059 8.0521 8.0521 8.6314 8.6314 8.6615 8.6615 9.6174 9.6174 11.2399 11.2399 11.4084 11.4084 11.8560 11.8560 14.9953 14.9953 15.0095 15.0095 15.9428 15.9428 16.3301 16.3301 16.7253 16.7253 21.3540 21.3540 k = 0.4868 0.5000-0.0000 ( 5964 PWs) bands (ev): -42.2077 -42.2077 -18.9086 -18.9086 -18.2672 -18.2672 -18.2413 -18.2413 5.6843 5.6843 5.7181 5.7181 6.1189 6.1189 6.1582 6.1582 6.2800 6.2800 6.3116 6.3116 6.3232 6.3232 6.3639 6.3639 6.5047 6.5047 7.6130 7.6130 7.7257 7.7257 8.0056 8.0056 8.0530 8.0530 8.6338 8.6338 8.6615 8.6615 9.6275 9.6275 11.3352 11.3352 11.3896 11.3896 11.7529 11.7529 14.9948 14.9948 15.0060 15.0060 15.9421 15.9421 16.3300 16.3300 16.7225 16.7225 21.4495 21.4495 k = 0.5000 0.5000-0.0000 ( 5960 PWs) bands (ev): -42.2077 -42.2077 -18.9086 -18.9086 -18.2672 -18.2672 -18.2413 -18.2413 5.6847 5.6847 5.7183 5.7183 6.1202 6.1202 6.1579 6.1579 6.2930 6.2930 6.3089 6.3089 6.3139 6.3139 6.3641 6.3641 6.5021 6.5021 7.6131 7.6131 7.7257 7.7257 8.0055 8.0055 8.0533 8.0533 8.6347 8.6347 8.6615 8.6615 9.6309 9.6309 11.3715 11.3715 11.3919 11.3919 11.7053 11.7053 14.9943 14.9943 15.0051 15.0051 15.9418 15.9418 16.3300 16.3300 16.7215 16.7215 21.5138 21.5138 k = 0.5000 0.5000-0.0000 ( 5960 PWs) bands (ev): -42.2077 -42.2077 -18.9086 -18.9086 -18.2672 -18.2672 -18.2413 -18.2413 5.6847 5.6847 5.7183 5.7183 6.1202 6.1202 6.1579 6.1579 6.2930 6.2930 6.3089 6.3089 6.3139 6.3139 6.3641 6.3641 6.5021 6.5021 7.6131 7.6131 7.7257 7.7257 8.0055 8.0055 8.0533 8.0533 8.6347 8.6347 8.6615 8.6615 9.6309 9.6309 11.3715 11.3715 11.3919 11.3919 11.7053 11.7053 14.9943 14.9943 15.0051 15.0051 15.9418 15.9418 16.3300 16.3300 16.7215 16.7215 21.5138 21.5434 k = 0.4906 0.4906-0.0000 ( 5958 PWs) bands (ev): -42.2077 -42.2077 -18.9086 -18.9086 -18.2672 -18.2672 -18.2413 -18.2413 5.6843 5.6843 5.7181 5.7181 6.1189 6.1189 6.1582 6.1582 6.2796 6.2796 6.3116 6.3116 6.3235 6.3235 6.3639 6.3639 6.5047 6.5047 7.6130 7.6130 7.7257 7.7257 8.0056 8.0056 8.0530 8.0530 8.6338 8.6338 8.6615 8.6615 9.6273 9.6273 11.3397 11.3397 11.3836 11.3836 11.7547 11.7547 14.9949 14.9949 15.0059 15.0059 15.9421 15.9421 16.3300 16.3300 16.7225 16.7225 21.4483 21.4483 k = 0.4811 0.4811-0.0000 ( 5958 PWs) bands (ev): -42.2077 -42.2077 -18.9085 -18.9085 -18.2672 -18.2672 -18.2413 -18.2413 5.6830 5.6830 5.7176 5.7176 6.1150 6.1150 6.1592 6.1592 6.2600 6.2600 6.3107 6.3107 6.3400 6.3400 6.3644 6.3644 6.5124 6.5124 7.6125 7.6125 7.7257 7.7257 8.0058 8.0058 8.0521 8.0521 8.6312 8.6312 8.6615 8.6615 9.6164 9.6164 11.2586 11.2586 11.3834 11.3834 11.8638 11.8638 14.9962 14.9962 15.0087 15.0087 15.9428 15.9428 16.3301 16.3301 16.7254 16.7254 21.3518 21.3518 k = 0.4717 0.4717-0.0000 ( 5936 PWs) bands (ev): -42.2077 -42.2077 -18.9085 -18.9085 -18.2672 -18.2672 -18.2413 -18.2413 5.6808 5.6808 5.7167 5.7167 6.1085 6.1085 6.1606 6.1606 6.2398 6.2398 6.3085 6.3085 6.3515 6.3515 6.3705 6.3705 6.5245 6.5245 7.6114 7.6114 7.7263 7.7263 8.0061 8.0061 8.0510 8.0510 8.6269 8.6269 8.6617 8.6617 9.5975 9.5975 11.1714 11.1714 11.3855 11.3855 11.9960 11.9960 14.9975 14.9975 15.0142 15.0142 15.9440 15.9440 16.3303 16.3303 16.7304 16.7304 21.2521 21.2521 k = 0.4623 0.4623-0.0000 ( 5932 PWs) bands (ev): -42.2077 -42.2077 -18.9085 -18.9085 -18.2671 -18.2671 -18.2413 -18.2413 5.6777 5.6777 5.7154 5.7154 6.0992 6.0992 6.1617 6.1617 6.2205 6.2205 6.3049 6.3049 6.3555 6.3555 6.3849 6.3849 6.5400 6.5400 7.6089 7.6089 7.7277 7.7277 8.0061 8.0061 8.0499 8.0499 8.6210 8.6210 8.6622 8.6622 9.5697 9.5697 11.0920 11.0920 11.3888 11.3888 12.1392 12.1392 14.9984 14.9984 15.0229 15.0229 15.9457 15.9457 16.3305 16.3305 16.7374 16.7374 21.1529 21.1529 k = 0.4528 0.4528-0.0000 ( 5932 PWs) bands (ev): -42.2077 -42.2077 -18.9085 -18.9085 -18.2671 -18.2671 -18.2413 -18.2413 5.6738 5.6738 5.7138 5.7138 6.0875 6.0875 6.1603 6.1603 6.2039 6.2039 6.3004 6.3004 6.3578 6.3578 6.4021 6.4021 6.5583 6.5583 7.6044 7.6044 7.7307 7.7307 8.0054 8.0054 8.0495 8.0495 8.6134 8.6134 8.6629 8.6629 9.5323 9.5323 11.0255 11.0255 11.3932 11.3932 12.2888 12.2888 14.9990 14.9990 15.0344 15.0344 15.9478 15.9478 16.3307 16.3307 16.7467 16.7467 21.0558 21.0558 k = 0.4434 0.4434-0.0000 ( 5932 PWs) bands (ev): -42.2077 -42.2077 -18.9084 -18.9084 -18.2670 -18.2670 -18.2412 -18.2412 5.6690 5.6690 5.7117 5.7117 6.0736 6.0736 6.1524 6.1524 6.1936 6.1936 6.2955 6.2955 6.3606 6.3606 6.4201 6.4201 6.5787 6.5787 7.5973 7.5973 7.7358 7.7358 8.0038 8.0038 8.0501 8.0501 8.6044 8.6044 8.6639 8.6639 9.4848 9.4848 10.9744 10.9744 11.3985 11.3985 12.4426 12.4426 14.9995 14.9995 15.0487 15.0487 15.9504 15.9504 16.3310 16.3310 16.7582 16.7582 20.9614 20.9614 k = 0.4340 0.4340-0.0000 ( 5940 PWs) bands (ev): -42.2077 -42.2077 -18.9084 -18.9084 -18.2669 -18.2669 -18.2412 -18.2412 5.6633 5.6633 5.7093 5.7093 6.0576 6.0576 6.1371 6.1371 6.1896 6.1896 6.2914 6.2914 6.3639 6.3639 6.4387 6.4387 6.6007 6.6007 7.5869 7.5869 7.7433 7.7433 8.0011 8.0011 8.0521 8.0521 8.5943 8.5943 8.6651 8.6651 9.4274 9.4274 10.9396 10.9396 11.4050 11.4050 12.5991 12.5991 14.9999 14.9999 15.0656 15.0656 15.9534 15.9534 16.3314 16.3314 16.7722 16.7722 20.8698 20.8698 k = 0.4245 0.4245-0.0000 ( 5956 PWs) bands (ev): -42.2077 -42.2077 -18.9083 -18.9083 -18.2669 -18.2669 -18.2411 -18.2411 5.6569 5.6569 5.7064 5.7064 6.0399 6.0399 6.1182 6.1182 6.1874 6.1874 6.2889 6.2889 6.3674 6.3674 6.4581 6.4581 6.6240 6.6240 7.5731 7.5731 7.7534 7.7534 7.9975 7.9975 8.0556 8.0556 8.5832 8.5832 8.6664 8.6664 9.3614 9.3614 10.9209 10.9209 11.4125 11.4125 12.7572 12.7572 15.0004 15.0004 15.0850 15.0850 15.9569 15.9569 16.3319 16.3319 16.7889 16.7889 20.7810 20.7810 k = 0.4151 0.4151-0.0000 ( 5952 PWs) bands (ev): -42.2077 -42.2077 -18.9082 -18.9082 -18.2668 -18.2668 -18.2411 -18.2411 5.6497 5.6497 5.7031 5.7031 6.0208 6.0208 6.0979 6.0979 6.1840 6.1840 6.2887 6.2887 6.3709 6.3709 6.4785 6.4785 6.6483 6.6483 7.5558 7.5558 7.7658 7.7658 7.9933 7.9933 8.0603 8.0603 8.5714 8.5714 8.6678 8.6678 9.2883 9.2883 10.9172 10.9172 11.4211 11.4211 12.9159 12.9159 15.0009 15.0009 15.1067 15.1067 15.9606 15.9606 16.3324 16.3324 16.8086 16.8086 20.6939 20.6939 k = 0.4057 0.4057-0.0000 ( 5946 PWs) bands (ev): -42.2077 -42.2077 -18.9082 -18.9082 -18.2666 -18.2666 -18.2410 -18.2410 5.6417 5.6417 5.6994 5.6994 6.0004 6.0004 6.0769 6.0769 6.1783 6.1783 6.2907 6.2907 6.3740 6.3740 6.5003 6.5003 6.6732 6.6732 7.5352 7.5352 7.7804 7.7804 7.9889 7.9889 8.0662 8.0662 8.5590 8.5590 8.6691 8.6691 9.2104 9.2104 10.9271 10.9271 11.4308 11.4308 13.0743 13.0743 15.0015 15.0015 15.1306 15.1306 15.9648 15.9648 16.3331 16.3331 16.8314 16.8314 20.6066 20.6066 k = 0.3962 0.3962-0.0000 ( 5956 PWs) bands (ev): -42.2077 -42.2077 -18.9081 -18.9081 -18.2665 -18.2665 -18.2410 -18.2410 5.6330 5.6330 5.6951 5.6951 5.9790 5.9790 6.0557 6.0557 6.1704 6.1704 6.2946 6.2946 6.3766 6.3766 6.5235 6.5235 6.6986 6.6986 7.5112 7.5112 7.7969 7.7969 7.9847 7.9847 8.0730 8.0730 8.5462 8.5462 8.6699 8.6699 9.1302 9.1302 10.9490 10.9490 11.4418 11.4418 13.2316 13.2316 15.0023 15.0023 15.1568 15.1568 15.9692 15.9692 16.3340 16.3340 16.8577 16.8577 20.5149 20.5149 k = 0.3868 0.3868-0.0000 ( 5960 PWs) bands (ev): -42.2077 -42.2077 -18.9080 -18.9080 -18.2664 -18.2664 -18.2409 -18.2409 5.6235 5.6235 5.6904 5.6904 5.9567 5.9567 6.0341 6.0341 6.1606 6.1606 6.2995 6.2995 6.3784 6.3784 6.5484 6.5484 6.7243 6.7243 7.4839 7.4839 7.8149 7.8149 7.9812 7.9812 8.0805 8.0805 8.5330 8.5330 8.6698 8.6698 9.0503 9.0503 10.9811 10.9811 11.4540 11.4540 13.3869 13.3869 15.0031 15.0031 15.1849 15.1849 15.9739 15.9739 16.3351 16.3351 16.8878 16.8878 20.4131 20.4131 k = 0.3774 0.3774-0.0000 ( 5964 PWs) bands (ev): -42.2077 -42.2077 -18.9079 -18.9079 -18.2662 -18.2662 -18.2408 -18.2408 5.6134 5.6134 5.6851 5.6851 5.9338 5.9338 6.0124 6.0124 6.1493 6.1493 6.3048 6.3048 6.3793 6.3793 6.5750 6.5750 6.7501 6.7501 7.4535 7.4535 7.8341 7.8341 7.9788 7.9788 8.0885 8.0885 8.5194 8.5194 8.6678 8.6678 8.9739 8.9739 11.0222 11.0222 11.4676 11.4676 13.5393 13.5393 15.0041 15.0041 15.2150 15.2150 15.9788 15.9788 16.3365 16.3365 16.9222 16.9222 20.2969 20.2969 k = 0.3679 0.3679-0.0000 ( 5960 PWs) bands (ev): -42.2078 -42.2078 -18.9078 -18.9078 -18.2661 -18.2661 -18.2407 -18.2407 5.6026 5.6026 5.6794 5.6794 5.9105 5.9105 5.9904 5.9904 6.1369 6.1369 6.3101 6.3101 6.3790 6.3790 6.6032 6.6032 6.7759 6.7759 7.4200 7.4200 7.8536 7.8536 7.9783 7.9783 8.0971 8.0971 8.5052 8.5052 8.6621 8.6621 8.9048 8.9048 11.0708 11.0708 11.4825 11.4825 13.6881 13.6881 15.0053 15.0053 15.2468 15.2468 15.9838 15.9838 16.3383 16.3383 16.9613 16.9613 20.1679 20.1679 k = 0.3585 0.3585-0.0000 ( 5958 PWs) bands (ev): -42.2078 -42.2078 -18.9077 -18.9077 -18.2659 -18.2659 -18.2406 -18.2406 5.5911 5.5911 5.6731 5.6731 5.8867 5.8867 5.9683 5.9683 6.1236 6.1236 6.3148 6.3148 6.3774 6.3774 6.6328 6.6328 6.8014 6.8014 7.3837 7.3837 7.8726 7.8726 7.9805 7.9805 8.1061 8.1061 8.4899 8.4899 8.6499 8.6499 8.8480 8.8480 11.1260 11.1260 11.4990 11.4990 13.8322 13.8322 15.0067 15.0067 15.2803 15.2803 15.9889 15.9889 16.3404 16.3404 17.0056 17.0056 20.0304 20.0304 k = 0.3491 0.3491-0.0000 ( 5956 PWs) bands (ev): -42.2078 -42.2078 -18.9075 -18.9075 -18.2657 -18.2657 -18.2406 -18.2406 5.5789 5.5789 5.6662 5.6662 5.8628 5.8628 5.9460 5.9460 6.1096 6.1096 6.3189 6.3189 6.3742 6.3742 6.6637 6.6637 6.8264 6.8264 7.3446 7.3446 7.8895 7.8895 7.9872 7.9872 8.1153 8.1153 8.4726 8.4726 8.6286 8.6286 8.8085 8.8085 11.1868 11.1868 11.5171 11.5171 13.9707 13.9707 15.0083 15.0083 15.3152 15.3152 15.9940 15.9940 16.3430 16.3430 17.0556 17.0556 19.8885 19.8885 k = 0.3396 0.3396-0.0000 ( 5956 PWs) bands (ev): -42.2078 -42.2078 -18.9074 -18.9074 -18.2656 -18.2656 -18.2405 -18.2405 5.5660 5.5660 5.6589 5.6589 5.8387 5.8387 5.9236 5.9236 6.0951 6.0951 6.3220 6.3220 6.3693 6.3693 6.6954 6.6954 6.8507 6.8507 7.3033 7.3033 7.9024 7.9024 8.0000 8.0000 8.1248 8.1248 8.4518 8.4518 8.6003 8.6003 8.7867 8.7867 11.2525 11.2525 11.5370 11.5370 14.1028 14.1028 15.0103 15.0103 15.3515 15.3515 15.9991 15.9991 16.3461 16.3461 17.1117 17.1117 19.7447 19.7447 k = 0.3302 0.3302-0.0000 ( 5960 PWs) bands (ev): -42.2078 -42.2078 -18.9073 -18.9073 -18.2654 -18.2654 -18.2404 -18.2404 5.5525 5.5525 5.6510 5.6510 5.8145 5.8145 5.9011 5.9011 6.0802 6.0802 6.3241 6.3241 6.3624 6.3624 6.7277 6.7277 6.8739 6.8739 7.2603 7.2603 7.9106 7.9106 8.0196 8.0196 8.1345 8.1345 8.4262 8.4262 8.5724 8.5724 8.7776 8.7776 11.3223 11.3223 11.5590 11.5590 14.2275 14.2275 15.0127 15.0127 15.3891 15.3891 16.0039 16.0039 16.3497 16.3497 17.1744 17.1744 19.6003 19.6003 k = 0.3208 0.3208-0.0000 ( 5960 PWs) bands (ev): -42.2078 -42.2078 -18.9072 -18.9072 -18.2652 -18.2652 -18.2403 -18.2403 5.5383 5.5383 5.6427 5.6427 5.7904 5.7904 5.8785 5.8785 6.0648 6.0648 6.3251 6.3251 6.3535 6.3535 6.7602 6.7602 6.8954 6.8954 7.2167 7.2167 7.9150 7.9150 8.0452 8.0452 8.1445 8.1445 8.3962 8.3962 8.5506 8.5506 8.7759 8.7759 11.3952 11.3952 11.5837 11.5837 14.3440 14.3440 15.0155 15.0155 15.4276 15.4276 16.0085 16.0085 16.3537 16.3537 17.2440 17.2440 19.4563 19.4563 k = 0.3113 0.3113-0.0000 ( 5952 PWs) bands (ev): -42.2078 -42.2078 -18.9070 -18.9070 -18.2650 -18.2650 -18.2401 -18.2401 5.5233 5.5233 5.6338 5.6338 5.7665 5.7665 5.8560 5.8560 6.0491 6.0491 6.3247 6.3247 6.3423 6.3423 6.7924 6.7924 6.9141 6.9141 7.1740 7.1740 7.9167 7.9167 8.0751 8.0751 8.1548 8.1548 8.3640 8.3640 8.5360 8.5360 8.7785 8.7785 11.4698 11.4698 11.6122 11.6122 14.4516 14.4516 15.0190 15.0190 15.4670 15.4670 16.0127 16.0127 16.3581 16.3581 17.3208 17.3208 19.3133 19.3133 k = 0.3019 0.3019-0.0000 ( 5958 PWs) bands (ev): -42.2079 -42.2079 -18.9069 -18.9069 -18.2647 -18.2647 -18.2400 -18.2400 5.5075 5.5075 5.6245 5.6245 5.7428 5.7428 5.8335 5.8335 6.0331 6.0331 6.3215 6.3215 6.3299 6.3299 6.8238 6.8238 6.9281 6.9281 7.1351 7.1351 7.9168 7.9168 8.1081 8.1081 8.1661 8.1661 8.3329 8.3329 8.5273 8.5273 8.7837 8.7837 11.5430 11.5430 11.6474 11.6474 14.5497 14.5497 15.0232 15.0232 15.5071 15.5071 16.0164 16.0164 16.3629 16.3629 17.4047 17.4047 19.1721 19.1721 k = 0.2925 0.2925-0.0000 ( 5954 PWs) bands (ev): -42.2079 -42.2079 -18.9067 -18.9067 -18.2645 -18.2645 -18.2399 -18.2399 5.4909 5.4909 5.6148 5.6148 5.7194 5.7194 5.8111 5.8111 6.0168 6.0168 6.3087 6.3087 6.3229 6.3229 6.8533 6.8533 6.9343 6.9343 7.1047 7.1047 7.9158 7.9158 8.1421 8.1421 8.1798 8.1798 8.3048 8.3048 8.5233 8.5233 8.7908 8.7908 11.6074 11.6074 11.6966 11.6966 14.6378 14.6378 15.0286 15.0286 15.5478 15.5478 16.0195 16.0195 16.3678 16.3678 17.4953 17.4953 19.0329 19.0329 k = 0.2830 0.2830-0.0000 ( 5950 PWs) bands (ev): -42.2079 -42.2079 -18.9066 -18.9066 -18.2643 -18.2643 -18.2398 -18.2398 5.4734 5.4734 5.6046 5.6046 5.6965 5.6965 5.7890 5.7890 6.0002 6.0002 6.2889 6.2889 6.3184 6.3184 6.8774 6.8774 6.9316 6.9316 7.0881 7.0881 7.9139 7.9139 8.1704 8.1704 8.2021 8.2021 8.2811 8.2811 8.5229 8.5229 8.7993 8.7993 11.6572 11.6572 11.7655 11.7655 14.7153 14.7153 15.0354 15.0354 15.5890 15.5890 16.0217 16.0217 16.3727 16.3727 17.5920 17.5920 18.8966 18.8966 k = 0.2736 0.2736-0.0000 ( 5950 PWs) bands (ev): -42.2079 -42.2079 -18.9064 -18.9064 -18.2640 -18.2640 -18.2397 -18.2397 5.4549 5.4549 5.5941 5.5941 5.6741 5.6741 5.7670 5.7670 5.9834 5.9834 6.2652 6.2652 6.3129 6.3129 6.8811 6.8811 6.9348 6.9348 7.0859 7.0859 7.9113 7.9113 8.1878 8.1878 8.2369 8.2369 8.2634 8.2634 8.5254 8.5254 8.8089 8.8089 11.6982 11.6982 11.8480 11.8480 14.7820 14.7820 15.0444 15.0444 15.6303 15.6303 16.0231 16.0231 16.3776 16.3776 17.6934 17.6934 18.7638 18.7638 k = 0.2642 0.2642-0.0000 ( 5958 PWs) bands (ev): -42.2079 -42.2079 -18.9062 -18.9062 -18.2638 -18.2638 -18.2396 -18.2396 5.4353 5.4353 5.5832 5.5832 5.6525 5.6525 5.7454 5.7454 5.9664 5.9664 6.2378 6.2378 6.3062 6.3062 6.8591 6.8591 6.9547 6.9547 7.0933 7.0933 7.9081 7.9081 8.2003 8.2003 8.2458 8.2458 8.2838 8.2838 8.5306 8.5306 8.8195 8.8195 11.7373 11.7373 11.9374 11.9374 14.8373 14.8373 15.0563 15.0563 15.6717 15.6717 16.0234 16.0234 16.3822 16.3822 17.7974 17.7974 18.6363 18.6363 k = 0.2547 0.2547-0.0000 ( 5952 PWs) bands (ev): -42.2079 -42.2079 -18.9061 -18.9061 -18.2636 -18.2636 -18.2394 -18.2394 5.4146 5.4146 5.5720 5.5720 5.6316 5.6316 5.7241 5.7241 5.9492 5.9492 6.2069 6.2069 6.2981 6.2981 6.8294 6.8294 6.9788 6.9788 7.1055 7.1055 7.9046 7.9046 8.2090 8.2090 8.2402 8.2402 8.3292 8.3292 8.5381 8.5381 8.8310 8.8310 11.7772 11.7772 12.0309 12.0309 14.8811 14.8811 15.0717 15.0717 15.7131 15.7131 16.0224 16.0224 16.3863 16.3863 17.8996 17.8996 18.5174 18.5174 k = 0.2453 0.2453-0.0000 ( 5944 PWs) bands (ev): -42.2080 -42.2080 -18.9059 -18.9059 -18.2633 -18.2633 -18.2393 -18.2393 5.3926 5.3926 5.5604 5.5604 5.6117 5.6117 5.7032 5.7032 5.9317 5.9317 6.1727 6.1727 6.2888 6.2888 6.7995 6.7995 7.0027 7.0027 7.1196 7.1196 7.9009 7.9009 8.2107 8.2107 8.2450 8.2450 8.3772 8.3772 8.5482 8.5482 8.8432 8.8432 11.8189 11.8189 12.1275 12.1275 14.9139 14.9139 15.0906 15.0906 15.7541 15.7541 16.0201 16.0201 16.3899 16.3899 17.9889 17.9889 18.4172 18.4172 k = 0.2358 0.2358-0.0000 ( 5938 PWs) bands (ev): -42.2080 -42.2080 -18.9057 -18.9057 -18.2630 -18.2630 -18.2392 -18.2392 5.3694 5.3694 5.5485 5.5485 5.5929 5.5929 5.6828 5.6828 5.9140 5.9140 6.1357 6.1357 6.2783 6.2783 6.7717 6.7717 7.0255 7.0255 7.1342 7.1342 7.8970 7.8970 8.2084 8.2084 8.2573 8.2573 8.4258 8.4258 8.5614 8.5614 8.8563 8.8563 11.8631 11.8631 12.2264 12.2264 14.9374 14.9374 15.1121 15.1121 15.7946 15.7946 16.0163 16.0163 16.3927 16.3927 18.0343 18.0343 18.3655 18.3655 k = 0.2264 0.2264-0.0000 ( 5938 PWs) bands (ev): -42.2080 -42.2080 -18.9056 -18.9056 -18.2628 -18.2628 -18.2391 -18.2391 5.3449 5.3449 5.5364 5.5364 5.5751 5.5751 5.6629 5.6629 5.8960 5.8960 6.0965 6.0965 6.2667 6.2667 6.7470 6.7470 7.0469 7.0469 7.1487 7.1487 7.8931 7.8931 8.2063 8.2063 8.2727 8.2727 8.4728 8.4728 8.5792 8.5792 8.8700 8.8700 11.9102 11.9102 12.3275 12.3275 14.9540 14.9540 15.1345 15.1345 15.8338 15.8338 16.0112 16.0112 16.3946 16.3946 17.9998 17.9998 18.3970 18.3970 k = 0.2170 0.2170-0.0000 ( 5950 PWs) bands (ev): -42.2080 -42.2080 -18.9054 -18.9054 -18.2625 -18.2625 -18.2389 -18.2389 5.3190 5.3190 5.5241 5.5241 5.5583 5.5583 5.6435 5.6435 5.8776 5.8776 6.0561 6.0561 6.2542 6.2542 6.7255 6.7255 7.0670 7.0670 7.1626 7.1626 7.8894 7.8894 8.2054 8.2054 8.2897 8.2897 8.5139 8.5139 8.6054 8.6054 8.8845 8.8845 11.9603 11.9603 12.4303 12.4303 14.9659 14.9659 15.1560 15.1560 15.8708 15.8708 16.0055 16.0055 16.3954 16.3954 17.9141 17.9141 18.4818 18.4818 k = 0.2075 0.2075-0.0000 ( 5952 PWs) bands (ev): -42.2080 -42.2080 -18.9052 -18.9052 -18.2623 -18.2623 -18.2388 -18.2388 5.2920 5.2920 5.5117 5.5117 5.5427 5.5427 5.6248 5.6248 5.8587 5.8587 6.0153 6.0153 6.2409 6.2409 6.7071 6.7071 7.0857 7.0857 7.1757 7.1757 7.8857 7.8857 8.2059 8.2059 8.3078 8.3078 8.5450 8.5450 8.6435 8.6435 8.8996 8.8996 12.0138 12.0138 12.5347 12.5347 14.9747 14.9747 15.1757 15.1757 15.9027 15.9027 16.0017 16.0017 16.3950 16.3950 17.8123 17.8123 18.5834 18.5834 k = 0.1981 0.1981-0.0000 ( 5950 PWs) bands (ev): -42.2081 -42.2081 -18.9051 -18.9051 -18.2620 -18.2620 -18.2387 -18.2387 5.2638 5.2638 5.4992 5.4992 5.5281 5.5281 5.6067 5.6067 5.8390 5.8390 5.9754 5.9754 6.2269 6.2269 6.6916 6.6916 7.1030 7.1030 7.1880 7.1880 7.8823 7.8823 8.2078 8.2078 8.3266 8.3266 8.5673 8.5673 8.6914 8.6914 8.9154 8.9154 12.0709 12.0709 12.6405 12.6405 14.9815 14.9815 15.1929 15.1929 15.9220 15.9220 16.0065 16.0065 16.3933 16.3933 17.7068 17.7068 18.6885 18.6885 k = 0.1887 0.1887-0.0000 ( 5946 PWs) bands (ev): -42.2081 -42.2081 -18.9049 -18.9049 -18.2618 -18.2618 -18.2386 -18.2386 5.2347 5.2347 5.4868 5.4868 5.5143 5.5143 5.5893 5.5893 5.8181 5.8181 5.9373 5.9373 6.2126 6.2126 6.6784 6.6784 7.1191 7.1191 7.1993 7.1993 7.8790 7.8790 8.2107 8.2107 8.3459 8.3459 8.5850 8.5850 8.7444 8.7444 8.9319 8.9319 12.1318 12.1318 12.7474 12.7474 14.9869 14.9869 15.2076 15.2076 15.9216 15.9216 16.0266 16.0266 16.3901 16.3901 17.6018 17.6018 18.7918 18.7918 k = 0.1792 0.1792-0.0000 ( 5950 PWs) bands (ev): -42.2081 -42.2081 -18.9047 -18.9047 -18.2615 -18.2615 -18.2384 -18.2384 5.2047 5.2047 5.4747 5.4747 5.5013 5.5013 5.5726 5.5726 5.7956 5.7956 5.9022 5.9022 6.1979 6.1979 6.6674 6.6674 7.1339 7.1339 7.2096 7.2096 7.8760 7.8760 8.2146 8.2146 8.3654 8.3654 8.6005 8.6005 8.7992 8.7992 8.9493 8.9493 12.1966 12.1966 12.8552 12.8552 14.9914 14.9914 15.2196 15.2196 15.9066 15.9066 16.0564 16.0564 16.3855 16.3855 17.4990 17.4990 18.8909 18.8909 k = 0.1698 0.1698-0.0000 ( 5948 PWs) bands (ev): -42.2081 -42.2081 -18.9046 -18.9046 -18.2613 -18.2613 -18.2383 -18.2383 5.1741 5.1741 5.4629 5.4629 5.4889 5.4889 5.5567 5.5567 5.7711 5.7711 5.8710 5.8710 6.1832 6.1832 6.6581 6.6581 7.1475 7.1475 7.2190 7.2190 7.8732 7.8732 8.2193 8.2193 8.3849 8.3849 8.6150 8.6150 8.8535 8.8535 8.9683 8.9683 12.2656 12.2656 12.9636 12.9636 14.9951 14.9951 15.2291 15.2291 15.8831 15.8831 16.0893 16.0893 16.3792 16.3792 17.3993 17.3993 18.9840 18.9840 k = 0.1604 0.1604-0.0000 ( 5952 PWs) bands (ev): -42.2081 -42.2081 -18.9044 -18.9044 -18.2610 -18.2610 -18.2382 -18.2382 5.1431 5.1431 5.4516 5.4516 5.4771 5.4771 5.5417 5.5417 5.7446 5.7446 5.8441 5.8441 6.1685 6.1685 6.6502 6.6502 7.1600 7.1600 7.2276 7.2276 7.8706 7.8706 8.2245 8.2245 8.4042 8.4042 8.6288 8.6288 8.9049 8.9049 8.9901 8.9901 12.3388 12.3388 13.0725 13.0725 14.9983 14.9983 15.2359 15.2359 15.8531 15.8531 16.1227 16.1227 16.3714 16.3714 17.3032 17.3032 19.0701 19.0701 k = 0.1509 0.1509-0.0000 ( 5948 PWs) bands (ev): -42.2081 -42.2081 -18.9043 -18.9043 -18.2608 -18.2608 -18.2381 -18.2381 5.1120 5.1120 5.4408 5.4408 5.4658 5.4658 5.5274 5.5274 5.7168 5.7168 5.8211 5.8211 6.1541 6.1541 6.6436 6.6436 7.1714 7.1714 7.2354 7.2354 7.8683 7.8683 8.2303 8.2303 8.4231 8.4231 8.6423 8.6423 8.9492 8.9492 9.0181 9.0181 12.4163 12.4163 13.1815 13.1815 15.0010 15.0010 15.2402 15.2402 15.8173 15.8173 16.1554 16.1554 16.3619 16.3619 17.2111 17.2111 19.1476 19.1476 k = 0.1415 0.1415-0.0000 ( 5954 PWs) bands (ev): -42.2082 -42.2082 -18.9041 -18.9041 -18.2606 -18.2606 -18.2380 -18.2380 5.0810 5.0810 5.4304 5.4304 5.4550 5.4550 5.5140 5.5140 5.6887 5.6887 5.8013 5.8013 6.1399 6.1399 6.6379 6.6379 7.1816 7.1816 7.2424 7.2424 7.8662 7.8662 8.2363 8.2363 8.4414 8.4414 8.6554 8.6554 8.9822 8.9822 9.0559 9.0559 12.4983 12.4983 13.2902 13.2902 15.0033 15.0033 15.2419 15.2419 15.7756 15.7756 16.1868 16.1868 16.3510 16.3510 17.1234 17.1234 19.2135 19.2135 k = 0.1321 0.1321-0.0000 ( 5960 PWs) bands (ev): -42.2082 -42.2082 -18.9040 -18.9040 -18.2604 -18.2604 -18.2379 -18.2379 5.0504 5.0504 5.4207 5.4207 5.4447 5.4447 5.5015 5.5015 5.6612 5.6612 5.7839 5.7839 6.1263 6.1263 6.6331 6.6331 7.1909 7.1909 7.2489 7.2489 7.8644 7.8644 8.2425 8.2425 8.4589 8.4589 8.6682 8.6682 9.0061 9.0061 9.1006 9.1006 12.5847 12.5847 13.3984 13.3984 15.0052 15.0052 15.2409 15.2409 15.7282 15.7282 16.2162 16.2162 16.3390 16.3390 17.0402 17.0402 19.2562 19.2562 k = 0.1226 0.1226-0.0000 ( 5968 PWs) bands (ev): -42.2082 -42.2082 -18.9038 -18.9038 -18.2602 -18.2602 -18.2378 -18.2378 5.0205 5.0205 5.4115 5.4115 5.4350 5.4350 5.4898 5.4898 5.6348 5.6348 5.7684 5.7684 6.1132 6.1132 6.6290 6.6290 7.1990 7.1990 7.2548 7.2548 7.8627 7.8627 8.2488 8.2488 8.4755 8.4755 8.6807 8.6807 9.0255 9.0255 9.1473 9.1473 12.6755 12.6755 13.5056 13.5056 15.0068 15.0068 15.2370 15.2370 15.6752 15.6752 16.2426 16.2426 16.3269 16.3269 16.9619 16.9619 19.2379 19.2379 k = 0.1132 0.1132-0.0000 ( 5960 PWs) bands (ev): -42.2082 -42.2082 -18.9037 -18.9037 -18.2600 -18.2600 -18.2377 -18.2377 4.9917 4.9917 5.4029 5.4029 5.4257 5.4257 5.4790 5.4790 5.6101 5.6101 5.7545 5.7545 6.1007 6.1007 6.6255 6.6255 7.2062 7.2062 7.2602 7.2602 7.8613 7.8613 8.2550 8.2550 8.4911 8.4911 8.6929 8.6929 9.0426 9.0426 9.1931 9.1931 12.7707 12.7707 13.6112 13.6112 15.0081 15.0081 15.2297 15.2297 15.6167 15.6167 16.2622 16.2622 16.3182 16.3182 16.8885 16.8885 19.1590 19.1590 k = 0.1038 0.1038-0.0000 ( 5960 PWs) bands (ev): -42.2082 -42.2082 -18.9036 -18.9036 -18.2598 -18.2598 -18.2376 -18.2376 4.9641 4.9641 5.3949 5.3949 5.4171 5.4171 5.4692 5.4692 5.5872 5.5872 5.7419 5.7419 6.0890 6.0890 6.6225 6.6225 7.2124 7.2124 7.2652 7.2652 7.8601 7.8601 8.2611 8.2611 8.5055 8.5055 8.7045 8.7045 9.0583 9.0583 9.2369 9.2369 12.8700 12.8700 13.7146 13.7146 15.0090 15.0090 15.2185 15.2185 15.5535 15.5535 16.2662 16.2662 16.3221 16.3221 16.8203 16.8203 19.0671 19.0671 k = 0.0943 0.0943-0.0000 ( 5972 PWs) bands (ev): -42.2082 -42.2082 -18.9035 -18.9035 -18.2596 -18.2596 -18.2375 -18.2375 4.9380 4.9380 5.3875 5.3875 5.4090 5.4090 5.4602 5.4602 5.5664 5.5664 5.7305 5.7305 6.0781 6.0781 6.6199 6.6199 7.2177 7.2177 7.2699 7.2699 7.8591 7.8591 8.2669 8.2669 8.5187 8.5187 8.7157 8.7157 9.0728 9.0728 9.2779 9.2779 12.9733 12.9733 13.8152 13.8152 15.0095 15.0095 15.2021 15.2021 15.4871 15.4871 16.2551 16.2551 16.3380 16.3380 16.7575 16.7575 18.9784 18.9784 k = 0.0849 0.0849-0.0000 ( 5966 PWs) bands (ev): -42.2082 -42.2082 -18.9034 -18.9034 -18.2595 -18.2595 -18.2375 -18.2375 4.9138 4.9138 5.3807 5.3807 5.4016 5.4016 5.4520 5.4520 5.5476 5.5476 5.7203 5.7203 6.0680 6.0680 6.6176 6.6176 7.2221 7.2221 7.2742 7.2742 7.8583 7.8583 8.2723 8.2723 8.5306 8.5306 8.7263 8.7263 9.0861 9.0861 9.3157 9.3157 13.0803 13.0803 13.9119 13.9119 15.0094 15.0094 15.1789 15.1789 15.4197 15.4197 16.2383 16.2383 16.3570 16.3570 16.7001 16.7001 18.8967 18.8967 k = 0.0755 0.0755-0.0000 ( 5974 PWs) bands (ev): -42.2082 -42.2082 -18.9033 -18.9033 -18.2593 -18.2593 -18.2374 -18.2374 4.8915 4.8915 5.3745 5.3745 5.3949 5.3949 5.4448 5.4448 5.5308 5.5308 5.7111 5.7111 6.0589 6.0589 6.6157 6.6157 7.2258 7.2258 7.2781 7.2781 7.8576 7.8576 8.2774 8.2774 8.5413 8.5413 8.7362 8.7362 9.0984 9.0984 9.3500 9.3500 13.1906 13.1906 14.0034 14.0034 15.0082 15.0082 15.1465 15.1465 15.3552 15.3552 16.2197 16.2197 16.3755 16.3755 16.6484 16.6484 18.8234 18.8234 k = 0.0660 0.0660-0.0000 ( 5974 PWs) bands (ev): -42.2083 -42.2083 -18.9032 -18.9032 -18.2592 -18.2592 -18.2373 -18.2373 4.8714 4.8714 5.3690 5.3690 5.3889 5.3889 5.4384 5.4384 5.5161 5.5161 5.7030 5.7030 6.0508 6.0508 6.6141 6.6141 7.2287 7.2287 7.2817 7.2817 7.8571 7.8571 8.2820 8.2820 8.5506 8.5506 8.7452 8.7452 9.1094 9.1094 9.3807 9.3807 13.3037 13.3037 14.0878 14.0878 15.0041 15.0041 15.1040 15.1040 15.2980 15.2980 16.2007 16.2007 16.3923 16.3923 16.6025 16.6025 18.7590 18.7590 k = 0.0566 0.0566-0.0000 ( 5970 PWs) bands (ev): -42.2083 -42.2083 -18.9031 -18.9031 -18.2591 -18.2591 -18.2373 -18.2373 4.8536 4.8536 5.3642 5.3642 5.3837 5.3837 5.4328 5.4328 5.5035 5.5035 5.6959 5.6959 6.0437 6.0437 6.6128 6.6128 7.2311 7.2311 7.2848 7.2848 7.8567 7.8567 8.2861 8.2861 8.5586 8.5586 8.7533 8.7533 9.1192 9.1192 9.4075 9.4075 13.4191 13.4191 14.1623 14.1623 14.9897 14.9897 15.0597 15.0597 15.2498 15.2498 16.1822 16.1822 16.4072 16.4072 16.5626 16.5626 18.7036 18.7036 k = 0.0472 0.0472-0.0000 ( 5958 PWs) bands (ev): -42.2083 -42.2083 -18.9030 -18.9030 -18.2590 -18.2590 -18.2372 -18.2372 4.8384 4.8384 5.3601 5.3601 5.3792 5.3792 5.4282 5.4282 5.4928 5.4928 5.6900 5.6900 6.0376 6.0376 6.6116 6.6116 7.2329 7.2329 7.2876 7.2876 7.8563 7.8563 8.2897 8.2897 8.5653 8.5653 8.7604 8.7604 9.1276 9.1276 9.4304 9.4304 13.5359 13.5359 14.2224 14.2224 14.9486 14.9486 15.0363 15.0363 15.2090 15.2090 16.1651 16.1651 16.4200 16.4200 16.5287 16.5287 18.6572 18.6572 k = 0.0377 0.0377-0.0000 ( 5963 PWs) bands (ev): -42.2083 -42.2083 -18.9030 -18.9030 -18.2589 -18.2589 -18.2372 -18.2372 4.8258 4.8258 5.3567 5.3567 5.3756 5.3756 5.4244 5.4244 5.4842 5.4842 5.6851 5.6851 6.0326 6.0326 6.6107 6.6107 7.2344 7.2344 7.2898 7.2898 7.8561 7.8561 8.2926 8.2926 8.5708 8.5708 8.7663 8.7663 9.1346 9.1346 9.4492 9.4492 13.6531 13.6531 14.2614 14.2614 14.8944 14.8944 15.0303 15.0303 15.1725 15.1725 16.1499 16.1499 16.4303 16.4303 16.5010 16.5010 18.6196 18.6196 k = 0.0283 0.0283-0.0000 ( 5961 PWs) bands (ev): -42.2083 -42.2083 -18.9030 -18.9030 -18.2589 -18.2589 -18.2372 -18.2372 4.8158 4.8158 5.3540 5.3540 5.3727 5.3727 5.4214 5.4214 5.4774 5.4774 5.6812 5.6812 6.0287 6.0287 6.6101 6.6101 7.2354 7.2354 7.2916 7.2916 7.8559 7.8559 8.2949 8.2949 8.5750 8.5750 8.7710 8.7710 9.1401 9.1401 9.4639 9.4639 13.7694 13.7694 14.2709 14.2709 14.8495 14.8495 15.0301 15.0301 15.1389 15.1389 16.1374 16.1374 16.4379 16.4379 16.4799 16.4799 18.5907 18.5907 k = 0.0189 0.0189-0.0000 ( 5961 PWs) bands (ev): -42.2083 -42.2083 -18.9029 -18.9029 -18.2588 -18.2588 -18.2371 -18.2371 4.8087 4.8087 5.3521 5.3521 5.3706 5.3706 5.4193 5.4193 5.4727 5.4727 5.6785 5.6785 6.0259 6.0259 6.6096 6.6096 7.2361 7.2361 7.2929 7.2929 7.8558 7.8558 8.2966 8.2966 8.5781 8.5781 8.7744 8.7744 9.1441 9.1441 9.4745 9.4745 13.8825 13.8825 14.2451 14.2451 14.8234 14.8234 15.0330 15.0330 15.1085 15.1085 16.1280 16.1280 16.4421 16.4421 16.4660 16.4660 18.5701 18.5701 k = 0.0094 0.0094-0.0000 ( 5967 PWs) bands (ev): -42.2083 -42.2083 -18.9029 -18.9029 -18.2588 -18.2588 -18.2371 -18.2371 4.8044 4.8044 5.3510 5.3510 5.3694 5.3694 5.4180 5.4180 5.4698 5.4698 5.6769 5.6769 6.0242 6.0242 6.6093 6.6093 7.2365 7.2365 7.2937 7.2937 7.8557 7.8557 8.2976 8.2976 8.5799 8.5799 8.7764 8.7764 9.1465 9.1465 9.4808 9.4808 13.9882 13.9882 14.1884 14.1884 14.8138 14.8138 15.0387 15.0387 15.0839 15.0839 16.1222 16.1222 16.4425 16.4425 16.4599 16.4599 18.5579 18.5579 k = 0.0000 0.0000 0.0000 ( 5979 PWs) bands (ev): -42.2083 -42.2083 -18.9029 -18.9029 -18.2588 -18.2588 -18.2371 -18.2371 4.8029 4.8029 5.3506 5.3506 5.3690 5.3690 5.4176 5.4176 5.4689 5.4689 5.6763 5.6763 6.0236 6.0236 6.6092 6.6092 7.2367 7.2367 7.2940 7.2940 7.8557 7.8557 8.2979 8.2979 8.5805 8.5805 8.7771 8.7771 9.1473 9.1473 9.4829 9.4829 14.0576 14.0576 14.1345 14.1345 14.8121 14.8121 15.0434 15.0434 15.0724 15.0724 16.1202 16.1202 16.4417 16.4417 16.4588 16.4588 18.5538 18.5538 k = 0.0000 0.0000 0.0000 ( 5979 PWs) bands (ev): -42.2083 -42.2083 -18.9029 -18.9029 -18.2588 -18.2588 -18.2371 -18.2371 4.8029 4.8029 5.3506 5.3506 5.3690 5.3690 5.4176 5.4176 5.4689 5.4689 5.6763 5.6763 6.0236 6.0236 6.6092 6.6092 7.2367 7.2367 7.2940 7.2940 7.8557 7.8557 8.2979 8.2979 8.5805 8.5805 8.7771 8.7771 9.1473 9.1473 9.4829 9.4829 14.0576 14.0576 14.1345 14.1345 14.8121 14.8121 15.0434 15.0434 15.0724 15.0724 16.1202 16.1202 16.4417 16.4417 16.4588 16.4588 18.5538 18.5538 k = 0.0000 0.0000 0.0133 ( 5970 PWs) bands (ev): -42.2083 -42.2083 -18.9029 -18.9029 -18.2588 -18.2588 -18.2371 -18.2371 4.8043 4.8043 5.3511 5.3511 5.3695 5.3695 5.4181 5.4181 5.4699 5.4699 5.6768 5.6768 6.0240 6.0240 6.6089 6.6089 7.2362 7.2362 7.2933 7.2933 7.8555 7.8555 8.2980 8.2980 8.5794 8.5794 8.7767 8.7767 9.1469 9.1469 9.4828 9.4828 14.0575 14.0575 14.1356 14.1356 14.7984 14.7984 14.9536 14.9536 15.1663 15.1663 16.1200 16.1200 16.4430 16.4430 16.4606 16.4606 18.5506 18.5506 k = 0.0000 0.0000 0.0265 ( 5970 PWs) bands (ev): -42.2083 -42.2083 -18.9029 -18.9029 -18.2588 -18.2588 -18.2372 -18.2372 4.8083 4.8083 5.3526 5.3526 5.3711 5.3711 5.4198 5.4198 5.4729 5.4729 5.6781 5.6781 6.0250 6.0250 6.6081 6.6081 7.2348 7.2348 7.2912 7.2912 7.8547 7.8547 8.2980 8.2980 8.5763 8.5763 8.7752 8.7752 9.1456 9.1456 9.4824 9.4824 14.0573 14.0573 14.1387 14.1387 14.7335 14.7335 14.8889 14.8889 15.2675 15.2675 16.1194 16.1194 16.4469 16.4469 16.4663 16.4663 18.5411 18.5411 k = 0.0000 0.0000 0.0398 ( 5970 PWs) bands (ev): -42.2083 -42.2083 -18.9030 -18.9030 -18.2588 -18.2588 -18.2373 -18.2373 4.8149 4.8149 5.3551 5.3551 5.3738 5.3738 5.4225 5.4225 5.4780 5.4780 5.6803 5.6803 6.0268 6.0268 6.6067 6.6067 7.2325 7.2325 7.2876 7.2876 7.8535 7.8535 8.2982 8.2982 8.5712 8.5712 8.7728 8.7728 9.1435 9.1435 9.4818 9.4818 14.0570 14.0570 14.1437 14.1437 14.6139 14.6139 14.8686 14.8686 15.3606 15.3606 16.1183 16.1183 16.4535 16.4535 16.4759 16.4759 18.5253 18.5253 k = 0.0000 0.0000 0.0530 ( 5958 PWs) bands (ev): -42.2083 -42.2083 -18.9030 -18.9030 -18.2588 -18.2588 -18.2374 -18.2374 4.8241 4.8241 5.3587 5.3587 5.3774 5.3774 5.4264 5.4264 5.4852 5.4852 5.6834 5.6834 6.0293 6.0293 6.6047 6.6047 7.2292 7.2292 7.2827 7.2827 7.8518 7.8518 8.2984 8.2984 8.5641 8.5641 8.7695 8.7695 9.1405 9.1405 9.4809 9.4809 14.0568 14.0568 14.1503 14.1503 14.4716 14.4716 14.8621 14.8621 15.4450 15.4450 16.1168 16.1168 16.4629 16.4629 16.4894 16.4894 18.5032 18.5032 k = 0.0000 0.0000 0.0663 ( 5958 PWs) bands (ev): -42.2083 -42.2083 -18.9031 -18.9031 -18.2588 -18.2588 -18.2375 -18.2375 4.8358 4.8358 5.3632 5.3632 5.3821 5.3821 5.4314 5.4314 5.4944 5.4944 5.6874 5.6874 6.0325 6.0325 6.6022 6.6022 7.2250 7.2250 7.2763 7.2763 7.8495 7.8495 8.2986 8.2986 8.5552 8.5552 8.7652 8.7652 9.1369 9.1369 9.4798 9.4798 14.0568 14.0568 14.1584 14.1584 14.3181 14.3181 14.8592 14.8592 15.5205 15.5205 16.1149 16.1149 16.4752 16.4752 16.5070 16.5070 18.4750 18.4750 k = 0.0000 0.0000 0.0796 ( 5958 PWs) bands (ev): -42.2082 -42.2082 -18.9032 -18.9032 -18.2588 -18.2588 -18.2377 -18.2377 4.8501 4.8501 5.3687 5.3687 5.3877 5.3877 5.4376 5.4376 5.5056 5.5056 5.6922 5.6922 6.0365 6.0365 6.5992 6.5992 7.2198 7.2198 7.2685 7.2685 7.8468 7.8468 8.2988 8.2988 8.5445 8.5445 8.7601 8.7601 9.1327 9.1327 9.4785 9.4785 14.0571 14.0571 14.1567 14.1567 14.1675 14.1675 14.8571 14.8571 15.5878 15.5878 16.1126 16.1126 16.4905 16.4905 16.5288 16.5288 18.4408 18.4408 k = 0.0000 0.0000 0.0928 ( 5962 PWs) bands (ev): -42.2082 -42.2082 -18.9032 -18.9032 -18.2588 -18.2588 -18.2379 -18.2379 4.8668 4.8668 5.3751 5.3751 5.3942 5.3942 5.4450 5.4450 5.5188 5.5188 5.6979 5.6979 6.0412 6.0412 6.5956 6.5956 7.2137 7.2137 7.2592 7.2592 7.8435 7.8435 8.2991 8.2991 8.5321 8.5321 8.7541 8.7541 9.1279 9.1279 9.4771 9.4771 13.9891 13.9891 14.0578 14.0578 14.1776 14.1776 14.8550 14.8550 15.6472 15.6472 16.1099 16.1099 16.5091 16.5091 16.5551 16.5551 18.4008 18.4008 k = 0.0000 0.0000 0.1061 ( 5954 PWs) bands (ev): -42.2082 -42.2082 -18.9033 -18.9033 -18.2589 -18.2589 -18.2382 -18.2382 4.8858 4.8858 5.3825 5.3825 5.4015 5.4015 5.4536 5.4536 5.5340 5.5340 5.7044 5.7044 6.0466 6.0466 6.5915 6.5915 7.2067 7.2067 7.2484 7.2484 7.8396 7.8396 8.2993 8.2993 8.5183 8.5183 8.7474 8.7474 9.1227 9.1227 9.4755 9.4755 13.8165 13.8165 14.0588 14.0588 14.1883 14.1883 14.8524 14.8524 15.6996 15.6996 16.1068 16.1068 16.5311 16.5311 16.5860 16.5860 18.3552 18.3552 k = 0.0000 0.0000 0.1193 ( 5962 PWs) bands (ev): -42.2082 -42.2082 -18.9035 -18.9035 -18.2589 -18.2589 -18.2384 -18.2384 4.9071 4.9071 5.3908 5.3908 5.4096 5.4096 5.4634 5.4634 5.5513 5.5513 5.7117 5.7117 6.0528 6.0528 6.5868 6.5868 7.1987 7.1987 7.2361 7.2361 7.8351 7.8351 8.2996 8.2996 8.5032 8.5032 8.7399 8.7399 9.1172 9.1172 9.4738 9.4738 13.6399 13.6399 14.0601 14.0601 14.1995 14.1995 14.8489 14.8489 15.7456 15.7456 16.1034 16.1034 16.5568 16.5568 16.6215 16.6215 18.3042 18.3042 k = 0.0000 0.0000 0.1326 ( 5974 PWs) bands (ev): -42.2082 -42.2082 -18.9036 -18.9036 -18.2589 -18.2589 -18.2387 -18.2387 4.9306 4.9306 5.4000 5.4000 5.4183 5.4183 5.4744 5.4744 5.5704 5.5704 5.7199 5.7199 6.0599 6.0599 6.5816 6.5816 7.1898 7.1898 7.2223 7.2223 7.8300 7.8300 8.2998 8.2998 8.4870 8.4870 8.7318 8.7318 9.1114 9.1114 9.4721 9.4721 13.4601 13.4601 14.0616 14.0616 14.2110 14.2110 14.8443 14.8443 15.7859 15.7859 16.0997 16.0997 16.5863 16.5863 16.6620 16.6620 18.2481 18.2481 k = 0.0000 0.0000 0.1459 ( 5974 PWs) bands (ev): -42.2082 -42.2082 -18.9037 -18.9037 -18.2589 -18.2589 -18.2390 -18.2390 4.9560 4.9560 5.4101 5.4101 5.4276 5.4276 5.4868 5.4868 5.5915 5.5915 5.7288 5.7288 6.0678 6.0678 6.5759 6.5759 7.1800 7.1800 7.2069 7.2069 7.8241 7.8241 8.2999 8.2999 8.4699 8.4699 8.7232 8.7232 9.1055 9.1055 9.4702 9.4702 13.2777 13.2777 14.0634 14.0634 14.2227 14.2227 14.8384 14.8384 15.8214 15.8214 16.0957 16.0957 16.6199 16.6199 16.7075 16.7075 18.1872 18.1872 k = 0.0000 0.0000 0.1591 ( 5958 PWs) bands (ev): -42.2082 -42.2082 -18.9039 -18.9039 -18.2590 -18.2590 -18.2393 -18.2393 4.9834 4.9834 5.4210 5.4210 5.4374 5.4374 5.5005 5.5005 5.6144 5.6144 5.7384 5.7384 6.0766 6.0766 6.5698 6.5698 7.1692 7.1692 7.1900 7.1900 7.8176 7.8176 8.2999 8.2999 8.4522 8.4522 8.7142 8.7142 9.0996 9.0996 9.4684 9.4684 13.0935 13.0935 14.0653 14.0653 14.2343 14.2343 14.8312 14.8312 15.8525 15.8525 16.0914 16.0914 16.6575 16.6575 16.7581 16.7581 18.1221 18.1221 k = 0.0000 0.0000 0.1724 ( 5958 PWs) bands (ev): -42.2081 -42.2081 -18.9040 -18.9040 -18.2590 -18.2590 -18.2397 -18.2397 5.0124 5.0124 5.4327 5.4327 5.4477 5.4477 5.5154 5.5154 5.6390 5.6390 5.7487 5.7487 6.0865 6.0865 6.5631 6.5631 7.1577 7.1577 7.1716 7.1716 7.8102 7.8102 8.2999 8.2999 8.4342 8.4342 8.7048 8.7048 9.0937 9.0937 9.4666 9.4666 12.9080 12.9080 14.0672 14.0672 14.2460 14.2460 14.8226 14.8226 15.8799 15.8799 16.0869 16.0869 16.6994 16.6994 16.8138 16.8138 18.0530 18.0530 k = 0.0000 0.0000 0.1856 ( 5954 PWs) bands (ev): -42.2081 -42.2081 -18.9042 -18.9042 -18.2590 -18.2590 -18.2401 -18.2401 5.0430 5.0430 5.4452 5.4452 5.4584 5.4584 5.5316 5.5316 5.6652 5.6652 5.7597 5.7597 6.0974 6.0974 6.5560 6.5560 7.1453 7.1453 7.1516 7.1516 7.8020 7.8020 8.2997 8.2997 8.4160 8.4160 8.6952 8.6952 9.0879 9.0879 9.4648 9.4648 12.7218 12.7218 14.0690 14.0690 14.2576 14.2576 14.8126 14.8126 15.9040 15.9040 16.0822 16.0822 16.7456 16.7456 16.8747 16.8747 17.9805 17.9805 k = 0.0000 0.0000 0.1989 ( 5958 PWs) bands (ev): -42.2081 -42.2081 -18.9043 -18.9043 -18.2590 -18.2590 -18.2404 -18.2404 5.0751 5.0751 5.4585 5.4585 5.4694 5.4694 5.5492 5.5492 5.6927 5.6927 5.7714 5.7714 6.1096 6.1096 6.5484 6.5484 7.1300 7.1300 7.1322 7.1322 7.7929 7.7929 8.2993 8.2993 8.3981 8.3981 8.6856 8.6856 9.0822 9.0822 9.4630 9.4630 12.5352 12.5352 14.0707 14.0707 14.2691 14.2691 14.8012 14.8012 15.9253 15.9253 16.0773 16.0773 16.7959 16.7959 16.9407 16.9407 17.9053 17.9053 k = 0.0000 0.0000 0.2121 ( 5958 PWs) bands (ev): -42.2081 -42.2081 -18.9045 -18.9045 -18.2591 -18.2591 -18.2408 -18.2408 5.1083 5.1083 5.4724 5.4724 5.4807 5.4807 5.5679 5.5679 5.7213 5.7213 5.7836 5.7836 6.1231 6.1231 6.5404 6.5404 7.1069 7.1069 7.1186 7.1186 7.7827 7.7827 8.2987 8.2987 8.3807 8.3807 8.6760 8.6760 9.0767 9.0767 9.4612 9.4612 12.3488 12.3488 14.0719 14.0719 14.2806 14.2806 14.7885 14.7885 15.9441 15.9441 16.0723 16.0723 16.8502 16.8502 17.0119 17.0119 17.8279 17.8279 k = 0.0000 0.0000 0.2254 ( 5962 PWs) bands (ev): -42.2081 -42.2081 -18.9047 -18.9047 -18.2591 -18.2591 -18.2412 -18.2412 5.1425 5.1425 5.4869 5.4869 5.4922 5.4922 5.5880 5.5880 5.7507 5.7507 5.7963 5.7963 6.1383 6.1383 6.5321 6.5321 7.0822 7.0822 7.1044 7.1044 7.7716 7.7716 8.2979 8.2979 8.3641 8.3641 8.6666 8.6666 9.0714 9.0714 9.4596 9.4596 12.1630 12.1630 14.0728 14.0728 14.2922 14.2922 14.7746 14.7746 15.9607 15.9607 16.0671 16.0671 16.9081 16.9081 17.0880 17.0880 17.7494 17.7494 k = 0.0000 0.0000 0.2387 ( 5962 PWs) bands (ev): -42.2080 -42.2080 -18.9049 -18.9049 -18.2591 -18.2591 -18.2416 -18.2416 5.1776 5.1776 5.5021 5.5021 5.5039 5.5039 5.6092 5.6092 5.7805 5.7805 5.8095 5.8095 6.1554 6.1554 6.5233 6.5233 7.0561 7.0561 7.0900 7.0900 7.7594 7.7594 8.2969 8.2969 8.3486 8.3486 8.6576 8.6576 9.0664 9.0664 9.4580 9.4580 11.9780 11.9780 14.0731 14.0731 14.3040 14.3040 14.7597 14.7597 15.9755 15.9755 16.0619 16.0619 16.9688 16.9688 17.1689 17.1689 17.6710 17.6710 k = 0.0000 0.0000 0.2519 ( 5978 PWs) bands (ev): -42.2080 -42.2080 -18.9050 -18.9050 -18.2592 -18.2592 -18.2420 -18.2420 5.2133 5.2133 5.5158 5.5158 5.5178 5.5178 5.6315 5.6315 5.8101 5.8101 5.8231 5.8231 6.1744 6.1744 6.5142 6.5142 7.0285 7.0285 7.0755 7.0755 7.7461 7.7461 8.2957 8.2957 8.3344 8.3344 8.6489 8.6489 9.0616 9.0616 9.4564 9.4564 11.7942 11.7942 14.0727 14.0727 14.3161 14.3161 14.7440 14.7440 15.9886 15.9886 16.0566 16.0566 17.0305 17.0305 17.2545 17.2545 17.5949 17.5949 k = 0.0000 0.0000 0.2652 ( 5958 PWs) bands (ev): -42.2080 -42.2080 -18.9052 -18.9052 -18.2592 -18.2592 -18.2425 -18.2425 5.2495 5.2495 5.5277 5.5277 5.5340 5.5340 5.6550 5.6550 5.8371 5.8371 5.8392 5.8392 6.1957 6.1957 6.5048 6.5048 6.9995 6.9995 7.0613 7.0613 7.7318 7.7318 8.2942 8.2942 8.3218 8.3218 8.6407 8.6407 9.0572 9.0572 9.4550 9.4550 11.6118 11.6118 14.0716 14.0716 14.3286 14.3286 14.7276 14.7276 16.0002 16.0002 16.0514 16.0514 17.0893 17.0893 17.3447 17.3447 17.5255 17.5255 k = 0.0000 0.0000 0.2784 ( 5954 PWs) bands (ev): -42.2080 -42.2080 -18.9054 -18.9054 -18.2592 -18.2592 -18.2429 -18.2429 5.2859 5.2859 5.5396 5.5396 5.5507 5.5507 5.6796 5.6796 5.8514 5.8514 5.8670 5.8670 6.2193 6.2193 6.4951 6.4951 6.9692 6.9692 7.0477 7.0477 7.7166 7.7166 8.2925 8.2925 8.3111 8.3111 8.6331 8.6331 9.0529 9.0529 9.4537 9.4537 11.4313 11.4313 14.0698 14.0698 14.3417 14.3417 14.7108 14.7108 16.0106 16.0106 16.0462 16.0462 17.1355 17.1355 17.4391 17.4391 17.4726 17.4726 k = 0.0000 0.0000 0.2917 ( 5954 PWs) bands (ev): -42.2080 -42.2080 -18.9056 -18.9056 -18.2593 -18.2593 -18.2433 -18.2433 5.3223 5.3223 5.5514 5.5514 5.5677 5.5677 5.7052 5.7052 5.8659 5.8659 5.8933 5.8933 6.2451 6.2451 6.4852 6.4852 6.9376 6.9376 7.0353 7.0353 7.7004 7.7004 8.2906 8.2906 8.3024 8.3024 8.6261 8.6261 9.0490 9.0490 9.4524 9.4524 11.2528 11.2528 14.0672 14.0672 14.3553 14.3553 14.6936 14.6936 16.0198 16.0198 16.0410 16.0410 17.1502 17.1502 17.4558 17.4558 17.5377 17.5377 k = 0.0000 0.0000 0.3050 ( 5954 PWs) bands (ev): -42.2079 -42.2079 -18.9058 -18.9058 -18.2593 -18.2593 -18.2437 -18.2437 5.3586 5.3586 5.5632 5.5632 5.5850 5.5850 5.7318 5.7318 5.8805 5.8805 5.9176 5.9176 6.2726 6.2726 6.4752 6.4752 6.9049 6.9049 7.0246 7.0246 7.6836 7.6836 8.2884 8.2884 8.2959 8.2959 8.6197 8.6197 9.0454 9.0454 9.4512 9.4512 11.0766 11.0766 14.0639 14.0639 14.3696 14.3696 14.6764 14.6764 16.0281 16.0281 16.0359 16.0359 17.1217 17.1217 17.4870 17.4870 17.6402 17.6402 k = 0.0000 0.0000 0.3182 ( 5942 PWs) bands (ev): -42.2079 -42.2079 -18.9059 -18.9059 -18.2593 -18.2593 -18.2441 -18.2441 5.3944 5.3944 5.5748 5.5748 5.6026 5.6026 5.7594 5.7594 5.8953 5.8953 5.9397 5.9397 6.3011 6.3011 6.4649 6.4649 6.8710 6.8710 7.0164 7.0164 7.6663 7.6663 8.2861 8.2861 8.2919 8.2919 8.6140 8.6140 9.0420 9.0420 9.4502 9.4502 10.9029 10.9029 14.0599 14.0599 14.3845 14.3845 14.6592 14.6592 16.0310 16.0310 16.0354 16.0354 17.0649 17.0649 17.5516 17.5516 17.7464 17.7464 k = 0.0000 0.0000 0.3315 ( 5958 PWs) bands (ev): -42.2079 -42.2079 -18.9061 -18.9061 -18.2594 -18.2594 -18.2444 -18.2444 5.4296 5.4296 5.5861 5.5861 5.6204 5.6204 5.7877 5.7877 5.9102 5.9102 5.9597 5.9597 6.3295 6.3295 6.4547 6.4547 6.8360 6.8360 7.0117 7.0117 7.6487 7.6487 8.2836 8.2836 8.2905 8.2905 8.6089 8.6089 9.0389 9.0389 9.4492 9.4492 10.7320 10.7320 14.0554 14.0554 14.4000 14.4000 14.6423 14.6423 16.0262 16.0262 16.0419 16.0419 16.9964 16.9964 17.6332 17.6332 17.8560 17.8560 k = 0.0000 0.0000 0.3447 ( 5958 PWs) bands (ev): -42.2079 -42.2079 -18.9063 -18.9063 -18.2594 -18.2594 -18.2448 -18.2448 5.4640 5.4640 5.5972 5.5972 5.6384 5.6384 5.8167 5.8167 5.9251 5.9251 5.9775 5.9775 6.3563 6.3563 6.4444 6.4444 6.8002 6.8002 7.0114 7.0114 7.6310 7.6310 8.2810 8.2810 8.2920 8.2920 8.6045 8.6045 9.0360 9.0360 9.4482 9.4482 10.5641 10.5641 14.0504 14.0504 14.4161 14.4161 14.6258 14.6258 16.0216 16.0216 16.0477 16.0477 16.9241 16.9241 17.7244 17.7244 17.9689 17.9689 k = 0.0000 0.0000 0.3580 ( 5970 PWs) bands (ev): -42.2079 -42.2079 -18.9064 -18.9064 -18.2594 -18.2594 -18.2451 -18.2451 5.4971 5.4971 5.6078 5.6078 5.6565 5.6565 5.8462 5.8462 5.9403 5.9403 5.9935 5.9935 6.3801 6.3801 6.4342 6.4342 6.7635 6.7635 7.0166 7.0166 7.6136 7.6136 8.2784 8.2784 8.2966 8.2966 8.6006 8.6006 9.0334 9.0334 9.4474 9.4474 10.3995 10.3995 14.0451 14.0451 14.4326 14.4326 14.6099 14.6099 16.0172 16.0172 16.0529 16.0529 16.8515 16.8515 17.8217 17.8217 18.0849 18.0849 k = 0.0000 0.0000 0.3713 ( 5974 PWs) bands (ev): -42.2078 -42.2078 -18.9065 -18.9065 -18.2595 -18.2595 -18.2455 -18.2455 5.5288 5.5288 5.6180 5.6180 5.6747 5.6747 5.8758 5.8758 5.9558 5.9558 6.0079 6.0079 6.3995 6.3995 6.4241 6.4241 6.7261 6.7261 7.0278 7.0278 7.5967 7.5967 8.2757 8.2757 8.3048 8.3048 8.5974 8.5974 9.0311 9.0311 9.4467 9.4467 10.2384 10.2384 14.0396 14.0396 14.4494 14.4494 14.5947 14.5947 16.0130 16.0130 16.0574 16.0574 16.7805 16.7805 17.9236 17.9236 18.2037 18.2037 k = 0.0000 0.0000 0.3845 ( 5974 PWs) bands (ev): -42.2078 -42.2078 -18.9067 -18.9067 -18.2595 -18.2595 -18.2458 -18.2458 5.5587 5.5587 5.6276 5.6276 5.6929 5.6929 5.9048 5.9048 5.9723 5.9723 6.0208 6.0208 6.4133 6.4133 6.4143 6.4143 6.6881 6.6881 7.0455 7.0455 7.5806 7.5806 8.2730 8.2730 8.3168 8.3168 8.5946 8.5946 9.0290 9.0290 9.4460 9.4460 10.0812 10.0812 14.0341 14.0341 14.4662 14.4662 14.5804 14.5804 16.0092 16.0092 16.0614 16.0614 16.7123 16.7123 18.0290 18.0290 18.3251 18.3251 k = 0.0000 0.0000 0.3978 ( 5978 PWs) bands (ev): -42.2078 -42.2078 -18.9068 -18.9068 -18.2595 -18.2595 -18.2461 -18.2461 5.5863 5.5863 5.6367 5.6367 5.7111 5.7111 5.9319 5.9319 5.9909 5.9909 6.0326 6.0326 6.4047 6.4047 6.4213 6.4213 6.6496 6.6496 7.0690 7.0690 7.5657 7.5657 8.2705 8.2705 8.3333 8.3333 8.5923 8.5923 9.0271 9.0271 9.4454 9.4454 9.9281 9.9281 14.0286 14.0286 14.4829 14.4829 14.5671 14.5671 16.0056 16.0056 16.0649 16.0649 16.6478 16.6478 18.1373 18.1373 18.4489 18.4489 k = 0.0000 0.0000 0.4110 ( 5982 PWs) bands (ev): -42.2078 -42.2078 -18.9069 -18.9069 -18.2595 -18.2595 -18.2463 -18.2463 5.6114 5.6114 5.6450 5.6450 5.7292 5.7292 5.9553 5.9553 6.0133 6.0133 6.0434 6.0434 6.3957 6.3957 6.4237 6.4237 6.6107 6.6107 7.0971 7.0971 7.5523 7.5523 8.2681 8.2681 8.3548 8.3548 8.5904 8.5904 9.0255 9.0255 9.4448 9.4448 9.7796 9.7796 14.0233 14.0233 14.4992 14.4992 14.5549 14.5549 16.0024 16.0024 16.0680 16.0680 16.5878 16.5878 18.2477 18.2477 18.5748 18.5748 k = 0.0000 0.0000 0.4243 ( 5982 PWs) bands (ev): -42.2078 -42.2078 -18.9070 -18.9070 -18.2595 -18.2595 -18.2466 -18.2466 5.6336 5.6336 5.6526 5.6526 5.7470 5.7470 5.9737 5.9737 6.0404 6.0404 6.0534 6.0534 6.3871 6.3871 6.4214 6.4214 6.5715 6.5715 7.1280 7.1280 7.5407 7.5407 8.2658 8.2658 8.3822 8.3822 8.5889 8.5889 9.0240 9.0240 9.4442 9.4442 9.6359 9.6359 14.0184 14.0184 14.5147 14.5147 14.5439 14.5439 15.9994 15.9994 16.0706 16.0706 16.5329 16.5329 18.3595 18.3595 18.7025 18.7025 k = 0.0000 0.0000 0.4376 ( 5982 PWs) bands (ev): -42.2078 -42.2078 -18.9071 -18.9071 -18.2596 -18.2596 -18.2468 -18.2468 5.6528 5.6528 5.6593 5.6593 5.7641 5.7641 5.9880 5.9880 6.0627 6.0627 6.0714 6.0714 6.3792 6.3792 6.4154 6.4154 6.5321 6.5321 7.1595 7.1595 7.5311 7.5311 8.2638 8.2638 8.4161 8.4161 8.5877 8.5877 9.0228 9.0228 9.4431 9.4431 9.4982 9.4982 14.0139 14.0139 14.5292 14.5292 14.5341 14.5341 15.9969 15.9969 16.0728 16.0728 16.4837 16.4837 18.4719 18.4719 18.8316 18.8316 k = 0.0000 0.0000 0.4508 ( 5978 PWs) bands (ev): -42.2078 -42.2078 -18.9072 -18.9072 -18.2596 -18.2596 -18.2469 -18.2469 5.6652 5.6652 5.6689 5.6689 5.7799 5.7799 5.9992 5.9992 6.0714 6.0714 6.1050 6.1050 6.3720 6.3720 6.4071 6.4071 6.4929 6.4929 7.1895 7.1895 7.5238 7.5238 8.2620 8.2620 8.4575 8.4575 8.5868 8.5868 9.0218 9.0218 9.3638 9.3638 9.4445 9.4445 14.0099 14.0099 14.5258 14.5258 14.5422 14.5422 15.9947 15.9947 16.0747 16.0747 16.4410 16.4410 18.5836 18.5836 18.9617 18.9617 k = 0.0000 0.0000 0.4641 ( 5970 PWs) bands (ev): -42.2077 -42.2077 -18.9073 -18.9073 -18.2596 -18.2596 -18.2471 -18.2471 5.6700 5.6700 5.6819 5.6819 5.7940 5.7940 6.0080 6.0080 6.0792 6.0792 6.1401 6.1401 6.3654 6.3654 6.3978 6.3978 6.4540 6.4540 7.2159 7.2159 7.5187 7.5187 8.2605 8.2605 8.5070 8.5070 8.5861 8.5861 9.0210 9.0210 9.2379 9.2379 9.4438 9.4438 14.0065 14.0065 14.5189 14.5189 14.5535 14.5535 15.9929 15.9929 16.0761 16.0761 16.4051 16.4051 18.6926 18.6926 19.0918 19.0918 k = 0.0000 0.0000 0.4773 ( 5958 PWs) bands (ev): -42.2077 -42.2077 -18.9073 -18.9073 -18.2596 -18.2596 -18.2472 -18.2472 5.6739 5.6739 5.6919 5.6919 5.8056 5.8056 6.0147 6.0147 6.0860 6.0860 6.1764 6.1764 6.3587 6.3587 6.3887 6.3887 6.4163 6.4163 7.2375 7.2375 7.5158 7.5158 8.2593 8.2593 8.5650 8.5650 8.5856 8.5856 9.0203 9.0203 9.1187 9.1187 9.4436 9.4436 14.0038 14.0038 14.5134 14.5134 14.5627 14.5627 15.9914 15.9914 16.0773 16.0773 16.3767 16.3767 18.7955 18.7955 19.2203 19.2203 k = 0.0000 0.0000 0.4906 ( 5958 PWs) bands (ev): -42.2077 -42.2077 -18.9074 -18.9074 -18.2596 -18.2596 -18.2473 -18.2473 5.6767 5.6767 5.6990 5.6990 5.8144 5.8144 6.0195 6.0195 6.0914 6.0914 6.2134 6.2134 6.3486 6.3486 6.3811 6.3811 6.3839 6.3839 7.2531 7.2531 7.5143 7.5143 8.2584 8.2584 8.5852 8.5852 8.6316 8.6316 9.0077 9.0077 9.0199 9.0199 9.4434 9.4434 14.0018 14.0018 14.5095 14.5095 14.5695 14.5695 15.9904 15.9904 16.0781 16.0781 16.3560 16.3560 18.8861 18.8861 19.3433 19.3433 k = 0.0000 0.0000 0.5039 ( 5958 PWs) bands (ev): -42.2077 -42.2077 -18.9074 -18.9074 -18.2596 -18.2596 -18.2473 -18.2473 5.6783 5.6783 5.7032 5.7032 5.8198 5.8198 6.0224 6.0224 6.0949 6.0949 6.2505 6.2505 6.3241 6.3241 6.3678 6.3678 6.3760 6.3760 7.2625 7.2625 7.5139 7.5139 8.2579 8.2579 8.5850 8.5850 8.7046 8.7046 8.9078 8.9078 9.0196 9.0196 9.4433 9.4433 14.0007 14.0007 14.5072 14.5072 14.5737 14.5737 15.9898 15.9898 16.0786 16.0786 16.3435 16.3435 18.9525 18.9525 19.4486 19.4486 k = 0.0000 0.0000 0.5171 ( 5974 PWs) bands (ev): -42.2077 -42.2077 -18.9074 -18.9074 -18.2596 -18.2596 -18.2473 -18.2473 5.6789 5.6789 5.7046 5.7046 5.8216 5.8216 6.0234 6.0234 6.0961 6.0961 6.2819 6.2819 6.2948 6.2948 6.3645 6.3645 6.3743 6.3743 7.2657 7.2657 7.5138 7.5138 8.2577 8.2577 8.5849 8.5849 8.7580 8.7580 8.8454 8.8454 9.0195 9.0195 9.4432 9.4432 14.0003 14.0003 14.5064 14.5064 14.5751 14.5751 15.9896 15.9896 16.0787 16.0787 16.3393 16.3393 18.9778 18.9778 19.4976 19.4976 k = 0.0000 0.0000 0.5171 ( 5974 PWs) bands (ev): -42.2077 -42.2077 -18.9074 -18.9074 -18.2596 -18.2596 -18.2473 -18.2473 5.6789 5.6789 5.7046 5.7046 5.8216 5.8216 6.0234 6.0234 6.0961 6.0961 6.2819 6.2819 6.2948 6.2948 6.3645 6.3645 6.3743 6.3743 7.2657 7.2657 7.5138 7.5138 8.2577 8.2577 8.5849 8.5849 8.7580 8.7580 8.8454 8.8454 9.0195 9.0195 9.4432 9.4432 14.0003 14.0003 14.5064 14.5064 14.5751 14.5751 15.9896 15.9896 16.0787 16.0787 16.3393 16.3393 18.9778 18.9778 19.4976 19.4976 k = 0.0000 0.0132 0.5171 ( 5970 PWs) bands (ev): -42.2077 -42.2077 -18.9074 -18.9074 -18.2596 -18.2596 -18.2473 -18.2473 5.6787 5.6787 5.7037 5.7037 5.8232 5.8232 6.0235 6.0235 6.0964 6.0964 6.2816 6.2816 6.2942 6.2942 6.3661 6.3661 6.3746 6.3746 7.2658 7.2658 7.5142 7.5142 8.2560 8.2560 8.5847 8.5847 8.7532 8.7532 8.8511 8.8511 9.0223 9.0223 9.4414 9.4414 13.9973 13.9973 14.5021 14.5021 14.5739 14.5739 15.9877 15.9877 16.0790 16.0790 16.3451 16.3451 18.9765 18.9765 19.4870 19.4870 k = 0.0000 0.0263 0.5171 ( 5954 PWs) bands (ev): -42.2077 -42.2077 -18.9074 -18.9074 -18.2596 -18.2596 -18.2473 -18.2473 5.6781 5.6781 5.7012 5.7012 5.8278 5.8278 6.0237 6.0237 6.0975 6.0975 6.2794 6.2794 6.2940 6.2940 6.3702 6.3702 6.3758 6.3758 7.2661 7.2661 7.5154 7.5154 8.2511 8.2511 8.5839 8.5839 8.7420 8.7420 8.8646 8.8646 9.0311 9.0311 9.4360 9.4360 13.9881 13.9881 14.4894 14.4894 14.5707 14.5707 15.9820 15.9820 16.0800 16.0800 16.3622 16.3622 18.9724 18.9724 19.4430 19.4430 k = 0.0000 0.0395 0.5171 ( 5958 PWs) bands (ev): -42.2077 -42.2077 -18.9074 -18.9074 -18.2597 -18.2597 -18.2473 -18.2473 5.6769 5.6769 5.6974 5.6974 5.8350 5.8350 6.0240 6.0240 6.0993 6.0993 6.2739 6.2739 6.2963 6.2963 6.3741 6.3741 6.3798 6.3798 7.2665 7.2665 7.5175 7.5175 8.2432 8.2432 8.5826 8.5826 8.7289 8.7289 8.8796 8.8796 9.0472 9.0472 9.4271 9.4271 13.9713 13.9713 14.4693 14.4693 14.5671 14.5671 15.9726 15.9726 16.0816 16.0816 16.3895 16.3895 18.9649 18.9649 19.3576 19.3576 k = 0.0000 0.0526 0.5171 ( 5970 PWs) bands (ev): -42.2077 -42.2077 -18.9074 -18.9074 -18.2597 -18.2597 -18.2473 -18.2473 5.6751 5.6751 5.6931 5.6931 5.8442 5.8442 6.0245 6.0245 6.1020 6.1020 6.2662 6.2662 6.3011 6.3011 6.3764 6.3764 6.3872 6.3872 7.2672 7.2672 7.5204 7.5204 8.2328 8.2328 8.5808 8.5808 8.7161 8.7161 8.8921 8.8921 9.0720 9.0720 9.4146 9.4146 13.9446 13.9446 14.4446 14.4446 14.5636 14.5636 15.9598 15.9598 16.0840 16.0840 16.4253 16.4253 18.9521 18.9521 19.2458 19.2458 k = 0.0000 0.0658 0.5171 ( 5994 PWs) bands (ev): -42.2077 -42.2077 -18.9074 -18.9074 -18.2597 -18.2597 -18.2473 -18.2473 5.6721 5.6721 5.6891 5.6891 5.8551 5.8551 6.0250 6.0250 6.1057 6.1057 6.2573 6.2573 6.3076 6.3076 6.3785 6.3785 6.3960 6.3960 7.2682 7.2682 7.5240 7.5240 8.2205 8.2205 8.5786 8.5786 8.7043 8.7043 8.9007 8.9007 9.1055 9.1055 9.3988 9.3988 13.9058 13.9058 14.4188 14.4188 14.5605 14.5605 15.9436 15.9436 16.0870 16.0870 16.4677 16.4677 18.9279 18.9279 19.1266 19.1266 k = 0.0000 0.0789 0.5171 ( 5990 PWs) bands (ev): -42.2077 -42.2077 -18.9074 -18.9074 -18.2598 -18.2598 -18.2473 -18.2473 5.6677 5.6677 5.6857 5.6857 5.8670 5.8670 6.0258 6.0258 6.1105 6.1105 6.2478 6.2478 6.3155 6.3155 6.3810 6.3810 6.4054 6.4054 7.2693 7.2693 7.5286 7.5286 8.2069 8.2069 8.5760 8.5760 8.6938 8.6938 8.9056 8.9056 9.1468 9.1468 9.3798 9.3798 13.8530 13.8530 14.3952 14.3952 14.5581 14.5581 15.9244 15.9244 16.0907 16.0907 16.5151 16.5151 18.8704 18.8704 19.0295 19.0295 k = 0.0000 0.0921 0.5171 ( 5984 PWs) bands (ev): -42.2077 -42.2077 -18.9075 -18.9075 -18.2599 -18.2599 -18.2473 -18.2473 5.6622 5.6622 5.6831 5.6831 5.8795 5.8795 6.0270 6.0270 6.1163 6.1163 6.2381 6.2381 6.3245 6.3245 6.3841 6.3841 6.4152 6.4152 7.2707 7.2707 7.5339 7.5339 8.1925 8.1925 8.5729 8.5729 8.6843 8.6843 8.9077 8.9077 9.1944 9.1944 9.3577 9.3577 13.7858 13.7858 14.3754 14.3754 14.5567 14.5567 15.9024 15.9024 16.0949 16.0949 16.5656 16.5656 18.7592 18.7592 18.9802 18.9802 k = 0.0000 0.1053 0.5171 ( 5976 PWs) bands (ev): -42.2077 -42.2077 -18.9075 -18.9075 -18.2599 -18.2599 -18.2473 -18.2473 5.6558 5.6558 5.6811 5.6811 5.8921 5.8921 6.0289 6.0289 6.1230 6.1230 6.2285 6.2285 6.3344 6.3344 6.3878 6.3878 6.4251 6.4251 7.2725 7.2725 7.5400 7.5400 8.1780 8.1780 8.5695 8.5695 8.6757 8.6757 8.9079 8.9079 9.2472 9.2472 9.3328 9.3328 13.7049 13.7049 14.3590 14.3590 14.5569 14.5569 15.8779 15.8779 16.0997 16.0997 16.6177 16.6177 18.6215 18.6215 18.9552 18.9552 k = 0.0000 0.1184 0.5171 ( 5980 PWs) bands (ev): -42.2077 -42.2077 -18.9075 -18.9075 -18.2600 -18.2600 -18.2473 -18.2473 5.6489 5.6489 5.6794 5.6794 5.9042 5.9042 6.0320 6.0320 6.1305 6.1305 6.2193 6.2193 6.3449 6.3449 6.3923 6.3923 6.4353 6.4353 7.2746 7.2746 7.5470 7.5470 8.1636 8.1636 8.5656 8.5656 8.6676 8.6676 8.9068 8.9068 9.2982 9.2982 9.3113 9.3113 13.6123 13.6123 14.3446 14.3446 14.5592 14.5592 15.8513 15.8513 16.1049 16.1049 16.6699 16.6699 18.4770 18.4770 18.9378 18.9378 k = 0.0000 0.1316 0.5171 ( 5976 PWs) bands (ev): -42.2077 -42.2077 -18.9076 -18.9076 -18.2601 -18.2601 -18.2473 -18.2473 5.6417 5.6417 5.6778 5.6778 5.9153 5.9153 6.0365 6.0365 6.1382 6.1382 6.2111 6.2111 6.3555 6.3555 6.3980 6.3980 6.4456 6.4456 7.2772 7.2772 7.5548 7.5548 8.1498 8.1498 8.5612 8.5612 8.6598 8.6598 8.9048 8.9048 9.2735 9.2735 9.3669 9.3669 13.5099 13.5099 14.3300 14.3300 14.5645 14.5645 15.8228 15.8228 16.1104 16.1104 16.7212 16.7212 18.3322 18.3322 18.9243 18.9243 k = 0.0000 0.1447 0.5171 ( 5984 PWs) bands (ev): -42.2077 -42.2077 -18.9076 -18.9076 -18.2602 -18.2602 -18.2472 -18.2472 5.6344 5.6344 5.6762 5.6762 5.9247 5.9247 6.0431 6.0431 6.1452 6.1452 6.2050 6.2050 6.3658 6.3658 6.4052 6.4052 6.4561 6.4561 7.2803 7.2803 7.5634 7.5634 8.1368 8.1368 8.5564 8.5564 8.6521 8.6521 8.9024 8.9024 9.2410 9.2410 9.4314 9.4314 13.3996 13.3996 14.3132 14.3132 14.5733 14.5733 15.7927 15.7927 16.1161 16.1161 16.7704 16.7704 18.1899 18.1899 18.9142 18.9142 k = 0.0000 0.1579 0.5171 ( 5982 PWs) bands (ev): -42.2077 -42.2077 -18.9076 -18.9076 -18.2603 -18.2603 -18.2472 -18.2472 5.6270 5.6270 5.6747 5.6747 5.9321 5.9321 6.0519 6.0519 6.1497 6.1497 6.2025 6.2025 6.3752 6.3752 6.4143 6.4143 6.4668 6.4668 7.2841 7.2841 7.5728 7.5728 8.1250 8.1250 8.5509 8.5509 8.6443 8.6443 8.8999 8.8999 9.2062 9.2062 9.4992 9.4992 13.2833 13.2833 14.2926 14.2926 14.5857 14.5857 15.7614 15.7614 16.1218 16.1218 16.8166 16.8166 18.0519 18.0519 18.9081 18.9081 k = 0.0000 0.1711 0.5171 ( 5986 PWs) bands (ev): -42.2077 -42.2077 -18.9077 -18.9077 -18.2605 -18.2605 -18.2472 -18.2472 5.6194 5.6194 5.6732 5.6732 5.9373 5.9373 6.0629 6.0629 6.1501 6.1501 6.2054 6.2054 6.3834 6.3834 6.4255 6.4255 6.4778 6.4778 7.2886 7.2886 7.5831 7.5831 8.1144 8.1144 8.5447 8.5447 8.6363 8.6363 8.8974 8.8974 9.1695 9.1695 9.5699 9.5699 13.1622 13.1622 14.2673 14.2673 14.6018 14.6018 15.7292 15.7292 16.1273 16.1273 16.8592 16.8592 17.9193 17.9193 18.9067 18.9067 k = 0.0000 0.1842 0.5171 ( 5988 PWs) bands (ev): -42.2077 -42.2077 -18.9077 -18.9077 -18.2606 -18.2606 -18.2472 -18.2472 5.6119 5.6119 5.6716 5.6716 5.9406 5.9406 6.0754 6.0754 6.1469 6.1469 6.2134 6.2134 6.3904 6.3904 6.4385 6.4385 6.4891 6.4891 7.2941 7.2941 7.5941 7.5941 8.1052 8.1052 8.5379 8.5379 8.6278 8.6278 8.8952 8.8952 9.1313 9.1313 9.6433 9.6433 13.0376 13.0376 14.2365 14.2365 14.6210 14.6210 15.6962 15.6962 16.1326 16.1326 16.8976 16.8976 17.7931 17.7931 18.9107 18.9107 k = 0.0000 0.1974 0.5171 ( 5988 PWs) bands (ev): -42.2077 -42.2077 -18.9077 -18.9077 -18.2607 -18.2607 -18.2472 -18.2472 5.6044 5.6044 5.6701 5.6701 5.9424 5.9424 6.0885 6.0885 6.1423 6.1423 6.2247 6.2247 6.3967 6.3967 6.4530 6.4530 6.5010 6.5010 7.3006 7.3006 7.6060 7.6060 8.0974 8.0974 8.5302 8.5302 8.6188 8.6188 8.8933 8.8933 9.0919 9.0919 9.7193 9.7193 12.9104 12.9104 14.1998 14.1998 14.6429 14.6429 15.6629 15.6629 16.1374 16.1374 16.9313 16.9313 17.6743 17.6743 18.9209 18.9209 k = 0.0000 0.2105 0.5171 ( 5980 PWs) bands (ev): -42.2077 -42.2077 -18.9078 -18.9078 -18.2608 -18.2608 -18.2471 -18.2471 5.5969 5.5969 5.6685 5.6685 5.9429 5.9429 6.0997 6.0997 6.1393 6.1393 6.2377 6.2377 6.4023 6.4023 6.4684 6.4684 6.5134 6.5134 7.3084 7.3084 7.6187 7.6187 8.0911 8.0911 8.5216 8.5216 8.6093 8.6093 8.8916 8.8916 9.0518 9.0518 9.7977 9.7977 12.7814 12.7814 14.1570 14.1570 14.6668 14.6668 15.6294 15.6294 16.1414 16.1414 16.9602 16.9602 17.5634 17.5634 18.9377 18.9377 k = 0.0000 0.2237 0.5171 ( 5986 PWs) bands (ev): -42.2077 -42.2077 -18.9078 -18.9078 -18.2610 -18.2610 -18.2471 -18.2471 5.5894 5.5894 5.6670 5.6670 5.9427 5.9427 6.1048 6.1048 6.1427 6.1427 6.2517 6.2517 6.4074 6.4074 6.4844 6.4844 6.5265 6.5265 7.3176 7.3176 7.6321 7.6321 8.0863 8.0863 8.5119 8.5119 8.5993 8.5993 8.8897 8.8897 9.0117 9.0117 9.8786 9.8786 12.6514 12.6514 14.1080 14.1080 14.6923 14.6923 15.5961 15.5961 16.1447 16.1447 16.9840 16.9840 17.4612 17.4612 18.9613 18.9613 k = 0.0000 0.2368 0.5171 ( 5992 PWs) bands (ev): -42.2077 -42.2077 -18.9079 -18.9079 -18.2611 -18.2611 -18.2471 -18.2471 5.5820 5.5820 5.6654 5.6654 5.9419 5.9419 6.1024 6.1024 6.1538 6.1538 6.2660 6.2660 6.4122 6.4122 6.5008 6.5008 6.5404 6.5404 7.3285 7.3285 7.6464 7.6464 8.0829 8.0829 8.5011 8.5011 8.5888 8.5888 8.8863 8.8863 8.9733 8.9733 9.9617 9.9617 12.5210 12.5210 14.0526 14.0526 14.7188 14.7188 15.5630 15.5630 16.1468 16.1468 17.0029 17.0029 17.3681 17.3681 18.9920 18.9920 k = 0.0000 0.2500 0.5171 ( 5988 PWs) bands (ev): -42.2076 -42.2076 -18.9079 -18.9079 -18.2613 -18.2613 -18.2470 -18.2470 5.5747 5.5747 5.6639 5.6639 5.9407 5.9407 6.0966 6.0966 6.1684 6.1684 6.2804 6.2804 6.4166 6.4166 6.5172 6.5172 6.5551 6.5551 7.3411 7.3411 7.6614 7.6614 8.0810 8.0810 8.4889 8.4889 8.5779 8.5779 8.8766 8.8766 8.9416 8.9416 10.0470 10.0470 12.3909 12.3909 13.9908 13.9908 14.7460 14.7460 15.5305 15.5305 16.1478 16.1478 17.0168 17.0168 17.2847 17.2847 19.0294 19.0294 k = 0.0000 0.2632 0.5171 ( 5998 PWs) bands (ev): -42.2076 -42.2076 -18.9080 -18.9080 -18.2614 -18.2614 -18.2470 -18.2470 5.5675 5.5675 5.6623 5.6623 5.9392 5.9392 6.0895 6.0895 6.1843 6.1843 6.2944 6.2944 6.4205 6.4205 6.5335 6.5335 6.5708 6.5708 7.3556 7.3556 7.6771 7.6771 8.0805 8.0805 8.4753 8.4753 8.5667 8.5667 8.8529 8.8529 8.9249 8.9249 10.1344 10.1344 12.2616 12.2616 13.9227 13.9227 14.7734 14.7734 15.4986 15.4986 16.1475 16.1475 17.0259 17.0259 17.2113 17.2113 19.0736 19.0736 k = 0.0000 0.2763 0.5171 ( 5988 PWs) bands (ev): -42.2076 -42.2076 -18.9080 -18.9080 -18.2615 -18.2615 -18.2470 -18.2470 5.5605 5.5605 5.6608 5.6608 5.9376 5.9376 6.0822 6.0822 6.2005 6.2005 6.3080 6.3080 6.4241 6.4241 6.5496 6.5496 6.5872 6.5872 7.3721 7.3721 7.6936 7.6936 8.0814 8.0814 8.4601 8.4601 8.5553 8.5553 8.8174 8.8174 8.9210 8.9210 10.2240 10.2240 12.1336 12.1336 13.8483 13.8483 14.8007 14.8007 15.4677 15.4677 16.1459 16.1459 17.0297 17.0297 17.1488 17.1488 19.1240 19.1240 k = 0.0000 0.2895 0.5171 ( 5988 PWs) bands (ev): -42.2076 -42.2076 -18.9081 -18.9081 -18.2617 -18.2617 -18.2470 -18.2470 5.5537 5.5537 5.6593 5.6593 5.9360 5.9360 6.0749 6.0749 6.2166 6.2166 6.3209 6.3209 6.4271 6.4271 6.5653 6.5653 6.6043 6.6043 7.3907 7.3907 7.7107 7.7107 8.0834 8.0834 8.4433 8.4433 8.5438 8.5438 8.7779 8.7779 8.9227 8.9227 10.3156 10.3156 12.0074 12.0074 13.7680 13.7680 14.8277 14.8277 15.4378 15.4378 16.1429 16.1429 17.0257 17.0257 17.0999 17.0999 19.1803 19.1803 k = 0.0000 0.3026 0.5171 ( 5988 PWs) bands (ev): -42.2076 -42.2076 -18.9081 -18.9081 -18.2618 -18.2618 -18.2469 -18.2469 5.5470 5.5470 5.6579 5.6579 5.9343 5.9343 6.0677 6.0677 6.2324 6.2324 6.3330 6.3330 6.4297 6.4297 6.5804 6.5804 6.6220 6.6220 7.4116 7.4116 7.7284 7.7284 8.0866 8.0866 8.4249 8.4249 8.5321 8.5321 8.7375 8.7375 8.9270 8.9270 10.4093 10.4093 11.8837 11.8837 13.6821 13.6821 14.8541 14.8541 15.4090 15.4090 16.1388 16.1388 17.0084 17.0084 17.0701 17.0701 19.2421 19.2421 k = 0.0000 0.3158 0.5171 ( 5984 PWs) bands (ev): -42.2076 -42.2076 -18.9081 -18.9081 -18.2620 -18.2620 -18.2469 -18.2469 5.5406 5.5406 5.6565 5.6565 5.9326 5.9326 6.0609 6.0609 6.2477 6.2477 6.3443 6.3443 6.4318 6.4318 6.5948 6.5948 6.6400 6.6400 7.4345 7.4345 7.7467 7.7467 8.0907 8.0907 8.4048 8.4048 8.5200 8.5200 8.6979 8.6979 8.9329 8.9329 10.5048 10.5048 11.7628 11.7628 13.5909 13.5909 14.8795 14.8795 15.3816 15.3816 16.1336 16.1336 16.9802 16.9802 17.0569 17.0569 19.3090 19.3090 k = 0.0000 0.3289 0.5171 ( 5978 PWs) bands (ev): -42.2076 -42.2076 -18.9082 -18.9082 -18.2621 -18.2621 -18.2469 -18.2469 5.5345 5.5345 5.6552 5.6552 5.9310 5.9310 6.0544 6.0544 6.2626 6.2626 6.3548 6.3548 6.4334 6.4334 6.6085 6.6085 6.6582 6.6582 7.4596 7.4596 7.7656 7.7656 8.0955 8.0955 8.3832 8.3832 8.5073 8.5073 8.6599 8.6599 8.9400 8.9400 10.6023 10.6023 11.6454 11.6454 13.4949 13.4949 14.9040 14.9040 15.3556 15.3556 16.1277 16.1277 16.9518 16.9518 17.0494 17.0494 19.3803 19.3803 k = 0.0000 0.3421 0.5171 ( 5978 PWs) bands (ev): -42.2076 -42.2076 -18.9082 -18.9082 -18.2622 -18.2622 -18.2468 -18.2468 5.5287 5.5287 5.6539 5.6539 5.9295 5.9295 6.0482 6.0482 6.2768 6.2768 6.3645 6.3645 6.4345 6.4345 6.6212 6.6212 6.6763 6.6763 7.4866 7.4866 7.7848 7.7848 8.1007 8.1007 8.3603 8.3603 8.4938 8.4938 8.6245 8.6245 8.9480 8.9480 10.7016 10.7016 11.5321 11.5321 13.3946 13.3946 14.9272 14.9272 15.3312 15.3312 16.1212 16.1212 16.9274 16.9274 17.0429 17.0429 19.4558 19.4558 k = 0.0000 0.3553 0.5171 ( 5994 PWs) bands (ev): -42.2076 -42.2076 -18.9083 -18.9083 -18.2623 -18.2623 -18.2468 -18.2468 5.5232 5.5232 5.6526 5.6526 5.9281 5.9281 6.0425 6.0425 6.2903 6.2903 6.3734 6.3734 6.4352 6.4352 6.6329 6.6329 6.6940 6.6940 7.5155 7.5155 7.8044 7.8044 8.1057 8.1057 8.3364 8.3364 8.4789 8.4789 8.5925 8.5925 8.9569 8.9569 10.8027 10.8027 11.4233 11.4233 13.2905 13.2905 14.9490 14.9490 15.3084 15.3084 16.1145 16.1145 16.9075 16.9075 17.0365 17.0365 19.5349 19.5349 k = 0.0000 0.3684 0.5171 ( 5992 PWs) bands (ev): -42.2076 -42.2076 -18.9083 -18.9083 -18.2624 -18.2624 -18.2468 -18.2468 5.5181 5.5181 5.6515 5.6515 5.9267 5.9267 6.0372 6.0372 6.3030 6.3030 6.3815 6.3815 6.4354 6.4354 6.6435 6.6435 6.7111 6.7111 7.5461 7.5461 7.8241 7.8241 8.1097 8.1097 8.3118 8.3118 8.4625 8.4625 8.5647 8.5647 8.9664 8.9664 10.9055 10.9055 11.3200 11.3200 13.1831 13.1831 14.9693 14.9693 15.2873 15.2873 16.1079 16.1079 16.8919 16.8919 17.0300 17.0300 19.6174 19.6174 k = 0.0000 0.3816 0.5171 ( 5992 PWs) bands (ev): -42.2076 -42.2076 -18.9083 -18.9083 -18.2625 -18.2625 -18.2468 -18.2468 5.5134 5.5134 5.6504 5.6504 5.9255 5.9255 6.0324 6.0324 6.3150 6.3150 6.3889 6.3889 6.4352 6.4352 6.6531 6.6531 6.7275 6.7275 7.5780 7.5780 7.8440 7.8440 8.1117 8.1117 8.2876 8.2876 8.4447 8.4447 8.5415 8.5415 8.9764 8.9764 11.0095 11.0095 11.2231 11.2231 13.0730 13.0730 14.9880 14.9880 15.2680 15.2680 16.1014 16.1014 16.8798 16.8798 17.0235 17.0235 19.7027 19.7027 k = 0.0000 0.3947 0.5171 ( 5986 PWs) bands (ev): -42.2076 -42.2076 -18.9084 -18.9084 -18.2626 -18.2626 -18.2467 -18.2467 5.5091 5.5091 5.6495 5.6495 5.9244 5.9244 6.0281 6.0281 6.3261 6.3261 6.3955 6.3955 6.4347 6.4347 6.6616 6.6616 6.7428 6.7428 7.6112 7.6112 7.8637 7.8637 8.1098 8.1098 8.2648 8.2648 8.4264 8.4264 8.5224 8.5224 8.9867 8.9867 11.1061 11.1061 11.1420 11.1420 12.9607 12.9607 15.0049 15.0049 15.2507 15.2507 16.0954 16.0954 16.8708 16.8708 17.0171 17.0171 19.7905 19.7905 k = 0.0000 0.4079 0.5171 ( 5988 PWs) bands (ev): -42.2076 -42.2076 -18.9084 -18.9084 -18.2627 -18.2627 -18.2467 -18.2467 5.5052 5.5052 5.6486 5.6486 5.9234 5.9234 6.0242 6.0242 6.3362 6.3362 6.4014 6.4014 6.4339 6.4339 6.6691 6.6691 6.7569 6.7569 7.6454 7.6454 7.8832 7.8832 8.1022 8.1022 8.2449 8.2449 8.4093 8.4093 8.5067 8.5067 8.9971 8.9971 11.0461 11.0461 11.2264 11.2264 12.8466 12.8466 15.0199 15.0199 15.2353 15.2353 16.0900 16.0900 16.8641 16.8641 17.0111 17.0111 19.8803 19.8803 k = 0.0000 0.4211 0.5171 ( 5996 PWs) bands (ev): -42.2076 -42.2076 -18.9084 -18.9084 -18.2628 -18.2628 -18.2467 -18.2467 5.5018 5.5018 5.6478 5.6478 5.9225 5.9225 6.0208 6.0208 6.3454 6.3454 6.4065 6.4065 6.4328 6.4328 6.6754 6.6754 6.7696 6.7696 7.6804 7.6804 7.9020 7.9020 8.0874 8.0874 8.2289 8.2289 8.3947 8.3947 8.4934 8.4934 9.0072 9.0072 10.9720 10.9720 11.3349 11.3349 12.7312 12.7312 15.0331 15.0331 15.2218 15.2218 16.0852 16.0852 16.8593 16.8593 17.0055 17.0055 19.9717 19.9717 k = 0.0000 0.4342 0.5171 ( 6000 PWs) bands (ev): -42.2076 -42.2076 -18.9084 -18.9084 -18.2629 -18.2629 -18.2467 -18.2467 5.4989 5.4989 5.6472 5.6472 5.9218 5.9218 6.0180 6.0180 6.3534 6.3534 6.4109 6.4109 6.4315 6.4315 6.6807 6.6807 6.7806 6.7806 7.7160 7.7160 7.9199 7.9199 8.0656 8.0656 8.2163 8.2163 8.3838 8.3838 8.4819 8.4819 9.0168 9.0168 10.9067 10.9067 11.4451 11.4451 12.6150 12.6150 15.0442 15.0442 15.2105 15.2105 16.0810 16.0810 16.8560 16.8560 17.0006 17.0006 20.0640 20.0640 k = 0.0000 0.4474 0.5171 ( 6004 PWs) bands (ev): -42.2076 -42.2076 -18.9085 -18.9085 -18.2629 -18.2629 -18.2467 -18.2467 5.4966 5.4966 5.6466 5.6466 5.9212 5.9212 6.0156 6.0156 6.3603 6.3603 6.4146 6.4146 6.4302 6.4302 6.6851 6.6851 6.7899 6.7899 7.7520 7.7520 7.9364 7.9364 8.0385 8.0385 8.2058 8.2058 8.3769 8.3769 8.4719 8.4719 9.0255 9.0255 10.8516 10.8516 11.5565 11.5565 12.4984 12.4984 15.0534 15.0534 15.2012 15.2012 16.0777 16.0777 16.8538 16.8538 16.9964 16.9964 20.1565 20.1565 k = 0.0000 0.4605 0.5171 ( 6008 PWs) bands (ev): -42.2076 -42.2076 -18.9085 -18.9085 -18.2630 -18.2630 -18.2467 -18.2467 5.4947 5.4947 5.6462 5.6462 5.9207 5.9207 6.0138 6.0138 6.3660 6.3660 6.4175 6.4175 6.4288 6.4288 6.6884 6.6884 6.7972 6.7972 7.7880 7.7880 7.9506 7.9506 8.0078 8.0078 8.1967 8.1967 8.3737 8.3737 8.4633 8.4633 9.0328 9.0328 10.8076 10.8076 11.6684 11.6684 12.3822 12.3822 15.0605 15.0605 15.1940 15.1940 16.0750 16.0750 16.8523 16.8523 16.9931 16.9931 20.2477 20.2477 k = 0.0000 0.4737 0.5171 ( 6004 PWs) bands (ev): -42.2076 -42.2076 -18.9085 -18.9085 -18.2630 -18.2630 -18.2467 -18.2467 5.4933 5.4933 5.6459 5.6459 5.9204 5.9204 6.0125 6.0125 6.3702 6.3702 6.4195 6.4195 6.4277 6.4277 6.6907 6.6907 6.8026 6.8026 7.8238 7.8238 7.9608 7.9608 7.9764 7.9764 8.1890 8.1890 8.3730 8.3730 8.4566 8.4566 9.0384 9.0384 10.7754 10.7754 11.7800 11.7800 12.2676 12.2676 15.0655 15.0655 15.1888 15.1888 16.0732 16.0732 16.8515 16.8515 16.9907 16.9907 20.3353 20.3353 k = 0.0000 0.4868 0.5171 ( 6000 PWs) bands (ev): -42.2076 -42.2076 -18.9085 -18.9085 -18.2630 -18.2630 -18.2467 -18.2467 5.4925 5.4925 5.6457 5.6457 5.9202 5.9202 6.0117 6.0117 6.3728 6.3728 6.4208 6.4208 6.4269 6.4269 6.6921 6.6921 6.8058 6.8058 7.8577 7.8577 7.9414 7.9414 7.9708 7.9708 8.1838 8.1838 8.3733 8.3733 8.4522 8.4522 9.0419 9.0419 10.7559 10.7559 11.8868 11.8868 12.1588 12.1588 15.0686 15.0686 15.1858 15.1858 16.0720 16.0720 16.8510 16.8510 16.9892 16.9892 20.4128 20.4128 k = 0.0000 0.5000 0.5171 ( 6004 PWs) bands (ev): -42.2076 -42.2076 -18.9085 -18.9085 -18.2630 -18.2630 -18.2467 -18.2467 5.4923 5.4923 5.6456 5.6456 5.9201 5.9201 6.0114 6.0114 6.3737 6.3737 6.4212 6.4212 6.4266 6.4266 6.6926 6.6926 6.8069 6.8069 7.8787 7.8787 7.9212 7.9212 7.9731 7.9731 8.1819 8.1819 8.3736 8.3736 8.4506 8.4506 9.0430 9.0430 10.7493 10.7493 11.9531 11.9531 12.0919 12.0919 15.0696 15.0696 15.1848 15.1848 16.0717 16.0717 16.8508 16.8508 16.9887 16.9887 20.4530 20.4530 k = 0.0000 0.5000 0.5171 ( 6004 PWs) bands (ev): -42.2076 -42.2076 -18.9085 -18.9085 -18.2630 -18.2630 -18.2467 -18.2467 5.4923 5.4923 5.6456 5.6456 5.9201 5.9201 6.0114 6.0114 6.3737 6.3737 6.4212 6.4212 6.4266 6.4266 6.6926 6.6926 6.8069 6.8069 7.8787 7.8787 7.9212 7.9212 7.9731 7.9731 8.1819 8.1819 8.3736 8.3736 8.4506 8.4506 9.0430 9.0430 10.7493 10.7493 11.9531 11.9531 12.0919 12.0919 15.0696 15.0696 15.1848 15.1848 16.0717 16.0717 16.8508 16.8508 16.9887 16.9887 20.4530 20.4530 k = 0.0132 0.5000 0.5171 ( 6004 PWs) bands (ev): -42.2076 -42.2076 -18.9085 -18.9085 -18.2630 -18.2630 -18.2467 -18.2467 5.4919 5.4919 5.6452 5.6452 5.9188 5.9188 6.0107 6.0107 6.3706 6.3706 6.4216 6.4216 6.4276 6.4276 6.6935 6.6935 6.8078 6.8078 7.8772 7.8772 7.9227 7.9227 7.9755 7.9755 8.1789 8.1789 8.3768 8.3768 8.4516 8.4516 9.0458 9.0458 10.7504 10.7504 11.9545 11.9545 12.0927 12.0927 15.0684 15.0684 15.1838 15.1838 16.0721 16.0721 16.8506 16.8506 16.9862 16.9862 20.3622 20.3622 k = 0.0263 0.5000 0.5171 ( 6012 PWs) bands (ev): -42.2076 -42.2076 -18.9085 -18.9085 -18.2630 -18.2630 -18.2466 -18.2466 5.4909 5.4909 5.6441 5.6441 5.9147 5.9147 6.0084 6.0084 6.3622 6.3622 6.4216 6.4216 6.4306 6.4306 6.6960 6.6960 6.8104 6.8104 7.8732 7.8732 7.9269 7.9269 7.9825 7.9825 8.1708 8.1708 8.3857 8.3857 8.4545 8.4545 9.0542 9.0542 10.7538 10.7538 11.9587 11.9587 12.0952 12.0952 15.0650 15.0650 15.1810 15.1810 16.0734 16.0734 16.8497 16.8497 16.9785 16.9785 20.2008 20.2008 k = 0.0395 0.5000 0.5171 ( 6016 PWs) bands (ev): -42.2076 -42.2076 -18.9085 -18.9085 -18.2630 -18.2630 -18.2466 -18.2466 5.4891 5.4891 5.6421 5.6421 5.9081 5.9081 6.0048 6.0048 6.3501 6.3501 6.4207 6.4207 6.4349 6.4349 6.7000 6.7000 6.8147 6.8147 7.8680 7.8680 7.9330 7.9330 7.9933 7.9933 8.1589 8.1589 8.3984 8.3984 8.4598 8.4598 9.0681 9.0681 10.7595 10.7595 11.9658 11.9658 12.0992 12.0992 15.0591 15.0591 15.1763 15.1763 16.0757 16.0757 16.8482 16.8482 16.9656 16.9656 20.0205 20.0205 k = 0.0526 0.5000 0.5171 ( 6016 PWs) bands (ev): -42.2076 -42.2076 -18.9085 -18.9085 -18.2630 -18.2630 -18.2466 -18.2466 5.4867 5.4867 5.6394 5.6394 5.8991 5.8991 5.9999 5.9999 6.3355 6.3355 6.4189 6.4189 6.4393 6.4393 6.7054 6.7054 6.8206 6.8206 7.8625 7.8625 7.9407 7.9407 8.0070 8.0070 8.1449 8.1449 8.4131 8.4131 8.4680 8.4680 9.0876 9.0876 10.7675 10.7675 11.9758 11.9758 12.1049 12.1049 15.0508 15.0508 15.1698 15.1698 16.0787 16.0787 16.8457 16.8457 16.9473 16.9473 19.8341 19.8341 k = 0.0658 0.5000 0.5171 ( 6016 PWs) bands (ev): -42.2076 -42.2076 -18.9085 -18.9085 -18.2631 -18.2631 -18.2466 -18.2466 5.4836 5.4836 5.6357 5.6357 5.8880 5.8880 5.9941 5.9941 6.3190 6.3190 6.4161 6.4161 6.4436 6.4436 6.7119 6.7119 6.8280 6.8280 7.8571 7.8571 7.9498 7.9498 8.0225 8.0225 8.1304 8.1304 8.4280 8.4280 8.4798 8.4798 9.1124 9.1124 10.7778 10.7778 11.9885 11.9885 12.1123 12.1123 15.0400 15.0400 15.1613 15.1613 16.0827 16.0827 16.8416 16.8416 16.9236 16.9236 19.6476 19.6476 k = 0.0789 0.5000 0.5171 ( 6000 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2631 -18.2631 -18.2466 -18.2466 5.4798 5.4798 5.6311 5.6311 5.8750 5.8750 5.9873 5.9873 6.3009 6.3009 6.4122 6.4122 6.4475 6.4475 6.7192 6.7192 6.8368 6.8368 7.8523 7.8523 7.9602 7.9602 8.0384 8.0384 8.1170 8.1170 8.4420 8.4420 8.4954 8.4954 9.1425 9.1425 10.7904 10.7904 12.0039 12.0039 12.1214 12.1214 15.0264 15.0264 15.1508 15.1508 16.0874 16.0874 16.8339 16.8339 16.8958 16.8958 19.4647 19.4647 k = 0.0921 0.5000 0.5171 ( 5996 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2631 -18.2631 -18.2466 -18.2466 5.4754 5.4754 5.6255 5.6255 5.8605 5.8605 5.9799 5.9799 6.2816 6.2816 6.4073 6.4073 6.4511 6.4511 6.7271 6.7271 6.8469 6.8469 7.8481 7.8481 7.9717 7.9717 8.0514 8.0514 8.1084 8.1084 8.4552 8.4552 8.5145 8.5145 9.1779 9.1779 10.8055 10.8055 12.0221 12.0221 12.1321 12.1321 15.0100 15.0100 15.1384 15.1384 16.0929 16.0929 16.8157 16.8157 16.8699 16.8699 19.2879 19.2879 k = 0.1053 0.5000 0.5171 ( 5988 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2631 -18.2631 -18.2466 -18.2466 5.4704 5.4704 5.6188 5.6188 5.8448 5.8448 5.9721 5.9721 6.2614 6.2614 6.4014 6.4014 6.4544 6.4544 6.7353 6.7353 6.8579 6.8579 7.8446 7.8446 7.9842 7.9842 8.0547 8.0547 8.1111 8.1111 8.4683 8.4683 8.5360 8.5360 9.2183 9.2183 10.8229 10.8229 12.0429 12.0429 12.1446 12.1446 14.9906 14.9906 15.1240 15.1240 16.0991 16.0991 16.7775 16.7775 16.8543 16.8543 19.1194 19.1194 k = 0.1184 0.5000 0.5171 ( 5980 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2632 -18.2632 -18.2466 -18.2466 5.4648 5.4648 5.6110 5.6110 5.8282 5.8282 5.9639 5.9639 6.2405 6.2405 6.3945 6.3945 6.4574 6.4574 6.7437 6.7437 6.8698 6.8698 7.8419 7.8419 7.9973 7.9973 8.0478 8.0478 8.1257 8.1257 8.4820 8.4820 8.5591 8.5591 9.2636 9.2636 10.8428 10.8428 12.0663 12.0663 12.1589 12.1589 14.9680 14.9680 15.1074 15.1074 16.1060 16.1060 16.7219 16.7219 16.8455 16.8455 18.9609 18.9609 k = 0.1316 0.5000 0.5171 ( 5976 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2632 -18.2632 -18.2466 -18.2466 5.4586 5.4586 5.6020 5.6020 5.8111 5.8111 5.9557 5.9557 6.2191 6.2191 6.3869 6.3869 6.4601 6.4601 6.7520 6.7520 6.8822 6.8822 7.8398 7.8398 8.0109 8.0109 8.0370 8.0370 8.1458 8.1458 8.4967 8.4967 8.5832 8.5832 9.3138 9.3138 10.8653 10.8653 12.0922 12.0922 12.1751 12.1751 14.9420 14.9420 15.0887 15.0887 16.1135 16.1135 16.6526 16.6526 16.8386 16.8386 18.8138 18.8138 k = 0.1447 0.5000 0.5171 ( 5976 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2632 -18.2632 -18.2465 -18.2465 5.4520 5.4520 5.5918 5.5918 5.7936 5.7936 5.9474 5.9474 6.1972 6.1972 6.3786 6.3786 6.4625 6.4625 6.7601 6.7601 6.8952 6.8952 7.8385 7.8385 8.0213 8.0213 8.0291 8.0291 8.1680 8.1680 8.5127 8.5127 8.6080 8.6080 9.3686 9.3686 10.8903 10.8903 12.1204 12.1204 12.1931 12.1931 14.9125 14.9125 15.0677 15.0677 16.1214 16.1214 16.5708 16.5708 16.8319 16.8319 18.6794 18.6794 k = 0.1579 0.5000 0.5171 ( 5972 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2633 -18.2633 -18.2465 -18.2465 5.4448 5.4448 5.5804 5.5804 5.7761 5.7761 5.9393 5.9393 6.1752 6.1752 6.3697 6.3697 6.4647 6.4647 6.7678 6.7678 6.9083 6.9083 7.8379 7.8379 8.0125 8.0125 8.0407 8.0407 8.1910 8.1910 8.5302 8.5302 8.6331 8.6331 9.4280 9.4280 10.9180 10.9180 12.1507 12.1507 12.2132 12.2132 14.8792 14.8792 15.0443 15.0443 16.1296 16.1296 16.4765 16.4765 16.8247 16.8247 18.5584 18.5584 k = 0.1711 0.5000 0.5171 ( 5972 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2633 -18.2633 -18.2465 -18.2465 5.4372 5.4372 5.5679 5.5679 5.7587 5.7587 5.9315 5.9315 6.1532 6.1532 6.3605 6.3605 6.4666 6.4666 6.7751 6.7751 6.9216 6.9216 7.8380 7.8380 8.0018 8.0018 8.0549 8.0549 8.2142 8.2142 8.5492 8.5492 8.6585 8.6585 9.4918 9.4918 10.9483 10.9483 12.1829 12.1829 12.2356 12.2356 14.8420 14.8420 15.0184 15.0184 16.1373 16.1373 16.3708 16.3708 16.8168 16.8168 18.4510 18.4510 k = 0.1842 0.5000 0.5171 ( 5960 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2634 -18.2634 -18.2465 -18.2465 5.4293 5.4293 5.5542 5.5542 5.7415 5.7415 5.9241 5.9241 6.1313 6.1313 6.3510 6.3510 6.4684 6.4684 6.7818 6.7818 6.9348 6.9348 7.8387 7.8387 7.9918 7.9918 8.0693 8.0693 8.2373 8.2373 8.5696 8.5696 8.6840 8.6840 9.5599 9.5599 10.9814 10.9814 12.2166 12.2166 12.2606 12.2606 14.8008 14.8008 14.9899 14.9899 16.1412 16.1412 16.2576 16.2576 16.8079 16.8079 18.3569 18.3569 k = 0.1974 0.5000 0.5171 ( 5964 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2634 -18.2634 -18.2464 -18.2464 5.4210 5.4210 5.5396 5.5396 5.7246 5.7246 5.9171 5.9171 6.1095 6.1095 6.3413 6.3413 6.4699 6.4699 6.7880 6.7880 6.9477 6.9477 7.8401 7.8401 7.9827 7.9827 8.0834 8.0834 8.2600 8.2600 8.5913 8.5913 8.7095 8.7095 9.6323 9.6323 11.0172 11.0172 12.2510 12.2510 12.2888 12.2888 14.7555 14.7555 14.9586 14.9586 16.0983 16.0983 16.1808 16.1808 16.7978 16.7978 18.2754 18.2754 k = 0.2105 0.5000 0.5171 ( 5952 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2635 -18.2635 -18.2464 -18.2464 5.4124 5.4124 5.5242 5.5242 5.7081 5.7081 5.9105 5.9105 6.0882 6.0882 6.3316 6.3316 6.4714 6.4714 6.7936 6.7936 6.9603 6.9603 7.8421 7.8421 7.9745 7.9745 8.0972 8.0972 8.2823 8.2823 8.6142 8.6142 8.7348 8.7348 9.7087 9.7087 11.0558 11.0558 12.2853 12.2853 12.3209 12.3209 14.7061 14.7061 14.9244 14.9244 15.9712 15.9712 16.1789 16.1789 16.7865 16.7865 18.2054 18.2054 k = 0.2237 0.5000 0.5171 ( 5952 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2635 -18.2635 -18.2464 -18.2464 5.4036 5.4036 5.5082 5.5082 5.6921 5.6921 5.9044 5.9044 6.0673 6.0673 6.3220 6.3220 6.4726 6.4726 6.7986 6.7986 6.9725 6.9725 7.8446 7.8446 7.9671 7.9671 8.1107 8.1107 8.3040 8.3040 8.6379 8.6379 8.7599 8.7599 9.7891 9.7891 11.0973 11.0973 12.3191 12.3191 12.3571 12.3571 14.6523 14.6523 14.8872 14.8872 15.8263 15.8263 16.1872 16.1872 16.7738 16.7738 18.1456 18.1456 k = 0.2368 0.5000 0.5171 ( 5964 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2636 -18.2636 -18.2463 -18.2463 5.3946 5.3946 5.4918 5.4918 5.6765 5.6765 5.8987 5.8987 6.0470 6.0470 6.3124 6.3124 6.4738 6.4738 6.8030 6.8030 6.9842 6.9842 7.8476 7.8476 7.9606 7.9606 8.1236 8.1236 8.3251 8.3251 8.6623 8.6623 8.7847 8.7847 9.8735 9.8735 11.1417 11.1417 12.3527 12.3527 12.3970 12.3970 14.5944 14.5944 14.8467 14.8467 15.6735 15.6735 16.1972 16.1972 16.7597 16.7597 18.0946 18.0946 k = 0.2500 0.5000 0.5171 ( 5964 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2636 -18.2636 -18.2463 -18.2463 5.3856 5.3856 5.4752 5.4752 5.6614 5.6614 5.8934 5.8934 6.0275 6.0275 6.3031 6.3031 6.4748 6.4748 6.8068 6.8068 6.9953 6.9953 7.8511 7.8511 7.9549 7.9549 8.1360 8.1360 8.3455 8.3455 8.6871 8.6871 8.8091 8.8091 9.9617 9.9617 11.1889 11.1889 12.3869 12.3869 12.4394 12.4394 14.5324 14.5324 14.8028 14.8028 15.5154 15.5154 16.2076 16.2076 16.7440 16.7440 18.0513 18.0513 k = 0.2632 0.5000 0.5171 ( 5960 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2637 -18.2637 -18.2463 -18.2463 5.3765 5.3765 5.4585 5.4585 5.6468 5.6468 5.8884 5.8884 6.0087 6.0087 6.2941 6.2941 6.4758 6.4758 6.8101 6.8101 7.0058 7.0058 7.8549 7.8549 7.9499 7.9499 8.1479 8.1479 8.3651 8.3651 8.7121 8.7121 8.8330 8.8330 10.0537 10.0537 11.2391 11.2391 12.4222 12.4222 12.4838 12.4838 14.4663 14.4663 14.7552 14.7552 15.3539 15.3539 16.2184 16.2184 16.7267 16.7267 18.0145 18.0145 k = 0.2763 0.5000 0.5171 ( 5952 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2637 -18.2637 -18.2462 -18.2462 5.3675 5.3675 5.4420 5.4420 5.6326 5.6326 5.8836 5.8836 5.9909 5.9909 6.2853 6.2853 6.4767 6.4767 6.8129 6.8129 7.0156 7.0156 7.8591 7.8591 7.9456 7.9456 8.1592 8.1592 8.3841 8.3841 8.7369 8.7369 8.8562 8.8562 10.1493 10.1493 11.2921 11.2921 12.4588 12.4588 12.5293 12.5293 14.3963 14.3963 14.7034 14.7034 15.1909 15.1909 16.2291 16.2291 16.7078 16.7078 17.9831 17.9831 k = 0.2895 0.5000 0.5171 ( 5956 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2638 -18.2638 -18.2462 -18.2462 5.3586 5.3586 5.4257 5.4257 5.6191 5.6191 5.8789 5.8789 5.9743 5.9743 6.2769 6.2769 6.4775 6.4775 6.8152 6.8152 7.0248 7.0248 7.8634 7.8634 7.9420 7.9420 8.1699 8.1699 8.4022 8.4022 8.7613 8.7613 8.8787 8.8787 10.2486 10.2486 11.3479 11.3479 12.4969 12.4969 12.5756 12.5756 14.3227 14.3227 14.6461 14.6461 15.0287 15.0287 16.2397 16.2397 16.6873 16.6873 17.9562 17.9562 k = 0.3026 0.5000 0.5171 ( 5956 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2638 -18.2638 -18.2461 -18.2461 5.3498 5.3498 5.4099 5.4099 5.6061 5.6061 5.8742 5.8742 5.9589 5.9589 6.2689 6.2689 6.4782 6.4782 6.8171 6.8171 7.0333 7.0333 7.8680 7.8680 7.9389 7.9389 8.1801 8.1801 8.4196 8.4196 8.7852 8.7852 8.9004 8.9004 10.3513 10.3513 11.4066 11.4066 12.5365 12.5365 12.6222 12.6222 14.2457 14.2457 14.5807 14.5807 14.8711 14.8711 16.2502 16.2502 16.6653 16.6653 17.9332 17.9332 k = 0.3158 0.5000 0.5171 ( 5952 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2639 -18.2639 -18.2461 -18.2461 5.3413 5.3413 5.3947 5.3947 5.5937 5.5937 5.8693 5.8693 5.9449 5.9449 6.2613 6.2613 6.4790 6.4790 6.8187 6.8187 7.0412 7.0412 7.8726 7.8726 7.9363 7.9363 8.1896 8.1896 8.4361 8.4361 8.8083 8.8083 8.9212 8.9212 10.4576 10.4576 11.4680 11.4680 12.5774 12.5774 12.6687 12.6687 14.1655 14.1655 14.5008 14.5008 14.7255 14.7255 16.2603 16.2603 16.6418 16.6418 17.9134 17.9134 k = 0.3289 0.5000 0.5171 ( 5948 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2640 -18.2640 -18.2461 -18.2461 5.3330 5.3330 5.3801 5.3801 5.5819 5.5819 5.8640 5.8640 5.9326 5.9326 6.2541 6.2541 6.4796 6.4796 6.8199 6.8199 7.0484 7.0484 7.8772 7.8772 7.9342 7.9342 8.1984 8.1984 8.4516 8.4516 8.8304 8.8304 8.9410 8.9410 10.5672 10.5672 11.5319 11.5319 12.6195 12.6195 12.7143 12.7143 14.0823 14.0823 14.3960 14.3960 14.6037 14.6037 16.2701 16.2701 16.6172 16.6172 17.8963 17.8963 k = 0.3421 0.5000 0.5171 ( 5944 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2640 -18.2640 -18.2460 -18.2460 5.3251 5.3251 5.3664 5.3664 5.5709 5.5709 5.8581 5.8581 5.9220 5.9220 6.2474 6.2474 6.4802 6.4802 6.8209 6.8209 7.0549 7.0549 7.8818 7.8818 7.9326 7.9326 8.2067 8.2067 8.4663 8.4663 8.8514 8.8514 8.9596 8.9596 10.6801 10.6801 11.5984 11.5984 12.6626 12.6626 12.7587 12.7587 13.9960 13.9960 14.2645 14.2645 14.5092 14.5092 16.2793 16.2793 16.5916 16.5916 17.8814 17.8814 k = 0.3553 0.5000 0.5171 ( 5940 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2641 -18.2641 -18.2460 -18.2460 5.3176 5.3176 5.3535 5.3535 5.5606 5.5606 5.8518 5.8518 5.9133 5.9133 6.2412 6.2412 6.4808 6.4808 6.8216 6.8216 7.0609 7.0609 7.8862 7.8862 7.9313 7.9313 8.2144 8.2144 8.4800 8.4800 8.8712 8.8712 8.9771 8.9771 10.7962 10.7962 11.6671 11.6671 12.7062 12.7062 12.8010 12.8010 13.9056 13.9056 14.1198 14.1198 14.4310 14.4310 16.2880 16.2880 16.5653 16.5653 17.8684 17.8684 k = 0.3684 0.5000 0.5171 ( 5936 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2641 -18.2641 -18.2460 -18.2460 5.3104 5.3104 5.3416 5.3416 5.5510 5.5510 5.8449 5.8449 5.9063 5.9063 6.2354 6.2354 6.4814 6.4814 6.8221 6.8221 7.0662 7.0662 7.8903 7.8903 7.9304 7.9304 8.2214 8.2214 8.4926 8.4926 8.8896 8.8896 8.9934 8.9934 10.9155 10.9155 11.7380 11.7380 12.7498 12.7498 12.8403 12.8403 13.8079 13.8079 13.9767 13.9767 14.3599 14.3599 16.2961 16.2961 16.5389 16.5389 17.8570 17.8570 k = 0.3816 0.5000 0.5171 ( 5940 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2641 -18.2641 -18.2460 -18.2460 5.3038 5.3038 5.3307 5.3307 5.5423 5.5423 5.8378 5.8378 5.9008 5.9008 6.2302 6.2302 6.4819 6.4819 6.8224 6.8224 7.0709 7.0709 7.8941 7.8941 7.9298 7.9298 8.2278 8.2278 8.5042 8.5042 8.9065 8.9065 9.0083 9.0083 11.0378 11.0378 11.8105 11.8105 12.7925 12.7925 12.8754 12.8754 13.6957 13.6957 13.8488 13.8488 14.2920 14.2920 16.3033 16.3033 16.5127 16.5127 17.8469 17.8469 k = 0.3947 0.5000 0.5171 ( 5944 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2642 -18.2642 -18.2459 -18.2459 5.2976 5.2976 5.3209 5.3209 5.5343 5.5343 5.8308 5.8308 5.8966 5.8966 6.2255 6.2255 6.4823 6.4823 6.8227 6.8227 7.0751 7.0751 7.8975 7.8975 7.9295 7.9295 8.2336 8.2336 8.5147 8.5147 8.9218 8.9218 9.0219 9.0219 11.1630 11.1630 11.8845 11.8845 12.8330 12.8330 12.9049 12.9049 13.5649 13.5649 13.7449 13.7449 14.2259 14.2259 16.3097 16.3097 16.4874 16.4874 17.8377 17.8377 k = 0.4079 0.5000 0.5171 ( 5936 PWs) bands (ev): -42.2074 -42.2074 -18.9085 -18.9085 -18.2642 -18.2642 -18.2459 -18.2459 5.2920 5.2920 5.3122 5.3122 5.5273 5.5273 5.8241 5.8241 5.8934 5.8934 6.2214 6.2214 6.4827 6.4827 6.8228 6.8228 7.0787 7.0787 7.9005 7.9005 7.9295 7.9295 8.2387 8.2387 8.5240 8.5240 8.9354 8.9354 9.0340 9.0340 11.2910 11.2910 11.9592 11.9592 12.8686 12.8686 12.9268 12.9268 13.4245 13.4245 13.6620 13.6620 14.1616 14.1616 16.3150 16.3150 16.4635 16.4635 17.8292 17.8292 k = 0.4211 0.5000 0.5171 ( 5932 PWs) bands (ev): -42.2074 -42.2074 -18.9085 -18.9085 -18.2643 -18.2643 -18.2459 -18.2459 5.2870 5.2870 5.3047 5.3047 5.5211 5.5211 5.8180 5.8180 5.8909 5.8909 6.2177 6.2177 6.4831 6.4831 6.8229 6.8229 7.0818 7.0818 7.9030 7.9030 7.9297 7.9297 8.2431 8.2431 8.5321 8.5321 8.9474 8.9474 9.0446 9.0446 11.4217 11.4217 12.0338 12.0338 12.8933 12.8933 12.9385 12.9385 13.2875 13.2875 13.5957 13.5957 14.0995 14.0995 16.3191 16.3191 16.4419 16.4419 17.8212 17.8212 k = 0.4342 0.5000 0.5171 ( 5932 PWs) bands (ev): -42.2074 -42.2074 -18.9085 -18.9085 -18.2643 -18.2643 -18.2459 -18.2459 5.2826 5.2826 5.2984 5.2984 5.5158 5.5158 5.8126 5.8126 5.8890 5.8890 6.2146 6.2146 6.4834 6.4834 6.8229 6.8229 7.0843 7.0843 7.9051 7.9051 7.9301 7.9301 8.2469 8.2469 8.5391 8.5391 8.9576 8.9576 9.0536 9.0536 11.5549 11.5549 12.1071 12.1071 12.8910 12.8910 12.9376 12.9376 13.1736 13.1736 13.5455 13.5455 14.0405 14.0405 16.3218 16.3218 16.4232 16.4232 17.8135 17.8135 k = 0.4474 0.5000 0.5171 ( 5936 PWs) bands (ev): -42.2074 -42.2074 -18.9085 -18.9085 -18.2643 -18.2643 -18.2458 -18.2458 5.2789 5.2789 5.2933 5.2933 5.5115 5.5115 5.8080 5.8080 5.8875 5.8875 6.2121 6.2121 6.4837 6.4837 6.8229 6.8229 7.0864 7.0864 7.9067 7.9067 7.9306 7.9306 8.2500 8.2500 8.5448 8.5448 8.9659 8.9659 9.0611 9.0611 11.6901 11.6901 12.1770 12.1770 12.8319 12.8319 12.9237 12.9237 13.1132 13.1132 13.5123 13.5123 13.9859 13.9859 16.3229 16.3229 16.4082 16.4082 17.8063 17.8063 k = 0.4605 0.5000 0.5171 ( 5956 PWs) bands (ev): -42.2074 -42.2074 -18.9085 -18.9085 -18.2643 -18.2643 -18.2458 -18.2458 5.2758 5.2758 5.2895 5.2895 5.5081 5.5081 5.8044 5.8044 5.8865 5.8865 6.2101 6.2101 6.4839 6.4839 6.8228 6.8228 7.0880 7.0880 7.9078 7.9078 7.9311 7.9311 8.2524 8.2524 8.5493 8.5493 8.9725 8.9725 9.0669 9.0669 11.8268 11.8268 12.2397 12.2397 12.7218 12.7218 12.8992 12.8992 13.1017 13.1017 13.4949 13.4949 13.9378 13.9378 16.3227 16.3227 16.3970 16.3970 17.7998 17.7999 k = 0.4737 0.5000 0.5171 ( 5956 PWs) bands (ev): -42.2074 -42.2074 -18.9085 -18.9085 -18.2643 -18.2643 -18.2458 -18.2458 5.2736 5.2736 5.2867 5.2867 5.5057 5.5057 5.8017 5.8017 5.8858 5.8858 6.2087 6.2087 6.4840 6.4840 6.8228 6.8228 7.0892 7.0892 7.9086 7.9086 7.9315 7.9315 8.2541 8.2541 8.5525 8.5525 8.9772 8.9772 9.0711 9.0711 11.9639 11.9639 12.2868 12.2868 12.5979 12.5979 12.8697 12.8697 13.1065 13.1065 13.4892 13.4892 13.8992 13.8992 16.3215 16.3215 16.3897 16.3897 17.7948 17.7948 k = 0.4868 0.5000 0.5171 ( 5952 PWs) bands (ev): -42.2074 -42.2074 -18.9085 -18.9085 -18.2643 -18.2643 -18.2458 -18.2458 5.2723 5.2723 5.2851 5.2851 5.5042 5.5042 5.8001 5.8001 5.8854 5.8854 6.2079 6.2079 6.4841 6.4841 6.8228 6.8228 7.0899 7.0899 7.9091 7.9091 7.9317 7.9317 8.2552 8.2552 8.5544 8.5544 8.9800 8.9800 9.0736 9.0736 12.0981 12.0981 12.2948 12.2948 12.4947 12.4947 12.8449 12.8449 13.1126 13.1126 13.4894 13.4894 13.8736 13.8736 16.3202 16.3202 16.3858 16.3858 17.7915 17.7915 k = 0.5000 0.5000 0.5171 ( 5944 PWs) bands (ev): -42.2074 -42.2074 -18.9085 -18.9085 -18.2643 -18.2643 -18.2458 -18.2458 5.2718 5.2718 5.2846 5.2846 5.5037 5.5037 5.7996 5.7996 5.8852 5.8852 6.2076 6.2076 6.4841 6.4841 6.8228 6.8228 7.0901 7.0901 7.9092 7.9092 7.9318 7.9318 8.2555 8.2555 8.5550 8.5550 8.9809 8.9809 9.0745 9.0745 12.2050 12.2050 12.2382 12.2382 12.4585 12.4585 12.8350 12.8350 13.1150 13.1150 13.4902 13.4902 13.8646 13.8646 16.3197 16.3197 16.3846 16.3846 17.7904 17.7904 k = 0.5000 0.5000 0.5171 ( 5944 PWs) bands (ev): -42.2074 -42.2074 -18.9085 -18.9085 -18.2643 -18.2643 -18.2458 -18.2458 5.2718 5.2718 5.2846 5.2846 5.5037 5.5037 5.7996 5.7996 5.8852 5.8852 6.2076 6.2076 6.4841 6.4841 6.8228 6.8228 7.0901 7.0901 7.9092 7.9092 7.9318 7.9318 8.2555 8.2555 8.5550 8.5550 8.9809 8.9809 9.0745 9.0745 12.2050 12.2050 12.2382 12.2382 12.4585 12.4585 12.8350 12.8350 13.1150 13.1150 13.4902 13.4902 13.8646 13.8646 16.3197 16.3197 16.3846 16.3846 17.7904 17.7905 k = 0.4906 0.4906 0.5171 ( 5958 PWs) bands (ev): -42.2074 -42.2074 -18.9085 -18.9085 -18.2643 -18.2643 -18.2458 -18.2458 5.2723 5.2723 5.2851 5.2851 5.5042 5.5042 5.8002 5.8002 5.8854 5.8854 6.2079 6.2079 6.4841 6.4841 6.8228 6.8228 7.0899 7.0899 7.9091 7.9091 7.9317 7.9317 8.2552 8.2552 8.5544 8.5544 8.9800 8.9800 9.0736 9.0736 12.0933 12.0933 12.3029 12.3029 12.4904 12.4904 12.8456 12.8456 13.1127 13.1127 13.4894 13.4894 13.8738 13.8738 16.3203 16.3203 16.3858 16.3858 17.7915 17.7915 k = 0.4811 0.4811 0.5171 ( 5954 PWs) bands (ev): -42.2074 -42.2074 -18.9085 -18.9085 -18.2643 -18.2643 -18.2458 -18.2458 5.2736 5.2736 5.2868 5.2868 5.5057 5.5057 5.8018 5.8018 5.8858 5.8858 6.2088 6.2088 6.4840 6.4840 6.8228 6.8228 7.0892 7.0892 7.9085 7.9085 7.9316 7.9316 8.2541 8.2541 8.5524 8.5524 8.9771 8.9771 9.0710 9.0710 11.9454 11.9454 12.3331 12.3331 12.5603 12.5603 12.8740 12.8740 13.1108 13.1108 13.4904 13.4904 13.8995 13.8995 16.3219 16.3219 16.3895 16.3895 17.7941 17.7942 k = 0.4717 0.4717 0.5171 ( 5942 PWs) bands (ev): -42.2074 -42.2074 -18.9085 -18.9085 -18.2643 -18.2643 -18.2458 -18.2458 5.2758 5.2758 5.2898 5.2898 5.5082 5.5082 5.8045 5.8045 5.8865 5.8865 6.2102 6.2102 6.4838 6.4838 6.8229 6.8229 7.0880 7.0880 7.9073 7.9073 7.9315 7.9315 8.2523 8.2523 8.5490 8.5490 8.9723 8.9723 9.0668 9.0668 11.7882 11.7882 12.3447 12.3447 12.6242 12.6242 12.8998 12.8998 13.1275 13.1275 13.5007 13.5007 13.9372 13.9372 16.3245 16.3245 16.3958 16.3958 17.7965 17.7965 k = 0.4623 0.4623 0.5171 ( 5934 PWs) bands (ev): -42.2074 -42.2074 -18.9085 -18.9085 -18.2643 -18.2643 -18.2458 -18.2458 5.2785 5.2785 5.2941 5.2941 5.5117 5.5117 5.8083 5.8083 5.8875 5.8875 6.2122 6.2122 6.4836 6.4836 6.8229 6.8229 7.0863 7.0863 7.9053 7.9053 7.9319 7.9319 8.2499 8.2499 8.5443 8.5443 8.9657 8.9657 9.0611 9.0611 11.6269 11.6269 12.3514 12.3514 12.6715 12.6715 12.8906 12.8906 13.1815 13.1815 13.5301 13.5301 13.9829 13.9829 16.3280 16.3280 16.4046 16.4046 17.7968 17.7968 k = 0.4528 0.4528 0.5171 ( 5938 PWs) bands (ev): -42.2074 -42.2074 -18.9085 -18.9085 -18.2643 -18.2643 -18.2459 -18.2459 5.2817 5.2817 5.2999 5.2999 5.5161 5.5161 5.8132 5.8132 5.8888 5.8888 6.2147 6.2147 6.4833 6.4833 6.8229 6.8229 7.0841 7.0841 7.9021 7.9021 7.9330 7.9330 8.2469 8.2469 8.5382 8.5382 8.9573 8.9573 9.0541 9.0541 11.4642 11.4642 12.3569 12.3569 12.7071 12.7071 12.8478 12.8478 13.2524 13.2524 13.5886 13.5886 14.0339 14.0339 16.3320 16.3320 16.4159 16.4159 17.7944 17.7944 k = 0.4434 0.4434 0.5171 ( 5938 PWs) bands (ev): -42.2074 -42.2074 -18.9085 -18.9085 -18.2643 -18.2643 -18.2459 -18.2459 5.2854 5.2854 5.3071 5.3071 5.5215 5.5215 5.8190 5.8190 5.8904 5.8904 6.2176 6.2176 6.4829 6.4829 6.8229 6.8229 7.0814 7.0814 7.8977 7.8977 7.9348 7.9348 8.2434 8.2434 8.5305 8.5305 8.9472 8.9472 9.0458 9.0458 11.3017 11.3017 12.3622 12.3622 12.7272 12.7272 12.7965 12.7965 13.3142 13.3142 13.6798 13.6798 14.0894 14.0894 16.3364 16.3364 16.4298 16.4298 17.7895 17.7895 k = 0.4340 0.4340 0.5171 ( 5934 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2642 -18.2642 -18.2459 -18.2459 5.2894 5.2894 5.3156 5.3156 5.5278 5.5278 5.8258 5.8258 5.8924 5.8924 6.2210 6.2210 6.4823 6.4823 6.8228 6.8228 7.0781 7.0781 7.8923 7.8923 7.9374 7.9374 8.2393 8.2393 8.5213 8.5213 8.9356 8.9356 9.0366 9.0366 11.1404 11.1404 12.3674 12.3674 12.6842 12.6842 12.7960 12.7960 13.3625 13.3625 13.7941 13.7941 14.1504 14.1504 16.3408 16.3408 16.4463 16.4463 17.7826 17.7826 k = 0.4245 0.4245 0.5171 ( 5934 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2642 -18.2642 -18.2459 -18.2459 5.2939 5.2939 5.3254 5.3254 5.5350 5.5350 5.8335 5.8335 5.8947 5.8947 6.2248 6.2248 6.4817 6.4817 6.8227 6.8227 7.0742 7.0742 7.8859 7.8859 7.9407 7.9407 8.2349 8.2349 8.5106 8.5106 8.9226 8.9226 9.0267 9.0267 10.9810 10.9810 12.3719 12.3719 12.6044 12.6044 12.8266 12.8266 13.4029 13.4029 13.9154 13.9154 14.2206 14.2206 16.3451 16.3451 16.4654 16.4654 17.7739 17.7739 k = 0.4151 0.4151 0.5171 ( 5926 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2641 -18.2641 -18.2460 -18.2460 5.2989 5.2989 5.3363 5.3363 5.5431 5.5431 5.8421 5.8421 5.8975 5.8975 6.2288 6.2288 6.4809 6.4809 6.8224 6.8224 7.0697 7.0697 7.8788 7.8788 7.9446 7.9446 8.2302 8.2302 8.4981 8.4981 8.9082 8.9082 9.0162 9.0162 10.8242 10.8242 12.3726 12.3726 12.5194 12.5194 12.8630 12.8630 13.4402 13.4402 14.0284 14.0284 14.3065 14.3065 16.3490 16.3490 16.4873 16.4873 17.7636 17.7636 k = 0.4057 0.4057 0.5171 ( 5930 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2641 -18.2641 -18.2460 -18.2460 5.3044 5.3044 5.3482 5.3482 5.5520 5.5520 5.8512 5.8512 5.9010 5.9010 6.2332 6.2332 6.4799 6.4799 6.8220 6.8220 7.0645 7.0645 7.8709 7.8709 7.9490 7.9490 8.2252 8.2252 8.4840 8.4840 8.8926 8.8926 9.0054 9.0054 10.6705 10.6705 12.3531 12.3531 12.4504 12.4504 12.9024 12.9024 13.4771 13.4771 14.1226 14.1226 14.4140 14.4140 16.3523 16.3523 16.5119 16.5119 17.7519 17.7519 k = 0.3962 0.3962 0.5171 ( 5936 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2640 -18.2640 -18.2460 -18.2460 5.3103 5.3103 5.3610 5.3610 5.5617 5.5617 5.8608 5.8608 5.9052 5.9052 6.2376 6.2376 6.4787 6.4787 6.8213 6.8213 7.0586 7.0586 7.8626 7.8626 7.9539 7.9539 8.2202 8.2202 8.4682 8.4682 8.8761 8.8761 8.9945 8.9945 10.5204 10.5204 12.2829 12.2829 12.4295 12.4295 12.9444 12.9444 13.5146 13.5146 14.1974 14.1974 14.5406 14.5406 16.3550 16.3550 16.5393 16.5393 17.7389 17.7389 k = 0.3868 0.3868 0.5171 ( 5940 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2640 -18.2640 -18.2461 -18.2461 5.3167 5.3167 5.3745 5.3745 5.5721 5.5721 5.8704 5.8704 5.9105 5.9105 6.2422 6.2422 6.4774 6.4774 6.8203 6.8203 7.0518 7.0518 7.8538 7.8538 7.9592 7.9592 8.2151 8.2151 8.4506 8.4506 8.8585 8.8585 8.9838 8.9838 10.3746 10.3746 12.1871 12.1871 12.4328 12.4328 12.9885 12.9885 13.5532 13.5532 14.2593 14.2593 14.6785 14.6785 16.3568 16.3568 16.5695 16.5695 17.7245 17.7245 k = 0.3774 0.3774 0.5171 ( 5952 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2639 -18.2639 -18.2461 -18.2461 5.3235 5.3235 5.3885 5.3885 5.5832 5.5832 5.8796 5.8796 5.9173 5.9173 6.2468 6.2468 6.4758 6.4758 6.8190 6.8190 7.0442 7.0442 7.8447 7.8447 7.9648 7.9648 8.2102 8.2102 8.4314 8.4314 8.8402 8.8402 8.9733 8.9733 10.2334 10.2334 12.0844 12.0844 12.4424 12.4424 13.0345 13.0345 13.5928 13.5928 14.3136 14.3136 14.8212 14.8212 16.3577 16.3577 16.6027 16.6027 17.7089 17.7089 k = 0.3679 0.3679 0.5171 ( 5954 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2638 -18.2638 -18.2461 -18.2461 5.3308 5.3308 5.4031 5.4031 5.5950 5.5950 5.8880 5.8880 5.9261 5.9261 6.2512 6.2512 6.4739 6.4739 6.8171 6.8171 7.0357 7.0357 7.8353 7.8353 7.9706 7.9706 8.2056 8.2056 8.4105 8.4105 8.8211 8.8211 8.9633 8.9633 10.0974 10.0974 11.9789 11.9789 12.4547 12.4547 13.0821 13.0821 13.6334 13.6334 14.3637 14.3637 14.9648 14.9648 16.3577 16.3577 16.6388 16.6388 17.6921 17.6921 k = 0.3585 0.3585 0.5171 ( 5970 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2637 -18.2637 -18.2462 -18.2462 5.3385 5.3385 5.4179 5.4179 5.6074 5.6074 5.8953 5.8953 5.9370 5.9370 6.2555 6.2555 6.4717 6.4717 6.8146 6.8146 7.0263 7.0263 7.8257 7.8257 7.9766 7.9766 8.2014 8.2014 8.3882 8.3882 8.8013 8.8013 8.9538 8.9538 9.9672 9.9672 11.8721 11.8721 12.4691 12.4691 13.1310 13.1310 13.6749 13.6749 14.4115 14.4115 15.1070 15.1070 16.3568 16.3568 16.6779 16.6779 17.6741 17.6741 k = 0.3491 0.3491 0.5171 ( 5970 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2636 -18.2636 -18.2462 -18.2462 5.3466 5.3466 5.4330 5.4330 5.6204 5.6204 5.9017 5.9017 5.9498 5.9498 6.2595 6.2595 6.4693 6.4693 6.8114 6.8114 7.0158 7.0158 7.8157 7.8157 7.9824 7.9824 8.1979 8.1979 8.3645 8.3645 8.7809 8.7809 8.9450 8.9450 9.8434 9.8434 11.7646 11.7646 12.4851 12.4851 13.1808 13.1808 13.7169 13.7169 14.4579 14.4579 15.2468 15.2468 16.3549 16.3549 16.7202 16.7202 17.6549 17.6549 k = 0.3396 0.3396 0.5171 ( 5972 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2635 -18.2635 -18.2463 -18.2463 5.3552 5.3552 5.4481 5.4481 5.6339 5.6339 5.9076 5.9076 5.9641 5.9641 6.2632 6.2632 6.4666 6.4666 6.8073 6.8073 7.0043 7.0043 7.8053 7.8053 7.9878 7.9878 8.1952 8.1952 8.3399 8.3399 8.7599 8.7599 8.9369 8.9369 9.7266 9.7266 11.6569 11.6569 12.5027 12.5027 13.2315 13.2315 13.7593 13.7593 14.5037 14.5037 15.3835 15.3835 16.3522 16.3522 16.7655 16.7655 17.6346 17.6346 k = 0.3302 0.3302 0.5171 ( 5972 PWs) bands (ev): -42.2075 -42.2075 -18.9084 -18.9084 -18.2634 -18.2634 -18.2463 -18.2463 5.3641 5.3641 5.4631 5.4631 5.6478 5.6478 5.9132 5.9132 5.9795 5.9795 6.2665 6.2665 6.4635 6.4635 6.8022 6.8022 6.9917 6.9917 7.7944 7.7944 7.9921 7.9921 8.1936 8.1936 8.3146 8.3146 8.7386 8.7386 8.9297 8.9297 9.6174 9.6174 11.5495 11.5495 12.5219 12.5219 13.2825 13.2825 13.8017 13.8017 14.5492 14.5492 15.5168 15.5168 16.3486 16.3486 16.8140 16.8140 17.6133 17.6133 k = 0.3208 0.3208 0.5171 ( 5972 PWs) bands (ev): -42.2075 -42.2075 -18.9084 -18.9084 -18.2633 -18.2633 -18.2464 -18.2464 5.3734 5.3734 5.4779 5.4779 5.6622 5.6622 5.9188 5.9188 5.9957 5.9957 6.2693 6.2693 6.4601 6.4601 6.7959 6.7959 6.9780 6.9780 7.7828 7.7828 7.9944 7.9944 8.1932 8.1932 8.2896 8.2896 8.7171 8.7171 8.9234 8.9234 9.5164 9.5164 11.4426 11.4426 12.5428 12.5428 13.3338 13.3338 13.8440 13.8440 14.5950 14.5950 15.6466 15.6466 16.3443 16.3443 16.8658 16.8658 17.5909 17.5909 k = 0.3113 0.3113 0.5171 ( 5972 PWs) bands (ev): -42.2075 -42.2075 -18.9084 -18.9084 -18.2632 -18.2632 -18.2464 -18.2464 5.3830 5.3830 5.4924 5.4924 5.6768 5.6768 5.9245 5.9245 6.0125 6.0125 6.2715 6.2715 6.4564 6.4564 6.7885 6.7885 6.9630 6.9630 7.7703 7.7703 7.9936 7.9936 8.1939 8.1939 8.2664 8.2664 8.6957 8.6957 8.9179 8.9179 9.4240 9.4240 11.3365 11.3365 12.5653 12.5653 13.3849 13.3849 13.8859 13.8859 14.6412 14.6412 15.7729 15.7729 16.3393 16.3393 16.9207 16.9207 17.5674 17.5674 k = 0.3019 0.3019 0.5171 ( 5972 PWs) bands (ev): -42.2075 -42.2075 -18.9084 -18.9084 -18.2631 -18.2631 -18.2465 -18.2465 5.3930 5.3930 5.5066 5.5066 5.6916 5.6916 5.9304 5.9304 6.0297 6.0297 6.2732 6.2732 6.4524 6.4524 6.7797 6.7797 6.9468 6.9468 7.7566 7.7566 7.9883 7.9883 8.1937 8.1937 8.2485 8.2485 8.6749 8.6749 8.9134 8.9134 9.3407 9.3407 11.2313 11.2313 12.5897 12.5897 13.4358 13.4358 13.9271 13.9271 14.6879 14.6879 15.8959 15.8959 16.3340 16.3340 16.9790 16.9790 17.5430 17.5430 k = 0.2925 0.2925 0.5171 ( 5968 PWs) bands (ev): -42.2075 -42.2075 -18.9084 -18.9084 -18.2630 -18.2630 -18.2465 -18.2465 5.4033 5.4033 5.5203 5.5203 5.7066 5.7066 5.9366 5.9366 6.0472 6.0472 6.2743 6.2743 6.4480 6.4480 6.7696 6.7696 6.9294 6.9294 7.7415 7.7415 7.9772 7.9772 8.1875 8.1875 8.2422 8.2422 8.6551 8.6551 8.9098 8.9098 9.2664 9.2664 11.1273 11.1273 12.6158 12.6158 13.4861 13.4861 13.9675 13.9675 14.7354 14.7354 16.0154 16.0154 16.3290 16.3290 17.0405 17.0405 17.5176 17.5176 k = 0.2830 0.2830 0.5171 ( 5964 PWs) bands (ev): -42.2075 -42.2075 -18.9083 -18.9083 -18.2629 -18.2629 -18.2466 -18.2466 5.4138 5.4138 5.5334 5.5334 5.7216 5.7216 5.9431 5.9431 6.0647 6.0647 6.2748 6.2748 6.4432 6.4432 6.7582 6.7582 6.9106 6.9106 7.7245 7.7245 7.9597 7.9597 8.1745 8.1745 8.2495 8.2495 8.6370 8.6370 8.9072 8.9072 9.2010 9.2010 11.0246 11.0246 12.6438 12.6438 13.5357 13.5357 14.0069 14.0069 14.7838 14.7838 16.1301 16.1301 16.3259 16.3259 17.1054 17.1054 17.4913 17.4913 k = 0.2736 0.2736 0.5171 ( 5972 PWs) bands (ev): -42.2076 -42.2076 -18.9083 -18.9083 -18.2627 -18.2627 -18.2466 -18.2466 5.4246 5.4246 5.5459 5.5459 5.7365 5.7365 5.9501 5.9501 6.0821 6.0821 6.2747 6.2747 6.4381 6.4381 6.7453 6.7453 6.8905 6.8905 7.7054 7.7054 7.9363 7.9363 8.1598 8.1598 8.2653 8.2653 8.6212 8.6212 8.9056 8.9056 9.1441 9.1441 10.9233 10.9233 12.6739 12.6739 13.5844 13.5844 14.0450 14.0450 14.8330 14.8330 16.2307 16.2307 16.3347 16.3347 17.1735 17.1735 17.4640 17.4640 k = 0.2642 0.2642 0.5171 ( 5972 PWs) bands (ev): -42.2076 -42.2076 -18.9083 -18.9083 -18.2626 -18.2626 -18.2467 -18.2467 5.4356 5.4356 5.5579 5.5579 5.7512 5.7512 5.9576 5.9576 6.0991 6.0991 6.2740 6.2740 6.4327 6.4327 6.7312 6.7312 6.8690 6.8690 7.6837 7.6837 7.9082 7.9082 8.1461 8.1461 8.2864 8.2864 8.6081 8.6081 8.9050 8.9050 9.0950 9.0950 10.8236 10.8236 12.7061 12.7061 13.6320 13.6320 14.0819 14.0819 14.8833 14.8833 16.2751 16.2751 16.3978 16.3978 17.2448 17.2448 17.4358 17.4358 k = 0.2547 0.2547 0.5171 ( 5968 PWs) bands (ev): -42.2076 -42.2076 -18.9082 -18.9082 -18.2625 -18.2625 -18.2467 -18.2467 5.4468 5.4468 5.5692 5.5692 5.7656 5.7656 5.9656 5.9656 6.1155 6.1155 6.2729 6.2729 6.4269 6.4269 6.7159 6.7159 6.8459 6.8459 7.6594 7.6594 7.8776 7.8776 8.1337 8.1337 8.3109 8.3109 8.5983 8.5983 8.9055 8.9055 9.0530 9.0530 10.7255 10.7255 12.7404 12.7404 13.6783 13.6783 14.1174 14.1174 14.9344 14.9344 16.2771 16.2771 16.5020 16.5020 17.3193 17.3193 17.4069 17.4069 k = 0.2453 0.2453 0.5171 ( 5972 PWs) bands (ev): -42.2076 -42.2076 -18.9082 -18.9082 -18.2623 -18.2623 -18.2467 -18.2467 5.4582 5.4582 5.5798 5.5798 5.7796 5.7796 5.9741 5.9741 6.1310 6.1310 6.2713 6.2713 6.4208 6.4208 6.6996 6.6996 6.8214 6.8214 7.6321 7.6321 7.8463 7.8463 8.1228 8.1228 8.3377 8.3377 8.5919 8.5919 8.9073 8.9073 9.0174 9.0174 10.6291 10.6291 12.7770 12.7770 13.7234 13.7234 14.1514 14.1514 14.9865 14.9865 16.2710 16.2710 16.6134 16.6134 17.3758 17.3758 17.3982 17.3982 k = 0.2358 0.2358 0.5171 ( 5968 PWs) bands (ev): -42.2076 -42.2076 -18.9082 -18.9082 -18.2622 -18.2622 -18.2468 -18.2468 5.4697 5.4697 5.5897 5.5897 5.7931 5.7931 5.9831 5.9831 6.1452 6.1452 6.2696 6.2696 6.4143 6.4143 6.6823 6.6823 6.7954 6.7954 7.6023 7.6023 7.8160 7.8160 8.1131 8.1131 8.3655 8.3655 8.5894 8.5894 8.9102 8.9102 8.9875 8.9875 10.5345 10.5345 12.8160 12.8160 13.7669 13.7669 14.1838 14.1838 15.0394 15.0394 16.2625 16.2625 16.7265 16.7265 17.3459 17.3459 17.4783 17.4783 k = 0.2264 0.2264 0.5171 ( 5972 PWs) bands (ev): -42.2076 -42.2076 -18.9081 -18.9081 -18.2620 -18.2620 -18.2468 -18.2468 5.4813 5.4813 5.5990 5.5990 5.8059 5.8059 5.9927 5.9927 6.1578 6.1578 6.2678 6.2678 6.4075 6.4075 6.6642 6.6642 6.7679 6.7679 7.5705 7.5705 7.7875 7.7875 8.1046 8.1046 8.3930 8.3930 8.5907 8.5907 8.9142 8.9142 8.9632 8.9632 10.4418 10.4418 12.8575 12.8575 13.8090 13.8090 14.2147 14.2147 15.0930 15.0930 16.2531 16.2531 16.8402 16.8402 17.3146 17.3146 17.5621 17.5621 k = 0.2170 0.2170 0.5171 ( 5968 PWs) bands (ev): -42.2076 -42.2076 -18.9081 -18.9081 -18.2619 -18.2619 -18.2469 -18.2469 5.4931 5.4931 5.6076 5.6076 5.8181 5.8181 6.0028 6.0028 6.1681 6.1681 6.2662 6.2662 6.4004 6.4004 6.6456 6.6456 6.7393 6.7393 7.5376 7.5376 7.7612 7.7612 8.0973 8.0973 8.4189 8.4189 8.5959 8.5959 8.9177 8.9177 8.9458 8.9458 10.3510 10.3510 12.9015 12.9015 13.8494 13.8494 14.2441 14.2441 15.1473 15.1473 16.2431 16.2431 16.9539 16.9539 17.2831 17.2831 17.6489 17.6489 k = 0.2075 0.2075 0.5171 ( 5968 PWs) bands (ev): -42.2076 -42.2076 -18.9080 -18.9080 -18.2617 -18.2617 -18.2469 -18.2469 5.5048 5.5048 5.6156 5.6156 5.8295 5.8295 6.0134 6.0134 6.1759 6.1759 6.2650 6.2650 6.3930 6.3930 6.6265 6.6265 6.7097 6.7097 7.5048 7.5048 7.7370 7.7370 8.0913 8.0913 8.4422 8.4422 8.6047 8.6047 8.9143 8.9143 8.9417 8.9417 10.2620 10.2620 12.9480 12.9480 13.8883 13.8883 14.2719 14.2719 15.2019 15.2019 16.2327 16.2327 17.0657 17.0657 17.2532 17.2532 17.7384 17.7384 k = 0.1981 0.1981 0.5171 ( 5968 PWs) bands (ev): -42.2076 -42.2076 -18.9080 -18.9080 -18.2616 -18.2616 -18.2469 -18.2469 5.5166 5.5166 5.6230 5.6230 5.8401 5.8401 6.0244 6.0244 6.1805 6.1805 6.2641 6.2641 6.3855 6.3855 6.6070 6.6070 6.6797 6.6797 7.4730 7.4730 7.7149 7.7149 8.0867 8.0867 8.4621 8.4621 8.6165 8.6165 8.9047 8.9047 8.9505 8.9505 10.1751 10.1751 12.9973 12.9973 13.9255 13.9255 14.2983 14.2983 15.2569 15.2569 16.2222 16.2222 17.1581 17.1581 17.2425 17.2425 17.8305 17.8305 k = 0.1887 0.1887 0.5171 ( 5976 PWs) bands (ev): -42.2076 -42.2076 -18.9080 -18.9080 -18.2614 -18.2614 -18.2470 -18.2470 5.5283 5.5283 5.6298 5.6298 5.8499 5.8499 6.0358 6.0358 6.1820 6.1820 6.2633 6.2633 6.3782 6.3782 6.5873 6.5873 6.6498 6.6498 7.4431 7.4431 7.6945 7.6945 8.0836 8.0836 8.4786 8.4786 8.6297 8.6297 8.8960 8.8960 8.9653 8.9653 10.0902 10.0902 13.0491 13.0491 13.9610 13.9610 14.3232 14.3232 15.3118 15.3118 16.2115 16.2115 17.1603 17.1603 17.3216 17.3216 17.9251 17.9251 k = 0.1792 0.1792 0.5171 ( 5972 PWs) bands (ev): -42.2076 -42.2076 -18.9079 -18.9079 -18.2613 -18.2613 -18.2470 -18.2470 5.5400 5.5400 5.6360 5.6360 5.8589 5.8589 6.0473 6.0473 6.1805 6.1805 6.2618 6.2618 6.3713 6.3713 6.5672 6.5672 6.6208 6.6208 7.4155 7.4155 7.6756 7.6756 8.0820 8.0820 8.4921 8.4921 8.6428 8.6428 8.8898 8.8898 8.9845 8.9845 10.0072 10.0072 13.1036 13.1036 13.9950 13.9950 14.3467 14.3467 15.3664 15.3664 16.2009 16.2009 17.1284 17.1284 17.4344 17.4344 18.0220 18.0220 k = 0.1698 0.1698 0.5171 ( 5972 PWs) bands (ev): -42.2076 -42.2076 -18.9079 -18.9079 -18.2612 -18.2612 -18.2471 -18.2471 5.5516 5.5516 5.6417 5.6417 5.8671 5.8671 6.0588 6.0588 6.1764 6.1764 6.2588 6.2588 6.3653 6.3653 6.5466 6.5466 6.5937 6.5937 7.3907 7.3907 7.6580 7.6580 8.0821 8.0821 8.5035 8.5035 8.6543 8.6543 8.8862 8.8862 9.0080 9.0080 9.9264 9.9264 13.1606 13.1606 14.0274 14.0274 14.3689 14.3689 15.4206 15.4206 16.1902 16.1902 17.0913 17.0913 17.5517 17.5517 18.1210 18.1210 k = 0.1604 0.1604 0.5171 ( 5970 PWs) bands (ev): -42.2077 -42.2077 -18.9078 -18.9078 -18.2610 -18.2610 -18.2471 -18.2471 5.5631 5.5631 5.6470 5.6470 5.8744 5.8744 6.0702 6.0702 6.1699 6.1699 6.2534 6.2534 6.3606 6.3606 6.5256 6.5256 6.5690 6.5690 7.3687 7.3687 7.6417 7.6417 8.0840 8.0840 8.5132 8.5132 8.6635 8.6635 8.8848 8.8848 9.0353 9.0353 9.8476 9.8476 13.2200 13.2200 14.0583 14.0583 14.3898 14.3898 15.4739 15.4739 16.1798 16.1798 17.0519 17.0519 17.6704 17.6704 18.2217 18.2217 k = 0.1509 0.1509 0.5171 ( 5978 PWs) bands (ev): -42.2077 -42.2077 -18.9078 -18.9078 -18.2609 -18.2609 -18.2471 -18.2471 5.5744 5.5744 5.6517 5.6517 5.8808 5.8808 6.0811 6.0811 6.1613 6.1613 6.2459 6.2459 6.3572 6.3572 6.5043 6.5043 6.5471 6.5471 7.3495 7.3495 7.6265 7.6265 8.0876 8.0876 8.5217 8.5217 8.6702 8.6702 8.8854 8.8854 9.0659 9.0659 9.7710 9.7710 13.2817 13.2817 14.0879 14.0879 14.4094 14.4094 15.5260 15.5260 16.1695 16.1695 17.0106 17.0106 17.7898 17.7898 18.3240 18.3240 k = 0.1415 0.1415 0.5171 ( 5970 PWs) bands (ev): -42.2077 -42.2077 -18.9077 -18.9077 -18.2607 -18.2607 -18.2471 -18.2471 5.5855 5.5855 5.6560 5.6560 5.8863 5.8863 6.0913 6.0913 6.1507 6.1507 6.2371 6.2371 6.3549 6.3549 6.4834 6.4834 6.5279 6.5279 7.3331 7.3331 7.6123 7.6123 8.0930 8.0930 8.5293 8.5293 8.6747 8.6747 8.8873 8.8873 9.0988 9.0988 9.6965 9.6965 13.3452 13.3452 14.1164 14.1164 14.4279 14.4279 15.5767 15.5767 16.1595 16.1595 16.9675 16.9675 17.9093 17.9093 18.4274 18.4274 k = 0.1321 0.1321 0.5171 ( 5982 PWs) bands (ev): -42.2077 -42.2077 -18.9077 -18.9077 -18.2606 -18.2606 -18.2472 -18.2472 5.5964 5.5964 5.6599 5.6599 5.8907 5.8907 6.1002 6.1002 6.1381 6.1381 6.2283 6.2283 6.3532 6.3532 6.4634 6.4634 6.5108 6.5108 7.3192 7.3192 7.5992 7.5992 8.1002 8.1002 8.5363 8.5363 8.6776 8.6776 8.8900 8.8900 9.1333 9.1333 9.6243 9.6243 13.4103 13.4103 14.1440 14.1440 14.4452 14.4452 15.6257 15.6257 16.1499 16.1499 16.9226 16.9226 18.0284 18.0284 18.5317 18.5317 k = 0.1226 0.1226 0.5171 ( 5978 PWs) bands (ev): -42.2077 -42.2077 -18.9077 -18.9077 -18.2605 -18.2605 -18.2472 -18.2472 5.6069 5.6069 5.6635 5.6635 5.8939 5.8939 6.1065 6.1065 6.1244 6.1244 6.2211 6.2211 6.3517 6.3517 6.4449 6.4449 6.4953 6.4953 7.3076 7.3076 7.5871 7.5871 8.1091 8.1091 8.5427 8.5427 8.6793 8.6793 8.8933 8.8933 9.1685 9.1685 9.5544 9.5544 13.4763 13.4763 14.1710 14.1710 14.4614 14.4614 15.6725 15.6725 16.1406 16.1406 16.8760 16.8760 18.1464 18.1464 18.6362 18.6362 k = 0.1132 0.1132 0.5171 ( 5986 PWs) bands (ev): -42.2077 -42.2077 -18.9076 -18.9076 -18.2604 -18.2604 -18.2472 -18.2472 5.6172 5.6172 5.6667 5.6667 5.8957 5.8957 6.1028 6.1028 6.1172 6.1172 6.2168 6.2168 6.3497 6.3497 6.4283 6.4283 6.4811 6.4811 7.2981 7.2981 7.5760 7.5760 8.1197 8.1197 8.5486 8.5486 8.6806 8.6806 8.8968 8.8968 9.2034 9.2034 9.4869 9.4869 13.5426 13.5426 14.1977 14.1977 14.4765 14.4765 15.7169 15.7169 16.1318 16.1318 16.8277 16.8277 18.2627 18.2627 18.7403 18.7403 k = 0.1038 0.1038 0.5171 ( 5986 PWs) bands (ev): -42.2077 -42.2077 -18.9076 -18.9076 -18.2602 -18.2602 -18.2472 -18.2472 5.6271 5.6271 5.6697 5.6697 5.8959 5.8959 6.0879 6.0879 6.1183 6.1183 6.2159 6.2159 6.3469 6.3469 6.4139 6.4139 6.4678 6.4678 7.2903 7.2903 7.5659 7.5659 8.1318 8.1318 8.5540 8.5540 8.6817 8.6817 8.9002 8.9002 9.2375 9.2375 9.4220 9.4220 13.6082 13.6082 14.2246 14.2246 14.4906 14.4906 15.7587 15.7587 16.1235 16.1235 16.7777 16.7777 18.3763 18.3763 18.8418 18.8418 k = 0.0943 0.0943 0.5171 ( 5982 PWs) bands (ev): -42.2077 -42.2077 -18.9076 -18.9076 -18.2601 -18.2601 -18.2473 -18.2473 5.6365 5.6365 5.6724 5.6724 5.8940 5.8940 6.0724 6.0724 6.1183 6.1183 6.2185 6.2185 6.3428 6.3428 6.4020 6.4020 6.4552 6.4552 7.2841 7.2841 7.5567 7.5567 8.1451 8.1451 8.5590 8.5590 8.6832 8.6832 8.9033 8.9033 9.2702 9.2702 9.3599 9.3599 13.6721 13.6721 14.2521 14.2521 14.5035 14.5035 15.7975 15.7975 16.1158 16.1158 16.7263 16.7263 18.4857 18.4857 18.9254 18.9254 k = 0.0849 0.0849 0.5171 ( 5970 PWs) bands (ev): -42.2077 -42.2077 -18.9075 -18.9075 -18.2600 -18.2600 -18.2473 -18.2473 5.6455 5.6455 5.6750 5.6750 5.8899 5.8899 6.0585 6.0585 6.1168 6.1168 6.2237 6.2237 6.3372 6.3372 6.3928 6.3928 6.4431 6.4431 7.2792 7.2792 7.5484 7.5484 8.1595 8.1595 8.5637 8.5637 8.6853 8.6853 8.9058 8.9058 9.3007 9.3007 9.3011 9.3011 13.7330 13.7330 14.2808 14.2808 14.5154 14.5154 15.8331 15.8331 16.1087 16.1087 16.6740 16.6740 18.5894 18.5894 18.9970 18.9970 k = 0.0755 0.0755 0.5171 ( 5974 PWs) bands (ev): -42.2077 -42.2077 -18.9075 -18.9075 -18.2600 -18.2600 -18.2473 -18.2473 5.6538 5.6538 5.6776 5.6776 5.8834 5.8834 6.0470 6.0470 6.1141 6.1141 6.2309 6.2309 6.3303 6.3303 6.3862 6.3862 6.4315 6.4315 7.2754 7.2754 7.5411 7.5411 8.1745 8.1745 8.5679 8.5679 8.6884 8.6884 8.9073 8.9073 9.2452 9.2452 9.3294 9.3294 13.7895 13.7895 14.3110 14.3110 14.5262 14.5262 15.8654 15.8654 16.1023 16.1023 16.6212 16.6212 18.6851 18.6851 19.0704 19.0704 k = 0.0660 0.0660 0.5171 ( 5970 PWs) bands (ev): -42.2077 -42.2077 -18.9075 -18.9075 -18.2599 -18.2599 -18.2473 -18.2473 5.6613 5.6613 5.6803 5.6803 5.8750 5.8750 6.0383 6.0383 6.1108 6.1108 6.2393 6.2393 6.3225 6.3225 6.3816 6.3816 6.4203 6.4203 7.2725 7.2725 7.5346 7.5346 8.1898 8.1898 8.5717 8.5717 8.6929 8.6929 8.9074 8.9074 9.1936 9.1936 9.3551 9.3551 13.8404 13.8404 14.3428 14.3428 14.5360 14.5360 15.8942 15.8942 16.0966 16.0966 16.5688 16.5688 18.7701 18.7701 19.1455 19.1455 k = 0.0566 0.0566 0.5171 ( 5980 PWs) bands (ev): -42.2077 -42.2077 -18.9074 -18.9074 -18.2598 -18.2598 -18.2473 -18.2473 5.6675 5.6675 5.6836 5.6836 5.8651 5.8651 6.0322 6.0322 6.1074 6.1074 6.2482 6.2482 6.3147 6.3147 6.3785 6.3785 6.4094 6.4094 7.2703 7.2703 7.5291 7.5291 8.2049 8.2049 8.5751 8.5751 8.6991 8.6991 8.9055 8.9055 9.1469 9.1469 9.3779 9.3779 13.8845 13.8845 14.3759 14.3759 14.5447 14.5447 15.9193 15.9193 16.0917 16.0917 16.5180 16.5180 18.8416 18.8416 19.2206 19.2206 k = 0.0472 0.0472 0.5171 ( 5976 PWs) bands (ev): -42.2077 -42.2077 -18.9074 -18.9074 -18.2597 -18.2597 -18.2473 -18.2473 5.6720 5.6720 5.6876 5.6876 5.8546 5.8546 6.0282 6.0282 6.1042 6.1042 6.2573 6.2573 6.3074 6.3074 6.3762 6.3762 6.3991 6.3991 7.2686 7.2686 7.5244 7.5244 8.2191 8.2191 8.5781 8.5781 8.7071 8.7071 8.9008 8.9008 9.1061 9.1061 9.3975 9.3975 13.9214 13.9214 14.4090 14.4090 14.5524 14.5524 15.9407 15.9407 16.0876 16.0876 16.4702 16.4702 18.8969 18.8969 19.2932 19.2932 k = 0.0377 0.0377 0.5171 ( 5974 PWs) bands (ev): -42.2077 -42.2077 -18.9074 -18.9074 -18.2597 -18.2597 -18.2473 -18.2473 5.6751 5.6751 5.6924 5.6924 5.8443 5.8443 6.0258 6.0258 6.1014 6.1014 6.2661 6.2661 6.3011 6.3011 6.3746 6.3746 6.3895 6.3895 7.2675 7.2675 7.5206 7.5206 8.2319 8.2319 8.5805 8.5805 8.7171 8.7171 8.8923 8.8923 9.0727 9.0727 9.4138 9.4138 13.9508 13.9508 14.4404 14.4404 14.5592 14.5592 15.9582 15.9582 16.0843 16.0843 16.4272 16.4272 18.9354 18.9354 19.3600 19.3600 k = 0.0283 0.0283 0.5171 ( 5974 PWs) bands (ev): -42.2077 -42.2077 -18.9074 -18.9074 -18.2597 -18.2597 -18.2473 -18.2473 5.6769 5.6769 5.6971 5.6971 5.8352 5.8352 6.0245 6.0245 6.0991 6.0991 6.2738 6.2738 6.2964 6.2964 6.3729 6.3729 6.3813 6.3813 7.2666 7.2666 7.5176 7.5176 8.2427 8.2427 8.5824 8.5824 8.7290 8.7290 8.8799 8.8799 9.0478 9.0478 9.4266 9.4266 13.9729 13.9729 14.4678 14.4678 14.5652 14.5652 15.9719 15.9719 16.0818 16.0818 16.3907 16.3907 18.9588 18.9588 19.4170 19.4170 k = 0.0189 0.0189 0.5171 ( 5958 PWs) bands (ev): -42.2077 -42.2077 -18.9074 -18.9074 -18.2596 -18.2596 -18.2473 -18.2473 5.6781 5.6781 5.7010 5.7010 5.8279 5.8279 6.0238 6.0238 6.0975 6.0975 6.2793 6.2793 6.2940 6.2940 6.3700 6.3700 6.3762 6.3762 7.2661 7.2661 7.5155 7.5155 8.2509 8.2509 8.5838 8.5838 8.7418 8.7418 8.8649 8.8649 9.0314 9.0314 9.4358 9.4358 13.9883 13.9883 14.4889 14.4889 14.5702 14.5702 15.9817 15.9817 16.0800 16.0800 16.3628 16.3628 18.9711 18.9711 19.4607 19.4607 k = 0.0094 0.0094 0.5171 ( 5970 PWs) bands (ev): -42.2077 -42.2077 -18.9074 -18.9074 -18.2596 -18.2596 -18.2473 -18.2473 5.6787 5.6787 5.7037 5.7037 5.8232 5.8232 6.0235 6.0235 6.0964 6.0964 6.2816 6.2816 6.2942 6.2942 6.3661 6.3661 6.3746 6.3746 7.2658 7.2658 7.5142 7.5142 8.2560 8.2560 8.5847 8.5847 8.7531 8.7531 8.8513 8.8513 9.0223 9.0223 9.4414 9.4414 13.9973 13.9973 14.5020 14.5020 14.5738 14.5738 15.9876 15.9876 16.0790 16.0790 16.3453 16.3453 18.9764 18.9764 19.4882 19.4882 k = 0.0000 0.0000 0.5171 ( 5974 PWs) bands (ev): -42.2077 -42.2077 -18.9074 -18.9074 -18.2596 -18.2596 -18.2473 -18.2473 5.6789 5.6789 5.7046 5.7046 5.8216 5.8216 6.0234 6.0234 6.0961 6.0961 6.2819 6.2819 6.2948 6.2948 6.3645 6.3645 6.3743 6.3743 7.2657 7.2657 7.5138 7.5138 8.2577 8.2577 8.5849 8.5849 8.7580 8.7580 8.8454 8.8454 9.0195 9.0195 9.4432 9.4432 14.0003 14.0003 14.5064 14.5064 14.5751 14.5751 15.9896 15.9896 16.0787 16.0787 16.3393 16.3393 18.9778 18.9778 19.4976 19.4976 k = 0.0000 0.5000-0.0000 ( 5954 PWs) bands (ev): -42.2079 -42.2079 -18.9063 -18.9063 -18.2641 -18.2641 -18.2392 -18.2392 5.4469 5.4469 5.5340 5.5340 5.6102 5.6102 5.8857 5.8857 6.2359 6.2359 6.3431 6.3431 6.4011 6.4011 6.8804 6.8804 7.2735 7.2735 7.4994 7.4994 7.5642 7.5642 7.9474 7.9474 8.1055 8.1055 8.3911 8.3911 8.5738 8.5738 8.6510 8.6510 8.8041 8.8041 14.5154 14.5154 14.7351 14.7351 15.0207 15.0207 15.8620 15.8620 16.3888 16.3888 17.5086 17.5086 18.6529 18.6529 19.2565 19.2565 k = 0.0000 0.5000 0.0133 ( 5952 PWs) bands (ev): -42.2079 -42.2079 -18.9063 -18.9063 -18.2641 -18.2641 -18.2392 -18.2392 5.4472 5.4472 5.5345 5.5345 5.6106 5.6106 5.8859 5.8859 6.2337 6.2337 6.3452 6.3452 6.4011 6.4011 6.8794 6.8794 7.2718 7.2718 7.4985 7.4985 7.5684 7.5684 7.9481 7.9481 8.1060 8.1060 8.3897 8.3897 8.5759 8.5759 8.6511 8.6511 8.8034 8.8034 14.5154 14.5154 14.7321 14.7321 15.0195 15.0195 15.8626 15.8626 16.3851 16.3851 17.5095 17.5095 18.6510 18.6510 19.2553 19.2553 k = 0.0000 0.5000 0.0265 ( 5964 PWs) bands (ev): -42.2079 -42.2079 -18.9063 -18.9063 -18.2641 -18.2641 -18.2393 -18.2393 5.4481 5.4481 5.5361 5.5361 5.6117 5.6117 5.8864 5.8864 6.2275 6.2275 6.3510 6.3510 6.4011 6.4011 6.8765 6.8765 7.2670 7.2670 7.4962 7.4962 7.5799 7.5799 7.9501 7.9501 8.1073 8.1073 8.3854 8.3854 8.5819 8.5819 8.6514 8.6514 8.8014 8.8014 14.5153 14.5153 14.7232 14.7232 15.0157 15.0157 15.8643 15.8643 16.3739 16.3739 17.5122 17.5122 18.6439 18.6439 19.2517 19.2517 k = 0.0000 0.5000 0.0398 ( 5958 PWs) bands (ev): -42.2079 -42.2079 -18.9063 -18.9063 -18.2641 -18.2641 -18.2393 -18.2393 5.4496 5.4496 5.5387 5.5387 5.6136 5.6136 5.8874 5.8874 6.2185 6.2185 6.3593 6.3593 6.4012 6.4012 6.8717 6.8717 7.2595 7.2595 7.4938 7.4938 7.5971 7.5971 7.9533 7.9533 8.1095 8.1095 8.3789 8.3789 8.5913 8.5913 8.6521 8.6521 8.7981 8.7981 14.5142 14.5142 14.7096 14.7096 15.0094 15.0094 15.8671 15.8671 16.3558 16.3558 17.5165 17.5165 18.6267 18.6267 19.2452 19.2452 k = 0.0000 0.5000 0.0530 ( 5954 PWs) bands (ev): -42.2079 -42.2079 -18.9063 -18.9063 -18.2641 -18.2641 -18.2394 -18.2394 5.4517 5.4517 5.5422 5.5422 5.6162 5.6162 5.8887 5.8887 6.2077 6.2077 6.3688 6.3688 6.4017 6.4017 6.8652 6.8652 7.2499 7.2499 7.4918 7.4918 7.6185 7.6185 7.9579 7.9579 8.1125 8.1125 8.3706 8.3706 8.6030 8.6030 8.6535 8.6535 8.7937 8.7937 14.5102 14.5102 14.6929 14.6929 15.0004 15.0004 15.8710 15.8710 16.3310 16.3310 17.5220 17.5220 18.5924 18.5924 19.2353 19.2353 k = 0.0000 0.5000 0.0663 ( 5944 PWs) bands (ev): -42.2079 -42.2079 -18.9064 -18.9064 -18.2641 -18.2641 -18.2395 -18.2395 5.4544 5.4544 5.5467 5.5467 5.6195 5.6195 5.8906 5.8906 6.1958 6.1958 6.3779 6.3779 6.4034 6.4034 6.8573 6.8573 7.2390 7.2390 7.4904 7.4904 7.6430 7.6430 7.9638 7.9638 8.1162 8.1162 8.3611 8.3611 8.6158 8.6158 8.6564 8.6564 8.7885 8.7885 14.5002 14.5002 14.6765 14.6765 14.9884 14.9884 15.8760 15.8760 16.3004 16.3004 17.5281 17.5281 18.5335 18.5335 19.2197 19.2197 k = 0.0000 0.5000 0.0796 ( 5944 PWs) bands (ev): -42.2079 -42.2079 -18.9064 -18.9064 -18.2641 -18.2641 -18.2396 -18.2396 5.4575 5.4575 5.5520 5.5520 5.6234 5.6234 5.8930 5.8930 6.1835 6.1835 6.3843 6.3843 6.4080 6.4080 6.8482 6.8482 7.2270 7.2270 7.4899 7.4899 7.6698 7.6698 7.9710 7.9710 8.1205 8.1205 8.3506 8.3506 8.6271 8.6271 8.6622 8.6622 8.7833 8.7833 14.4801 14.4801 14.6645 14.6645 14.9733 14.9733 15.8821 15.8821 16.2646 16.2646 17.5343 17.5343 18.4477 18.4477 19.1920 19.1920 k = 0.0000 0.5000 0.0928 ( 5952 PWs) bands (ev): -42.2079 -42.2079 -18.9064 -18.9064 -18.2640 -18.2640 -18.2398 -18.2398 5.4612 5.4612 5.5580 5.5580 5.6279 5.6279 5.8960 5.8960 6.1710 6.1710 6.3869 6.3869 6.4164 6.4164 6.8382 6.8382 7.2143 7.2143 7.4901 7.4901 7.6981 7.6981 7.9796 7.9796 8.1253 8.1253 8.3396 8.3396 8.6347 8.6347 8.6724 8.6724 8.7790 8.7790 14.4471 14.4471 14.6599 14.6599 14.9546 14.9546 15.8892 15.8892 16.2244 16.2244 17.5397 17.5397 18.3387 18.3387 19.1509 19.1509 k = 0.0000 0.5000 0.1061 ( 5954 PWs) bands (ev): -42.2079 -42.2079 -18.9065 -18.9065 -18.2640 -18.2640 -18.2400 -18.2400 5.4654 5.4654 5.5645 5.5645 5.6331 5.6331 5.8997 5.8997 6.1586 6.1586 6.3869 6.3869 6.4271 6.4271 6.8275 6.8275 7.2010 7.2010 7.4913 7.4913 7.7272 7.7272 7.9897 7.9897 8.1306 8.1306 8.3282 8.3282 8.6386 8.6386 8.6846 8.6846 8.7781 8.7781 14.4014 14.4014 14.6627 14.6627 14.9318 14.9318 15.8972 15.8972 16.1805 16.1805 17.5436 17.5436 18.2138 18.2138 19.1036 19.1036 k = 0.0000 0.5000 0.1193 ( 5952 PWs) bands (ev): -42.2079 -42.2079 -18.9065 -18.9065 -18.2640 -18.2640 -18.2401 -18.2401 5.4700 5.4700 5.5713 5.5713 5.6388 5.6388 5.9042 5.9042 6.1466 6.1466 6.3857 6.3857 6.4386 6.4386 6.8165 6.8165 7.1872 7.1872 7.4935 7.4935 7.7564 7.7564 8.0013 8.0013 8.1360 8.1360 8.3165 8.3165 8.6404 8.6404 8.6939 8.6939 8.7841 8.7841 14.3448 14.3448 14.6714 14.6714 14.9046 14.9046 15.9060 15.9060 16.1338 16.1338 17.5451 17.5451 18.0800 18.0800 19.0561 19.0561 k = 0.0000 0.5000 0.1326 ( 5956 PWs) bands (ev): -42.2079 -42.2079 -18.9066 -18.9066 -18.2640 -18.2640 -18.2404 -18.2404 5.4750 5.4750 5.5782 5.5782 5.6453 5.6453 5.9096 5.9096 6.1350 6.1350 6.3837 6.3837 6.4503 6.4503 6.8053 6.8053 7.1730 7.1730 7.4966 7.4966 7.7851 7.7851 8.0146 8.0146 8.1416 8.1416 8.3046 8.3046 8.6411 8.6411 8.6968 8.6968 8.7999 8.7999 14.2793 14.2793 14.6841 14.6841 14.8723 14.8723 15.9155 15.9155 16.0850 16.0850 17.5432 17.5432 17.9430 17.9430 19.0127 19.0127 k = 0.0000 0.5000 0.1459 ( 5952 PWs) bands (ev): -42.2079 -42.2079 -18.9067 -18.9067 -18.2639 -18.2639 -18.2406 -18.2406 5.4804 5.4804 5.5848 5.5848 5.6525 5.6525 5.9159 5.9159 6.1240 6.1240 6.3812 6.3812 6.4619 6.4619 6.7942 6.7942 7.1583 7.1583 7.5010 7.5010 7.8127 7.8127 8.0296 8.0296 8.1471 8.1471 8.2926 8.2926 8.6405 8.6405 8.6949 8.6949 8.8246 8.8246 14.2064 14.2064 14.6994 14.6994 14.8346 14.8346 15.9253 15.9253 16.0349 16.0349 17.5374 17.5374 17.8066 17.8066 18.9765 18.9765 k = 0.0000 0.5000 0.1591 ( 5956 PWs) bands (ev): -42.2079 -42.2079 -18.9067 -18.9067 -18.2639 -18.2639 -18.2408 -18.2408 5.4860 5.4860 5.5908 5.5908 5.6607 5.6607 5.9232 5.9232 6.1137 6.1137 6.3784 6.3784 6.4732 6.4732 6.7834 6.7834 7.1431 7.1431 7.5065 7.5065 7.8386 7.8386 8.0463 8.0463 8.1525 8.1525 8.2806 8.2806 8.6379 8.6379 8.6914 8.6914 8.8558 8.8558 14.1272 14.1272 14.7149 14.7149 14.7923 14.7923 15.9341 15.9341 15.9853 15.9853 17.5270 17.5270 17.6741 17.6741 18.9497 18.9497 k = 0.0000 0.5000 0.1724 ( 5952 PWs) bands (ev): -42.2078 -42.2078 -18.9068 -18.9068 -18.2639 -18.2639 -18.2411 -18.2411 5.4918 5.4918 5.5959 5.5959 5.6699 5.6699 5.9315 5.9315 6.1042 6.1042 6.3753 6.3753 6.4842 6.4842 6.7731 6.7731 7.1274 7.1274 7.5133 7.5133 7.8625 7.8625 8.0646 8.0646 8.1575 8.1575 8.2686 8.2686 8.6326 8.6326 8.6893 8.6893 8.8921 8.8921 14.0426 14.0426 14.7152 14.7152 14.7597 14.7597 15.9220 15.9220 15.9563 15.9563 17.5112 17.5112 17.5484 17.5484 18.9335 18.9335 k = 0.0000 0.5000 0.1856 ( 5960 PWs) bands (ev): -42.2078 -42.2078 -18.9069 -18.9069 -18.2638 -18.2638 -18.2413 -18.2413 5.4978 5.4978 5.6000 5.6000 5.6801 5.6801 5.9408 5.9408 6.0956 6.0956 6.3720 6.3720 6.4947 6.4947 6.7634 6.7634 7.1111 7.1111 7.5213 7.5213 7.8840 7.8840 8.0841 8.0841 8.1621 8.1621 8.2566 8.2566 8.6242 8.6242 8.6902 8.6902 8.9328 8.9328 13.9534 13.9534 14.6674 14.6674 14.7687 14.7687 15.8739 15.8739 15.9632 15.9632 17.4279 17.4279 17.4937 17.4937 18.9284 18.9284 k = 0.0000 0.5000 0.1989 ( 5968 PWs) bands (ev): -42.2078 -42.2078 -18.9070 -18.9070 -18.2638 -18.2638 -18.2416 -18.2416 5.5038 5.5038 5.6030 5.6030 5.6914 5.6914 5.9510 5.9510 6.0880 6.0880 6.3687 6.3687 6.5047 6.5047 6.7544 6.7544 7.0943 7.0943 7.5306 7.5306 7.9032 7.9032 8.1041 8.1041 8.1665 8.1665 8.2447 8.2447 8.6134 8.6134 8.6941 8.6941 8.9774 8.9774 13.8604 13.8604 14.6007 14.6007 14.7891 14.7891 15.8222 15.8222 15.9739 15.9739 17.3189 17.3189 17.4700 17.4700 18.9344 18.9344 k = 0.0000 0.5000 0.2121 ( 5964 PWs) bands (ev): -42.2078 -42.2078 -18.9071 -18.9071 -18.2637 -18.2637 -18.2419 -18.2419 5.5097 5.5097 5.6049 5.6049 5.7037 5.7037 5.9619 5.9619 6.0815 6.0815 6.3654 6.3654 6.5140 6.5140 6.7463 6.7463 7.0770 7.0770 7.5411 7.5411 7.9202 7.9202 8.1232 8.1232 8.1714 8.1714 8.2330 8.2330 8.6010 8.6010 8.7008 8.7008 9.0261 9.0261 13.7642 13.7642 14.5238 14.5238 14.8117 14.8117 15.7704 15.7704 15.9850 15.9850 17.2200 17.2200 17.4433 17.4433 18.9507 18.9507 k = 0.0000 0.5000 0.2254 ( 5956 PWs) bands (ev): -42.2078 -42.2078 -18.9071 -18.9071 -18.2637 -18.2637 -18.2422 -18.2422 5.5155 5.5155 5.6058 5.6058 5.7167 5.7167 5.9732 5.9732 6.0763 6.0763 6.3624 6.3624 6.5228 6.5228 6.7389 6.7389 7.0591 7.0591 7.5528 7.5528 7.9350 7.9350 8.1389 8.1389 8.1784 8.1784 8.2218 8.2218 8.5879 8.5879 8.7099 8.7099 9.0787 9.0787 13.6656 13.6656 14.4377 14.4377 14.8354 14.8354 15.7190 15.7190 15.9958 15.9958 17.1322 17.1322 17.4141 17.4141 18.9767 18.9767 k = 0.0000 0.5000 0.2387 ( 5968 PWs) bands (ev): -42.2078 -42.2078 -18.9072 -18.9072 -18.2636 -18.2636 -18.2425 -18.2425 5.5208 5.5208 5.6061 5.6061 5.7303 5.7303 5.9846 5.9846 6.0727 6.0727 6.3598 6.3598 6.5308 6.5308 6.7325 6.7325 7.0408 7.0408 7.5657 7.5657 7.9480 7.9480 8.1478 8.1478 8.1891 8.1891 8.2122 8.2122 8.5744 8.5744 8.7210 8.7210 9.1353 9.1353 13.5651 13.5651 14.3427 14.3427 14.8594 14.8594 15.6685 15.6685 16.0061 16.0061 17.0558 17.0558 17.3833 17.3833 19.0113 19.0113 k = 0.0000 0.5000 0.2519 ( 5966 PWs) bands (ev): -42.2078 -42.2078 -18.9073 -18.9073 -18.2636 -18.2636 -18.2428 -18.2428 5.5256 5.5256 5.6059 5.6059 5.7444 5.7444 5.9955 5.9955 6.0711 6.0711 6.3578 6.3578 6.5380 6.5380 6.7270 6.7270 7.0221 7.0221 7.5797 7.5797 7.9591 7.9591 8.1501 8.1501 8.1937 8.1937 8.2138 8.2138 8.5611 8.5611 8.7341 8.7341 9.1958 9.1958 13.4634 13.4634 14.2394 14.2394 14.8837 14.8837 15.6189 15.6189 16.0156 16.0156 16.9908 16.9908 17.3514 17.3514 19.0536 19.0536 k = 0.0000 0.5000 0.2652 ( 5966 PWs) bands (ev): -42.2077 -42.2077 -18.9074 -18.9074 -18.2635 -18.2635 -18.2431 -18.2431 5.5296 5.5296 5.6057 5.6057 5.7588 5.7588 6.0049 6.0049 6.0722 6.0722 6.3565 6.3565 6.5443 6.5443 6.7224 6.7224 7.0031 7.0031 7.5946 7.5946 7.9685 7.9685 8.1478 8.1478 8.1866 8.1866 8.2297 8.2297 8.5480 8.5480 8.7490 8.7490 9.2604 9.2604 13.3612 13.3612 14.1284 14.1284 14.9079 14.9079 15.5707 15.5707 16.0243 16.0243 16.9368 16.9368 17.3194 17.3194 19.1029 19.1029 k = 0.0000 0.5000 0.2784 ( 5988 PWs) bands (ev): -42.2077 -42.2077 -18.9075 -18.9075 -18.2635 -18.2635 -18.2434 -18.2434 5.5325 5.5325 5.6057 5.6057 5.7732 5.7732 6.0121 6.0121 6.0766 6.0766 6.3560 6.3560 6.5497 6.5497 6.7187 6.7187 6.9838 6.9838 7.6105 7.6105 7.9763 7.9763 8.1421 8.1421 8.1792 8.1792 8.2477 8.2477 8.5354 8.5354 8.7654 8.7654 9.3289 9.3289 13.2589 13.2589 14.0105 14.0105 14.9319 14.9319 15.5238 15.5238 16.0319 16.0319 16.8932 16.8932 17.2876 17.2876 19.1581 19.1581 k = 0.0000 0.5000 0.2917 ( 5986 PWs) bands (ev): -42.2077 -42.2077 -18.9076 -18.9076 -18.2635 -18.2635 -18.2437 -18.2437 5.5342 5.5342 5.6063 5.6063 5.7875 5.7875 6.0168 6.0168 6.0845 6.0845 6.3566 6.3566 6.5540 6.5540 6.7160 6.7160 6.9645 6.9645 7.6271 7.6271 7.9824 7.9824 8.1334 8.1334 8.1733 8.1733 8.2654 8.2654 8.5233 8.5233 8.7831 8.7831 9.4012 9.4012 13.1574 13.1574 13.8866 13.8866 14.9555 14.9555 15.4786 15.4786 16.0386 16.0386 16.8591 16.8591 17.2566 17.2566 19.2187 19.2187 k = 0.0000 0.5000 0.3050 ( 5986 PWs) bands (ev): -42.2077 -42.2077 -18.9077 -18.9077 -18.2634 -18.2634 -18.2440 -18.2440 5.5345 5.5345 5.6077 5.6077 5.8016 5.8016 6.0192 6.0192 6.0953 6.0953 6.3581 6.3581 6.5572 6.5572 6.7140 6.7140 6.9452 6.9452 7.6445 7.6445 7.9868 7.9868 8.1227 8.1227 8.1691 8.1691 8.2823 8.2823 8.5118 8.5118 8.8020 8.8020 9.4773 9.4773 13.0570 13.0570 13.7577 13.7577 14.9784 14.9784 15.4352 15.4352 16.0442 16.0442 16.8337 16.8337 17.2266 17.2266 19.2840 19.2840 k = 0.0000 0.5000 0.3182 ( 5986 PWs) bands (ev): -42.2077 -42.2077 -18.9078 -18.9078 -18.2634 -18.2634 -18.2443 -18.2443 5.5335 5.5335 5.6098 5.6098 5.8153 5.8153 6.0202 6.0202 6.1083 6.1083 6.3607 6.3607 6.5592 6.5592 6.7127 6.7127 6.9262 6.9262 7.6623 7.6623 7.9894 7.9894 8.1106 8.1106 8.1661 8.1661 8.2980 8.2980 8.5011 8.5011 8.8218 8.8218 9.5570 9.5570 12.9586 12.9586 13.6247 13.6247 15.0006 15.0006 15.3938 15.3938 16.0490 16.0490 16.8157 16.8157 17.1981 17.1981 19.3535 19.3535 k = 0.0000 0.5000 0.3315 ( 5992 PWs) bands (ev): -42.2077 -42.2077 -18.9078 -18.9078 -18.2633 -18.2633 -18.2445 -18.2445 5.5314 5.5314 5.6125 5.6125 5.8285 5.8285 6.0204 6.0204 6.1226 6.1226 6.3644 6.3644 6.5600 6.5600 6.7119 6.7119 6.9077 6.9077 7.6805 7.6805 7.9902 7.9902 8.0979 8.0979 8.1642 8.1642 8.3126 8.3126 8.4910 8.4910 8.8422 8.8422 9.6400 9.6400 12.8625 12.8625 13.4888 13.4888 15.0219 15.0219 15.3544 15.3544 16.0529 16.0529 16.8041 16.8041 17.1710 17.1710 19.4267 19.4267 k = 0.0000 0.5000 0.3447 ( 5984 PWs) bands (ev): -42.2077 -42.2077 -18.9079 -18.9079 -18.2633 -18.2633 -18.2448 -18.2448 5.5285 5.5285 5.6157 5.6157 5.8410 5.8410 6.0201 6.0201 6.1380 6.1380 6.3689 6.3689 6.5596 6.5596 6.7115 6.7115 6.8900 6.8900 7.6990 7.6990 7.9892 7.9892 8.0849 8.0849 8.1634 8.1634 8.3260 8.3260 8.4817 8.4817 8.8629 8.8629 9.7262 9.7262 12.7695 12.7695 13.3507 13.3507 15.0422 15.0422 15.3174 15.3174 16.0562 16.0562 16.7978 16.7978 17.1457 17.1457 19.5030 19.5030 k = 0.0000 0.5000 0.3580 ( 5988 PWs) bands (ev): -42.2076 -42.2076 -18.9080 -18.9080 -18.2633 -18.2633 -18.2451 -18.2451 5.5250 5.5250 5.6193 5.6193 5.8527 5.8527 6.0195 6.0195 6.1543 6.1543 6.3742 6.3742 6.5577 6.5577 6.7111 6.7111 6.8735 6.8735 7.7175 7.7175 7.9865 7.9865 8.0720 8.0720 8.1634 8.1634 8.3380 8.3380 8.4732 8.4732 8.8837 8.8837 9.8153 9.8153 12.6801 12.6801 13.2115 13.2115 15.0613 15.0613 15.2827 15.2827 16.0589 16.0589 16.7958 16.7958 17.1222 17.1222 19.5822 19.5822 k = 0.0000 0.5000 0.3713 ( 5992 PWs) bands (ev): -42.2076 -42.2076 -18.9081 -18.9081 -18.2632 -18.2632 -18.2453 -18.2453 5.5211 5.5211 5.6229 5.6229 5.8636 5.8636 6.0187 6.0187 6.1712 6.1712 6.3801 6.3801 6.5544 6.5544 6.7105 6.7105 6.8584 6.8584 7.7360 7.7360 7.9823 7.9823 8.0594 8.0594 8.1642 8.1642 8.3485 8.3485 8.4657 8.4657 8.9044 8.9044 9.9069 9.9069 12.5948 12.5948 13.0721 13.0721 15.0790 15.0790 15.2507 15.2507 16.0612 16.0612 16.7972 16.7972 17.1006 17.1006 19.6638 19.6638 k = 0.0000 0.5000 0.3845 ( 5994 PWs) bands (ev): -42.2076 -42.2076 -18.9081 -18.9081 -18.2632 -18.2632 -18.2455 -18.2455 5.5170 5.5170 5.6264 5.6264 5.8735 5.8735 6.0179 6.0179 6.1889 6.1889 6.3863 6.3863 6.5495 6.5495 6.7095 6.7095 6.8452 6.8452 7.7543 7.7543 7.9768 7.9768 8.0475 8.0475 8.1656 8.1656 8.3575 8.3575 8.4592 8.4592 8.9246 8.9246 10.0007 10.0007 12.5144 12.5144 12.9333 12.9333 15.0952 15.0952 15.2214 15.2214 16.0631 16.0631 16.8010 16.8010 17.0809 17.0809 19.7473 19.7473 k = 0.0000 0.5000 0.3978 ( 5998 PWs) bands (ev): -42.2076 -42.2076 -18.9082 -18.9082 -18.2631 -18.2631 -18.2457 -18.2457 5.5130 5.5130 5.6298 5.6298 5.8825 5.8825 6.0169 6.0169 6.2072 6.2072 6.3926 6.3926 6.5428 6.5428 6.7080 6.7080 6.8341 6.8341 7.7722 7.7722 7.9702 7.9702 8.0361 8.0361 8.1675 8.1675 8.3648 8.3648 8.4540 8.4540 8.9441 8.9441 10.0959 10.0959 12.4393 12.4393 12.7962 12.7962 15.1093 15.1093 15.1954 15.1954 16.0648 16.0648 16.8065 16.8065 17.0631 17.0631 19.8322 19.8322 k = 0.0000 0.5000 0.4110 ( 5998 PWs) bands (ev): -42.2076 -42.2076 -18.9083 -18.9083 -18.2631 -18.2631 -18.2459 -18.2459 5.5091 5.5091 5.6330 5.6330 5.8905 5.8905 6.0160 6.0160 6.2262 6.2262 6.3987 6.3987 6.5343 6.5343 6.7059 6.7059 6.8253 6.8253 7.7896 7.7896 7.9630 7.9630 8.0255 8.0255 8.1696 8.1696 8.3703 8.3703 8.4502 8.4502 8.9626 8.9626 10.1920 10.1920 12.3701 12.3701 12.6619 12.6619 15.1203 15.1203 15.1739 15.1739 16.0662 16.0662 16.8131 16.8131 17.0472 17.0472 19.9181 19.9181 k = 0.0000 0.5000 0.4243 ( 6002 PWs) bands (ev): -42.2076 -42.2076 -18.9083 -18.9083 -18.2631 -18.2631 -18.2461 -18.2461 5.5054 5.5054 5.6359 5.6359 5.8975 5.8975 6.0151 6.0151 6.2459 6.2459 6.4045 6.4045 6.5237 6.5237 6.7034 6.7034 6.8187 6.8187 7.8062 7.8062 7.9555 7.9555 8.0157 8.0157 8.1719 8.1719 8.3739 8.3739 8.4479 8.4479 8.9799 8.9799 10.2880 10.2880 12.3074 12.3074 12.5315 12.5315 15.1241 15.1241 15.1608 15.1608 16.0675 16.0675 16.8201 16.8201 17.0333 17.0333 20.0041 20.0041 k = 0.0000 0.5000 0.4376 ( 6002 PWs) bands (ev): -42.2076 -42.2076 -18.9084 -18.9084 -18.2631 -18.2631 -18.2462 -18.2462 5.5021 5.5021 5.6384 5.6384 5.9036 5.9036 6.0142 6.0142 6.2661 6.2661 6.4098 6.4098 6.5112 6.5112 6.7009 6.7009 6.8140 6.8140 7.8219 7.8219 7.9481 7.9481 8.0065 8.0065 8.1742 8.1742 8.3758 8.3758 8.4469 8.4469 8.9956 8.9956 10.3826 10.3826 12.2517 12.2517 12.4068 12.4068 15.1163 15.1163 15.1605 15.1605 16.0686 16.0686 16.8272 16.8272 17.0213 17.0213 20.0893 20.0893 k = 0.0000 0.5000 0.4508 ( 5998 PWs) bands (ev): -42.2076 -42.2076 -18.9084 -18.9084 -18.2631 -18.2631 -18.2464 -18.2464 5.4992 5.4992 5.6406 5.6406 5.9087 5.9087 6.0134 6.0134 6.2867 6.2867 6.4144 6.4144 6.4968 6.4968 6.6984 6.6984 6.8109 6.8109 7.8365 7.8365 7.9411 7.9411 7.9979 7.9979 8.1763 8.1763 8.3763 8.3763 8.4470 8.4470 9.0094 9.0094 10.4738 10.4738 12.2033 12.2033 12.2900 12.2900 15.1038 15.1038 15.1661 15.1661 16.0695 16.0695 16.8338 16.8338 17.0112 17.0112 20.1725 20.1725 k = 0.0000 0.5000 0.4641 ( 6002 PWs) bands (ev): -42.2076 -42.2076 -18.9084 -18.9084 -18.2630 -18.2630 -18.2465 -18.2465 5.4967 5.4967 5.6424 5.6424 5.9128 5.9128 6.0127 6.0127 6.3075 6.3075 6.4183 6.4183 6.4808 6.4808 6.6963 6.6963 6.8090 6.8090 7.8497 7.8497 7.9348 7.9348 7.9902 7.9902 8.1782 8.1782 8.3760 8.3760 8.4478 8.4478 9.0212 9.0212 10.5591 10.5591 12.1608 12.1608 12.1858 12.1858 15.0920 15.0920 15.1723 15.1723 16.0703 16.0703 16.8396 16.8396 17.0030 17.0030 20.2519 20.2519 k = 0.0000 0.5000 0.4773 ( 5998 PWs) bands (ev): -42.2076 -42.2076 -18.9084 -18.9084 -18.2630 -18.2630 -18.2465 -18.2465 5.4948 5.4948 5.6438 5.6438 5.9160 5.9160 6.0122 6.0122 6.3282 6.3282 6.4214 6.4214 6.4637 6.4637 6.6947 6.6947 6.8079 6.8079 7.8612 7.8612 7.9294 7.9294 7.9834 7.9834 8.1798 8.1798 8.3752 8.3752 8.4488 8.4488 9.0306 9.0306 10.6346 10.6346 12.0885 12.0885 12.1343 12.1343 15.0823 15.0823 15.1776 15.1776 16.0709 16.0709 16.8444 16.8444 16.9967 16.9967 20.3250 20.3250 k = 0.0000 0.5000 0.4906 ( 5996 PWs) bands (ev): -42.2076 -42.2076 -18.9085 -18.9085 -18.2630 -18.2630 -18.2466 -18.2466 5.4934 5.4934 5.6448 5.6448 5.9183 5.9183 6.0118 6.0118 6.3481 6.3481 6.4235 6.4235 6.4463 6.4463 6.6935 6.6935 6.8073 6.8073 7.8704 7.8704 7.9251 7.9251 7.9780 7.9780 8.1809 8.1809 8.3744 8.3744 8.4497 8.4497 9.0374 9.0374 10.6953 10.6953 12.0166 12.0166 12.1106 12.1106 15.0753 15.0753 15.1816 15.1816 16.0713 16.0713 16.8479 16.8479 16.9923 16.9923 20.3881 20.3881 k = 0.0000 0.5000 0.5039 ( 6000 PWs) bands (ev): -42.2076 -42.2076 -18.9085 -18.9085 -18.2630 -18.2630 -18.2466 -18.2466 5.4925 5.4925 5.6454 5.6454 5.9197 5.9197 6.0115 6.0115 6.3654 6.3654 6.4243 6.4243 6.4309 6.4309 6.6928 6.6928 6.8070 6.8070 7.8765 7.8765 7.9222 7.9222 7.9744 7.9744 8.1816 8.1816 8.3738 8.3738 8.4504 8.4504 9.0416 9.0416 10.7353 10.7353 11.9695 11.9695 12.0966 12.0966 15.0710 15.0710 15.1840 15.1840 16.0716 16.0716 16.8501 16.8501 16.9896 16.9896 20.4346 20.4346 k = 0.0000 0.5000 0.5171 ( 6004 PWs) bands (ev): -42.2076 -42.2076 -18.9085 -18.9085 -18.2630 -18.2630 -18.2467 -18.2467 5.4923 5.4923 5.6456 5.6456 5.9201 5.9201 6.0114 6.0114 6.3737 6.3737 6.4212 6.4212 6.4266 6.4266 6.6926 6.6926 6.8069 6.8069 7.8787 7.8787 7.9212 7.9212 7.9731 7.9731 8.1819 8.1819 8.3736 8.3736 8.4506 8.4506 9.0430 9.0430 10.7493 10.7493 11.9531 11.9531 12.0919 12.0919 15.0696 15.0696 15.1848 15.1848 16.0717 16.0717 16.8508 16.8508 16.9887 16.9887 20.4530 20.4530 k = 0.5000 0.5000-0.0000 ( 5960 PWs) bands (ev): -42.2077 -42.2077 -18.9086 -18.9086 -18.2672 -18.2672 -18.2413 -18.2413 5.6847 5.6847 5.7183 5.7183 6.1202 6.1202 6.1579 6.1579 6.2930 6.2930 6.3089 6.3089 6.3139 6.3139 6.3641 6.3641 6.5021 6.5021 7.6131 7.6131 7.7257 7.7257 8.0055 8.0055 8.0533 8.0533 8.6347 8.6347 8.6615 8.6615 9.6309 9.6309 11.3715 11.3715 11.3919 11.3919 11.7053 11.7053 14.9943 14.9943 15.0051 15.0051 15.9418 15.9418 16.3300 16.3300 16.7215 16.7215 21.5138 21.5142 k = 0.5000 0.5000 0.0133 ( 5952 PWs) bands (ev): -42.2077 -42.2077 -18.9086 -18.9086 -18.2672 -18.2672 -18.2413 -18.2413 5.6840 5.6840 5.7177 5.7177 6.1159 6.1159 6.1569 6.1569 6.2855 6.2855 6.3058 6.3058 6.3167 6.3167 6.3752 6.3752 6.5033 6.5033 7.6143 7.6143 7.7266 7.7266 8.0053 8.0053 8.0534 8.0534 8.6345 8.6345 8.6619 8.6619 9.6342 9.6342 11.3721 11.3721 11.3923 11.3923 11.7071 11.7071 14.9932 14.9932 15.0042 15.0042 15.9425 15.9425 16.3303 16.3303 16.7197 16.7197 21.4320 21.4320 k = 0.5000 0.5000 0.0265 ( 5936 PWs) bands (ev): -42.2077 -42.2077 -18.9086 -18.9086 -18.2672 -18.2672 -18.2414 -18.2414 5.6820 5.6820 5.7159 5.7159 6.1035 6.1035 6.1540 6.1540 6.2740 6.2740 6.2907 6.2907 6.3292 6.3292 6.3988 6.3988 6.5071 6.5071 7.6182 7.6182 7.7294 7.7294 8.0050 8.0050 8.0539 8.0539 8.6342 8.6342 8.6630 8.6630 9.6439 9.6439 11.3739 11.3739 11.3933 11.3933 11.7125 11.7125 14.9898 14.9898 15.0014 15.0014 15.9445 15.9445 16.3313 16.3313 16.7142 16.7142 21.2737 21.2737 k = 0.5000 0.5000 0.0398 ( 5916 PWs) bands (ev): -42.2077 -42.2077 -18.9086 -18.9086 -18.2672 -18.2672 -18.2414 -18.2414 5.6785 5.6785 5.7129 5.7129 6.0847 6.0847 6.1491 6.1491 6.2629 6.2629 6.2749 6.2749 6.3421 6.3421 6.4272 6.4272 6.5130 6.5130 7.6245 7.6245 7.7340 7.7340 8.0045 8.0045 8.0546 8.0546 8.6337 8.6337 8.6649 8.6649 9.6600 9.6600 11.3768 11.3768 11.3950 11.3950 11.7216 11.7216 14.9842 14.9842 14.9968 14.9968 15.9479 15.9479 16.3328 16.3328 16.7051 16.7051 21.0941 21.0941 k = 0.5000 0.5000 0.0530 ( 5924 PWs) bands (ev): -42.2077 -42.2077 -18.9086 -18.9086 -18.2672 -18.2672 -18.2415 -18.2415 5.6736 5.6736 5.7087 5.7087 6.0612 6.0612 6.1423 6.1423 6.2530 6.2530 6.2596 6.2596 6.3546 6.3546 6.4579 6.4579 6.5208 6.5208 7.6332 7.6332 7.7403 7.7403 8.0040 8.0040 8.0558 8.0558 8.6332 8.6332 8.6676 8.6676 9.6824 9.6824 11.3809 11.3809 11.3975 11.3975 11.7341 11.7341 14.9763 14.9763 14.9901 14.9901 15.9527 15.9527 16.3350 16.3350 16.6920 16.6920 20.9087 20.9087 k = 0.5000 0.5000 0.0663 ( 5924 PWs) bands (ev): -42.2077 -42.2077 -18.9086 -18.9086 -18.2671 -18.2671 -18.2415 -18.2415 5.6674 5.6674 5.7033 5.7033 6.0347 6.0347 6.1335 6.1335 6.2444 6.2444 6.2446 6.2446 6.3664 6.3664 6.4899 6.4899 6.5301 6.5301 7.6442 7.6442 7.7484 7.7484 8.0036 8.0036 8.0573 8.0573 8.6326 8.6326 8.6710 8.6710 9.7108 9.7108 11.3862 11.3862 11.4006 11.4006 11.7503 11.7503 14.9659 14.9659 14.9815 14.9815 15.9587 15.9587 16.3377 16.3377 16.6750 16.6750 20.7233 20.7233 k = 0.5000 0.5000 0.0796 ( 5924 PWs) bands (ev): -42.2077 -42.2077 -18.9086 -18.9086 -18.2671 -18.2671 -18.2416 -18.2416 5.6598 5.6598 5.6966 5.6966 6.0063 6.0063 6.1231 6.1231 6.2292 6.2292 6.2376 6.2376 6.3774 6.3774 6.5224 6.5224 6.5407 6.5407 7.6572 7.6572 7.7580 7.7580 8.0035 8.0035 8.0593 8.0593 8.6321 8.6321 8.6752 8.6752 9.7449 9.7449 11.3928 11.3928 11.4046 11.4046 11.7698 11.7698 14.9530 14.9530 14.9706 14.9706 15.9660 15.9660 16.3409 16.3409 16.6538 16.6538 20.5405 20.5405 k = 0.5000 0.5000 0.0928 ( 5948 PWs) bands (ev): -42.2076 -42.2076 -18.9086 -18.9086 -18.2670 -18.2670 -18.2417 -18.2417 5.6508 5.6508 5.6888 5.6888 5.9771 5.9771 6.1114 6.1114 6.2139 6.2139 6.2319 6.2319 6.3875 6.3875 6.5508 6.5508 6.5565 6.5565 7.6721 7.6721 7.7691 7.7691 8.0039 8.0039 8.0618 8.0618 8.6319 8.6319 8.6801 8.6801 9.7846 9.7846 11.4006 11.4006 11.4093 11.4093 11.7928 11.7928 14.9373 14.9373 14.9575 14.9575 15.9745 15.9745 16.3446 16.3446 16.6282 16.6282 20.3616 20.3616 k = 0.5000 0.5000 0.1061 ( 5960 PWs) bands (ev): -42.2076 -42.2076 -18.9086 -18.9086 -18.2669 -18.2669 -18.2418 -18.2418 5.6406 5.6406 5.6799 5.6799 5.9475 5.9475 6.0989 6.0989 6.1984 6.1984 6.2273 6.2273 6.3967 6.3967 6.5634 6.5634 6.5885 6.5885 7.6884 7.6884 7.7814 7.7814 8.0050 8.0050 8.0650 8.0650 8.6319 8.6319 8.6857 8.6857 9.8295 9.8295 11.4097 11.4097 11.4149 11.4149 11.8191 11.8191 14.9189 14.9189 14.9420 14.9420 15.9841 15.9841 16.3488 16.3488 16.5979 16.5979 20.1878 20.1878 k = 0.5000 0.5000 0.1193 ( 5968 PWs) bands (ev): -42.2076 -42.2076 -18.9086 -18.9086 -18.2669 -18.2669 -18.2419 -18.2419 5.6291 5.6291 5.6697 5.6697 5.9180 5.9180 6.0857 6.0857 6.1827 6.1827 6.2235 6.2235 6.4048 6.4048 6.5758 6.5758 6.6208 6.6208 7.7058 7.7058 7.7949 7.7949 8.0071 8.0071 8.0690 8.0690 8.6325 8.6325 8.6920 8.6920 9.8793 9.8793 11.4201 11.4201 11.4214 11.4214 11.8487 11.8487 14.8974 14.8974 14.9239 14.9239 15.9948 15.9948 16.3533 16.3533 16.5626 16.5626 20.0195 20.0195 k = 0.5000 0.5000 0.1326 ( 5980 PWs) bands (ev): -42.2076 -42.2076 -18.9086 -18.9086 -18.2668 -18.2668 -18.2420 -18.2420 5.6165 5.6165 5.6584 5.6584 5.8891 5.8891 6.0723 6.0723 6.1669 6.1669 6.2204 6.2204 6.4121 6.4121 6.5885 6.5885 6.6526 6.6526 7.7239 7.7239 7.8091 7.8091 8.0104 8.0104 8.0740 8.0740 8.6337 8.6337 8.6989 8.6989 9.9338 9.9338 11.4288 11.4288 11.4319 11.4319 11.8813 11.8813 14.8727 14.8727 14.9030 14.9030 16.0065 16.0065 16.3581 16.3581 16.5221 16.5221 19.8575 19.8575 k = 0.5000 0.5000 0.1459 ( 5980 PWs) bands (ev): -42.2076 -42.2076 -18.9086 -18.9086 -18.2667 -18.2667 -18.2422 -18.2422 5.6029 5.6029 5.6459 5.6459 5.8610 5.8610 6.0588 6.0588 6.1511 6.1511 6.2177 6.2177 6.4185 6.4185 6.6012 6.6012 6.6836 6.6836 7.7423 7.7423 7.8238 7.8238 8.0154 8.0154 8.0803 8.0803 8.6357 8.6357 8.7066 8.7066 9.9927 9.9927 11.4372 11.4372 11.4452 11.4452 11.9170 11.9170 14.8445 14.8445 14.8792 14.8792 16.0191 16.0191 16.3631 16.3631 16.4760 16.4760 19.7020 19.7020 k = 0.5000 0.5000 0.1591 ( 5972 PWs) bands (ev): -42.2076 -42.2076 -18.9085 -18.9085 -18.2666 -18.2666 -18.2423 -18.2423 5.5883 5.5883 5.6323 5.6323 5.8338 5.8338 6.0453 6.0453 6.1354 6.1354 6.2155 6.2155 6.4240 6.4240 6.6140 6.6140 6.7138 6.7138 7.7603 7.7603 7.8387 7.8387 8.0221 8.0221 8.0880 8.0880 8.6387 8.6387 8.7149 8.7149 10.0558 10.0558 11.4468 11.4468 11.4598 11.4598 11.9555 11.9555 14.8128 14.8128 14.8523 14.8523 16.0324 16.0324 16.3683 16.3683 16.4241 16.4241 19.5536 19.5536 k = 0.5000 0.5000 0.1724 ( 5972 PWs) bands (ev): -42.2076 -42.2076 -18.9085 -18.9085 -18.2665 -18.2665 -18.2425 -18.2425 5.5729 5.5729 5.6176 5.6176 5.8078 5.8078 6.0318 6.0318 6.1197 6.1197 6.2136 6.2136 6.4289 6.4289 6.6267 6.6267 6.7430 6.7430 7.7776 7.7776 7.8532 7.8532 8.0308 8.0308 8.0975 8.0975 8.6427 8.6427 8.7237 8.7237 10.1228 10.1228 11.4574 11.4574 11.4761 11.4761 11.9968 11.9968 14.7773 14.7773 14.8220 14.8220 16.0462 16.0462 16.3663 16.3663 16.3735 16.3735 19.4124 19.4124 k = 0.5000 0.5000 0.1856 ( 5964 PWs) bands (ev): -42.2076 -42.2076 -18.9085 -18.9085 -18.2664 -18.2664 -18.2426 -18.2426 5.5569 5.5569 5.6019 5.6019 5.7830 5.7830 6.0185 6.0185 6.1042 6.1042 6.2120 6.2120 6.4333 6.4333 6.6393 6.6393 6.7710 6.7710 7.7936 7.7936 7.8670 7.8670 8.0416 8.0416 8.1090 8.1090 8.6481 8.6481 8.7332 8.7332 10.1934 10.1934 11.4693 11.4693 11.4939 11.4939 12.0406 12.0406 14.7378 14.7378 14.7882 14.7882 16.0599 16.0599 16.3028 16.3028 16.3786 16.3786 19.2784 19.2784 k = 0.5000 0.5000 0.1989 ( 5968 PWs) bands (ev): -42.2076 -42.2076 -18.9085 -18.9085 -18.2663 -18.2663 -18.2428 -18.2428 5.5404 5.5404 5.5852 5.5852 5.7596 5.7596 6.0053 6.0053 6.0890 6.0890 6.2107 6.2107 6.4370 6.4370 6.6518 6.6518 6.7980 6.7980 7.8081 7.8081 7.8797 7.8797 8.0544 8.0544 8.1228 8.1228 8.6550 8.6550 8.7432 8.7432 10.2674 10.2674 11.4825 11.4825 11.5133 11.5133 12.0868 12.0868 14.6942 14.6942 14.7508 14.7508 16.0721 16.0721 16.2347 16.2347 16.3835 16.3835 19.1516 19.1516 k = 0.5000 0.5000 0.2121 ( 5968 PWs) bands (ev): -42.2076 -42.2076 -18.9085 -18.9085 -18.2662 -18.2662 -18.2430 -18.2430 5.5235 5.5235 5.5677 5.5677 5.7375 5.7375 5.9923 5.9923 6.0741 6.0741 6.2095 6.2095 6.4404 6.4404 6.6640 6.6640 6.8236 6.8236 7.8209 7.8209 7.8910 7.8910 8.0691 8.0691 8.1390 8.1390 8.6637 8.6637 8.7537 8.7537 10.3447 10.3447 11.4971 11.4971 11.5345 11.5345 12.1351 12.1351 14.6464 14.6464 14.7095 14.7095 16.0758 16.0758 16.1691 16.1691 16.3882 16.3882 19.0316 19.0316 k = 0.5000 0.5000 0.2254 ( 5952 PWs) bands (ev): -42.2076 -42.2076 -18.9085 -18.9085 -18.2661 -18.2661 -18.2431 -18.2431 5.5064 5.5064 5.5496 5.5496 5.7168 5.7168 5.9793 5.9793 6.0595 6.0595 6.2086 6.2086 6.4435 6.4435 6.6760 6.6760 6.8481 6.8481 7.8320 7.8320 7.9007 7.9007 8.0850 8.0850 8.1576 8.1576 8.6741 8.6741 8.7646 8.7646 10.4251 10.4251 11.5133 11.5133 11.5575 11.5575 12.1854 12.1854 14.5942 14.5942 14.6644 14.6644 16.0389 16.0389 16.1380 16.1380 16.3925 16.3925 18.9180 18.9180 k = 0.5000 0.5000 0.2387 ( 5952 PWs) bands (ev): -42.2076 -42.2076 -18.9085 -18.9085 -18.2660 -18.2660 -18.2433 -18.2433 5.4892 5.4892 5.5310 5.5310 5.6974 5.6974 5.9666 5.9666 6.0453 6.0453 6.2079 6.2079 6.4464 6.4464 6.6878 6.6878 6.8713 6.8713 7.8417 7.8417 7.9089 7.9089 8.1018 8.1018 8.1784 8.1784 8.6866 8.6866 8.7760 8.7760 10.5082 10.5082 11.5311 11.5311 11.5824 11.5824 12.2373 12.2373 14.5378 14.5378 14.6152 14.6152 15.9591 15.9591 16.1436 16.1436 16.3962 16.3962 18.8105 18.8105 k = 0.5000 0.5000 0.2519 ( 5952 PWs) bands (ev): -42.2076 -42.2076 -18.9085 -18.9085 -18.2658 -18.2658 -18.2435 -18.2435 5.4721 5.4721 5.5122 5.5122 5.6791 5.6791 5.9539 5.9539 6.0315 6.0315 6.2073 6.2073 6.4490 6.4490 6.6992 6.6992 6.8931 6.8931 7.8500 7.8500 7.9156 7.9156 8.1189 8.1189 8.2011 8.2011 8.7013 8.7013 8.7878 8.7878 10.5941 10.5941 11.5506 11.5506 11.6092 11.6092 12.2907 12.2907 14.4771 14.4771 14.5622 14.5622 15.8651 15.8651 16.1575 16.1575 16.3994 16.3994 18.7088 18.7088 k = 0.5000 0.5000 0.2652 ( 5952 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2657 -18.2657 -18.2437 -18.2437 5.4552 5.4552 5.4933 5.4933 5.6620 5.6620 5.9415 5.9415 6.0181 6.0181 6.2069 6.2069 6.4516 6.4516 6.7102 6.7102 6.9137 6.9137 7.8572 7.8572 7.9209 7.9209 8.1357 8.1357 8.2253 8.2253 8.7180 8.7180 8.7998 8.7998 10.6823 10.6823 11.5719 11.5719 11.6381 11.6381 12.3452 12.3452 14.4122 14.4122 14.5052 14.5052 15.7636 15.7636 16.1736 16.1736 16.4018 16.4018 18.6129 18.6129 k = 0.5000 0.5000 0.2784 ( 5952 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2656 -18.2656 -18.2439 -18.2439 5.4386 5.4386 5.4745 5.4745 5.6459 5.6459 5.9292 5.9292 6.0053 6.0053 6.2066 6.2066 6.4540 6.4540 6.7209 6.7209 6.9330 6.9330 7.8635 7.8635 7.9250 7.9250 8.1517 8.1517 8.2507 8.2507 8.7369 8.7369 8.8122 8.8122 10.7729 10.7729 11.5952 11.5952 11.6691 11.6691 12.4005 12.4005 14.3434 14.3434 14.4445 14.4445 15.6562 15.6562 16.1903 16.1903 16.4033 16.4033 18.5230 18.5231 k = 0.5000 0.5000 0.2917 ( 5960 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2655 -18.2655 -18.2440 -18.2440 5.4223 5.4223 5.4561 5.4561 5.6308 5.6308 5.9172 5.9172 5.9930 5.9930 6.2064 6.2064 6.4564 6.4564 6.7312 6.7312 6.9510 6.9510 7.8690 7.8690 7.9281 7.9281 8.1667 8.1667 8.2767 8.2767 8.7578 8.7578 8.8248 8.8248 10.8654 10.8654 11.6205 11.6205 11.7022 11.7022 12.4561 12.4561 14.2709 14.2709 14.3803 14.3803 15.5439 15.5439 16.2073 16.2073 16.4040 16.4040 18.4404 18.4453 k = 0.5000 0.5000 0.3050 ( 5960 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2654 -18.2654 -18.2442 -18.2442 5.4066 5.4066 5.4382 5.4382 5.6165 5.6165 5.9055 5.9055 5.9812 5.9812 6.2063 6.2063 6.4588 6.4588 6.7411 6.7411 6.9678 6.9678 7.8740 7.8740 7.9304 7.9304 8.1804 8.1804 8.3031 8.3031 8.7805 8.7805 8.8375 8.8375 10.9599 10.9599 11.6480 11.6480 11.7377 11.7377 12.5118 12.5118 14.1949 14.1949 14.3129 14.3129 15.4277 15.4277 16.2242 16.2242 16.4036 16.4036 18.3633 18.3634 k = 0.5000 0.5000 0.3182 ( 5952 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2653 -18.2653 -18.2444 -18.2444 5.3915 5.3915 5.4209 5.4209 5.6032 5.6032 5.8941 5.8941 5.9701 5.9701 6.2063 6.2063 6.4612 6.4612 6.7505 6.7505 6.9834 6.9834 7.8785 7.8785 7.9320 7.9320 8.1926 8.1926 8.3295 8.3295 8.8046 8.8046 8.8504 8.8504 11.0559 11.0559 11.6777 11.6777 11.7754 11.7754 12.5669 12.5669 14.1160 14.1160 14.2427 14.2427 15.3084 15.3084 16.2409 16.2409 16.4021 16.4021 18.2848 18.2854 k = 0.5000 0.5000 0.3315 ( 5952 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2652 -18.2652 -18.2445 -18.2445 5.3770 5.3770 5.4044 5.4044 5.5907 5.5907 5.8832 5.8832 5.9595 5.9595 6.2063 6.2063 6.4635 6.4635 6.7594 6.7594 6.9978 6.9978 7.8826 7.8826 7.9331 7.9331 8.2034 8.2034 8.3554 8.3554 8.8298 8.8298 8.8632 8.8632 11.1532 11.1532 11.7097 11.7097 11.8155 11.8155 12.6210 12.6210 14.0345 14.0345 14.1703 14.1703 15.1866 15.1866 16.2571 16.2571 16.3995 16.3995 18.2132 18.2132 k = 0.5000 0.5000 0.3447 ( 5944 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2651 -18.2651 -18.2447 -18.2447 5.3633 5.3633 5.3886 5.3886 5.5790 5.5790 5.8726 5.8726 5.9496 5.9496 6.2064 6.2064 6.4658 6.4658 6.7678 6.7678 7.0110 7.0110 7.8863 7.8863 7.9338 7.9338 8.2128 8.2128 8.3805 8.3805 8.8557 8.8557 8.8760 8.8760 11.2515 11.2515 11.7441 11.7441 11.8579 11.8579 12.6733 12.6733 13.9511 13.9511 14.0962 14.0962 15.0632 15.0632 16.2728 16.2728 16.3958 16.3958 18.1484 18.1484 k = 0.5000 0.5000 0.3580 ( 5936 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2650 -18.2650 -18.2449 -18.2449 5.3503 5.3503 5.3738 5.3738 5.5681 5.5681 5.8626 5.8626 5.9403 5.9403 6.2065 6.2065 6.4681 6.4681 6.7756 6.7756 7.0231 7.0231 7.8897 7.8897 7.9342 7.9342 8.2209 8.2209 8.4046 8.4046 8.8818 8.8818 8.8887 8.8887 11.3504 11.3504 11.7809 11.7809 11.9027 11.9027 12.7233 12.7233 13.8662 13.8662 14.0212 14.0212 14.9390 14.9390 16.2879 16.2879 16.3910 16.3910 18.0901 18.0902 k = 0.5000 0.5000 0.3713 ( 5936 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2649 -18.2649 -18.2450 -18.2450 5.3382 5.3382 5.3600 5.3600 5.5580 5.5580 5.8532 5.8532 5.9317 5.9317 6.2066 6.2066 6.4703 6.4703 6.7830 6.7830 7.0342 7.0342 7.8928 7.8928 7.9343 7.9343 8.2278 8.2278 8.4275 8.4275 8.9010 8.9010 8.9077 8.9077 11.4495 11.4495 11.8199 11.8199 11.9499 11.9499 12.7699 12.7699 13.7806 13.7806 13.9462 13.9462 14.8149 14.8149 16.3022 16.3022 16.3852 16.3852 18.0380 18.0380 k = 0.5000 0.5000 0.3845 ( 5936 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2648 -18.2648 -18.2451 -18.2451 5.3270 5.3270 5.3472 5.3472 5.5487 5.5487 5.8443 5.8443 5.9238 5.9238 6.2068 6.2068 6.4724 6.4724 6.7897 6.7897 7.0441 7.0441 7.8957 7.8957 7.9342 7.9342 8.2337 8.2337 8.4488 8.4488 8.9130 8.9130 8.9329 8.9329 11.5481 11.5481 11.8613 11.8613 11.9992 11.9992 12.8123 12.8123 13.6950 13.6950 13.8724 13.8724 14.6918 14.6918 16.3156 16.3156 16.3785 16.3785 17.9918 17.9918 k = 0.5000 0.5000 0.3978 ( 5928 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2647 -18.2647 -18.2453 -18.2453 5.3168 5.3168 5.3356 5.3356 5.5403 5.5403 5.8362 5.8362 5.9165 5.9165 6.2069 6.2069 6.4744 6.4744 6.7959 6.7959 7.0530 7.0530 7.8982 7.8982 7.9340 7.9340 8.2386 8.2386 8.4685 8.4685 8.9244 8.9244 8.9571 8.9571 11.6455 11.6455 11.9047 11.9047 12.0507 12.0507 12.8491 12.8491 13.6103 13.6103 13.8010 13.8010 14.5707 14.5707 16.3281 16.3281 16.3712 16.3712 17.9511 17.9511 k = 0.5000 0.5000 0.4110 ( 5928 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2646 -18.2646 -18.2454 -18.2454 5.3075 5.3075 5.3250 5.3250 5.5327 5.5327 5.8288 5.8288 5.9100 5.9100 6.2070 6.2070 6.4763 6.4763 6.8015 6.8015 7.0609 7.0609 7.9005 7.9005 7.9337 7.9337 8.2426 8.2426 8.4863 8.4863 8.9352 8.9352 8.9798 8.9798 11.7407 11.7407 11.9499 11.9499 12.1039 12.1039 12.8789 12.8789 13.5274 13.5274 13.7337 13.7337 14.4527 14.4527 16.3395 16.3395 16.3633 16.3633 17.9156 17.9156 k = 0.5000 0.5000 0.4243 ( 5936 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2646 -18.2646 -18.2455 -18.2455 5.2992 5.2992 5.3156 5.3156 5.5260 5.5260 5.8221 5.8221 5.9043 5.9043 6.2072 6.2072 6.4780 6.4780 6.8064 6.8064 7.0679 7.0679 7.9025 7.9025 7.9334 7.9334 8.2460 8.2460 8.5022 8.5022 8.9451 8.9451 9.0007 9.0007 11.8324 11.8324 11.9964 11.9964 12.1586 12.1586 12.9002 12.9002 13.4473 13.4473 13.6722 13.6722 14.3392 14.3392 16.3497 16.3497 16.3553 16.3553 17.8851 17.8851 k = 0.5000 0.5000 0.4376 ( 5936 PWs) bands (ev): -42.2075 -42.2075 -18.9085 -18.9085 -18.2645 -18.2645 -18.2456 -18.2456 5.2920 5.2920 5.3075 5.3075 5.5201 5.5201 5.8162 5.8162 5.8993 5.8993 6.2073 6.2073 6.4795 6.4795 6.8107 6.8107 7.0738 7.0738 7.9043 7.9043 7.9331 7.9331 8.2487 8.2487 8.5161 8.5161 8.9541 8.9541 9.0194 9.0194 11.9189 11.9189 12.0437 12.0437 12.2141 12.2141 12.9115 12.9115 13.3716 13.3716 13.6185 13.6185 14.2319 14.2319 16.3473 16.3473 16.3588 16.3588 17.8592 17.8592 k = 0.5000 0.5000 0.4508 ( 5936 PWs) bands (ev): -42.2074 -42.2074 -18.9085 -18.9085 -18.2645 -18.2645 -18.2456 -18.2456 5.2859 5.2859 5.3005 5.3005 5.5152 5.5152 5.8112 5.8112 5.8950 5.8950 6.2074 6.2074 6.4809 6.4809 6.8144 6.8144 7.0788 7.0788 7.9058 7.9058 7.9327 7.9327 8.2509 8.2509 8.5280 8.5280 8.9620 8.9620 9.0358 9.0358 11.9982 11.9982 12.0907 12.0907 12.2696 12.2696 12.9118 12.9118 13.3017 13.3017 13.5742 13.5742 14.1327 14.1327 16.3398 16.3398 16.3665 16.3665 17.8377 17.8377 k = 0.5000 0.5000 0.4641 ( 5952 PWs) bands (ev): -42.2074 -42.2074 -18.9085 -18.9085 -18.2644 -18.2644 -18.2457 -18.2457 5.2808 5.2808 5.2948 5.2948 5.5111 5.5111 5.8071 5.8071 5.8915 5.8915 6.2075 6.2075 6.4820 6.4820 6.8174 6.8174 7.0829 7.0829 7.9070 7.9070 7.9324 7.9324 8.2526 8.2526 8.5377 8.5377 8.9686 8.9686 9.0494 9.0494 12.0677 12.0677 12.1359 12.1359 12.3236 12.3236 12.9015 12.9015 13.2396 13.2396 13.5403 13.5403 14.0444 14.0444 16.3331 16.3331 16.3730 16.3730 17.8204 17.8204 k = 0.5000 0.5000 0.4773 ( 5948 PWs) bands (ev): -42.2074 -42.2074 -18.9085 -18.9085 -18.2644 -18.2644 -18.2458 -18.2458 5.2769 5.2769 5.2903 5.2903 5.5079 5.5079 5.8038 5.8038 5.8887 5.8887 6.2075 6.2075 6.4829 6.4829 6.8198 6.8198 7.0861 7.0861 7.9080 7.9080 7.9322 7.9322 8.2539 8.2539 8.5453 8.5453 8.9739 8.9739 9.0603 9.0603 12.1250 12.1250 12.1769 12.1769 12.3740 12.3740 12.8829 12.8829 13.1876 13.1876 13.5163 13.5163 13.9700 13.9700 16.3275 16.3275 16.3780 16.3780 17.8072 17.8072 k = 0.5000 0.5000 0.4906 ( 5948 PWs) bands (ev): -42.2074 -42.2074 -18.9085 -18.9085 -18.2644 -18.2644 -18.2458 -18.2458 5.2741 5.2741 5.2871 5.2871 5.5056 5.5056 5.8015 5.8015 5.8868 5.8868 6.2076 6.2076 6.4836 6.4836 6.8214 6.8214 7.0883 7.0883 7.9087 7.9087 7.9320 7.9320 8.2548 8.2548 8.5507 8.5507 8.9778 8.9778 9.0681 9.0681 12.1681 12.1681 12.2099 12.2099 12.4171 12.4171 12.8609 12.8609 13.1481 13.1481 13.5010 13.5010 13.9130 13.9130 16.3232 16.3232 16.3816 16.3816 17.7978 17.7978 k = 0.5000 0.5000 0.5039 ( 5944 PWs) bands (ev): -42.2074 -42.2074 -18.9085 -18.9085 -18.2644 -18.2644 -18.2458 -18.2458 5.2724 5.2724 5.2852 5.2852 5.5042 5.5042 5.8001 5.8001 5.8856 5.8856 6.2076 6.2076 6.4840 6.4840 6.8225 6.8225 7.0896 7.0896 7.9091 7.9091 7.9319 7.9319 8.2553 8.2553 8.5539 8.5539 8.9802 8.9802 9.0729 9.0729 12.1955 12.1955 12.2311 12.2311 12.4473 12.4473 12.8424 12.8424 13.1234 13.1234 13.4928 13.4928 13.8769 13.8769 16.3206 16.3206 16.3838 16.3838 17.7922 17.7923 k = 0.5000 0.5000 0.5171 ( 5944 PWs) bands (ev): -42.2074 -42.2074 -18.9085 -18.9085 -18.2643 -18.2643 -18.2458 -18.2458 5.2718 5.2718 5.2846 5.2846 5.5037 5.5037 5.7996 5.7996 5.8852 5.8852 6.2076 6.2076 6.4841 6.4841 6.8228 6.8228 7.0901 7.0901 7.9092 7.9092 7.9318 7.9318 8.2555 8.2555 8.5550 8.5550 8.9809 8.9809 9.0745 9.0745 12.2050 12.2050 12.2382 12.2382 12.4585 12.4585 12.8350 12.8350 13.1150 13.1150 13.4902 13.4902 13.8646 13.8646 16.3197 16.3197 16.3846 16.3846 17.7904 17.7904 Writing output data file TiCdHg2.save init_run : 1.06s CPU 1.41s WALL ( 1 calls) electrons : 438.89s CPU 445.25s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.09s WALL ( 1 calls) potinit : 0.03s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 438.88s CPU 445.24s 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 : 0.12s CPU 0.17s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.11s CPU 0.14s WALL ( 384 calls) cegterg : 421.97s CPU 426.63s WALL ( 960 calls) Called by sum_band: Called by *egterg: h_psi : 240.02s CPU 243.62s WALL ( 15946 calls) s_psi : 11.24s CPU 11.46s WALL ( 15946 calls) g_psi : 0.79s CPU 0.79s WALL ( 14602 calls) cdiaghg : 126.08s CPU 127.01s WALL ( 14986 calls) cegterg:over : 20.24s CPU 20.42s WALL ( 14602 calls) cegterg:upda : 18.66s CPU 18.85s WALL ( 14602 calls) cegterg:last : 10.26s CPU 10.17s WALL ( 2628 calls) cdiaghg:chol : 7.26s CPU 7.27s WALL ( 14986 calls) cdiaghg:inve : 4.97s CPU 5.02s WALL ( 14986 calls) cdiaghg:para : 7.91s CPU 7.99s WALL ( 29972 calls) Called by h_psi: h_psi:vloc : 210.24s CPU 213.65s WALL ( 15946 calls) h_psi:vnl : 29.10s CPU 29.17s WALL ( 15946 calls) add_vuspsi : 15.34s CPU 15.24s WALL ( 15946 calls) General routines calbec : 13.71s CPU 13.89s WALL ( 15946 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 194.89s CPU 197.87s WALL ( 1791508 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.24s CPU 0.35s WALL ( 768 calls) Parallel routines fft_scatter : 66.41s CPU 67.67s WALL ( 1791531 calls) PWSCF : 7m44.92s CPU 8m23.65s WALL This run was terminated on: 16:56:33 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=