Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Dec2016 at 17:57: 2 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 64 processors R & G space division: proc/nbgrp/npool/nimage = 64 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: ./Cu3AsS4.save/ file Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 29 22 6 957 647 100 Max 30 23 7 962 665 107 Sum 1885 1465 421 61349 41923 6619 bravais-lattice index = 14 lattice parameter (alat) = 9.9778 a.u. unit-cell volume = 993.3408 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 3 number of electrons = 62.00 number of Kohn-Sham states= 74 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 237.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 9.977753 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.000000 ) 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 1.000000 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 As read from file: /home/autes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Cu read from file: /home/autes/Pseudo/Cu.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: bfb9b73be46f5385f72b338ff57911ad Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1199 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) As 5.00 74.92160 As( 1.00) Cu 11.00 63.54600 Cu( 1.00) 24 Sym. Ops. (no 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 = 5 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 5) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 5) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 6 120 deg rotation - cart. axis [-1,1,1] cryst. s( 6) = ( 0 0 -1 ) ( -1 0 0 ) ( 0 1 0 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) ( 1 0 0 ) ( 0 -1 0 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) ( -1 0 0 ) ( 0 -1 0 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 9 120 deg rotation - cart. axis [1,1,1] cryst. s( 9) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 9) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 10 120 deg rotation - cart. axis [-1,1,-1] cryst. s(10) = ( 0 -1 0 ) ( 0 0 -1 ) ( 1 0 0 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) ( 0 0 1 ) ( -1 0 0 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) ( 0 0 -1 ) ( -1 0 0 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 13 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s(13) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(13) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 14 inv. 180 deg rotation - cart. axis [1,-1,0] cryst. s(14) = ( 0 1 0 ) ( 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 ) isym = 17 inv. 180 deg rotation - cart. axis [1,0,1] cryst. s(17) = ( 0 0 -1 ) ( 0 1 0 ) ( -1 0 0 ) cart. s(17) = ( -0.0000000 0.0000000 -1.0000000 ) ( -0.0000000 1.0000000 -0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 18 inv. 180 deg rotation - cart. axis [-1,0,1] cryst. s(18) = ( 0 0 1 ) ( 0 1 0 ) ( 1 0 0 ) cart. s(18) = ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 19 inv. 90 deg rotation - cart. axis [0,1,0] cryst. s(19) = ( 0 0 1 ) ( 0 -1 0 ) ( -1 0 0 ) cart. s(19) = ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 20 inv. 90 deg rotation - cart. axis [0,-1,0] cryst. s(20) = ( 0 0 -1 ) ( 0 -1 0 ) ( 1 0 0 ) cart. s(20) = ( -0.0000000 -0.0000000 1.0000000 ) ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) isym = 21 inv. 180 deg rotation - cart. axis [0,1,1] cryst. s(21) = ( 1 0 0 ) ( 0 0 -1 ) ( 0 -1 0 ) cart. s(21) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) isym = 22 inv. 180 deg rotation - cart. axis [0,1,-1] cryst. s(22) = ( 1 0 0 ) ( 0 0 1 ) ( 0 1 0 ) cart. s(22) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 23 inv. 90 deg rotation - cart. axis [-1,0,0] cryst. s(23) = ( -1 0 0 ) ( 0 0 1 ) ( 0 -1 0 ) cart. s(23) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) isym = 24 inv. 90 deg rotation - cart. axis [1,0,0] cryst. s(24) = ( -1 0 0 ) ( 0 0 -1 ) ( 0 1 0 ) cart. s(24) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) double point group T_d (-43m) there are 8 classes and 3 irreducible representations the character table: E -E 8C3 -8C3 3C2 6S4 -6S4 6s_d -3C2 -6s_d G_6 2.00 -2.00 1.00 -1.00 0.00 1.41 -1.41 0.00 G_7 2.00 -2.00 1.00 -1.00 0.00 -1.41 1.41 0.00 G_8 4.00 -4.00 -1.00 1.00 0.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 8C3 5 7 8 6 12 9 10 11 120 deg rotation - cart. axis [-1,-1,-1] -8C3 -5 -7 -8 -6 -12 -9 -10 -11 120 deg rotation - cart. axis [-1,-1,-1] E 3C2 -3C2 2 -2 3 -3 4 -4 180 deg rotation - cart. axis [0,0,1] 6S4 15 16 20 19 23 24 inv. 90 deg rotation - cart. axis [0,0,-1] -6S4 -15 -16 -20 -19 -23 -24 inv. 90 deg rotation - cart. axis [0,0,-1] E 6s_d -6s_d 13 -13 14 -14 17 -17 18 -18 21 -21 22 -22 inv. 180 deg rotation - cart. axis [1,1,0] Cartesian axes number of k points= 234 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042735 k( 2) = ( 0.0000000 0.0166667 -0.0000000), wk = 0.0042735 k( 3) = ( 0.0000000 0.0333333 -0.0000000), wk = 0.0042735 k( 4) = ( 0.0000000 0.0500000 -0.0000000), wk = 0.0042735 k( 5) = ( 0.0000000 0.0666667 -0.0000000), wk = 0.0042735 k( 6) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0042735 k( 7) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0042735 k( 8) = ( 0.0000000 0.1166667 -0.0000000), wk = 0.0042735 k( 9) = ( 0.0000000 0.1333333 -0.0000000), wk = 0.0042735 k( 10) = ( 0.0000000 0.1500000 -0.0000000), wk = 0.0042735 k( 11) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0042735 k( 12) = ( 0.0000000 0.1833333 -0.0000000), wk = 0.0042735 k( 13) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0042735 k( 14) = ( 0.0000000 0.2166667 -0.0000000), wk = 0.0042735 k( 15) = ( 0.0000000 0.2333333 -0.0000000), wk = 0.0042735 k( 16) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0042735 k( 17) = ( 0.0000000 0.2666667 -0.0000000), wk = 0.0042735 k( 18) = ( 0.0000000 0.2833333 -0.0000000), wk = 0.0042735 k( 19) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0042735 k( 20) = ( 0.0000000 0.3166667 -0.0000000), wk = 0.0042735 k( 21) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0042735 k( 22) = ( 0.0000000 0.3500000 -0.0000000), wk = 0.0042735 k( 23) = ( 0.0000000 0.3666667 -0.0000000), wk = 0.0042735 k( 24) = ( 0.0000000 0.3833333 -0.0000000), wk = 0.0042735 k( 25) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0042735 k( 26) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0042735 k( 27) = ( 0.0000000 0.4333333 -0.0000000), wk = 0.0042735 k( 28) = ( 0.0000000 0.4500000 -0.0000000), wk = 0.0042735 k( 29) = ( 0.0000000 0.4666667 -0.0000000), wk = 0.0042735 k( 30) = ( 0.0000000 0.4833333 -0.0000000), wk = 0.0042735 k( 31) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0042735 k( 32) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0042735 k( 33) = ( 0.0166667 0.5000000 -0.0000000), wk = 0.0042735 k( 34) = ( 0.0333333 0.5000000 -0.0000000), wk = 0.0042735 k( 35) = ( 0.0500000 0.5000000 -0.0000000), wk = 0.0042735 k( 36) = ( 0.0666667 0.5000000 -0.0000000), wk = 0.0042735 k( 37) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0042735 k( 38) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0042735 k( 39) = ( 0.1166667 0.5000000 -0.0000000), wk = 0.0042735 k( 40) = ( 0.1333333 0.5000000 -0.0000000), wk = 0.0042735 k( 41) = ( 0.1500000 0.5000000 -0.0000000), wk = 0.0042735 k( 42) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0042735 k( 43) = ( 0.1833333 0.5000000 -0.0000000), wk = 0.0042735 k( 44) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0042735 k( 45) = ( 0.2166667 0.5000000 -0.0000000), wk = 0.0042735 k( 46) = ( 0.2333333 0.5000000 -0.0000000), wk = 0.0042735 k( 47) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0042735 k( 48) = ( 0.2666667 0.5000000 -0.0000000), wk = 0.0042735 k( 49) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0042735 k( 50) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0042735 k( 51) = ( 0.3166667 0.5000000 -0.0000000), wk = 0.0042735 k( 52) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0042735 k( 53) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0042735 k( 54) = ( 0.3666667 0.5000000 -0.0000000), wk = 0.0042735 k( 55) = ( 0.3833333 0.5000000 -0.0000000), wk = 0.0042735 k( 56) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0042735 k( 57) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0042735 k( 58) = ( 0.4333333 0.5000000 -0.0000000), wk = 0.0042735 k( 59) = ( 0.4500000 0.5000000 -0.0000000), wk = 0.0042735 k( 60) = ( 0.4666667 0.5000000 -0.0000000), wk = 0.0042735 k( 61) = ( 0.4833333 0.5000000 -0.0000000), wk = 0.0042735 k( 62) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0042735 k( 63) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0042735 k( 64) = ( 0.4883721 0.4883721 -0.0000000), wk = 0.0042735 k( 65) = ( 0.4767442 0.4767442 -0.0000000), wk = 0.0042735 k( 66) = ( 0.4651163 0.4651163 -0.0000000), wk = 0.0042735 k( 67) = ( 0.4534884 0.4534884 -0.0000000), wk = 0.0042735 k( 68) = ( 0.4418605 0.4418605 -0.0000000), wk = 0.0042735 k( 69) = ( 0.4302326 0.4302326 -0.0000000), wk = 0.0042735 k( 70) = ( 0.4186047 0.4186046 -0.0000000), wk = 0.0042735 k( 71) = ( 0.4069767 0.4069767 -0.0000000), wk = 0.0042735 k( 72) = ( 0.3953488 0.3953488 -0.0000000), wk = 0.0042735 k( 73) = ( 0.3837209 0.3837209 -0.0000000), wk = 0.0042735 k( 74) = ( 0.3720930 0.3720930 -0.0000000), wk = 0.0042735 k( 75) = ( 0.3604651 0.3604651 -0.0000000), wk = 0.0042735 k( 76) = ( 0.3488372 0.3488372 -0.0000000), wk = 0.0042735 k( 77) = ( 0.3372093 0.3372093 -0.0000000), wk = 0.0042735 k( 78) = ( 0.3255814 0.3255814 -0.0000000), wk = 0.0042735 k( 79) = ( 0.3139535 0.3139535 -0.0000000), wk = 0.0042735 k( 80) = ( 0.3023256 0.3023256 -0.0000000), wk = 0.0042735 k( 81) = ( 0.2906977 0.2906977 -0.0000000), wk = 0.0042735 k( 82) = ( 0.2790698 0.2790698 -0.0000000), wk = 0.0042735 k( 83) = ( 0.2674419 0.2674419 -0.0000000), wk = 0.0042735 k( 84) = ( 0.2558140 0.2558140 -0.0000000), wk = 0.0042735 k( 85) = ( 0.2441860 0.2441860 -0.0000000), wk = 0.0042735 k( 86) = ( 0.2325581 0.2325581 -0.0000000), wk = 0.0042735 k( 87) = ( 0.2209302 0.2209302 -0.0000000), wk = 0.0042735 k( 88) = ( 0.2093023 0.2093023 -0.0000000), wk = 0.0042735 k( 89) = ( 0.1976744 0.1976744 -0.0000000), wk = 0.0042735 k( 90) = ( 0.1860465 0.1860465 -0.0000000), wk = 0.0042735 k( 91) = ( 0.1744186 0.1744186 -0.0000000), wk = 0.0042735 k( 92) = ( 0.1627907 0.1627907 -0.0000000), wk = 0.0042735 k( 93) = ( 0.1511628 0.1511628 -0.0000000), wk = 0.0042735 k( 94) = ( 0.1395349 0.1395349 -0.0000000), wk = 0.0042735 k( 95) = ( 0.1279070 0.1279070 -0.0000000), wk = 0.0042735 k( 96) = ( 0.1162791 0.1162791 -0.0000000), wk = 0.0042735 k( 97) = ( 0.1046512 0.1046512 -0.0000000), wk = 0.0042735 k( 98) = ( 0.0930233 0.0930233 -0.0000000), wk = 0.0042735 k( 99) = ( 0.0813954 0.0813953 -0.0000000), wk = 0.0042735 k( 100) = ( 0.0697674 0.0697674 -0.0000000), wk = 0.0042735 k( 101) = ( 0.0581395 0.0581395 -0.0000000), wk = 0.0042735 k( 102) = ( 0.0465116 0.0465116 -0.0000000), wk = 0.0042735 k( 103) = ( 0.0348837 0.0348837 -0.0000000), wk = 0.0042735 k( 104) = ( 0.0232558 0.0232558 -0.0000000), wk = 0.0042735 k( 105) = ( 0.0116279 0.0116279 -0.0000000), wk = 0.0042735 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042735 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042735 k( 108) = ( 0.0096154 0.0096154 0.0096154), wk = 0.0042735 k( 109) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0042735 k( 110) = ( 0.0288462 0.0288461 0.0288461), wk = 0.0042735 k( 111) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0042735 k( 112) = ( 0.0480769 0.0480769 0.0480769), wk = 0.0042735 k( 113) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0042735 k( 114) = ( 0.0673077 0.0673077 0.0673077), wk = 0.0042735 k( 115) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0042735 k( 116) = ( 0.0865385 0.0865385 0.0865385), wk = 0.0042735 k( 117) = ( 0.0961538 0.0961538 0.0961538), wk = 0.0042735 k( 118) = ( 0.1057692 0.1057692 0.1057692), wk = 0.0042735 k( 119) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0042735 k( 120) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0042735 k( 121) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0042735 k( 122) = ( 0.1442308 0.1442308 0.1442308), wk = 0.0042735 k( 123) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0042735 k( 124) = ( 0.1634615 0.1634615 0.1634615), wk = 0.0042735 k( 125) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0042735 k( 126) = ( 0.1826923 0.1826923 0.1826923), wk = 0.0042735 k( 127) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0042735 k( 128) = ( 0.2019231 0.2019231 0.2019231), wk = 0.0042735 k( 129) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0042735 k( 130) = ( 0.2211539 0.2211538 0.2211538), wk = 0.0042735 k( 131) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0042735 k( 132) = ( 0.2403846 0.2403846 0.2403846), wk = 0.0042735 k( 133) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0042735 k( 134) = ( 0.2596154 0.2596154 0.2596154), wk = 0.0042735 k( 135) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0042735 k( 136) = ( 0.2788462 0.2788461 0.2788461), wk = 0.0042735 k( 137) = ( 0.2884615 0.2884615 0.2884615), wk = 0.0042735 k( 138) = ( 0.2980769 0.2980769 0.2980769), wk = 0.0042735 k( 139) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0042735 k( 140) = ( 0.3173077 0.3173077 0.3173077), wk = 0.0042735 k( 141) = ( 0.3269231 0.3269231 0.3269231), wk = 0.0042735 k( 142) = ( 0.3365385 0.3365385 0.3365385), wk = 0.0042735 k( 143) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0042735 k( 144) = ( 0.3557692 0.3557692 0.3557692), wk = 0.0042735 k( 145) = ( 0.3653846 0.3653846 0.3653846), wk = 0.0042735 k( 146) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0042735 k( 147) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0042735 k( 148) = ( 0.3942308 0.3942308 0.3942308), wk = 0.0042735 k( 149) = ( 0.4038462 0.4038461 0.4038461), wk = 0.0042735 k( 150) = ( 0.4134615 0.4134615 0.4134615), wk = 0.0042735 k( 151) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0042735 k( 152) = ( 0.4326923 0.4326923 0.4326923), wk = 0.0042735 k( 153) = ( 0.4423077 0.4423077 0.4423077), wk = 0.0042735 k( 154) = ( 0.4519231 0.4519231 0.4519231), wk = 0.0042735 k( 155) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0042735 k( 156) = ( 0.4711538 0.4711538 0.4711538), wk = 0.0042735 k( 157) = ( 0.4807692 0.4807692 0.4807692), wk = 0.0042735 k( 158) = ( 0.4903846 0.4903846 0.4903846), wk = 0.0042735 k( 159) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042735 k( 160) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042735 k( 161) = ( 0.4883721 0.5000000 0.4883721), wk = 0.0042735 k( 162) = ( 0.4767442 0.5000000 0.4767442), wk = 0.0042735 k( 163) = ( 0.4651163 0.5000000 0.4651163), wk = 0.0042735 k( 164) = ( 0.4534884 0.5000000 0.4534884), wk = 0.0042735 k( 165) = ( 0.4418605 0.5000000 0.4418605), wk = 0.0042735 k( 166) = ( 0.4302326 0.5000000 0.4302326), wk = 0.0042735 k( 167) = ( 0.4186047 0.5000000 0.4186046), wk = 0.0042735 k( 168) = ( 0.4069767 0.5000000 0.4069767), wk = 0.0042735 k( 169) = ( 0.3953488 0.5000000 0.3953488), wk = 0.0042735 k( 170) = ( 0.3837209 0.5000000 0.3837209), wk = 0.0042735 k( 171) = ( 0.3720930 0.5000000 0.3720930), wk = 0.0042735 k( 172) = ( 0.3604651 0.5000000 0.3604651), wk = 0.0042735 k( 173) = ( 0.3488372 0.5000000 0.3488372), wk = 0.0042735 k( 174) = ( 0.3372093 0.5000000 0.3372093), wk = 0.0042735 k( 175) = ( 0.3255814 0.5000000 0.3255814), wk = 0.0042735 k( 176) = ( 0.3139535 0.5000000 0.3139535), wk = 0.0042735 k( 177) = ( 0.3023256 0.5000000 0.3023256), wk = 0.0042735 k( 178) = ( 0.2906977 0.5000000 0.2906977), wk = 0.0042735 k( 179) = ( 0.2790698 0.5000000 0.2790698), wk = 0.0042735 k( 180) = ( 0.2674419 0.5000000 0.2674419), wk = 0.0042735 k( 181) = ( 0.2558140 0.5000000 0.2558139), wk = 0.0042735 k( 182) = ( 0.2441860 0.5000000 0.2441860), wk = 0.0042735 k( 183) = ( 0.2325581 0.5000000 0.2325581), wk = 0.0042735 k( 184) = ( 0.2209302 0.5000000 0.2209302), wk = 0.0042735 k( 185) = ( 0.2093023 0.5000000 0.2093023), wk = 0.0042735 k( 186) = ( 0.1976744 0.5000000 0.1976744), wk = 0.0042735 k( 187) = ( 0.1860465 0.5000000 0.1860465), wk = 0.0042735 k( 188) = ( 0.1744186 0.5000000 0.1744186), wk = 0.0042735 k( 189) = ( 0.1627907 0.5000000 0.1627907), wk = 0.0042735 k( 190) = ( 0.1511628 0.5000000 0.1511628), wk = 0.0042735 k( 191) = ( 0.1395349 0.5000000 0.1395349), wk = 0.0042735 k( 192) = ( 0.1279070 0.5000000 0.1279070), wk = 0.0042735 k( 193) = ( 0.1162791 0.5000000 0.1162791), wk = 0.0042735 k( 194) = ( 0.1046512 0.5000000 0.1046512), wk = 0.0042735 k( 195) = ( 0.0930233 0.5000000 0.0930233), wk = 0.0042735 k( 196) = ( 0.0813954 0.5000000 0.0813953), wk = 0.0042735 k( 197) = ( 0.0697674 0.5000000 0.0697674), wk = 0.0042735 k( 198) = ( 0.0581395 0.5000000 0.0581395), wk = 0.0042735 k( 199) = ( 0.0465116 0.5000000 0.0465116), wk = 0.0042735 k( 200) = ( 0.0348837 0.5000000 0.0348837), wk = 0.0042735 k( 201) = ( 0.0232558 0.5000000 0.0232558), wk = 0.0042735 k( 202) = ( 0.0116279 0.5000000 0.0116279), wk = 0.0042735 k( 203) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0042735 k( 204) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0042735 k( 205) = ( 0.5000000 0.5000000 0.0166667), wk = 0.0042735 k( 206) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0042735 k( 207) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0042735 k( 208) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0042735 k( 209) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0042735 k( 210) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0042735 k( 211) = ( 0.5000000 0.5000000 0.1166667), wk = 0.0042735 k( 212) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0042735 k( 213) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0042735 k( 214) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0042735 k( 215) = ( 0.5000000 0.5000000 0.1833333), wk = 0.0042735 k( 216) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0042735 k( 217) = ( 0.5000000 0.5000000 0.2166667), wk = 0.0042735 k( 218) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0042735 k( 219) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0042735 k( 220) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0042735 k( 221) = ( 0.5000000 0.5000000 0.2833333), wk = 0.0042735 k( 222) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0042735 k( 223) = ( 0.5000000 0.5000000 0.3166667), wk = 0.0042735 k( 224) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0042735 k( 225) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0042735 k( 226) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0042735 k( 227) = ( 0.5000000 0.5000000 0.3833333), wk = 0.0042735 k( 228) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0042735 k( 229) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0042735 k( 230) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0042735 k( 231) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0042735 k( 232) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0042735 k( 233) = ( 0.5000000 0.5000000 0.4833333), wk = 0.0042735 k( 234) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042735 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042735 k( 2) = ( 0.0000000 0.0166667 0.0000000), wk = 0.0042735 k( 3) = ( 0.0000000 0.0333333 0.0000000), wk = 0.0042735 k( 4) = ( 0.0000000 0.0500000 0.0000000), wk = 0.0042735 k( 5) = ( 0.0000000 0.0666667 0.0000000), wk = 0.0042735 k( 6) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0042735 k( 7) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0042735 k( 8) = ( 0.0000000 0.1166667 0.0000000), wk = 0.0042735 k( 9) = ( 0.0000000 0.1333333 0.0000000), wk = 0.0042735 k( 10) = ( 0.0000000 0.1500000 0.0000000), wk = 0.0042735 k( 11) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0042735 k( 12) = ( 0.0000000 0.1833333 0.0000000), wk = 0.0042735 k( 13) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0042735 k( 14) = ( 0.0000000 0.2166667 0.0000000), wk = 0.0042735 k( 15) = ( 0.0000000 0.2333333 0.0000000), wk = 0.0042735 k( 16) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0042735 k( 17) = ( 0.0000000 0.2666667 0.0000000), wk = 0.0042735 k( 18) = ( 0.0000000 0.2833333 0.0000000), wk = 0.0042735 k( 19) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0042735 k( 20) = ( 0.0000000 0.3166667 0.0000000), wk = 0.0042735 k( 21) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0042735 k( 22) = ( 0.0000000 0.3500000 0.0000000), wk = 0.0042735 k( 23) = ( 0.0000000 0.3666667 0.0000000), wk = 0.0042735 k( 24) = ( 0.0000000 0.3833333 0.0000000), wk = 0.0042735 k( 25) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0042735 k( 26) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0042735 k( 27) = ( 0.0000000 0.4333333 0.0000000), wk = 0.0042735 k( 28) = ( 0.0000000 0.4500000 0.0000000), wk = 0.0042735 k( 29) = ( 0.0000000 0.4666667 0.0000000), wk = 0.0042735 k( 30) = ( 0.0000000 0.4833333 0.0000000), wk = 0.0042735 k( 31) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0042735 k( 32) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0042735 k( 33) = ( 0.0166667 0.5000000 0.0000000), wk = 0.0042735 k( 34) = ( 0.0333333 0.5000000 0.0000000), wk = 0.0042735 k( 35) = ( 0.0500000 0.5000000 0.0000000), wk = 0.0042735 k( 36) = ( 0.0666667 0.5000000 0.0000000), wk = 0.0042735 k( 37) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0042735 k( 38) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0042735 k( 39) = ( 0.1166667 0.5000000 0.0000000), wk = 0.0042735 k( 40) = ( 0.1333333 0.5000000 0.0000000), wk = 0.0042735 k( 41) = ( 0.1500000 0.5000000 0.0000000), wk = 0.0042735 k( 42) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0042735 k( 43) = ( 0.1833333 0.5000000 0.0000000), wk = 0.0042735 k( 44) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0042735 k( 45) = ( 0.2166667 0.5000000 0.0000000), wk = 0.0042735 k( 46) = ( 0.2333333 0.5000000 0.0000000), wk = 0.0042735 k( 47) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0042735 k( 48) = ( 0.2666667 0.5000000 0.0000000), wk = 0.0042735 k( 49) = ( 0.2833333 0.5000000 -0.0000000), wk = 0.0042735 k( 50) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0042735 k( 51) = ( 0.3166667 0.5000000 0.0000000), wk = 0.0042735 k( 52) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0042735 k( 53) = ( 0.3500000 0.5000000 -0.0000000), wk = 0.0042735 k( 54) = ( 0.3666667 0.5000000 0.0000000), wk = 0.0042735 k( 55) = ( 0.3833333 0.5000000 0.0000000), wk = 0.0042735 k( 56) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0042735 k( 57) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0042735 k( 58) = ( 0.4333333 0.5000000 0.0000000), wk = 0.0042735 k( 59) = ( 0.4500000 0.5000000 0.0000000), wk = 0.0042735 k( 60) = ( 0.4666667 0.5000000 0.0000000), wk = 0.0042735 k( 61) = ( 0.4833333 0.5000000 0.0000000), wk = 0.0042735 k( 62) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0042735 k( 63) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0042735 k( 64) = ( 0.4883721 0.4883721 0.0000000), wk = 0.0042735 k( 65) = ( 0.4767442 0.4767442 0.0000000), wk = 0.0042735 k( 66) = ( 0.4651163 0.4651163 0.0000000), wk = 0.0042735 k( 67) = ( 0.4534884 0.4534884 0.0000000), wk = 0.0042735 k( 68) = ( 0.4418605 0.4418605 0.0000000), wk = 0.0042735 k( 69) = ( 0.4302326 0.4302326 0.0000000), wk = 0.0042735 k( 70) = ( 0.4186047 0.4186047 0.0000000), wk = 0.0042735 k( 71) = ( 0.4069767 0.4069767 0.0000000), wk = 0.0042735 k( 72) = ( 0.3953488 0.3953488 0.0000000), wk = 0.0042735 k( 73) = ( 0.3837209 0.3837209 0.0000000), wk = 0.0042735 k( 74) = ( 0.3720930 0.3720930 0.0000000), wk = 0.0042735 k( 75) = ( 0.3604651 0.3604651 0.0000000), wk = 0.0042735 k( 76) = ( 0.3488372 0.3488372 0.0000000), wk = 0.0042735 k( 77) = ( 0.3372093 0.3372093 0.0000000), wk = 0.0042735 k( 78) = ( 0.3255814 0.3255814 0.0000000), wk = 0.0042735 k( 79) = ( 0.3139535 0.3139535 0.0000000), wk = 0.0042735 k( 80) = ( 0.3023256 0.3023256 0.0000000), wk = 0.0042735 k( 81) = ( 0.2906977 0.2906977 0.0000000), wk = 0.0042735 k( 82) = ( 0.2790698 0.2790698 0.0000000), wk = 0.0042735 k( 83) = ( 0.2674419 0.2674419 0.0000000), wk = 0.0042735 k( 84) = ( 0.2558140 0.2558140 0.0000000), wk = 0.0042735 k( 85) = ( 0.2441860 0.2441860 0.0000000), wk = 0.0042735 k( 86) = ( 0.2325581 0.2325581 0.0000000), wk = 0.0042735 k( 87) = ( 0.2209302 0.2209302 0.0000000), wk = 0.0042735 k( 88) = ( 0.2093023 0.2093023 0.0000000), wk = 0.0042735 k( 89) = ( 0.1976744 0.1976744 0.0000000), wk = 0.0042735 k( 90) = ( 0.1860465 0.1860465 0.0000000), wk = 0.0042735 k( 91) = ( 0.1744186 0.1744186 0.0000000), wk = 0.0042735 k( 92) = ( 0.1627907 0.1627907 0.0000000), wk = 0.0042735 k( 93) = ( 0.1511628 0.1511628 0.0000000), wk = 0.0042735 k( 94) = ( 0.1395349 0.1395349 -0.0000000), wk = 0.0042735 k( 95) = ( 0.1279070 0.1279070 0.0000000), wk = 0.0042735 k( 96) = ( 0.1162791 0.1162791 0.0000000), wk = 0.0042735 k( 97) = ( 0.1046512 0.1046512 0.0000000), wk = 0.0042735 k( 98) = ( 0.0930233 0.0930233 0.0000000), wk = 0.0042735 k( 99) = ( 0.0813954 0.0813954 0.0000000), wk = 0.0042735 k( 100) = ( 0.0697674 0.0697674 -0.0000000), wk = 0.0042735 k( 101) = ( 0.0581395 0.0581395 0.0000000), wk = 0.0042735 k( 102) = ( 0.0465116 0.0465116 0.0000000), wk = 0.0042735 k( 103) = ( 0.0348837 0.0348837 -0.0000000), wk = 0.0042735 k( 104) = ( 0.0232558 0.0232558 0.0000000), wk = 0.0042735 k( 105) = ( 0.0116279 0.0116279 0.0000000), wk = 0.0042735 k( 106) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042735 k( 107) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0042735 k( 108) = ( 0.0096154 0.0096154 0.0096154), wk = 0.0042735 k( 109) = ( 0.0192308 0.0192308 0.0192308), wk = 0.0042735 k( 110) = ( 0.0288462 0.0288462 0.0288462), wk = 0.0042735 k( 111) = ( 0.0384615 0.0384615 0.0384615), wk = 0.0042735 k( 112) = ( 0.0480769 0.0480769 0.0480769), wk = 0.0042735 k( 113) = ( 0.0576923 0.0576923 0.0576923), wk = 0.0042735 k( 114) = ( 0.0673077 0.0673077 0.0673077), wk = 0.0042735 k( 115) = ( 0.0769231 0.0769231 0.0769231), wk = 0.0042735 k( 116) = ( 0.0865385 0.0865385 0.0865385), wk = 0.0042735 k( 117) = ( 0.0961538 0.0961538 0.0961538), wk = 0.0042735 k( 118) = ( 0.1057692 0.1057692 0.1057692), wk = 0.0042735 k( 119) = ( 0.1153846 0.1153846 0.1153846), wk = 0.0042735 k( 120) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0042735 k( 121) = ( 0.1346154 0.1346154 0.1346154), wk = 0.0042735 k( 122) = ( 0.1442308 0.1442308 0.1442308), wk = 0.0042735 k( 123) = ( 0.1538461 0.1538461 0.1538461), wk = 0.0042735 k( 124) = ( 0.1634615 0.1634615 0.1634615), wk = 0.0042735 k( 125) = ( 0.1730769 0.1730769 0.1730769), wk = 0.0042735 k( 126) = ( 0.1826923 0.1826923 0.1826923), wk = 0.0042735 k( 127) = ( 0.1923077 0.1923077 0.1923077), wk = 0.0042735 k( 128) = ( 0.2019231 0.2019231 0.2019231), wk = 0.0042735 k( 129) = ( 0.2115385 0.2115385 0.2115385), wk = 0.0042735 k( 130) = ( 0.2211539 0.2211539 0.2211539), wk = 0.0042735 k( 131) = ( 0.2307692 0.2307692 0.2307692), wk = 0.0042735 k( 132) = ( 0.2403846 0.2403846 0.2403846), wk = 0.0042735 k( 133) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0042735 k( 134) = ( 0.2596154 0.2596154 0.2596154), wk = 0.0042735 k( 135) = ( 0.2692308 0.2692308 0.2692308), wk = 0.0042735 k( 136) = ( 0.2788462 0.2788462 0.2788462), wk = 0.0042735 k( 137) = ( 0.2884615 0.2884615 0.2884615), wk = 0.0042735 k( 138) = ( 0.2980769 0.2980769 0.2980769), wk = 0.0042735 k( 139) = ( 0.3076923 0.3076923 0.3076923), wk = 0.0042735 k( 140) = ( 0.3173077 0.3173077 0.3173077), wk = 0.0042735 k( 141) = ( 0.3269231 0.3269231 0.3269231), wk = 0.0042735 k( 142) = ( 0.3365385 0.3365385 0.3365385), wk = 0.0042735 k( 143) = ( 0.3461538 0.3461538 0.3461538), wk = 0.0042735 k( 144) = ( 0.3557692 0.3557692 0.3557692), wk = 0.0042735 k( 145) = ( 0.3653846 0.3653846 0.3653846), wk = 0.0042735 k( 146) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0042735 k( 147) = ( 0.3846154 0.3846154 0.3846154), wk = 0.0042735 k( 148) = ( 0.3942308 0.3942308 0.3942308), wk = 0.0042735 k( 149) = ( 0.4038462 0.4038462 0.4038462), wk = 0.0042735 k( 150) = ( 0.4134615 0.4134615 0.4134615), wk = 0.0042735 k( 151) = ( 0.4230769 0.4230769 0.4230769), wk = 0.0042735 k( 152) = ( 0.4326923 0.4326923 0.4326923), wk = 0.0042735 k( 153) = ( 0.4423077 0.4423077 0.4423077), wk = 0.0042735 k( 154) = ( 0.4519231 0.4519231 0.4519231), wk = 0.0042735 k( 155) = ( 0.4615385 0.4615385 0.4615385), wk = 0.0042735 k( 156) = ( 0.4711538 0.4711538 0.4711538), wk = 0.0042735 k( 157) = ( 0.4807692 0.4807692 0.4807692), wk = 0.0042735 k( 158) = ( 0.4903846 0.4903846 0.4903846), wk = 0.0042735 k( 159) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042735 k( 160) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042735 k( 161) = ( 0.4883721 0.5000000 0.4883721), wk = 0.0042735 k( 162) = ( 0.4767442 0.5000000 0.4767442), wk = 0.0042735 k( 163) = ( 0.4651163 0.5000000 0.4651163), wk = 0.0042735 k( 164) = ( 0.4534884 0.5000000 0.4534884), wk = 0.0042735 k( 165) = ( 0.4418605 0.5000000 0.4418605), wk = 0.0042735 k( 166) = ( 0.4302326 0.5000000 0.4302326), wk = 0.0042735 k( 167) = ( 0.4186047 0.5000000 0.4186047), wk = 0.0042735 k( 168) = ( 0.4069767 0.5000000 0.4069767), wk = 0.0042735 k( 169) = ( 0.3953488 0.5000000 0.3953488), wk = 0.0042735 k( 170) = ( 0.3837209 0.5000000 0.3837209), wk = 0.0042735 k( 171) = ( 0.3720930 0.5000000 0.3720930), wk = 0.0042735 k( 172) = ( 0.3604651 0.5000000 0.3604651), wk = 0.0042735 k( 173) = ( 0.3488372 0.5000000 0.3488372), wk = 0.0042735 k( 174) = ( 0.3372093 0.5000000 0.3372093), wk = 0.0042735 k( 175) = ( 0.3255814 0.5000000 0.3255814), wk = 0.0042735 k( 176) = ( 0.3139535 0.5000000 0.3139535), wk = 0.0042735 k( 177) = ( 0.3023256 0.5000000 0.3023256), wk = 0.0042735 k( 178) = ( 0.2906977 0.5000000 0.2906977), wk = 0.0042735 k( 179) = ( 0.2790698 0.5000000 0.2790698), wk = 0.0042735 k( 180) = ( 0.2674419 0.5000000 0.2674419), wk = 0.0042735 k( 181) = ( 0.2558140 0.5000000 0.2558140), wk = 0.0042735 k( 182) = ( 0.2441860 0.5000000 0.2441860), wk = 0.0042735 k( 183) = ( 0.2325581 0.5000000 0.2325581), wk = 0.0042735 k( 184) = ( 0.2209302 0.5000000 0.2209302), wk = 0.0042735 k( 185) = ( 0.2093023 0.5000000 0.2093023), wk = 0.0042735 k( 186) = ( 0.1976744 0.5000000 0.1976744), wk = 0.0042735 k( 187) = ( 0.1860465 0.5000000 0.1860465), wk = 0.0042735 k( 188) = ( 0.1744186 0.5000000 0.1744186), wk = 0.0042735 k( 189) = ( 0.1627907 0.5000000 0.1627907), wk = 0.0042735 k( 190) = ( 0.1511628 0.5000000 0.1511628), wk = 0.0042735 k( 191) = ( 0.1395349 0.5000000 0.1395349), wk = 0.0042735 k( 192) = ( 0.1279070 0.5000000 0.1279070), wk = 0.0042735 k( 193) = ( 0.1162791 0.5000000 0.1162791), wk = 0.0042735 k( 194) = ( 0.1046512 0.5000000 0.1046512), wk = 0.0042735 k( 195) = ( 0.0930233 0.5000000 0.0930233), wk = 0.0042735 k( 196) = ( 0.0813954 0.5000000 0.0813954), wk = 0.0042735 k( 197) = ( 0.0697674 0.5000000 0.0697674), wk = 0.0042735 k( 198) = ( 0.0581395 0.5000000 0.0581395), wk = 0.0042735 k( 199) = ( 0.0465116 0.5000000 0.0465116), wk = 0.0042735 k( 200) = ( 0.0348837 0.5000000 0.0348837), wk = 0.0042735 k( 201) = ( 0.0232558 0.5000000 0.0232558), wk = 0.0042735 k( 202) = ( 0.0116279 0.5000000 0.0116279), wk = 0.0042735 k( 203) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0042735 k( 204) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0042735 k( 205) = ( 0.5000000 0.5000000 0.0166667), wk = 0.0042735 k( 206) = ( 0.5000000 0.5000000 0.0333333), wk = 0.0042735 k( 207) = ( 0.5000000 0.5000000 0.0500000), wk = 0.0042735 k( 208) = ( 0.5000000 0.5000000 0.0666667), wk = 0.0042735 k( 209) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0042735 k( 210) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0042735 k( 211) = ( 0.5000000 0.5000000 0.1166667), wk = 0.0042735 k( 212) = ( 0.5000000 0.5000000 0.1333333), wk = 0.0042735 k( 213) = ( 0.5000000 0.5000000 0.1500000), wk = 0.0042735 k( 214) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0042735 k( 215) = ( 0.5000000 0.5000000 0.1833333), wk = 0.0042735 k( 216) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0042735 k( 217) = ( 0.5000000 0.5000000 0.2166667), wk = 0.0042735 k( 218) = ( 0.5000000 0.5000000 0.2333333), wk = 0.0042735 k( 219) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0042735 k( 220) = ( 0.5000000 0.5000000 0.2666667), wk = 0.0042735 k( 221) = ( 0.5000000 0.5000000 0.2833333), wk = 0.0042735 k( 222) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0042735 k( 223) = ( 0.5000000 0.5000000 0.3166667), wk = 0.0042735 k( 224) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0042735 k( 225) = ( 0.5000000 0.5000000 0.3500000), wk = 0.0042735 k( 226) = ( 0.5000000 0.5000000 0.3666667), wk = 0.0042735 k( 227) = ( 0.5000000 0.5000000 0.3833333), wk = 0.0042735 k( 228) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0042735 k( 229) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0042735 k( 230) = ( 0.5000000 0.5000000 0.4333333), wk = 0.0042735 k( 231) = ( 0.5000000 0.5000000 0.4500000), wk = 0.0042735 k( 232) = ( 0.5000000 0.5000000 0.4666667), wk = 0.0042735 k( 233) = ( 0.5000000 0.5000000 0.4833333), wk = 0.0042735 k( 234) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0042735 Dense grid: 61349 G-vectors FFT dimensions: ( 50, 50, 50) Smooth grid: 41923 G-vectors FFT dimensions: ( 45, 45, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 174, 74) NL pseudopotentials 0.33 Mb ( 87, 252) Each V/rho on FFT grid 0.04 Mb ( 2500) Each G-vector array 0.01 Mb ( 962) G-vector shells 0.00 Mb ( 277) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.79 Mb ( 174, 296) Each subspace H/S matrix 1.34 Mb ( 296, 296) Each matrix 0.57 Mb ( 252, 2, 74) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./Cu3AsS4.save/charge-density.dat Starting wfc are 94 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 5.8 secs Computing kpt #: 3 total cpu time spent up to now is 7.3 secs Computing kpt #: 4 total cpu time spent up to now is 8.7 secs Computing kpt #: 5 total cpu time spent up to now is 10.2 secs Computing kpt #: 6 total cpu time spent up to now is 11.7 secs Computing kpt #: 7 total cpu time spent up to now is 13.2 secs Computing kpt #: 8 total cpu time spent up to now is 14.6 secs Computing kpt #: 9 total cpu time spent up to now is 16.1 secs Computing kpt #: 10 total cpu time spent up to now is 17.5 secs Computing kpt #: 11 total cpu time spent up to now is 19.0 secs Computing kpt #: 12 total cpu time spent up to now is 20.5 secs Computing kpt #: 13 total cpu time spent up to now is 22.0 secs Computing kpt #: 14 total cpu time spent up to now is 23.5 secs Computing kpt #: 15 total cpu time spent up to now is 25.0 secs Computing kpt #: 16 total cpu time spent up to now is 26.5 secs Computing kpt #: 17 total cpu time spent up to now is 28.0 secs Computing kpt #: 18 total cpu time spent up to now is 29.5 secs Computing kpt #: 19 total cpu time spent up to now is 31.1 secs Computing kpt #: 20 total cpu time spent up to now is 32.7 secs Computing kpt #: 21 total cpu time spent up to now is 34.2 secs Computing kpt #: 22 total cpu time spent up to now is 35.8 secs Computing kpt #: 23 total cpu time spent up to now is 37.4 secs Computing kpt #: 24 total cpu time spent up to now is 41.0 secs Computing kpt #: 25 total cpu time spent up to now is 42.6 secs Computing kpt #: 26 total cpu time spent up to now is 44.2 secs Computing kpt #: 27 total cpu time spent up to now is 45.7 secs Computing kpt #: 28 total cpu time spent up to now is 47.3 secs Computing kpt #: 29 total cpu time spent up to now is 48.9 secs Computing kpt #: 30 total cpu time spent up to now is 50.4 secs Computing kpt #: 31 total cpu time spent up to now is 51.9 secs Computing kpt #: 32 total cpu time spent up to now is 53.3 secs Computing kpt #: 33 total cpu time spent up to now is 54.8 secs Computing kpt #: 34 total cpu time spent up to now is 56.3 secs Computing kpt #: 35 total cpu time spent up to now is 57.9 secs Computing kpt #: 36 total cpu time spent up to now is 59.4 secs Computing kpt #: 37 total cpu time spent up to now is 61.3 secs Computing kpt #: 38 total cpu time spent up to now is 63.2 secs Computing kpt #: 39 total cpu time spent up to now is 65.0 secs Computing kpt #: 40 total cpu time spent up to now is 66.7 secs Computing kpt #: 41 total cpu time spent up to now is 68.5 secs Computing kpt #: 42 total cpu time spent up to now is 70.2 secs Computing kpt #: 43 total cpu time spent up to now is 72.0 secs Computing kpt #: 44 total cpu time spent up to now is 73.8 secs Computing kpt #: 45 total cpu time spent up to now is 75.5 secs Computing kpt #: 46 total cpu time spent up to now is 77.4 secs Computing kpt #: 47 total cpu time spent up to now is 79.4 secs Computing kpt #: 48 total cpu time spent up to now is 81.0 secs Computing kpt #: 49 total cpu time spent up to now is 82.7 secs Computing kpt #: 50 total cpu time spent up to now is 84.4 secs Computing kpt #: 51 total cpu time spent up to now is 86.0 secs Computing kpt #: 52 total cpu time spent up to now is 87.7 secs Computing kpt #: 53 total cpu time spent up to now is 89.4 secs Computing kpt #: 54 total cpu time spent up to now is 91.0 secs Computing kpt #: 55 total cpu time spent up to now is 92.7 secs Computing kpt #: 56 total cpu time spent up to now is 94.3 secs Computing kpt #: 57 total cpu time spent up to now is 96.0 secs Computing kpt #: 58 total cpu time spent up to now is 97.7 secs Computing kpt #: 59 total cpu time spent up to now is 99.6 secs Computing kpt #: 60 total cpu time spent up to now is 101.5 secs Computing kpt #: 61 total cpu time spent up to now is 103.4 secs Computing kpt #: 62 total cpu time spent up to now is 105.2 secs Computing kpt #: 63 total cpu time spent up to now is 107.0 secs Computing kpt #: 64 total cpu time spent up to now is 108.9 secs Computing kpt #: 65 total cpu time spent up to now is 111.4 secs Computing kpt #: 66 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 114.8 secs Computing kpt #: 67 total cpu time spent up to now is 117.2 secs Computing kpt #: 68 total cpu time spent up to now is 119.1 secs Computing kpt #: 69 total cpu time spent up to now is 121.0 secs Computing kpt #: 70 total cpu time spent up to now is 123.0 secs Computing kpt #: 71 total cpu time spent up to now is 125.0 secs Computing kpt #: 72 total cpu time spent up to now is 126.9 secs Computing kpt #: 73 total cpu time spent up to now is 128.9 secs Computing kpt #: 74 total cpu time spent up to now is 130.8 secs Computing kpt #: 75 total cpu time spent up to now is 132.7 secs Computing kpt #: 76 total cpu time spent up to now is 134.6 secs Computing kpt #: 77 total cpu time spent up to now is 136.5 secs Computing kpt #: 78 total cpu time spent up to now is 138.5 secs Computing kpt #: 79 total cpu time spent up to now is 140.4 secs Computing kpt #: 80 total cpu time spent up to now is 142.3 secs Computing kpt #: 81 total cpu time spent up to now is 143.9 secs Computing kpt #: 82 total cpu time spent up to now is 145.5 secs Computing kpt #: 83 total cpu time spent up to now is 147.2 secs Computing kpt #: 84 total cpu time spent up to now is 148.7 secs Computing kpt #: 85 total cpu time spent up to now is 150.3 secs Computing kpt #: 86 total cpu time spent up to now is 151.9 secs Computing kpt #: 87 total cpu time spent up to now is 153.4 secs Computing kpt #: 88 total cpu time spent up to now is 155.0 secs Computing kpt #: 89 total cpu time spent up to now is 156.5 secs Computing kpt #: 90 total cpu time spent up to now is 158.0 secs Computing kpt #: 91 total cpu time spent up to now is 159.6 secs Computing kpt #: 92 total cpu time spent up to now is 161.1 secs Computing kpt #: 93 total cpu time spent up to now is 162.6 secs Computing kpt #: 94 total cpu time spent up to now is 164.2 secs Computing kpt #: 95 total cpu time spent up to now is 165.7 secs Computing kpt #: 96 total cpu time spent up to now is 167.3 secs Computing kpt #: 97 total cpu time spent up to now is 168.8 secs Computing kpt #: 98 total cpu time spent up to now is 170.4 secs Computing kpt #: 99 total cpu time spent up to now is 171.9 secs Computing kpt #: 100 total cpu time spent up to now is 173.5 secs Computing kpt #: 101 total cpu time spent up to now is 175.0 secs Computing kpt #: 102 total cpu time spent up to now is 176.6 secs Computing kpt #: 103 total cpu time spent up to now is 178.2 secs Computing kpt #: 104 total cpu time spent up to now is 179.7 secs Computing kpt #: 105 total cpu time spent up to now is 181.3 secs Computing kpt #: 106 total cpu time spent up to now is 182.7 secs Computing kpt #: 107 total cpu time spent up to now is 184.1 secs Computing kpt #: 108 total cpu time spent up to now is 185.7 secs Computing kpt #: 109 total cpu time spent up to now is 187.5 secs Computing kpt #: 110 total cpu time spent up to now is 189.1 secs Computing kpt #: 111 total cpu time spent up to now is 190.7 secs Computing kpt #: 112 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 193.7 secs Computing kpt #: 113 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 196.9 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 200.1 secs Computing kpt #: 115 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 203.2 secs Computing kpt #: 116 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 206.4 secs Computing kpt #: 117 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 209.4 secs Computing kpt #: 118 total cpu time spent up to now is 211.0 secs Computing kpt #: 119 total cpu time spent up to now is 212.9 secs Computing kpt #: 120 total cpu time spent up to now is 214.5 secs Computing kpt #: 121 total cpu time spent up to now is 216.2 secs Computing kpt #: 122 total cpu time spent up to now is 217.8 secs Computing kpt #: 123 total cpu time spent up to now is 219.4 secs Computing kpt #: 124 total cpu time spent up to now is 221.1 secs Computing kpt #: 125 total cpu time spent up to now is 222.8 secs Computing kpt #: 126 total cpu time spent up to now is 224.4 secs Computing kpt #: 127 total cpu time spent up to now is 226.2 secs Computing kpt #: 128 total cpu time spent up to now is 227.8 secs Computing kpt #: 129 total cpu time spent up to now is 229.6 secs Computing kpt #: 130 total cpu time spent up to now is 231.4 secs Computing kpt #: 131 total cpu time spent up to now is 233.2 secs Computing kpt #: 132 total cpu time spent up to now is 235.0 secs Computing kpt #: 133 total cpu time spent up to now is 236.6 secs Computing kpt #: 134 total cpu time spent up to now is 238.3 secs Computing kpt #: 135 total cpu time spent up to now is 239.9 secs Computing kpt #: 136 total cpu time spent up to now is 241.6 secs Computing kpt #: 137 total cpu time spent up to now is 243.2 secs Computing kpt #: 138 total cpu time spent up to now is 244.9 secs Computing kpt #: 139 total cpu time spent up to now is 246.5 secs Computing kpt #: 140 total cpu time spent up to now is 248.1 secs Computing kpt #: 141 total cpu time spent up to now is 249.8 secs Computing kpt #: 142 total cpu time spent up to now is 251.4 secs Computing kpt #: 143 total cpu time spent up to now is 253.0 secs Computing kpt #: 144 total cpu time spent up to now is 254.6 secs Computing kpt #: 145 total cpu time spent up to now is 256.2 secs Computing kpt #: 146 total cpu time spent up to now is 257.8 secs Computing kpt #: 147 total cpu time spent up to now is 259.3 secs Computing kpt #: 148 total cpu time spent up to now is 260.9 secs Computing kpt #: 149 total cpu time spent up to now is 262.4 secs Computing kpt #: 150 total cpu time spent up to now is 264.0 secs Computing kpt #: 151 total cpu time spent up to now is 265.5 secs Computing kpt #: 152 total cpu time spent up to now is 267.0 secs Computing kpt #: 153 total cpu time spent up to now is 268.6 secs Computing kpt #: 154 total cpu time spent up to now is 270.1 secs Computing kpt #: 155 total cpu time spent up to now is 271.6 secs Computing kpt #: 156 total cpu time spent up to now is 273.2 secs Computing kpt #: 157 total cpu time spent up to now is 274.7 secs Computing kpt #: 158 total cpu time spent up to now is 276.2 secs Computing kpt #: 159 total cpu time spent up to now is 277.6 secs Computing kpt #: 160 total cpu time spent up to now is 279.0 secs Computing kpt #: 161 total cpu time spent up to now is 280.6 secs Computing kpt #: 162 total cpu time spent up to now is 282.2 secs Computing kpt #: 163 total cpu time spent up to now is 283.7 secs Computing kpt #: 164 total cpu time spent up to now is 285.3 secs Computing kpt #: 165 total cpu time spent up to now is 286.8 secs Computing kpt #: 166 total cpu time spent up to now is 288.3 secs Computing kpt #: 167 total cpu time spent up to now is 289.8 secs Computing kpt #: 168 total cpu time spent up to now is 291.3 secs Computing kpt #: 169 total cpu time spent up to now is 292.8 secs Computing kpt #: 170 total cpu time spent up to now is 294.2 secs Computing kpt #: 171 total cpu time spent up to now is 295.7 secs Computing kpt #: 172 total cpu time spent up to now is 297.2 secs Computing kpt #: 173 total cpu time spent up to now is 298.6 secs Computing kpt #: 174 total cpu time spent up to now is 300.1 secs Computing kpt #: 175 total cpu time spent up to now is 301.5 secs Computing kpt #: 176 total cpu time spent up to now is 303.0 secs Computing kpt #: 177 total cpu time spent up to now is 304.5 secs Computing kpt #: 178 total cpu time spent up to now is 305.9 secs Computing kpt #: 179 total cpu time spent up to now is 307.4 secs Computing kpt #: 180 total cpu time spent up to now is 308.9 secs Computing kpt #: 181 total cpu time spent up to now is 310.3 secs Computing kpt #: 182 total cpu time spent up to now is 311.9 secs Computing kpt #: 183 total cpu time spent up to now is 313.4 secs Computing kpt #: 184 total cpu time spent up to now is 315.0 secs Computing kpt #: 185 total cpu time spent up to now is 316.5 secs Computing kpt #: 186 total cpu time spent up to now is 318.1 secs Computing kpt #: 187 total cpu time spent up to now is 319.6 secs Computing kpt #: 188 total cpu time spent up to now is 321.3 secs Computing kpt #: 189 total cpu time spent up to now is 322.9 secs Computing kpt #: 190 total cpu time spent up to now is 324.6 secs Computing kpt #: 191 total cpu time spent up to now is 326.3 secs Computing kpt #: 192 total cpu time spent up to now is 328.1 secs Computing kpt #: 193 total cpu time spent up to now is 329.8 secs Computing kpt #: 194 total cpu time spent up to now is 331.7 secs Computing kpt #: 195 total cpu time spent up to now is 333.5 secs Computing kpt #: 196 total cpu time spent up to now is 335.5 secs Computing kpt #: 197 total cpu time spent up to now is 337.4 secs Computing kpt #: 198 total cpu time spent up to now is 339.7 secs Computing kpt #: 199 total cpu time spent up to now is 344.0 secs Computing kpt #: 200 total cpu time spent up to now is 345.6 secs Computing kpt #: 201 total cpu time spent up to now is 347.1 secs Computing kpt #: 202 total cpu time spent up to now is 348.6 secs Computing kpt #: 203 total cpu time spent up to now is 350.1 secs Computing kpt #: 204 total cpu time spent up to now is 351.9 secs Computing kpt #: 205 total cpu time spent up to now is 353.7 secs Computing kpt #: 206 total cpu time spent up to now is 355.5 secs Computing kpt #: 207 total cpu time spent up to now is 357.2 secs Computing kpt #: 208 total cpu time spent up to now is 359.0 secs Computing kpt #: 209 total cpu time spent up to now is 361.4 secs Computing kpt #: 210 total cpu time spent up to now is 363.2 secs Computing kpt #: 211 total cpu time spent up to now is 364.7 secs Computing kpt #: 212 total cpu time spent up to now is 366.2 secs Computing kpt #: 213 total cpu time spent up to now is 367.6 secs Computing kpt #: 214 total cpu time spent up to now is 369.0 secs Computing kpt #: 215 total cpu time spent up to now is 370.4 secs Computing kpt #: 216 total cpu time spent up to now is 371.8 secs Computing kpt #: 217 total cpu time spent up to now is 373.3 secs Computing kpt #: 218 total cpu time spent up to now is 374.7 secs Computing kpt #: 219 total cpu time spent up to now is 376.1 secs Computing kpt #: 220 total cpu time spent up to now is 377.5 secs Computing kpt #: 221 total cpu time spent up to now is 378.9 secs Computing kpt #: 222 total cpu time spent up to now is 380.4 secs Computing kpt #: 223 total cpu time spent up to now is 381.8 secs Computing kpt #: 224 total cpu time spent up to now is 383.2 secs Computing kpt #: 225 total cpu time spent up to now is 384.7 secs Computing kpt #: 226 total cpu time spent up to now is 386.1 secs Computing kpt #: 227 total cpu time spent up to now is 387.6 secs Computing kpt #: 228 total cpu time spent up to now is 389.1 secs Computing kpt #: 229 total cpu time spent up to now is 390.6 secs Computing kpt #: 230 total cpu time spent up to now is 392.1 secs Computing kpt #: 231 total cpu time spent up to now is 393.6 secs Computing kpt #: 232 total cpu time spent up to now is 395.1 secs Computing kpt #: 233 total cpu time spent up to now is 396.6 secs Computing kpt #: 234 total cpu time spent up to now is 398.1 secs ethr = 1.61E-11, avg # of iterations = 36.0 total cpu time spent up to now is 398.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5257 PWs) bands (ev): -8.4056 -8.4056 -6.0241 -6.0241 -6.0138 -6.0138 -6.0138 -6.0138 -3.5289 -3.5289 1.4430 1.4430 1.4430 1.4430 1.8114 1.8114 1.9033 1.9033 1.9033 1.9033 3.2105 3.2105 3.2105 3.2105 3.2507 3.2507 3.4286 3.4286 3.4674 3.4674 3.4674 3.4674 3.9216 3.9216 4.9692 4.9692 4.9692 4.9692 5.0224 5.0224 5.1155 5.1155 5.1155 5.1155 5.2743 5.2743 5.2743 5.2743 5.2985 5.2985 5.6413 5.6413 5.7195 5.7195 5.7195 5.7195 7.1881 7.1881 7.4044 7.4044 7.4044 7.4044 7.4248 7.4248 8.7770 8.7770 8.8794 8.8794 8.8794 8.8794 10.3034 10.3034 11.1456 11.1456 k = 0.0000 0.0167-0.0000 ( 5225 PWs) bands (ev): -8.4050 -8.4050 -6.0248 -6.0248 -6.0149 -6.0149 -6.0137 -6.0137 -3.5272 -3.5272 1.4438 1.4438 1.4440 1.4440 1.8105 1.8105 1.9015 1.9015 1.9032 1.9032 3.2096 3.2096 3.2111 3.2111 3.2505 3.2505 3.4281 3.4281 3.4660 3.4660 3.4676 3.4676 3.9240 3.9240 4.9664 4.9664 4.9712 4.9712 5.0215 5.0215 5.1020 5.1020 5.1286 5.1286 5.2626 5.2626 5.2854 5.2854 5.3008 5.3008 5.6413 5.6413 5.7154 5.7154 5.7233 5.7233 7.1769 7.1769 7.4025 7.4025 7.4096 7.4096 7.4289 7.4289 8.7793 8.7793 8.8803 8.8803 8.8833 8.8833 10.3074 10.3074 11.1474 11.1474 k = 0.0000 0.0333-0.0000 ( 5225 PWs) bands (ev): -8.4032 -8.4032 -6.0278 -6.0278 -6.0173 -6.0173 -6.0136 -6.0136 -3.5224 -3.5224 1.4465 1.4465 1.4472 1.4472 1.8076 1.8076 1.8969 1.8969 1.9022 1.9022 3.2066 3.2066 3.2116 3.2116 3.2495 3.2495 3.4263 3.4263 3.4626 3.4626 3.4674 3.4674 3.9310 3.9310 4.9620 4.9620 4.9724 4.9724 5.0188 5.0188 5.0895 5.0895 5.1406 5.1406 5.2512 5.2512 5.2909 5.2909 5.3115 5.3115 5.6410 5.6410 5.7111 5.7111 5.7268 5.7268 7.1481 7.1481 7.3968 7.3968 7.4098 7.4098 7.4513 7.4513 8.7856 8.7856 8.8839 8.8839 8.8945 8.8945 10.3193 10.3193 11.1529 11.1529 k = 0.0000 0.0500-0.0000 ( 5217 PWs) bands (ev): -8.4001 -8.4001 -6.0353 -6.0353 -6.0188 -6.0188 -6.0133 -6.0133 -3.5144 -3.5144 1.4508 1.4508 1.4524 1.4524 1.8025 1.8025 1.8897 1.8897 1.9003 1.9003 3.2013 3.2013 3.2123 3.2123 3.2483 3.2483 3.4227 3.4227 3.4578 3.4578 3.4670 3.4670 3.9424 3.9424 4.9558 4.9558 4.9732 4.9732 5.0144 5.0144 5.0790 5.0790 5.1509 5.1509 5.2398 5.2398 5.2920 5.2920 5.3291 5.3291 5.6404 5.6404 5.7067 5.7067 5.7301 5.7301 7.1093 7.1093 7.3873 7.3873 7.4028 7.4028 7.4866 7.4866 8.7946 8.7946 8.8915 8.8915 8.9132 8.9132 10.3390 10.3390 11.1620 11.1620 k = 0.0000 0.0667-0.0000 ( 5229 PWs) bands (ev): -8.3959 -8.3959 -6.0471 -6.0471 -6.0193 -6.0193 -6.0130 -6.0130 -3.5034 -3.5034 1.4567 1.4567 1.4598 1.4598 1.7949 1.7949 1.8806 1.8806 1.8977 1.8977 3.1932 3.1932 3.2133 3.2133 3.2474 3.2474 3.4163 3.4163 3.4523 3.4523 3.4663 3.4663 3.9582 3.9582 4.9472 4.9472 4.9733 4.9733 5.0090 5.0090 5.0710 5.0710 5.1593 5.1593 5.2278 5.2278 5.2921 5.2921 5.3500 5.3500 5.6394 5.6394 5.7024 5.7024 5.7334 5.7334 7.0655 7.0655 7.3741 7.3741 7.3917 7.3917 7.5269 7.5269 8.8038 8.8038 8.9056 8.9056 8.9393 8.9393 10.3660 10.3660 11.1749 11.1749 k = 0.0000 0.0833-0.0000 ( 5237 PWs) bands (ev): -8.3905 -8.3905 -6.0626 -6.0626 -6.0194 -6.0194 -6.0125 -6.0125 -3.4895 -3.4895 1.4640 1.4640 1.4692 1.4692 1.7845 1.7845 1.8703 1.8703 1.8944 1.8944 3.1820 3.1820 3.2146 3.2146 3.2471 3.2471 3.4061 3.4061 3.4473 3.4473 3.4656 3.4656 3.9781 3.9781 4.9360 4.9360 4.9732 4.9732 5.0035 5.0035 5.0653 5.0653 5.1663 5.1663 5.2152 5.2152 5.2919 5.2919 5.3728 5.3728 5.6378 5.6378 5.6988 5.6988 5.7368 5.7368 7.0190 7.0190 7.3570 7.3570 7.3768 7.3768 7.5693 7.5693 8.8109 8.8109 8.9284 8.9284 8.9726 8.9726 10.4001 10.4001 11.1914 11.1914 k = 0.0000 0.1000-0.0000 ( 5233 PWs) bands (ev): -8.3839 -8.3839 -6.0814 -6.0814 -6.0192 -6.0192 -6.0120 -6.0120 -3.4730 -3.4730 1.4724 1.4724 1.4807 1.4807 1.7711 1.7711 1.8596 1.8596 1.8905 1.8905 3.1678 3.1678 3.2161 3.2161 3.2474 3.2474 3.3915 3.3915 3.4433 3.4433 3.4646 3.4646 4.0017 4.0017 4.9229 4.9229 4.9727 4.9727 4.9985 4.9985 5.0613 5.0613 5.1719 5.1719 5.2019 5.2019 5.2917 5.2917 5.3968 5.3968 5.6360 5.6360 5.6961 5.6961 5.7406 5.7406 6.9712 6.9712 7.3364 7.3364 7.3585 7.3585 7.6125 7.6125 8.8150 8.8150 8.9610 8.9610 9.0131 9.0131 10.4405 10.4405 11.2116 11.2116 k = 0.0000 0.1167-0.0000 ( 5245 PWs) bands (ev): -8.3762 -8.3762 -6.1030 -6.1030 -6.0190 -6.0190 -6.0114 -6.0114 -3.4541 -3.4541 1.4816 1.4816 1.4943 1.4943 1.7548 1.7548 1.8492 1.8492 1.8860 1.8860 3.1507 3.1507 3.2179 3.2179 3.2484 3.2484 3.3729 3.3729 3.4402 3.4402 3.4634 3.4634 4.0288 4.0288 4.9083 4.9083 4.9718 4.9718 4.9942 4.9942 5.0583 5.0583 5.1756 5.1756 5.1887 5.1887 5.2914 5.2914 5.4211 5.4211 5.6339 5.6339 5.6947 5.6947 5.7447 5.7447 6.9226 6.9226 7.3121 7.3121 7.3366 7.3366 7.6558 7.6558 8.8165 8.8165 9.0027 9.0027 9.0604 9.0604 10.4868 10.4868 11.2356 11.2356 k = 0.0000 0.1333-0.0000 ( 5241 PWs) bands (ev): -8.3675 -8.3675 -6.1272 -6.1272 -6.0186 -6.0186 -6.0107 -6.0107 -3.4331 -3.4331 1.4908 1.4908 1.5099 1.5099 1.7366 1.7366 1.8393 1.8393 1.8810 1.8810 3.1308 3.1308 3.2199 3.2199 3.2498 3.2498 3.3506 3.3506 3.4376 3.4376 3.4621 3.4621 4.0591 4.0591 4.8933 4.8933 4.9706 4.9706 4.9906 4.9906 5.0557 5.0557 5.1702 5.1702 5.1829 5.1829 5.2911 5.2911 5.4452 5.4452 5.6321 5.6321 5.6951 5.6951 5.7493 5.7493 6.8740 6.8740 7.2843 7.2843 7.3113 7.3113 7.6987 7.6987 8.8163 8.8163 9.0526 9.0526 9.1143 9.1143 10.5382 10.5382 11.2634 11.2634 k = 0.0000 0.1500-0.0000 ( 5217 PWs) bands (ev): -8.3577 -8.3577 -6.1536 -6.1536 -6.0181 -6.0181 -6.0099 -6.0099 -3.4102 -3.4102 1.4988 1.4988 1.5275 1.5275 1.7180 1.7180 1.8300 1.8300 1.8755 1.8755 3.1085 3.1085 3.2221 3.2221 3.2516 3.2516 3.3250 3.3250 3.4351 3.4351 3.4606 3.4606 4.0922 4.0922 4.8785 4.8785 4.9690 4.9690 4.9874 4.9874 5.0534 5.0534 5.1563 5.1563 5.1847 5.1847 5.2908 5.2908 5.4686 5.4686 5.6311 5.6311 5.6973 5.6973 5.7543 5.7543 6.8254 6.8254 7.2533 7.2533 7.2828 7.2828 7.7411 7.7411 8.8149 8.8149 9.1097 9.1097 9.1745 9.1745 10.5940 10.5940 11.2950 11.2950 k = 0.0000 0.1667-0.0000 ( 5205 PWs) bands (ev): -8.3470 -8.3470 -6.1820 -6.1820 -6.0176 -6.0176 -6.0091 -6.0091 -3.3858 -3.3858 1.5037 1.5037 1.5472 1.5472 1.7015 1.7015 1.8212 1.8212 1.8696 1.8696 3.0838 3.0838 3.2244 3.2244 3.2536 3.2536 3.2966 3.2966 3.4327 3.4327 3.4588 3.4588 4.1277 4.1277 4.8641 4.8641 4.9670 4.9670 4.9847 4.9847 5.0509 5.0509 5.1415 5.1415 5.1862 5.1862 5.2903 5.2903 5.4907 5.4907 5.6312 5.6312 5.7016 5.7016 5.7596 5.7596 6.7774 6.7774 7.2191 7.2191 7.2512 7.2512 7.7827 7.7827 8.8128 8.8128 9.1734 9.1734 9.2405 9.2405 10.6534 10.6534 11.3305 11.3305 k = 0.0000 0.1833-0.0000 ( 5213 PWs) bands (ev): -8.3354 -8.3354 -6.2121 -6.2121 -6.0171 -6.0171 -6.0083 -6.0083 -3.3601 -3.3601 1.5029 1.5029 1.5687 1.5687 1.6903 1.6903 1.8128 1.8128 1.8633 1.8633 3.0567 3.0567 3.2268 3.2268 3.2541 3.2541 3.2671 3.2671 3.4302 3.4302 3.4567 3.4567 4.1653 4.1653 4.8506 4.8506 4.9646 4.9646 4.9821 4.9821 5.0481 5.0481 5.1267 5.1267 5.1868 5.1868 5.2896 5.2896 5.5114 5.5114 5.6330 5.6330 5.7079 5.7079 5.7651 5.7651 6.7301 6.7301 7.1821 7.1821 7.2167 7.2167 7.8234 7.8234 8.8103 8.8103 9.2428 9.2428 9.3120 9.3120 10.7155 10.7155 11.3698 11.3698 k = 0.0000 0.2000-0.0000 ( 5201 PWs) bands (ev): -8.3231 -8.3231 -6.2434 -6.2434 -6.0165 -6.0165 -6.0074 -6.0074 -3.3335 -3.3335 1.4940 1.4940 1.5922 1.5922 1.6872 1.6872 1.8046 1.8046 1.8568 1.8568 3.0276 3.0276 3.2250 3.2250 3.2338 3.2338 3.2605 3.2605 3.4277 3.4277 3.4544 3.4544 4.2046 4.2046 4.8381 4.8381 4.9620 4.9620 4.9796 4.9796 5.0450 5.0450 5.1126 5.1126 5.1864 5.1864 5.2889 5.2889 5.5305 5.5305 5.6370 5.6370 5.7164 5.7164 5.7709 5.7709 6.6837 6.6837 7.1425 7.1425 7.1796 7.1796 7.8630 7.8630 8.8073 8.8073 9.3175 9.3175 9.3884 9.3884 10.7794 10.7794 11.4129 11.4129 k = 0.0000 0.2167-0.0000 ( 5205 PWs) bands (ev): -8.3100 -8.3100 -6.2758 -6.2758 -6.0159 -6.0159 -6.0064 -6.0064 -3.3063 -3.3063 1.4767 1.4767 1.6175 1.6175 1.6931 1.6931 1.7968 1.7968 1.8502 1.8502 2.9965 2.9965 3.1919 3.1919 3.2335 3.2335 3.2629 3.2629 3.4250 3.4250 3.4519 3.4519 4.2453 4.2453 4.8267 4.8267 4.9592 4.9592 4.9769 4.9769 5.0413 5.0413 5.0993 5.0993 5.1849 5.1849 5.2879 5.2879 5.5480 5.5480 5.6434 5.6434 5.7267 5.7267 5.7769 5.7769 6.6385 6.6385 7.1005 7.1005 7.1401 7.1401 7.9014 7.9014 8.8039 8.8039 9.3968 9.3968 9.4691 9.4691 10.8442 10.8442 11.4597 11.4597 k = 0.0000 0.2333-0.0000 ( 5206 PWs) bands (ev): -8.2962 -8.2962 -6.3088 -6.3088 -6.0153 -6.0153 -6.0055 -6.0055 -3.2786 -3.2786 1.4528 1.4528 1.6447 1.6447 1.7062 1.7062 1.7895 1.7895 1.8435 1.8435 2.9635 2.9635 3.1530 3.1530 3.2363 3.2363 3.2658 3.2658 3.4222 3.4222 3.4492 3.4492 4.2869 4.2869 4.8165 4.8165 4.9564 4.9564 4.9742 4.9742 5.0371 5.0371 5.0872 5.0872 5.1824 5.1824 5.2869 5.2869 5.5641 5.5641 5.6523 5.6523 5.7383 5.7383 5.7832 5.7832 6.5948 6.5948 7.0566 7.0566 7.0986 7.0986 7.9385 7.9385 8.8001 8.8001 9.4800 9.4800 9.5537 9.5537 10.9092 10.9092 11.5101 11.5101 k = 0.0000 0.2500-0.0000 ( 5202 PWs) bands (ev): -8.2820 -8.2820 -6.3421 -6.3421 -6.0146 -6.0146 -6.0046 -6.0046 -3.2510 -3.2510 1.4245 1.4245 1.6736 1.6736 1.7242 1.7242 1.7833 1.7833 1.8368 1.8368 2.9287 2.9287 3.1119 3.1119 3.2395 3.2395 3.2690 3.2690 3.4193 3.4193 3.4462 3.4462 4.3291 4.3291 4.8076 4.8076 4.9537 4.9537 4.9712 4.9712 5.0321 5.0321 5.0768 5.0768 5.1789 5.1789 5.2858 5.2858 5.5791 5.5791 5.6640 5.6640 5.7505 5.7505 5.7902 5.7902 6.5527 6.5527 7.0110 7.0110 7.0554 7.0554 7.9743 7.9743 8.7959 8.7959 9.5664 9.5664 9.6414 9.6414 10.9733 10.9733 11.5637 11.5637 k = 0.0000 0.2667-0.0000 ( 5202 PWs) bands (ev): -8.2675 -8.2675 -6.3754 -6.3754 -6.0140 -6.0140 -6.0036 -6.0036 -3.2235 -3.2235 1.3939 1.3939 1.7040 1.7040 1.7429 1.7429 1.7806 1.7806 1.8306 1.8306 2.8924 2.8924 3.0687 3.0687 3.2427 3.2427 3.2723 3.2723 3.4162 3.4162 3.4430 3.4430 4.3714 4.3714 4.7999 4.7999 4.9512 4.9512 4.9678 4.9678 5.0264 5.0264 5.0681 5.0681 5.1747 5.1747 5.2846 5.2846 5.5929 5.5929 5.6783 5.6783 5.7619 5.7619 5.7985 5.7985 6.5125 6.5125 6.9640 6.9640 7.0107 7.0107 8.0087 8.0087 8.7911 8.7911 9.6554 9.6554 9.7316 9.7316 11.0359 11.0359 11.6200 11.6200 k = 0.0000 0.2833-0.0000 ( 5222 PWs) bands (ev): -8.2527 -8.2527 -6.4084 -6.4084 -6.0133 -6.0133 -6.0027 -6.0027 -3.1966 -3.1966 1.3623 1.3623 1.7353 1.7353 1.7531 1.7531 1.7895 1.7895 1.8255 1.8255 2.8546 2.8546 3.0239 3.0239 3.2461 3.2461 3.2757 3.2757 3.4131 3.4131 3.4396 3.4396 4.4132 4.4132 4.7934 4.7934 4.9490 4.9490 4.9640 4.9640 5.0202 5.0202 5.0613 5.0613 5.1698 5.1698 5.2833 5.2833 5.6055 5.6055 5.6952 5.6952 5.7710 5.7710 5.8095 5.8095 6.4746 6.4746 6.9160 6.9160 6.9649 6.9649 8.0415 8.0415 8.7857 8.7857 9.7462 9.7462 9.8235 9.8235 11.0963 11.0963 11.6784 11.6784 k = 0.0000 0.3000-0.0000 ( 5214 PWs) bands (ev): -8.2378 -8.2378 -6.4408 -6.4408 -6.0127 -6.0127 -6.0018 -6.0018 -3.1704 -3.1704 1.3305 1.3305 1.7489 1.7489 1.7709 1.7709 1.8059 1.8059 1.8279 1.8279 2.8155 2.8155 2.9776 2.9776 3.2495 3.2495 3.2791 3.2791 3.4100 3.4100 3.4360 3.4360 4.4542 4.4542 4.7882 4.7882 4.9474 4.9474 4.9599 4.9599 5.0140 5.0140 5.0562 5.0562 5.1646 5.1646 5.2822 5.2822 5.6170 5.6170 5.7147 5.7147 5.7768 5.7768 5.8240 5.8240 6.4392 6.4392 6.8673 6.8673 6.9184 6.9184 8.0728 8.0728 8.7797 8.7797 9.8380 9.8380 9.9165 9.9165 11.1540 11.1540 11.7381 11.7381 k = 0.0000 0.3167-0.0000 ( 5214 PWs) bands (ev): -8.2230 -8.2230 -6.4722 -6.4722 -6.0121 -6.0121 -6.0009 -6.0009 -3.1453 -3.1453 1.2995 1.2995 1.7445 1.7445 1.7984 1.7984 1.8139 1.8139 1.8512 1.8512 2.7752 2.7752 2.9302 2.9302 3.2530 3.2530 3.2825 3.2825 3.4069 3.4069 3.4322 3.4322 4.4934 4.4934 4.7842 4.7842 4.9463 4.9463 4.9554 4.9554 5.0082 5.0082 5.0526 5.0526 5.1593 5.1593 5.2810 5.2810 5.6272 5.6272 5.7364 5.7364 5.7793 5.7793 5.8417 5.8417 6.4066 6.4066 6.8182 6.8182 6.8714 6.8714 8.1025 8.1025 8.7730 8.7730 9.9299 9.9299 10.0095 10.0095 11.2085 11.2085 11.7984 11.7984 k = 0.0000 0.3333-0.0000 ( 5210 PWs) bands (ev): -8.2085 -8.2085 -6.5024 -6.5024 -6.0115 -6.0115 -6.0001 -6.0001 -3.1214 -3.1214 1.2695 1.2695 1.7389 1.7389 1.7990 1.7990 1.8452 1.8452 1.8830 1.8830 2.7338 2.7338 2.8818 2.8818 3.2564 3.2564 3.2859 3.2859 3.4038 3.4038 3.4284 3.4284 4.5304 4.5304 4.7813 4.7813 4.9458 4.9458 4.9506 4.9506 5.0034 5.0034 5.0503 5.0503 5.1542 5.1542 5.2800 5.2800 5.6357 5.6357 5.7593 5.7593 5.7801 5.7801 5.8619 5.8619 6.3771 6.3771 6.7692 6.7692 6.8242 6.8242 8.1304 8.1304 8.7656 8.7656 10.0208 10.0208 10.1016 10.1016 11.2594 11.2594 11.8584 11.8584 k = 0.0000 0.3500-0.0000 ( 5214 PWs) bands (ev): -8.1944 -8.1944 -6.5309 -6.5309 -6.0109 -6.0109 -5.9993 -5.9993 -3.0990 -3.0990 1.2413 1.2413 1.7332 1.7332 1.7945 1.7945 1.8825 1.8825 1.9179 1.9179 2.6915 2.6915 2.8328 2.8328 3.2599 3.2599 3.2891 3.2891 3.4008 3.4008 3.4244 3.4244 4.5643 4.5643 4.7795 4.7795 4.9456 4.9456 4.9460 4.9460 5.0000 5.0000 5.0491 5.0491 5.1492 5.1492 5.2790 5.2790 5.6426 5.6426 5.7716 5.7716 5.7908 5.7908 5.8839 5.8839 6.3508 6.3508 6.7205 6.7205 6.7774 6.7774 8.1566 8.1566 8.7576 8.7576 10.1098 10.1098 10.1918 10.1918 11.3067 11.3067 11.9179 11.9179 k = 0.0000 0.3667-0.0000 ( 5218 PWs) bands (ev): -8.1811 -8.1811 -6.5575 -6.5575 -6.0104 -6.0104 -5.9986 -5.9986 -3.0784 -3.0784 1.2150 1.2150 1.7279 1.7279 1.7896 1.7896 1.9212 1.9212 1.9546 1.9546 2.6484 2.6484 2.7836 2.7836 3.2632 3.2632 3.2922 3.2922 3.3980 3.3980 3.4204 3.4204 4.5945 4.5945 4.7786 4.7786 4.9409 4.9409 4.9461 4.9461 4.9985 4.9985 5.0491 5.0491 5.1449 5.1449 5.2780 5.2780 5.6474 5.6474 5.7682 5.7682 5.8168 5.8168 5.9075 5.9075 6.3279 6.3279 6.6726 6.6726 6.7312 6.7312 8.1809 8.1809 8.7492 8.7492 10.1955 10.1955 10.2788 10.2788 11.3500 11.3500 11.9762 11.9762 k = 0.0000 0.3833-0.0000 ( 5218 PWs) bands (ev): -8.1686 -8.1686 -6.5819 -6.5819 -6.0099 -6.0099 -5.9979 -5.9979 -3.0596 -3.0596 1.1911 1.1911 1.7229 1.7229 1.7851 1.7851 1.9608 1.9608 1.9928 1.9928 2.6047 2.6047 2.7345 2.7345 3.2664 3.2664 3.2951 3.2951 3.3955 3.3955 3.4165 3.4165 4.6203 4.6203 4.7787 4.7787 4.9362 4.9362 4.9461 4.9461 4.9991 4.9991 5.0503 5.0503 5.1414 5.1414 5.2772 5.2772 5.6502 5.6502 5.7621 5.7621 5.8454 5.8454 5.9322 5.9322 6.3083 6.3083 6.6262 6.6262 6.6862 6.6862 8.2033 8.2033 8.7404 8.7404 10.2768 10.2768 10.3613 10.3613 11.3891 11.3891 12.0333 12.0333 k = 0.0000 0.4000-0.0000 ( 5222 PWs) bands (ev): -8.1572 -8.1572 -6.6038 -6.6038 -6.0095 -6.0095 -5.9973 -5.9973 -3.0430 -3.0430 1.1698 1.1698 1.7185 1.7185 1.7810 1.7810 2.0009 2.0009 2.0322 2.0322 2.5606 2.5606 2.6860 2.6860 3.2695 3.2695 3.2977 3.2977 3.3933 3.3933 3.4126 3.4126 4.6416 4.6416 4.7794 4.7794 4.9320 4.9320 4.9457 4.9457 5.0014 5.0014 5.0530 5.0530 5.1389 5.1389 5.2764 5.2764 5.6505 5.6505 5.7551 5.7551 5.8748 5.8748 5.9573 5.9573 6.2920 6.2920 6.5818 6.5818 6.6429 6.6429 8.2234 8.2234 8.7317 8.7317 10.3520 10.3520 10.4377 10.4377 11.4238 11.4238 12.0886 12.0886 k = 0.0000 0.4167-0.0000 ( 5214 PWs) bands (ev): -8.1472 -8.1472 -6.6229 -6.6229 -6.0091 -6.0091 -5.9968 -5.9968 -3.0286 -3.0286 1.1514 1.1514 1.7147 1.7147 1.7774 1.7774 2.0409 2.0409 2.0726 2.0726 2.5162 2.5162 2.6388 2.6388 3.2723 3.2723 3.3000 3.3000 3.3915 3.3915 3.4089 3.4089 4.6584 4.6584 4.7805 4.7805 4.9281 4.9281 4.9449 4.9449 5.0045 5.0045 5.0570 5.0570 5.1378 5.1378 5.2758 5.2758 5.6485 5.6485 5.7484 5.7484 5.9043 5.9043 5.9822 5.9822 6.2787 6.2787 6.5404 6.5404 6.6022 6.6022 8.2413 8.2413 8.7233 8.7233 10.4196 10.4196 10.5065 10.5065 11.4539 11.4539 12.1414 12.1414 k = 0.0000 0.4333-0.0000 ( 5226 PWs) bands (ev): -8.1386 -8.1386 -6.6389 -6.6389 -6.0088 -6.0088 -5.9964 -5.9964 -3.0166 -3.0166 1.1360 1.1360 1.7115 1.7115 1.7744 1.7744 2.0799 2.0799 2.1136 2.1136 2.4717 2.4717 2.5938 2.5938 3.2748 3.2748 3.3019 3.3019 3.3902 3.3902 3.4054 3.4054 4.6710 4.6710 4.7818 4.7818 4.9247 4.9247 4.9439 4.9439 5.0076 5.0076 5.0617 5.0617 5.1381 5.1381 5.2753 5.2753 5.6444 5.6444 5.7427 5.7427 5.9327 5.9327 6.0058 6.0058 6.2680 6.2680 6.5030 6.5030 6.5649 6.5649 8.2565 8.2565 8.7155 8.7155 10.4780 10.4780 10.5660 10.5660 11.4791 11.4791 12.1905 12.1905 k = 0.0000 0.4500-0.0000 ( 5234 PWs) bands (ev): -8.1318 -8.1318 -6.6516 -6.6516 -6.0086 -6.0086 -5.9961 -5.9961 -3.0072 -3.0072 1.1239 1.1239 1.7089 1.7089 1.7720 1.7720 2.1164 2.1164 2.1549 2.1549 2.4276 2.4276 2.5527 2.5527 3.2768 3.2768 3.3034 3.3034 3.3895 3.3895 3.4023 3.4023 4.6800 4.6800 4.7830 4.7830 4.9220 4.9220 4.9427 4.9427 5.0101 5.0101 5.0664 5.0664 5.1398 5.1398 5.2748 5.2748 5.6391 5.6391 5.7384 5.7384 5.9586 5.9586 6.0268 6.0268 6.2598 6.2598 6.4713 6.4713 6.5324 6.5324 8.2687 8.2687 8.7089 8.7089 10.5255 10.5255 10.6144 10.6144 11.4991 11.4991 12.2342 12.2342 k = 0.0000 0.4667-0.0000 ( 5246 PWs) bands (ev): -8.1268 -8.1268 -6.6608 -6.6608 -6.0084 -6.0084 -5.9959 -5.9959 -3.0004 -3.0004 1.1151 1.1151 1.7071 1.7071 1.7703 1.7703 2.1480 2.1480 2.1959 2.1959 2.3844 2.3844 2.5180 2.5180 3.2784 3.2784 3.3045 3.3045 3.3892 3.3892 3.3997 3.3997 4.6858 4.6858 4.7840 4.7840 4.9200 4.9200 4.9417 4.9417 5.0119 5.0119 5.0702 5.0702 5.1422 5.1422 5.2741 5.2741 5.6339 5.6339 5.7356 5.7356 5.9800 5.9800 6.0435 6.0435 6.2536 6.2536 6.4470 6.4470 6.5067 6.5067 8.2778 8.2778 8.7038 8.7038 10.5607 10.5607 10.6504 10.6504 11.5136 11.5136 12.2701 12.2701 k = 0.0000 0.4833-0.0000 ( 5238 PWs) bands (ev): -8.1237 -8.1237 -6.6664 -6.6664 -6.0083 -6.0083 -5.9957 -5.9957 -2.9963 -2.9963 1.1098 1.1098 1.7060 1.7060 1.7692 1.7692 2.1704 2.1704 2.2345 2.2345 2.3445 2.3445 2.4938 2.4938 3.2794 3.2794 3.3052 3.3052 3.3892 3.3892 3.3979 3.3979 4.6892 4.6892 4.7846 4.7846 4.9189 4.9189 4.9412 4.9412 5.0129 5.0129 5.0725 5.0725 5.1444 5.1444 5.2739 5.2739 5.6301 5.6301 5.7340 5.7340 5.9945 5.9945 6.0544 6.0544 6.2497 6.2497 6.4317 6.4317 6.4898 6.4898 8.2833 8.2833 8.7006 8.7006 10.5824 10.5824 10.6725 10.6725 11.5224 11.5224 12.2949 12.2949 k = 0.0000 0.5000-0.0000 ( 5230 PWs) bands (ev): -8.1227 -8.1227 -6.6682 -6.6682 -6.0082 -6.0082 -5.9957 -5.9957 -2.9949 -2.9949 1.1081 1.1081 1.7057 1.7057 1.7689 1.7689 2.1787 2.1787 2.2566 2.2566 2.3220 2.3220 2.4849 2.4849 3.2798 3.2798 3.3054 3.3054 3.3893 3.3893 3.3973 3.3973 4.6903 4.6903 4.7849 4.7849 4.9185 4.9185 4.9410 4.9410 5.0132 5.0132 5.0733 5.0733 5.1452 5.1452 5.2738 5.2738 5.6287 5.6287 5.7335 5.7335 5.9997 5.9997 6.0582 6.0582 6.2484 6.2484 6.4265 6.4265 6.4840 6.4840 8.2852 8.2852 8.6995 8.6995 10.5897 10.5897 10.6800 10.6800 11.5254 11.5254 12.3040 12.3040 k = 0.0000 0.5000-0.0000 ( 5230 PWs) bands (ev): -8.1227 -8.1227 -6.6682 -6.6682 -6.0082 -6.0082 -5.9957 -5.9957 -2.9949 -2.9949 1.1081 1.1081 1.7057 1.7057 1.7689 1.7689 2.1787 2.1787 2.2566 2.2566 2.3220 2.3220 2.4849 2.4849 3.2798 3.2798 3.3054 3.3054 3.3893 3.3893 3.3973 3.3973 4.6903 4.6903 4.7849 4.7849 4.9185 4.9185 4.9410 4.9410 5.0132 5.0132 5.0733 5.0733 5.1452 5.1452 5.2738 5.2738 5.6287 5.6287 5.7335 5.7335 5.9997 5.9997 6.0582 6.0582 6.2484 6.2484 6.4265 6.4265 6.4840 6.4840 8.2852 8.2852 8.6995 8.6995 10.5897 10.5897 10.6800 10.6800 11.5254 11.5254 12.3040 12.3040 k = 0.0167 0.5000-0.0000 ( 5238 PWs) bands (ev): -8.1223 -8.1223 -6.6679 -6.6676 -6.0091 -6.0088 -5.9964 -5.9963 -2.9945 -2.9942 1.1044 1.1103 1.7002 1.7058 1.7644 1.7673 2.1813 2.1827 2.2557 2.2569 2.3230 2.3249 2.4860 2.4869 3.2784 3.2808 3.3052 3.3054 3.3889 3.3890 3.3966 3.3974 4.6874 4.6935 4.7827 4.7871 4.9110 4.9260 4.9355 4.9445 5.0075 5.0192 5.0712 5.0767 5.1366 5.1549 5.2648 5.2855 5.6253 5.6277 5.7290 5.7376 5.9958 6.0022 6.0574 6.0607 6.2346 6.2585 6.4155 6.4375 6.4863 6.4864 8.2854 8.2856 8.7008 8.7068 10.5866 10.5884 10.6773 10.6784 11.5281 11.5316 12.3051 12.3063 k = 0.0333 0.5000-0.0000 ( 5254 PWs) bands (ev): -8.1211 -8.1210 -6.6667 -6.6660 -6.0113 -6.0107 -5.9984 -5.9982 -2.9930 -2.9926 1.0993 1.1112 1.6890 1.7006 1.7547 1.7607 2.1897 2.1916 2.2543 2.2566 2.3285 2.3328 2.4901 2.4918 3.2765 3.2813 3.3047 3.3051 3.3876 3.3878 3.3957 3.3970 4.6848 4.6970 4.7807 4.7895 4.9039 4.9282 4.9338 4.9460 5.0028 5.0243 5.0718 5.0804 5.1294 5.1649 5.2586 5.2998 5.6166 5.6230 5.7258 5.7400 5.9919 5.9983 6.0571 6.0693 6.2196 6.2622 6.4081 6.4410 6.4920 6.4992 8.2862 8.2866 8.7104 8.7226 10.5786 10.5826 10.6708 10.6729 11.5399 11.5468 12.3098 12.3122 k = 0.0500 0.5000-0.0000 ( 5238 PWs) bands (ev): -8.1190 -8.1188 -6.6646 -6.6635 -6.0150 -6.0143 -6.0015 -6.0011 -2.9906 -2.9899 1.0927 1.1105 1.6721 1.6901 1.7422 1.7512 2.2006 2.2018 2.2524 2.2558 2.3399 2.3474 2.4971 2.4996 3.2743 3.2814 3.3040 3.3048 3.3847 3.3858 3.3951 3.3965 4.6826 4.7006 4.7791 4.7921 4.8974 4.9206 4.9407 4.9457 4.9991 5.0271 5.0765 5.0837 5.1240 5.1741 5.2562 5.3168 5.6030 5.6152 5.7251 5.7408 5.9852 5.9866 6.0605 6.0857 6.2047 6.2584 6.4029 6.4352 6.5029 6.5226 8.2874 8.2880 8.7283 8.7466 10.5651 10.5715 10.6616 10.6649 11.5605 11.5706 12.3177 12.3213 k = 0.0667 0.5000-0.0000 ( 5230 PWs) bands (ev): -8.1160 -8.1159 -6.6615 -6.6601 -6.0203 -6.0198 -6.0057 -6.0048 -2.9871 -2.9862 1.0844 1.1080 1.6504 1.6745 1.7293 1.7407 2.2094 2.2101 2.2501 2.2542 2.3587 2.3700 2.5069 2.5100 3.2715 3.2809 3.3030 3.3045 3.3802 3.3827 3.3950 3.3961 4.6806 4.7041 4.7782 4.7948 4.8916 4.9127 4.9440 4.9472 4.9961 5.0276 5.0849 5.0863 5.1202 5.1810 5.2588 5.3366 5.5852 5.6045 5.7270 5.7409 5.9691 5.9724 6.0707 6.1075 6.1900 6.2483 6.3962 6.4237 6.5207 6.5523 8.2888 8.2896 8.7540 8.7785 10.5450 10.5541 10.6514 10.6557 11.5895 11.6026 12.3288 12.3337 k = 0.0833 0.5000-0.0000 ( 5236 PWs) bands (ev): -8.1123 -8.1121 -6.6575 -6.6558 -6.0274 -6.0271 -6.0105 -6.0091 -2.9827 -2.9816 1.0743 1.1036 1.6258 1.6551 1.7169 1.7296 2.2129 2.2159 2.2472 2.2518 2.3853 2.4002 2.5189 2.5226 3.2682 3.2797 3.3016 3.3042 3.3742 3.3785 3.3952 3.3959 4.6788 4.7070 4.7781 4.7976 4.8864 4.9051 4.9411 4.9528 4.9937 5.0267 5.0881 5.0953 5.1180 5.1841 5.2673 5.3590 5.5647 5.5913 5.7308 5.7413 5.9485 5.9536 6.0873 6.1319 6.1755 6.2343 6.3857 6.4086 6.5453 6.5856 8.2901 8.2911 8.7871 8.8179 10.5177 10.5297 10.6417 10.6467 11.6267 11.6426 12.3428 12.3488 k = 0.1000 0.5000-0.0000 ( 5232 PWs) bands (ev): -8.1078 -8.1076 -6.6526 -6.6505 -6.0363 -6.0363 -6.0161 -6.0140 -2.9775 -2.9761 1.0623 1.0969 1.6003 1.6342 1.7049 1.7182 2.2126 2.2177 2.2437 2.2487 2.4184 2.4364 2.5329 2.5371 3.2642 3.2776 3.2998 3.3040 3.3671 3.3736 3.3957 3.3960 4.6772 4.7090 4.7795 4.8006 4.8821 4.8983 4.9376 4.9574 4.9915 5.0254 5.0890 5.1067 5.1174 5.1838 5.2812 5.3841 5.5427 5.5765 5.7356 5.7430 5.9268 5.9308 6.1074 6.1557 6.1619 6.2201 6.3710 6.3910 6.5751 6.6211 8.2909 8.2921 8.8270 8.8642 10.4836 10.4985 10.6334 10.6385 11.6715 11.6898 12.3500 12.3531 k = 0.1167 0.5000-0.0000 ( 5248 PWs) bands (ev): -8.1026 -8.1023 -6.6468 -6.6444 -6.0472 -6.0469 -6.0222 -6.0196 -2.9713 -2.9699 1.0482 1.0876 1.5755 1.6136 1.6929 1.7065 2.2094 2.2164 2.2396 2.2449 2.4559 2.4763 2.5486 2.5531 3.2596 3.2748 3.2972 3.3036 3.3590 3.3684 3.3962 3.3963 4.6756 4.7098 4.7826 4.8039 4.8784 4.8924 4.9337 4.9610 4.9895 5.0240 5.0891 5.1177 5.1181 5.1811 5.2988 5.4113 5.5203 5.5608 5.7403 5.7462 5.9056 5.9057 6.1241 6.1539 6.1686 6.2159 6.3531 6.3719 6.6082 6.6580 8.2907 8.2922 8.8729 8.9167 10.4434 10.4614 10.6264 10.6313 11.7232 11.7436 12.3398 12.3443 k = 0.1333 0.5000-0.0000 ( 5244 PWs) bands (ev): -8.0967 -8.0963 -6.6401 -6.6374 -6.0596 -6.0591 -6.0291 -6.0258 -2.9645 -2.9628 1.0320 1.0755 1.5528 1.5944 1.6809 1.6945 2.2043 2.2128 2.2350 2.2406 2.4961 2.5181 2.5654 2.5704 3.2544 3.2714 3.2936 3.3027 3.3507 3.3633 3.3966 3.3971 4.6741 4.7094 4.7877 4.8076 4.8752 4.8877 4.9300 4.9638 4.9878 5.0228 5.0883 5.1201 5.1277 5.1775 5.3186 5.4398 5.4993 5.5455 5.7435 5.7512 5.8793 5.8874 6.1215 6.1594 6.1662 6.2329 6.3331 6.3525 6.6433 6.6957 8.2893 8.2909 8.9242 8.9749 10.3980 10.4198 10.6207 10.6252 11.7812 11.8031 12.3302 12.3365 k = 0.1500 0.5000-0.0000 ( 5236 PWs) bands (ev): -8.0900 -8.0897 -6.6326 -6.6295 -6.0733 -6.0726 -6.0365 -6.0328 -2.9570 -2.9552 1.0138 1.0604 1.5330 1.5775 1.6687 1.6825 2.1977 2.2075 2.2300 2.2359 2.5374 2.5597 2.5832 2.5894 3.2486 3.2674 3.2888 3.3005 3.3428 3.3588 3.3972 3.3981 4.6726 4.7079 4.7945 4.8115 4.8724 4.8841 4.9265 4.9659 4.9863 5.0219 5.0866 5.1232 5.1360 5.1738 5.3386 5.4604 5.4888 5.5321 5.7430 5.7578 5.8527 5.8741 6.1095 6.1412 6.1870 6.2564 6.3135 6.3346 6.6796 6.7337 8.2862 8.2879 8.9798 9.0379 10.3488 10.3750 10.6161 10.6200 11.8442 11.8673 12.3225 12.3310 k = 0.1667 0.5000-0.0000 ( 5244 PWs) bands (ev): -8.0828 -8.0824 -6.6242 -6.6209 -6.0882 -6.0874 -6.0447 -6.0405 -2.9489 -2.9470 0.9937 1.0425 1.5166 1.5632 1.6567 1.6704 2.1902 2.2011 2.2247 2.2308 2.5783 2.5954 2.6019 2.6145 3.2422 3.2630 3.2826 3.2960 3.3364 3.3552 3.3979 3.3991 4.6712 4.7056 4.8027 4.8156 4.8698 4.8815 4.9234 4.9674 4.9849 5.0213 5.0840 5.1267 5.1412 5.1712 5.3571 5.4496 5.5125 5.5223 5.7370 5.7654 5.8268 5.8678 6.0969 6.1212 6.2042 6.2661 6.3081 6.3219 6.7163 6.7716 8.2810 8.2828 9.0388 9.1047 10.2967 10.3283 10.6124 10.6158 11.9108 11.9342 12.3186 12.3299 k = 0.1833 0.5000-0.0000 ( 5236 PWs) bands (ev): -8.0751 -8.0746 -6.6151 -6.6114 -6.1041 -6.1032 -6.0536 -6.0490 -2.9403 -2.9383 0.9721 1.0219 1.5038 1.5515 1.6448 1.6585 2.1822 2.1940 2.2191 2.2255 2.6129 2.6180 2.6263 2.6516 3.2352 3.2584 3.2752 3.2886 3.3324 3.3528 3.3986 3.4002 4.6699 4.7029 4.8121 4.8200 4.8674 4.8800 4.9210 4.9684 4.9838 5.0210 5.0808 5.1303 5.1424 5.1707 5.3719 5.4323 5.5182 5.5454 5.7254 5.7709 5.8049 5.8690 6.0855 6.1017 6.2112 6.2492 6.3201 6.3288 6.7529 6.8090 8.2735 8.2753 9.0997 9.1743 10.2433 10.2814 10.6097 10.6124 11.9784 12.0010 12.3211 12.3362 k = 0.2000 0.5000-0.0000 ( 5230 PWs) bands (ev): -8.0668 -8.0664 -6.6051 -6.6011 -6.1209 -6.1198 -6.0632 -6.0582 -2.9314 -2.9293 0.9492 0.9992 1.4943 1.5424 1.6332 1.6468 2.1741 2.1866 2.2133 2.2200 2.6335 2.6362 2.6631 2.6911 3.2276 3.2536 3.2670 3.2786 3.3307 3.3514 3.3995 3.4014 4.6689 4.7002 4.8221 4.8243 4.8650 4.8794 4.9193 4.9692 4.9831 5.0209 5.0772 5.1333 5.1402 5.1714 5.3815 5.4165 5.5211 5.5789 5.7104 5.7615 5.7998 5.8760 6.0763 6.0839 6.2057 6.2251 6.3313 6.3559 6.7890 6.8456 8.2634 8.2652 9.1611 9.2452 10.1901 10.2360 10.6079 10.6100 12.0426 12.0628 12.3344 12.3548 k = 0.2167 0.5000-0.0000 ( 5236 PWs) bands (ev): -8.0582 -8.0577 -6.5944 -6.5901 -6.1383 -6.1372 -6.0735 -6.0681 -2.9222 -2.9200 0.9255 0.9747 1.4878 1.5355 1.6220 1.6355 2.1660 2.1791 2.2074 2.2144 2.6506 2.6528 2.7007 2.7291 3.2192 3.2486 3.2585 3.2673 3.3303 3.3508 3.4004 3.4025 4.6681 4.6976 4.8285 4.8322 4.8630 4.8796 4.9182 4.9699 4.9826 5.0209 5.0733 5.1350 5.1361 5.1715 5.3862 5.4033 5.5304 5.6099 5.6952 5.7393 5.8094 5.8863 6.0690 6.0699 6.1926 6.2002 6.3510 6.3836 6.8242 6.8810 8.2505 8.2522 9.2208 9.3155 10.1390 10.1941 10.6068 10.6084 12.0973 12.1137 12.3646 12.3914 k = 0.2333 0.5000-0.0000 ( 5236 PWs) bands (ev): -8.0492 -8.0487 -6.5830 -6.5784 -6.1561 -6.1550 -6.0845 -6.0787 -2.9128 -2.9106 0.9013 0.9492 1.4838 1.5306 1.6113 1.6247 2.1582 2.1719 2.2015 2.2087 2.6663 2.6682 2.7364 2.7648 3.2102 3.2430 3.2506 3.2561 3.3308 3.3508 3.4014 3.4037 4.6677 4.6953 4.8324 4.8411 4.8622 4.8805 4.9176 4.9706 4.9823 5.0210 5.0695 5.1313 5.1349 5.1698 5.3882 5.3934 5.5437 5.6309 5.6875 5.7153 5.8227 5.8983 6.0584 6.0667 6.1761 6.1775 6.3744 6.4107 6.8584 6.9150 8.2349 8.2364 9.2764 9.3824 10.0930 10.1585 10.6065 10.6076 12.1375 12.1504 12.4164 12.4492 k = 0.2500 0.5000-0.0000 ( 5242 PWs) bands (ev): -8.0400 -8.0394 -6.5709 -6.5660 -6.1743 -6.1731 -6.0961 -6.0900 -2.9033 -2.9012 0.8771 0.9230 1.4819 1.5273 1.6012 1.6145 2.1510 2.1651 2.1957 2.2029 2.6807 2.6822 2.7692 2.7972 3.2008 3.2354 3.2435 3.2473 3.3317 3.3513 3.4024 3.4049 4.6678 4.6935 4.8358 4.8460 4.8654 4.8820 4.9175 4.9714 4.9823 5.0211 5.0658 5.1264 5.1327 5.1658 5.3870 5.3897 5.5580 5.6299 5.6916 5.6983 5.8369 5.9103 6.0533 6.0671 6.1543 6.1640 6.3987 6.4366 6.8910 6.9473 8.2165 8.2177 9.3248 9.4418 10.0561 10.1322 10.6070 10.6077 12.1646 12.1754 12.4877 12.5249 k = 0.2667 0.5000-0.0000 ( 5248 PWs) bands (ev): -8.0306 -8.0301 -6.5582 -6.5529 -6.1925 -6.1913 -6.1084 -6.1019 -2.8939 -2.8918 0.8532 0.8968 1.4816 1.5252 1.5919 1.6048 2.1446 2.1590 2.1900 2.1972 2.6935 2.6947 2.7986 2.8259 3.1915 3.2258 3.2377 3.2418 3.3327 3.3521 3.4034 3.4060 4.6684 4.6922 4.8385 4.8460 4.8731 4.8838 4.9177 4.9724 4.9825 5.0210 5.0625 5.1216 5.1284 5.1595 5.3843 5.3921 5.5711 5.6158 5.6690 5.7171 5.8506 5.9215 6.0543 6.0714 6.1371 6.1546 6.4229 6.4612 6.9221 6.9776 8.1955 8.1964 9.3623 9.4877 10.0341 10.1186 10.6080 10.6084 12.1840 12.1940 12.5454 12.5580 k = 0.2833 0.5000-0.0000 ( 5250 PWs) bands (ev): -8.0211 -8.0206 -6.5448 -6.5393 -6.2106 -6.2094 -6.1212 -6.1145 -2.8846 -2.8825 0.8299 0.8710 1.4824 1.5239 1.5833 1.5959 2.1391 2.1537 2.1846 2.1916 2.7048 2.7057 2.8240 2.8502 3.1831 3.2165 3.2330 3.2382 3.3338 3.3529 3.4044 3.4071 4.6696 4.6916 4.8403 4.8436 4.8826 4.8858 4.9184 4.9733 4.9831 5.0206 5.0598 5.1171 5.1222 5.1516 5.3850 5.3960 5.5812 5.5989 5.6482 5.7321 5.8619 5.9311 6.0604 6.0797 6.1279 6.1513 6.4461 6.4840 6.9513 7.0058 8.1720 8.1726 9.3861 9.5139 10.0332 10.1206 10.6096 10.6098 12.2004 12.2102 12.5525 12.5629 k = 0.3000 0.5000-0.0000 ( 5254 PWs) bands (ev): -8.0118 -8.0112 -6.5309 -6.5251 -6.2284 -6.2273 -6.1346 -6.1277 -2.8756 -2.8735 0.8077 0.8459 1.4840 1.5231 1.5756 1.5878 2.1346 2.1493 2.1794 2.1861 2.7145 2.7152 2.8448 2.8694 3.1763 3.2089 3.2295 3.2356 3.3348 3.3539 3.4053 3.4081 4.6714 4.6917 4.8404 4.8412 4.8879 4.8917 4.9198 4.9736 4.9849 5.0197 5.0576 5.1128 5.1146 5.1427 5.3885 5.4014 5.5817 5.5865 5.6308 5.7400 5.8692 5.9370 6.0704 6.0926 6.1304 6.1552 6.4679 6.5050 6.9785 7.0315 8.1465 8.1466 9.3950 9.5175 10.0561 10.1391 10.6117 10.6118 12.2167 12.2266 12.5566 12.5648 k = 0.3167 0.5000-0.0000 ( 5242 PWs) bands (ev): -8.0025 -8.0020 -6.5164 -6.5104 -6.2457 -6.2446 -6.1485 -6.1414 -2.8669 -2.8649 0.7866 0.8218 1.4860 1.5225 1.5689 1.5804 2.1313 2.1460 2.1745 2.1809 2.7226 2.7231 2.8605 2.8834 3.1720 3.2040 3.2271 3.2338 3.3358 3.3547 3.4063 3.4091 4.6739 4.6926 4.8368 4.8412 4.8898 4.8993 4.9225 4.9728 4.9884 5.0182 5.0559 5.1063 5.1085 5.1337 5.3944 5.4082 5.5652 5.5837 5.6202 5.7409 5.8713 5.9364 6.0859 6.1107 6.1445 6.1662 6.4881 6.5239 7.0035 7.0548 8.1190 8.1193 9.3901 9.5014 10.0995 10.1727 10.6142 10.6144 12.2342 12.2443 12.5589 12.5646 k = 0.3333 0.5000-0.0000 ( 5234 PWs) bands (ev): -7.9936 -7.9931 -6.5015 -6.4952 -6.2622 -6.2613 -6.1630 -6.1557 -2.8586 -2.8567 0.7669 0.7991 1.4882 1.5217 1.5632 1.5738 2.1290 2.1435 2.1701 2.1760 2.7291 2.7296 2.8711 2.8919 3.1706 3.2020 3.2256 3.2326 3.3367 3.3554 3.4072 3.4099 4.6771 4.6941 4.8329 4.8402 4.8916 4.9043 4.9273 4.9711 4.9932 5.0159 5.0545 5.0980 5.1042 5.1254 5.4020 5.4159 5.5497 5.5725 5.6172 5.7364 5.8684 5.9286 6.1088 6.1339 6.1667 6.1831 6.5063 6.5405 7.0262 7.0753 8.0903 8.0909 9.3744 9.4723 10.1564 10.2181 10.6172 10.6175 12.2539 12.2641 12.5607 12.5637 k = 0.3500 0.5000-0.0000 ( 5248 PWs) bands (ev): -7.9850 -7.9846 -6.4861 -6.4796 -6.2779 -6.2771 -6.1778 -6.1704 -2.8508 -2.8490 0.7488 0.7779 1.4904 1.5205 1.5586 1.5680 2.1278 2.1420 2.1662 2.1715 2.7343 2.7346 2.8766 2.8953 3.1722 3.2029 3.2249 3.2319 3.3374 3.3559 3.4081 3.4107 4.6808 4.6962 4.8287 4.8381 4.8930 4.9067 4.9340 4.9689 4.9991 5.0126 5.0528 5.0904 5.0993 5.1186 5.4107 5.4240 5.5353 5.5581 5.6171 5.7282 5.8616 5.9156 6.1376 6.1613 6.1936 6.2042 6.5222 6.5546 7.0465 7.0931 8.0609 8.0620 9.3515 9.4360 10.2202 10.2709 10.6205 10.6210 12.2761 12.2863 12.5630 12.5634 k = 0.3667 0.5000-0.0000 ( 5240 PWs) bands (ev): -7.9770 -7.9765 -6.4704 -6.4636 -6.2926 -6.2918 -6.1931 -6.1856 -2.8436 -2.8420 0.7325 0.7584 1.4925 1.5189 1.5551 1.5630 2.1276 2.1413 2.1628 2.1674 2.7382 2.7385 2.8779 2.8944 3.1766 3.2061 3.2248 3.2316 3.3381 3.3561 3.4089 3.4113 4.6851 4.6991 4.8244 4.8350 4.8941 4.9075 4.9415 4.9665 5.0057 5.0085 5.0507 5.0843 5.0944 5.1134 5.4201 5.4325 5.5224 5.5436 5.6176 5.7179 5.8525 5.9001 6.1698 6.1915 6.2228 6.2281 6.5359 6.5661 7.0645 7.1080 8.0317 8.0331 9.3247 9.3968 10.2860 10.3272 10.6243 10.6252 12.3009 12.3112 12.5650 12.5672 k = 0.3833 0.5000-0.0000 ( 5240 PWs) bands (ev): -7.9695 -7.9691 -6.4544 -6.4474 -6.3059 -6.3053 -6.2087 -6.2011 -2.8370 -2.8356 0.7180 0.7407 1.4943 1.5169 1.5524 1.5588 2.1282 2.1412 2.1601 2.1638 2.7410 2.7414 2.8759 2.8903 3.1830 3.2109 3.2252 3.2316 3.3387 3.3560 3.4097 3.4119 4.6899 4.7024 4.8198 4.8311 4.8950 4.9074 4.9490 4.9642 5.0038 5.0126 5.0475 5.0802 5.0898 5.1091 5.4298 5.4407 5.5108 5.5301 5.6181 5.7065 5.8423 5.8837 6.2029 6.2230 6.2529 6.2534 6.5470 6.5749 7.0802 7.1200 8.0033 8.0049 9.2967 9.3577 10.3501 10.3835 10.6287 10.6299 12.3286 12.3387 12.5696 12.5741 k = 0.4000 0.5000-0.0000 ( 5240 PWs) bands (ev): -7.9628 -7.9625 -6.4381 -6.4310 -6.3178 -6.3174 -6.2245 -6.2169 -2.8312 -2.8299 0.7055 0.7250 1.4959 1.5147 1.5505 1.5554 2.1293 2.1413 2.1580 2.1610 2.7430 2.7433 2.8717 2.8841 3.1906 3.2163 3.2260 3.2318 3.3393 3.3556 3.4103 3.4123 4.6951 4.7062 4.8152 4.8264 4.8956 4.9067 4.9560 4.9623 4.9989 5.0193 5.0438 5.0781 5.0858 5.1054 5.4393 5.4484 5.5009 5.5182 5.6188 5.6948 5.8322 5.8676 6.2355 6.2546 6.2786 6.2823 6.5557 6.5808 7.0936 7.1293 7.9766 7.9783 9.2697 9.3205 10.4095 10.4364 10.6340 10.6356 12.3589 12.3688 12.5779 12.5844 k = 0.4167 0.5000-0.0000 ( 5246 PWs) bands (ev): -7.9569 -7.9566 -6.4218 -6.4145 -6.3282 -6.3279 -6.2405 -6.2329 -2.8261 -2.8251 0.6950 0.7113 1.4972 1.5123 1.5492 1.5527 2.1307 2.1413 2.1566 2.1589 2.7443 2.7446 2.8664 2.8768 3.1988 3.2216 3.2270 3.2322 3.3400 3.3548 3.4109 3.4127 4.7005 4.7102 4.8106 4.8211 4.8961 4.9057 4.9608 4.9619 4.9946 5.0241 5.0414 5.0774 5.0825 5.1019 5.4482 5.4551 5.4925 5.5080 5.6199 5.6833 5.8228 5.8525 6.2663 6.2850 6.3024 6.3097 6.5620 6.5841 7.1049 7.1359 7.9523 7.9540 9.2451 9.2865 10.4615 10.4830 10.6408 10.6426 12.3918 12.4014 12.5901 12.5982 k = 0.4333 0.5000-0.0000 ( 5246 PWs) bands (ev): -7.9520 -7.9517 -6.4055 -6.3982 -6.3368 -6.3367 -6.2564 -6.2490 -2.8219 -2.8210 0.6866 0.6997 1.4983 1.5100 1.5482 1.5505 2.1321 2.1411 2.1560 2.1577 2.7451 2.7454 2.8610 2.8693 3.2069 3.2261 3.2281 3.2325 3.3409 3.3537 3.4115 3.4129 4.7060 4.7142 4.8062 4.8155 4.8965 4.9044 4.9599 4.9660 4.9921 5.0242 5.0434 5.0778 5.0798 5.0982 5.4561 5.4604 5.4860 5.4998 5.6215 5.6723 5.8149 5.8388 6.2943 6.3129 6.3235 6.3339 6.5663 6.5848 7.1144 7.1400 7.9312 7.9328 9.2242 9.2568 10.5041 10.5206 10.6495 10.6513 12.4270 12.4362 12.6060 12.6148 k = 0.4500 0.5000-0.0000 ( 5246 PWs) bands (ev): -7.9480 -7.9478 -6.3895 -6.3823 -6.3438 -6.3435 -6.2719 -6.2649 -2.8185 -2.8179 0.6805 0.6903 1.4993 1.5078 1.5476 1.5490 2.1335 2.1403 2.1559 2.1572 2.7455 2.7458 2.8562 2.8625 3.2145 3.2291 3.2293 3.2329 3.3420 3.3522 3.4120 3.4130 4.7112 4.7178 4.8024 4.8101 4.8969 4.9030 4.9597 4.9673 4.9924 5.0204 5.0490 5.0773 5.0787 5.0944 5.4623 5.4641 5.4819 5.4939 5.6240 5.6621 5.8089 5.8270 6.3185 6.3372 6.3409 6.3538 6.5689 6.5835 7.1223 7.1421 7.9141 7.9153 9.2079 9.2321 10.5356 10.5475 10.6604 10.6616 12.4642 12.4727 12.6242 12.6327 k = 0.4667 0.5000-0.0000 ( 5250 PWs) bands (ev): -7.9451 -7.9450 -6.3745 -6.3676 -6.3488 -6.3482 -6.2863 -6.2800 -2.8161 -2.8156 0.6765 0.6830 1.5004 1.5059 1.5471 1.5479 2.1348 2.1393 2.1562 2.1571 2.7458 2.7460 2.8527 2.8569 3.2210 3.2301 3.2309 3.2330 3.3434 3.3506 3.4124 3.4131 4.7158 4.7205 4.7996 4.8051 4.8974 4.9016 4.9600 4.9664 4.9954 5.0154 5.0554 5.0746 5.0800 5.0906 5.4658 5.4659 5.4807 5.4898 5.6275 5.6528 5.8052 5.8174 6.3379 6.3525 6.3573 6.3682 6.5706 6.5808 7.1287 7.1422 7.9014 7.9023 9.1969 9.2130 10.5564 10.5638 10.6715 10.6721 12.5022 12.5097 12.6421 12.6491 k = 0.4833 0.5000-0.0000 ( 5248 PWs) bands (ev): -7.9433 -7.9433 -6.3622 -6.3571 -6.3511 -6.3503 -6.2975 -6.2932 -2.8146 -2.8143 0.6748 0.6780 1.5015 1.5042 1.5469 1.5473 2.1359 2.1382 2.1566 2.1571 2.7459 2.7460 2.8508 2.8530 3.2262 3.2309 3.2312 3.2325 3.3450 3.3487 3.4127 3.4130 4.7194 4.7219 4.7983 4.8012 4.8982 4.9003 4.9610 4.9645 4.9999 5.0102 5.0615 5.0713 5.0818 5.0870 5.4665 5.4666 5.4823 5.4871 5.6320 5.6447 5.8042 5.8103 6.3514 6.3589 6.3707 6.3763 6.5722 6.5775 7.1339 7.1408 7.8937 7.8941 9.1918 9.1997 10.5682 10.5717 10.6799 10.6801 12.5376 12.5430 12.6563 12.6603 k = 0.5000 0.5000-0.0000 ( 5248 PWs) bands (ev): -7.9427 -7.9427 -6.3564 -6.3564 -6.3497 -6.3497 -6.3006 -6.3006 -2.8140 -2.8140 0.6753 0.6753 1.5027 1.5027 1.5469 1.5469 2.1370 2.1370 2.1569 2.1569 2.7460 2.7460 2.8509 2.8509 3.2298 3.2298 3.2316 3.2316 3.3468 3.3468 3.4129 3.4129 4.7215 4.7215 4.7989 4.7989 4.8991 4.8991 4.9626 4.9626 5.0049 5.0049 5.0670 5.0670 5.0841 5.0841 5.4666 5.4666 5.4847 5.4847 5.6377 5.6377 5.8059 5.8059 6.3585 6.3585 6.3772 6.3772 6.5745 6.5745 7.1379 7.1379 7.8912 7.8912 9.1926 9.1926 10.5730 10.5730 10.6830 10.6830 12.5575 12.5575 12.6628 12.6628 k = 0.5000 0.5000-0.0000 ( 5248 PWs) bands (ev): -7.9427 -7.9427 -6.3564 -6.3564 -6.3497 -6.3497 -6.3006 -6.3006 -2.8140 -2.8140 0.6753 0.6753 1.5027 1.5027 1.5469 1.5469 2.1370 2.1370 2.1569 2.1569 2.7460 2.7460 2.8509 2.8509 3.2298 3.2298 3.2316 3.2316 3.3468 3.3468 3.4129 3.4129 4.7215 4.7215 4.7989 4.7989 4.8991 4.8991 4.9626 4.9626 5.0049 5.0049 5.0670 5.0670 5.0841 5.0841 5.4666 5.4666 5.4847 5.4847 5.6377 5.6377 5.8059 5.8059 6.3585 6.3585 6.3772 6.3772 6.5745 6.5745 7.1379 7.1379 7.8912 7.8912 9.1926 9.1926 10.5730 10.5730 10.6830 10.6830 12.5575 12.5575 12.6628 12.6628 k = 0.4884 0.4884-0.0000 ( 5248 PWs) bands (ev): -7.9433 -7.9433 -6.3617 -6.3567 -6.3517 -6.3504 -6.2976 -6.2932 -2.8145 -2.8143 0.6747 0.6780 1.5015 1.5041 1.5469 1.5472 2.1359 2.1382 2.1566 2.1571 2.7459 2.7460 2.8508 2.8529 3.2266 3.2298 3.2319 3.2325 3.3450 3.3487 3.4127 3.4130 4.7194 4.7219 4.7984 4.8012 4.8982 4.9003 4.9610 4.9645 4.9999 5.0102 5.0617 5.0711 5.0820 5.0869 5.4665 5.4667 5.4823 5.4871 5.6321 5.6446 5.8042 5.8102 6.3516 6.3588 6.3709 6.3763 6.5723 6.5774 7.1340 7.1407 7.8936 7.8940 9.1917 9.1996 10.5684 10.5718 10.6800 10.6801 12.5366 12.5426 12.6669 12.6683 k = 0.4767 0.4767-0.0000 ( 5252 PWs) bands (ev): -7.9451 -7.9449 -6.3723 -6.3654 -6.3515 -6.3500 -6.2865 -6.2800 -2.8160 -2.8156 0.6764 0.6829 1.5004 1.5058 1.5472 1.5478 2.1349 2.1393 2.1561 2.1571 2.7458 2.7460 2.8526 2.8568 3.2225 3.2273 3.2313 3.2341 3.3434 3.3505 3.4123 3.4131 4.7154 4.7208 4.8000 4.8047 4.8974 4.9016 4.9600 4.9666 4.9951 5.0155 5.0558 5.0729 5.0818 5.0900 5.4665 5.4667 5.4797 5.4892 5.6276 5.6526 5.8051 5.8173 6.3379 6.3519 6.3584 6.3691 6.5707 6.5806 7.1291 7.1424 7.9009 7.9017 9.1969 9.2125 10.5579 10.5649 10.6710 10.6711 12.4930 12.5026 12.6819 12.6842 k = 0.4651 0.4651-0.0000 ( 5250 PWs) bands (ev): -7.9479 -7.9477 -6.3847 -6.3776 -6.3495 -6.3482 -6.2718 -6.2643 -2.8185 -2.8178 0.6803 0.6900 1.4994 1.5077 1.5477 1.5485 2.1339 2.1404 2.1559 2.1570 2.7454 2.7457 2.8561 2.8625 3.2177 3.2239 3.2298 3.2349 3.3420 3.3523 3.4119 3.4132 4.7097 4.7186 4.8038 4.8089 4.8969 4.9030 4.9595 4.9687 4.9910 5.0211 5.0496 5.0721 5.0836 5.0933 5.4667 5.4667 5.4769 5.4912 5.6243 5.6618 5.8086 5.8271 6.3175 6.3370 6.3417 6.3574 6.5689 6.5830 7.1237 7.1433 7.9123 7.9133 9.2079 9.2313 10.5412 10.5521 10.6566 10.6566 12.4389 12.4505 12.7054 12.7085 k = 0.4535 0.4535-0.0000 ( 5250 PWs) bands (ev): -7.9519 -7.9517 -6.3971 -6.3901 -6.3467 -6.3455 -6.2558 -6.2477 -2.8219 -2.8210 0.6864 0.6992 1.4984 1.5097 1.5486 1.5494 2.1331 2.1411 2.1562 2.1572 2.7448 2.7451 2.8609 2.8695 3.2123 3.2199 3.2275 3.2348 3.3409 3.3538 3.4114 3.4133 4.7025 4.7153 4.8095 4.8133 4.8965 4.9045 4.9588 4.9708 4.9880 5.0271 5.0436 5.0703 5.0858 5.0966 5.4665 5.4671 5.4740 5.4930 5.6221 5.6723 5.8145 5.8395 6.2907 6.3145 6.3225 6.3429 6.5659 6.5836 7.1185 7.1439 7.9266 7.9275 9.2248 9.2558 10.5182 10.5333 10.6371 10.6373 12.3794 12.3923 12.7274 12.7276 k = 0.4419 0.4419-0.0000 ( 5248 PWs) bands (ev): -7.9570 -7.9567 -6.4089 -6.4020 -6.3431 -6.3418 -6.2392 -6.2307 -2.8262 -2.8252 0.6947 0.7107 1.4973 1.5118 1.5498 1.5504 2.1322 2.1410 2.1579 2.1579 2.7436 2.7439 2.8668 2.8777 3.2066 3.2156 3.2248 3.2339 3.3401 3.3551 3.4107 3.4135 4.6941 4.7111 4.8165 4.8176 4.8963 4.9059 4.9571 4.9728 4.9866 5.0335 5.0383 5.0684 5.0875 5.1001 5.4662 5.4679 5.4710 5.4947 5.6211 5.6838 5.8225 5.8545 6.2592 6.2862 6.3016 6.3262 6.5602 6.5815 7.1143 7.1448 7.9424 7.9431 9.2471 9.2856 10.4888 10.5085 10.6133 10.6138 12.3175 12.3310 12.7420 12.7433 k = 0.4302 0.4302-0.0000 ( 5248 PWs) bands (ev): -7.9633 -7.9629 -6.4197 -6.4129 -6.3387 -6.3374 -6.2224 -6.2136 -2.8316 -2.8304 0.7051 0.7243 1.4959 1.5139 1.5514 1.5515 2.1310 2.1398 2.1597 2.1616 2.7415 2.7418 2.8734 2.8867 3.2007 3.2113 3.2218 3.2324 3.3396 3.3561 3.4100 3.4137 4.6848 4.7062 4.8214 4.8244 4.8965 4.9071 4.9535 4.9744 4.9868 5.0350 5.0405 5.0664 5.0884 5.1036 5.4657 5.4676 5.4692 5.4962 5.6212 5.6965 5.8319 5.8717 6.2254 6.2542 6.2792 6.3075 6.5508 6.5758 7.1118 7.1465 7.9582 7.9586 9.2743 9.3200 10.4532 10.4777 10.5857 10.5865 12.2550 12.2686 12.7530 12.7555 k = 0.4186 0.4186-0.0000 ( 5240 PWs) bands (ev): -7.9706 -7.9702 -6.4291 -6.4225 -6.3335 -6.3322 -6.2059 -6.1968 -2.8381 -2.8367 0.7178 0.7401 1.4942 1.5159 1.5527 1.5533 2.1290 2.1374 2.1634 2.1675 2.7384 2.7384 2.8806 2.8961 3.1949 3.2075 3.2190 3.2304 3.3394 3.3566 3.4092 3.4142 4.6747 4.7006 4.8247 4.8327 4.8971 4.9081 4.9481 4.9758 4.9861 5.0357 5.0482 5.0645 5.0886 5.1074 5.4641 5.4650 5.4708 5.4976 5.6224 5.7103 5.8421 5.8911 6.1919 6.2206 6.2557 6.2874 6.5369 6.5659 7.1116 7.1498 7.9729 7.9729 9.3056 9.3584 10.4119 10.4414 10.5547 10.5557 12.1930 12.2064 12.7596 12.7637 k = 0.4070 0.4070-0.0000 ( 5246 PWs) bands (ev): -7.9791 -7.9787 -6.4371 -6.4306 -6.3276 -6.3262 -6.1896 -6.1803 -2.8456 -2.8440 0.7327 0.7581 1.4921 1.5175 1.5542 1.5555 2.1260 2.1340 2.1692 2.1755 2.7332 2.7336 2.8881 2.9058 3.1895 3.2046 3.2165 3.2280 3.3394 3.3568 3.4084 3.4148 4.6641 4.6943 4.8273 4.8405 4.8982 4.9089 4.9413 4.9769 4.9827 5.0413 5.0566 5.0626 5.0882 5.1116 5.4603 5.4639 5.4728 5.4990 5.6246 5.7251 5.8515 5.9120 6.1614 6.1874 6.2312 6.2661 6.5179 6.5517 7.1142 7.1549 7.9850 7.9853 9.3398 9.3995 10.3656 10.4004 10.5205 10.5215 12.1323 12.1451 12.7608 12.7668 k = 0.3953 0.3953-0.0000 ( 5258 PWs) bands (ev): -7.9886 -7.9881 -6.4434 -6.4371 -6.3210 -6.3195 -6.1739 -6.1644 -2.8542 -2.8526 0.7498 0.7782 1.4896 1.5186 1.5560 1.5582 2.1219 2.1297 2.1773 2.1854 2.7260 2.7271 2.8960 2.9156 3.1848 3.2028 3.2145 3.2256 3.3395 3.3564 3.4076 3.4156 4.6529 4.6875 4.8291 4.8474 4.8999 4.9094 4.9336 4.9767 4.9776 5.0511 5.0591 5.0670 5.0874 5.1165 5.4562 5.4624 5.4753 5.5004 5.6276 5.7405 5.8582 5.9334 6.1375 6.1572 6.2060 6.2442 6.4940 6.5331 7.1198 7.1621 7.9944 7.9947 9.3757 9.4420 10.3151 10.3556 10.4831 10.4838 12.0731 12.0852 12.7556 12.7639 k = 0.3837 0.3837-0.0000 ( 5257 PWs) bands (ev): -7.9992 -7.9987 -6.4479 -6.4418 -6.3137 -6.3122 -6.1587 -6.1491 -2.8641 -2.8623 0.7690 0.8004 1.4867 1.5192 1.5584 1.5613 2.1165 2.1244 2.1874 2.1969 2.7167 2.7187 2.9045 2.9257 3.1810 3.2022 3.2133 3.2233 3.3397 3.3557 3.4069 3.4166 4.6413 4.6802 4.8302 4.8528 4.9025 4.9093 4.9257 4.9691 4.9781 5.0558 5.0630 5.0772 5.0872 5.1225 5.4516 5.4604 5.4782 5.5019 5.6312 5.7560 5.8603 5.9532 6.1237 6.1335 6.1804 6.2218 6.4656 6.5105 7.1281 7.1713 8.0007 8.0009 9.4115 9.4844 10.2614 10.3081 10.4424 10.4428 12.0155 12.0269 12.7439 12.7546 k = 0.3721 0.3721-0.0000 ( 5257 PWs) bands (ev): -8.0107 -8.0102 -6.4507 -6.4447 -6.3058 -6.3041 -6.1442 -6.1344 -2.8752 -2.8732 0.7905 0.8248 1.4836 1.5191 1.5613 1.5647 2.1099 2.1182 2.1990 2.2096 2.7054 2.7083 2.9136 2.9361 3.1782 3.2028 3.2131 3.2214 3.3397 3.3546 3.4063 3.4178 4.6294 4.6725 4.8303 4.8566 4.9057 4.9069 4.9196 4.9609 4.9783 5.0516 5.0750 5.0838 5.0922 5.1304 5.4467 5.4579 5.4815 5.5035 5.6349 5.7699 5.8577 5.9677 6.1209 6.1214 6.1556 6.1997 6.4331 6.4844 7.1389 7.1824 8.0037 8.0038 9.4454 9.5250 10.2055 10.2590 10.3984 10.3985 11.9593 11.9699 12.7262 12.7391 k = 0.3605 0.3605-0.0000 ( 5253 PWs) bands (ev): -8.0232 -8.0227 -6.4515 -6.4456 -6.2972 -6.2955 -6.1304 -6.1206 -2.8875 -2.8855 0.8140 0.8512 1.4805 1.5186 1.5647 1.5684 2.1022 2.1109 2.2115 2.2227 2.6927 2.6965 2.9237 2.9471 3.1763 3.2043 3.2139 3.2204 3.3397 3.3532 3.4059 3.4191 4.6170 4.6644 4.8291 4.8589 4.9003 4.9091 4.9176 4.9525 4.9782 5.0464 5.0848 5.0857 5.1042 5.1405 5.4413 5.4547 5.4852 5.5054 5.6382 5.7781 5.8553 5.9735 6.1180 6.1225 6.1443 6.1792 6.3974 6.4555 7.1518 7.1951 8.0030 8.0037 9.4755 9.5617 10.1485 10.2094 10.3509 10.3511 11.9043 11.9141 12.7035 12.7186 k = 0.3488 0.3488-0.0000 ( 5235 PWs) bands (ev): -8.0366 -8.0361 -6.4504 -6.4446 -6.2881 -6.2862 -6.1175 -6.1076 -2.9011 -2.8991 0.8397 0.8797 1.4775 1.5178 1.5687 1.5724 2.0933 2.1025 2.2239 2.2352 2.6795 2.6841 2.9347 2.9588 3.1755 3.2060 3.2157 3.2208 3.3396 3.3515 3.4057 3.4207 4.6042 4.6559 4.8262 4.8601 4.8919 4.9124 4.9181 4.9445 4.9780 5.0406 5.0855 5.0945 5.1177 5.1528 5.4355 5.4508 5.4891 5.5075 5.6404 5.7747 5.8613 5.9722 6.0944 6.1290 6.1638 6.1697 6.3595 6.4245 7.1664 7.2091 7.9992 8.0005 9.4999 9.5927 10.0914 10.1604 10.3002 10.3007 11.8498 11.8589 12.6773 12.6942 k = 0.3372 0.3372-0.0000 ( 5229 PWs) bands (ev): -8.0508 -8.0503 -6.4473 -6.4417 -6.2784 -6.2765 -6.1054 -6.0955 -2.9161 -2.9140 0.8675 0.9101 1.4749 1.5169 1.5729 1.5765 2.0833 2.0930 2.2348 2.2456 2.6675 2.6724 2.9469 2.9713 3.1755 3.2075 3.2184 3.2227 3.3392 3.3495 3.4058 3.4224 4.5908 4.6467 4.8213 4.8603 4.8836 4.9149 4.9193 4.9370 4.9775 5.0344 5.0866 5.1015 5.1317 5.1666 5.4293 5.4461 5.4932 5.5100 5.6408 5.7608 5.8776 5.9695 6.0667 6.1166 6.1896 6.1952 6.3203 6.3920 7.1821 7.2241 7.9924 7.9946 9.5168 9.6159 10.0356 10.1128 10.2467 10.2472 11.7954 11.8040 12.6486 12.6670 k = 0.3256 0.3256-0.0000 ( 5217 PWs) bands (ev): -8.0657 -8.0652 -6.4423 -6.4368 -6.2682 -6.2662 -6.0941 -6.0843 -2.9325 -2.9303 0.8973 0.9424 1.4728 1.5162 1.5773 1.5806 2.0721 2.0824 2.2427 2.2523 2.6584 2.6631 2.9602 2.9848 3.1763 3.2087 3.2218 3.2262 3.3386 3.3475 3.4062 3.4241 4.5767 4.6366 4.8144 4.8601 4.8764 4.9164 4.9210 4.9303 4.9769 5.0284 5.0882 5.1074 5.1455 5.1806 5.4226 5.4408 5.4976 5.5127 5.6390 5.7424 5.9006 5.9700 6.0381 6.0950 6.2231 6.2336 6.2830 6.3589 7.1986 7.2396 7.9831 7.9861 9.5250 9.6291 9.9826 10.0674 10.1907 10.1910 11.7405 11.7487 12.6183 12.6379 k = 0.3140 0.3140-0.0000 ( 5233 PWs) bands (ev): -8.0813 -8.0808 -6.4354 -6.4300 -6.2575 -6.2555 -6.0838 -6.0739 -2.9502 -2.9481 0.9290 0.9766 1.4714 1.5160 1.5818 1.5847 2.0599 2.0707 2.2457 2.2536 2.6542 2.6580 2.9746 2.9993 3.1778 3.2100 3.2257 3.2306 3.3379 3.3455 3.4068 3.4258 4.5618 4.6251 4.8058 4.8596 4.8703 4.9168 4.9227 4.9247 4.9763 5.0227 5.0902 5.1126 5.1588 5.1940 5.4155 5.4347 5.5021 5.5156 5.6346 5.7233 5.9276 5.9759 6.0087 6.0712 6.2277 6.2751 6.2812 6.3275 7.2156 7.2555 7.9716 7.9755 9.5235 9.6304 9.9338 10.0245 10.1324 10.1325 11.6846 11.6926 12.5866 12.6066 k = 0.3023 0.3023-0.0000 ( 5237 PWs) bands (ev): -8.0974 -8.0970 -6.4267 -6.4213 -6.2465 -6.2444 -6.0743 -6.0646 -2.9693 -2.9672 0.9627 1.0125 1.4710 1.5162 1.5861 1.5885 2.0466 2.0580 2.2427 2.2481 2.6564 2.6588 2.9900 3.0148 3.1801 3.2117 3.2299 3.2355 3.3370 3.3435 3.4077 3.4276 4.5459 4.6117 4.7966 4.8590 4.8654 4.9162 4.9197 4.9254 4.9759 5.0179 5.0925 5.1176 5.1713 5.2060 5.4080 5.4282 5.5067 5.5187 5.6282 5.7055 5.9578 5.9789 5.9873 6.0471 6.1917 6.2833 6.3252 6.3339 7.2328 7.2714 7.9582 7.9631 9.5123 9.6185 9.8902 9.9838 10.0717 10.0727 11.6274 11.6354 12.5504 12.5539 k = 0.2907 0.2907-0.0000 ( 5229 PWs) bands (ev): -8.1140 -8.1136 -6.4161 -6.4108 -6.2351 -6.2330 -6.0658 -6.0561 -2.9897 -2.9876 0.9981 1.0500 1.4715 1.5171 1.5902 1.5920 2.0325 2.0442 2.2328 2.2354 2.6657 2.6663 3.0066 3.0311 3.1832 3.2139 3.2344 3.2406 3.3362 3.3417 3.4088 3.4295 4.5287 4.5960 4.7879 4.8584 4.8612 4.9149 4.9162 4.9281 4.9758 5.0141 5.0950 5.1224 5.1826 5.2162 5.4004 5.4213 5.5114 5.5220 5.6203 5.6899 5.9485 5.9909 5.9984 6.0282 6.1535 6.2525 6.3765 6.3831 7.2499 7.2872 7.9433 7.9490 9.4923 9.5937 9.8512 9.9444 10.0096 10.0120 11.5687 11.5768 12.4682 12.4705 k = 0.2791 0.2791-0.0000 ( 5229 PWs) bands (ev): -8.1309 -8.1305 -6.4038 -6.3986 -6.2234 -6.2212 -6.0581 -6.0485 -3.0114 -3.0094 1.0352 1.0890 1.4731 1.5187 1.5939 1.5951 2.0176 2.0296 2.2161 2.2161 2.6806 2.6818 3.0241 3.0484 3.1868 3.2166 3.2388 3.2456 3.3354 3.3401 3.4103 3.4313 4.5102 4.5775 4.7806 4.8574 4.8580 4.9131 4.9139 4.9309 4.9759 5.0113 5.0978 5.1272 5.1926 5.2241 5.3925 5.4145 5.5162 5.5255 5.6117 5.6769 5.9180 5.9841 6.0265 6.0378 6.1176 6.2197 6.4311 6.4379 7.2666 7.3026 7.9272 7.9337 9.4646 9.5582 9.8143 9.9041 9.9477 9.9513 11.5084 11.5167 12.3827 12.3845 k = 0.2674 0.2674-0.0000 ( 5229 PWs) bands (ev): -8.1481 -8.1477 -6.3899 -6.3848 -6.2115 -6.2093 -6.0512 -6.0418 -3.0344 -3.0325 1.0739 1.1294 1.4757 1.5210 1.5969 1.5975 2.0023 2.0143 2.1913 2.1938 2.7009 2.7035 3.0424 3.0663 3.1910 3.2197 3.2431 3.2504 3.3348 3.3390 3.4119 3.4332 4.4901 4.5559 4.7755 4.8541 4.8580 4.9113 4.9127 4.9340 4.9764 5.0095 5.1007 5.1321 5.2011 5.2296 5.3846 5.4079 5.5209 5.5291 5.6032 5.6664 5.8872 5.9566 6.0547 6.0645 6.0934 6.1872 6.4881 6.4954 7.2829 7.3174 7.9102 7.9174 9.4309 9.5154 9.7758 9.8575 9.8904 9.8921 11.4467 11.4552 12.2965 12.2978 k = 0.2558 0.2558-0.0000 ( 5239 PWs) bands (ev): -8.1654 -8.1651 -6.3746 -6.3695 -6.1994 -6.1972 -6.0451 -6.0359 -3.0586 -3.0567 1.1139 1.1710 1.4795 1.5239 1.5991 1.5992 1.9867 1.9984 2.1625 2.1671 2.7259 2.7297 3.0616 3.0849 3.1956 3.2231 3.2472 3.2551 3.3346 3.3385 3.4137 3.4350 4.4683 4.5312 4.7727 4.8514 4.8583 4.9102 4.9124 4.9373 4.9771 5.0086 5.1037 5.1370 5.2082 5.2325 5.3767 5.4018 5.5252 5.5327 5.5954 5.6585 5.8564 5.9260 6.0381 6.1048 6.1110 6.1554 6.5470 6.5548 7.2985 7.3316 7.8925 7.9003 9.3930 9.4682 9.7324 9.7994 9.8356 9.8422 11.3836 11.3925 12.2106 12.2114 k = 0.2442 0.2442-0.0000 ( 5243 PWs) bands (ev): -8.1827 -8.1824 -6.3578 -6.3528 -6.1872 -6.1850 -6.0398 -6.0309 -3.0838 -3.0821 1.1553 1.2135 1.4841 1.5272 1.5997 1.6004 1.9712 1.9821 2.1314 2.1375 2.7545 2.7591 3.0814 3.1039 3.2004 3.2264 3.2512 3.2596 3.3351 3.3387 3.4157 3.4368 4.4448 4.5038 4.7724 4.8494 4.8591 4.9100 4.9130 4.9407 4.9779 5.0086 5.1066 5.1421 5.2137 5.2330 5.3689 5.3963 5.5290 5.5364 5.5889 5.6528 5.8259 5.8936 6.0100 6.1243 6.1471 6.1476 6.6071 6.6156 7.3134 7.3450 7.8744 7.8826 9.3522 9.4189 9.6822 9.7351 9.7825 9.7977 11.3195 11.3286 12.1259 12.1263 k = 0.2326 0.2326-0.0000 ( 5239 PWs) bands (ev): -8.2000 -8.1997 -6.3398 -6.3349 -6.1749 -6.1727 -6.0353 -6.0266 -3.1101 -3.1084 1.1977 1.2568 1.4897 1.5309 1.5992 1.6005 1.9560 1.9656 2.0991 2.1063 2.7857 2.7907 3.1017 3.1230 3.2054 3.2296 3.2550 3.2639 3.3363 3.3398 3.4179 3.4387 4.4195 4.4738 4.7745 4.8484 4.8606 4.9113 4.9143 4.9443 4.9789 5.0094 5.1095 5.1472 5.2181 5.2314 5.3612 5.3915 5.5318 5.5401 5.5845 5.6492 5.7957 5.8601 5.9826 6.0941 6.1886 6.1924 6.6680 6.6772 7.3273 7.3574 7.8560 7.8645 9.3098 9.3688 9.6262 9.6690 9.7318 9.7521 11.2546 11.2639 12.0429 12.0429 k = 0.2209 0.2209-0.0000 ( 5245 PWs) bands (ev): -8.2171 -8.2169 -6.3207 -6.3159 -6.1627 -6.1605 -6.0314 -6.0229 -3.1372 -3.1357 1.2409 1.3006 1.4959 1.5347 1.5973 1.5993 1.9416 1.9490 2.0671 2.0745 2.8183 2.8235 3.1224 3.1418 3.2105 3.2323 3.2587 3.2680 3.3386 3.3420 3.4201 3.4404 4.3925 4.4418 4.7786 4.8485 4.8627 4.9141 4.9163 4.9480 4.9799 5.0111 5.1122 5.1521 5.2213 5.2282 5.3537 5.3873 5.5330 5.5437 5.5824 5.6470 5.7664 5.8262 5.9567 6.0647 6.2335 6.2393 6.7291 6.7391 7.3402 7.3687 7.8375 7.8462 9.2668 9.3191 9.5663 9.6026 9.6814 9.7042 11.1893 11.1986 11.9619 11.9621 k = 0.2093 0.2093-0.0000 ( 5243 PWs) bands (ev): -8.2339 -8.2337 -6.3007 -6.2960 -6.1505 -6.1483 -6.0281 -6.0199 -3.1649 -3.1636 1.2849 1.3446 1.5025 1.5382 1.5941 1.5965 1.9281 1.9322 2.0363 2.0432 2.8518 2.8568 3.1431 3.1597 3.2158 3.2345 3.2626 3.2719 3.3422 3.3454 3.4225 3.4422 4.3640 4.4080 4.7845 4.8499 4.8655 4.9185 4.9190 4.9517 4.9809 5.0136 5.1147 5.1567 5.2238 5.2241 5.3462 5.3835 5.5325 5.5473 5.5831 5.6456 5.7385 5.7926 5.9323 6.0361 6.2814 6.2882 6.7900 6.8006 7.3522 7.3791 7.8190 7.8276 9.2238 9.2704 9.5048 9.5369 9.6300 9.6535 11.1238 11.1330 11.8834 11.8839 k = 0.1977 0.1977-0.0000 ( 5243 PWs) bands (ev): -8.2503 -8.2501 -6.2800 -6.2754 -6.1385 -6.1363 -6.0253 -6.0175 -3.1932 -3.1920 1.3292 1.3884 1.5095 1.5410 1.5893 1.5920 1.9152 1.9159 2.0081 2.0133 2.8855 2.8901 3.1635 3.1758 3.2214 3.2361 3.2671 3.2758 3.3471 3.3501 3.4250 3.4439 4.3340 4.3729 4.7919 4.8528 4.8691 4.9223 4.9245 4.9556 4.9820 5.0170 5.1168 5.1604 5.2200 5.2257 5.3387 5.3800 5.5304 5.5509 5.5859 5.6438 5.7131 5.7599 5.9092 6.0083 6.3317 6.3389 6.8502 6.8614 7.3630 7.3883 7.8004 7.8088 9.1815 9.2232 9.4431 9.4722 9.5766 9.6003 11.0584 11.0674 11.8080 11.8087 k = 0.1860 0.1860-0.0000 ( 5239 PWs) bands (ev): -8.2663 -8.2661 -6.2587 -6.2543 -6.1267 -6.1246 -6.0231 -6.0157 -3.2219 -3.2208 1.3736 1.4312 1.5167 1.5429 1.5829 1.5858 1.8980 1.9052 1.9833 1.9855 2.9188 2.9229 3.1828 3.1889 3.2275 3.2374 3.2731 3.2801 3.3533 3.3559 3.4275 3.4457 4.3029 4.3368 4.8004 4.8573 4.8735 4.9261 4.9319 4.9595 4.9830 5.0213 5.1187 5.1627 5.2167 5.2273 5.3312 5.3765 5.5269 5.5541 5.5904 5.6390 5.6931 5.7289 5.8872 5.9813 6.3841 6.3914 6.9092 6.9209 7.3727 7.3963 7.7819 7.7899 9.1403 9.1778 9.3822 9.4092 9.5213 9.5448 10.9934 11.0020 11.7358 11.7367 k = 0.1744 0.1744-0.0000 ( 5243 PWs) bands (ev): -8.2817 -8.2816 -6.2371 -6.2327 -6.1152 -6.1131 -6.0213 -6.0143 -3.2506 -3.2496 1.4178 1.4711 1.5252 1.5435 1.5752 1.5781 1.8807 1.8961 1.9606 1.9628 2.9514 2.9549 3.1982 3.2000 3.2336 3.2384 3.2817 3.2855 3.3605 3.3629 3.4301 3.4474 4.2709 4.3001 4.8100 4.8633 4.8787 4.9306 4.9402 4.9634 4.9840 5.0267 5.1204 5.1628 5.2153 5.2287 5.3235 5.3730 5.5218 5.5566 5.5959 5.6275 5.6824 5.7004 5.8663 5.9549 6.4382 6.4452 6.9664 6.9786 7.3812 7.4032 7.7633 7.7708 9.1007 9.1346 9.3228 9.3481 9.4642 9.4873 10.9290 10.9372 11.6671 11.6682 k = 0.1628 0.1628-0.0000 ( 5233 PWs) bands (ev): -8.2965 -8.2964 -6.2153 -6.2111 -6.1041 -6.1020 -6.0200 -6.0133 -3.2792 -3.2784 1.4614 1.5012 1.5407 1.5423 1.5669 1.5689 1.8640 1.8886 1.9391 1.9465 2.9830 2.9858 3.2040 3.2135 3.2385 3.2398 3.2929 3.2935 3.3687 3.3707 3.4327 3.4490 4.2383 4.2631 4.8204 4.8709 4.8848 4.9356 4.9491 4.9675 4.9850 5.0334 5.1220 5.1605 5.2163 5.2302 5.3156 5.3693 5.5147 5.5567 5.6019 5.6117 5.6758 5.6801 5.8464 5.9293 6.4940 6.5005 7.0216 7.0340 7.3886 7.4089 7.7446 7.7513 9.0628 9.0935 9.2656 9.2895 9.4059 9.4284 10.8656 10.8732 11.6021 11.6033 k = 0.1512 0.1512-0.0000 ( 5237 PWs) bands (ev): -8.3106 -8.3105 -6.1936 -6.1896 -6.0934 -6.0914 -6.0189 -6.0127 -3.3076 -3.3068 1.5031 1.5132 1.5397 1.5525 1.5591 1.5758 1.8489 1.8824 1.9216 1.9341 3.0132 3.0152 3.2075 3.2217 3.2417 3.2422 3.3034 3.3081 3.3774 3.3792 3.4353 3.4507 4.2053 4.2261 4.8314 4.8798 4.8916 4.9411 4.9581 4.9716 4.9859 5.0413 5.1237 5.1560 5.2195 5.2318 5.3076 5.3653 5.5044 5.5507 5.5992 5.6079 5.6563 5.6823 5.8275 5.9045 6.5509 6.5567 7.0741 7.0867 7.3947 7.4134 7.7254 7.7314 9.0269 9.0549 9.2110 9.2336 9.3469 9.3688 10.8033 10.8103 11.5410 11.5422 k = 0.1395 0.1395-0.0000 ( 5229 PWs) bands (ev): -8.3239 -8.3238 -6.1721 -6.1683 -6.0831 -6.0812 -6.0182 -6.0124 -3.3353 -3.3347 1.5157 1.5292 1.5404 1.5425 1.5574 1.6114 1.8366 1.8774 1.9083 1.9248 3.0419 3.0432 3.2096 3.2250 3.2434 3.2451 3.3169 3.3241 3.3864 3.3882 3.4380 3.4523 4.1724 4.1895 4.8433 4.8898 4.8992 4.9473 4.9665 4.9759 4.9869 5.0506 5.1258 5.1503 5.2243 5.2334 5.2994 5.3611 5.4903 5.5356 5.5953 5.6136 5.6435 5.6865 5.8097 5.8806 6.6087 6.6138 7.1236 7.1362 7.3998 7.4169 7.7058 7.7109 8.9933 9.0188 9.1595 9.1809 9.2881 9.3091 10.7427 10.7488 11.4838 11.4851 k = 0.1279 0.1279-0.0000 ( 5229 PWs) bands (ev): -8.3364 -8.3363 -6.1512 -6.1476 -6.0735 -6.0716 -6.0176 -6.0123 -3.3621 -3.3616 1.5137 1.5243 1.5308 1.5325 1.5912 1.6481 1.8277 1.8733 1.8993 1.9180 3.0687 3.0695 3.2107 3.2255 3.2442 3.2473 3.3324 3.3405 3.3955 3.3974 3.4407 3.4539 4.1399 4.1537 4.8558 4.9003 4.9073 4.9542 4.9737 4.9802 4.9881 5.0610 5.1287 5.1439 5.2300 5.2348 5.2913 5.3566 5.4721 5.5149 5.5974 5.6180 5.6379 5.6917 5.7931 5.8577 6.6671 6.6715 7.1697 7.1822 7.4039 7.4193 7.6853 7.6894 8.9621 8.9852 9.1116 9.1317 9.2302 9.2502 10.6839 10.6892 11.4308 11.4321 k = 0.1163 0.1163-0.0000 ( 5237 PWs) bands (ev): -8.3480 -8.3479 -6.1311 -6.1276 -6.0644 -6.0626 -6.0173 -6.0124 -3.3878 -3.3875 1.5088 1.5154 1.5187 1.5208 1.6291 1.6829 1.8229 1.8702 1.8939 1.9131 3.0937 3.0939 3.2111 3.2247 3.2444 3.2483 3.3487 3.3564 3.4045 3.4067 3.4435 3.4554 4.1082 4.1190 4.8689 4.9109 4.9158 4.9617 4.9790 4.9848 4.9901 5.0722 5.1326 5.1373 5.2358 5.2362 5.2834 5.3517 5.4507 5.4920 5.6021 5.6212 5.6388 5.6974 5.7778 5.8358 6.7259 6.7295 7.2120 7.2243 7.4069 7.4207 7.6638 7.6670 8.9332 8.9541 9.0676 9.0863 9.1741 9.1930 10.6273 10.6318 11.3820 11.3833 k = 0.1047 0.1047-0.0000 ( 5249 PWs) bands (ev): -8.3586 -8.3586 -6.1119 -6.1087 -6.0560 -6.0543 -6.0171 -6.0127 -3.4122 -3.4119 1.5016 1.5050 1.5066 1.5089 1.6652 1.7147 1.8224 1.8683 1.8915 1.9097 3.1164 3.1165 3.2112 3.2235 3.2444 3.2486 3.3647 3.3713 3.4132 3.4160 3.4463 3.4570 4.0775 4.0858 4.8825 4.9210 4.9245 4.9699 4.9816 4.9900 4.9936 5.0836 5.1308 5.1378 5.2362 5.2426 5.2762 5.3465 5.4273 5.4685 5.6080 5.6245 5.6434 5.7032 5.7640 5.8152 6.7845 6.7874 7.2503 7.2622 7.4091 7.4213 7.6409 7.6432 8.9069 8.9253 9.0279 9.0450 9.1209 9.1383 10.5735 10.5771 11.3376 11.3389 k = 0.0930 0.0930-0.0000 ( 5241 PWs) bands (ev): -8.3683 -8.3682 -6.0940 -6.0910 -6.0483 -6.0466 -6.0169 -6.0130 -3.4349 -3.4347 1.4930 1.4940 1.4949 1.4974 1.6985 1.7421 1.8263 1.8678 1.8910 1.9075 3.1369 3.1372 3.2111 3.2219 3.2443 3.2485 3.3797 3.3847 3.4215 3.4250 3.4492 3.4585 4.0485 4.0546 4.8966 4.9304 4.9332 4.9785 4.9824 4.9964 4.9979 5.0947 5.1247 5.1441 5.2357 5.2490 5.2701 5.3410 5.4033 5.4449 5.6145 5.6287 5.6498 5.7089 5.7519 5.7961 6.8427 6.8449 7.2845 7.2957 7.4106 7.4212 7.6165 7.6179 8.8829 8.8985 8.9930 9.0081 9.0715 9.0870 10.5228 10.5255 11.2977 11.2988 k = 0.0814 0.0814-0.0000 ( 5237 PWs) bands (ev): -8.3769 -8.3769 -6.0775 -6.0748 -6.0414 -6.0398 -6.0168 -6.0134 -3.4557 -3.4555 1.4833 1.4834 1.4841 1.4862 1.7283 1.7639 1.8349 1.8690 1.8917 1.9061 3.1551 3.1554 3.2108 3.2202 3.2443 3.2480 3.3929 3.3963 3.4295 3.4338 3.4522 3.4601 4.0215 4.0258 4.9106 4.9386 4.9416 4.9822 4.9868 5.0021 5.0045 5.1049 5.1192 5.1509 5.2344 5.2552 5.2655 5.3352 5.3797 5.4215 5.6209 5.6330 5.6575 5.7143 5.7417 5.7788 6.9001 6.9016 7.3143 7.3247 7.4115 7.4205 7.5904 7.5911 8.8611 8.8738 8.9631 8.9759 9.0266 9.0402 10.4758 10.4778 11.2622 11.2633 k = 0.0698 0.0698-0.0000 ( 5239 PWs) bands (ev): -8.3844 -8.3844 -6.0628 -6.0604 -6.0353 -6.0338 -6.0166 -6.0138 -3.4742 -3.4742 1.4733 1.4735 1.4746 1.4758 1.7538 1.7798 1.8474 1.8720 1.8933 1.9053 3.1709 3.1711 3.2104 3.2185 3.2446 3.2477 3.4040 3.4059 3.4372 3.4421 3.4553 3.4618 3.9969 3.9997 4.9240 4.9458 4.9493 4.9814 4.9944 5.0060 5.0153 5.1140 5.1144 5.1571 5.2329 5.2609 5.2621 5.3291 5.3577 5.3984 5.6269 5.6366 5.6663 5.7190 5.7335 5.7634 6.9560 6.9571 7.3397 7.3492 7.4120 7.4195 7.5625 7.5626 8.8415 8.8509 8.9384 8.9486 8.9872 8.9985 10.4331 10.4345 11.2314 11.2323 k = 0.0581 0.0581-0.0000 ( 5243 PWs) bands (ev): -8.3908 -8.3908 -6.0501 -6.0480 -6.0300 -6.0286 -6.0164 -6.0142 -3.4904 -3.4904 1.4644 1.4646 1.4658 1.4663 1.7745 1.7907 1.8619 1.8768 1.8952 1.9049 3.1841 3.1842 3.2101 3.2168 3.2452 3.2476 3.4127 3.4135 3.4446 3.4496 3.4583 3.4633 3.9750 3.9767 4.9363 4.9519 4.9560 4.9802 5.0013 5.0098 5.0284 5.1106 5.1212 5.1611 5.2327 5.2598 5.2661 5.3227 5.3383 5.3757 5.6321 5.6390 5.6760 5.7228 5.7272 5.7502 7.0099 7.0106 7.3608 7.3691 7.4122 7.4183 7.5326 7.5330 8.8239 8.8301 8.9186 8.9261 8.9536 8.9626 10.3955 10.3963 11.2052 11.2060 k = 0.0465 0.0465-0.0000 ( 5227 PWs) bands (ev): -8.3961 -8.3961 -6.0397 -6.0380 -6.0254 -6.0241 -6.0160 -6.0144 -3.5040 -3.5040 1.4569 1.4571 1.4580 1.4582 1.7900 1.7985 1.8760 1.8832 1.8973 1.9047 3.1943 3.1948 3.2099 3.2153 3.2464 3.2479 3.4191 3.4194 3.4516 3.4561 3.4611 3.4649 3.9565 3.9574 4.9467 4.9572 4.9615 4.9787 5.0078 5.0133 5.0436 5.1081 5.1258 5.1614 5.2349 5.2588 5.2707 5.3161 5.3229 5.3537 5.6362 5.6405 5.6862 5.7229 5.7254 5.7395 7.0611 7.0614 7.3775 7.3846 7.4124 7.4171 7.5019 7.5025 8.8084 8.8119 8.9034 8.9086 8.9262 8.9330 10.3634 10.3639 11.1837 11.1844 k = 0.0349 0.0349-0.0000 ( 5227 PWs) bands (ev): -8.4003 -8.4003 -6.0319 -6.0308 -6.0213 -6.0203 -6.0154 -6.0144 -3.5148 -3.5147 1.4508 1.4510 1.4516 1.4516 1.8006 1.8041 1.8879 1.8902 1.8992 1.9046 3.2017 3.2024 3.2098 3.2138 3.2478 3.2486 3.4236 3.4236 3.4577 3.4613 3.4635 3.4662 3.9416 3.9420 4.9550 4.9616 4.9657 4.9768 5.0138 5.0166 5.0603 5.1072 5.1269 5.1570 5.2398 5.2600 5.2745 5.3095 5.3117 5.3324 5.6390 5.6410 5.6962 5.7202 5.7266 5.7313 7.1079 7.1081 7.3899 7.3955 7.4126 7.4160 7.4714 7.4722 8.7955 8.7971 8.8923 8.8955 8.9051 8.9099 10.3377 10.3379 11.1670 11.1675 k = 0.0233 0.0233-0.0000 ( 5221 PWs) bands (ev): -8.4032 -8.4032 -6.0271 -6.0267 -6.0175 -6.0170 -6.0147 -6.0141 -3.5225 -3.5225 1.4465 1.4466 1.4468 1.4469 1.8071 1.8081 1.8966 1.8967 1.9009 1.9044 3.2067 3.2074 3.2099 3.2126 3.2494 3.2496 3.4265 3.4265 3.4625 3.4650 3.4654 3.4671 3.9306 3.9307 4.9612 4.9652 4.9683 4.9747 5.0185 5.0195 5.0782 5.1082 5.1247 5.1472 5.2479 5.2638 5.2769 5.3028 5.3044 5.3126 5.6406 5.6412 5.7054 5.7189 5.7251 5.7265 7.1481 7.1482 7.3981 7.4020 7.4124 7.4148 7.4442 7.4450 8.7855 8.7860 8.8848 8.8866 8.8904 8.8934 10.3188 10.3189 11.1550 11.1554 k = 0.0116 0.0116-0.0000 ( 5221 PWs) bands (ev): -8.4050 -8.4050 -6.0248 -6.0247 -6.0148 -6.0147 -6.0141 -6.0139 -3.5273 -3.5273 1.4438 1.4439 1.4439 1.4440 1.8104 1.8106 1.9014 1.9018 1.9023 1.9040 3.2096 3.2100 3.2102 3.2115 3.2505 3.2505 3.4281 3.4281 3.4658 3.4668 3.4670 3.4676 3.9239 3.9239 4.9658 4.9679 4.9695 4.9723 5.0214 5.0216 5.0969 5.1111 5.1205 5.1328 5.2596 5.2692 5.2772 5.2910 5.3001 5.3007 5.6412 5.6413 5.7133 5.7187 5.7216 5.7239 7.1771 7.1771 7.4026 7.4045 7.4088 7.4099 7.4280 7.4283 8.7792 8.7793 8.8805 8.8813 8.8818 8.8833 10.3073 10.3073 11.1479 11.1481 k = 0.0000 0.0000 0.0000 ( 5257 PWs) bands (ev): -8.4056 -8.4056 -6.0241 -6.0241 -6.0138 -6.0138 -6.0138 -6.0138 -3.5289 -3.5289 1.4430 1.4430 1.4430 1.4430 1.8114 1.8114 1.9033 1.9033 1.9033 1.9033 3.2105 3.2105 3.2105 3.2105 3.2507 3.2507 3.4286 3.4286 3.4674 3.4674 3.4674 3.4674 3.9216 3.9216 4.9692 4.9692 4.9692 4.9692 5.0224 5.0224 5.1155 5.1155 5.1155 5.1155 5.2743 5.2743 5.2743 5.2743 5.2985 5.2985 5.6413 5.6413 5.7195 5.7195 5.7195 5.7195 7.1881 7.1881 7.4044 7.4044 7.4044 7.4044 7.4248 7.4248 8.7770 8.7770 8.8794 8.8794 8.8794 8.8794 10.3034 10.3034 11.1456 11.1456 k = 0.0000 0.0000 0.0000 ( 5257 PWs) bands (ev): -8.4056 -8.4056 -6.0241 -6.0241 -6.0138 -6.0138 -6.0138 -6.0138 -3.5289 -3.5289 1.4430 1.4430 1.4430 1.4430 1.8114 1.8114 1.9033 1.9033 1.9033 1.9033 3.2105 3.2105 3.2105 3.2105 3.2507 3.2507 3.4286 3.4286 3.4674 3.4674 3.4674 3.4674 3.9216 3.9216 4.9692 4.9692 4.9692 4.9692 5.0224 5.0224 5.1155 5.1155 5.1155 5.1155 5.2743 5.2743 5.2743 5.2743 5.2985 5.2985 5.6413 5.6413 5.7195 5.7195 5.7195 5.7195 7.1881 7.1881 7.4044 7.4044 7.4044 7.4044 7.4248 7.4248 8.7770 8.7770 8.8794 8.8794 8.8794 8.8794 10.3034 10.3034 11.1456 11.1456 k = 0.0096 0.0096 0.0096 ( 5221 PWs) bands (ev): -8.4050 -8.4050 -6.0247 -6.0247 -6.0146 -6.0146 -6.0142 -6.0140 -3.5272 -3.5272 1.4439 1.4439 1.4439 1.4440 1.8105 1.8105 1.9015 1.9015 1.9023 1.9041 3.2098 3.2098 3.2101 3.2116 3.2505 3.2505 3.4281 3.4281 3.4658 3.4669 3.4669 3.4675 3.9240 3.9240 4.9657 4.9686 4.9686 4.9724 5.0215 5.0215 5.0960 5.1159 5.1159 5.1335 5.2591 5.2730 5.2730 5.2922 5.3002 5.3002 5.6413 5.6413 5.7129 5.7203 5.7203 5.7240 7.1768 7.1768 7.4029 7.4051 7.4092 7.4092 7.4280 7.4280 8.7793 8.7793 8.8813 8.8813 8.8814 8.8832 10.3074 10.3074 11.1486 11.1487 k = 0.0192 0.0192 0.0192 ( 5221 PWs) bands (ev): -8.4032 -8.4032 -6.0267 -6.0267 -6.0169 -6.0169 -6.0153 -6.0148 -3.5224 -3.5224 1.4466 1.4468 1.4468 1.4468 1.8075 1.8075 1.8964 1.8964 1.9010 1.9046 3.2070 3.2070 3.2097 3.2127 3.2495 3.2495 3.4264 3.4264 3.4626 3.4656 3.4656 3.4660 3.9309 3.9309 4.9612 4.9665 4.9665 4.9750 5.0190 5.0190 5.0764 5.1169 5.1169 5.1474 5.2490 5.2697 5.2697 5.3048 5.3048 5.3114 5.6409 5.6409 5.7042 5.7227 5.7227 5.7263 7.1469 7.1469 7.4002 7.4046 7.4134 7.4134 7.4433 7.4433 8.7861 8.7861 8.8871 8.8871 8.8890 8.8926 10.3192 10.3192 11.1578 11.1581 k = 0.0288 0.0288 0.0288 ( 5221 PWs) bands (ev): -8.4001 -8.4001 -6.0306 -6.0306 -6.0201 -6.0201 -6.0171 -6.0163 -3.5144 -3.5144 1.4512 1.4515 1.4516 1.4516 1.8019 1.8019 1.8886 1.8886 1.8995 1.9050 3.2020 3.2020 3.2094 3.2140 3.2481 3.2481 3.4237 3.4237 3.4580 3.4631 3.4634 3.4634 3.9423 3.9423 4.9555 4.9630 4.9630 4.9772 5.0152 5.0152 5.0576 5.1182 5.1182 5.1532 5.2476 5.2652 5.2652 5.3114 5.3114 5.3315 5.6399 5.6399 5.6936 5.7265 5.7273 5.7273 7.1052 7.1052 7.3963 7.4031 7.4127 7.4127 7.4682 7.4682 8.7974 8.7974 8.8970 8.8970 8.9023 8.9075 10.3386 10.3386 11.1732 11.1737 k = 0.0385 0.0385 0.0385 ( 5233 PWs) bands (ev): -8.3959 -8.3959 -6.0370 -6.0370 -6.0236 -6.0236 -6.0194 -6.0184 -3.5033 -3.5033 1.4574 1.4577 1.4580 1.4580 1.7932 1.7932 1.8792 1.8792 1.8979 1.9052 3.1943 3.1943 3.2094 3.2154 3.2470 3.2470 3.4197 3.4197 3.4518 3.4587 3.4605 3.4605 3.9577 3.9577 4.9481 4.9582 4.9582 4.9791 5.0105 5.0105 5.0405 5.1194 5.1194 5.1493 5.2568 5.2601 5.2601 5.3193 5.3193 5.3520 5.6380 5.6380 5.6814 5.7249 5.7342 5.7342 7.0561 7.0561 7.3912 7.4004 7.4098 7.4098 7.4956 7.4956 8.8129 8.8129 8.9114 8.9114 8.9209 8.9278 10.3649 10.3649 11.1950 11.1955 k = 0.0481 0.0481 0.0481 ( 5239 PWs) bands (ev): -8.3904 -8.3904 -6.0458 -6.0458 -6.0272 -6.0272 -6.0224 -6.0211 -3.4894 -3.4894 1.4651 1.4654 1.4658 1.4658 1.7802 1.7802 1.8698 1.8698 1.8963 1.9055 3.1836 3.1836 3.2095 3.2171 3.2463 3.2463 3.4146 3.4146 3.4444 3.4529 3.4571 3.4571 3.9770 3.9770 4.9387 4.9520 4.9520 4.9806 5.0054 5.0054 5.0258 5.1203 5.1203 5.1389 5.2547 5.2547 5.2735 5.3285 5.3285 5.3729 5.6352 5.6352 5.6679 5.7216 5.7439 5.7439 7.0020 7.0020 7.3847 7.3964 7.4054 7.4054 7.5221 7.5221 8.8326 8.8326 8.9305 8.9305 8.9447 8.9530 10.3974 10.3974 11.2229 11.2234 k = 0.0577 0.0577 0.0577 ( 5233 PWs) bands (ev): -8.3838 -8.3838 -6.0568 -6.0568 -6.0310 -6.0310 -6.0259 -6.0244 -3.4728 -3.4728 1.4739 1.4742 1.4747 1.4747 1.7623 1.7623 1.8618 1.8618 1.8950 1.9060 3.1701 3.1701 3.2096 3.2188 3.2460 3.2460 3.4082 3.4082 3.4358 3.4460 3.4533 3.4533 3.9997 3.9997 4.9271 4.9449 4.9449 4.9818 5.0001 5.0001 5.0140 5.1207 5.1207 5.1255 5.2490 5.2490 5.2943 5.3389 5.3389 5.3939 5.6317 5.6317 5.6535 5.7172 5.7564 5.7564 6.9443 6.9443 7.3767 7.3910 7.3995 7.3995 7.5463 7.5463 8.8566 8.8566 8.9545 8.9545 8.9732 8.9829 10.4353 10.4353 11.2572 11.2575 k = 0.0673 0.0673 0.0673 ( 5236 PWs) bands (ev): -8.3761 -8.3761 -6.0697 -6.0697 -6.0352 -6.0352 -6.0300 -6.0283 -3.4537 -3.4537 1.4834 1.4838 1.4842 1.4842 1.7396 1.7396 1.8560 1.8560 1.8943 1.9070 3.1539 3.1539 3.2097 3.2205 3.2460 3.2460 3.4008 3.4008 3.4260 3.4380 3.4492 3.4492 4.0253 4.0253 4.9135 4.9370 4.9370 4.9825 4.9945 4.9945 5.0050 5.1111 5.1205 5.1205 5.2431 5.2431 5.3173 5.3500 5.3500 5.4147 5.6278 5.6278 5.6386 5.7120 5.7716 5.7716 6.8837 6.8837 7.3672 7.3841 7.3922 7.3922 7.5675 7.5675 8.8847 8.8847 8.9833 8.9833 9.0060 9.0170 10.4778 10.4778 11.2975 11.2976 k = 0.0769 0.0769 0.0769 ( 5236 PWs) bands (ev): -8.3672 -8.3672 -6.0841 -6.0841 -6.0400 -6.0400 -6.0347 -6.0327 -3.4324 -3.4324 1.4932 1.4935 1.4936 1.4936 1.7127 1.7127 1.8527 1.8527 1.8944 1.9089 3.1351 3.1351 3.2097 3.2222 3.2461 3.2461 3.3924 3.3924 3.4154 3.4290 3.4449 3.4449 4.0534 4.0534 4.8985 4.9285 4.9285 4.9827 4.9888 4.9888 4.9983 5.0969 5.1197 5.1197 5.2371 5.2371 5.3415 5.3616 5.3616 5.4353 5.6234 5.6241 5.6241 5.7065 5.7892 5.7892 6.8209 6.8209 7.3560 7.3756 7.3833 7.3833 7.5854 7.5854 8.9170 8.9170 9.0168 9.0168 9.0428 9.0548 10.5239 10.5239 11.3435 11.3435 k = 0.0865 0.0865 0.0865 ( 5236 PWs) bands (ev): -8.3573 -8.3573 -6.0999 -6.0999 -6.0451 -6.0451 -6.0399 -6.0377 -3.4092 -3.4092 1.5023 1.5023 1.5027 1.5030 1.6826 1.6826 1.8522 1.8522 1.8960 1.9121 3.1140 3.1140 3.2095 3.2236 3.2459 3.2459 3.3834 3.3834 3.4042 3.4195 3.4404 3.4404 4.0836 4.0836 4.8830 4.9199 4.9199 4.9821 4.9830 4.9830 4.9934 5.0837 5.1183 5.1183 5.2312 5.2312 5.3665 5.3733 5.3733 5.4553 5.6083 5.6213 5.6213 5.7013 5.8090 5.8090 6.7562 6.7562 7.3432 7.3655 7.3727 7.3727 7.5999 7.5999 8.9536 8.9536 9.0543 9.0543 9.0829 9.0958 10.5726 10.5726 11.3950 11.3950 k = 0.0962 0.0962 0.0962 ( 5233 PWs) bands (ev): -8.3464 -8.3464 -6.1168 -6.1168 -6.0508 -6.0508 -6.0456 -6.0432 -3.3843 -3.3843 1.5090 1.5090 1.5110 1.5114 1.6503 1.6503 1.8547 1.8547 1.8995 1.9171 3.0907 3.0907 3.2089 3.2247 3.2451 3.2451 3.3743 3.3743 3.3927 3.4095 3.4358 3.4358 4.1154 4.1154 4.8675 4.9115 4.9115 4.9769 4.9769 4.9807 4.9898 5.0719 5.1165 5.1165 5.2252 5.2252 5.3849 5.3849 5.3922 5.4742 5.5936 5.6198 5.6198 5.6972 5.8309 5.8309 6.6901 6.6901 7.3288 7.3537 7.3607 7.3607 7.6109 7.6109 8.9943 8.9943 9.0956 9.0956 9.1259 9.1395 10.6232 10.6232 11.4519 11.4519 k = 0.1058 0.1058 0.1058 ( 5230 PWs) bands (ev): -8.3344 -8.3344 -6.1346 -6.1346 -6.0569 -6.0569 -6.0518 -6.0492 -3.3581 -3.3581 1.5125 1.5125 1.5175 1.5181 1.6170 1.6170 1.8608 1.8608 1.9056 1.9246 3.0654 3.0654 3.2078 3.2253 3.2435 3.2435 3.3655 3.3655 3.3811 3.3995 3.4310 3.4310 4.1486 4.1486 4.8526 4.9033 4.9033 4.9706 4.9706 4.9783 4.9871 5.0619 5.1144 5.1144 5.2193 5.2193 5.3957 5.3957 5.4183 5.4916 5.5797 5.6204 5.6204 5.6949 5.8546 5.8546 6.6229 6.6229 7.3127 7.3404 7.3470 7.3470 7.6187 7.6187 9.0388 9.0388 9.1400 9.1400 9.1712 9.1854 10.6749 10.6749 11.5136 11.5136 k = 0.1154 0.1154 0.1154 ( 5230 PWs) bands (ev): -8.3215 -8.3215 -6.1531 -6.1531 -6.0634 -6.0634 -6.0584 -6.0556 -3.3308 -3.3308 1.5107 1.5107 1.5213 1.5222 1.5847 1.5847 1.8710 1.8710 1.9150 1.9351 3.0383 3.0383 3.2060 3.2251 3.2406 3.2406 3.3576 3.3576 3.3700 3.3897 3.4261 3.4261 4.1827 4.1827 4.8386 4.8957 4.8957 4.9641 4.9641 4.9748 4.9852 5.0541 5.1120 5.1120 5.2135 5.2135 5.4054 5.4054 5.4448 5.5068 5.5669 5.6236 5.6236 5.6953 5.8799 5.8799 6.5550 6.5550 7.2952 7.3255 7.3320 7.3320 7.6234 7.6234 9.0866 9.0866 9.1872 9.1872 9.2183 9.2328 10.7271 10.7271 11.5797 11.5797 k = 0.1250 0.1250 0.1250 ( 5224 PWs) bands (ev): -8.3078 -8.3078 -6.1722 -6.1722 -6.0704 -6.0704 -6.0654 -6.0624 -3.3029 -3.3029 1.5003 1.5003 1.5217 1.5232 1.5565 1.5565 1.8857 1.8857 1.9281 1.9492 3.0097 3.0097 3.2035 3.2239 3.2361 3.2361 3.3510 3.3510 3.3597 3.3805 3.4210 3.4210 4.2175 4.2175 4.8258 4.8887 4.8887 4.9574 4.9574 4.9703 4.9839 5.0484 5.1095 5.1095 5.2078 5.2078 5.4137 5.4137 5.4713 5.5192 5.5555 5.6297 5.6297 5.6994 5.9068 5.9068 6.4867 6.4867 7.2764 7.3091 7.3155 7.3155 7.6255 7.6255 9.1370 9.1370 9.2367 9.2367 9.2667 9.2814 10.7792 10.7792 11.6493 11.6493 k = 0.1346 0.1346 0.1346 ( 5227 PWs) bands (ev): -8.2932 -8.2932 -6.1915 -6.1915 -6.0777 -6.0777 -6.0728 -6.0696 -3.2746 -3.2746 1.4781 1.4781 1.5184 1.5205 1.5357 1.5357 1.9049 1.9049 1.9453 1.9670 2.9796 2.9796 3.1999 3.2215 3.2298 3.2298 3.3462 3.3462 3.3506 3.3722 3.4158 3.4158 4.2527 4.2527 4.8142 4.8826 4.8826 4.9504 4.9504 4.9650 4.9830 5.0446 5.1069 5.1069 5.2022 5.2022 5.4203 5.4203 5.4967 5.5283 5.5469 5.6391 5.6391 5.7076 5.9350 5.9350 6.4184 6.4184 7.2563 7.2914 7.2979 7.2979 7.6250 7.6250 9.1894 9.1894 9.2881 9.2881 9.3159 9.3308 10.8309 10.8309 11.7214 11.7214 k = 0.1442 0.1442 0.1442 ( 5227 PWs) bands (ev): -8.2779 -8.2779 -6.2110 -6.2110 -6.0853 -6.0853 -6.0805 -6.0771 -3.2462 -3.2462 1.4476 1.4476 1.5109 1.5139 1.5192 1.5192 1.9285 1.9285 1.9667 1.9888 2.9484 2.9484 3.1954 3.2176 3.2219 3.2219 3.3431 3.3433 3.3433 3.3650 3.4104 3.4104 4.2881 4.2881 4.8042 4.8773 4.8773 4.9434 4.9434 4.9595 4.9826 5.0424 5.1042 5.1042 5.1967 5.1967 5.4254 5.4254 5.5150 5.5342 5.5472 5.6517 5.6517 5.7203 5.9645 5.9645 6.3505 6.3505 7.2352 7.2725 7.2791 7.2791 7.6223 7.6223 9.2427 9.2427 9.3411 9.3411 9.3656 9.3803 10.8819 10.8819 11.7950 11.7950 k = 0.1538 0.1538 0.1538 ( 5233 PWs) bands (ev): -8.2618 -8.2618 -6.2304 -6.2304 -6.0932 -6.0932 -6.0885 -6.0850 -3.2181 -3.2181 1.4138 1.4138 1.4994 1.5024 1.5024 1.5032 1.9562 1.9562 1.9922 2.0145 2.9163 2.9163 3.1899 3.2124 3.2127 3.2127 3.3375 3.3421 3.3421 3.3592 3.4049 3.4049 4.3234 4.3234 4.7956 4.8730 4.8730 4.9362 4.9362 4.9540 4.9827 5.0414 5.1015 5.1015 5.1913 5.1913 5.4292 5.4292 5.5166 5.5373 5.5661 5.6673 5.6673 5.7368 5.9952 5.9952 6.2833 6.2833 7.2132 7.2526 7.2595 7.2595 7.6176 7.6176 9.2962 9.2962 9.3954 9.3954 9.4153 9.4298 10.9322 10.9322 11.8685 11.8685 k = 0.1635 0.1635 0.1635 ( 5221 PWs) bands (ev): -8.2452 -8.2452 -6.2496 -6.2496 -6.1014 -6.1014 -6.0967 -6.0931 -3.1905 -3.1905 1.3792 1.3792 1.4834 1.4834 1.4841 1.4887 1.9876 1.9876 2.0214 2.0438 2.8837 2.8837 3.1836 3.2027 3.2027 3.2060 3.3336 3.3423 3.3423 3.3548 3.3993 3.3993 4.3585 4.3585 4.7887 4.8697 4.8697 4.9290 4.9290 4.9491 4.9831 5.0414 5.0989 5.0989 5.1860 5.1860 5.4319 5.4319 5.5120 5.5386 5.5932 5.6856 5.6856 5.7568 6.0269 6.0269 6.2174 6.2174 7.1905 7.2318 7.2391 7.2391 7.6111 7.6111 9.3490 9.3490 9.4505 9.4505 9.4647 9.4789 10.9816 10.9816 11.9404 11.9404 k = 0.1731 0.1731 0.1731 ( 5233 PWs) bands (ev): -8.2281 -8.2281 -6.2683 -6.2683 -6.1098 -6.1098 -6.1052 -6.1015 -3.1637 -3.1637 1.3449 1.3449 1.4617 1.4617 1.4651 1.4706 2.0221 2.0221 2.0539 2.0764 2.8507 2.8507 3.1767 3.1923 3.1923 3.1986 3.3313 3.3435 3.3435 3.3517 3.3936 3.3936 4.3931 4.3931 4.7832 4.8673 4.8673 4.9217 4.9217 4.9447 4.9838 5.0420 5.0963 5.0963 5.1808 5.1808 5.4340 5.4340 5.5073 5.5388 5.6225 5.7063 5.7063 5.7794 6.0590 6.0590 6.1533 6.1533 7.1672 7.2103 7.2181 7.2181 7.6029 7.6029 9.4005 9.4005 9.5059 9.5059 9.5134 9.5273 11.0302 11.0302 12.0090 12.0090 k = 0.1827 0.1827 0.1827 ( 5233 PWs) bands (ev): -8.2105 -8.2105 -6.2864 -6.2864 -6.1184 -6.1184 -6.1138 -6.1100 -3.1381 -3.1381 1.3114 1.3114 1.4374 1.4374 1.4429 1.4492 2.0592 2.0592 2.0893 2.1119 2.8179 2.8179 3.1694 3.1820 3.1820 3.1909 3.3304 3.3457 3.3457 3.3498 3.3878 3.3878 4.4273 4.4273 4.7793 4.8659 4.8659 4.9144 4.9144 4.9411 4.9850 5.0432 5.0936 5.0936 5.1756 5.1756 5.4358 5.4358 5.5036 5.5384 5.6529 5.7290 5.7290 5.8041 6.0799 6.0799 6.1032 6.1032 7.1436 7.1883 7.1967 7.1967 7.5932 7.5932 9.4504 9.4504 9.5608 9.5608 9.5612 9.5747 11.0779 11.0779 12.0730 12.0730 k = 0.1923 0.1923 0.1923 ( 5242 PWs) bands (ev): -8.1926 -8.1926 -6.3038 -6.3038 -6.1271 -6.1271 -6.1226 -6.1187 -3.1139 -3.1139 1.2788 1.2788 1.4107 1.4107 1.4178 1.4247 2.0986 2.0986 2.1272 2.1498 2.7853 2.7853 3.1620 3.1721 3.1721 3.1831 3.3304 3.3483 3.3483 3.3489 3.3820 3.3820 4.4607 4.4607 4.7770 4.8653 4.8653 4.9071 4.9071 4.9384 4.9864 5.0447 5.0909 5.0909 5.1705 5.1705 5.4375 5.4375 5.5011 5.5381 5.6842 5.7533 5.7533 5.8305 6.0270 6.0270 6.1300 6.1300 7.1198 7.1659 7.1750 7.1750 7.5819 7.5819 9.4982 9.4982 9.6079 9.6145 9.6145 9.6208 11.1246 11.1246 12.1312 12.1312 k = 0.2019 0.2019 0.2019 ( 5248 PWs) bands (ev): -8.1744 -8.1744 -6.3203 -6.3203 -6.1359 -6.1359 -6.1315 -6.1275 -3.0913 -3.0913 1.2474 1.2474 1.3818 1.3818 1.3901 1.3976 2.1397 2.1397 2.1671 2.1897 2.7537 2.7537 3.1549 3.1630 3.1630 3.1756 3.3312 3.3488 3.3513 3.3513 3.3761 3.3761 4.4934 4.4934 4.7760 4.8653 4.8653 4.9000 4.9000 4.9366 4.9880 5.0465 5.0881 5.0881 5.1655 5.1655 5.4394 5.4394 5.5000 5.5381 5.7163 5.7787 5.7787 5.8582 5.9700 5.9700 6.1646 6.1646 7.0961 7.1434 7.1534 7.1534 7.5692 7.5692 9.5438 9.5438 9.6530 9.6654 9.6659 9.6659 11.1701 11.1701 12.1832 12.1832 k = 0.2115 0.2115 0.2115 ( 5236 PWs) bands (ev): -8.1561 -8.1561 -6.3358 -6.3358 -6.1448 -6.1448 -6.1405 -6.1364 -3.0705 -3.0705 1.2171 1.2171 1.3510 1.3510 1.3603 1.3682 2.1824 2.1824 2.2087 2.2313 2.7233 2.7233 3.1483 3.1548 3.1548 3.1688 3.3325 3.3494 3.3546 3.3546 3.3703 3.3703 4.5252 4.5252 4.7765 4.8658 4.8658 4.8933 4.8933 4.9357 4.9900 5.0486 5.0851 5.0851 5.1606 5.1606 5.4417 5.4417 5.5003 5.5389 5.7493 5.8038 5.8038 5.8872 5.9172 5.9172 6.2003 6.2003 7.0726 7.1208 7.1318 7.1318 7.5549 7.5549 9.5870 9.5870 9.6965 9.7083 9.7144 9.7144 11.2140 11.2140 12.2286 12.2286 k = 0.2212 0.2212 0.2212 ( 5235 PWs) bands (ev): -8.1378 -8.1378 -6.3502 -6.3502 -6.1538 -6.1538 -6.1494 -6.1453 -3.0518 -3.0518 1.1880 1.1880 1.3186 1.3186 1.3286 1.3368 2.2261 2.2261 2.2516 2.2743 2.6947 2.6947 3.1423 3.1477 3.1477 3.1629 3.3341 3.3506 3.3579 3.3579 3.3645 3.3645 4.5560 4.5560 4.7782 4.8660 4.8660 4.8874 4.8874 4.9355 4.9921 5.0508 5.0820 5.0820 5.1557 5.1557 5.4444 5.4444 5.5020 5.5406 5.7831 5.8203 5.8203 5.8773 5.8773 5.9171 6.2367 6.2367 7.0495 7.0985 7.1105 7.1105 7.5391 7.5391 9.6274 9.6274 9.7380 9.7492 9.7593 9.7593 11.2556 11.2556 12.2678 12.2678 k = 0.2308 0.2308 0.2308 ( 5229 PWs) bands (ev): -8.1195 -8.1195 -6.3634 -6.3634 -6.1627 -6.1627 -6.1584 -6.1543 -3.0352 -3.0352 1.1598 1.1598 1.2848 1.2848 1.2952 1.3038 2.2706 2.2706 2.2954 2.3182 2.6681 2.6681 3.1372 3.1419 3.1419 3.1579 3.3359 3.3520 3.3587 3.3587 3.3614 3.3614 4.5856 4.5856 4.7812 4.8647 4.8647 4.8835 4.8835 4.9361 4.9945 5.0532 5.0785 5.0785 5.1510 5.1510 5.4475 5.4475 5.5050 5.5432 5.7981 5.7981 5.8178 5.8810 5.8810 5.9479 6.2736 6.2736 7.0270 7.0765 7.0897 7.0897 7.5217 7.5217 9.6650 9.6650 9.7773 9.7879 9.7999 9.7999 11.2943 11.2943 12.3009 12.3009 k = 0.2404 0.2404 0.2404 ( 5232 PWs) bands (ev): -8.1013 -8.1013 -6.3752 -6.3752 -6.1716 -6.1716 -6.1674 -6.1632 -3.0208 -3.0208 1.1324 1.1324 1.2500 1.2500 1.2606 1.2693 2.3156 2.3156 2.3399 2.3627 2.6442 2.6442 3.1331 3.1374 3.1374 3.1540 3.3378 3.3531 3.3531 3.3538 3.3647 3.3647 4.6139 4.6139 4.7852 4.8606 4.8606 4.8829 4.8829 4.9373 4.9969 5.0557 5.0746 5.0746 5.1465 5.1465 5.4510 5.4510 5.5091 5.5468 5.7578 5.7578 5.8534 5.9078 5.9078 5.9796 6.3108 6.3108 7.0052 7.0550 7.0696 7.0696 7.5025 7.5025 9.6994 9.6994 9.8141 9.8240 9.8357 9.8357 11.3293 11.3293 12.3286 12.3286 k = 0.2500 0.2500 0.2500 ( 5226 PWs) bands (ev): -8.0835 -8.0835 -6.3856 -6.3856 -6.1805 -6.1805 -6.1762 -6.1721 -3.0089 -3.0089 1.1056 1.1056 1.2143 1.2143 1.2250 1.2337 2.3608 2.3608 2.3847 2.4076 2.6234 2.6234 3.1300 3.1342 3.1342 3.1513 3.3396 3.3475 3.3475 3.3557 3.3678 3.3678 4.6408 4.6408 4.7903 4.8544 4.8544 4.8847 4.8847 4.9392 4.9994 5.0583 5.0704 5.0704 5.1422 5.1422 5.4546 5.4546 5.5144 5.5516 5.7186 5.7186 5.8899 5.9391 5.9391 6.0121 6.3482 6.3482 6.9844 7.0343 7.0502 7.0502 7.4814 7.4814 9.7303 9.7303 9.8481 9.8572 9.8665 9.8665 11.3597 11.3597 12.3509 12.3509 k = 0.2596 0.2596 0.2596 ( 5235 PWs) bands (ev): -8.0659 -8.0659 -6.3945 -6.3945 -6.1892 -6.1892 -6.1850 -6.1809 -2.9993 -2.9993 1.0792 1.0792 1.1781 1.1781 1.1886 1.1973 2.4058 2.4058 2.4295 2.4525 2.6062 2.6062 3.1281 3.1323 3.1323 3.1497 3.3414 3.3420 3.3420 3.3576 3.3708 3.3708 4.6658 4.6658 4.7963 4.8472 4.8472 4.8878 4.8878 4.9414 5.0020 5.0610 5.0656 5.0656 5.1381 5.1381 5.4580 5.4580 5.5206 5.5573 5.6834 5.6834 5.9275 5.9725 5.9725 6.0454 6.3858 6.3858 6.9646 7.0144 7.0317 7.0317 7.4583 7.4583 9.7573 9.7573 9.8789 9.8874 9.8920 9.8920 11.3852 11.3852 12.3683 12.3683 k = 0.2692 0.2692 0.2692 ( 5235 PWs) bands (ev): -8.0489 -8.0489 -6.4019 -6.4019 -6.1978 -6.1978 -6.1936 -6.1895 -2.9922 -2.9922 1.0529 1.0529 1.1417 1.1417 1.1517 1.1604 2.4503 2.4503 2.4741 2.4971 2.5930 2.5930 3.1273 3.1318 3.1318 3.1493 3.3366 3.3366 3.3432 3.3595 3.3736 3.3736 4.6888 4.6888 4.8032 4.8396 4.8396 4.8916 4.8916 4.9441 5.0045 5.0605 5.0605 5.0639 5.1345 5.1345 5.4609 5.4609 5.5276 5.5641 5.6534 5.6534 5.9662 6.0073 6.0073 6.0795 6.4234 6.4234 6.9461 6.9956 7.0143 7.0143 7.4331 7.4331 9.7800 9.7800 9.9063 9.9122 9.9122 9.9140 11.4053 11.4053 12.3808 12.3808 k = 0.2788 0.2788 0.2788 ( 5235 PWs) bands (ev): -8.0324 -8.0324 -6.4077 -6.4077 -6.2063 -6.2063 -6.2021 -6.1980 -2.9875 -2.9875 1.0264 1.0264 1.1054 1.1054 1.1146 1.1232 2.4937 2.4937 2.5182 2.5412 2.5844 2.5844 3.1277 3.1326 3.1326 3.1501 3.3314 3.3314 3.3448 3.3615 3.3761 3.3761 4.7090 4.7090 4.8109 4.8323 4.8323 4.8960 4.8960 4.9470 5.0070 5.0551 5.0551 5.0669 5.1313 5.1313 5.4625 5.4625 5.5352 5.5718 5.6293 5.6293 6.0060 6.0435 6.0435 6.1143 6.4610 6.4610 6.9291 6.9780 6.9982 6.9982 7.4056 7.4056 9.7978 9.7978 9.9272 9.9272 9.9299 9.9369 11.4205 11.4205 12.3885 12.3885 k = 0.2885 0.2885 0.2885 ( 5250 PWs) bands (ev): -8.0165 -8.0165 -6.4120 -6.4120 -6.2146 -6.2146 -6.2104 -6.2064 -2.9851 -2.9851 0.9995 0.9995 1.0693 1.0693 1.0775 1.0859 2.5347 2.5347 2.5615 2.5819 2.5819 2.5846 3.1292 3.1347 3.1347 3.1519 3.3263 3.3263 3.3463 3.3634 3.3784 3.3784 4.7255 4.7255 4.8192 4.8261 4.8261 4.9006 4.9006 4.9502 5.0094 5.0495 5.0495 5.0699 5.1283 5.1283 5.4624 5.4624 5.5431 5.5802 5.6115 5.6115 6.0469 6.0810 6.0810 6.1500 6.4983 6.4983 6.9136 6.9618 6.9835 6.9835 7.3757 7.3757 9.8104 9.8104 9.9372 9.9372 9.9494 9.9556 11.4311 11.4311 12.3910 12.3910 k = 0.2981 0.2981 0.2981 ( 5244 PWs) bands (ev): -8.0013 -8.0013 -6.4146 -6.4146 -6.2227 -6.2227 -6.2184 -6.2145 -2.9849 -2.9849 0.9719 0.9719 1.0339 1.0339 1.0406 1.0488 2.5649 2.5649 2.5938 2.5938 2.6038 2.6268 3.1319 3.1381 3.1381 3.1549 3.3214 3.3214 3.3478 3.3652 3.3804 3.3804 4.7369 4.7369 4.8223 4.8223 4.8283 4.9058 4.9058 4.9535 5.0118 5.0441 5.0441 5.0733 5.1258 5.1258 5.4603 5.4603 5.5513 5.5892 5.6004 5.6004 6.0892 6.1197 6.1197 6.1865 6.5354 6.5354 6.8997 6.9472 6.9702 6.9702 7.3432 7.3432 9.8174 9.8174 9.9426 9.9426 9.9644 9.9699 11.4383 11.4383 12.3881 12.3881 k = 0.3077 0.3077 0.3077 ( 5232 PWs) bands (ev): -7.9869 -7.9869 -6.4157 -6.4157 -6.2305 -6.2305 -6.2263 -6.2224 -2.9869 -2.9869 0.9437 0.9437 0.9994 0.9994 1.0042 1.0121 2.5768 2.5768 2.6273 2.6273 2.6448 2.6678 3.1357 3.1427 3.1427 3.1588 3.3167 3.3167 3.3491 3.3669 3.3821 3.3821 4.7416 4.7416 4.8221 4.8221 4.8378 4.9114 4.9114 4.9568 5.0141 5.0390 5.0390 5.0768 5.1237 5.1237 5.4568 5.4568 5.5596 5.5951 5.5951 5.5986 6.1327 6.1597 6.1597 6.2238 6.5720 6.5720 6.8877 6.9343 6.9586 6.9586 7.3080 7.3080 9.8184 9.8184 9.9437 9.9437 9.9748 9.9795 11.4430 11.4430 12.3791 12.3791 k = 0.3173 0.3173 0.3173 ( 5244 PWs) bands (ev): -7.9733 -7.9733 -6.4154 -6.4154 -6.2381 -6.2381 -6.2338 -6.2301 -2.9908 -2.9908 0.9147 0.9147 0.9658 0.9658 0.9683 0.9760 2.5874 2.5874 2.6650 2.6650 2.6843 2.7073 3.1406 3.1483 3.1483 3.1635 3.3122 3.3122 3.3505 3.3685 3.3836 3.3836 4.7396 4.7396 4.8254 4.8254 4.8478 4.9175 4.9175 4.9600 5.0162 5.0345 5.0345 5.0804 5.1218 5.1218 5.4526 5.4526 5.5675 5.5943 5.5943 5.6080 6.1774 6.2008 6.2008 6.2620 6.6080 6.6080 6.8775 6.9231 6.9486 6.9486 7.2701 7.2701 9.8134 9.8134 9.9407 9.9407 9.9801 9.9841 11.4465 11.4465 12.3632 12.3632 k = 0.3269 0.3269 0.3269 ( 5250 PWs) bands (ev): -7.9606 -7.9606 -6.4136 -6.4136 -6.2454 -6.2454 -6.2411 -6.2375 -2.9965 -2.9965 0.8851 0.8851 0.9333 0.9334 0.9334 0.9406 2.6015 2.6015 2.7021 2.7021 2.7220 2.7449 3.1464 3.1549 3.1549 3.1690 3.3079 3.3079 3.3518 3.3700 3.3849 3.3849 4.7327 4.7327 4.8306 4.8306 4.8582 4.9243 4.9243 4.9632 5.0183 5.0308 5.0308 5.0842 5.1201 5.1201 5.4488 5.4488 5.5751 5.5968 5.5968 5.6174 6.2233 6.2431 6.2431 6.3010 6.6433 6.6433 6.8693 6.9139 6.9404 6.9404 7.2294 7.2294 9.8028 9.8028 9.9338 9.9338 9.9804 9.9836 11.4498 11.4498 12.3397 12.3397 k = 0.3365 0.3365 0.3365 ( 5244 PWs) bands (ev): -7.9487 -7.9487 -6.4105 -6.4105 -6.2524 -6.2524 -6.2481 -6.2446 -3.0039 -3.0039 0.8552 0.8552 0.8993 0.9020 0.9020 0.9063 2.6194 2.6194 2.7376 2.7376 2.7578 2.7807 3.1531 3.1625 3.1625 3.1752 3.3040 3.3040 3.3533 3.3715 3.3860 3.3860 4.7227 4.7227 4.8357 4.8357 4.8688 4.9317 4.9317 4.9662 5.0203 5.0279 5.0279 5.0882 5.1187 5.1187 5.4465 5.4465 5.5821 5.6013 5.6013 5.6264 6.2703 6.2865 6.2865 6.3408 6.6778 6.6778 6.8630 6.9067 6.9341 6.9341 7.1860 7.1860 9.7871 9.7871 9.9232 9.9232 9.9755 9.9779 11.4537 11.4537 12.3080 12.3080 k = 0.3462 0.3462 0.3462 ( 5238 PWs) bands (ev): -7.9378 -7.9378 -6.4061 -6.4061 -6.2591 -6.2591 -6.2547 -6.2514 -3.0126 -3.0126 0.8253 0.8253 0.8664 0.8715 0.8715 0.8731 2.6410 2.6410 2.7712 2.7712 2.7915 2.8144 3.1607 3.1707 3.1707 3.1819 3.3003 3.3003 3.3548 3.3729 3.3869 3.3869 4.7113 4.7113 4.8399 4.8399 4.8798 4.9395 4.9395 4.9691 5.0223 5.0260 5.0260 5.0923 5.1173 5.1173 5.4460 5.4460 5.5884 5.6069 5.6069 5.6348 6.3184 6.3309 6.3309 6.3813 6.7112 6.7112 6.8586 6.9015 6.9296 6.9296 7.1399 7.1399 9.7672 9.7672 9.9087 9.9087 9.9653 9.9671 11.4587 11.4587 12.2681 12.2681 k = 0.3558 0.3558 0.3558 ( 5232 PWs) bands (ev): -7.9277 -7.9277 -6.4007 -6.4007 -6.2655 -6.2655 -6.2611 -6.2579 -3.0224 -3.0224 0.7959 0.7959 0.8349 0.8412 0.8420 0.8420 2.6660 2.6660 2.8027 2.8027 2.8230 2.8458 3.1689 3.1796 3.1796 3.1888 3.2971 3.2971 3.3567 3.3744 3.3877 3.3877 4.6991 4.6991 4.8427 4.8427 4.8908 4.9475 4.9475 4.9717 5.0243 5.0250 5.0250 5.0964 5.1160 5.1160 5.4478 5.4478 5.5940 5.6129 5.6129 5.6423 6.3673 6.3760 6.3760 6.4223 6.7436 6.7436 6.8562 6.8984 6.9269 6.9269 7.0913 7.0913 9.7438 9.7438 9.8905 9.8905 9.9501 9.9512 11.4653 11.4653 12.2206 12.2206 k = 0.3654 0.3654 0.3654 ( 5232 PWs) bands (ev): -7.9186 -7.9186 -6.3944 -6.3944 -6.2715 -6.2715 -6.2670 -6.2640 -3.0332 -3.0332 0.7673 0.7673 0.8048 0.8107 0.8135 0.8135 2.6937 2.6937 2.8320 2.8320 2.8522 2.8749 3.1776 3.1888 3.1888 3.1959 3.2941 3.2941 3.3588 3.3759 3.3884 3.3884 4.6869 4.6869 4.8442 4.8442 4.9019 4.9552 4.9552 4.9742 5.0247 5.0247 5.0263 5.1004 5.1146 5.1146 5.4519 5.4519 5.5989 5.6188 5.6188 5.6488 6.4167 6.4217 6.4217 6.4638 6.7746 6.7746 6.8555 6.8973 6.9260 6.9260 7.0404 7.0404 9.7180 9.7180 9.8687 9.8687 9.9301 9.9306 11.4735 11.4735 12.1669 12.1669 k = 0.3750 0.3750 0.3750 ( 5244 PWs) bands (ev): -7.9103 -7.9103 -6.3873 -6.3873 -6.2771 -6.2771 -6.2726 -6.2698 -3.0447 -3.0447 0.7397 0.7397 0.7762 0.7818 0.7859 0.7859 2.7236 2.7236 2.8590 2.8590 2.8790 2.9016 3.1865 3.1980 3.1980 3.2029 3.2915 3.2915 3.3614 3.3775 3.3891 3.3891 4.6750 4.6750 4.8445 4.8445 4.9127 4.9623 4.9623 4.9764 5.0253 5.0253 5.0285 5.1042 5.1131 5.1131 5.4584 5.4584 5.6029 5.6243 5.6243 5.6542 6.4665 6.4677 6.4677 6.5053 6.8042 6.8042 6.8566 6.8983 6.9267 6.9267 6.9877 6.9877 9.6906 9.6906 9.8436 9.8436 9.9056 9.9056 11.4833 11.4833 12.1088 12.1088 k = 0.3846 0.3846 0.3846 ( 5238 PWs) bands (ev): -7.9028 -7.9028 -6.3796 -6.3796 -6.2824 -6.2824 -6.2779 -6.2752 -3.0565 -3.0565 0.7135 0.7135 0.7494 0.7545 0.7594 0.7594 2.7550 2.7550 2.8838 2.8838 2.9035 2.9259 3.1956 3.2071 3.2071 3.2097 3.2895 3.2895 3.3644 3.3794 3.3898 3.3898 4.6638 4.6638 4.8440 4.8440 4.9235 4.9688 4.9688 4.9784 5.0266 5.0266 5.0310 5.1080 5.1117 5.1117 5.4672 5.4672 5.6062 5.6294 5.6294 5.6582 6.5134 6.5134 6.5160 6.5467 6.8320 6.8320 6.8593 6.9012 6.9258 6.9258 6.9371 6.9371 9.6624 9.6624 9.8157 9.8157 9.8768 9.8773 11.4945 11.4945 12.0482 12.0482 k = 0.3942 0.3942 0.3942 ( 5235 PWs) bands (ev): -7.8962 -7.8962 -6.3716 -6.3716 -6.2873 -6.2873 -6.2827 -6.2802 -3.0686 -3.0686 0.6888 0.6888 0.7243 0.7291 0.7343 0.7343 2.7873 2.7873 2.9065 2.9065 2.9258 2.9478 3.2044 3.2157 3.2157 3.2160 3.2880 3.2880 3.3679 3.3814 3.3907 3.3907 4.6535 4.6535 4.8427 4.8427 4.9337 4.9742 4.9742 4.9802 5.0285 5.0285 5.0338 5.1102 5.1102 5.1114 5.4783 5.4783 5.6089 5.6338 5.6338 5.6610 6.5584 6.5584 6.5649 6.5872 6.8569 6.8569 6.8637 6.8779 6.8779 6.9060 6.9354 6.9354 9.6338 9.6338 9.7857 9.7857 9.8449 9.8457 11.5067 11.5067 11.9873 11.9873 k = 0.4038 0.4038 0.4038 ( 5244 PWs) bands (ev): -7.8904 -7.8904 -6.3634 -6.3634 -6.2918 -6.2918 -6.2871 -6.2848 -3.0806 -3.0806 0.6658 0.6658 0.7012 0.7055 0.7106 0.7106 2.8197 2.8197 2.9271 2.9271 2.9458 2.9673 3.2128 3.2216 3.2233 3.2233 3.2872 3.2872 3.3719 3.3837 3.3918 3.3918 4.6444 4.6444 4.8409 4.8409 4.9433 4.9785 4.9785 4.9818 5.0309 5.0309 5.0371 5.1086 5.1086 5.1142 5.4913 5.4913 5.6110 5.6374 5.6374 5.6625 6.6021 6.6021 6.6123 6.6264 6.8202 6.8202 6.8696 6.8827 6.8827 6.9126 6.9417 6.9417 9.6056 9.6056 9.7543 9.7543 9.8106 9.8117 11.5197 11.5197 11.9276 11.9276 k = 0.4135 0.4135 0.4135 ( 5247 PWs) bands (ev): -7.8852 -7.8852 -6.3553 -6.3553 -6.2958 -6.2958 -6.2911 -6.2890 -3.0923 -3.0923 0.6446 0.6446 0.6800 0.6839 0.6885 0.6885 2.8515 2.8515 2.9458 2.9458 2.9637 2.9845 3.2204 3.2266 3.2299 3.2299 3.2871 3.2871 3.3763 3.3863 3.3931 3.3931 4.6366 4.6366 4.8386 4.8386 4.9521 4.9818 4.9818 4.9832 5.0338 5.0338 5.0411 5.1070 5.1070 5.1166 5.5060 5.5060 5.6128 5.6403 5.6403 5.6628 6.6436 6.6436 6.6574 6.6636 6.7650 6.7650 6.8771 6.9039 6.9039 6.9210 6.9504 6.9504 9.5778 9.5778 9.7225 9.7225 9.7748 9.7761 11.5330 11.5330 11.8705 11.8705 k = 0.4231 0.4231 0.4231 ( 5250 PWs) bands (ev): -7.8808 -7.8808 -6.3474 -6.3474 -6.2995 -6.2995 -6.2947 -6.2929 -3.1034 -3.1034 0.6252 0.6252 0.6608 0.6644 0.6683 0.6683 2.8817 2.8817 2.9628 2.9628 2.9797 2.9994 3.2271 3.2308 3.2351 3.2351 3.2877 3.2877 3.3810 3.3892 3.3947 3.3947 4.6300 4.6300 4.8360 4.8360 4.9599 4.9841 4.9841 4.9844 5.0369 5.0369 5.0457 5.1055 5.1055 5.1183 5.5221 5.5221 5.6143 5.6425 5.6425 5.6619 6.6806 6.6806 6.6981 6.6992 6.7122 6.7122 6.8864 6.9224 6.9224 6.9309 6.9614 6.9614 9.5510 9.5510 9.6914 9.6914 9.7387 9.7400 11.5463 11.5463 11.8173 11.8173 k = 0.4327 0.4327 0.4327 ( 5244 PWs) bands (ev): -7.8770 -7.8770 -6.3399 -6.3399 -6.3026 -6.3026 -6.2979 -6.2963 -3.1138 -3.1138 0.6080 0.6080 0.6438 0.6469 0.6500 0.6500 2.9095 2.9095 2.9783 2.9783 2.9938 3.0122 3.2328 3.2344 3.2391 3.2391 3.2889 3.2889 3.3859 3.3923 3.3965 3.3965 4.6248 4.6248 4.8333 4.8333 4.9666 4.9854 4.9856 4.9856 5.0401 5.0401 5.0512 5.1041 5.1041 5.1192 5.5393 5.5393 5.6158 5.6441 5.6441 5.6601 6.6557 6.6557 6.7197 6.7197 6.7291 6.7364 6.8979 6.9383 6.9383 6.9423 6.9742 6.9742 9.5251 9.5251 9.6620 9.6620 9.7031 9.7045 11.5590 11.5590 11.7688 11.7688 k = 0.4423 0.4423 0.4423 ( 5262 PWs) bands (ev): -7.8738 -7.8738 -6.3331 -6.3331 -6.3053 -6.3053 -6.3007 -6.2992 -3.1233 -3.1233 0.5928 0.5928 0.6290 0.6317 0.6340 0.6340 2.9341 2.9341 2.9926 2.9926 3.0061 3.0229 3.2373 3.2374 3.2418 3.2418 3.2904 3.2904 3.3906 3.3955 3.3985 3.3985 4.6208 4.6208 4.8305 4.8305 4.9720 4.9861 4.9865 4.9865 5.0430 5.0430 5.0574 5.1027 5.1027 5.1192 5.5568 5.5568 5.6173 5.6450 5.6450 5.6574 6.6065 6.6065 6.7500 6.7500 6.7560 6.7676 6.9118 6.9520 6.9520 6.9545 6.9881 6.9881 9.5007 9.5007 9.6353 9.6353 9.6692 9.6705 11.5708 11.5708 11.7258 11.7258 k = 0.4519 0.4519 0.4519 ( 5244 PWs) bands (ev): -7.8711 -7.8711 -6.3272 -6.3272 -6.3074 -6.3074 -6.3030 -6.3018 -3.1316 -3.1316 0.5798 0.5798 0.6164 0.6186 0.6201 0.6201 2.9547 2.9547 3.0061 3.0061 3.0168 3.0315 3.2397 3.2410 3.2436 3.2436 3.2921 3.2921 3.3950 3.3986 3.4006 3.4006 4.6179 4.6179 4.8278 4.8278 4.9765 4.9868 4.9870 4.9870 5.0458 5.0458 5.0642 5.1016 5.1016 5.1183 5.5744 5.5744 5.6192 5.6455 5.6455 5.6541 6.5612 6.5612 6.7758 6.7758 6.7787 6.7921 6.9281 6.9642 6.9642 6.9669 7.0019 7.0019 9.4780 9.4780 9.6121 9.6121 9.6382 9.6394 11.5812 11.5812 11.6889 11.6889 k = 0.4615 0.4615 0.4615 ( 5256 PWs) bands (ev): -7.8690 -7.8690 -6.3225 -6.3225 -6.3089 -6.3089 -6.3049 -6.3039 -3.1387 -3.1387 0.5690 0.5690 0.6061 0.6079 0.6087 0.6087 2.9708 2.9708 3.0186 3.0186 3.0258 3.0381 3.2416 3.2435 3.2447 3.2447 3.2936 3.2936 3.3989 3.4014 3.4026 3.4026 4.6159 4.6159 4.8253 4.8253 4.9800 4.9871 4.9871 4.9873 5.0481 5.0481 5.0713 5.1007 5.1007 5.1163 5.5909 5.5909 5.6212 5.6453 5.6453 5.6502 6.5212 6.5212 6.7966 6.7966 6.7969 6.8098 6.9457 6.9748 6.9748 6.9786 7.0146 7.0146 9.4579 9.4579 9.5928 9.5928 9.6110 9.6121 11.5896 11.5896 11.6588 11.6588 k = 0.4712 0.4712 0.4712 ( 5259 PWs) bands (ev): -7.8674 -7.8674 -6.3192 -6.3192 -6.3094 -6.3094 -6.3063 -6.3056 -3.1443 -3.1443 0.5606 0.5606 0.5981 0.5994 0.5997 0.5997 2.9824 2.9824 3.0296 3.0296 3.0332 3.0428 3.2431 3.2451 3.2454 3.2454 3.2948 3.2948 3.4021 3.4038 3.4043 3.4043 4.6147 4.6147 4.8232 4.8232 4.9826 4.9870 4.9870 4.9876 5.0500 5.0500 5.0786 5.1000 5.1000 5.1134 5.6058 5.6058 5.6237 5.6445 5.6445 5.6461 6.4880 6.4880 6.8111 6.8123 6.8123 6.8217 6.9629 6.9837 6.9837 6.9883 7.0256 7.0256 9.4409 9.4409 9.5779 9.5779 9.5888 9.5896 11.5951 11.5951 11.6364 11.6364 k = 0.4808 0.4808 0.4808 ( 5232 PWs) bands (ev): -7.8663 -7.8663 -6.3176 -6.3176 -6.3090 -6.3090 -6.3073 -6.3068 -3.1484 -3.1484 0.5545 0.5545 0.5924 0.5933 0.5933 0.5933 2.9902 2.9902 3.0383 3.0383 3.0391 3.0456 3.2444 3.2458 3.2458 3.2460 3.2957 3.2957 3.4046 3.4056 3.4057 3.4057 4.6140 4.6140 4.8216 4.8216 4.9846 4.9870 4.9870 4.9877 5.0514 5.0514 5.0860 5.0996 5.0996 5.1096 5.6185 5.6185 5.6267 5.6419 5.6430 5.6430 6.4632 6.4632 6.8214 6.8233 6.8233 6.8288 6.9779 6.9904 6.9904 6.9951 7.0342 7.0342 9.4281 9.4281 9.5673 9.5673 9.5723 9.5728 11.5960 11.5960 11.6235 11.6235 k = 0.4904 0.4904 0.4904 ( 5232 PWs) bands (ev): -7.8656 -7.8656 -6.3171 -6.3171 -6.3083 -6.3083 -6.3078 -6.3076 -3.1509 -3.1509 0.5509 0.5509 0.5891 0.5894 0.5894 0.5895 2.9946 2.9946 3.0433 3.0439 3.0439 3.0466 3.2454 3.2460 3.2460 3.2463 3.2963 3.2963 3.4062 3.4066 3.4066 3.4067 4.6137 4.6137 4.8205 4.8205 4.9860 4.9869 4.9869 4.9874 5.0522 5.0522 5.0929 5.0993 5.0993 5.1048 5.6282 5.6282 5.6300 5.6378 5.6404 5.6404 6.4477 6.4477 6.8282 6.8296 6.8296 6.8320 6.9892 6.9945 6.9945 6.9978 7.0396 7.0396 9.4201 9.4201 9.5609 9.5609 9.5621 9.5624 11.5929 11.5929 11.6194 11.6194 k = 0.5000 0.5000 0.5000 ( 5232 PWs) bands (ev): -7.8654 -7.8654 -6.3170 -6.3170 -6.3079 -6.3079 -6.3079 -6.3079 -3.1517 -3.1517 0.5497 0.5497 0.5881 0.5881 0.5881 0.5881 2.9960 2.9960 3.0458 3.0458 3.0458 3.0458 3.2460 3.2460 3.2460 3.2460 3.2965 3.2965 3.4069 3.4069 3.4069 3.4069 4.6136 4.6136 4.8202 4.8202 4.9869 4.9869 4.9869 4.9869 5.0525 5.0525 5.0992 5.0992 5.0992 5.0992 5.6338 5.6338 5.6338 5.6338 5.6372 5.6372 6.4424 6.4424 6.8317 6.8317 6.8317 6.8317 6.9959 6.9959 6.9959 6.9959 7.0415 7.0415 9.4173 9.4173 9.5588 9.5588 9.5588 9.5588 11.5911 11.5911 11.6188 11.6188 k = 0.5000 0.5000 0.5000 ( 5232 PWs) bands (ev): -7.8654 -7.8654 -6.3170 -6.3170 -6.3079 -6.3079 -6.3079 -6.3079 -3.1517 -3.1517 0.5497 0.5497 0.5881 0.5881 0.5881 0.5881 2.9960 2.9960 3.0458 3.0458 3.0458 3.0458 3.2460 3.2460 3.2460 3.2460 3.2965 3.2965 3.4069 3.4069 3.4069 3.4069 4.6136 4.6136 4.8202 4.8202 4.9869 4.9869 4.9869 4.9869 5.0525 5.0525 5.0992 5.0992 5.0992 5.0992 5.6338 5.6338 5.6338 5.6338 5.6372 5.6372 6.4424 6.4424 6.8317 6.8317 6.8317 6.8317 6.9959 6.9959 6.9959 6.9959 7.0415 7.0415 9.4173 9.4173 9.5588 9.5588 9.5588 9.5588 11.5911 11.5911 11.6188 11.6188 k = 0.4884 0.5000 0.4884 ( 5232 PWs) bands (ev): -7.8656 -7.8656 -6.3171 -6.3171 -6.3083 -6.3082 -6.3079 -6.3076 -3.1509 -3.1509 0.5509 0.5509 0.5890 0.5893 0.5894 0.5896 2.9946 2.9947 3.0433 3.0435 3.0445 3.0465 3.2454 3.2459 3.2460 3.2463 3.2963 3.2963 3.4061 3.4064 3.4066 3.4069 4.6137 4.6137 4.8205 4.8205 4.9860 4.9867 4.9871 4.9875 5.0522 5.0523 5.0932 5.0977 5.1008 5.1046 5.6282 5.6288 5.6300 5.6372 5.6390 5.6419 6.4475 6.4475 6.8282 6.8293 6.8301 6.8320 6.9894 6.9934 6.9954 6.9979 7.0397 7.0397 9.4200 9.4200 9.5605 9.5607 9.5623 9.5626 11.5929 11.5930 11.6194 11.6194 k = 0.4767 0.5000 0.4767 ( 5232 PWs) bands (ev): -7.8663 -7.8663 -6.3176 -6.3173 -6.3092 -6.3089 -6.3074 -6.3068 -3.1484 -3.1484 0.5543 0.5545 0.5919 0.5925 0.5934 0.5940 2.9899 2.9909 3.0371 3.0392 3.0402 3.0452 3.2444 3.2456 3.2456 3.2464 3.2957 3.2958 3.4042 3.4049 3.4060 3.4065 4.6140 4.6140 4.8215 4.8216 4.9846 4.9867 4.9870 4.9881 5.0514 5.0516 5.0866 5.0965 5.1024 5.1093 5.6169 5.6229 5.6254 5.6384 5.6402 5.6483 6.4625 6.4628 6.8209 6.8235 6.8241 6.8292 6.9781 6.9884 6.9909 6.9964 7.0345 7.0347 9.4275 9.4280 9.5658 9.5663 9.5730 9.5736 11.5970 11.5974 11.6212 11.6218 k = 0.4651 0.5000 0.4651 ( 5258 PWs) bands (ev): -7.8674 -7.8674 -6.3191 -6.3180 -6.3108 -6.3097 -6.3062 -6.3053 -3.1444 -3.1444 0.5600 0.5605 0.5970 0.5978 0.6000 0.6013 2.9813 2.9847 3.0266 3.0335 3.0336 3.0421 3.2430 3.2446 3.2453 3.2464 3.2948 3.2950 3.4013 3.4023 3.4051 3.4060 4.6144 4.6147 4.8230 4.8231 4.9826 4.9865 4.9865 4.9888 5.0498 5.0504 5.0797 5.0956 5.1038 5.1131 5.6019 5.6162 5.6198 5.6357 5.6430 5.6548 6.4865 6.4873 6.8092 6.8131 6.8146 6.8233 6.9622 6.9808 6.9812 6.9928 7.0269 7.0274 9.4391 9.4407 9.5746 9.5759 9.5905 9.5917 11.6007 11.6021 11.6253 11.6270 k = 0.4535 0.5000 0.4535 ( 5256 PWs) bands (ev): -7.8689 -7.8689 -6.3218 -6.3193 -6.3129 -6.3104 -6.3041 -6.3030 -3.1389 -3.1389 0.5676 0.5687 0.6041 0.6050 0.6094 0.6117 2.9682 2.9760 3.0123 3.0255 3.0267 3.0371 3.2411 3.2428 3.2448 3.2463 3.2934 3.2940 3.3974 3.3989 3.4039 3.4053 4.6154 4.6159 4.8250 4.8253 4.9801 4.9859 4.9862 4.9897 5.0477 5.0490 5.0726 5.0952 5.1051 5.1161 5.5841 5.6073 5.6143 5.6324 5.6457 5.6615 6.5183 6.5201 6.7929 6.7965 6.8029 6.8142 6.9430 6.9663 6.9708 6.9873 7.0181 7.0185 9.4536 9.4574 9.5871 9.5899 9.6144 9.6164 11.6028 11.6054 11.6329 11.6358 k = 0.4419 0.5000 0.4419 ( 5258 PWs) bands (ev): -7.8709 -7.8709 -6.3257 -6.3217 -6.3148 -6.3110 -6.3011 -6.2999 -3.1320 -3.1320 0.5771 0.5792 0.6132 0.6142 0.6215 0.6251 2.9502 2.9642 2.9948 3.0165 3.0187 3.0303 3.2386 3.2403 3.2441 3.2459 3.2917 3.2928 3.3927 3.3948 3.4025 3.4044 4.6169 4.6178 4.8273 4.8278 4.9768 4.9850 4.9855 4.9908 5.0451 5.0475 5.0656 5.0952 5.1061 5.1183 5.5644 5.5955 5.6092 5.6295 5.6483 5.6680 6.5561 6.5594 6.7715 6.7736 6.7887 6.8020 6.9217 6.9471 6.9590 6.9805 7.0087 7.0088 9.4700 9.4770 9.6034 9.6083 9.6439 9.6470 11.6041 11.6076 11.6443 11.6483 k = 0.4302 0.5000 0.4302 ( 5242 PWs) bands (ev): -7.8734 -7.8734 -6.3307 -6.3257 -6.3162 -6.3115 -6.2973 -6.2959 -3.1238 -3.1237 0.5884 0.5916 0.6244 0.6253 0.6363 0.6417 2.9274 2.9476 2.9765 3.0069 3.0095 3.0220 3.2351 3.2367 3.2431 3.2450 3.2896 3.2916 3.3876 3.3904 3.4008 3.4034 4.6191 4.6205 4.8298 4.8306 4.9730 4.9840 4.9841 4.9919 5.0424 5.0459 5.0589 5.0957 5.1070 5.1197 5.5435 5.5818 5.6045 5.6272 5.6507 5.6744 6.5971 6.6027 6.7439 6.7447 6.7736 6.7876 6.9000 6.9247 6.9461 6.9729 6.9986 6.9991 9.4872 9.4984 9.6238 9.6313 9.6783 9.6827 11.6051 11.6094 11.6594 11.6642 k = 0.4186 0.5000 0.4186 ( 5246 PWs) bands (ev): -7.8764 -7.8764 -6.3367 -6.3309 -6.3171 -6.3117 -6.2927 -6.2912 -3.1143 -3.1142 0.6013 0.6059 0.6375 0.6382 0.6540 0.6613 2.9002 2.9242 2.9597 2.9965 2.9993 3.0123 3.2302 3.2318 3.2417 3.2433 3.2874 3.2906 3.3822 3.3859 3.3990 3.4024 4.6221 4.6242 4.8323 4.8333 4.9683 4.9815 4.9830 4.9927 5.0396 5.0442 5.0525 5.0965 5.1075 5.1203 5.5221 5.5667 5.5997 5.6256 5.6530 5.6804 6.6356 6.6447 6.7073 6.7126 6.7617 6.7743 6.8789 6.9002 6.9329 6.9650 6.9879 6.9896 9.5046 9.5205 9.6480 9.6586 9.7164 9.7223 11.6067 11.6115 11.6779 11.6834 k = 0.4070 0.5000 0.4070 ( 5242 PWs) bands (ev): -7.8799 -7.8798 -6.3435 -6.3373 -6.3175 -6.3118 -6.2873 -6.2857 -3.1039 -3.1037 0.6157 0.6219 0.6523 0.6528 0.6746 0.6840 2.8691 2.8945 2.9445 2.9855 2.9882 3.0014 3.2232 3.2251 3.2400 3.2406 3.2852 3.2899 3.3768 3.3816 3.3971 3.4013 4.6261 4.6289 4.8347 4.8359 4.9629 4.9778 4.9819 4.9932 5.0370 5.0426 5.0467 5.0978 5.1078 5.1201 5.5009 5.5513 5.5950 5.6246 5.6552 5.6860 6.6559 6.6603 6.6756 6.6771 6.7653 6.7743 6.8592 6.8747 6.9208 6.9572 6.9772 6.9813 9.5219 9.5429 9.6759 9.6895 9.7571 9.7646 11.6091 11.6144 11.6998 11.7059 k = 0.3953 0.5000 0.3953 ( 5234 PWs) bands (ev): -7.8838 -7.8838 -6.3513 -6.3446 -6.3175 -6.3114 -6.2813 -6.2796 -3.0925 -3.0923 0.6316 0.6394 0.6688 0.6691 0.6980 0.7096 2.8348 2.8603 2.9298 2.9737 2.9762 2.9894 3.2139 3.2163 3.2368 3.2376 3.2836 3.2897 3.3717 3.3777 3.3951 3.4002 4.6312 4.6348 4.8369 4.8382 4.9565 4.9730 4.9808 4.9932 5.0342 5.0412 5.0422 5.0994 5.1078 5.1193 5.4804 5.5360 5.5903 5.6242 5.6574 5.6911 6.6140 6.6296 6.6558 6.6695 6.7927 6.7970 6.8430 6.8488 6.9125 6.9489 6.9677 6.9776 9.5390 9.5652 9.7068 9.7234 9.7992 9.8082 11.6128 11.6184 11.7251 11.7317 k = 0.3837 0.5000 0.3837 ( 5240 PWs) bands (ev): -7.8884 -7.8883 -6.3598 -6.3529 -6.3169 -6.3106 -6.2746 -6.2728 -3.0805 -3.0802 0.6487 0.6584 0.6866 0.6869 0.7243 0.7380 2.7979 2.8228 2.9151 2.9612 2.9633 2.9764 3.2020 3.2047 3.2319 3.2348 3.2828 3.2901 3.3672 3.3744 3.3931 3.3991 4.6376 4.6419 4.8388 4.8399 4.9491 4.9672 4.9797 4.9925 5.0302 5.0395 5.0399 5.1012 5.1076 5.1178 5.4610 5.5213 5.5854 5.6244 5.6594 5.6957 6.5613 6.5842 6.6335 6.6464 6.8054 6.8181 6.8305 6.8432 6.9137 6.9386 6.9652 6.9860 9.5559 9.5874 9.7401 9.7597 9.8414 9.8518 11.6180 11.6238 11.7538 11.7607 k = 0.3721 0.5000 0.3721 ( 5236 PWs) bands (ev): -7.8934 -7.8933 -6.3690 -6.3619 -6.3156 -6.3091 -6.2672 -6.2654 -3.0680 -3.0676 0.6671 0.6789 0.7057 0.7062 0.7533 0.7691 2.7589 2.7830 2.9001 2.9480 2.9495 2.9625 3.1874 3.1904 3.2260 3.2312 3.2827 3.2910 3.3632 3.3717 3.3911 3.3979 4.6452 4.6501 4.8405 4.8410 4.9408 4.9610 4.9785 4.9912 5.0253 5.0383 5.0386 5.1031 5.1072 5.1159 5.4432 5.5077 5.5805 5.6251 5.6614 5.6998 6.5054 6.5350 6.6058 6.6165 6.7891 6.7937 6.8455 6.8502 6.9165 6.9260 6.9906 7.0145 9.5726 9.6094 9.7748 9.7977 9.8826 9.8941 11.6249 11.6310 11.7858 11.7929 k = 0.3605 0.5000 0.3605 ( 5240 PWs) bands (ev): -7.8990 -7.8989 -6.3790 -6.3717 -6.3137 -6.3070 -6.2593 -6.2574 -3.0551 -3.0546 0.6865 0.7008 0.7258 0.7270 0.7850 0.8028 2.7185 2.7414 2.8848 2.9342 2.9350 2.9477 3.1701 3.1733 3.2196 3.2271 3.2834 3.2924 3.3600 3.3696 3.3891 3.3967 4.6540 4.6593 4.8412 4.8418 4.9317 4.9545 4.9771 4.9894 5.0201 5.0372 5.0378 5.1051 5.1067 5.1136 5.4273 5.4952 5.5756 5.6262 5.6632 5.7034 6.4472 6.4834 6.5754 6.5835 6.7660 6.7679 6.8371 6.8573 6.9079 6.9120 7.0450 7.0625 9.5889 9.6314 9.8101 9.8369 9.9218 9.9340 11.6339 11.6400 11.8209 11.8283 k = 0.3488 0.5000 0.3488 ( 5232 PWs) bands (ev): -7.9052 -7.9050 -6.3895 -6.3822 -6.3109 -6.3041 -6.2509 -6.2489 -3.0421 -3.0415 0.7066 0.7241 0.7466 0.7491 0.8192 0.8389 2.6772 2.6989 2.8693 2.9196 2.9199 2.9321 3.1505 3.1536 3.2129 3.2225 3.2846 3.2942 3.3574 3.3680 3.3872 3.3954 4.6640 4.6695 4.8403 4.8429 4.9222 4.9479 4.9753 4.9875 5.0150 5.0355 5.0375 5.1061 5.1069 5.1110 5.4136 5.4843 5.5708 5.6279 5.6649 5.7066 6.3877 6.4305 6.5438 6.5492 6.7374 6.7450 6.8245 6.8545 6.8948 6.8975 7.1104 7.1226 9.6047 9.6533 9.8452 9.8768 9.9584 9.9707 11.6448 11.6511 11.8589 11.8664 k = 0.3372 0.5000 0.3372 ( 5240 PWs) bands (ev): -7.9119 -7.9117 -6.4007 -6.3933 -6.3072 -6.3003 -6.2419 -6.2398 -3.0292 -3.0285 0.7273 0.7487 0.7682 0.7727 0.8556 0.8771 2.6356 2.6559 2.8534 2.9035 2.9048 2.9158 3.1286 3.1316 3.2058 3.2175 3.2863 3.2963 3.3553 3.3669 3.3852 3.3940 4.6751 4.6806 4.8380 4.8436 4.9129 4.9410 4.9729 4.9857 5.0101 5.0335 5.0371 5.1052 5.1081 5.1083 5.4024 5.4749 5.5663 5.6299 5.6664 5.7095 6.3275 6.3767 6.5118 6.5144 6.7080 6.7206 6.8100 6.8459 6.8802 6.8830 7.1803 7.1889 9.6198 9.6751 9.8789 9.9170 9.9923 10.0034 11.6579 11.6642 11.8995 11.9071 k = 0.3256 0.5000 0.3256 ( 5240 PWs) bands (ev): -7.9190 -7.9188 -6.4123 -6.4049 -6.3025 -6.2955 -6.2325 -6.2303 -3.0165 -3.0157 0.7482 0.7742 0.7905 0.7978 0.8941 0.9175 2.5941 2.6129 2.8372 2.8865 2.8889 2.8991 3.1047 3.1075 3.1988 3.2123 3.2882 3.2985 3.3538 3.3660 3.3833 3.3925 4.6873 4.6923 4.8340 4.8439 4.9041 4.9340 4.9697 4.9844 5.0057 5.0311 5.0365 5.1033 5.1060 5.1091 5.3940 5.4672 5.5624 5.6325 5.6677 5.7123 6.2671 6.3228 6.4796 6.4798 6.6778 6.6950 6.7944 6.8336 6.8651 6.8693 7.2522 7.2585 9.6338 9.6964 9.9099 9.9569 10.0238 10.0320 11.6729 11.6793 11.9422 11.9499 k = 0.3140 0.5000 0.3140 ( 5230 PWs) bands (ev): -7.9267 -7.9265 -6.4244 -6.4171 -6.2968 -6.2898 -6.2227 -6.2204 -3.0043 -3.0033 0.7690 0.8000 0.8141 0.8245 0.9344 0.9596 2.5533 2.5705 2.8206 2.8689 2.8717 2.8822 3.0792 3.0817 3.1921 3.2070 3.2904 3.3009 3.3527 3.3654 3.3814 3.3908 4.7003 4.7045 4.8281 4.8440 4.8965 4.9269 4.9659 4.9836 5.0017 5.0287 5.0358 5.0997 5.1050 5.1093 5.3884 5.4610 5.5593 5.6357 5.6688 5.7153 6.2069 6.2691 6.4452 6.4482 6.6467 6.6683 6.7779 6.8183 6.8497 6.8564 7.3249 7.3296 9.6462 9.7170 9.9367 9.9958 10.0541 10.0569 11.6898 11.6963 11.9865 11.9942 k = 0.3023 0.5000 0.3023 ( 5224 PWs) bands (ev): -7.9349 -7.9346 -6.4369 -6.4296 -6.2901 -6.2831 -6.2125 -6.2102 -2.9927 -2.9916 0.7895 0.8244 0.8402 0.8528 0.9764 1.0033 2.5135 2.5292 2.8035 2.8504 2.8528 2.8655 3.0523 3.0544 3.1858 3.2020 3.2927 3.3032 3.3520 3.3649 3.3794 3.3891 4.7138 4.7168 4.8204 4.8437 4.8900 4.9199 4.9616 4.9830 4.9982 5.0266 5.0349 5.0953 5.1044 5.1087 5.3858 5.4561 5.5573 5.6395 5.6696 5.7186 6.1472 6.2160 6.4116 6.4172 6.6150 6.6407 6.7606 6.8011 6.8343 6.8443 7.3978 7.4014 9.6565 9.7363 9.9579 10.0321 10.0797 10.0845 11.7083 11.7149 12.0316 12.0393 k = 0.2907 0.5000 0.2907 ( 5232 PWs) bands (ev): -7.9435 -7.9432 -6.4496 -6.4424 -6.2823 -6.2753 -6.2019 -6.1996 -2.9818 -2.9806 0.8094 0.8469 0.8693 0.8827 1.0197 1.0483 2.4752 2.4893 2.7857 2.8313 2.8324 2.8488 3.0243 3.0260 3.1802 3.1975 3.2950 3.3054 3.3516 3.3645 3.3775 3.3872 4.7274 4.7289 4.8112 4.8430 4.8844 4.9131 4.9569 4.9825 4.9951 5.0254 5.0340 5.0901 5.1038 5.1074 5.3857 5.4520 5.5569 5.6440 5.6699 5.7226 6.0884 6.1638 6.3789 6.3871 6.5826 6.6121 6.7427 6.7824 6.8190 6.8326 7.4701 7.4729 9.6639 9.7533 9.9731 10.0621 10.1044 10.1159 11.7280 11.7348 12.0768 12.0846 k = 0.2791 0.5000 0.2791 ( 5236 PWs) bands (ev): -7.9524 -7.9521 -6.4625 -6.4555 -6.2735 -6.2665 -6.1912 -6.1888 -2.9719 -2.9706 0.8286 0.8680 0.9008 0.9141 1.0640 1.0943 2.4387 2.4512 2.7671 2.8105 2.8114 2.8317 2.9955 2.9968 3.1755 3.1937 3.2973 3.3075 3.3515 3.3641 3.3755 3.3853 4.7402 4.7404 4.8014 4.8418 4.8794 4.9071 4.9517 4.9821 4.9922 5.0258 5.0334 5.0843 5.1034 5.1057 5.3881 5.4482 5.5585 5.6495 5.6699 5.7275 6.0306 6.1126 6.3473 6.3579 6.5496 6.5828 6.7243 6.7630 6.8039 6.8211 7.5414 7.5437 9.6674 9.7663 9.9834 10.0822 10.1352 10.1487 11.7485 11.7555 12.1211 12.1290 k = 0.2674 0.5000 0.2674 ( 5236 PWs) bands (ev): -7.9617 -7.9614 -6.4756 -6.4688 -6.2637 -6.2567 -6.1801 -6.1777 -2.9630 -2.9616 0.8471 0.8880 0.9339 0.9471 1.1091 1.1410 2.4043 2.4153 2.7474 2.7871 2.7909 2.8141 2.9661 2.9669 3.1719 3.1909 3.2996 3.3094 3.3516 3.3638 3.3736 3.3834 4.7510 4.7511 4.7922 4.8401 4.8745 4.9024 4.9460 4.9819 4.9895 5.0282 5.0337 5.0779 5.1031 5.1036 5.3925 5.4444 5.5623 5.6561 5.6696 5.7336 5.9741 6.0627 6.3169 6.3298 6.5163 6.5531 6.7055 6.7432 6.7890 6.8096 7.6111 7.6132 9.6660 9.7731 9.9913 10.0956 10.1702 10.1825 11.7693 11.7765 12.1638 12.1717 k = 0.2558 0.5000 0.2558 ( 5232 PWs) bands (ev): -7.9713 -7.9709 -6.4888 -6.4821 -6.2529 -6.2460 -6.1690 -6.1665 -2.9553 -2.9538 0.8647 0.9070 0.9685 0.9814 1.1546 1.1881 2.3723 2.3819 2.7265 2.7624 2.7697 2.7957 2.9366 2.9368 3.1697 3.1893 3.3017 3.3109 3.3519 3.3634 3.3718 3.3816 4.7561 4.7605 4.7870 4.8380 4.8694 4.8997 4.9397 4.9822 4.9867 5.0330 5.0352 5.0709 5.1015 5.1030 5.3984 5.4401 5.5682 5.6642 5.6691 5.7412 5.9191 6.0141 6.2879 6.3030 6.4829 6.5229 6.6865 6.7232 6.7743 6.7981 7.6790 7.6810 9.6585 9.7711 10.0003 10.1064 10.2063 10.2166 11.7897 11.7972 12.2037 12.2117 k = 0.2442 0.5000 0.2442 ( 5240 PWs) bands (ev): -7.9811 -7.9807 -6.5019 -6.4954 -6.2411 -6.2343 -6.1577 -6.1553 -2.9489 -2.9473 0.8814 0.9251 1.0044 1.0171 1.2000 1.2352 2.3430 2.3513 2.7043 2.7362 2.7479 2.7763 2.9066 2.9070 3.1688 3.1890 3.3037 3.3121 3.3521 3.3629 3.3703 3.3800 4.7524 4.7683 4.7886 4.8355 4.8640 4.8990 4.9330 4.9829 4.9835 5.0383 5.0402 5.0635 5.0994 5.1031 5.4054 5.4352 5.5760 5.6683 5.6738 5.7503 5.8659 5.9670 6.2604 6.2774 6.4493 6.4925 6.6673 6.7032 6.7598 6.7864 7.7445 7.7465 9.6438 9.7580 10.0131 10.1173 10.2422 10.2507 11.8090 11.8169 12.2397 12.2476 k = 0.2326 0.5000 0.2326 ( 5236 PWs) bands (ev): -7.9911 -7.9906 -6.5149 -6.5087 -6.2285 -6.2218 -6.1464 -6.1440 -2.9437 -2.9420 0.8974 0.9424 1.0414 1.0540 1.2452 1.2818 2.3166 2.3236 2.6805 2.7088 2.7255 2.7560 2.8767 2.8777 3.1694 3.1900 3.3054 3.3130 3.3523 3.3622 3.3692 3.3787 4.7437 4.7742 4.7929 4.8330 4.8587 4.9004 4.9261 4.9801 4.9840 5.0434 5.0494 5.0562 5.0979 5.1039 5.4129 5.4299 5.5850 5.6674 5.6848 5.7613 5.8155 5.9218 6.2343 6.2531 6.4160 6.4620 6.6483 6.6833 6.7453 6.7746 7.8074 7.8095 9.6212 9.7332 10.0309 10.1297 10.2774 10.2843 11.8268 11.8351 12.2708 12.2785 k = 0.2209 0.5000 0.2209 ( 5232 PWs) bands (ev): -8.0011 -8.0007 -6.5278 -6.5218 -6.2152 -6.2086 -6.1351 -6.1327 -2.9399 -2.9381 0.9126 0.9588 1.0795 1.0919 1.2896 1.3277 2.2931 2.2990 2.6553 2.6800 2.7026 2.7345 2.8471 2.8489 3.1716 3.1926 3.3069 3.3136 3.3521 3.3614 3.3687 3.3779 4.7336 4.7779 4.7960 4.8307 4.8541 4.9030 4.9193 4.9768 4.9854 5.0475 5.0504 5.0615 5.0971 5.1056 5.4206 5.4242 5.5946 5.6662 5.6942 5.7709 5.7742 5.8783 6.2099 6.2303 6.3830 6.4318 6.6294 6.6638 6.7309 6.7626 7.8671 7.8695 9.5904 9.6976 10.0537 10.1447 10.3116 10.3172 11.8421 11.8509 12.2959 12.3034 k = 0.2093 0.5000 0.2093 ( 5228 PWs) bands (ev): -8.0112 -8.0107 -6.5405 -6.5347 -6.2012 -6.1947 -6.1239 -6.1215 -2.9375 -2.9356 0.9270 0.9743 1.1185 1.1309 1.3328 1.3723 2.2728 2.2778 2.6285 2.6500 2.6791 2.7119 2.8181 2.8205 3.1752 3.1966 3.3080 3.3138 3.3517 3.3605 3.3690 3.3775 4.7237 4.7792 4.7970 4.8289 4.8505 4.9060 4.9129 4.9738 4.9870 5.0398 5.0586 5.0728 5.0979 5.1092 5.4184 5.4281 5.6042 5.6643 5.6865 5.7484 5.7892 5.8375 6.1873 6.2089 6.3506 6.4019 6.6107 6.6447 6.7164 6.7503 7.9235 7.9262 9.5514 9.6525 10.0806 10.1629 10.3444 10.3490 11.8544 11.8638 12.3147 12.3216 k = 0.1977 0.5000 0.1977 ( 5230 PWs) bands (ev): -8.0212 -8.0207 -6.5528 -6.5474 -6.1867 -6.1803 -6.1128 -6.1104 -2.9363 -2.9344 0.9409 0.9890 1.1583 1.1707 1.3746 1.4153 2.2556 2.2598 2.6005 2.6190 2.6550 2.6882 2.7896 2.7927 3.1802 3.2019 3.3088 3.3138 3.3510 3.3597 3.3699 3.3776 4.7143 4.7780 4.7959 4.8278 4.8479 4.9074 4.9084 4.9716 4.9885 5.0324 5.0664 5.0821 5.1015 5.1166 5.4128 5.4352 5.6131 5.6519 5.6607 5.7582 5.7985 5.8080 6.1665 6.1891 6.3190 6.3724 6.5924 6.6260 6.7019 6.7377 7.9761 7.9792 9.5049 9.5995 10.1108 10.1842 10.3760 10.3797 11.8630 11.8730 12.3270 12.3331 k = 0.1860 0.5000 0.1860 ( 5226 PWs) bands (ev): -8.0310 -8.0306 -6.5648 -6.5596 -6.1718 -6.1656 -6.1020 -6.0996 -2.9364 -2.9345 0.9542 1.0029 1.1987 1.2112 1.4146 1.4562 2.2417 2.2452 2.5714 2.5873 2.6303 2.6634 2.7619 2.7655 3.1864 3.2083 3.3093 3.3135 3.3502 3.3590 3.3713 3.3780 4.7059 4.7748 4.7934 4.8272 4.8464 4.9032 4.9097 4.9706 4.9898 5.0254 5.0716 5.0877 5.1098 5.1284 5.4076 5.4422 5.6065 5.6258 5.6535 5.7676 5.7794 5.8262 6.1479 6.1709 6.2883 6.3437 6.5746 6.6080 6.6873 6.7247 8.0249 8.0284 9.4517 9.5401 10.1435 10.2086 10.4061 10.4090 11.8673 11.8781 12.3336 12.3388 k = 0.1744 0.5000 0.1744 ( 5234 PWs) bands (ev): -8.0407 -8.0402 -6.5764 -6.5715 -6.1566 -6.1506 -6.0914 -6.0891 -2.9377 -2.9357 0.9671 1.0161 1.2397 1.2523 1.4523 1.4948 2.2309 2.2340 2.5416 2.5550 2.6052 2.6377 2.7348 2.7389 3.1936 3.2156 3.3095 3.3130 3.3496 3.3587 3.3731 3.3788 4.6984 4.7701 4.7901 4.8264 4.8458 4.9005 4.9095 4.9707 4.9905 5.0193 5.0738 5.0906 5.1223 5.1428 5.4027 5.4490 5.5675 5.6328 5.6396 5.7440 5.8045 5.8474 6.1317 6.1546 6.2586 6.3157 6.5573 6.5907 6.6724 6.7112 8.0695 8.0735 9.3930 9.4754 10.1783 10.2357 10.4347 10.4370 11.8670 11.8786 12.3357 12.3399 k = 0.1628 0.5000 0.1628 ( 5234 PWs) bands (ev): -8.0501 -8.0496 -6.5875 -6.5829 -6.1413 -6.1355 -6.0811 -6.0788 -2.9401 -2.9381 0.9797 1.0286 1.2811 1.2938 1.4878 1.5306 2.2233 2.2260 2.5111 2.5225 2.5796 2.6111 2.7084 2.7130 3.2016 3.2235 3.3094 3.3123 3.3495 3.3588 3.3750 3.3799 4.6921 4.7644 4.7865 4.8252 4.8461 4.8998 4.9082 4.9718 4.9902 5.0149 5.0744 5.0922 5.1371 5.1575 5.3978 5.4561 5.5308 5.6176 5.6410 5.7306 5.8313 5.8701 6.1184 6.1402 6.2303 6.2888 6.5405 6.5741 6.6574 6.6972 8.1099 8.1142 9.3299 9.4068 10.2146 10.2651 10.4617 10.4635 11.8615 11.8740 12.3349 12.3382 k = 0.1512 0.5000 0.1512 ( 5230 PWs) bands (ev): -8.0591 -8.0587 -6.5980 -6.5937 -6.1261 -6.1205 -6.0712 -6.0690 -2.9434 -2.9414 0.9919 1.0404 1.3227 1.3355 1.5207 1.5635 2.2187 2.2210 2.4804 2.4898 2.5536 2.5838 2.6828 2.6877 3.2100 3.2318 3.3090 3.3114 3.3500 3.3594 3.3771 3.3812 4.6870 4.7581 4.7831 4.8233 4.8472 4.9010 4.9060 4.9737 4.9883 5.0124 5.0742 5.0932 5.1523 5.1706 5.3909 5.4640 5.5009 5.5893 5.6493 5.7250 5.8584 5.8940 6.1086 6.1281 6.2034 6.2631 6.5243 6.5584 6.6421 6.6827 8.1458 8.1505 9.2638 9.3355 10.2520 10.2962 10.4871 10.4885 11.8507 11.8642 12.3329 12.3353 k = 0.1395 0.5000 0.1395 ( 5238 PWs) bands (ev): -8.0678 -8.0674 -6.6080 -6.6040 -6.1111 -6.1058 -6.0617 -6.0596 -2.9475 -2.9456 1.0039 1.0515 1.3643 1.3773 1.5511 1.5934 2.2167 2.2188 2.4497 2.4574 2.5275 2.5560 2.6580 2.6631 3.2187 3.2400 3.3084 3.3104 3.3513 3.3607 3.3791 3.3827 4.6830 4.7516 4.7801 4.8207 4.8492 4.9035 4.9039 4.9760 4.9850 5.0120 5.0735 5.0937 5.1664 5.1808 5.3782 5.4731 5.4826 5.5582 5.6574 5.7241 5.8841 5.9182 6.1032 6.1186 6.1780 6.2387 6.5088 6.5436 6.6264 6.6674 8.1774 8.1823 9.1960 9.2628 10.2900 10.3287 10.5110 10.5119 11.8345 11.8491 12.3309 12.3325 k = 0.1279 0.5000 0.1279 ( 5242 PWs) bands (ev): -8.0760 -8.0756 -6.6173 -6.6137 -6.0965 -6.0915 -6.0527 -6.0507 -2.9523 -2.9504 1.0157 1.0619 1.4057 1.4188 1.5790 1.6202 2.2171 2.2190 2.4193 2.4253 2.5015 2.5280 2.6340 2.6393 3.2273 3.2480 3.3077 3.3092 3.3534 3.3626 3.3812 3.3842 4.6800 4.7449 4.7776 4.8177 4.8521 4.9011 4.9083 4.9784 4.9808 5.0131 5.0728 5.0941 5.1785 5.1873 5.3580 5.4786 5.4838 5.5264 5.6654 5.7257 5.9068 5.9418 6.1030 6.1122 6.1545 6.2162 6.4938 6.5298 6.6105 6.6514 8.2045 8.2095 9.1279 9.1899 10.3282 10.3620 10.5333 10.5339 11.8130 11.8285 12.3298 12.3306 k = 0.1163 0.5000 0.1163 ( 5246 PWs) bands (ev): -8.0837 -8.0833 -6.6260 -6.6226 -6.0824 -6.0778 -6.0442 -6.0423 -2.9575 -2.9557 1.0271 1.0715 1.4466 1.4599 1.6045 1.6440 2.2194 2.2211 2.3892 2.3938 2.4758 2.5001 2.6111 2.6165 3.2356 3.2555 3.3069 3.3079 3.3565 3.3650 3.3832 3.3858 4.6780 4.7384 4.7758 4.8143 4.8560 4.8992 4.9136 4.9763 4.9809 5.0151 5.0719 5.0942 5.1879 5.1895 5.3337 5.4860 5.4899 5.5014 5.6733 5.7286 5.9252 5.9636 6.1083 6.1094 6.1333 6.1963 6.4794 6.5170 6.5944 6.6347 8.2273 8.2323 9.0609 9.1180 10.3661 10.3954 10.5541 10.5543 11.7866 11.8029 12.3301 12.3303 k = 0.1047 0.5000 0.1047 ( 5238 PWs) bands (ev): -8.0908 -8.0904 -6.6339 -6.6309 -6.0692 -6.0648 -6.0362 -6.0345 -2.9629 -2.9612 1.0383 1.0803 1.4865 1.5001 1.6280 1.6651 2.2232 2.2247 2.3597 2.3630 2.4506 2.4727 2.5895 2.5947 3.2435 3.2623 3.3062 3.3066 3.3603 3.3680 3.3851 3.3875 4.6770 4.7321 4.7746 4.8108 4.8607 4.8981 4.9195 4.9717 4.9834 5.0177 5.0711 5.0943 5.1873 5.1941 5.3096 5.4626 5.5004 5.5128 5.6811 5.7322 5.9387 5.9821 6.1077 6.1168 6.1178 6.1815 6.4656 6.5052 6.5783 6.6173 8.2460 8.2508 8.9964 9.0486 10.4030 10.4283 10.5734 10.5735 11.7558 11.7727 12.3317 12.3319 k = 0.0930 0.5000 0.0930 ( 5238 PWs) bands (ev): -8.0973 -8.0969 -6.6411 -6.6384 -6.0568 -6.0529 -6.0289 -6.0273 -2.9685 -2.9669 1.0491 1.0882 1.5252 1.5391 1.6496 1.6837 2.2278 2.2293 2.3310 2.3333 2.4265 2.4460 2.5691 2.5742 3.2507 3.2682 3.3054 3.3055 3.3646 3.3714 3.3869 3.3891 4.6766 4.7260 4.7741 4.8073 4.8663 4.8980 4.9256 4.9671 4.9859 5.0207 5.0703 5.0942 5.1805 5.1971 5.2887 5.4335 5.5190 5.5289 5.6885 5.7358 5.9483 5.9963 6.0942 6.1209 6.1218 6.1779 6.4524 6.4946 6.5623 6.5993 8.2606 8.2650 8.9357 8.9828 10.4384 10.4600 10.5910 10.5915 11.7217 11.7387 12.3346 12.3350 k = 0.0814 0.5000 0.0814 ( 5246 PWs) bands (ev): -8.1031 -8.1028 -6.6475 -6.6451 -6.0456 -6.0421 -6.0222 -6.0208 -2.9739 -2.9724 1.0594 1.0951 1.5621 1.5762 1.6697 1.7000 2.2325 2.2343 2.3033 2.3051 2.4037 2.4206 2.5504 2.5552 3.2571 3.2730 3.3044 3.3050 3.3693 3.3749 3.3885 3.3906 4.6769 4.7202 4.7741 4.8039 4.8724 4.8993 4.9314 4.9624 4.9883 5.0238 5.0696 5.0940 5.1698 5.1970 5.2727 5.4058 5.5395 5.5460 5.6956 5.7390 5.9556 6.0057 6.0803 6.1145 6.1339 6.1897 6.4398 6.4851 6.5467 6.5806 8.2715 8.2753 8.8801 8.9219 10.4716 10.4897 10.6074 10.6083 11.6857 11.7024 12.3384 12.3389 k = 0.0698 0.5000 0.0698 ( 5242 PWs) bands (ev): -8.1082 -8.1079 -6.6531 -6.6510 -6.0356 -6.0327 -6.0160 -6.0148 -2.9789 -2.9777 1.0691 1.1009 1.5964 1.6108 1.6887 1.7144 2.2364 2.2391 2.2770 2.2793 2.3828 2.3971 2.5336 2.5380 3.2626 3.2768 3.3038 3.3047 3.3741 3.3784 3.3900 3.3921 4.6777 4.7149 4.7747 4.8007 4.8787 4.9022 4.9366 4.9576 4.9908 5.0268 5.0691 5.0937 5.1564 5.1942 5.2620 5.3801 5.5603 5.5633 5.7021 5.7417 5.9620 6.0110 6.0694 6.1028 6.1496 6.2093 6.4279 6.4767 6.5319 6.5617 8.2790 8.2822 8.8307 8.8669 10.5017 10.5165 10.6227 10.6240 11.6496 11.6653 12.3417 12.3417 k = 0.0581 0.5000 0.0581 ( 5238 PWs) bands (ev): -8.1126 -8.1124 -6.6578 -6.6561 -6.0271 -6.0247 -6.0105 -6.0096 -2.9836 -2.9825 1.0781 1.1054 1.6271 1.6417 1.7069 1.7274 2.2354 2.2421 2.2539 2.2598 2.3643 2.3758 2.5189 2.5228 3.2673 3.2794 3.3036 3.3046 3.3786 3.3817 3.3915 3.3936 4.6790 4.7098 4.7758 4.7976 4.8850 4.9071 4.9408 4.9524 4.9933 5.0290 5.0687 5.0932 5.1429 5.1891 5.2559 5.3564 5.5800 5.5800 5.7082 5.7435 5.9685 6.0127 6.0623 6.0906 6.1670 6.2298 6.4174 6.4693 6.5184 6.5428 8.2835 8.2860 8.7885 8.8189 10.5281 10.5398 10.6369 10.6387 11.6151 11.6293 12.3388 12.3405 k = 0.0465 0.5000 0.0465 ( 5242 PWs) bands (ev): -8.1162 -8.1160 -6.6617 -6.6603 -6.0202 -6.0184 -6.0056 -6.0050 -2.9875 -2.9867 1.0863 1.1087 1.6535 1.6677 1.7243 1.7394 2.2219 2.2277 2.2496 2.2545 2.3486 2.3575 2.5066 2.5099 3.2711 3.2809 3.3038 3.3047 3.3825 3.3844 3.3928 3.3949 4.6806 4.7052 4.7771 4.7947 4.8911 4.9137 4.9437 4.9468 4.9960 5.0296 5.0685 5.0914 5.1327 5.1821 5.2537 5.3350 5.5952 5.5975 5.7137 5.7440 5.9755 6.0116 6.0587 6.0795 6.1848 6.2475 6.4093 6.4626 6.5066 6.5247 8.2857 8.2874 8.7541 8.7784 10.5500 10.5588 10.6500 10.6521 11.5841 11.5962 12.3286 12.3318 k = 0.0349 0.5000 0.0349 ( 5238 PWs) bands (ev): -8.1191 -8.1189 -6.6647 -6.6636 -6.0149 -6.0137 -6.0014 -6.0011 -2.9908 -2.9901 1.0935 1.1106 1.6745 1.6873 1.7406 1.7507 2.2045 2.2086 2.2522 2.2554 2.3364 2.3426 2.4969 2.4995 3.2742 3.2815 3.3042 3.3049 3.3856 3.3866 3.3942 3.3961 4.6825 4.7009 4.7788 4.7920 4.8974 4.9212 4.9400 4.9460 4.9991 5.0282 5.0688 5.0873 5.1286 5.1737 5.2547 5.3160 5.6082 5.6117 5.7190 5.7432 5.9828 6.0091 6.0576 6.0705 6.2023 6.2592 6.4055 6.4560 6.4969 6.5082 8.2863 8.2873 8.7280 8.7461 10.5670 10.5732 10.6616 10.6637 11.5583 11.5679 12.3177 12.3208 k = 0.0233 0.5000 0.0233 ( 5254 PWs) bands (ev): -8.1211 -8.1210 -6.6668 -6.6661 -6.0113 -6.0105 -5.9983 -5.9982 -2.9931 -2.9927 1.0996 1.1112 1.6901 1.6999 1.7545 1.7606 2.1903 2.1931 2.2543 2.2565 2.3278 2.3316 2.4900 2.4917 3.2765 3.2814 3.3047 3.3052 3.3877 3.3881 3.3955 3.3970 4.6848 4.6970 4.7806 4.7895 4.9040 4.9287 4.9331 4.9461 5.0028 5.0245 5.0695 5.0818 5.1307 5.1644 5.2584 5.2994 5.6185 5.6218 5.7239 5.7410 5.9896 6.0061 6.0575 6.0639 6.2190 6.2628 6.4076 6.4483 6.4897 6.4950 8.2859 8.2864 8.7101 8.7222 10.5792 10.5830 10.6711 10.6727 11.5392 11.5459 12.3097 12.3120 k = 0.0116 0.5000 0.0116 ( 5242 PWs) bands (ev): -8.1223 -8.1223 -6.6680 -6.6676 -6.0091 -6.0087 -5.9963 -5.9963 -2.9945 -2.9943 1.1045 1.1103 1.7004 1.7057 1.7645 1.7673 2.1813 2.1827 2.2557 2.2568 2.3230 2.3248 2.4859 2.4868 3.2784 3.2808 3.3052 3.3054 3.3889 3.3890 3.3966 3.3974 4.6874 4.6935 4.7827 4.7871 4.9111 4.9259 4.9356 4.9445 5.0076 5.0191 5.0709 5.0769 5.1368 5.1547 5.2649 5.2854 5.6255 5.6275 5.7288 5.7377 5.9953 6.0031 6.0576 6.0600 6.2347 6.2585 6.4153 6.4382 6.4852 6.4869 8.2854 8.2856 8.7007 8.7067 10.5867 10.5885 10.6774 10.6784 11.5280 11.5315 12.3051 12.3063 k = 0.0000 0.5000-0.0000 ( 5230 PWs) bands (ev): -8.1227 -8.1227 -6.6682 -6.6682 -6.0082 -6.0082 -5.9957 -5.9957 -2.9949 -2.9949 1.1081 1.1081 1.7057 1.7057 1.7689 1.7689 2.1787 2.1787 2.2566 2.2566 2.3220 2.3220 2.4849 2.4849 3.2798 3.2798 3.3054 3.3054 3.3893 3.3893 3.3973 3.3973 4.6903 4.6903 4.7849 4.7849 4.9185 4.9185 4.9410 4.9410 5.0132 5.0132 5.0733 5.0733 5.1452 5.1452 5.2738 5.2738 5.6287 5.6287 5.7335 5.7335 5.9997 5.9997 6.0582 6.0582 6.2484 6.2484 6.4265 6.4265 6.4840 6.4840 8.2852 8.2852 8.6995 8.6995 10.5897 10.5897 10.6800 10.6800 11.5254 11.5254 12.3040 12.3040 k = 0.5000 0.5000-0.0000 ( 5248 PWs) bands (ev): -7.9427 -7.9427 -6.3564 -6.3564 -6.3497 -6.3497 -6.3006 -6.3006 -2.8140 -2.8140 0.6753 0.6753 1.5027 1.5027 1.5469 1.5469 2.1370 2.1370 2.1569 2.1569 2.7460 2.7460 2.8509 2.8509 3.2298 3.2298 3.2316 3.2316 3.3468 3.3468 3.4129 3.4129 4.7215 4.7215 4.7989 4.7989 4.8991 4.8991 4.9626 4.9626 5.0049 5.0049 5.0670 5.0670 5.0841 5.0841 5.4666 5.4666 5.4847 5.4847 5.6377 5.6377 5.8059 5.8059 6.3585 6.3585 6.3772 6.3772 6.5745 6.5745 7.1379 7.1379 7.8912 7.8912 9.1926 9.1926 10.5730 10.5730 10.6830 10.6830 12.5575 12.5575 12.6628 12.6628 k = 0.5000 0.5000 0.0167 ( 5248 PWs) bands (ev): -7.9425 -7.9425 -6.3563 -6.3563 -6.3496 -6.3496 -6.3006 -6.3006 -2.8150 -2.8150 0.6754 0.6754 1.4963 1.4963 1.5401 1.5401 2.1435 2.1435 2.1637 2.1637 2.7415 2.7415 2.8572 2.8572 3.2294 3.2294 3.2320 3.2320 3.3465 3.3465 3.4130 3.4130 4.7205 4.7205 4.7998 4.7998 4.8990 4.8990 4.9629 4.9629 5.0052 5.0052 5.0668 5.0668 5.0844 5.0844 5.4644 5.4644 5.4891 5.4891 5.6319 5.6319 5.8134 5.8134 6.3587 6.3587 6.3783 6.3783 6.5751 6.5751 7.1377 7.1377 7.8870 7.8870 9.1944 9.1944 10.5709 10.5709 10.6809 10.6809 12.5552 12.5552 12.6559 12.6559 k = 0.5000 0.5000 0.0333 ( 5248 PWs) bands (ev): -7.9419 -7.9419 -6.3560 -6.3560 -6.3492 -6.3492 -6.3006 -6.3006 -2.8181 -2.8181 0.6757 0.6757 1.4777 1.4777 1.5205 1.5205 2.1620 2.1620 2.1832 2.1832 2.7306 2.7306 2.8735 2.8735 3.2287 3.2287 3.2328 3.2328 3.3456 3.3456 3.4131 3.4131 4.7175 4.7175 4.8023 4.8023 4.8987 4.8987 4.9639 4.9639 5.0058 5.0058 5.0665 5.0665 5.0851 5.0851 5.4608 5.4608 5.4988 5.4988 5.6170 5.6170 5.8334 5.8334 6.3593 6.3593 6.3815 6.3815 6.5768 6.5768 7.1371 7.1371 7.8746 7.8746 9.1994 9.1994 10.5646 10.5646 10.6745 10.6745 12.5487 12.5487 12.6359 12.6359 k = 0.5000 0.5000 0.0500 ( 5240 PWs) bands (ev): -7.9409 -7.9409 -6.3554 -6.3554 -6.3487 -6.3487 -6.3007 -6.3007 -2.8232 -2.8232 0.6761 0.6761 1.4491 1.4491 1.4904 1.4904 2.1905 2.1905 2.2131 2.2131 2.7174 2.7174 2.8956 2.8956 3.2279 3.2279 3.2337 3.2337 3.3442 3.3442 3.4134 3.4134 4.7131 4.7131 4.8061 4.8061 4.8983 4.8983 4.9656 4.9656 5.0069 5.0069 5.0659 5.0659 5.0862 5.0862 5.4583 5.4583 5.5113 5.5113 5.5974 5.5974 5.8617 5.8617 6.3607 6.3607 6.3867 6.3867 6.5797 6.5797 7.1360 7.1360 7.8542 7.8542 9.2076 9.2076 10.5541 10.5541 10.6638 10.6638 12.5393 12.5393 12.6041 12.6041 k = 0.5000 0.5000 0.0667 ( 5240 PWs) bands (ev): -7.9395 -7.9395 -6.3546 -6.3546 -6.3479 -6.3479 -6.3008 -6.3008 -2.8302 -2.8302 0.6766 0.6766 1.4129 1.4129 1.4525 1.4525 2.2266 2.2266 2.2507 2.2507 2.7045 2.7045 2.9209 2.9209 3.2271 3.2271 3.2347 3.2347 3.3422 3.3422 3.4138 3.4138 4.7077 4.7077 4.8105 4.8105 4.8979 4.8979 4.9677 4.9677 5.0084 5.0084 5.0654 5.0654 5.0877 5.0877 5.4571 5.4571 5.5256 5.5256 5.5766 5.5766 5.8950 5.8950 6.3633 6.3633 6.3937 6.3937 6.5837 6.5837 7.1346 7.1346 7.8263 7.8263 9.2185 9.2185 10.5394 10.5394 10.6487 10.6487 12.5283 12.5283 12.5625 12.5625 k = 0.5000 0.5000 0.0833 ( 5232 PWs) bands (ev): -7.9378 -7.9378 -6.3537 -6.3537 -6.3469 -6.3469 -6.3010 -6.3010 -2.8390 -2.8390 0.6770 0.6770 1.3711 1.3711 1.4092 1.4092 2.2681 2.2681 2.2936 2.2936 2.6934 2.6934 2.9482 2.9482 3.2263 3.2263 3.2357 3.2357 3.3398 3.3398 3.4141 3.4141 4.7016 4.7016 4.8150 4.8150 4.8979 4.8979 4.9704 4.9704 5.0101 5.0101 5.0649 5.0649 5.0895 5.0895 5.4570 5.4570 5.5407 5.5407 5.5571 5.5571 5.9317 5.9317 6.3673 6.3673 6.4024 6.4024 6.5888 6.5888 7.1327 7.1327 7.7914 7.7914 9.2318 9.2318 10.5205 10.5205 10.6294 10.6294 12.5107 12.5107 12.5147 12.5147 k = 0.5000 0.5000 0.1000 ( 5232 PWs) bands (ev): -7.9357 -7.9357 -6.3525 -6.3525 -6.3458 -6.3458 -6.3011 -6.3011 -2.8495 -2.8495 0.6772 0.6772 1.3258 1.3258 1.3623 1.3623 2.3130 2.3130 2.3399 2.3399 2.6847 2.6847 2.9764 2.9764 3.2256 3.2256 3.2368 3.2368 3.3370 3.3370 3.4145 3.4145 4.6952 4.6952 4.8193 4.8193 4.8983 4.8983 4.9735 4.9735 5.0121 5.0121 5.0644 5.0644 5.0914 5.0914 5.4571 5.4571 5.5375 5.5375 5.5594 5.5594 5.9709 5.9709 6.3729 6.3729 6.4128 6.4128 6.5950 6.5950 7.1304 7.1304 7.7501 7.7501 9.2471 9.2471 10.4974 10.4974 10.6057 10.6057 12.4577 12.4577 12.4607 12.4607 k = 0.5000 0.5000 0.1167 ( 5240 PWs) bands (ev): -7.9332 -7.9332 -6.3512 -6.3512 -6.3444 -6.3444 -6.3014 -6.3014 -2.8616 -2.8616 0.6770 0.6770 1.2781 1.2781 1.3133 1.3133 2.3600 2.3600 2.3883 2.3883 2.6789 2.6789 3.0052 3.0052 3.2249 3.2249 3.2378 3.2378 3.3339 3.3339 3.4148 3.4148 4.6886 4.6886 4.8231 4.8231 4.8994 4.8994 4.9768 4.9768 5.0142 5.0142 5.0641 5.0641 5.0935 5.0935 5.4558 5.4558 5.5246 5.5246 5.5763 5.5763 6.0119 6.0119 6.3806 6.3806 6.4251 6.4251 6.6022 6.6022 7.1276 7.1276 7.7031 7.7031 9.2638 9.2638 10.4700 10.4700 10.5776 10.5776 12.3993 12.3993 12.4029 12.4029 k = 0.5000 0.5000 0.1333 ( 5252 PWs) bands (ev): -7.9304 -7.9304 -6.3496 -6.3496 -6.3429 -6.3429 -6.3016 -6.3016 -2.8750 -2.8750 0.6764 0.6764 1.2292 1.2292 1.2632 1.2632 2.4080 2.4080 2.4375 2.4375 2.6763 2.6763 3.0341 3.0341 3.2243 3.2243 3.2390 3.2390 3.3305 3.3305 3.4150 3.4150 4.6821 4.6821 4.8263 4.8263 4.9011 4.9011 4.9805 4.9805 5.0164 5.0164 5.0638 5.0638 5.0956 5.0956 5.4515 5.4515 5.5174 5.5174 5.5936 5.5936 6.0546 6.0546 6.3905 6.3905 6.4393 6.4393 6.6103 6.6103 7.1245 7.1245 7.6512 7.6512 9.2815 9.2815 10.4385 10.4385 10.5452 10.5452 12.3389 12.3389 12.3431 12.3431 k = 0.5000 0.5000 0.1500 ( 5236 PWs) bands (ev): -7.9274 -7.9274 -6.3480 -6.3480 -6.3412 -6.3412 -6.3019 -6.3019 -2.8897 -2.8897 0.6752 0.6752 1.1799 1.1799 1.2127 1.2127 2.4562 2.4562 2.4868 2.4868 2.6773 2.6773 3.0629 3.0629 3.2237 3.2237 3.2402 3.2402 3.3269 3.3269 3.4152 3.4152 4.6758 4.6758 4.8289 4.8289 4.9036 4.9036 4.9845 4.9845 5.0187 5.0187 5.0638 5.0638 5.0979 5.0979 5.4442 5.4442 5.5166 5.5166 5.6108 5.6108 6.0986 6.0986 6.4030 6.4030 6.4557 6.4557 6.6194 6.6194 7.1211 7.1211 7.5949 7.5949 9.2999 9.2999 10.4029 10.4029 10.5086 10.5086 12.2778 12.2778 12.2827 12.2827 k = 0.5000 0.5000 0.1667 ( 5260 PWs) bands (ev): -7.9241 -7.9241 -6.3462 -6.3462 -6.3394 -6.3394 -6.3022 -6.3022 -2.9054 -2.9054 0.6733 0.6733 1.1307 1.1307 1.1625 1.1625 2.5039 2.5039 2.5356 2.5356 2.6818 2.6818 3.0911 3.0911 3.2232 3.2232 3.2414 3.2414 3.3232 3.3232 3.4152 3.4152 4.6696 4.6696 4.8310 4.8310 4.9065 4.9065 4.9885 4.9885 5.0208 5.0208 5.0636 5.0636 5.1001 5.1001 5.4355 5.4355 5.5202 5.5202 5.6271 5.6271 6.1437 6.1437 6.4182 6.4182 6.4743 6.4743 6.6293 6.6293 7.1171 7.1171 7.5348 7.5348 9.3185 9.3185 10.3633 10.3633 10.4679 10.4679 12.2171 12.2171 12.2228 12.2228 k = 0.5000 0.5000 0.1833 ( 5248 PWs) bands (ev): -7.9206 -7.9206 -6.3443 -6.3443 -6.3375 -6.3375 -6.3026 -6.3026 -2.9218 -2.9218 0.6706 0.6706 1.0821 1.0821 1.1130 1.1130 2.5505 2.5505 2.5833 2.5833 2.6901 2.6901 3.1187 3.1187 3.2229 3.2229 3.2429 3.2429 3.3195 3.3195 3.4152 3.4152 4.6637 4.6637 4.8326 4.8326 4.9101 4.9101 4.9929 4.9929 5.0230 5.0230 5.0634 5.0634 5.1024 5.1024 5.4276 5.4276 5.5265 5.5265 5.6423 5.6423 6.1896 6.1896 6.4365 6.4365 6.4952 6.4952 6.6401 6.6401 7.1129 7.1129 7.4717 7.4717 9.3371 9.3371 10.3200 10.3200 10.4233 10.4233 12.1577 12.1577 12.1642 12.1642 k = 0.5000 0.5000 0.2000 ( 5240 PWs) bands (ev): -7.9168 -7.9168 -6.3423 -6.3423 -6.3355 -6.3355 -6.3029 -6.3029 -2.9389 -2.9389 0.6671 0.6671 1.0346 1.0346 1.0645 1.0645 2.5954 2.5954 2.6294 2.6294 2.7022 2.7022 3.1454 3.1454 3.2227 3.2227 3.2445 3.2445 3.3158 3.3158 3.4150 3.4150 4.6581 4.6581 4.8340 4.8340 4.9141 4.9141 4.9972 4.9972 5.0251 5.0251 5.0628 5.0628 5.1045 5.1045 5.4216 5.4216 5.5341 5.5341 5.6560 5.6560 6.2362 6.2362 6.4579 6.4579 6.5185 6.5185 6.6516 6.6516 7.1083 7.1083 7.4060 7.4060 9.3552 9.3552 10.2732 10.2732 10.3750 10.3750 12.1002 12.1002 12.1077 12.1077 k = 0.5000 0.5000 0.2167 ( 5232 PWs) bands (ev): -7.9130 -7.9130 -6.3402 -6.3402 -6.3334 -6.3334 -6.3033 -6.3033 -2.9563 -2.9563 0.6628 0.6628 0.9883 0.9883 1.0175 1.0175 2.6382 2.6382 2.6734 2.6734 2.7185 2.7185 3.1707 3.1707 3.2227 3.2227 3.2464 3.2464 3.3122 3.3122 3.4148 3.4148 4.6528 4.6528 4.8352 4.8352 4.9184 4.9184 5.0014 5.0014 5.0270 5.0270 5.0617 5.0617 5.1066 5.1066 5.4184 5.4184 5.5422 5.5422 5.6679 5.6679 6.2831 6.2831 6.4826 6.4826 6.5442 6.5442 6.6637 6.6637 7.1034 7.1034 7.3385 7.3385 9.3728 9.3728 10.2232 10.2232 10.3234 10.3234 12.0453 12.0453 12.0537 12.0537 k = 0.5000 0.5000 0.2333 ( 5232 PWs) bands (ev): -7.9090 -7.9090 -6.3381 -6.3381 -6.3312 -6.3312 -6.3038 -6.3038 -2.9740 -2.9740 0.6577 0.6577 0.9437 0.9437 0.9721 0.9721 2.6778 2.6778 2.7142 2.7142 2.7400 2.7400 3.1944 3.1944 3.2228 3.2228 3.2489 3.2489 3.3088 3.3088 3.4144 3.4144 4.6478 4.6478 4.8361 4.8361 4.9230 4.9230 5.0054 5.0054 5.0289 5.0289 5.0601 5.0601 5.1087 5.1087 5.4181 5.4181 5.5502 5.5502 5.6777 5.6777 6.3303 6.3303 6.5103 6.5103 6.5722 6.5722 6.6765 6.6765 7.0981 7.0981 7.2695 7.2695 9.3895 9.3895 10.1704 10.1704 10.2690 10.2690 11.9932 11.9932 12.0026 12.0026 k = 0.5000 0.5000 0.2500 ( 5224 PWs) bands (ev): -7.9050 -7.9050 -6.3359 -6.3359 -6.3290 -6.3290 -6.3042 -6.3042 -2.9917 -2.9917 0.6519 0.6519 0.9009 0.9009 0.9285 0.9285 2.7135 2.7135 2.7501 2.7501 2.7687 2.7687 3.2153 3.2153 3.2231 3.2231 3.2528 3.2528 3.3058 3.3058 3.4139 3.4139 4.6432 4.6432 4.8370 4.8370 4.9278 4.9278 5.0091 5.0091 5.0307 5.0307 5.0580 5.0580 5.1106 5.1106 5.4212 5.4212 5.5580 5.5580 5.6854 5.6854 6.3773 6.3773 6.5410 6.5410 6.6024 6.6024 6.6900 6.6900 7.0924 7.0924 7.1997 7.1997 9.4052 9.4052 10.1154 10.1154 10.2121 10.2121 11.9442 11.9442 11.9547 11.9547 k = 0.5000 0.5000 0.2667 ( 5228 PWs) bands (ev): -7.9009 -7.9009 -6.3338 -6.3338 -6.3269 -6.3269 -6.3047 -6.3047 -3.0091 -3.0091 0.6454 0.6454 0.8601 0.8601 0.8870 0.8870 2.7451 2.7451 2.7824 2.7824 2.8026 2.8026 3.2235 3.2235 3.2310 3.2310 3.2603 3.2603 3.3033 3.3033 3.4134 3.4134 4.6390 4.6390 4.8376 4.8376 4.9328 4.9328 5.0121 5.0121 5.0323 5.0323 5.0558 5.0558 5.1125 5.1125 5.4274 5.4274 5.5653 5.5653 5.6909 5.6909 6.4239 6.4239 6.5742 6.5742 6.6345 6.6345 6.7040 6.7040 7.0861 7.0861 7.1299 7.1299 9.4196 9.4196 10.0586 10.0586 10.1533 10.1533 11.8985 11.8985 11.9100 11.9100 k = 0.5000 0.5000 0.2833 ( 5228 PWs) bands (ev): -7.8969 -7.8969 -6.3317 -6.3317 -6.3247 -6.3247 -6.3051 -6.3051 -3.0262 -3.0262 0.6384 0.6384 0.8215 0.8215 0.8477 0.8477 2.7737 2.7737 2.8140 2.8140 2.8368 2.8368 3.2243 3.2243 3.2395 3.2395 3.2726 3.2726 3.3021 3.3021 3.4128 3.4128 4.6351 4.6351 4.8380 4.8380 4.9379 4.9379 5.0139 5.0139 5.0339 5.0339 5.0540 5.0540 5.1142 5.1142 5.4367 5.4367 5.5720 5.5720 5.6943 5.6943 6.4697 6.4697 6.6095 6.6095 6.6680 6.6680 6.7189 6.7189 7.0573 7.0573 7.0827 7.0827 9.4327 9.4327 10.0008 10.0008 10.0933 10.0933 11.8561 11.8561 11.8686 11.8686 k = 0.5000 0.5000 0.3000 ( 5228 PWs) bands (ev): -7.8930 -7.8930 -6.3296 -6.3296 -6.3226 -6.3226 -6.3056 -6.3056 -3.0428 -3.0428 0.6310 0.6310 0.7854 0.7854 0.8107 0.8107 2.8009 2.8009 2.8449 2.8449 2.8691 2.8691 3.2253 3.2253 3.2436 3.2436 3.2845 3.2845 3.3047 3.3047 3.4122 3.4122 4.6315 4.6315 4.8381 4.8381 4.9432 4.9432 5.0143 5.0143 5.0353 5.0353 5.0533 5.0533 5.1157 5.1157 5.4489 5.4489 5.5781 5.5781 5.6958 5.6958 6.5145 6.5145 6.6461 6.6461 6.7019 6.7019 6.7355 6.7355 6.9891 6.9891 7.0753 7.0753 9.4441 9.4441 9.9426 9.9426 10.0328 10.0328 11.8171 11.8171 11.8305 11.8305 k = 0.5000 0.5000 0.3167 ( 5216 PWs) bands (ev): -7.8891 -7.8891 -6.3277 -6.3277 -6.3205 -6.3205 -6.3061 -6.3061 -3.0586 -3.0586 0.6233 0.6233 0.7518 0.7518 0.7763 0.7763 2.8275 2.8275 2.8742 2.8742 2.8990 2.8990 3.2266 3.2266 3.2458 3.2458 3.2893 3.2893 3.3151 3.3151 3.4116 3.4116 4.6283 4.6283 4.8378 4.8378 4.9486 4.9486 5.0130 5.0130 5.0366 5.0366 5.0542 5.0542 5.1170 5.1170 5.4635 5.4635 5.5835 5.5835 5.6955 5.6955 6.5576 6.5576 6.6825 6.6825 6.7338 6.7338 6.7564 6.7564 6.9215 6.9215 7.0688 7.0688 9.4539 9.4539 9.8848 9.8848 9.9725 9.9725 11.7815 11.7815 11.7959 11.7959 k = 0.5000 0.5000 0.3333 ( 5240 PWs) bands (ev): -7.8855 -7.8855 -6.3258 -6.3258 -6.3186 -6.3186 -6.3065 -6.3065 -3.0736 -3.0736 0.6155 0.6155 0.7209 0.7209 0.7445 0.7445 2.8534 2.8534 2.9014 2.9014 2.9262 2.9262 3.2281 3.2281 3.2472 3.2472 3.2900 3.2900 3.3292 3.3292 3.4109 3.4109 4.6254 4.6254 4.8371 4.8371 4.9539 4.9539 5.0102 5.0102 5.0379 5.0379 5.0564 5.0564 5.1179 5.1179 5.4802 5.4802 5.5884 5.5884 5.6935 5.6935 6.5985 6.5985 6.7162 6.7162 6.7605 6.7605 6.7851 6.7851 6.8564 6.8564 7.0623 7.0623 9.4617 9.4617 9.8284 9.8284 9.9131 9.9131 11.7492 11.7492 11.7645 11.7645 k = 0.5000 0.5000 0.3500 ( 5232 PWs) bands (ev): -7.8820 -7.8820 -6.3241 -6.3241 -6.3167 -6.3167 -6.3069 -6.3069 -3.0876 -3.0876 0.6075 0.6075 0.6929 0.6929 0.7154 0.7154 2.8784 2.8784 2.9265 2.9265 2.9506 2.9506 3.2299 3.2299 3.2480 3.2480 3.2901 3.2901 3.3433 3.3433 3.4102 3.4102 4.6229 4.6229 4.8360 4.8360 4.9593 4.9593 5.0067 5.0067 5.0394 5.0394 5.0596 5.0596 5.1185 5.1185 5.4986 5.4986 5.5929 5.5929 5.6903 5.6903 6.6362 6.6362 6.7428 6.7428 6.7875 6.7875 6.7914 6.7914 6.8235 6.8235 7.0559 7.0559 9.4675 9.4675 9.7744 9.7744 9.8555 9.8555 11.7201 11.7201 11.7363 11.7363 k = 0.5000 0.5000 0.3667 ( 5232 PWs) bands (ev): -7.8787 -7.8787 -6.3225 -6.3225 -6.3150 -6.3150 -6.3072 -6.3072 -3.1004 -3.1004 0.5995 0.5995 0.6681 0.6681 0.6891 0.6891 2.9020 2.9020 2.9493 2.9493 2.9720 2.9720 3.2320 3.2320 3.2483 3.2483 3.2904 3.2904 3.3563 3.3563 3.4096 3.4096 4.6208 4.6208 4.8343 4.8343 4.9644 4.9644 5.0029 5.0029 5.0411 5.0411 5.0634 5.0634 5.1185 5.1185 5.5182 5.5182 5.5972 5.5972 5.6859 5.6859 6.6659 6.6659 6.7342 6.7342 6.7669 6.7669 6.8203 6.8203 6.8564 6.8564 7.0496 7.0496 9.4708 9.4708 9.7241 9.7241 9.8006 9.8006 11.6942 11.6942 11.7113 11.7113 k = 0.5000 0.5000 0.3833 ( 5224 PWs) bands (ev): -7.8758 -7.8758 -6.3212 -6.3212 -6.3135 -6.3135 -6.3075 -6.3075 -3.1120 -3.1120 0.5915 0.5915 0.6466 0.6466 0.6657 0.6657 2.9237 2.9237 2.9698 2.9698 2.9906 2.9906 3.2342 3.2342 3.2484 3.2484 3.2910 3.2910 3.3680 3.3680 3.4090 3.4090 4.6190 4.6190 4.8323 4.8323 4.9692 4.9692 4.9993 4.9993 5.0430 5.0430 5.0676 5.0676 5.1181 5.1181 5.5385 5.5385 5.6012 5.6012 5.6806 5.6806 6.6549 6.6549 6.7229 6.7229 6.7809 6.7809 6.8542 6.8542 6.8898 6.8898 7.0436 7.0436 9.4713 9.4713 9.6787 9.6787 9.7492 9.7492 11.6714 11.6714 11.6894 11.6894 k = 0.5000 0.5000 0.4000 ( 5236 PWs) bands (ev): -7.8731 -7.8731 -6.3200 -6.3200 -6.3121 -6.3121 -6.3077 -6.3077 -3.1223 -3.1223 0.5833 0.5833 0.6287 0.6287 0.6453 0.6453 2.9429 2.9429 2.9881 2.9881 3.0064 3.0064 3.2365 3.2365 3.2481 3.2481 3.2918 3.2918 3.3782 3.3782 3.4085 3.4085 4.6174 4.6174 4.8300 4.8300 4.9736 4.9736 4.9960 4.9960 5.0449 5.0449 5.0720 5.0720 5.1170 5.1170 5.5587 5.5587 5.6053 5.6053 5.6747 5.6747 6.6087 6.6087 6.7462 6.7462 6.7937 6.7937 6.8869 6.8869 6.9210 6.9210 7.0382 7.0382 9.4683 9.4683 9.6399 9.6399 9.7023 9.7023 11.6515 11.6515 11.6705 11.6705 k = 0.5000 0.5000 0.4167 ( 5244 PWs) bands (ev): -7.8708 -7.8708 -6.3190 -6.3190 -6.3109 -6.3109 -6.3078 -6.3078 -3.1311 -3.1311 0.5751 0.5751 0.6145 0.6145 0.6280 0.6280 2.9593 2.9593 3.0042 3.0042 3.0194 3.0194 3.2389 3.2389 3.2477 3.2477 3.2928 3.2928 3.3869 3.3869 3.4080 3.4080 4.6162 4.6162 4.8276 4.8276 4.9774 4.9774 4.9932 4.9932 5.0468 5.0468 5.0764 5.0764 5.1154 5.1154 5.5783 5.5783 5.6095 5.6095 5.6682 5.6682 6.5626 6.5626 6.7705 6.7705 6.8049 6.8049 6.9168 6.9168 6.9487 6.9487 7.0339 7.0339 9.4614 9.4614 9.6091 9.6091 9.6607 9.6607 11.6343 11.6343 11.6546 11.6546 k = 0.5000 0.5000 0.4333 ( 5260 PWs) bands (ev): -7.8689 -7.8689 -6.3183 -6.3183 -6.3099 -6.3099 -6.3079 -6.3079 -3.1384 -3.1384 0.5672 0.5672 0.6040 0.6040 0.6137 0.6137 2.9727 2.9727 3.0179 3.0179 3.0298 3.0298 3.2410 3.2410 3.2473 3.2473 3.2939 3.2939 3.3941 3.3941 3.4075 3.4075 4.6152 4.6152 4.8252 4.8252 4.9806 4.9806 4.9909 4.9909 5.0485 5.0485 5.0810 5.0810 5.1131 5.1131 5.5963 5.5963 5.6139 5.6139 5.6616 5.6616 6.5219 6.5219 6.7915 6.7915 6.8144 6.8144 6.9429 6.9429 6.9712 6.9712 7.0313 7.0313 9.4510 9.4510 9.5871 9.5871 9.6252 9.6252 11.6199 11.6199 11.6417 11.6417 k = 0.5000 0.5000 0.4500 ( 5256 PWs) bands (ev): -7.8674 -7.8674 -6.3177 -6.3177 -6.3091 -6.3091 -6.3079 -6.3079 -3.1442 -3.1442 0.5600 0.5600 0.5966 0.5966 0.6025 0.6025 2.9830 2.9830 3.0292 3.0292 3.0375 3.0375 3.2430 3.2430 3.2468 3.2468 3.2949 3.2949 3.3996 3.3996 3.4073 3.4073 4.6144 4.6144 4.8231 4.8231 4.9831 4.9831 4.9892 4.9892 5.0501 5.0501 5.0856 5.0856 5.1103 5.1103 5.6118 5.6118 5.6187 5.6187 5.6548 5.6548 6.4883 6.4883 6.8084 6.8084 6.8223 6.8223 6.9643 6.9643 6.9869 6.9869 7.0317 7.0317 9.4388 9.4388 9.5728 9.5728 9.5967 9.5967 11.6080 11.6080 11.6317 11.6317 k = 0.5000 0.5000 0.4667 ( 5232 PWs) bands (ev): -7.8663 -7.8663 -6.3173 -6.3173 -6.3085 -6.3085 -6.3079 -6.3079 -3.1483 -3.1483 0.5544 0.5544 0.5917 0.5917 0.5946 0.5946 2.9903 2.9903 3.0376 3.0376 3.0428 3.0428 3.2445 3.2445 3.2465 3.2465 3.2958 3.2958 3.4037 3.4037 3.4071 3.4071 4.6140 4.6140 4.8216 4.8216 4.9850 4.9850 4.9882 4.9882 5.0514 5.0514 5.0903 5.0903 5.1071 5.1071 5.6228 5.6228 5.6249 5.6249 5.6481 5.6481 6.4632 6.4632 6.8207 6.8207 6.8280 6.8280 6.9803 6.9803 6.9949 6.9949 7.0354 7.0354 9.4277 9.4277 9.5645 9.5645 9.5758 9.5758 11.5989 11.5989 11.6245 11.6245 k = 0.5000 0.5000 0.4833 ( 5232 PWs) bands (ev): -7.8656 -7.8656 -6.3171 -6.3171 -6.3081 -6.3081 -6.3079 -6.3079 -3.1509 -3.1509 0.5509 0.5509 0.5890 0.5890 0.5898 0.5898 2.9946 2.9946 3.0432 3.0432 3.0456 3.0456 3.2455 3.2455 3.2463 3.2463 3.2963 3.2963 3.4061 3.4061 3.4070 3.4070 4.6137 4.6137 4.8205 4.8205 4.9862 4.9862 4.9874 4.9874 5.0522 5.0522 5.0948 5.0948 5.1033 5.1033 5.6288 5.6288 5.6320 5.6320 5.6417 5.6417 6.4477 6.4477 6.8284 6.8284 6.8314 6.8314 6.9907 6.9907 6.9972 6.9972 7.0397 7.0397 9.4201 9.4201 9.5601 9.5601 9.5631 9.5631 11.5931 11.5931 11.6203 11.6203 k = 0.5000 0.5000 0.5000 ( 5232 PWs) bands (ev): -7.8654 -7.8654 -6.3170 -6.3170 -6.3079 -6.3079 -6.3079 -6.3079 -3.1517 -3.1517 0.5497 0.5497 0.5881 0.5881 0.5881 0.5881 2.9960 2.9960 3.0458 3.0458 3.0458 3.0458 3.2460 3.2460 3.2460 3.2460 3.2965 3.2965 3.4069 3.4069 3.4069 3.4069 4.6136 4.6136 4.8202 4.8202 4.9869 4.9869 4.9869 4.9869 5.0525 5.0525 5.0992 5.0992 5.0992 5.0992 5.6338 5.6338 5.6338 5.6338 5.6372 5.6372 6.4424 6.4424 6.8317 6.8317 6.8317 6.8317 6.9959 6.9959 6.9959 6.9959 7.0415 7.0415 9.4173 9.4173 9.5588 9.5588 9.5588 9.5588 11.5911 11.5911 11.6188 11.6188 Writing output data file Cu3AsS4.save init_run : 0.45s CPU 0.87s WALL ( 1 calls) electrons : 389.22s CPU 395.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.12s WALL ( 1 calls) potinit : 0.03s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 389.22s CPU 395.17s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.11s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.03s WALL ( 234 calls) cegterg : 362.93s CPU 368.43s WALL ( 542 calls) Called by sum_band: Called by *egterg: h_psi : 199.31s CPU 205.90s WALL ( 9207 calls) s_psi : 17.29s CPU 17.80s WALL ( 9207 calls) g_psi : 0.30s CPU 0.31s WALL ( 8431 calls) cdiaghg : 126.49s CPU 123.73s WALL ( 8665 calls) cegterg:over : 14.71s CPU 14.54s WALL ( 8431 calls) cegterg:upda : 2.64s CPU 4.95s WALL ( 8431 calls) cegterg:last : 2.08s CPU 2.59s WALL ( 1244 calls) Called by h_psi: h_psi:vloc : 177.84s CPU 179.86s WALL ( 9207 calls) h_psi:vnl : 21.43s CPU 25.83s WALL ( 9207 calls) add_vuspsi : 13.78s CPU 15.66s WALL ( 9207 calls) General routines calbec : 7.64s CPU 10.16s WALL ( 9207 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 177.40s CPU 176.34s WALL ( 1176112 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.02s CPU 0.13s WALL ( 468 calls) Parallel routines fft_scatter : 171.01s CPU 124.66s WALL ( 1176135 calls) PWSCF : 7m 6.29s CPU 7m21.35s WALL This run was terminated on: 18: 4:24 3Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=