Program PWSCF v.5.1.1 starts on 20Dec2015 at 2:17:43 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./SbPtSe.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 102 39 11 5422 1255 192 Max 103 40 13 5427 1286 197 Sum 4925 1877 545 260355 60941 9315 bravais-lattice index = 14 lattice parameter (alat) = 11.9620 a.u. unit-cell volume = 1711.6211 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 84.00 number of Kohn-Sham states= 100 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.961966 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 Se read from file: /home/autes/Pseudo/Se_MT_PBE.UPF MD5 check sum: 8b5aa0a73ac3f20b8f2ba32420215307 Pseudo is Norm-conserving, Zval = 6.0 Generated using "atomic" code by A. Dal Corso (espresso distribution) Using radial grid of 1211 points, 3 beta functions with: l(1) = 0 l(2) = 1 l(3) = 1 PseudoPot. # 2 for Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 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 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Pt read from file: /home/autes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Sb 5.00 121.76000 Sb( 1.00) Pt 10.00 195.08400 Pt( 1.00) 12 Sym. Ops. (no inversion) found ( 9 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.5000000 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 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 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) cart. s( 6) = ( -0.0000000 -1.0000000 0.0000000 ) f =( 0.0000000 ) ( -0.0000000 0.0000000 1.0000000 ) ( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) isym = 7 120 deg rotation - cart. axis [1,1,-1] cryst. s( 7) = ( 0 0 -1 ) f =( -0.5000000 ) ( 1 0 0 ) ( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) cart. s( 7) = ( -0.0000000 1.0000000 -0.0000000 ) f =( -0.5000000 ) ( -0.0000000 0.0000000 -1.0000000 ) ( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 ) isym = 8 120 deg rotation - cart. axis [1,-1,1] cryst. s( 8) = ( 0 0 1 ) f =( 0.5000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) cart. s( 8) = ( 0.0000000 -1.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -0.0000000 -1.0000000 ) ( -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( -0.5000000 ) 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 ) f =( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( 1 0 0 ) ( 0.0000000 ) cart. s(10) = ( -0.0000000 -0.0000000 1.0000000 ) f =( -0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) isym = 11 120 deg rotation - cart. axis [1,-1,-1] cryst. s(11) = ( 0 -1 0 ) f =( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) ( -1 0 0 ) ( -0.5000000 ) cart. s(11) = ( -0.0000000 0.0000000 -1.0000000 ) f =( 0.5000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.5000000 ) isym = 12 120 deg rotation - cart. axis [-1,-1,1] cryst. s(12) = ( 0 1 0 ) f =( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) ( -1 0 0 ) ( 0.5000000 ) cart. s(12) = ( 0.0000000 -0.0000000 -1.0000000 ) f =( 0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.5000000 ) double point group T (23) there are 7 classes and 3 irreducible representations the character table: E -E 3C2 4C3 -4C3 4C3' -4C3' -3C2 G_5 2.00 -2.00 0.00 1.00 -1.00 1.00 -1.00 G_6 2.00 -2.00 0.00 0.50 -0.50 -0.50 0.50 G_7 2.00 -2.00 0.00 0.50 -0.50 -0.50 0.50 imaginary part E -E 3C2 4C3 -4C3 4C3' -4C3' -3C2 G_5 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_6 0.00 0.00 0.00 0.87 -0.87 0.87 -0.87 G_7 0.00 0.00 0.00 -0.87 0.87 -0.87 0.87 the symmetry operations in each class: E 1 3C2 -3C2 2 -2 3 -3 4 -4 4C3' 5 7 8 6 4C3 9 12 10 11 -E -1 -4C3' -5 -7 -8 -6 -4C3 -9 -12 -10 -11 Cartesian axes number of k points= 196 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051020 k( 2) = ( 0.0000000 0.0200000 -0.0000000), wk = 0.0051020 k( 3) = ( 0.0000000 0.0400000 -0.0000000), wk = 0.0051020 k( 4) = ( 0.0000000 0.0600000 -0.0000000), wk = 0.0051020 k( 5) = ( 0.0000000 0.0800000 -0.0000000), wk = 0.0051020 k( 6) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0051020 k( 7) = ( 0.0000000 0.1200000 -0.0000000), wk = 0.0051020 k( 8) = ( 0.0000000 0.1400000 -0.0000000), wk = 0.0051020 k( 9) = ( 0.0000000 0.1600000 -0.0000000), wk = 0.0051020 k( 10) = ( 0.0000000 0.1800000 -0.0000000), wk = 0.0051020 k( 11) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0051020 k( 12) = ( 0.0000000 0.2200000 -0.0000000), wk = 0.0051020 k( 13) = ( 0.0000000 0.2400000 -0.0000000), wk = 0.0051020 k( 14) = ( 0.0000000 0.2600000 -0.0000000), wk = 0.0051020 k( 15) = ( 0.0000000 0.2800000 -0.0000000), wk = 0.0051020 k( 16) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0051020 k( 17) = ( 0.0000000 0.3200000 -0.0000000), wk = 0.0051020 k( 18) = ( 0.0000000 0.3400000 -0.0000000), wk = 0.0051020 k( 19) = ( 0.0000000 0.3600000 -0.0000000), wk = 0.0051020 k( 20) = ( 0.0000000 0.3800000 -0.0000000), wk = 0.0051020 k( 21) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0051020 k( 22) = ( 0.0000000 0.4200000 -0.0000000), wk = 0.0051020 k( 23) = ( 0.0000000 0.4400000 -0.0000000), wk = 0.0051020 k( 24) = ( 0.0000000 0.4600000 -0.0000000), wk = 0.0051020 k( 25) = ( 0.0000000 0.4800000 -0.0000000), wk = 0.0051020 k( 26) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0051020 k( 27) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0051020 k( 28) = ( 0.0200000 0.5000000 -0.0000000), wk = 0.0051020 k( 29) = ( 0.0400000 0.5000000 -0.0000000), wk = 0.0051020 k( 30) = ( 0.0600000 0.5000000 -0.0000000), wk = 0.0051020 k( 31) = ( 0.0800000 0.5000000 -0.0000000), wk = 0.0051020 k( 32) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0051020 k( 33) = ( 0.1200000 0.5000000 -0.0000000), wk = 0.0051020 k( 34) = ( 0.1400000 0.5000000 -0.0000000), wk = 0.0051020 k( 35) = ( 0.1600000 0.5000000 -0.0000000), wk = 0.0051020 k( 36) = ( 0.1800000 0.5000000 -0.0000000), wk = 0.0051020 k( 37) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0051020 k( 38) = ( 0.2200000 0.5000000 -0.0000000), wk = 0.0051020 k( 39) = ( 0.2400000 0.5000000 -0.0000000), wk = 0.0051020 k( 40) = ( 0.2600000 0.5000000 -0.0000000), wk = 0.0051020 k( 41) = ( 0.2800000 0.5000000 -0.0000000), wk = 0.0051020 k( 42) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0051020 k( 43) = ( 0.3200000 0.5000000 -0.0000000), wk = 0.0051020 k( 44) = ( 0.3400000 0.5000000 -0.0000000), wk = 0.0051020 k( 45) = ( 0.3600000 0.5000000 -0.0000000), wk = 0.0051020 k( 46) = ( 0.3800000 0.5000000 -0.0000000), wk = 0.0051020 k( 47) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0051020 k( 48) = ( 0.4200000 0.5000000 -0.0000000), wk = 0.0051020 k( 49) = ( 0.4400000 0.5000000 -0.0000000), wk = 0.0051020 k( 50) = ( 0.4600000 0.5000000 -0.0000000), wk = 0.0051020 k( 51) = ( 0.4800000 0.5000000 -0.0000000), wk = 0.0051020 k( 52) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0051020 k( 53) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0051020 k( 54) = ( 0.4861111 0.4861111 -0.0000000), wk = 0.0051020 k( 55) = ( 0.4722222 0.4722222 -0.0000000), wk = 0.0051020 k( 56) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0051020 k( 57) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0051020 k( 58) = ( 0.4305556 0.4305556 -0.0000000), wk = 0.0051020 k( 59) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0051020 k( 60) = ( 0.4027778 0.4027778 -0.0000000), wk = 0.0051020 k( 61) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0051020 k( 62) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0051020 k( 63) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0051020 k( 64) = ( 0.3472222 0.3472222 -0.0000000), wk = 0.0051020 k( 65) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0051020 k( 66) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0051020 k( 67) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0051020 k( 68) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0051020 k( 69) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0051020 k( 70) = ( 0.2638889 0.2638889 -0.0000000), wk = 0.0051020 k( 71) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0051020 k( 72) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0051020 k( 73) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0051020 k( 74) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0051020 k( 75) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0051020 k( 76) = ( 0.1805556 0.1805556 -0.0000000), wk = 0.0051020 k( 77) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0051020 k( 78) = ( 0.1527778 0.1527778 -0.0000000), wk = 0.0051020 k( 79) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0051020 k( 80) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0051020 k( 81) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0051020 k( 82) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0051020 k( 83) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0051020 k( 84) = ( 0.0694444 0.0694444 -0.0000000), wk = 0.0051020 k( 85) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0051020 k( 86) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0051020 k( 87) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0051020 k( 88) = ( 0.0138889 0.0138889 -0.0000000), wk = 0.0051020 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051020 k( 90) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051020 k( 91) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0051020 k( 92) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0051020 k( 93) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0051020 k( 94) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0051020 k( 95) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0051020 k( 96) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0051020 k( 97) = ( 0.0813954 0.0813953 0.0813953), wk = 0.0051020 k( 98) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0051020 k( 99) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0051020 k( 100) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0051020 k( 101) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0051020 k( 102) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0051020 k( 103) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0051020 k( 104) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0051020 k( 105) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0051020 k( 106) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0051020 k( 107) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0051020 k( 108) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0051020 k( 109) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0051020 k( 110) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0051020 k( 111) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0051020 k( 112) = ( 0.2558140 0.2558140 0.2558139), wk = 0.0051020 k( 113) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0051020 k( 114) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0051020 k( 115) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0051020 k( 116) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0051020 k( 117) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0051020 k( 118) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0051020 k( 119) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0051020 k( 120) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0051020 k( 121) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0051020 k( 122) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0051020 k( 123) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0051020 k( 124) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0051020 k( 125) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0051020 k( 126) = ( 0.4186047 0.4186046 0.4186046), wk = 0.0051020 k( 127) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0051020 k( 128) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0051020 k( 129) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0051020 k( 130) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0051020 k( 131) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0051020 k( 132) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0051020 k( 133) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051020 k( 134) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051020 k( 135) = ( 0.4861111 0.5000000 0.4861111), wk = 0.0051020 k( 136) = ( 0.4722222 0.5000000 0.4722222), wk = 0.0051020 k( 137) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0051020 k( 138) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0051020 k( 139) = ( 0.4305556 0.5000000 0.4305556), wk = 0.0051020 k( 140) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0051020 k( 141) = ( 0.4027778 0.5000000 0.4027778), wk = 0.0051020 k( 142) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0051020 k( 143) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0051020 k( 144) = ( 0.3611111 0.5000000 0.3611111), wk = 0.0051020 k( 145) = ( 0.3472222 0.5000000 0.3472222), wk = 0.0051020 k( 146) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0051020 k( 147) = ( 0.3194444 0.5000000 0.3194444), wk = 0.0051020 k( 148) = ( 0.3055556 0.5000000 0.3055556), wk = 0.0051020 k( 149) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0051020 k( 150) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0051020 k( 151) = ( 0.2638889 0.5000000 0.2638889), wk = 0.0051020 k( 152) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0051020 k( 153) = ( 0.2361111 0.5000000 0.2361111), wk = 0.0051020 k( 154) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0051020 k( 155) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0051020 k( 156) = ( 0.1944444 0.5000000 0.1944444), wk = 0.0051020 k( 157) = ( 0.1805556 0.5000000 0.1805556), wk = 0.0051020 k( 158) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0051020 k( 159) = ( 0.1527778 0.5000000 0.1527778), wk = 0.0051020 k( 160) = ( 0.1388889 0.5000000 0.1388889), wk = 0.0051020 k( 161) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0051020 k( 162) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0051020 k( 163) = ( 0.0972222 0.5000000 0.0972222), wk = 0.0051020 k( 164) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0051020 k( 165) = ( 0.0694444 0.5000000 0.0694444), wk = 0.0051020 k( 166) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0051020 k( 167) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0051020 k( 168) = ( 0.0277778 0.5000000 0.0277778), wk = 0.0051020 k( 169) = ( 0.0138889 0.5000000 0.0138889), wk = 0.0051020 k( 170) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0051020 k( 171) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0051020 k( 172) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0051020 k( 173) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0051020 k( 174) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0051020 k( 175) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0051020 k( 176) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0051020 k( 177) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0051020 k( 178) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0051020 k( 179) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0051020 k( 180) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0051020 k( 181) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0051020 k( 182) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0051020 k( 183) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0051020 k( 184) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0051020 k( 185) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0051020 k( 186) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0051020 k( 187) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0051020 k( 188) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0051020 k( 189) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0051020 k( 190) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0051020 k( 191) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0051020 k( 192) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0051020 k( 193) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0051020 k( 194) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0051020 k( 195) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0051020 k( 196) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051020 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051020 k( 2) = ( 0.0000000 0.0200000 0.0000000), wk = 0.0051020 k( 3) = ( 0.0000000 0.0400000 0.0000000), wk = 0.0051020 k( 4) = ( 0.0000000 0.0600000 0.0000000), wk = 0.0051020 k( 5) = ( 0.0000000 0.0800000 0.0000000), wk = 0.0051020 k( 6) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0051020 k( 7) = ( 0.0000000 0.1200000 0.0000000), wk = 0.0051020 k( 8) = ( 0.0000000 0.1400000 0.0000000), wk = 0.0051020 k( 9) = ( 0.0000000 0.1600000 0.0000000), wk = 0.0051020 k( 10) = ( 0.0000000 0.1800000 0.0000000), wk = 0.0051020 k( 11) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0051020 k( 12) = ( 0.0000000 0.2200000 0.0000000), wk = 0.0051020 k( 13) = ( 0.0000000 0.2400000 0.0000000), wk = 0.0051020 k( 14) = ( 0.0000000 0.2600000 0.0000000), wk = 0.0051020 k( 15) = ( 0.0000000 0.2800000 0.0000000), wk = 0.0051020 k( 16) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0051020 k( 17) = ( 0.0000000 0.3200000 0.0000000), wk = 0.0051020 k( 18) = ( 0.0000000 0.3400000 0.0000000), wk = 0.0051020 k( 19) = ( 0.0000000 0.3600000 0.0000000), wk = 0.0051020 k( 20) = ( 0.0000000 0.3800000 0.0000000), wk = 0.0051020 k( 21) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0051020 k( 22) = ( 0.0000000 0.4200000 0.0000000), wk = 0.0051020 k( 23) = ( 0.0000000 0.4400000 0.0000000), wk = 0.0051020 k( 24) = ( 0.0000000 0.4600000 0.0000000), wk = 0.0051020 k( 25) = ( 0.0000000 0.4800000 0.0000000), wk = 0.0051020 k( 26) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0051020 k( 27) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0051020 k( 28) = ( 0.0200000 0.5000000 0.0000000), wk = 0.0051020 k( 29) = ( 0.0400000 0.5000000 0.0000000), wk = 0.0051020 k( 30) = ( 0.0600000 0.5000000 0.0000000), wk = 0.0051020 k( 31) = ( 0.0800000 0.5000000 0.0000000), wk = 0.0051020 k( 32) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0051020 k( 33) = ( 0.1200000 0.5000000 0.0000000), wk = 0.0051020 k( 34) = ( 0.1400000 0.5000000 0.0000000), wk = 0.0051020 k( 35) = ( 0.1600000 0.5000000 0.0000000), wk = 0.0051020 k( 36) = ( 0.1800000 0.5000000 0.0000000), wk = 0.0051020 k( 37) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0051020 k( 38) = ( 0.2200000 0.5000000 0.0000000), wk = 0.0051020 k( 39) = ( 0.2400000 0.5000000 0.0000000), wk = 0.0051020 k( 40) = ( 0.2600000 0.5000000 0.0000000), wk = 0.0051020 k( 41) = ( 0.2800000 0.5000000 0.0000000), wk = 0.0051020 k( 42) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0051020 k( 43) = ( 0.3200000 0.5000000 0.0000000), wk = 0.0051020 k( 44) = ( 0.3400000 0.5000000 0.0000000), wk = 0.0051020 k( 45) = ( 0.3600000 0.5000000 -0.0000000), wk = 0.0051020 k( 46) = ( 0.3800000 0.5000000 0.0000000), wk = 0.0051020 k( 47) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0051020 k( 48) = ( 0.4200000 0.5000000 0.0000000), wk = 0.0051020 k( 49) = ( 0.4400000 0.5000000 0.0000000), wk = 0.0051020 k( 50) = ( 0.4600000 0.5000000 0.0000000), wk = 0.0051020 k( 51) = ( 0.4800000 0.5000000 0.0000000), wk = 0.0051020 k( 52) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0051020 k( 53) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0051020 k( 54) = ( 0.4861111 0.4861111 0.0000000), wk = 0.0051020 k( 55) = ( 0.4722222 0.4722222 0.0000000), wk = 0.0051020 k( 56) = ( 0.4583333 0.4583333 0.0000000), wk = 0.0051020 k( 57) = ( 0.4444444 0.4444444 0.0000000), wk = 0.0051020 k( 58) = ( 0.4305556 0.4305556 0.0000000), wk = 0.0051020 k( 59) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0051020 k( 60) = ( 0.4027778 0.4027778 0.0000000), wk = 0.0051020 k( 61) = ( 0.3888889 0.3888889 0.0000000), wk = 0.0051020 k( 62) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0051020 k( 63) = ( 0.3611111 0.3611111 0.0000000), wk = 0.0051020 k( 64) = ( 0.3472222 0.3472222 0.0000000), wk = 0.0051020 k( 65) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0051020 k( 66) = ( 0.3194444 0.3194444 0.0000000), wk = 0.0051020 k( 67) = ( 0.3055556 0.3055556 0.0000000), wk = 0.0051020 k( 68) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0051020 k( 69) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0051020 k( 70) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0051020 k( 71) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0051020 k( 72) = ( 0.2361111 0.2361111 0.0000000), wk = 0.0051020 k( 73) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0051020 k( 74) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0051020 k( 75) = ( 0.1944444 0.1944444 0.0000000), wk = 0.0051020 k( 76) = ( 0.1805556 0.1805556 -0.0000000), wk = 0.0051020 k( 77) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0051020 k( 78) = ( 0.1527778 0.1527778 0.0000000), wk = 0.0051020 k( 79) = ( 0.1388889 0.1388889 0.0000000), wk = 0.0051020 k( 80) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0051020 k( 81) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0051020 k( 82) = ( 0.0972222 0.0972222 0.0000000), wk = 0.0051020 k( 83) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0051020 k( 84) = ( 0.0694444 0.0694444 -0.0000000), wk = 0.0051020 k( 85) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0051020 k( 86) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0051020 k( 87) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0051020 k( 88) = ( 0.0138889 0.0138889 0.0000000), wk = 0.0051020 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051020 k( 90) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051020 k( 91) = ( 0.0116279 0.0116279 0.0116279), wk = 0.0051020 k( 92) = ( 0.0232558 0.0232558 0.0232558), wk = 0.0051020 k( 93) = ( 0.0348837 0.0348837 0.0348837), wk = 0.0051020 k( 94) = ( 0.0465116 0.0465116 0.0465116), wk = 0.0051020 k( 95) = ( 0.0581395 0.0581395 0.0581395), wk = 0.0051020 k( 96) = ( 0.0697674 0.0697674 0.0697674), wk = 0.0051020 k( 97) = ( 0.0813954 0.0813954 0.0813954), wk = 0.0051020 k( 98) = ( 0.0930233 0.0930233 0.0930233), wk = 0.0051020 k( 99) = ( 0.1046512 0.1046512 0.1046512), wk = 0.0051020 k( 100) = ( 0.1162791 0.1162791 0.1162791), wk = 0.0051020 k( 101) = ( 0.1279070 0.1279070 0.1279070), wk = 0.0051020 k( 102) = ( 0.1395349 0.1395349 0.1395349), wk = 0.0051020 k( 103) = ( 0.1511628 0.1511628 0.1511628), wk = 0.0051020 k( 104) = ( 0.1627907 0.1627907 0.1627907), wk = 0.0051020 k( 105) = ( 0.1744186 0.1744186 0.1744186), wk = 0.0051020 k( 106) = ( 0.1860465 0.1860465 0.1860465), wk = 0.0051020 k( 107) = ( 0.1976744 0.1976744 0.1976744), wk = 0.0051020 k( 108) = ( 0.2093023 0.2093023 0.2093023), wk = 0.0051020 k( 109) = ( 0.2209302 0.2209302 0.2209302), wk = 0.0051020 k( 110) = ( 0.2325581 0.2325581 0.2325581), wk = 0.0051020 k( 111) = ( 0.2441860 0.2441860 0.2441860), wk = 0.0051020 k( 112) = ( 0.2558140 0.2558140 0.2558140), wk = 0.0051020 k( 113) = ( 0.2674419 0.2674419 0.2674419), wk = 0.0051020 k( 114) = ( 0.2790698 0.2790698 0.2790698), wk = 0.0051020 k( 115) = ( 0.2906977 0.2906977 0.2906977), wk = 0.0051020 k( 116) = ( 0.3023256 0.3023256 0.3023256), wk = 0.0051020 k( 117) = ( 0.3139535 0.3139535 0.3139535), wk = 0.0051020 k( 118) = ( 0.3255814 0.3255814 0.3255814), wk = 0.0051020 k( 119) = ( 0.3372093 0.3372093 0.3372093), wk = 0.0051020 k( 120) = ( 0.3488372 0.3488372 0.3488372), wk = 0.0051020 k( 121) = ( 0.3604651 0.3604651 0.3604651), wk = 0.0051020 k( 122) = ( 0.3720930 0.3720930 0.3720930), wk = 0.0051020 k( 123) = ( 0.3837209 0.3837209 0.3837209), wk = 0.0051020 k( 124) = ( 0.3953488 0.3953488 0.3953488), wk = 0.0051020 k( 125) = ( 0.4069767 0.4069767 0.4069767), wk = 0.0051020 k( 126) = ( 0.4186047 0.4186047 0.4186047), wk = 0.0051020 k( 127) = ( 0.4302326 0.4302326 0.4302326), wk = 0.0051020 k( 128) = ( 0.4418605 0.4418605 0.4418605), wk = 0.0051020 k( 129) = ( 0.4534884 0.4534884 0.4534884), wk = 0.0051020 k( 130) = ( 0.4651163 0.4651163 0.4651163), wk = 0.0051020 k( 131) = ( 0.4767442 0.4767442 0.4767442), wk = 0.0051020 k( 132) = ( 0.4883721 0.4883721 0.4883721), wk = 0.0051020 k( 133) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051020 k( 134) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051020 k( 135) = ( 0.4861111 0.5000000 0.4861111), wk = 0.0051020 k( 136) = ( 0.4722222 0.5000000 0.4722222), wk = 0.0051020 k( 137) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0051020 k( 138) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0051020 k( 139) = ( 0.4305556 0.5000000 0.4305556), wk = 0.0051020 k( 140) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0051020 k( 141) = ( 0.4027778 0.5000000 0.4027778), wk = 0.0051020 k( 142) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0051020 k( 143) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0051020 k( 144) = ( 0.3611111 0.5000000 0.3611111), wk = 0.0051020 k( 145) = ( 0.3472222 0.5000000 0.3472222), wk = 0.0051020 k( 146) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0051020 k( 147) = ( 0.3194444 0.5000000 0.3194444), wk = 0.0051020 k( 148) = ( 0.3055556 0.5000000 0.3055556), wk = 0.0051020 k( 149) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0051020 k( 150) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0051020 k( 151) = ( 0.2638889 0.5000000 0.2638889), wk = 0.0051020 k( 152) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0051020 k( 153) = ( 0.2361111 0.5000000 0.2361111), wk = 0.0051020 k( 154) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0051020 k( 155) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0051020 k( 156) = ( 0.1944444 0.5000000 0.1944444), wk = 0.0051020 k( 157) = ( 0.1805556 0.5000000 0.1805556), wk = 0.0051020 k( 158) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0051020 k( 159) = ( 0.1527778 0.5000000 0.1527778), wk = 0.0051020 k( 160) = ( 0.1388889 0.5000000 0.1388889), wk = 0.0051020 k( 161) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0051020 k( 162) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0051020 k( 163) = ( 0.0972222 0.5000000 0.0972222), wk = 0.0051020 k( 164) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0051020 k( 165) = ( 0.0694444 0.5000000 0.0694444), wk = 0.0051020 k( 166) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0051020 k( 167) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0051020 k( 168) = ( 0.0277778 0.5000000 0.0277778), wk = 0.0051020 k( 169) = ( 0.0138889 0.5000000 0.0138889), wk = 0.0051020 k( 170) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0051020 k( 171) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0051020 k( 172) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0051020 k( 173) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0051020 k( 174) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0051020 k( 175) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0051020 k( 176) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0051020 k( 177) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0051020 k( 178) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0051020 k( 179) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0051020 k( 180) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0051020 k( 181) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0051020 k( 182) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0051020 k( 183) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0051020 k( 184) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0051020 k( 185) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0051020 k( 186) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0051020 k( 187) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0051020 k( 188) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0051020 k( 189) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0051020 k( 190) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0051020 k( 191) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0051020 k( 192) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0051020 k( 193) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0051020 k( 194) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0051020 k( 195) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0051020 k( 196) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051020 Dense grid: 260355 G-vectors FFT dimensions: ( 80, 80, 80) Smooth grid: 60941 G-vectors FFT dimensions: ( 50, 50, 50) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.48 Mb ( 312, 100) NL pseudopotentials 0.71 Mb ( 156, 300) Each V/rho on FFT grid 0.20 Mb ( 12800) Each G-vector array 0.04 Mb ( 5425) G-vector shells 0.01 Mb ( 1049) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.90 Mb ( 312, 400) Each subspace H/S matrix 2.44 Mb ( 400, 400) Each matrix 0.92 Mb ( 300, 2, 100) The potential is recalculated from file : ./SbPtSe.save/charge-density.dat Starting wfc are 136 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 52.0 secs Computing kpt #: 2 total cpu time spent up to now is 66.0 secs Computing kpt #: 3 total cpu time spent up to now is 78.2 secs Computing kpt #: 4 total cpu time spent up to now is 92.2 secs Computing kpt #: 5 total cpu time spent up to now is 107.1 secs Computing kpt #: 6 total cpu time spent up to now is 120.8 secs Computing kpt #: 7 total cpu time spent up to now is 133.6 secs Computing kpt #: 8 total cpu time spent up to now is 148.6 secs Computing kpt #: 9 total cpu time spent up to now is 163.0 secs Computing kpt #: 10 total cpu time spent up to now is 177.3 secs Computing kpt #: 11 total cpu time spent up to now is 190.0 secs Computing kpt #: 12 total cpu time spent up to now is 203.3 secs Computing kpt #: 13 total cpu time spent up to now is 215.5 secs Computing kpt #: 14 total cpu time spent up to now is 229.7 secs Computing kpt #: 15 total cpu time spent up to now is 242.2 secs Computing kpt #: 16 total cpu time spent up to now is 255.0 secs Computing kpt #: 17 total cpu time spent up to now is 268.6 secs Computing kpt #: 18 total cpu time spent up to now is 281.4 secs Computing kpt #: 19 total cpu time spent up to now is 294.7 secs Computing kpt #: 20 total cpu time spent up to now is 307.7 secs Computing kpt #: 21 total cpu time spent up to now is 320.6 secs Computing kpt #: 22 total cpu time spent up to now is 332.8 secs Computing kpt #: 23 total cpu time spent up to now is 345.1 secs Computing kpt #: 24 total cpu time spent up to now is 356.9 secs Computing kpt #: 25 total cpu time spent up to now is 368.7 secs Computing kpt #: 26 total cpu time spent up to now is 380.2 secs Computing kpt #: 27 total cpu time spent up to now is 391.4 secs Computing kpt #: 28 total cpu time spent up to now is 403.0 secs Computing kpt #: 29 total cpu time spent up to now is 414.5 secs Computing kpt #: 30 total cpu time spent up to now is 428.4 secs Computing kpt #: 31 total cpu time spent up to now is 444.3 secs Computing kpt #: 32 total cpu time spent up to now is 455.8 secs Computing kpt #: 33 total cpu time spent up to now is 469.4 secs Computing kpt #: 34 total cpu time spent up to now is 480.8 secs Computing kpt #: 35 total cpu time spent up to now is 492.5 secs Computing kpt #: 36 total cpu time spent up to now is 504.5 secs Computing kpt #: 37 total cpu time spent up to now is 515.9 secs Computing kpt #: 38 total cpu time spent up to now is 527.3 secs Computing kpt #: 39 total cpu time spent up to now is 538.8 secs Computing kpt #: 40 total cpu time spent up to now is 550.8 secs Computing kpt #: 41 total cpu time spent up to now is 563.0 secs Computing kpt #: 42 total cpu time spent up to now is 575.2 secs Computing kpt #: 43 total cpu time spent up to now is 587.3 secs Computing kpt #: 44 total cpu time spent up to now is 599.4 secs Computing kpt #: 45 total cpu time spent up to now is 611.8 secs Computing kpt #: 46 total cpu time spent up to now is 624.0 secs Computing kpt #: 47 total cpu time spent up to now is 636.4 secs Computing kpt #: 48 total cpu time spent up to now is 649.0 secs Computing kpt #: 49 total cpu time spent up to now is 661.6 secs Computing kpt #: 50 total cpu time spent up to now is 674.6 secs Computing kpt #: 51 total cpu time spent up to now is 687.5 secs Computing kpt #: 52 total cpu time spent up to now is 700.1 secs Computing kpt #: 53 total cpu time spent up to now is 712.9 secs Computing kpt #: 54 total cpu time spent up to now is 725.7 secs Computing kpt #: 55 total cpu time spent up to now is 738.8 secs Computing kpt #: 56 total cpu time spent up to now is 751.7 secs Computing kpt #: 57 total cpu time spent up to now is 766.7 secs Computing kpt #: 58 total cpu time spent up to now is 782.0 secs Computing kpt #: 59 total cpu time spent up to now is 794.8 secs Computing kpt #: 60 total cpu time spent up to now is 808.0 secs Computing kpt #: 61 total cpu time spent up to now is 821.5 secs Computing kpt #: 62 total cpu time spent up to now is 834.7 secs Computing kpt #: 63 total cpu time spent up to now is 847.9 secs Computing kpt #: 64 total cpu time spent up to now is 860.5 secs Computing kpt #: 65 total cpu time spent up to now is 873.4 secs Computing kpt #: 66 total cpu time spent up to now is 886.0 secs Computing kpt #: 67 total cpu time spent up to now is 898.0 secs Computing kpt #: 68 total cpu time spent up to now is 910.3 secs Computing kpt #: 69 total cpu time spent up to now is 922.3 secs Computing kpt #: 70 total cpu time spent up to now is 934.5 secs Computing kpt #: 71 total cpu time spent up to now is 947.0 secs Computing kpt #: 72 total cpu time spent up to now is 959.2 secs Computing kpt #: 73 total cpu time spent up to now is 971.5 secs Computing kpt #: 74 total cpu time spent up to now is 983.5 secs Computing kpt #: 75 total cpu time spent up to now is 995.7 secs Computing kpt #: 76 total cpu time spent up to now is 1011.3 secs Computing kpt #: 77 total cpu time spent up to now is 1023.3 secs Computing kpt #: 78 total cpu time spent up to now is 1037.5 secs Computing kpt #: 79 total cpu time spent up to now is 1049.2 secs Computing kpt #: 80 total cpu time spent up to now is 1062.3 secs Computing kpt #: 81 total cpu time spent up to now is 1074.2 secs Computing kpt #: 82 total cpu time spent up to now is 1086.1 secs Computing kpt #: 83 total cpu time spent up to now is 1098.8 secs Computing kpt #: 84 total cpu time spent up to now is 1111.4 secs Computing kpt #: 85 total cpu time spent up to now is 1123.7 secs Computing kpt #: 86 total cpu time spent up to now is 1135.3 secs Computing kpt #: 87 total cpu time spent up to now is 1146.8 secs Computing kpt #: 88 total cpu time spent up to now is 1158.1 secs Computing kpt #: 89 total cpu time spent up to now is 1169.0 secs Computing kpt #: 90 total cpu time spent up to now is 1179.7 secs Computing kpt #: 91 total cpu time spent up to now is 1191.5 secs Computing kpt #: 92 total cpu time spent up to now is 1204.0 secs Computing kpt #: 93 total cpu time spent up to now is 1309.0 secs Computing kpt #: 94 total cpu time spent up to now is 1328.9 secs Computing kpt #: 95 total cpu time spent up to now is 1343.6 secs Computing kpt #: 96 total cpu time spent up to now is 1355.6 secs Computing kpt #: 97 total cpu time spent up to now is 1369.7 secs Computing kpt #: 98 total cpu time spent up to now is 1381.2 secs Computing kpt #: 99 total cpu time spent up to now is 1392.6 secs Computing kpt #: 100 total cpu time spent up to now is 1404.8 secs Computing kpt #: 101 total cpu time spent up to now is 1416.0 secs Computing kpt #: 102 total cpu time spent up to now is 1427.1 secs Computing kpt #: 103 total cpu time spent up to now is 1438.3 secs Computing kpt #: 104 total cpu time spent up to now is 1449.5 secs Computing kpt #: 105 total cpu time spent up to now is 1460.6 secs Computing kpt #: 106 total cpu time spent up to now is 1471.7 secs Computing kpt #: 107 total cpu time spent up to now is 1482.8 secs Computing kpt #: 108 total cpu time spent up to now is 1493.8 secs Computing kpt #: 109 total cpu time spent up to now is 1505.0 secs Computing kpt #: 110 total cpu time spent up to now is 1516.1 secs Computing kpt #: 111 total cpu time spent up to now is 1527.1 secs Computing kpt #: 112 total cpu time spent up to now is 1538.1 secs Computing kpt #: 113 total cpu time spent up to now is 1549.1 secs Computing kpt #: 114 total cpu time spent up to now is 1560.2 secs Computing kpt #: 115 total cpu time spent up to now is 1571.6 secs Computing kpt #: 116 total cpu time spent up to now is 1582.9 secs Computing kpt #: 117 total cpu time spent up to now is 1594.6 secs Computing kpt #: 118 total cpu time spent up to now is 1606.9 secs Computing kpt #: 119 total cpu time spent up to now is 1619.3 secs Computing kpt #: 120 total cpu time spent up to now is 1632.0 secs Computing kpt #: 121 total cpu time spent up to now is 1644.6 secs Computing kpt #: 122 total cpu time spent up to now is 1658.2 secs Computing kpt #: 123 total cpu time spent up to now is 1673.2 secs Computing kpt #: 124 total cpu time spent up to now is 1685.9 secs Computing kpt #: 125 total cpu time spent up to now is 1698.8 secs Computing kpt #: 126 total cpu time spent up to now is 1712.0 secs Computing kpt #: 127 total cpu time spent up to now is 1725.2 secs Computing kpt #: 128 total cpu time spent up to now is 1738.8 secs Computing kpt #: 129 total cpu time spent up to now is 1751.8 secs Computing kpt #: 130 total cpu time spent up to now is 1765.4 secs Computing kpt #: 131 total cpu time spent up to now is 1778.6 secs Computing kpt #: 132 total cpu time spent up to now is 1791.8 secs Computing kpt #: 133 total cpu time spent up to now is 1804.4 secs Computing kpt #: 134 total cpu time spent up to now is 1817.1 secs Computing kpt #: 135 total cpu time spent up to now is 1830.2 secs Computing kpt #: 136 total cpu time spent up to now is 1844.2 secs Computing kpt #: 137 total cpu time spent up to now is 1857.1 secs Computing kpt #: 138 total cpu time spent up to now is 1870.5 secs Computing kpt #: 139 total cpu time spent up to now is 1883.8 secs Computing kpt #: 140 total cpu time spent up to now is 1896.7 secs Computing kpt #: 141 total cpu time spent up to now is 1909.4 secs Computing kpt #: 142 total cpu time spent up to now is 1922.4 secs Computing kpt #: 143 total cpu time spent up to now is 1935.1 secs Computing kpt #: 144 total cpu time spent up to now is 1947.6 secs Computing kpt #: 145 total cpu time spent up to now is 1960.9 secs Computing kpt #: 146 total cpu time spent up to now is 1973.3 secs Computing kpt #: 147 total cpu time spent up to now is 1985.6 secs Computing kpt #: 148 total cpu time spent up to now is 1998.1 secs Computing kpt #: 149 total cpu time spent up to now is 2010.4 secs Computing kpt #: 150 total cpu time spent up to now is 2022.6 secs Computing kpt #: 151 total cpu time spent up to now is 2034.8 secs Computing kpt #: 152 total cpu time spent up to now is 2047.3 secs Computing kpt #: 153 total cpu time spent up to now is 2059.1 secs Computing kpt #: 154 total cpu time spent up to now is 2073.2 secs Computing kpt #: 155 total cpu time spent up to now is 2084.8 secs Computing kpt #: 156 total cpu time spent up to now is 2096.4 secs Computing kpt #: 157 total cpu time spent up to now is 2108.4 secs Computing kpt #: 158 total cpu time spent up to now is 2120.2 secs Computing kpt #: 159 total cpu time spent up to now is 2132.6 secs Computing kpt #: 160 total cpu time spent up to now is 2144.4 secs Computing kpt #: 161 total cpu time spent up to now is 2156.0 secs Computing kpt #: 162 total cpu time spent up to now is 2167.7 secs Computing kpt #: 163 total cpu time spent up to now is 2179.3 secs Computing kpt #: 164 total cpu time spent up to now is 2190.9 secs Computing kpt #: 165 total cpu time spent up to now is 2202.5 secs Computing kpt #: 166 total cpu time spent up to now is 2214.1 secs Computing kpt #: 167 total cpu time spent up to now is 2225.6 secs Computing kpt #: 168 total cpu time spent up to now is 2237.1 secs Computing kpt #: 169 total cpu time spent up to now is 2248.6 secs Computing kpt #: 170 total cpu time spent up to now is 2260.9 secs Computing kpt #: 171 total cpu time spent up to now is 2274.5 secs Computing kpt #: 172 total cpu time spent up to now is 2287.6 secs Computing kpt #: 173 total cpu time spent up to now is 2300.4 secs Computing kpt #: 174 total cpu time spent up to now is 2313.3 secs Computing kpt #: 175 total cpu time spent up to now is 2326.4 secs Computing kpt #: 176 total cpu time spent up to now is 2339.5 secs Computing kpt #: 177 total cpu time spent up to now is 2352.6 secs Computing kpt #: 178 total cpu time spent up to now is 2366.0 secs Computing kpt #: 179 total cpu time spent up to now is 2379.2 secs Computing kpt #: 180 total cpu time spent up to now is 2392.6 secs Computing kpt #: 181 total cpu time spent up to now is 2406.0 secs Computing kpt #: 182 total cpu time spent up to now is 2419.0 secs Computing kpt #: 183 total cpu time spent up to now is 2432.0 secs Computing kpt #: 184 total cpu time spent up to now is 2445.3 secs Computing kpt #: 185 total cpu time spent up to now is 2458.8 secs Computing kpt #: 186 total cpu time spent up to now is 2471.9 secs Computing kpt #: 187 total cpu time spent up to now is 2485.0 secs Computing kpt #: 188 total cpu time spent up to now is 2498.3 secs Computing kpt #: 189 total cpu time spent up to now is 2511.3 secs Computing kpt #: 190 total cpu time spent up to now is 2524.2 secs Computing kpt #: 191 total cpu time spent up to now is 2537.5 secs Computing kpt #: 192 total cpu time spent up to now is 2551.2 secs Computing kpt #: 193 total cpu time spent up to now is 2565.2 secs Computing kpt #: 194 total cpu time spent up to now is 2578.1 secs Computing kpt #: 195 total cpu time spent up to now is 2591.0 secs Computing kpt #: 196 total cpu time spent up to now is 2603.7 secs ethr = 1.19E-11, avg # of iterations = 43.1 total cpu time spent up to now is 2603.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7521 PWs) bands (ev): -4.6590 -4.6590 -3.6185 -3.6185 -3.6185 -3.6185 -3.6184 -3.6184 0.4718 0.4718 0.5385 0.5385 0.5385 0.5385 0.9608 0.9608 4.1108 4.1108 4.1108 4.1108 4.2250 4.2250 4.8218 4.8218 4.8218 4.8218 4.8391 4.8391 5.1705 5.1705 5.1705 5.1705 5.2544 5.2544 5.3752 5.3752 5.3752 5.3752 5.7125 5.7125 5.7365 5.7365 5.7365 5.7365 6.0797 6.0797 6.2621 6.2621 6.2621 6.2621 6.6140 6.6140 6.6140 6.6140 6.6203 6.6203 6.7404 6.7404 6.9127 6.9127 6.9127 6.9127 7.3579 7.3579 7.3579 7.3579 7.6640 7.6640 7.7727 7.7727 7.8172 7.8172 7.8172 7.8172 8.0485 8.0485 8.3467 8.3467 8.3467 8.3467 10.1975 10.1975 10.1975 10.1975 10.3067 10.3067 11.6843 11.6843 12.7015 12.7015 12.7015 12.7015 12.9326 12.9326 13.7650 13.7650 13.7650 13.7650 14.0893 14.0893 k = 0.0000 0.0200-0.0000 ( 7533 PWs) bands (ev): -4.6581 -4.6580 -3.6282 -3.6279 -3.6183 -3.6180 -3.6096 -3.6095 0.4483 0.4898 0.5071 0.5308 0.5504 0.5689 0.9576 0.9601 4.1059 4.1101 4.1131 4.1191 4.2224 4.2300 4.8160 4.8207 4.8218 4.8233 4.8348 4.8394 5.1463 5.1487 5.1775 5.1858 5.2383 5.2673 5.3519 5.3724 5.3782 5.3983 5.7053 5.7070 5.7171 5.7343 5.7623 5.7717 6.0783 6.0832 6.2499 6.2641 6.2656 6.2664 6.6004 6.6115 6.6147 6.6209 6.6229 6.6311 6.7357 6.7477 6.9078 6.9091 6.9191 6.9192 7.3507 7.3551 7.3615 7.3631 7.6568 7.6715 7.7589 7.7894 7.8078 7.8155 7.8212 7.8269 8.0380 8.0626 8.3453 8.3465 8.3498 8.3559 10.1819 10.1917 10.2031 10.2145 10.2960 10.3192 11.6853 11.6880 12.6919 12.6989 12.7026 12.7078 12.9251 12.9373 13.7450 13.7518 13.7617 13.7677 14.0753 14.0935 k = 0.0000 0.0400-0.0000 ( 7573 PWs) bands (ev): -4.6553 -4.6552 -3.6386 -3.6383 -3.6175 -3.6170 -3.6013 -3.6011 0.4213 0.4750 0.5018 0.5258 0.5673 0.5981 0.9505 0.9556 4.1041 4.1108 4.1169 4.1306 4.2220 4.2372 4.8040 4.8129 4.8201 4.8237 4.8308 4.8363 5.1139 5.1143 5.1707 5.1915 5.2237 5.2746 5.3332 5.3693 5.3817 5.4173 5.6910 5.6949 5.7133 5.7468 5.8052 5.8211 6.0775 6.0897 6.2301 6.2583 6.2747 6.2781 6.5891 6.6113 6.6126 6.6203 6.6321 6.6489 6.7340 6.7572 6.9022 6.9058 6.9303 6.9312 7.3416 7.3529 7.3666 7.3667 7.6505 7.6786 7.7478 7.7982 7.8089 7.8156 7.8278 7.8369 8.0311 8.0796 8.3489 8.3517 8.3562 8.3728 10.1675 10.1856 10.2088 10.2329 10.2872 10.3335 11.6910 11.6964 12.6787 12.6937 12.7029 12.7116 12.9150 12.9389 13.6940 13.7072 13.7552 13.7685 14.0498 14.0877 k = 0.0000 0.0600-0.0000 ( 7573 PWs) bands (ev): -4.6506 -4.6505 -3.6500 -3.6494 -3.6162 -3.6154 -3.5937 -3.5933 0.3922 0.4424 0.5092 0.5220 0.5872 0.6260 0.9397 0.9474 4.1051 4.1127 4.1220 4.1447 4.2238 4.2463 4.7839 4.7916 4.8203 4.8209 4.8315 4.8318 5.0720 5.0783 5.1532 5.1864 5.2146 5.2761 5.3210 5.3659 5.3861 5.4307 5.6705 5.6781 5.7298 5.7629 5.8608 5.8785 6.0760 6.0988 6.2067 6.2461 6.2880 6.2989 6.5795 6.6070 6.6158 6.6191 6.6426 6.6653 6.7359 6.7687 6.8954 6.9017 6.9474 6.9507 7.3309 7.3508 7.3692 7.3737 7.6452 7.6848 7.7389 7.7888 7.8173 7.8285 7.8384 7.8476 8.0281 8.0988 8.3536 8.3635 8.3683 8.3973 10.1543 10.1793 10.2149 10.2523 10.2811 10.3496 11.7011 11.7093 12.6616 12.6846 12.7028 12.7138 12.9024 12.9374 13.6134 13.6309 13.7460 13.7677 14.0123 14.0675 k = 0.0000 0.0800-0.0000 ( 7585 PWs) bands (ev): -4.6441 -4.6440 -3.6622 -3.6616 -3.6143 -3.6133 -3.5865 -3.5859 0.3622 0.4097 0.5140 0.5186 0.6078 0.6524 0.9255 0.9361 4.1082 4.1155 4.1278 4.1604 4.2277 4.2567 4.7539 4.7591 4.8157 4.8217 4.8263 4.8357 5.0296 5.0436 5.1292 5.1738 5.2090 5.2728 5.3136 5.3622 5.3911 5.4384 5.6448 5.6644 5.7536 5.7853 5.9194 5.9372 6.0733 6.1093 6.1857 6.2324 6.3044 6.3282 6.5708 6.6025 6.6112 6.6267 6.6517 6.6795 6.7413 6.7820 6.8876 6.8969 6.9709 6.9784 7.3187 7.3492 7.3714 7.3832 7.6408 7.6901 7.7319 7.7794 7.8201 7.8433 7.8567 7.8593 8.0289 8.1187 8.3605 8.3761 8.3905 8.4289 10.1423 10.1727 10.2218 10.2671 10.2838 10.3678 11.7153 11.7266 12.6407 12.6708 12.7024 12.7148 12.8874 12.9325 13.5070 13.5274 13.7330 13.7654 13.9668 14.0260 k = 0.0000 0.1000-0.0000 ( 7585 PWs) bands (ev): -4.6357 -4.6356 -3.6755 -3.6747 -3.6119 -3.6106 -3.5798 -3.5790 0.3317 0.3771 0.5151 0.5174 0.6279 0.6772 0.9085 0.9219 4.1129 4.1188 4.1339 4.1760 4.2337 4.2676 4.7137 4.7161 4.8092 4.8213 4.8253 4.8418 4.9920 5.0145 5.1023 5.1596 5.2023 5.2656 5.3092 5.3586 5.3959 5.4406 5.6202 5.6508 5.7813 5.8128 5.9676 5.9883 6.0692 6.1220 6.1761 6.2241 6.3228 6.3656 6.5625 6.5978 6.6040 6.6378 6.6563 6.6937 6.7482 6.7973 6.8801 6.8917 7.0005 7.0133 7.3054 7.3483 7.3743 7.3952 7.6370 7.6948 7.7264 7.7702 7.8239 7.8571 7.8724 7.8776 8.0335 8.1379 8.3690 8.3907 8.4212 8.4668 10.1314 10.1661 10.2301 10.2688 10.3046 10.3883 11.7332 11.7479 12.6161 12.6519 12.7011 12.7145 12.8696 12.9239 13.3817 13.4046 13.7144 13.7615 13.9192 13.9648 k = 0.0000 0.1200-0.0000 ( 7589 PWs) bands (ev): -4.6256 -4.6254 -3.6898 -3.6890 -3.6089 -3.6074 -3.5734 -3.5725 0.3013 0.3450 0.5111 0.5196 0.6466 0.7003 0.8891 0.9057 4.1183 4.1220 4.1397 4.1897 4.2415 4.2775 4.6643 4.6646 4.8022 4.8175 4.8313 4.8505 4.9617 4.9926 5.0753 5.1461 5.1930 5.2550 5.3065 5.3554 5.3995 5.4373 5.5991 5.6401 5.8101 5.8420 5.9886 6.0215 6.0638 6.1402 6.1883 6.2302 6.3431 6.4103 6.5541 6.5931 6.5954 6.6513 6.6563 6.7096 6.7543 6.8150 6.8746 6.8870 7.0352 7.0531 7.2911 7.3488 7.3786 7.4097 7.6335 7.6991 7.7221 7.7614 7.8285 7.8726 7.8870 7.8977 8.0416 8.1554 8.3789 8.4074 8.4591 8.5099 10.1216 10.1595 10.2405 10.2698 10.3317 10.4115 11.7545 11.7727 12.5878 12.6275 12.6978 12.7125 12.8472 12.9105 13.2463 13.2726 13.6875 13.7559 13.8752 13.8938 k = 0.0000 0.1400-0.0000 ( 7589 PWs) bands (ev): -4.6137 -4.6135 -3.7053 -3.7044 -3.6055 -3.6038 -3.5674 -3.5662 0.2713 0.3136 0.5059 0.5207 0.6634 0.7217 0.8684 0.8880 4.1233 4.1246 4.1454 4.2004 4.2504 4.2849 4.6074 4.6085 4.7947 4.8134 4.8411 4.8625 4.9397 4.9771 5.0509 5.1340 5.1812 5.2412 5.3048 5.3528 5.4011 5.4294 5.5838 5.6340 5.8374 5.8677 5.9853 6.0318 6.0582 6.1548 6.2273 6.2540 6.3660 6.4594 6.5454 6.5864 6.5890 6.6538 6.6665 6.7268 6.7582 6.8348 6.8734 6.8845 7.0739 7.0947 7.2759 7.3515 7.3853 7.4265 7.6304 7.7032 7.7188 7.7532 7.8341 7.8899 7.9032 7.9167 8.0522 8.1704 8.3898 8.4257 8.5026 8.5566 10.1130 10.1532 10.2535 10.2738 10.3624 10.4376 11.7786 11.8007 12.5555 12.5972 12.6899 12.7066 12.8169 12.8882 13.1139 13.1436 13.6508 13.7482 13.8202 13.8386 k = 0.0000 0.1600-0.0000 ( 7577 PWs) bands (ev): -4.6000 -4.5998 -3.7220 -3.7210 -3.6017 -3.5997 -3.5617 -3.5603 0.2422 0.2834 0.4992 0.5203 0.6779 0.7413 0.8474 0.8699 4.1255 4.1258 4.1520 4.2083 4.2582 4.2886 4.5478 4.5496 4.7855 4.8066 4.8536 4.8783 4.9287 4.9665 5.0322 5.1227 5.1688 5.2245 5.3040 5.3514 5.4006 5.4186 5.5753 5.6329 5.8603 5.8805 5.9798 6.0228 6.0572 6.1643 6.2747 6.2883 6.3936 6.5048 6.5365 6.5777 6.5879 6.6532 6.6830 6.7440 6.7608 6.8519 6.8786 6.8903 7.1154 7.1343 7.2601 7.3574 7.3955 7.4451 7.6277 7.7072 7.7164 7.7459 7.8408 7.9082 7.9213 7.9362 8.0644 8.1828 8.4014 8.4449 8.5497 8.6053 10.1057 10.1475 10.2697 10.2817 10.3969 10.4672 11.8052 11.8312 12.5183 12.5596 12.6690 12.6892 12.7758 12.8467 13.0088 13.0345 13.6052 13.7323 13.7534 13.8102 k = 0.0000 0.1800-0.0000 ( 7569 PWs) bands (ev): -4.5847 -4.5844 -3.7398 -3.7388 -3.5974 -3.5953 -3.5563 -3.5548 0.2144 0.2545 0.4904 0.5178 0.6896 0.7592 0.8276 0.8520 4.1240 4.1243 4.1603 4.2144 4.2628 4.2875 4.4887 4.4905 4.7726 4.7939 4.8646 4.8963 4.9341 4.9600 5.0235 5.1110 5.1591 5.2057 5.3038 5.3514 5.3993 5.4069 5.5734 5.6359 5.8723 5.8760 5.9879 6.0062 6.0607 6.1717 6.3127 6.3243 6.4280 6.5284 6.5285 6.5708 6.5918 6.6662 6.7001 6.7525 6.7727 6.8579 6.8912 6.9137 7.1587 7.1680 7.2439 7.3675 7.4101 7.4649 7.6255 7.7109 7.7148 7.7402 7.8490 7.9265 7.9411 7.9581 8.0769 8.1929 8.4134 8.4645 8.5978 8.6539 10.1000 10.1427 10.2899 10.2941 10.4355 10.5007 11.8335 11.8636 12.4727 12.5097 12.6145 12.6356 12.7421 12.7918 12.9526 12.9599 13.5546 13.6707 13.7326 13.7878 k = 0.0000 0.2000-0.0000 ( 7560 PWs) bands (ev): -4.5677 -4.5674 -3.7590 -3.7579 -3.5928 -3.5905 -3.5512 -3.5495 0.1881 0.2274 0.4789 0.5126 0.6980 0.7753 0.8107 0.8354 4.1186 4.1191 4.1696 4.2192 4.2625 4.2812 4.4329 4.4341 4.7536 4.7735 4.8703 4.9111 4.9565 4.9579 5.0306 5.0996 5.1553 5.1861 5.3040 5.3533 5.3954 5.3986 5.5769 5.6417 5.8500 5.8823 5.9898 6.0051 6.0684 6.1786 6.3353 6.3577 6.4635 6.5246 6.5273 6.5681 6.5893 6.6995 6.7174 6.7517 6.8006 6.8586 6.9106 6.9493 7.1934 7.2026 7.2277 7.3817 7.4306 7.4853 7.6239 7.7135 7.7141 7.7374 7.8594 7.9443 7.9626 7.9837 8.0891 8.2008 8.4255 8.4840 8.6445 8.7006 10.0960 10.1391 10.3118 10.3145 10.4786 10.5386 11.8632 11.8971 12.4062 12.4326 12.5255 12.5558 12.7281 12.7589 12.9152 12.9258 13.5033 13.6035 13.7198 13.7690 k = 0.0000 0.2200-0.0000 ( 7564 PWs) bands (ev): -4.5491 -4.5488 -3.7794 -3.7782 -3.5880 -3.5854 -3.5464 -3.5445 0.1636 0.2023 0.4645 0.5038 0.7026 0.7896 0.7983 0.8208 4.1093 4.1106 4.1788 4.2225 4.2558 4.2690 4.3838 4.3846 4.7280 4.7463 4.8716 4.9161 4.9613 4.9846 5.0571 5.0967 5.1577 5.1676 5.3046 5.3574 5.3851 5.4000 5.5844 5.6489 5.8237 5.8788 5.9765 6.0230 6.0802 6.1857 6.3443 6.3865 6.4843 6.5144 6.5275 6.5779 6.5786 6.7326 6.7348 6.7518 6.8423 6.8602 6.9359 6.9906 7.2103 7.2116 7.2466 7.3987 7.4573 7.5056 7.6228 7.7137 7.7145 7.7393 7.8722 7.9621 7.9854 8.0121 8.1007 8.2070 8.4375 8.5027 8.6875 8.7435 10.0940 10.1373 10.3351 10.3440 10.5267 10.5815 11.8937 11.9310 12.2978 12.3178 12.4489 12.4891 12.7213 12.7431 12.8859 12.9091 13.4547 13.5408 13.7061 13.7521 k = 0.0000 0.2400-0.0000 ( 7584 PWs) bands (ev): -4.5290 -4.5286 -3.8010 -3.7998 -3.5829 -3.5801 -3.5419 -3.5398 0.1413 0.1794 0.4468 0.4906 0.7039 0.7912 0.8022 0.8089 4.0969 4.0986 4.1852 4.2217 4.2400 4.2499 4.3448 4.3507 4.6965 4.7139 4.8678 4.9105 4.9698 5.0033 5.0993 5.1161 5.1520 5.1652 5.3060 5.3641 5.3759 5.4044 5.5945 5.6558 5.7988 5.8684 5.9665 6.0379 6.0950 6.1937 6.3423 6.4096 6.4903 6.4951 6.5282 6.5655 6.6037 6.7421 6.7525 6.7686 6.8652 6.8922 6.9673 7.0345 7.1967 7.2207 7.2894 7.4168 7.4888 7.5251 7.6220 7.7120 7.7164 7.7460 7.8881 7.9812 8.0092 8.0411 8.1127 8.2120 8.4492 8.5201 8.7249 8.7808 10.0944 10.1376 10.3645 10.3786 10.5801 10.6298 11.9243 11.9640 12.1607 12.1836 12.3905 12.4328 12.7171 12.7331 12.8630 12.8964 13.4110 13.4841 13.6916 13.7361 k = 0.0000 0.2600-0.0000 ( 7584 PWs) bands (ev): -4.5075 -4.5071 -3.8238 -3.8226 -3.5776 -3.5747 -3.5378 -3.5355 0.1214 0.1591 0.4260 0.4727 0.7035 0.7885 0.7998 0.8130 4.0820 4.0837 4.1822 4.2032 4.2255 4.2276 4.3217 4.3362 4.6605 4.6775 4.8570 4.8977 4.9811 5.0114 5.1403 5.1505 5.1562 5.1787 5.3091 5.3680 5.3739 5.4122 5.6066 5.6599 5.7793 5.8551 5.9591 6.0491 6.1113 6.2019 6.3319 6.4256 6.4708 6.4932 6.5256 6.5534 6.6308 6.7411 6.7704 6.7921 6.8760 6.9372 7.0078 7.0778 7.1841 7.2276 7.3302 7.4357 7.5222 7.5430 7.6213 7.7100 7.7203 7.7566 7.9074 8.0023 8.0330 8.0664 8.1283 8.2166 8.4606 8.5358 8.7547 8.8109 10.0977 10.1407 10.4003 10.4185 10.6391 10.6839 11.9542 11.9917 12.0163 12.0485 12.3361 12.3782 12.7149 12.7253 12.8427 12.8854 13.3734 13.4336 13.6769 13.7207 k = 0.0000 0.2800-0.0000 ( 7592 PWs) bands (ev): -4.4845 -4.4841 -3.8479 -3.8467 -3.5723 -3.5692 -3.5340 -3.5316 0.1041 0.1414 0.4023 0.4505 0.7032 0.7885 0.7937 0.8222 4.0652 4.0666 4.1588 4.1665 4.2152 4.2186 4.3137 4.3370 4.6217 4.6382 4.8393 4.8797 4.9937 5.0185 5.1337 5.1831 5.2020 5.2177 5.3168 5.3620 5.3872 5.4232 5.6202 5.6587 5.7690 5.8425 5.9535 6.0577 6.1279 6.2087 6.3168 6.4323 6.4437 6.4946 6.5238 6.5444 6.6503 6.7399 6.7869 6.8154 6.8941 6.9689 7.0573 7.1150 7.1782 7.2340 7.3682 7.4548 7.5551 7.5588 7.6209 7.7087 7.7267 7.7706 7.9304 8.0258 8.0557 8.0826 8.1521 8.2216 8.4715 8.5492 8.7758 8.8327 10.1043 10.1471 10.4424 10.4636 10.7039 10.7440 11.8722 11.9023 11.9829 12.0289 12.2809 12.3226 12.7144 12.7187 12.8242 12.8754 13.3417 13.3885 13.6633 13.7061 k = 0.0000 0.3000-0.0000 ( 7592 PWs) bands (ev): -4.4603 -4.4598 -3.8731 -3.8719 -3.5669 -3.5636 -3.5307 -3.5281 0.0896 0.1266 0.3762 0.4248 0.7043 0.7895 0.7904 0.8297 4.0472 4.0480 4.1237 4.1271 4.2092 4.2111 4.3169 4.3466 4.5812 4.5973 4.8165 4.8578 5.0068 5.0285 5.1308 5.1975 5.2433 5.2682 5.3358 5.3595 5.4054 5.4373 5.6353 5.6520 5.7693 5.8329 5.9502 6.0651 6.1437 6.2100 6.3024 6.4089 6.4355 6.4923 6.5259 6.5395 6.6612 6.7392 6.7993 6.8390 6.9190 6.9892 7.1075 7.1329 7.1914 7.2429 7.4025 7.4742 7.5720 7.5841 7.6223 7.7083 7.7359 7.7878 7.9568 8.0521 8.0757 8.0895 8.1833 8.2288 8.4819 8.5600 8.7871 8.8453 10.1147 10.1574 10.4905 10.5135 10.7745 10.8102 11.7329 11.7703 12.0084 12.0519 12.2234 12.2650 12.7132 12.7160 12.8078 12.8664 13.3143 13.3469 13.6526 13.6932 k = 0.0000 0.3200-0.0000 ( 7584 PWs) bands (ev): -4.4349 -4.4343 -3.8993 -3.8981 -3.5615 -3.5581 -3.5277 -3.5250 0.0780 0.1149 0.3484 0.3965 0.7069 0.7895 0.7906 0.8357 4.0286 4.0287 4.0877 4.0893 4.2033 4.2037 4.3274 4.3612 4.5401 4.5556 4.7907 4.8331 5.0196 5.0412 5.1307 5.2105 5.2659 5.3034 5.3665 5.3689 5.4316 5.4555 5.6437 5.6524 5.7775 5.8278 5.9502 6.0735 6.1581 6.2004 6.2951 6.3754 6.4289 6.4864 6.5314 6.5374 6.6656 6.7394 6.8060 6.8625 6.9478 7.0007 7.1335 7.1492 7.2223 7.2588 7.4322 7.4933 7.5829 7.6003 7.6341 7.7089 7.7480 7.8078 7.9859 8.0793 8.0916 8.0926 8.2180 8.2399 8.4917 8.5678 8.7883 8.8483 10.1294 10.1721 10.5439 10.5673 10.8506 10.8824 11.6000 11.6440 12.0293 12.0684 12.1637 12.2064 12.7091 12.7200 12.7946 12.8590 13.2886 13.3064 13.6470 13.6831 k = 0.0000 0.3400-0.0000 ( 7592 PWs) bands (ev): -4.4083 -4.4077 -3.9266 -3.9254 -3.5562 -3.5527 -3.5253 -3.5223 0.0695 0.1063 0.3195 0.3666 0.7110 0.7906 0.7913 0.8401 4.0093 4.0099 4.0539 4.0546 4.1973 4.1977 4.3422 4.3788 4.4994 4.5145 4.7633 4.8064 5.0319 5.0558 5.1321 5.2223 5.2767 5.3137 5.3822 5.4011 5.4698 5.4814 5.6393 5.6721 5.7896 5.8273 5.9554 6.0848 6.1699 6.1792 6.2968 6.3412 6.4185 6.4786 6.5364 6.5382 6.6657 6.7406 6.8065 6.8852 6.9766 7.0052 7.1319 7.1752 7.2564 7.2860 7.4566 7.5117 7.5917 7.6022 7.6574 7.7103 7.7628 7.8299 8.0154 8.0848 8.1038 8.1169 8.2533 8.2561 8.5008 8.5720 8.7795 8.8415 10.1490 10.1918 10.6008 10.6236 10.9317 10.9602 11.4759 11.5267 12.0406 12.0708 12.1052 12.1512 12.7066 12.7267 12.7860 12.8536 13.2618 13.2651 13.6481 13.6762 k = 0.0000 0.3600-0.0000 ( 7592 PWs) bands (ev): -4.3807 -4.3801 -3.9548 -3.9537 -3.5511 -3.5475 -3.5233 -3.5202 0.0641 0.1009 0.2903 0.3362 0.7164 0.7912 0.7933 0.8430 3.9906 3.9917 4.0237 4.0238 4.1927 4.1934 4.3588 4.3981 4.4603 4.4754 4.7352 4.7786 5.0437 5.0718 5.1337 5.2323 5.2839 5.3123 5.3926 5.4190 5.5163 5.5170 5.6427 5.6939 5.8025 5.8305 5.9683 6.0994 6.1521 6.1770 6.3041 6.3090 6.4065 6.4700 6.5347 6.5452 6.6632 6.7431 6.8005 6.9054 7.0026 7.0051 7.1326 7.1862 7.2897 7.3220 7.4753 7.5284 7.5992 7.6012 7.6814 7.7117 7.7804 7.8533 8.0400 8.0797 8.1173 8.1523 8.2773 8.2876 8.5091 8.5725 8.7614 8.8256 10.1738 10.2170 10.6582 10.6793 11.0167 11.0426 11.3636 11.4216 12.0162 12.0410 12.0725 12.1158 12.7054 12.7363 12.7831 12.8505 13.2231 13.2314 13.6567 13.6585 k = 0.0000 0.3800-0.0000 ( 7600 PWs) bands (ev): -4.3523 -4.3516 -3.9838 -3.9827 -3.5462 -3.5425 -3.5218 -3.5186 0.0620 0.0989 0.2612 0.3059 0.7227 0.7901 0.7972 0.8445 3.9730 3.9746 3.9969 3.9977 4.1904 4.1912 4.3731 4.4099 4.4319 4.4423 4.7068 4.7500 5.0551 5.0888 5.1346 5.2398 5.2908 5.3082 5.3938 5.4239 5.5563 5.5643 5.6548 5.7164 5.8136 5.8361 5.9909 6.0996 6.1418 6.1746 6.2834 6.3137 6.3952 6.4614 6.5313 6.5515 6.6592 6.7471 6.7880 6.9195 7.0047 7.0248 7.1355 7.1876 7.3218 7.3601 7.4885 7.5411 7.6029 7.6059 7.7019 7.7121 7.8007 7.8773 8.0510 8.0722 8.1410 8.1911 8.3022 8.3201 8.5164 8.5690 8.7349 8.8013 10.2045 10.2479 10.7105 10.7285 11.1030 11.1274 11.2699 11.3357 11.9547 11.9812 12.0659 12.0962 12.7056 12.7490 12.7868 12.8485 13.1836 13.1968 13.5960 13.6714 k = 0.0000 0.4000-0.0000 ( 7612 PWs) bands (ev): -4.3230 -4.3223 -4.0136 -4.0125 -3.5416 -3.5379 -3.5209 -3.5175 0.0631 0.1001 0.2328 0.2763 0.7295 0.7881 0.8021 0.8447 3.9572 3.9590 3.9743 3.9758 4.1909 4.1917 4.3709 4.3814 4.4293 4.4473 4.6784 4.7210 5.0659 5.1065 5.1342 5.2439 5.2987 5.3047 5.3878 5.4207 5.5941 5.6105 5.6734 5.7363 5.8213 5.8440 6.0228 6.0678 6.1577 6.1683 6.2687 6.3241 6.3867 6.4535 6.5254 6.5561 6.6548 6.7532 6.7695 6.9221 7.0105 7.0438 7.1389 7.1827 7.3528 7.3956 7.4966 7.5469 7.6114 7.6127 7.7106 7.7170 7.8238 7.9009 8.0479 8.0631 8.1764 8.2323 8.3294 8.3498 8.5227 8.5613 8.7016 8.7700 10.2413 10.2849 10.7478 10.7599 11.1800 11.1865 11.2313 11.2870 11.8877 11.9119 12.0534 12.0712 12.7070 12.7641 12.7978 12.8444 13.1529 13.1599 13.5181 13.6710 k = 0.0000 0.4200-0.0000 ( 7604 PWs) bands (ev): -4.2930 -4.2923 -4.0439 -4.0428 -3.5374 -3.5336 -3.5205 -3.5170 0.0674 0.1047 0.2056 0.2479 0.7367 0.7852 0.8075 0.8437 3.9437 3.9457 3.9558 3.9579 4.1946 4.1953 4.3466 4.3483 4.4423 4.4710 4.6501 4.6919 5.0763 5.1246 5.1325 5.2432 5.3038 5.3079 5.3776 5.4123 5.6287 5.6546 5.6950 5.7500 5.8251 5.8566 6.0289 6.0608 6.1280 6.2055 6.2614 6.3341 6.3842 6.4479 6.5165 6.5578 6.6507 6.7464 6.7615 6.9118 7.0245 7.0607 7.1406 7.1732 7.3826 7.4268 7.5000 7.5455 7.6201 7.6272 7.7063 7.7262 7.8488 7.9238 8.0363 8.0528 8.2182 8.2750 8.3574 8.3759 8.5281 8.5494 8.6636 8.7330 10.2845 10.3280 10.7567 10.7579 11.1720 11.2128 11.3061 11.3197 11.8228 11.8407 12.0291 12.0342 12.7098 12.7804 12.8159 12.8341 13.1247 13.1390 13.4366 13.5912 k = 0.0000 0.4400-0.0000 ( 7600 PWs) bands (ev): -4.2625 -4.2617 -4.0748 -4.0737 -3.5335 -3.5297 -3.5207 -3.5171 0.0749 0.1125 0.1799 0.2213 0.7441 0.7813 0.8132 0.8416 3.9329 3.9351 3.9414 3.9439 4.2016 4.2022 4.3174 4.3178 4.4638 4.4963 4.6220 4.6628 5.0861 5.1292 5.1430 5.2372 5.3064 5.3187 5.3653 5.4006 5.6596 5.6962 5.7168 5.7551 5.8261 5.8766 5.9879 6.0909 6.1013 6.2453 6.2536 6.3422 6.3900 6.4472 6.5042 6.5548 6.6481 6.7211 6.7726 6.8933 7.0436 7.0764 7.1395 7.1602 7.4103 7.4531 7.4993 7.5396 7.6286 7.6471 7.6989 7.7292 7.8751 7.9453 8.0197 8.0414 8.2631 8.3177 8.3843 8.3973 8.5335 8.5339 8.6232 8.6924 10.3341 10.3771 10.7191 10.7316 11.1937 11.2397 11.3781 11.3943 11.7684 11.7739 11.9844 11.9915 12.7148 12.7976 12.8158 12.8374 13.0976 13.1469 13.3552 13.5056 k = 0.0000 0.4600-0.0000 ( 7608 PWs) bands (ev): -4.2315 -4.2307 -4.1059 -4.1049 -3.5301 -3.5263 -3.5215 -3.5178 0.0855 0.1234 0.1562 0.1966 0.7513 0.7766 0.8189 0.8385 3.9254 3.9277 3.9308 3.9336 4.2120 4.2127 4.2895 4.2903 4.4879 4.5225 4.5942 4.6339 5.0954 5.1246 5.1615 5.2266 5.3122 5.3308 5.3527 5.3871 5.6864 5.7316 5.7376 5.7519 5.8278 5.9039 5.9462 6.0522 6.1386 6.2411 6.2818 6.3457 6.4042 6.4551 6.4883 6.5445 6.6483 6.6965 6.7867 6.8708 7.0645 7.0912 7.1350 7.1443 7.4352 7.4749 7.4947 7.5309 7.6387 7.6681 7.6886 7.7264 7.9017 7.9653 7.9997 8.0290 8.3089 8.3576 8.4059 8.4124 8.5172 8.5409 8.5836 8.6505 10.3901 10.4320 10.6579 10.6818 11.2436 11.2901 11.4204 11.4545 11.7266 11.7423 11.9229 11.9409 12.7225 12.7927 12.8157 12.8544 13.0879 13.1756 13.2769 13.4237 k = 0.0000 0.4800-0.0000 ( 7612 PWs) bands (ev): -4.2003 -4.1994 -4.1373 -4.1364 -3.5271 -3.5233 -3.5228 -3.5191 0.0991 0.1346 0.1375 0.1743 0.7584 0.7711 0.8245 0.8345 3.9213 3.9238 3.9239 3.9268 4.2261 4.2268 4.2649 4.2657 4.5134 4.5495 4.5667 4.6053 5.1039 5.1187 5.1796 5.2129 5.3201 5.3407 5.3441 5.3727 5.7092 5.7424 5.7510 5.7578 5.8389 5.9050 5.9369 6.0124 6.1719 6.2232 6.3106 6.3420 6.4244 6.4689 6.4739 6.5255 6.6524 6.6761 6.8041 6.8472 7.0858 7.1049 7.1263 7.1274 7.4564 7.4861 7.4928 7.5203 7.6504 7.6764 7.6879 7.7181 7.9279 7.9774 7.9837 8.0154 8.3530 8.3906 8.4116 8.4183 8.5092 8.5485 8.5541 8.6107 10.4519 10.4918 10.5886 10.6202 11.3056 11.3541 11.4132 11.4631 11.7295 11.7622 11.8534 11.8803 12.7339 12.7695 12.8340 12.8588 13.1038 13.2054 13.2211 13.3476 k = 0.0000 0.5000-0.0000 ( 7624 PWs) bands (ev): -4.1688 -4.1688 -4.1679 -4.1679 -3.5247 -3.5247 -3.5209 -3.5209 0.1155 0.1155 0.1545 0.1545 0.7650 0.7650 0.8298 0.8298 3.9207 3.9207 3.9235 3.9235 4.2437 4.2437 4.2445 4.2445 4.5398 4.5398 4.5772 4.5772 5.1118 5.1118 5.1969 5.1969 5.3297 5.3297 5.3582 5.3582 5.7279 5.7279 5.7609 5.7609 5.8670 5.8670 5.9736 5.9736 6.2001 6.2001 6.3305 6.3305 6.4469 6.4469 6.4999 6.4999 6.6614 6.6614 6.8245 6.8245 7.1066 7.1066 7.1171 7.1171 7.4734 7.4734 7.5077 7.5077 7.6633 7.6633 7.7050 7.7050 7.9533 7.9533 8.0003 8.0003 8.3908 8.3908 8.4116 8.4116 8.5214 8.5214 8.5772 8.5772 10.5187 10.5187 10.5554 10.5554 11.3672 11.3672 11.4185 11.4185 11.7829 11.7829 11.8162 11.8162 12.7495 12.7495 12.8500 12.8500 13.1454 13.1454 13.2794 13.2794 k = 0.0000 0.5000-0.0000 ( 7624 PWs) bands (ev): -4.1688 -4.1688 -4.1679 -4.1679 -3.5247 -3.5247 -3.5209 -3.5209 0.1155 0.1155 0.1545 0.1545 0.7650 0.7650 0.8298 0.8298 3.9207 3.9207 3.9235 3.9235 4.2437 4.2437 4.2445 4.2445 4.5398 4.5398 4.5772 4.5772 5.1118 5.1118 5.1969 5.1969 5.3297 5.3297 5.3582 5.3582 5.7279 5.7279 5.7609 5.7609 5.8670 5.8670 5.9736 5.9736 6.2001 6.2001 6.3305 6.3305 6.4469 6.4469 6.4999 6.4999 6.6614 6.6614 6.8245 6.8245 7.1066 7.1066 7.1171 7.1171 7.4734 7.4734 7.5077 7.5077 7.6633 7.6633 7.7050 7.7050 7.9533 7.9533 8.0003 8.0003 8.3908 8.3908 8.4116 8.4116 8.5214 8.5214 8.5772 8.5772 10.5187 10.5187 10.5554 10.5554 11.3672 11.3672 11.4185 11.4185 11.7829 11.7829 11.8162 11.8162 12.7495 12.7495 12.8500 12.8500 13.1454 13.1454 13.2794 13.2794 k = 0.0200 0.5000-0.0000 ( 7608 PWs) bands (ev): -4.1681 -4.1681 -4.1672 -4.1672 -3.5250 -3.5250 -3.5212 -3.5212 0.1145 0.1145 0.1534 0.1534 0.7641 0.7641 0.8286 0.8286 3.9231 3.9231 3.9267 3.9267 4.2430 4.2430 4.2441 4.2441 4.5367 4.5367 4.5746 4.5746 5.1104 5.1104 5.1988 5.1988 5.3247 5.3247 5.3621 5.3621 5.7262 5.7262 5.7597 5.7597 5.8671 5.8671 5.9760 5.9760 6.1998 6.1998 6.3188 6.3188 6.4604 6.4604 6.5029 6.5029 6.6650 6.6650 6.8256 6.8256 7.1071 7.1071 7.1184 7.1184 7.4738 7.4738 7.5091 7.5091 7.6563 7.6563 7.7127 7.7127 7.9548 7.9548 8.0022 8.0022 8.3880 8.3880 8.4146 8.4146 8.5204 8.5204 8.5773 8.5773 10.5186 10.5186 10.5550 10.5550 11.3658 11.3658 11.4188 11.4188 11.7798 11.7798 11.8130 11.8130 12.7450 12.7450 12.8477 12.8477 13.1422 13.1422 13.2803 13.2803 k = 0.0400 0.5000-0.0000 ( 7596 PWs) bands (ev): -4.1661 -4.1661 -4.1652 -4.1652 -3.5259 -3.5259 -3.5220 -3.5220 0.1115 0.1115 0.1501 0.1501 0.7613 0.7613 0.8251 0.8251 3.9304 3.9304 3.9359 3.9359 4.2410 4.2410 4.2428 4.2428 4.5279 4.5279 4.5669 4.5669 5.1064 5.1064 5.2026 5.2026 5.3153 5.3153 5.3697 5.3697 5.7215 5.7215 5.7558 5.7558 5.8684 5.8684 5.9824 5.9824 6.1984 6.1984 6.2957 6.2957 6.4866 6.4866 6.5133 6.5133 6.6760 6.6760 6.8288 6.8288 7.1088 7.1088 7.1224 7.1224 7.4747 7.4747 7.5132 7.5132 7.6428 7.6428 7.7285 7.7285 7.9591 7.9591 8.0080 8.0080 8.3821 8.3821 8.4212 8.4212 8.5174 8.5174 8.5777 8.5777 10.5182 10.5182 10.5541 10.5541 11.3619 11.3619 11.4194 11.4194 11.7707 11.7707 11.8038 11.8038 12.7322 12.7322 12.8390 12.8390 13.1355 13.1355 13.2820 13.2820 k = 0.0600 0.5000-0.0000 ( 7590 PWs) bands (ev): -4.1628 -4.1628 -4.1618 -4.1618 -3.5275 -3.5275 -3.5234 -3.5234 0.1065 0.1065 0.1447 0.1447 0.7568 0.7568 0.8195 0.8195 3.9424 3.9424 3.9503 3.9503 4.2377 4.2377 4.2405 4.2405 4.5142 4.5142 4.5547 4.5547 5.1000 5.1000 5.2030 5.2030 5.3091 5.3091 5.3782 5.3782 5.7144 5.7144 5.7495 5.7495 5.8723 5.8723 5.9910 5.9910 6.1947 6.1947 6.2752 6.2752 6.5053 6.5053 6.5366 6.5366 6.6952 6.6952 6.8340 6.8340 7.1117 7.1117 7.1288 7.1288 7.4756 7.4756 7.5198 7.5198 7.6292 7.6292 7.7468 7.7468 7.9655 7.9655 8.0174 8.0174 8.3758 8.3758 8.4288 8.4288 8.5132 8.5132 8.5789 8.5789 10.5176 10.5176 10.5524 10.5524 11.3558 11.3558 11.4197 11.4197 11.7556 11.7556 11.7891 11.7891 12.7127 12.7127 12.8210 12.8210 13.1313 13.1313 13.2834 13.2834 k = 0.0800 0.5000-0.0000 ( 7592 PWs) bands (ev): -4.1582 -4.1582 -4.1572 -4.1572 -3.5296 -3.5296 -3.5253 -3.5253 0.0995 0.0995 0.1372 0.1372 0.7509 0.7509 0.8119 0.8119 3.9585 3.9585 3.9691 3.9691 4.2331 4.2331 4.2374 4.2374 4.4969 4.4969 4.5390 4.5390 5.0907 5.0907 5.1937 5.1937 5.3120 5.3120 5.3877 5.3877 5.7059 5.7059 5.7420 5.7420 5.8795 5.8795 6.0003 6.0003 6.1869 6.1869 6.2640 6.2640 6.5168 6.5168 6.5656 6.5656 6.7219 6.7219 6.8413 6.8413 7.1158 7.1158 7.1374 7.1374 7.4763 7.4763 7.5274 7.5274 7.6184 7.6184 7.7656 7.7656 7.9729 7.9729 8.0302 8.0302 8.3706 8.3706 8.4363 8.4363 8.5087 8.5087 8.5821 8.5821 10.5164 10.5164 10.5501 10.5501 11.3475 11.3475 11.4187 11.4187 11.7352 11.7352 11.7700 11.7700 12.6879 12.6879 12.7921 12.7921 13.1338 13.1338 13.2846 13.2846 k = 0.1000 0.5000-0.0000 ( 7594 PWs) bands (ev): -4.1524 -4.1524 -4.1512 -4.1512 -3.5324 -3.5324 -3.5279 -3.5279 0.0906 0.0906 0.1276 0.1276 0.7437 0.7437 0.8027 0.8027 3.9774 3.9774 3.9912 3.9912 4.2271 4.2271 4.2335 4.2335 4.4776 4.4776 4.5209 4.5209 5.0780 5.0780 5.1738 5.1738 5.3248 5.3248 5.3992 5.3992 5.6969 5.6969 5.7347 5.7347 5.8894 5.8894 6.0091 6.0091 6.1762 6.1762 6.2635 6.2635 6.5264 6.5264 6.5929 6.5929 6.7524 6.7524 6.8513 6.8513 7.1212 7.1212 7.1478 7.1478 7.4765 7.4765 7.5330 7.5330 7.6138 7.6138 7.7843 7.7843 7.9800 7.9800 8.0456 8.0456 8.3676 8.3676 8.4421 8.4421 8.5062 8.5062 8.5889 8.5889 10.5146 10.5146 10.5470 10.5470 11.3372 11.3372 11.4157 11.4157 11.7104 11.7104 11.7479 11.7479 12.6589 12.6589 12.7543 12.7543 13.1433 13.1433 13.2865 13.2865 k = 0.1200 0.5000-0.0000 ( 7582 PWs) bands (ev): -4.1453 -4.1453 -4.1440 -4.1440 -3.5358 -3.5358 -3.5310 -3.5310 0.0800 0.0800 0.1160 0.1160 0.7356 0.7356 0.7922 0.7922 3.9976 3.9976 4.0152 4.0152 4.2199 4.2199 4.2291 4.2291 4.4580 4.4580 4.5021 4.5021 5.0613 5.0613 5.1467 5.1467 5.3438 5.3438 5.4139 5.4139 5.6883 5.6883 5.7286 5.7286 5.9012 5.9012 6.0168 6.0168 6.1661 6.1661 6.2707 6.2707 6.5355 6.5355 6.6181 6.6181 6.7811 6.7811 6.8652 6.8652 7.1278 7.1278 7.1597 7.1597 7.4763 7.4763 7.5333 7.5333 7.6182 7.6182 7.8022 7.8022 7.9856 7.9856 8.0620 8.0620 8.3681 8.3681 8.4439 8.4439 8.5088 8.5088 8.6012 8.6012 10.5119 10.5119 10.5431 10.5431 11.3246 11.3246 11.4095 11.4095 11.6826 11.6826 11.7237 11.7237 12.6266 12.6266 12.7107 12.7107 13.1577 13.1577 13.2899 13.2899 k = 0.1400 0.5000-0.0000 ( 7588 PWs) bands (ev): -4.1370 -4.1370 -4.1357 -4.1357 -3.5398 -3.5398 -3.5348 -3.5348 0.0676 0.0676 0.1026 0.1026 0.7269 0.7269 0.7808 0.7808 4.0171 4.0171 4.0392 4.0392 4.2112 4.2112 4.2244 4.2244 4.4403 4.4403 4.4843 4.4843 5.0407 5.0407 5.1157 5.1157 5.3661 5.3661 5.4324 5.4324 5.6810 5.6810 5.7239 5.7239 5.9142 5.9142 6.0229 6.0229 6.1598 6.1598 6.2828 6.2828 6.5449 6.5449 6.6420 6.6420 6.8026 6.8026 6.8842 6.8842 7.1355 7.1355 7.1723 7.1723 7.4755 7.4755 7.5285 7.5285 7.6304 7.6304 7.8184 7.8184 7.9890 7.9890 8.0775 8.0775 8.3733 8.3733 8.4415 8.4415 8.5184 8.5184 8.6212 8.6212 10.5079 10.5079 10.5384 10.5384 11.3093 11.3093 11.3993 11.3993 11.6540 11.6540 11.6986 11.6986 12.5919 12.5919 12.6647 12.6647 13.1745 13.1745 13.2951 13.2951 k = 0.1600 0.5000-0.0000 ( 7588 PWs) bands (ev): -4.1276 -4.1276 -4.1262 -4.1262 -3.5445 -3.5445 -3.5392 -3.5392 0.0538 0.0538 0.0875 0.0875 0.7179 0.7179 0.7688 0.7688 4.0334 4.0334 4.0609 4.0609 4.2010 4.2010 4.2194 4.2194 4.4266 4.4266 4.4698 4.4698 5.0171 5.0171 5.0830 5.0830 5.3901 5.3901 5.4548 5.4548 5.6757 5.6757 5.7209 5.7209 5.9275 5.9275 6.0271 6.0271 6.1586 6.1586 6.2982 6.2982 6.5554 6.5554 6.6652 6.6652 6.8159 6.8159 6.9063 6.9063 7.1437 7.1437 7.1854 7.1854 7.4736 7.4736 7.5222 7.5222 7.6464 7.6464 7.8318 7.8318 7.9900 7.9900 8.0896 8.0896 8.3829 8.3829 8.4376 8.4376 8.5358 8.5358 8.6500 8.6500 10.5023 10.5023 10.5329 10.5329 11.2909 11.2909 11.3844 11.3844 11.6266 11.6266 11.6735 11.6735 12.5556 12.5556 12.6185 12.6185 13.1915 13.1915 13.3016 13.3016 k = 0.1800 0.5000-0.0000 ( 7592 PWs) bands (ev): -4.1172 -4.1172 -4.1156 -4.1156 -3.5498 -3.5498 -3.5442 -3.5442 0.0386 0.0386 0.0710 0.0710 0.7089 0.7089 0.7565 0.7565 4.0445 4.0445 4.0774 4.0774 4.1891 4.1891 4.2138 4.2138 4.4195 4.4195 4.4608 4.4608 4.9914 4.9914 5.0501 5.0501 5.4154 5.4154 5.4807 5.4807 5.6726 5.6726 5.7196 5.7196 5.9404 5.9404 6.0298 6.0298 6.1629 6.1629 6.3159 6.3159 6.5677 6.5677 6.6881 6.6881 6.8233 6.8233 6.9276 6.9276 7.1515 7.1515 7.1984 7.1984 7.4699 7.4699 7.5172 7.5172 7.6626 7.6626 7.8413 7.8413 7.9884 7.9884 8.0969 8.0969 8.3950 8.3950 8.4364 8.4364 8.5621 8.5621 8.6879 8.6879 10.4948 10.4948 10.5267 10.5267 11.2691 11.2691 11.3650 11.3650 11.6020 11.6020 11.6494 11.6494 12.5184 12.5184 12.5735 12.5735 13.2071 13.2071 13.3088 13.3088 k = 0.2000 0.5000-0.0000 ( 7592 PWs) bands (ev): -4.1058 -4.1058 -4.1041 -4.1041 -3.5558 -3.5558 -3.5500 -3.5500 0.0223 0.0223 0.0532 0.0532 0.7000 0.7000 0.7443 0.7443 4.0489 4.0489 4.0866 4.0866 4.1753 4.1753 4.2066 4.2066 4.4207 4.4207 4.4597 4.4597 4.9650 4.9650 5.0179 5.0179 5.4419 5.4419 5.5092 5.5092 5.6720 5.6720 5.7201 5.7201 5.9525 5.9525 6.0316 6.0316 6.1724 6.1724 6.3352 6.3352 6.5821 6.5821 6.7108 6.7108 6.8271 6.8271 6.9455 6.9455 7.1578 7.1578 7.2107 7.2107 7.4641 7.4641 7.5147 7.5147 7.6768 7.6768 7.8459 7.8459 7.9846 7.9846 8.0986 8.0986 8.4056 8.4056 8.4423 8.4423 8.5992 8.5992 8.7338 8.7338 10.4852 10.4852 10.5198 10.5198 11.2440 11.2440 11.3424 11.3424 11.5805 11.5805 11.6267 11.6267 12.4808 12.4808 12.5303 12.5303 13.2200 13.2200 13.3159 13.3159 k = 0.2200 0.5000-0.0000 ( 7580 PWs) bands (ev): -4.0935 -4.0935 -4.0916 -4.0916 -3.5623 -3.5623 -3.5564 -3.5564 0.0052 0.0052 0.0344 0.0344 0.6915 0.6915 0.7324 0.7324 4.0469 4.0469 4.0875 4.0875 4.1595 4.1595 4.1967 4.1967 4.4304 4.4304 4.4675 4.4675 4.9390 4.9390 4.9872 4.9872 5.4694 5.4694 5.5391 5.5391 5.6740 5.6740 5.7226 5.7226 5.9635 5.9635 6.0335 6.0335 6.1863 6.1863 6.3555 6.3555 6.5989 6.5989 6.7333 6.7333 6.8286 6.8286 6.9594 6.9594 7.1615 7.1615 7.2213 7.2213 7.4570 7.4570 7.5142 7.5142 7.6875 7.6875 7.8450 7.8450 7.9787 7.9787 8.0950 8.0950 8.4143 8.4143 8.4570 8.4570 8.6469 8.6469 8.7862 8.7862 10.4737 10.4737 10.5124 10.5124 11.2165 11.2165 11.3186 11.3186 11.5615 11.5615 11.6059 11.6059 12.4433 12.4433 12.4884 12.4884 13.2294 13.2294 13.3219 13.3219 k = 0.2400 0.5000-0.0000 ( 7584 PWs) bands (ev): -4.0805 -4.0805 -4.0785 -4.0785 -3.5695 -3.5695 -3.5634 -3.5634 -0.0125 -0.0125 0.0151 0.0151 0.6835 0.6835 0.7210 0.7210 4.0395 4.0395 4.0810 4.0810 4.1420 4.1420 4.1834 4.1834 4.4474 4.4474 4.4832 4.4832 4.9143 4.9143 4.9587 4.9587 5.4978 5.4978 5.5690 5.5690 5.6794 5.6794 5.7275 5.7275 5.9734 5.9734 6.0366 6.0366 6.2035 6.2035 6.3766 6.3766 6.6176 6.6176 6.7552 6.7552 6.8289 6.8289 6.9697 6.9697 7.1624 7.1624 7.2287 7.2287 7.4496 7.4496 7.5143 7.5143 7.6944 7.6944 7.8390 7.8390 7.9711 7.9711 8.0863 8.0863 8.4250 8.4250 8.4779 8.4779 8.7032 8.7032 8.8429 8.8429 10.4609 10.4609 10.5046 10.5046 11.1882 11.1882 11.2953 11.2953 11.5441 11.5441 11.5864 11.5864 12.4058 12.4058 12.4474 12.4474 13.2352 13.2352 13.3264 13.3264 k = 0.2600 0.5000-0.0000 ( 7580 PWs) bands (ev): -4.0668 -4.0668 -4.0646 -4.0646 -3.5773 -3.5773 -3.5711 -3.5711 -0.0304 -0.0304 -0.0046 -0.0046 0.6761 0.6761 0.7102 0.7102 4.0282 4.0282 4.0689 4.0689 4.1235 4.1235 4.1670 4.1670 4.4692 4.4692 4.5045 4.5045 4.8915 4.8915 4.9327 4.9327 5.5263 5.5263 5.5966 5.5966 5.6888 5.6888 5.7355 5.7355 5.9827 5.9827 6.0419 6.0419 6.2234 6.2234 6.3985 6.3985 6.6378 6.6378 6.7756 6.7756 6.8289 6.8289 6.9771 6.9771 7.1603 7.1603 7.2319 7.2319 7.4425 7.4425 7.5134 7.5134 7.6979 7.6979 7.8290 7.8290 7.9616 7.9616 8.0732 8.0732 8.4402 8.4402 8.5036 8.5036 8.7652 8.7652 8.9016 8.9016 10.4478 10.4478 10.4972 10.4972 11.1613 11.1613 11.2740 11.2740 11.5273 11.5273 11.5678 11.5678 12.3678 12.3678 12.4062 12.4062 13.2375 13.2375 13.3289 13.3289 k = 0.2800 0.5000-0.0000 ( 7590 PWs) bands (ev): -4.0526 -4.0526 -4.0503 -4.0503 -3.5856 -3.5856 -3.5794 -3.5794 -0.0482 -0.0482 -0.0243 -0.0243 0.6693 0.6693 0.7001 0.7001 4.0144 4.0144 4.0530 4.0530 4.1047 4.1047 4.1482 4.1482 4.4937 4.4937 4.5287 4.5287 4.8711 4.8711 4.9095 4.9095 5.5541 5.5541 5.6195 5.6195 5.7031 5.7031 5.7472 5.7472 5.9927 5.9927 6.0501 6.0501 6.2451 6.2451 6.4209 6.4209 6.6583 6.6583 6.7919 6.7919 6.8313 6.8313 6.9822 6.9822 7.1560 7.1560 7.2299 7.2299 7.4356 7.4356 7.5102 7.5102 7.6989 7.6989 7.8165 7.8165 7.9502 7.9502 8.0568 8.0568 8.4606 8.4606 8.5335 8.5335 8.8292 8.8292 8.9592 8.9592 10.4358 10.4358 10.4915 10.4915 11.1377 11.1377 11.2553 11.2553 11.5102 11.5102 11.5491 11.5491 12.3286 12.3286 12.3640 12.3640 13.2371 13.2371 13.3295 13.3295 k = 0.3000 0.5000-0.0000 ( 7590 PWs) bands (ev): -4.0380 -4.0380 -4.0356 -4.0356 -3.5943 -3.5943 -3.5882 -3.5882 -0.0656 -0.0656 -0.0436 -0.0436 0.6633 0.6633 0.6908 0.6908 3.9993 3.9993 4.0349 4.0349 4.0861 4.0861 4.1281 4.1281 4.5187 4.5187 4.5536 4.5536 4.8532 4.8532 4.8890 4.8890 5.5799 5.5799 5.6367 5.6367 5.7213 5.7213 5.7630 5.7630 6.0052 6.0052 6.0622 6.0622 6.2681 6.2681 6.4438 6.4438 6.6780 6.6780 6.8000 6.8000 6.8402 6.8402 6.9855 6.9855 7.1500 7.1500 7.2230 7.2230 7.4280 7.4280 7.5038 7.5038 7.6984 7.6984 7.8037 7.8037 7.9367 7.9367 8.0382 8.0382 8.4863 8.4863 8.5671 8.5671 8.8917 8.8917 9.0129 9.0129 10.4270 10.4270 10.4894 10.4894 11.1188 11.1188 11.2393 11.2393 11.4923 11.4923 11.5295 11.5295 12.2875 12.2875 12.3201 12.3201 13.2353 13.2353 13.3288 13.3288 k = 0.3200 0.5000-0.0000 ( 7592 PWs) bands (ev): -4.0233 -4.0233 -4.0208 -4.0208 -3.6034 -3.6034 -3.5974 -3.5974 -0.0822 -0.0822 -0.0622 -0.0622 0.6580 0.6580 0.6824 0.6824 3.9838 3.9838 4.0159 4.0159 4.0682 4.0682 4.1074 4.1074 4.5429 4.5429 4.5774 4.5774 4.8378 4.8378 4.8714 4.8714 5.6025 5.6025 5.6494 5.6494 5.7406 5.7406 5.7817 5.7817 6.0222 6.0222 6.0792 6.0792 6.2917 6.2917 6.4671 6.4671 6.6954 6.6954 6.8006 6.8006 6.8547 6.8547 6.9869 6.9869 7.1435 7.1435 7.2120 7.2120 7.4183 7.4183 7.4938 7.4938 7.6971 7.6971 7.7932 7.7932 7.9211 7.9211 8.0183 8.0183 8.5166 8.5166 8.6039 8.6039 8.9493 8.9493 9.0595 9.0595 10.4238 10.4238 10.4934 10.4934 11.1052 11.1052 11.2260 11.2260 11.4728 11.4728 11.5084 11.5084 12.2437 12.2437 12.2739 12.2739 13.2335 13.2335 13.3278 13.3278 k = 0.3400 0.5000-0.0000 ( 7588 PWs) bands (ev): -4.0086 -4.0086 -4.0061 -4.0061 -3.6128 -3.6128 -3.6069 -3.6069 -0.0978 -0.0978 -0.0799 -0.0799 0.6534 0.6534 0.6747 0.6747 3.9687 3.9687 3.9972 3.9972 4.0513 4.0513 4.0870 4.0870 4.5653 4.5653 4.5992 4.5992 4.8249 4.8249 4.8565 4.8565 5.6213 5.6213 5.6594 5.6594 5.7595 5.7595 5.7998 5.7998 6.0455 6.0455 6.1026 6.1026 6.3155 6.3155 6.4904 6.4904 6.7092 6.7092 6.7980 6.7980 6.8700 6.8700 6.9856 6.9856 7.1378 7.1378 7.1984 7.1984 7.4054 7.4054 7.4804 7.4804 7.6950 7.6950 7.7868 7.7868 7.9035 7.9035 7.9982 7.9982 8.5510 8.5510 8.6429 8.6429 8.9987 8.9987 9.0962 9.0962 10.4290 10.4290 10.5058 10.5058 11.0967 11.0967 11.2143 11.2143 11.4509 11.4509 11.4856 11.4856 12.1972 12.1972 12.2253 12.2253 13.2335 13.2335 13.3275 13.3275 k = 0.3600 0.5000-0.0000 ( 7584 PWs) bands (ev): -3.9942 -3.9942 -3.9917 -3.9917 -3.6221 -3.6221 -3.6166 -3.6166 -0.1121 -0.1121 -0.0963 -0.0963 0.6496 0.6496 0.6679 0.6679 3.9545 3.9545 3.9793 3.9793 4.0357 4.0357 4.0674 4.0674 4.5854 4.5854 4.6182 4.6182 4.8144 4.8144 4.8440 4.8440 5.6365 5.6365 5.6677 5.6677 5.7768 5.7768 5.8142 5.8142 6.0754 6.0754 6.1332 6.1332 6.3389 6.3389 6.5132 6.5132 6.7187 6.7187 6.7943 6.7943 6.8829 6.8829 6.9806 6.9806 7.1340 7.1340 7.1850 7.1850 7.3889 7.3889 7.4637 7.4637 7.6928 7.6928 7.7856 7.7856 7.8843 7.8843 7.9785 7.9785 8.5890 8.5890 8.6834 8.6834 9.0369 9.0369 9.1210 9.1210 10.4449 10.4449 10.5288 10.5288 11.0922 11.0922 11.2032 11.2032 11.4260 11.4260 11.4615 11.4615 12.1489 12.1489 12.1749 12.1749 13.2366 13.2366 13.3289 13.3289 k = 0.3800 0.5000-0.0000 ( 7582 PWs) bands (ev): -3.9805 -3.9805 -3.9780 -3.9780 -3.6313 -3.6313 -3.6262 -3.6262 -0.1248 -0.1248 -0.1112 -0.1112 0.6464 0.6464 0.6619 0.6619 3.9417 3.9417 3.9628 3.9628 4.0217 4.0217 4.0492 4.0492 4.6030 4.6030 4.6340 4.6340 4.8063 4.8063 4.8337 4.8337 5.6487 5.6487 5.6747 5.6747 5.7915 5.7915 5.8240 5.8240 6.1108 6.1108 6.1710 6.1710 6.3614 6.3614 6.5345 6.5345 6.7245 6.7245 6.7901 6.7901 6.8902 6.8902 6.9712 6.9712 7.1322 7.1322 7.1759 7.1759 7.3693 7.3693 7.4439 7.4439 7.6917 7.6917 7.7888 7.7888 7.8643 7.8643 7.9596 7.9596 8.6298 8.6298 8.7248 8.7248 9.0619 9.0619 9.1333 9.1333 10.4730 10.4730 10.5631 10.5631 11.0897 11.0897 11.1909 11.1909 11.3978 11.3978 11.4371 11.4371 12.1001 12.1001 12.1237 12.1237 13.2436 13.2436 13.3327 13.3327 k = 0.4000 0.5000-0.0000 ( 7580 PWs) bands (ev): -3.9676 -3.9676 -3.9653 -3.9653 -3.6400 -3.6400 -3.6354 -3.6354 -0.1358 -0.1358 -0.1243 -0.1243 0.6439 0.6439 0.6567 0.6567 3.9307 3.9307 3.9480 3.9480 4.0096 4.0096 4.0327 4.0327 4.6181 4.6181 4.6463 4.6463 4.8006 4.8006 4.8252 4.8252 5.6589 5.6589 5.6805 5.6805 5.8031 5.8031 5.8296 5.8296 6.1496 6.1496 6.2142 6.2142 6.3825 6.3825 6.5527 6.5527 6.7285 6.7285 6.7859 6.7859 6.8886 6.8886 6.9575 6.9575 7.1317 7.1317 7.1751 7.1751 7.3478 7.3478 7.4212 7.4212 7.6929 7.6929 7.7945 7.7945 7.8448 7.8448 7.9417 7.9417 8.6728 8.6728 8.7662 8.7662 9.0729 9.0729 9.1337 9.1337 10.5135 10.5135 10.6082 10.6082 11.0859 11.0859 11.1753 11.1753 11.3675 11.3675 11.4132 11.4132 12.0532 12.0532 12.0738 12.0738 13.2547 13.2547 13.3388 13.3388 k = 0.4200 0.5000-0.0000 ( 7588 PWs) bands (ev): -3.9561 -3.9561 -3.9540 -3.9540 -3.6479 -3.6479 -3.6439 -3.6439 -0.1448 -0.1448 -0.1356 -0.1356 0.6421 0.6421 0.6522 0.6522 3.9216 3.9216 3.9354 3.9354 3.9998 3.9998 4.0184 4.0184 4.6308 4.6308 4.6552 4.6552 4.7969 4.7969 4.8181 4.8181 5.6674 5.6674 5.6850 5.6850 5.8117 5.8117 5.8322 5.8322 6.1899 6.1899 6.2586 6.2586 6.4027 6.4027 6.5655 6.5655 6.7335 6.7335 6.7825 6.7825 6.8765 6.8765 6.9393 6.9393 7.1350 7.1350 7.1825 7.1825 7.3260 7.3260 7.3964 7.3964 7.6970 7.6970 7.7981 7.7981 7.8299 7.8299 7.9247 7.9247 8.7173 8.7173 8.8064 8.8064 9.0708 9.0708 9.1242 9.1242 10.5653 10.5653 10.6619 10.6619 11.0763 11.0763 11.1545 11.1545 11.3389 11.3389 11.3905 11.3905 12.0106 12.0106 12.0277 12.0277 13.2695 13.2695 13.3459 13.3459 k = 0.4400 0.5000-0.0000 ( 7592 PWs) bands (ev): -3.9463 -3.9463 -3.9446 -3.9446 -3.6545 -3.6545 -3.6513 -3.6513 -0.1517 -0.1517 -0.1447 -0.1447 0.6410 0.6410 0.6485 0.6485 3.9147 3.9147 3.9250 3.9250 3.9924 3.9924 4.0064 4.0064 4.6413 4.6413 4.6607 4.6607 4.7953 4.7953 4.8122 4.8122 5.6745 5.6745 5.6881 5.6881 5.8179 5.8179 5.8327 5.8327 6.2295 6.2295 6.2977 6.2977 6.4239 6.4239 6.5697 6.5697 6.7415 6.7415 6.7823 6.7823 6.8561 6.8561 6.9163 6.9163 7.1446 7.1446 7.1939 7.1939 7.3058 7.3058 7.3703 7.3703 7.7041 7.7041 7.7899 7.7899 7.8289 7.8289 7.9085 7.9085 8.7621 8.7621 8.8435 8.8435 9.0583 9.0583 9.1072 9.1072 10.6258 10.6258 10.7200 10.7200 11.0564 11.0564 11.1264 11.1264 11.3177 11.3177 11.3694 11.3694 11.9747 11.9747 11.9880 11.9880 13.2870 13.2870 13.3521 13.3521 k = 0.4600 0.5000-0.0000 ( 7600 PWs) bands (ev): -3.9388 -3.9388 -3.9376 -3.9376 -3.6594 -3.6594 -3.6572 -3.6572 -0.1564 -0.1564 -0.1517 -0.1517 0.6406 0.6406 0.6455 0.6455 3.9102 3.9102 3.9171 3.9171 3.9876 3.9876 3.9970 3.9970 4.6497 4.6497 4.6633 4.6633 4.7955 4.7955 4.8072 4.8072 5.6804 5.6804 5.6897 5.6897 5.8223 5.8223 5.8319 5.8319 6.2661 6.2661 6.3230 6.3230 6.4503 6.4503 6.5629 6.5629 6.7526 6.7526 6.7887 6.7887 6.8323 6.8323 6.8892 6.8892 7.1596 7.1596 7.2041 7.2041 7.2908 7.2908 7.3442 7.3442 7.7139 7.7139 7.7736 7.7736 7.8382 7.8382 7.8930 7.8930 8.8057 8.8057 8.8732 8.8732 9.0418 9.0418 9.0850 9.0850 10.6908 10.6908 10.7751 10.7751 11.0270 11.0270 11.0901 11.0901 11.3081 11.3081 11.3503 11.3503 11.9480 11.9480 11.9571 11.9571 13.3059 13.3059 13.3544 13.3544 k = 0.4800 0.5000-0.0000 ( 7612 PWs) bands (ev): -3.9340 -3.9340 -3.9333 -3.9333 -3.6623 -3.6623 -3.6612 -3.6612 -0.1587 -0.1587 -0.1564 -0.1564 0.6408 0.6408 0.6433 0.6433 3.9081 3.9081 3.9116 3.9116 3.9857 3.9857 3.9903 3.9903 4.6562 4.6562 4.6632 4.6632 4.7970 4.7970 4.8030 4.8030 5.6849 5.6849 5.6897 5.6897 5.8256 5.8256 5.8303 5.8303 6.2969 6.2969 6.3294 6.3294 6.4829 6.4829 6.5446 6.5446 6.7662 6.7662 6.7979 6.7979 6.8151 6.8151 6.8603 6.8603 7.1774 7.1774 7.2053 7.2053 7.2877 7.2877 7.3197 7.3197 7.7261 7.7261 7.7565 7.7565 7.8504 7.8504 7.8781 7.8781 8.8455 8.8455 8.8868 8.8868 9.0323 9.0323 9.0607 9.0607 10.7539 10.7539 10.8111 10.8111 11.0031 11.0031 11.0482 11.0482 11.3097 11.3097 11.3333 11.3333 11.9322 11.9322 11.9369 11.9369 13.3243 13.3243 13.3505 13.3505 k = 0.5000 0.5000-0.0000 ( 7660 PWs) bands (ev): -3.9321 -3.9321 -3.9321 -3.9321 -3.6630 -3.6630 -3.6630 -3.6630 -0.1587 -0.1587 -0.1587 -0.1587 0.6417 0.6417 0.6417 0.6417 3.9086 3.9086 3.9086 3.9086 3.9866 3.9866 3.9866 3.9866 4.6607 4.6607 4.6607 4.6607 4.7996 4.7996 4.7996 4.7996 5.6881 5.6881 5.6881 5.6881 5.8282 5.8282 5.8282 5.8282 6.3192 6.3192 6.3192 6.3192 6.5165 6.5165 6.5165 6.5165 6.7828 6.7828 6.7828 6.7828 6.8328 6.8328 6.8328 6.8328 7.1945 7.1945 7.1945 7.1945 7.2992 7.2992 7.2992 7.2992 7.7404 7.7404 7.7404 7.7404 7.8639 7.8639 7.8639 7.8639 8.8758 8.8758 8.8758 8.8758 9.0400 9.0400 9.0400 9.0400 10.8022 10.8022 10.8022 10.8022 11.0115 11.0115 11.0115 11.0115 11.3191 11.3191 11.3191 11.3191 11.9284 11.9284 11.9284 11.9284 13.3400 13.3400 13.3400 13.3400 k = 0.5000 0.5000-0.0000 ( 7660 PWs) bands (ev): -3.9321 -3.9321 -3.9321 -3.9321 -3.6630 -3.6630 -3.6630 -3.6630 -0.1587 -0.1587 -0.1587 -0.1587 0.6417 0.6417 0.6417 0.6417 3.9086 3.9086 3.9086 3.9086 3.9866 3.9866 3.9866 3.9866 4.6607 4.6607 4.6607 4.6607 4.7996 4.7996 4.7996 4.7996 5.6881 5.6881 5.6881 5.6881 5.8282 5.8282 5.8282 5.8282 6.3192 6.3192 6.3192 6.3192 6.5165 6.5165 6.5165 6.5165 6.7828 6.7828 6.7828 6.7828 6.8328 6.8328 6.8328 6.8328 7.1945 7.1945 7.1945 7.1945 7.2992 7.2992 7.2992 7.2992 7.7404 7.7404 7.7404 7.7404 7.8639 7.8639 7.8639 7.8639 8.8758 8.8758 8.8758 8.8758 9.0400 9.0400 9.0400 9.0400 10.8022 10.8022 10.8022 10.8022 11.0115 11.0115 11.0115 11.0115 11.3191 11.3191 11.3191 11.3191 11.9284 11.9284 11.9284 11.9284 13.3400 13.3400 13.3400 13.3400 k = 0.4861 0.4861-0.0000 ( 7610 PWs) bands (ev): -3.9357 -3.9353 -3.9317 -3.9316 -3.6630 -3.6628 -3.6610 -3.6605 -0.1595 -0.1581 -0.1573 -0.1558 0.6399 0.6414 0.6430 0.6444 3.8964 3.8998 3.9118 3.9138 3.9814 3.9866 3.9988 4.0006 4.6482 4.6529 4.6667 4.6716 4.7901 4.7934 4.8078 4.8110 5.6749 5.6766 5.6978 5.7006 5.8172 5.8210 5.8359 5.8387 6.2998 6.3036 6.3163 6.3370 6.4898 6.4930 6.5300 6.5396 6.7526 6.7727 6.7808 6.8039 6.8154 6.8337 6.8445 6.8689 7.1680 7.1846 7.1999 7.2197 7.2820 7.2946 7.3090 7.3263 7.7280 7.7291 7.7503 7.7511 7.8520 7.8597 7.8706 7.8799 8.8438 8.8525 8.8787 8.8873 9.0237 9.0300 9.0593 9.0706 10.7563 10.7736 10.7973 10.8211 10.9985 11.0143 11.0203 11.0584 11.3078 11.3155 11.3255 11.3428 11.9268 11.9292 11.9358 11.9419 13.3212 13.3333 13.3396 13.3521 k = 0.4722 0.4722-0.0000 ( 7604 PWs) bands (ev): -3.9457 -3.9450 -3.9306 -3.9304 -3.6628 -3.6624 -3.6551 -3.6541 -0.1594 -0.1565 -0.1524 -0.1496 0.6391 0.6421 0.6453 0.6480 3.8818 3.8900 3.9067 3.9114 3.9873 4.0004 4.0173 4.0207 4.6339 4.6431 4.6711 4.6812 4.7828 4.7901 4.8171 4.8236 5.6610 5.6641 5.7048 5.7123 5.8057 5.8147 5.8435 5.8491 6.2716 6.2795 6.2959 6.3522 6.4547 6.4675 6.5266 6.5612 6.7283 6.7519 6.7699 6.8058 6.8222 6.8432 6.8718 6.9092 7.1417 7.1669 7.2047 7.2414 7.2771 7.2990 7.3224 7.3581 7.7144 7.7181 7.7573 7.7603 7.8444 7.8573 7.8807 7.8993 8.7952 8.8134 8.8673 8.8870 9.0057 9.0160 9.0930 9.1156 10.6923 10.7311 10.7571 10.8262 10.9844 11.0222 11.0612 11.1210 11.2982 11.3086 11.3511 11.3825 11.9305 11.9369 11.9542 11.9692 13.2975 13.3208 13.3328 13.3578 k = 0.4583 0.4583-0.0000 ( 7596 PWs) bands (ev): -3.9611 -3.9602 -3.9286 -3.9284 -3.6622 -3.6617 -3.6461 -3.6447 -0.1586 -0.1542 -0.1441 -0.1398 0.6390 0.6437 0.6487 0.6526 3.8673 3.8812 3.8975 3.9045 4.0019 4.0228 4.0387 4.0453 4.6179 4.6310 4.6741 4.6899 4.7779 4.7904 4.8269 4.8369 5.6466 5.6510 5.7082 5.7227 5.7935 5.8098 5.8505 5.8596 6.2277 6.2566 6.2641 6.3619 6.4120 6.4433 6.5037 6.5801 6.7115 6.7318 6.7597 6.8072 6.8282 6.8567 6.9014 6.9497 7.1169 7.1438 7.2102 7.2597 7.2798 7.3135 7.3403 7.3906 7.7002 7.7094 7.7602 7.7687 7.8402 7.8563 7.8949 7.9214 8.7398 8.7670 8.8480 8.8795 8.9797 8.9943 9.1314 9.1642 10.6260 10.6701 10.7220 10.8183 10.9681 11.0183 11.1174 11.1791 11.2934 11.3019 11.4009 11.4361 11.9373 11.9473 11.9853 12.0080 13.2719 13.3053 13.3214 13.3582 k = 0.4444 0.4444-0.0000 ( 7596 PWs) bands (ev): -3.9810 -3.9799 -3.9259 -3.9256 -3.6615 -3.6608 -3.6350 -3.6334 -0.1571 -0.1513 -0.1322 -0.1265 0.6395 0.6460 0.6531 0.6582 3.8542 3.8742 3.8880 3.8969 4.0213 4.0502 4.0621 4.0734 4.6005 4.6167 4.6764 4.6979 4.7751 4.7944 4.8366 4.8503 5.6316 5.6376 5.7071 5.7309 5.7812 5.8061 5.8564 5.8705 6.1758 6.2178 6.2393 6.3512 6.3733 6.4255 6.4646 6.5940 6.7007 6.7177 6.7489 6.8085 6.8333 6.8707 6.9283 6.9858 7.0949 7.1201 7.2166 7.2765 7.2883 7.3305 7.3644 7.4214 7.6865 7.7046 7.7599 7.7767 7.8389 7.8563 7.9132 7.9453 8.6830 8.7183 8.8224 8.8655 8.9454 8.9647 9.1674 9.2096 10.5632 10.6057 10.6930 10.8021 10.9485 11.0080 11.1620 11.2167 11.2958 11.3229 11.4693 11.5010 11.9455 11.9577 12.0263 12.0554 13.2472 13.2894 13.3066 13.3544 k = 0.4306 0.4306-0.0000 ( 7598 PWs) bands (ev): -4.0042 -4.0030 -3.9224 -3.9220 -3.6605 -3.6596 -3.6229 -3.6210 -0.1548 -0.1476 -0.1169 -0.1098 0.6407 0.6491 0.6585 0.6648 3.8429 3.8693 3.8798 3.8906 4.0434 4.0810 4.0868 4.1044 4.5820 4.6006 4.6784 4.7056 4.7745 4.8014 4.8460 4.8635 5.6157 5.6240 5.7014 5.7343 5.7705 5.8029 5.8609 5.8817 6.1197 6.1715 6.2174 6.3028 6.3528 6.4159 6.4195 6.5995 6.6950 6.7081 6.7374 6.8096 6.8370 6.8826 6.9514 7.0109 7.0799 7.0987 7.2243 7.2907 7.3035 7.3459 7.3930 7.4480 7.6751 7.7050 7.7580 7.7840 7.8405 7.8569 7.9346 7.9704 8.6269 8.6694 8.7908 8.8451 8.9033 8.9282 9.1971 9.2475 10.5066 10.5459 10.6694 10.7825 10.9257 10.9921 11.1779 11.2300 11.3255 11.3767 11.5487 11.5746 11.9531 11.9661 12.0744 12.1088 13.2255 13.2743 13.2897 13.3473 k = 0.4167 0.4167-0.0000 ( 7590 PWs) bands (ev): -4.0299 -4.0287 -3.9181 -3.9177 -3.6594 -3.6583 -3.6103 -3.6082 -0.1517 -0.1430 -0.0984 -0.0898 0.6423 0.6526 0.6648 0.6722 3.8339 3.8668 3.8738 3.8863 4.0674 4.1125 4.1146 4.1380 4.5628 4.5833 4.6807 4.7129 4.7757 4.8107 4.8548 4.8762 5.5988 5.6103 5.6911 5.7276 5.7657 5.7985 5.8637 5.8927 6.0626 6.1250 6.1937 6.2505 6.3225 6.3677 6.4185 6.5945 6.6929 6.7024 6.7257 6.8102 6.8385 6.8913 6.9674 7.0203 7.0751 7.0848 7.2340 7.3029 7.3214 7.3612 7.4214 7.4689 7.6681 7.7108 7.7562 7.7899 7.8452 7.8586 7.9580 7.9961 8.5726 8.6214 8.7534 8.8177 8.8545 8.8867 9.2177 9.2749 10.4570 10.4939 10.6519 10.7630 10.9014 10.9719 11.1794 11.2281 11.3861 11.4417 11.6327 11.6547 11.9581 11.9702 12.1272 12.1661 13.2080 13.2602 13.2716 13.3375 k = 0.4028 0.4028-0.0000 ( 7596 PWs) bands (ev): -4.0575 -4.0562 -3.9131 -3.9126 -3.6580 -3.6567 -3.5980 -3.5958 -0.1477 -0.1375 -0.0768 -0.0667 0.6442 0.6565 0.6720 0.6804 3.8272 3.8659 3.8711 3.8845 4.0926 4.1391 4.1506 4.1739 4.5434 4.5654 4.6835 4.7200 4.7784 4.8215 4.8629 4.8882 5.5799 5.5966 5.6763 5.7105 5.7658 5.7914 5.8648 5.9014 6.0081 6.0814 6.1626 6.2064 6.2783 6.3290 6.4166 6.5804 6.6869 6.7039 6.7145 6.8104 6.8367 6.8969 6.9691 7.0265 7.0643 7.0892 7.2455 7.3129 7.3384 7.3783 7.4437 7.4847 7.6678 7.7193 7.7565 7.7951 7.8519 7.8636 7.9818 8.0219 8.5201 8.5748 8.7103 8.7804 8.8021 8.8427 9.2278 9.2898 10.4137 10.4510 10.6405 10.7444 10.8790 10.9500 11.1831 11.2247 11.4593 11.5094 11.7173 11.7389 11.9584 11.9682 12.1827 12.2262 13.1944 13.2454 13.2540 13.3253 k = 0.3889 0.3889-0.0000 ( 7588 PWs) bands (ev): -4.0864 -4.0852 -3.9074 -3.9069 -3.6565 -3.6550 -3.5862 -3.5839 -0.1427 -0.1311 -0.0522 -0.0406 0.6463 0.6607 0.6799 0.6894 3.8231 3.8654 3.8731 3.8855 4.1186 4.1661 4.1886 4.2118 4.5243 4.5475 4.6869 4.7269 4.7823 4.8331 4.8701 4.8994 5.5584 5.5830 5.6561 5.6882 5.7647 5.7819 5.8640 5.8989 5.9662 6.0413 6.1222 6.1762 6.2275 6.2988 6.4106 6.5602 6.6780 6.7040 6.7081 6.8102 6.8314 6.8998 6.9589 7.0384 7.0548 7.0953 7.2576 7.3191 7.3541 7.3968 7.4549 7.4982 7.6754 7.7253 7.7606 7.8016 7.8576 7.8750 8.0048 8.0473 8.4691 8.5300 8.6621 8.7278 8.7520 8.7994 9.2267 9.2914 10.3756 10.4170 10.6342 10.7254 10.8622 10.9306 11.1950 11.2256 11.5378 11.5776 11.8003 11.8238 11.9530 11.9596 12.2391 12.2888 13.1837 13.2267 13.2399 13.3109 k = 0.3750 0.3750-0.0000 ( 7599 PWs) bands (ev): -4.1163 -4.1152 -3.9011 -3.9004 -3.6548 -3.6531 -3.5752 -3.5729 -0.1365 -0.1235 -0.0251 -0.0119 0.6484 0.6651 0.6884 0.6990 3.8215 3.8664 3.8791 3.8894 4.1450 4.1935 4.2282 4.2513 4.5061 4.5304 4.6908 4.7338 4.7868 4.8448 4.8766 4.9095 5.5332 5.5693 5.6268 5.6664 5.7560 5.7738 5.8567 5.8723 5.9529 6.0023 6.0855 6.1483 6.1837 6.2721 6.3997 6.5366 6.6682 6.6954 6.7099 6.8095 6.8229 6.9003 6.9460 7.0485 7.0514 7.0986 7.2687 7.3215 7.3680 7.4146 7.4561 7.5091 7.6884 7.7281 7.7659 7.8115 7.8645 7.8916 8.0255 8.0717 8.4187 8.4871 8.6097 8.6644 8.7021 8.7585 9.2149 9.2805 10.3417 10.3899 10.6293 10.7039 10.8532 10.9209 11.2165 11.2337 11.6184 11.6451 11.8790 11.8984 11.9427 11.9524 12.2949 12.3538 13.1738 13.2048 13.2283 13.2949 k = 0.3611 0.3611-0.0000 ( 7585 PWs) bands (ev): -4.1469 -4.1458 -3.8940 -3.8933 -3.6529 -3.6511 -3.5653 -3.5629 -0.1291 -0.1147 0.0045 0.0194 0.6505 0.6695 0.6973 0.7090 3.8227 3.8697 3.8882 3.8963 4.1716 4.2210 4.2688 4.2918 4.4895 4.5149 4.6951 4.7407 4.7914 4.8558 4.8825 4.9185 5.5039 5.5542 5.5889 5.6486 5.7397 5.7648 5.8188 5.8608 5.9383 5.9775 6.0601 6.1122 6.1579 6.2473 6.3840 6.5113 6.6580 6.6880 6.7082 6.8056 6.8142 6.8988 6.9347 7.0456 7.0614 7.0999 7.2776 7.3211 7.3780 7.4279 7.4551 7.5157 7.6981 7.7319 7.7722 7.8219 7.8747 7.9122 8.0422 8.0940 8.3677 8.4459 8.5550 8.5967 8.6514 8.7202 9.1934 9.2587 10.3113 10.3671 10.6197 10.6799 10.8515 10.9284 11.2421 11.2566 11.6968 11.7129 11.9004 11.9190 11.9647 12.0054 12.3491 12.4209 13.1625 13.1808 13.2196 13.2786 k = 0.3472 0.3472-0.0000 ( 7595 PWs) bands (ev): -4.1778 -4.1767 -3.8864 -3.8856 -3.6510 -3.6490 -3.5564 -3.5540 -0.1205 -0.1046 0.0362 0.0529 0.6524 0.6739 0.7066 0.7192 3.8267 3.8755 3.9001 3.9065 4.1980 4.2483 4.3093 4.3322 4.4759 4.5020 4.6995 4.7477 4.7957 4.8653 4.8882 4.9260 5.4713 5.5281 5.5556 5.6342 5.7184 5.7409 5.7856 5.8480 5.9019 5.9792 6.0414 6.0782 6.1430 6.2247 6.3648 6.4857 6.6480 6.6816 6.7027 6.7931 6.8113 6.8960 6.9259 7.0448 7.0672 7.1007 7.2838 7.3193 7.3807 7.4329 7.4599 7.5181 7.6978 7.7336 7.7866 7.8296 7.8872 7.9359 8.0538 8.1128 8.3154 8.4047 8.5004 8.5279 8.6031 8.6849 9.1638 9.2283 10.2839 10.3467 10.6001 10.6546 10.8584 10.9529 11.2673 11.2998 11.7603 11.7864 11.8759 11.8993 12.0363 12.0811 12.4009 12.4893 13.1471 13.1549 13.2164 13.2650 k = 0.3333 0.3333-0.0000 ( 7607 PWs) bands (ev): -4.2088 -4.2078 -3.8781 -3.8773 -3.6489 -3.6468 -3.5488 -3.5464 -0.1105 -0.0931 0.0698 0.0884 0.6540 0.6783 0.7160 0.7296 3.8336 3.8839 3.9146 3.9203 4.2237 4.2751 4.3470 4.3705 4.4681 4.4938 4.7038 4.7547 4.7994 4.8724 4.8937 4.9318 5.4369 5.4832 5.5388 5.6222 5.6881 5.7015 5.7689 5.8184 5.8785 5.9795 6.0244 6.0572 6.1321 6.2061 6.3436 6.4613 6.6384 6.6756 6.6936 6.7771 6.8094 6.8919 6.9196 7.0451 7.0676 7.1026 7.2871 7.3167 7.3745 7.4341 7.4678 7.5175 7.6907 7.7273 7.8073 7.8360 7.8987 7.9603 8.0592 8.1259 8.2615 8.3608 8.4466 8.4634 8.5623 8.6536 9.1278 9.1915 10.2589 10.3277 10.5718 10.6269 10.8751 10.9878 11.3004 11.3554 11.7911 11.8381 11.8787 11.8913 12.1054 12.1535 12.4501 12.5570 13.1266 13.1274 13.2212 13.2585 k = 0.3194 0.3194-0.0000 ( 7603 PWs) bands (ev): -4.2397 -4.2388 -3.8693 -3.8684 -3.6468 -3.6445 -3.5423 -3.5399 -0.0990 -0.0803 0.1048 0.1255 0.6553 0.6826 0.7254 0.7398 3.8433 3.8949 3.9312 3.9378 4.2479 4.3007 4.3765 4.4019 4.4723 4.4942 4.7076 4.7616 4.8022 4.8763 4.8995 4.9360 5.4030 5.4347 5.5257 5.6102 5.6454 5.6650 5.7539 5.7815 5.8675 5.9663 6.0124 6.0491 6.1225 6.1939 6.3228 6.4391 6.6292 6.6695 6.6820 6.7599 6.8063 6.8868 6.9154 7.0458 7.0630 7.1049 7.2874 7.3140 7.3620 7.4344 7.4729 7.5147 7.6793 7.7149 7.8208 7.8481 7.9068 7.9816 8.0579 8.1308 8.2074 8.3132 8.3885 8.4132 8.5339 8.6276 9.0867 9.1502 10.2360 10.3095 10.5391 10.5958 10.8983 11.0244 11.3436 11.4207 11.7724 11.8258 11.9232 11.9490 12.1695 12.2197 12.4968 12.6217 13.0983 13.1029 13.2338 13.2652 k = 0.3056 0.3056-0.0000 ( 7595 PWs) bands (ev): -4.2704 -4.2695 -3.8600 -3.8591 -3.6447 -3.6422 -3.5371 -3.5347 -0.0861 -0.0660 0.1409 0.1639 0.6564 0.6869 0.7344 0.7497 3.8559 3.9084 3.9502 3.9586 4.2698 4.3239 4.3913 4.4223 4.4932 4.5094 4.7104 4.7683 4.8036 4.8767 4.9057 4.9385 5.3716 5.3885 5.5119 5.5848 5.6155 5.6257 5.7333 5.7521 5.8587 5.9452 6.0007 6.0488 6.1136 6.1895 6.3045 6.4201 6.6205 6.6624 6.6688 6.7424 6.8013 6.8810 6.9123 7.0456 7.0554 7.1064 7.2847 7.3112 7.3468 7.4320 7.4725 7.5098 7.6645 7.6980 7.8224 7.8648 7.9107 7.9943 8.0496 8.1242 8.1555 8.2658 8.3343 8.3738 8.5196 8.6079 9.0418 9.1058 10.2150 10.2921 10.5049 10.5622 10.9219 11.0548 11.3973 11.4932 11.7428 11.8095 11.9724 12.0200 12.2280 12.2795 12.5419 12.6801 13.0688 13.0774 13.2529 13.2900 k = 0.2917 0.2917-0.0000 ( 7599 PWs) bands (ev): -4.3007 -4.2999 -3.8502 -3.8492 -3.6425 -3.6399 -3.5330 -3.5306 -0.0717 -0.0501 0.1777 0.2033 0.6571 0.6914 0.7430 0.7590 3.8714 3.9244 3.9717 3.9825 4.2880 4.3419 4.3980 4.4348 4.5225 4.5391 4.7119 4.7748 4.8029 4.8737 4.9130 4.9398 5.3404 5.3510 5.4939 5.5438 5.5844 5.6077 5.7064 5.7298 5.8492 5.9237 5.9865 6.0483 6.1091 6.1902 6.2914 6.4050 6.6123 6.6510 6.6580 6.7249 6.7938 6.8750 6.9089 7.0405 7.0490 7.1062 7.2788 7.3081 7.3314 7.4258 7.4646 7.5019 7.6468 7.6781 7.8182 7.8745 7.9105 7.9930 8.0319 8.1042 8.1123 8.2244 8.2925 8.3431 8.5173 8.5947 8.9941 9.0594 10.1959 10.2756 10.4709 10.5276 10.9395 11.0717 11.4595 11.5689 11.7240 11.8052 12.0204 12.0851 12.2810 12.3343 12.5864 12.7296 13.0396 13.0520 13.2823 13.3306 k = 0.2778 0.2778-0.0000 ( 7585 PWs) bands (ev): -4.3303 -4.3296 -3.8400 -3.8390 -3.6404 -3.6377 -3.5300 -3.5276 -0.0557 -0.0327 0.2148 0.2432 0.6577 0.6961 0.7509 0.7676 3.8897 3.9426 3.9956 4.0090 4.3015 4.3513 4.4078 4.4468 4.5512 4.5744 4.7121 4.7813 4.7986 4.8692 4.9219 4.9410 5.3053 5.3288 5.4681 5.5017 5.5548 5.6026 5.6769 5.7076 5.8383 5.9040 5.9716 6.0430 6.1121 6.1919 6.2857 6.3943 6.6044 6.6352 6.6496 6.7078 6.7837 6.8690 6.9045 7.0278 7.0460 7.1037 7.2695 7.3040 7.3177 7.4152 7.4467 7.4900 7.6275 7.6572 7.8100 7.8687 7.9070 7.9763 8.0028 8.0689 8.0895 8.1924 8.2649 8.3231 8.5232 8.5872 8.9446 9.0118 10.1786 10.2600 10.4379 10.4930 10.9448 11.0706 11.5253 11.6382 11.7320 11.8222 12.0617 12.1420 12.3299 12.3867 12.6315 12.7693 13.0118 13.0276 13.3249 13.3824 k = 0.2639 0.2639-0.0000 ( 7573 PWs) bands (ev): -4.3593 -4.3586 -3.8295 -3.8284 -3.6382 -3.6354 -3.5280 -3.5257 -0.0383 -0.0138 0.2516 0.2831 0.6582 0.7012 0.7580 0.7751 3.9106 3.9627 4.0216 4.0378 4.3099 4.3527 4.4236 4.4620 4.5737 4.6083 4.7112 4.7838 4.7941 4.8653 4.9312 4.9461 5.2744 5.3145 5.4372 5.4592 5.5390 5.5985 5.6452 5.6838 5.8261 5.8867 5.9581 6.0350 6.1200 6.1912 6.2887 6.3882 6.5966 6.6184 6.6407 6.6912 6.7711 6.8628 6.8980 7.0114 7.0420 7.0986 7.2568 7.2967 7.3072 7.3979 7.4188 7.4731 7.6075 7.6382 7.7977 7.8443 7.8978 7.9494 7.9712 8.0325 8.0761 8.1679 8.2485 8.3130 8.5335 8.5843 8.8942 8.9636 10.1633 10.2454 10.4064 10.4591 10.9338 11.0501 11.5877 11.6909 11.7799 11.8679 12.0930 12.1898 12.3778 12.4390 12.6779 12.8008 12.9861 13.0048 13.3790 13.4402 k = 0.2500 0.2500-0.0000 ( 7549 PWs) bands (ev): -4.3874 -4.3868 -3.8186 -3.8174 -3.6362 -3.6333 -3.5271 -3.5248 -0.0193 0.0066 0.2876 0.3225 0.6589 0.7072 0.7640 0.7814 3.9338 3.9844 4.0494 4.0684 4.3144 4.3505 4.4420 4.4802 4.5870 4.6359 4.7091 4.7728 4.8015 4.8624 4.9386 4.9606 5.2492 5.3057 5.4054 5.4209 5.5317 5.5910 5.6128 5.6604 5.8130 5.8723 5.9470 6.0276 6.1295 6.1880 6.2988 6.3868 6.5880 6.6016 6.6309 6.6751 6.7563 6.8562 6.8889 6.9917 7.0357 7.0906 7.2411 7.2840 7.3002 7.3628 7.3939 7.4505 7.5870 7.6230 7.7794 7.8069 7.8795 7.9235 7.9426 8.0016 8.0659 8.1478 8.2392 8.3100 8.5453 8.5840 8.8436 8.9152 10.1500 10.2319 10.3770 10.4267 10.9063 11.0125 11.6447 11.7389 11.8535 11.9407 12.1129 12.2296 12.4277 12.4918 12.7261 12.8277 12.9630 12.9842 13.4397 13.4988 k = 0.2361 0.2361-0.0000 ( 7569 PWs) bands (ev): -4.4146 -4.4140 -3.8074 -3.8062 -3.6342 -3.6312 -3.5271 -3.5249 0.0012 0.0285 0.3222 0.3607 0.6601 0.7142 0.7689 0.7862 3.9591 4.0071 4.0784 4.1002 4.3166 4.3472 4.4608 4.4990 4.5920 4.6533 4.7038 4.7628 4.8114 4.8612 4.9482 4.9830 5.2292 5.3007 5.3724 5.3932 5.5278 5.5677 5.5888 5.6432 5.7999 5.8607 5.9387 6.0221 6.1386 6.1835 6.3133 6.3898 6.5756 6.5876 6.6199 6.6595 6.7397 6.8485 6.8770 6.9683 7.0265 7.0792 7.2206 7.2658 7.2935 7.3143 7.3750 7.4228 7.5665 7.6104 7.7463 7.7754 7.8539 7.9020 7.9195 7.9755 8.0566 8.1299 8.2332 8.3103 8.5561 8.5846 8.7940 8.8670 10.1387 10.2195 10.3497 10.3961 10.8653 10.9623 11.7006 11.7883 11.9403 12.0288 12.1241 12.2638 12.4811 12.5441 12.7765 12.8540 12.9435 12.9665 13.5003 13.5523 k = 0.2222 0.2222-0.0000 ( 7561 PWs) bands (ev): -4.4407 -4.4402 -3.7959 -3.7947 -3.6323 -3.6293 -3.5280 -3.5258 0.0232 0.0519 0.3547 0.3969 0.6622 0.7227 0.7725 0.7895 3.9857 4.0300 4.1080 4.1324 4.3175 4.3433 4.4786 4.5152 4.5927 4.6584 4.6962 4.7574 4.8198 4.8648 4.9619 5.0107 5.2134 5.2976 5.3419 5.3753 5.5163 5.5417 5.5675 5.6375 5.7872 5.8518 5.9331 6.0190 6.1460 6.1788 6.3293 6.3969 6.5580 6.5777 6.6078 6.6444 6.7220 6.8391 6.8628 6.9405 7.0141 7.0633 7.1890 7.2431 7.2619 7.2908 7.3574 7.3932 7.5454 7.5973 7.7056 7.7532 7.8272 7.8834 7.9014 7.9523 8.0473 8.1128 8.2282 8.3107 8.5637 8.5843 8.7468 8.8195 10.1296 10.2083 10.3248 10.3678 10.8153 10.9043 11.7563 11.8354 12.0350 12.1073 12.1471 12.2962 12.5379 12.5939 12.8288 12.8834 12.9296 12.9523 13.5541 13.5965 k = 0.2083 0.2083-0.0000 ( 7567 PWs) bands (ev): -4.4657 -4.4652 -3.7843 -3.7831 -3.6305 -3.6275 -3.5297 -3.5275 0.0465 0.0767 0.3846 0.4300 0.6657 0.7331 0.7750 0.7913 4.0129 4.0520 4.1372 4.1639 4.3179 4.3386 4.4947 4.5263 4.5931 4.6546 4.6924 4.7516 4.8274 4.8748 4.9786 5.0413 5.2003 5.2935 5.3190 5.3645 5.4849 5.5254 5.5552 5.6405 5.7752 5.8450 5.9301 6.0184 6.1512 6.1746 6.3446 6.4070 6.5385 6.5683 6.5944 6.6299 6.7035 6.8267 6.8472 6.9080 6.9986 7.0397 7.1439 7.2108 7.2277 7.2856 7.3377 7.3677 7.5219 7.5809 7.6733 7.7334 7.8040 7.8670 7.8863 7.9312 8.0368 8.0954 8.2226 8.3094 8.5647 8.5821 8.7039 8.7732 10.1225 10.1982 10.3025 10.3423 10.7601 10.8427 11.8065 11.8757 12.1200 12.1416 12.2307 12.3321 12.5973 12.6389 12.8765 12.9179 12.9303 12.9431 13.5965 13.6301 k = 0.1944 0.1944-0.0000 ( 7567 PWs) bands (ev): -4.4895 -4.4890 -3.7726 -3.7714 -3.6289 -3.6258 -3.5321 -3.5300 0.0712 0.1028 0.4113 0.4589 0.6709 0.7456 0.7762 0.7919 4.0394 4.0719 4.1650 4.1933 4.3172 4.3322 4.5089 4.5343 4.5914 4.6556 4.6910 4.7445 4.8362 4.8881 4.9968 5.0720 5.1885 5.2822 5.3094 5.3586 5.4514 5.5014 5.5595 5.6484 5.7644 5.8398 5.9294 6.0200 6.1539 6.1712 6.3567 6.4186 6.5197 6.5577 6.5793 6.6162 6.6849 6.8102 6.8312 6.8709 6.9802 7.0023 7.0998 7.1658 7.2084 7.2818 7.3108 7.3519 7.4953 7.5608 7.6529 7.7168 7.7851 7.8523 7.8734 7.9124 8.0250 8.0772 8.2152 8.3053 8.5545 8.5786 8.6679 8.7288 10.1175 10.1892 10.2829 10.3198 10.7030 10.7806 11.8437 11.9028 12.1477 12.2348 12.3168 12.3800 12.6581 12.6774 12.8983 12.9349 12.9572 12.9775 13.6269 13.6556 k = 0.1806 0.1806-0.0000 ( 7575 PWs) bands (ev): -4.5119 -4.5115 -3.7608 -3.7595 -3.6274 -3.6244 -3.5351 -3.5331 0.0970 0.1301 0.4344 0.4825 0.6777 0.7602 0.7758 0.7925 4.0639 4.0890 4.1901 4.2186 4.3143 4.3234 4.5213 4.5457 4.5874 4.6680 4.6875 4.7416 4.8463 4.9020 5.0149 5.0996 5.1774 5.2669 5.3086 5.3559 5.4224 5.4796 5.5697 5.6597 5.7551 5.8360 5.9307 6.0238 6.1538 6.1685 6.3621 6.4288 6.5048 6.5453 6.5612 6.6038 6.6663 6.7903 6.8110 6.8328 6.9486 6.9624 7.0669 7.1201 7.1896 7.2776 7.2809 7.3428 7.4675 7.5393 7.6415 7.7046 7.7696 7.8390 7.8620 7.8958 8.0117 8.0581 8.2047 8.2978 8.5330 8.5719 8.6398 8.6869 10.1143 10.1811 10.2662 10.3008 10.6464 10.7202 11.8639 11.9116 12.1900 12.3280 12.3836 12.4487 12.7062 12.7206 12.9114 12.9402 13.0056 13.0451 13.6484 13.6772 k = 0.1667 0.1667-0.0000 ( 7563 PWs) bands (ev): -4.5329 -4.5326 -3.7489 -3.7477 -3.6260 -3.6230 -3.5388 -3.5369 0.1241 0.1586 0.4537 0.5003 0.6848 0.7727 0.7765 0.7960 4.0846 4.1028 4.2102 4.2379 4.3072 4.3133 4.5339 4.5651 4.5875 4.6811 4.6884 4.7460 4.8572 4.9155 5.0319 5.1188 5.1700 5.2519 5.3096 5.3555 5.3999 5.4649 5.5818 5.6732 5.7480 5.8332 5.9335 6.0294 6.1515 6.1656 6.3570 6.4339 6.4971 6.5317 6.5388 6.5934 6.6485 6.7681 6.7760 6.8030 6.8971 6.9416 7.0403 7.0770 7.1683 7.2452 7.2793 7.3368 7.4416 7.5179 7.6354 7.6968 7.7569 7.8271 7.8521 7.8816 7.9973 8.0381 8.1904 8.2869 8.5049 8.5597 8.6166 8.6486 10.1130 10.1740 10.2524 10.2853 10.5917 10.6630 11.8682 11.9042 12.2483 12.4118 12.4397 12.5233 12.7292 12.7774 12.9363 12.9581 13.0652 13.1208 13.6655 13.6981 k = 0.1528 0.1528-0.0000 ( 7569 PWs) bands (ev): -4.5525 -4.5522 -3.7370 -3.7359 -3.6248 -3.6219 -3.5430 -3.5412 0.1521 0.1881 0.4693 0.5125 0.6899 0.7664 0.7925 0.8064 4.0994 4.1142 4.2217 4.2502 4.2950 4.3046 4.5501 4.5913 4.5972 4.6794 4.7098 4.7558 4.8689 4.9283 5.0475 5.1204 5.1744 5.2378 5.3105 5.3577 5.3833 5.4588 5.5936 5.6875 5.7443 5.8316 5.9370 6.0365 6.1476 6.1613 6.3407 6.4298 6.4892 6.5135 6.5221 6.5857 6.6321 6.7287 6.7480 6.7757 6.8577 6.9225 7.0139 7.0393 7.1436 7.2105 7.2807 7.3326 7.4195 7.4974 7.6324 7.6925 7.7462 7.8168 7.8432 7.8698 7.9820 8.0176 8.1719 8.2728 8.4754 8.5413 8.5942 8.6144 10.1132 10.1679 10.2414 10.2736 10.5400 10.6101 11.8602 11.8871 12.3140 12.4793 12.4969 12.5873 12.7461 12.8239 12.9803 12.9971 13.1346 13.2018 13.6819 13.7205 k = 0.1389 0.1389-0.0000 ( 7569 PWs) bands (ev): -4.5706 -4.5703 -3.7252 -3.7241 -3.6237 -3.6209 -3.5477 -3.5460 0.1810 0.2186 0.4817 0.5199 0.6905 0.7570 0.8087 0.8238 4.1074 4.1239 4.2211 4.2542 4.2817 4.2980 4.5722 4.6111 4.6275 4.6853 4.7321 4.7681 4.8815 4.9408 5.0619 5.1088 5.1857 5.2272 5.3112 5.3619 5.3713 5.4599 5.6033 5.7002 5.7454 5.8316 5.9402 6.0440 6.1412 6.1557 6.3175 6.4118 6.4636 6.4883 6.5263 6.5811 6.6187 6.6832 6.7265 6.7508 6.8321 6.9051 6.9850 7.0089 7.1157 7.1748 7.2841 7.3299 7.4019 7.4781 7.6316 7.6908 7.7374 7.8081 7.8352 7.8604 7.9660 7.9968 8.1493 8.2558 8.4479 8.5176 8.5702 8.5837 10.1148 10.1632 10.2329 10.2655 10.4917 10.5620 11.8438 11.8649 12.3802 12.5305 12.5525 12.6352 12.7610 12.8558 13.0445 13.0607 13.2123 13.2864 13.7004 13.7461 k = 0.1250 0.1250-0.0000 ( 7581 PWs) bands (ev): -4.5871 -4.5868 -3.7135 -3.7124 -3.6227 -3.6201 -3.5530 -3.5514 0.2107 0.2498 0.4912 0.5237 0.6858 0.7448 0.8274 0.8443 4.1103 4.1308 4.2108 4.2458 4.2716 4.2937 4.6004 4.6339 4.6639 4.7019 4.7536 4.7811 4.8955 4.9538 5.0760 5.0943 5.1917 5.2263 5.3124 5.3598 5.3696 5.4650 5.6097 5.7089 5.7515 5.8334 5.9417 6.0488 6.1310 6.1508 6.2926 6.3775 6.4318 6.4545 6.5372 6.5809 6.6098 6.6469 6.7077 6.7315 6.8131 6.8897 6.9565 6.9838 7.0851 7.1384 7.2894 7.3286 7.3885 7.4601 7.6321 7.6906 7.7302 7.8012 7.8280 7.8531 7.9495 7.9761 8.1239 8.2363 8.4238 8.4910 8.5441 8.5543 10.1177 10.1601 10.2265 10.2607 10.4473 10.5188 11.8224 11.8404 12.4424 12.5728 12.5966 12.6679 12.7772 12.8777 13.1243 13.1436 13.2961 13.3730 13.7229 13.7762 k = 0.1111 0.1111-0.0000 ( 7581 PWs) bands (ev): -4.6020 -4.6017 -3.7020 -3.7010 -3.6219 -3.6195 -3.5586 -3.5572 0.2409 0.2816 0.4986 0.5250 0.6765 0.7300 0.8482 0.8654 4.1102 4.1341 4.1958 4.2283 4.2631 4.2896 4.6330 4.6609 4.6994 4.7287 4.7735 4.7933 4.9114 4.9688 5.0811 5.0911 5.1910 5.2356 5.3141 5.3535 5.3744 5.4710 5.6135 5.7135 5.7594 5.8366 5.9401 6.0435 6.1219 6.1474 6.2668 6.3363 6.4000 6.4095 6.5492 6.5849 6.6057 6.6242 6.6927 6.7166 6.7960 6.8752 6.9323 6.9622 7.0530 7.1020 7.2961 7.3285 7.3784 7.4434 7.6336 7.6913 7.7249 7.7961 7.8218 7.8475 7.9324 7.9555 8.0976 8.2147 8.4034 8.4641 8.5163 8.5244 10.1216 10.1590 10.2219 10.2589 10.4066 10.4805 11.7988 11.8150 12.4979 12.6075 12.6281 12.6890 12.7970 12.8946 13.2145 13.2366 13.3829 13.4590 13.7514 13.8122 k = 0.0972 0.0972-0.0000 ( 7579 PWs) bands (ev): -4.6152 -4.6150 -3.6906 -3.6897 -3.6211 -3.6190 -3.5647 -3.5635 0.2716 0.3139 0.5043 0.5244 0.6633 0.7128 0.8698 0.8859 4.1084 4.1339 4.1797 4.2084 4.2537 4.2835 4.6682 4.6910 4.7311 4.7599 4.7911 4.8044 4.9305 4.9881 5.0734 5.1071 5.1909 5.2478 5.3160 5.3492 5.3784 5.4751 5.6168 5.7148 5.7644 5.8398 5.9333 6.0212 6.1201 6.1447 6.2365 6.3039 6.3570 6.3724 6.5605 6.5912 6.6042 6.6133 6.6808 6.7043 6.7792 6.8594 6.9147 6.9443 7.0206 7.0664 7.3041 7.3296 7.3712 7.4281 7.6357 7.6919 7.7220 7.7929 7.8169 7.8429 7.9148 7.9343 8.0732 8.1916 8.3865 8.4387 8.4874 8.4937 10.1264 10.1599 10.2185 10.2594 10.3698 10.4467 11.7749 11.7898 12.5457 12.6349 12.6500 12.7021 12.8200 12.9084 13.3101 13.3330 13.4687 13.5404 13.7876 13.8555 k = 0.0833 0.0833-0.0000 ( 7583 PWs) bands (ev): -4.6267 -4.6266 -3.6794 -3.6786 -3.6205 -3.6186 -3.5713 -3.5702 0.3024 0.3465 0.5088 0.5226 0.6473 0.6934 0.8907 0.9050 4.1060 4.1310 4.1643 4.1887 4.2442 4.2750 4.7038 4.7223 4.7582 4.7867 4.8063 4.8140 4.9550 5.0139 5.0725 5.1256 5.1938 5.2596 5.3178 5.3472 5.3812 5.4748 5.6221 5.7136 5.7633 5.8403 5.9187 5.9862 6.1169 6.1427 6.2073 6.2856 6.3129 6.3444 6.5698 6.5983 6.6016 6.6124 6.6711 6.6936 6.7630 6.8405 6.9044 6.9311 6.9895 7.0329 7.3130 7.3319 7.3661 7.4142 7.6380 7.6916 7.7221 7.7913 7.8134 7.8390 7.8972 7.9117 8.0531 8.1676 8.3727 8.4157 8.4583 8.4629 10.1323 10.1627 10.2160 10.2620 10.3365 10.4173 11.7523 11.7657 12.5855 12.6552 12.6662 12.7095 12.8437 12.9197 13.4063 13.4283 13.5485 13.6114 13.8338 13.9076 k = 0.0694 0.0694-0.0000 ( 7587 PWs) bands (ev): -4.6366 -4.6364 -3.6685 -3.6678 -3.6200 -3.6184 -3.5782 -3.5772 0.3332 0.3793 0.5123 0.5199 0.6289 0.6719 0.9099 0.9220 4.1036 4.1260 4.1506 4.1703 4.2357 4.2652 4.7375 4.7524 4.7800 4.8032 4.8193 4.8216 4.9870 5.0463 5.0800 5.1462 5.1991 5.2694 5.3195 5.3471 5.3833 5.4689 5.6312 5.7106 5.7554 5.8345 5.8941 5.9447 6.1053 6.1339 6.1976 6.2738 6.2845 6.3201 6.5769 6.5995 6.6054 6.6151 6.6627 6.6834 6.7486 6.8188 6.9001 6.9227 6.9618 7.0023 7.3221 7.3353 7.3628 7.4018 7.6405 7.6900 7.7251 7.7915 7.8114 7.8353 7.8791 7.8882 8.0390 8.1437 8.3615 8.3956 8.4299 8.4333 10.1393 10.1672 10.2139 10.2662 10.3067 10.3916 11.7319 11.7436 12.6180 12.6691 12.6799 12.7133 12.8659 12.9285 13.4989 13.5186 13.6174 13.6677 13.8900 13.9671 k = 0.0556 0.0556-0.0000 ( 7583 PWs) bands (ev): -4.6446 -4.6445 -3.6579 -3.6572 -3.6196 -3.6182 -3.5855 -3.5847 0.3637 0.4120 0.5137 0.5179 0.6090 0.6484 0.9266 0.9364 4.1019 4.1203 4.1386 4.1539 4.2290 4.2549 4.7675 4.7790 4.7971 4.8119 4.8255 4.8293 5.0258 5.0821 5.0963 5.1677 5.2054 5.2761 5.3223 5.3486 5.3849 5.4572 5.6445 5.7070 5.7425 5.8197 5.8613 5.8993 6.0926 6.1162 6.2076 6.2627 6.2748 6.3001 6.5824 6.5989 6.6114 6.6177 6.6548 6.6721 6.7383 6.7963 6.8996 6.9182 6.9393 6.9755 7.3308 7.3399 7.3608 7.3907 7.6432 7.6872 7.7307 7.7933 7.8106 7.8315 7.8575 7.8680 8.0311 8.1204 8.3530 8.3785 8.4036 8.4066 10.1477 10.1728 10.2119 10.2710 10.2806 10.3693 11.7144 11.7242 12.6441 12.6788 12.6907 12.7146 12.8854 12.9348 13.5837 13.6002 13.6723 13.7089 13.9510 14.0254 k = 0.0417 0.0417-0.0000 ( 7575 PWs) bands (ev): -4.6509 -4.6508 -3.6475 -3.6470 -3.6192 -3.6182 -3.5931 -3.5926 0.3935 0.4445 0.5094 0.5205 0.5883 0.6232 0.9404 0.9478 4.1014 4.1151 4.1285 4.1396 4.2244 4.2452 4.7916 4.7995 4.8107 4.8170 4.8275 4.8345 5.0674 5.1123 5.1237 5.1867 5.2120 5.2785 5.3280 5.3517 5.3861 5.4406 5.6616 5.7039 5.7284 5.7959 5.8249 5.8523 6.0842 6.1000 6.2238 6.2584 6.2711 6.2847 6.5876 6.5996 6.6150 6.6197 6.6461 6.6588 6.7334 6.7756 6.9015 6.9160 6.9235 6.9529 7.3385 7.3453 7.3599 7.3809 7.6465 7.6832 7.7383 7.7968 7.8109 7.8268 7.8340 7.8524 8.0289 8.0987 8.3470 8.3646 8.3808 8.3840 10.1576 10.1791 10.2094 10.2552 10.2792 10.3500 11.7006 11.7081 12.6647 12.6865 12.6982 12.7139 12.9018 12.9383 13.6564 13.6692 13.7129 13.7375 14.0070 14.0674 k = 0.0278 0.0278-0.0000 ( 7561 PWs) bands (ev): -4.6554 -4.6553 -3.6375 -3.6372 -3.6189 -3.6182 -3.6012 -3.6008 0.4221 0.4765 0.5017 0.5246 0.5683 0.5963 0.9509 0.9558 4.1026 4.1114 4.1203 4.1277 4.2222 4.2367 4.8081 4.8126 4.8198 4.8216 4.8291 4.8375 5.1076 5.1369 5.1526 5.1953 5.2225 5.2756 5.3386 5.3573 5.3859 5.4204 5.6818 5.7034 5.7178 5.7681 5.7884 5.8080 6.0799 6.0892 6.2399 6.2583 6.2689 6.2739 6.5939 6.6021 6.6165 6.6208 6.6359 6.6440 6.7330 6.7591 6.9045 6.9136 6.9159 6.9348 7.3452 7.3507 7.3596 7.3723 7.6510 7.6779 7.7477 7.8016 7.8092 7.8125 7.8246 7.8390 8.0314 8.0792 8.3438 8.3542 8.3631 8.3663 10.1691 10.1856 10.2063 10.2338 10.2869 10.3334 11.6908 11.6959 12.6806 12.6928 12.7022 12.7116 12.9150 12.9392 13.7131 13.7216 13.7411 13.7559 14.0492 14.0879 k = 0.0139 0.0139-0.0000 ( 7531 PWs) bands (ev): -4.6581 -4.6581 -3.6278 -3.6276 -3.6186 -3.6183 -3.6096 -3.6094 0.4487 0.4896 0.5079 0.5302 0.5511 0.5680 0.9577 0.9602 4.1057 4.1098 4.1143 4.1181 4.2224 4.2298 4.8173 4.8191 4.8224 4.8234 4.8348 4.8395 5.1429 5.1580 5.1694 5.1887 5.2384 5.2674 5.3547 5.3657 5.3825 5.3979 5.7020 5.7110 5.7143 5.7439 5.7561 5.7693 6.0786 6.0830 6.2531 6.2597 6.2658 6.2674 6.6025 6.6070 6.6172 6.6205 6.6254 6.6287 6.7356 6.7478 6.9079 6.9114 6.9143 6.9214 7.3515 7.3551 7.3592 7.3647 7.6570 7.6713 7.7590 7.7892 7.8089 7.8144 7.8207 7.8273 8.0381 8.0623 8.3435 8.3479 8.3516 8.3540 10.1824 10.1918 10.2024 10.2146 10.2961 10.3190 11.6853 11.6879 12.6927 12.6979 12.7031 12.7076 12.9252 12.9373 13.7498 13.7539 13.7587 13.7652 14.0756 14.0935 k = 0.0000 0.0000 0.0000 ( 7521 PWs) bands (ev): -4.6590 -4.6590 -3.6185 -3.6185 -3.6185 -3.6185 -3.6184 -3.6184 0.4718 0.4718 0.5385 0.5385 0.5385 0.5385 0.9608 0.9608 4.1108 4.1108 4.1108 4.1108 4.2250 4.2250 4.8218 4.8218 4.8218 4.8218 4.8391 4.8391 5.1705 5.1705 5.1705 5.1705 5.2544 5.2544 5.3752 5.3752 5.3752 5.3752 5.7125 5.7125 5.7365 5.7365 5.7365 5.7365 6.0797 6.0797 6.2621 6.2621 6.2621 6.2621 6.6140 6.6140 6.6140 6.6140 6.6203 6.6203 6.7404 6.7404 6.9127 6.9127 6.9127 6.9127 7.3579 7.3579 7.3579 7.3579 7.6640 7.6640 7.7727 7.7727 7.8172 7.8172 7.8172 7.8172 8.0485 8.0485 8.3467 8.3467 8.3467 8.3467 10.1975 10.1975 10.1975 10.1975 10.3067 10.3067 11.6843 11.6843 12.7015 12.7015 12.7015 12.7015 12.9326 12.9326 13.7650 13.7650 13.7650 13.7650 14.0893 14.0893 k = 0.0000 0.0000 0.0000 ( 7521 PWs) bands (ev): -4.6590 -4.6590 -3.6185 -3.6185 -3.6185 -3.6185 -3.6184 -3.6184 0.4718 0.4718 0.5385 0.5385 0.5385 0.5385 0.9608 0.9608 4.1108 4.1108 4.1108 4.1108 4.2250 4.2250 4.8218 4.8218 4.8218 4.8218 4.8391 4.8391 5.1705 5.1705 5.1705 5.1705 5.2544 5.2544 5.3752 5.3752 5.3752 5.3752 5.7125 5.7125 5.7365 5.7365 5.7365 5.7365 6.0797 6.0797 6.2621 6.2621 6.2621 6.2621 6.6140 6.6140 6.6140 6.6140 6.6203 6.6203 6.7404 6.7404 6.9127 6.9127 6.9127 6.9127 7.3579 7.3579 7.3579 7.3579 7.6640 7.6640 7.7727 7.7727 7.8172 7.8172 7.8172 7.8172 8.0485 8.0485 8.3467 8.3467 8.3467 8.3467 10.1975 10.1975 10.1975 10.1975 10.3067 10.3067 11.6843 11.6843 12.7015 12.7015 12.7015 12.7015 12.9326 12.9326 13.7650 13.7650 13.7650 13.7650 14.0893 14.0893 k = 0.0116 0.0116 0.0116 ( 7533 PWs) bands (ev): -4.6581 -4.6580 -3.6279 -3.6279 -3.6187 -3.6185 -3.6093 -3.6092 0.4481 0.4900 0.5072 0.5297 0.5517 0.5686 0.9576 0.9601 4.1055 4.1098 4.1150 4.1180 4.2224 4.2300 4.8177 4.8185 4.8219 4.8237 4.8345 4.8395 5.1418 5.1606 5.1661 5.1895 5.2378 5.2677 5.3558 5.3629 5.3839 5.3983 5.7025 5.7071 5.7166 5.7495 5.7526 5.7695 6.0787 6.0831 6.2549 6.2576 6.2652 6.2682 6.6039 6.6048 6.6167 6.6217 6.6269 6.6275 6.7354 6.7481 6.9082 6.9122 6.9129 6.9219 7.3516 7.3552 7.3585 7.3652 7.6568 7.6715 7.7587 7.7897 7.8090 7.8140 7.8205 7.8278 8.0379 8.0627 8.3430 8.3488 8.3523 8.3535 10.1821 10.1917 10.2023 10.2152 10.2958 10.3194 11.6854 11.6880 12.6928 12.6972 12.7035 12.7076 12.9250 12.9374 13.7516 13.7549 13.7554 13.7641 14.0750 14.0935 k = 0.0233 0.0233 0.0233 ( 7569 PWs) bands (ev): -4.6552 -4.6552 -3.6376 -3.6375 -3.6191 -3.6188 -3.6005 -3.6003 0.4207 0.4750 0.5022 0.5238 0.5698 0.5974 0.9504 0.9554 4.1020 4.1119 4.1224 4.1268 4.2223 4.2370 4.8085 4.8135 4.8158 4.8243 4.8267 4.8378 5.1070 5.1369 5.1491 5.1954 5.2204 5.2765 5.3428 5.3493 5.3890 5.4206 5.6852 5.6971 5.7249 5.7793 5.7817 5.8039 6.0814 6.0890 6.2473 6.2518 6.2682 6.2733 6.5977 6.5979 6.6144 6.6236 6.6367 6.6435 6.7327 6.7606 6.9089 6.9124 6.9132 6.9354 7.3463 7.3502 7.3575 7.3737 7.6509 7.6781 7.7471 7.8034 7.8099 7.8114 7.8236 7.8404 8.0313 8.0802 8.3424 8.3587 8.3634 8.3649 10.1689 10.1852 10.2057 10.2354 10.2863 10.3343 11.6912 11.6964 12.6813 12.6904 12.7033 12.7113 12.9143 12.9393 13.7243 13.7262 13.7268 13.7488 14.0468 14.0871 k = 0.0349 0.0349 0.0349 ( 7569 PWs) bands (ev): -4.6505 -4.6504 -3.6475 -3.6473 -3.6199 -3.6194 -3.5921 -3.5918 0.3912 0.4421 0.5102 0.5194 0.5907 0.6246 0.9395 0.9469 4.1005 4.1167 4.1330 4.1370 4.2249 4.2457 4.7913 4.8012 4.8068 4.8174 4.8235 4.8349 5.0699 5.1033 5.1244 5.1878 5.2049 5.2807 5.3365 5.3376 5.3916 5.4357 5.6758 5.7010 5.7371 5.8122 5.8132 5.8379 6.0906 6.0989 6.2396 6.2468 6.2735 6.2779 6.5924 6.5958 6.6109 6.6244 6.6422 6.6610 6.7332 6.7797 6.9143 6.9146 6.9148 6.9527 7.3420 7.3433 7.3557 7.3834 7.6465 7.6831 7.7375 7.8007 7.8099 7.8232 7.8356 7.8550 8.0293 8.1006 8.3446 8.3756 8.3763 8.3834 10.1578 10.1784 10.2078 10.2582 10.2779 10.3517 11.7016 11.7090 12.6668 12.6804 12.7009 12.7126 12.9002 12.9383 13.6812 13.6814 13.6844 13.7200 13.9995 14.0633 k = 0.0465 0.0465 0.0465 ( 7595 PWs) bands (ev): -4.6439 -4.6438 -3.6574 -3.6572 -3.6209 -3.6203 -3.5840 -3.5838 0.3604 0.4086 0.5157 0.5158 0.6120 0.6501 0.9250 0.9348 4.1010 4.1240 4.1467 4.1482 4.2303 4.2555 4.7665 4.7794 4.7978 4.8049 4.8209 4.8282 5.0333 5.0668 5.0983 5.1704 5.1925 5.2810 5.3285 5.3339 5.3920 5.4386 5.6830 5.7135 5.7478 5.8371 5.8413 5.8706 6.1086 6.1135 6.2322 6.2468 6.2833 6.2844 6.5877 6.5972 6.6057 6.6228 6.6431 6.6792 6.7386 6.8039 6.9177 6.9214 6.9261 6.9730 7.3349 7.3387 7.3538 7.3944 7.6431 7.6864 7.7303 7.8010 7.8098 7.8243 7.8601 7.8713 8.0331 8.1235 8.3497 8.3922 8.3982 8.4061 10.1488 10.1719 10.2088 10.2704 10.2839 10.3721 11.7162 11.7256 12.6490 12.6666 12.6961 12.7116 12.8823 12.9343 13.6219 13.6233 13.6333 13.6791 13.9333 14.0115 k = 0.0581 0.0581 0.0581 ( 7589 PWs) bands (ev): -4.6354 -4.6353 -3.6675 -3.6672 -3.6221 -3.6214 -3.5764 -3.5762 0.3289 0.3748 0.5121 0.5200 0.6324 0.6735 0.9074 0.9194 4.1031 4.1332 4.1599 4.1632 4.2382 4.2658 4.7350 4.7517 4.7859 4.7868 4.8137 4.8161 4.9998 5.0358 5.0767 5.1477 5.1836 5.2783 5.3221 5.3319 5.3908 5.4292 5.7052 5.7306 5.7521 5.8498 5.8635 5.9013 6.1302 6.1317 6.2252 6.2604 6.2911 6.3043 6.5828 6.5983 6.6013 6.6182 6.6421 6.6974 6.7495 6.8291 6.9251 6.9356 6.9423 6.9956 7.3260 7.3365 7.3525 7.4067 7.6399 7.6884 7.7261 7.8047 7.8111 7.8239 7.8842 7.8891 8.0439 8.1485 8.3572 8.4108 8.4249 8.4317 10.1422 10.1660 10.2089 10.2639 10.3128 10.3957 11.7346 11.7453 12.6274 12.6483 12.6885 12.7081 12.8601 12.9269 13.5513 13.5561 13.5728 13.6279 13.8552 13.9347 k = 0.0698 0.0698 0.0698 ( 7595 PWs) bands (ev): -4.6251 -4.6249 -3.6776 -3.6771 -3.6236 -3.6227 -3.5694 -3.5691 0.2970 0.3409 0.5082 0.5231 0.6509 0.6947 0.8873 0.9012 4.1068 4.1437 4.1717 4.1822 4.2485 4.2756 4.6976 4.7187 4.7627 4.7708 4.7901 4.8085 4.9719 5.0157 5.0630 5.1233 5.1778 5.2733 5.3178 5.3284 5.3893 5.4120 5.7369 5.7438 5.7460 5.8563 5.8812 5.9298 6.1444 6.1504 6.2191 6.2958 6.3026 6.3346 6.5779 6.5889 6.6072 6.6119 6.6425 6.7156 6.7640 6.8515 6.9380 6.9593 6.9626 7.0195 7.3170 7.3353 7.3522 7.4204 7.6360 7.6895 7.7250 7.8119 7.8141 7.8225 7.9056 7.9083 8.0626 8.1748 8.3670 8.4319 8.4540 8.4585 10.1379 10.1612 10.2085 10.2583 10.3453 10.4227 11.7562 11.7674 12.6017 12.6246 12.6774 12.7022 12.8328 12.9157 13.4725 13.4830 13.5045 13.5686 13.7734 13.8480 k = 0.0814 0.0814 0.0814 ( 7577 PWs) bands (ev): -4.6130 -4.6127 -3.6876 -3.6871 -3.6253 -3.6243 -3.5628 -3.5625 0.2650 0.3069 0.5036 0.5250 0.6667 0.7135 0.8653 0.8805 4.1117 4.1549 4.1828 4.2027 4.2606 4.2839 4.6557 4.6804 4.7341 4.7520 4.7617 4.7975 4.9511 5.0066 5.0573 5.1000 5.1749 5.2667 5.3156 5.3225 5.3884 5.3913 5.7282 5.7415 5.7723 5.8698 5.8967 5.9563 6.1495 6.1677 6.2144 6.3184 6.3484 6.3718 6.5745 6.5793 6.6059 6.6147 6.6474 6.7336 6.7802 6.8710 6.9577 6.9860 6.9908 7.0439 7.3085 7.3353 7.3533 7.4354 7.6313 7.6901 7.7268 7.8190 7.8206 7.8226 7.9237 7.9287 8.0883 8.2018 8.3787 8.4553 8.4841 8.4853 10.1361 10.1577 10.2081 10.2540 10.3817 10.4534 11.7801 11.7909 12.5711 12.5949 12.6623 12.6935 12.7996 12.9005 13.3881 13.4073 13.4303 13.5033 13.6942 13.7615 k = 0.0930 0.0930 0.0930 ( 7586 PWs) bands (ev): -4.5990 -4.5988 -3.6975 -3.6969 -3.6272 -3.6261 -3.5568 -3.5566 0.2330 0.2730 0.4978 0.5256 0.6789 0.7296 0.8427 0.8581 4.1173 4.1659 4.1926 4.2235 4.2734 4.2900 4.6115 4.6370 4.7037 4.7301 4.7353 4.7831 4.9382 5.0048 5.0574 5.0797 5.1742 5.2596 5.3140 5.3153 5.3700 5.3884 5.6997 5.7207 5.8077 5.8950 5.9117 5.9812 6.1512 6.1839 6.2119 6.3384 6.4037 6.4084 6.5714 6.5756 6.6033 6.6236 6.6599 6.7517 6.7967 6.8902 6.9843 7.0111 7.0264 7.0681 7.3008 7.3365 7.3564 7.4519 7.6258 7.6904 7.7310 7.8186 7.8260 7.8370 7.9394 7.9501 8.1188 8.2287 8.3921 8.4804 8.5110 8.5137 10.1373 10.1560 10.2081 10.2511 10.4223 10.4882 11.8055 11.8143 12.5350 12.5589 12.6424 12.6819 12.7601 12.8808 13.3002 13.3315 13.3518 13.4343 13.6214 13.6806 k = 0.1047 0.1047 0.1047 ( 7580 PWs) bands (ev): -4.5834 -4.5831 -3.7073 -3.7066 -3.6293 -3.6280 -3.5514 -3.5512 0.2012 0.2394 0.4903 0.5243 0.6866 0.7429 0.8210 0.8344 4.1231 4.1756 4.2004 4.2416 4.2846 4.2935 4.5686 4.5916 4.6739 4.7057 4.7152 4.7659 4.9325 5.0067 5.0606 5.0638 5.1749 5.2529 5.3029 5.3165 5.3495 5.3889 5.6639 5.6890 5.8408 5.9265 5.9269 6.0049 6.1538 6.2000 6.2124 6.3619 6.4366 6.4463 6.5663 6.5794 6.6154 6.6344 6.6830 6.7700 6.8140 6.9118 7.0171 7.0367 7.0627 7.0915 7.2943 7.3390 7.3617 7.4699 7.6199 7.6904 7.7368 7.8170 7.8356 7.8545 7.9540 7.9723 8.1515 8.2548 8.4068 8.5069 8.5349 8.5420 10.1415 10.1564 10.2087 10.2499 10.4674 10.5274 11.8311 11.8359 12.4929 12.5170 12.6176 12.6670 12.7143 12.8567 13.2109 13.2576 13.2708 13.3637 13.5575 13.6080 k = 0.1163 0.1163 0.1163 ( 7553 PWs) bands (ev): -4.5660 -4.5657 -3.7169 -3.7160 -3.6315 -3.6301 -3.5467 -3.5465 0.1699 0.2063 0.4806 0.5202 0.6885 0.7531 0.8021 0.8104 4.1286 4.1830 4.2058 4.2515 4.2900 4.2958 4.5326 4.5499 4.6468 4.6800 4.7026 4.7474 4.9330 5.0102 5.0533 5.0643 5.1760 5.2472 5.2894 5.3179 5.3310 5.3880 5.6251 5.6546 5.8704 5.9415 5.9606 6.0273 6.1596 6.2166 6.2167 6.3878 6.4536 6.4677 6.5634 6.5781 6.6474 6.6537 6.7165 6.7887 6.8338 6.9382 7.0545 7.0618 7.0973 7.1138 7.2892 7.3429 7.3698 7.4892 7.6136 7.6903 7.7438 7.8164 7.8479 7.8748 7.9685 7.9952 8.1839 8.2792 8.4227 8.5344 8.5566 8.5684 10.1492 10.1589 10.2101 10.2507 10.5174 10.5710 11.8532 11.8554 12.4443 12.4701 12.5882 12.6480 12.6634 12.8280 13.1222 13.1871 13.1888 13.2933 13.5030 13.5450 k = 0.1279 0.1279 0.1279 ( 7553 PWs) bands (ev): -4.5470 -4.5467 -3.7262 -3.7252 -3.6338 -3.6323 -3.5426 -3.5425 0.1390 0.1736 0.4681 0.5124 0.6841 0.7602 0.7867 0.7878 4.1330 4.1869 4.2083 4.2477 4.2836 4.2963 4.5102 4.5196 4.6243 4.6540 4.6968 4.7288 4.9384 5.0146 5.0483 5.0661 5.1762 5.2433 5.2745 5.3146 5.3164 5.3822 5.5896 5.6252 5.8965 5.9570 5.9935 6.0479 6.1699 6.2255 6.2338 6.4148 6.4626 6.4747 6.5612 6.5750 6.6634 6.7037 6.7551 6.8079 6.8589 6.9707 7.0854 7.0949 7.1287 7.1349 7.2858 7.3481 7.3810 7.5102 7.6072 7.6898 7.7520 7.8176 7.8627 7.8971 7.9835 8.0183 8.2142 8.3011 8.4395 8.5624 8.5759 8.5926 10.1606 10.1639 10.2123 10.2537 10.5721 10.6193 11.8635 11.8764 12.3888 12.4192 12.5557 12.6107 12.6241 12.7944 13.0362 13.1079 13.1204 13.2247 13.4576 13.4910 k = 0.1395 0.1395 0.1395 ( 7547 PWs) bands (ev): -4.5265 -4.5261 -3.7352 -3.7342 -3.6363 -3.6347 -3.5392 -3.5391 0.1088 0.1416 0.4522 0.4996 0.6747 0.7639 0.7640 0.7778 4.1355 4.1862 4.2079 4.2314 4.2618 4.2879 4.5056 4.5084 4.6079 4.6287 4.6965 4.7113 4.9477 5.0197 5.0486 5.0640 5.1743 5.2412 5.2590 5.3009 5.3071 5.3677 5.5650 5.6085 5.9196 5.9736 6.0244 6.0663 6.1855 6.2389 6.2512 6.4416 6.4683 6.4757 6.5591 6.5722 6.6830 6.7503 6.7930 6.8275 6.8924 7.0094 7.1069 7.1364 7.1551 7.1563 7.2850 7.3545 7.3954 7.5328 7.6005 7.6888 7.7617 7.8215 7.8795 7.9203 7.9990 8.0414 8.2410 8.3197 8.4572 8.5905 8.5932 8.6147 10.1711 10.1762 10.2152 10.2592 10.6317 10.6723 11.8632 11.8915 12.3263 12.3638 12.5232 12.5623 12.5940 12.7544 12.9565 13.0302 13.0576 13.1588 13.4196 13.4446 k = 0.1512 0.1512 0.1512 ( 7571 PWs) bands (ev): -4.5043 -4.5039 -3.7439 -3.7427 -3.6388 -3.6371 -3.5365 -3.5365 0.0793 0.1104 0.4326 0.4810 0.6632 0.7427 0.7645 0.7702 4.1356 4.1797 4.2047 4.2050 4.2282 4.2686 4.5149 4.5173 4.5992 4.6048 4.6955 4.6996 4.9598 5.0255 5.0538 5.0558 5.1688 5.2412 5.2441 5.2869 5.2901 5.3439 5.5577 5.6085 5.9407 5.9917 6.0529 6.0824 6.2061 6.2564 6.2683 6.4671 6.4738 6.4746 6.5570 6.5707 6.7063 6.7871 6.8268 6.8476 6.9347 7.0525 7.1261 7.1744 7.1761 7.1802 7.2887 7.3621 7.4129 7.5573 7.5936 7.6869 7.7735 7.8290 7.8977 7.9433 8.0148 8.0638 8.2631 8.3345 8.4758 8.6090 8.6182 8.6348 10.1801 10.1963 10.2186 10.2675 10.6959 10.7299 11.8499 11.8978 12.2573 12.3018 12.4944 12.5262 12.5563 12.7058 12.8870 12.9577 12.9985 13.0963 13.3871 13.4039 k = 0.1628 0.1628 0.1628 ( 7565 PWs) bands (ev): -4.4808 -4.4803 -3.7521 -3.7509 -3.6413 -3.6396 -3.5346 -3.5346 0.0506 0.0801 0.4092 0.4563 0.6519 0.7232 0.7615 0.7629 4.1328 4.1637 4.1701 4.1924 4.1989 4.2442 4.5301 4.5398 4.5831 4.6006 4.6816 4.7043 4.9731 5.0313 5.0397 5.0630 5.1571 5.2312 5.2421 5.2608 5.2832 5.3170 5.5680 5.6233 5.9606 6.0120 6.0800 6.0966 6.2310 6.2771 6.2846 6.4725 6.4806 6.4907 6.5555 6.5710 6.7332 6.8153 6.8560 6.8683 6.9813 7.0962 7.1433 7.1930 7.2013 7.2084 7.3010 7.3706 7.4328 7.5838 7.5866 7.6842 7.7881 7.8407 7.9163 7.9652 8.0307 8.0849 8.2800 8.3449 8.4955 8.6241 8.6453 8.6534 10.1900 10.2210 10.2218 10.2794 10.7643 10.7916 11.8229 11.8930 12.1823 12.2311 12.4722 12.5085 12.5097 12.6482 12.8308 12.8926 12.9423 13.0372 13.3581 13.3664 k = 0.1744 0.1744 0.1744 ( 7571 PWs) bands (ev): -4.4558 -4.4553 -3.7600 -3.7587 -3.6439 -3.6421 -3.5334 -3.5333 0.0229 0.0507 0.3822 0.4263 0.6419 0.7055 0.7543 0.7552 4.1269 4.1297 4.1300 4.1675 4.1910 4.2191 4.5436 4.5644 4.5689 4.6139 4.6694 4.7090 4.9859 5.0144 5.0343 5.0745 5.1368 5.2222 5.2400 5.2408 5.2814 5.2981 5.5912 5.6490 5.9801 6.0347 6.1067 6.1097 6.2591 6.2998 6.2999 6.4699 6.4893 6.5124 6.5551 6.5735 6.7624 6.8386 6.8811 6.8896 7.0272 7.1363 7.1588 7.2113 7.2212 7.2277 7.3259 7.3798 7.4543 7.5800 7.6125 7.6808 7.8058 7.8568 7.9342 7.9850 8.0463 8.1040 8.2918 8.3512 8.5163 8.6391 8.6708 8.6714 10.1992 10.2242 10.2507 10.2961 10.8361 10.8569 11.7842 11.8760 12.1023 12.1522 12.4539 12.4541 12.5097 12.5888 12.7862 12.8359 12.8885 12.9815 13.3306 13.3309 k = 0.1860 0.1860 0.1860 ( 7571 PWs) bands (ev): -4.4296 -4.4290 -3.7673 -3.7659 -3.6465 -3.6446 -3.5330 -3.5328 -0.0037 0.0224 0.3518 0.3921 0.6329 0.6892 0.7437 0.7454 4.0868 4.0873 4.1183 4.1483 4.1811 4.1949 4.5490 4.5532 4.5989 4.6364 4.6587 4.7131 4.9813 4.9964 5.0273 5.0848 5.1144 5.2206 5.2291 5.2345 5.2861 5.2971 5.6227 5.6818 5.9998 6.0602 6.1225 6.1344 6.2892 6.3138 6.3237 6.4668 6.4992 6.5324 6.5569 6.5785 6.7924 6.8590 6.9030 6.9118 7.0696 7.1686 7.1734 7.2293 7.2360 7.2419 7.3587 7.3898 7.4759 7.5746 7.6434 7.6772 7.8267 7.8771 7.9505 8.0022 8.0611 8.1201 8.2993 8.3539 8.5382 8.6544 8.6871 8.6963 10.2058 10.2252 10.2853 10.3187 10.9103 10.9249 11.7377 11.8482 12.0185 12.0677 12.3899 12.4245 12.5261 12.5479 12.7493 12.7873 12.8364 12.9288 13.2951 13.3043 k = 0.1977 0.1977 0.1977 ( 7583 PWs) bands (ev): -4.4021 -4.4015 -3.7742 -3.7727 -3.6491 -3.6471 -3.5333 -3.5330 -0.0293 -0.0047 0.3189 0.3549 0.6242 0.6738 0.7306 0.7323 4.0437 4.0440 4.1074 4.1291 4.1693 4.1719 4.5374 4.5605 4.6239 4.6494 4.6606 4.7171 4.9455 5.0031 5.0049 5.0897 5.1020 5.2136 5.2302 5.2414 5.2984 5.3108 5.6593 5.7192 6.0201 6.0885 6.1356 6.1639 6.3207 6.3264 6.3481 6.4635 6.5090 6.5512 6.5627 6.5861 6.8211 6.8776 6.9223 6.9350 7.1075 7.1878 7.1913 7.2390 7.2472 7.2648 7.3908 7.4004 7.4961 7.5719 7.6745 7.6765 7.8502 7.9005 7.9644 8.0164 8.0745 8.1326 8.3039 8.3542 8.5613 8.6702 8.7023 8.7199 10.2085 10.2239 10.3248 10.3478 10.9854 10.9942 11.6869 11.8128 11.9321 11.9805 12.3202 12.3684 12.5418 12.5531 12.7171 12.7453 12.7856 12.8786 13.2600 13.2778 k = 0.2093 0.2093 0.2093 ( 7580 PWs) bands (ev): -4.3736 -4.3729 -3.7805 -3.7789 -3.6516 -3.6496 -3.5344 -3.5340 -0.0536 -0.0306 0.2839 0.3158 0.6151 0.6588 0.7148 0.7161 4.0020 4.0022 4.0949 4.1096 4.1502 4.1560 4.5294 4.5662 4.6362 4.6413 4.6775 4.7223 4.9165 4.9789 5.0057 5.0872 5.0971 5.1987 5.2523 5.2594 5.3184 5.3331 5.6989 5.7596 6.0413 6.1198 6.1495 6.1956 6.3377 6.3532 6.3727 6.4601 6.5168 6.5693 6.5743 6.5961 6.8469 6.8947 6.9392 6.9589 7.1405 7.2027 7.2051 7.2399 7.2651 7.2888 7.4118 7.4160 7.5130 7.5744 7.6736 7.7116 7.8742 7.9253 7.9757 8.0278 8.0858 8.1412 8.3081 8.3540 8.5853 8.6866 8.7165 8.7419 10.2062 10.2195 10.3686 10.3833 11.0595 11.0633 11.6347 11.7733 11.8445 11.8930 12.2478 12.2985 12.5566 12.5862 12.6881 12.7079 12.7364 12.8307 13.2260 13.2519 k = 0.2209 0.2209 0.2209 ( 7574 PWs) bands (ev): -4.3440 -4.3433 -3.7862 -3.7846 -3.6541 -3.6520 -3.5362 -3.5356 -0.0766 -0.0551 0.2476 0.2756 0.6049 0.6435 0.6964 0.6967 3.9626 3.9630 4.0813 4.0901 4.1298 4.1413 4.5249 4.5695 4.6305 4.6343 4.6775 4.7271 4.9062 4.9648 5.0044 5.0789 5.0936 5.1853 5.2843 5.2865 5.3456 5.3613 5.7402 5.8016 6.0637 6.1537 6.1645 6.2297 6.3481 6.3864 6.3973 6.4569 6.5222 6.5872 6.5918 6.6086 6.8690 6.9100 6.9541 6.9824 7.1673 7.2126 7.2186 7.2415 7.2834 7.3120 7.4243 7.4308 7.5253 7.5843 7.6756 7.7484 7.8951 7.9493 7.9858 8.0367 8.0938 8.1458 8.3147 8.3553 8.6095 8.7032 8.7292 8.7624 10.1987 10.2114 10.4162 10.4244 11.1298 11.1300 11.5826 11.7324 11.7572 11.8073 12.1758 12.2263 12.5776 12.6188 12.6630 12.6731 12.6918 12.7849 13.1953 13.2278 k = 0.2326 0.2326 0.2326 ( 7583 PWs) bands (ev): -4.3136 -4.3129 -3.7913 -3.7896 -3.6565 -3.6544 -3.5387 -3.5380 -0.0983 -0.0782 0.2106 0.2352 0.5931 0.6274 0.6745 0.6753 3.9261 3.9267 4.0671 4.0711 4.1108 4.1256 4.5238 4.5661 4.6070 4.6286 4.6612 4.7280 4.9190 4.9695 4.9999 5.0675 5.0905 5.1736 5.3202 5.3229 5.3790 5.3939 5.7822 5.8443 6.0874 6.1810 6.1901 6.2660 6.3576 6.4196 6.4220 6.4550 6.5263 6.6052 6.6138 6.6233 6.8874 6.9234 6.9674 7.0042 7.1847 7.2152 7.2353 7.2479 7.3023 7.3332 7.4355 7.4385 7.5325 7.6012 7.6809 7.7865 7.9078 7.9708 7.9972 8.0437 8.0974 8.1469 8.3267 8.3599 8.6334 8.7196 8.7404 8.7810 10.1858 10.1990 10.4662 10.4701 11.1909 11.1935 11.5306 11.6719 11.6918 11.7257 12.1077 12.1565 12.5909 12.6187 12.6392 12.6485 12.6811 12.7414 13.1708 13.2074 k = 0.2442 0.2442 0.2442 ( 7583 PWs) bands (ev): -4.2824 -4.2816 -3.7958 -3.7940 -3.6588 -3.6567 -3.5419 -3.5411 -0.1185 -0.0998 0.1734 0.1949 0.5794 0.6101 0.6496 0.6518 3.8930 3.8939 4.0527 4.0529 4.0931 4.1094 4.5257 4.5471 4.5694 4.6242 4.6452 4.7258 4.9474 4.9884 4.9932 5.0546 5.0903 5.1641 5.3583 5.3653 5.4172 5.4300 5.8243 5.8870 6.1126 6.1990 6.2284 6.3035 6.3666 6.4450 6.4467 6.4627 6.5302 6.6235 6.6387 6.6401 6.9025 6.9346 6.9795 7.0230 7.1899 7.2138 7.2521 7.2620 7.3221 7.3519 7.4334 7.4548 7.5353 7.6226 7.6888 7.8252 7.9094 7.9890 8.0111 8.0500 8.0959 8.1453 8.3458 8.3695 8.6563 8.7354 8.7498 8.7978 10.1679 10.1824 10.5169 10.5187 11.2430 11.2454 11.4777 11.5906 11.6504 11.6519 12.0475 12.0923 12.5768 12.5810 12.6050 12.6568 12.7004 12.7113 13.1557 13.1935 k = 0.2558 0.2558 0.2558 ( 7601 PWs) bands (ev): -4.2506 -4.2497 -3.7996 -3.7978 -3.6610 -3.6589 -3.5458 -3.5449 -0.1371 -0.1198 0.1366 0.1553 0.5632 0.5913 0.6222 0.6261 3.8634 3.8646 4.0358 4.0382 4.0767 4.0929 4.5094 4.5229 4.5303 4.6212 4.6415 4.7229 4.9821 4.9849 5.0088 5.0412 5.0997 5.1583 5.3992 5.4098 5.4590 5.4686 5.8660 5.9291 6.1392 6.2189 6.2679 6.3407 6.3752 6.4497 6.4716 6.4942 6.5347 6.6421 6.6589 6.6652 6.9149 6.9432 6.9909 7.0381 7.1868 7.2093 7.2676 7.2799 7.3424 7.3671 7.4284 7.4739 7.5357 7.6459 7.6978 7.8631 7.9016 8.0039 8.0257 8.0568 8.0904 8.1425 8.3714 8.3845 8.6775 8.7500 8.7571 8.8125 10.1453 10.1615 10.5655 10.5680 11.2802 11.2813 11.4231 11.5162 11.5828 11.6122 11.9999 12.0369 12.5292 12.5579 12.5693 12.6621 12.6765 12.7453 13.1523 13.1883 k = 0.2674 0.2674 0.2674 ( 7601 PWs) bands (ev): -4.2183 -4.2174 -3.8028 -3.8009 -3.6631 -3.6610 -3.5503 -3.5494 -0.1542 -0.1381 0.1004 0.1167 0.5444 0.5706 0.5926 0.5985 3.8377 3.8392 4.0197 4.0237 4.0615 4.0765 4.4614 4.4720 4.5375 4.6199 4.6465 4.7209 4.9758 5.0150 5.0184 5.0278 5.1263 5.1594 5.4414 5.4548 5.5032 5.5088 5.9068 5.9701 6.1672 6.2408 6.3075 6.3736 6.3841 6.4562 6.4967 6.5298 6.5401 6.6611 6.6798 6.6922 6.9252 6.9488 7.0020 7.0495 7.1807 7.2025 7.2811 7.2954 7.3624 7.3776 7.4247 7.4965 7.5365 7.6687 7.7062 7.8886 7.8985 8.0158 8.0389 8.0657 8.0835 8.1406 8.4015 8.4045 8.6964 8.7623 8.7630 8.8250 10.1190 10.1368 10.6079 10.6147 11.2933 11.3013 11.3682 11.4517 11.5225 11.5706 11.9690 11.9937 12.4809 12.5315 12.5316 12.6267 12.6990 12.7783 13.1610 13.1934 k = 0.2791 0.2791 0.2791 ( 7598 PWs) bands (ev): -4.1857 -4.1847 -3.8052 -3.8033 -3.6651 -3.6630 -3.5556 -3.5545 -0.1696 -0.1547 0.0655 0.0796 0.5228 0.5478 0.5611 0.5694 3.8160 3.8178 4.0048 4.0095 4.0473 4.0603 4.4099 4.4195 4.5470 4.6204 4.6558 4.7203 4.9662 5.0148 5.0175 5.0383 5.1673 5.1732 5.4841 5.4994 5.5490 5.5497 5.9463 6.0096 6.1964 6.2646 6.3444 6.3953 6.3962 6.4728 6.5221 6.5464 6.5656 6.6804 6.7028 6.7188 6.9338 6.9508 7.0132 7.0574 7.1750 7.1942 7.2922 7.3032 7.3807 7.3818 7.4265 7.5226 7.5402 7.6885 7.7126 7.8750 7.9294 8.0238 8.0505 8.0772 8.0799 8.1433 8.4280 8.4337 8.7126 8.7653 8.7738 8.8352 10.0898 10.1090 10.6386 10.6537 11.2839 11.3000 11.3170 11.4000 11.4673 11.5235 11.9564 11.9658 12.4328 12.4922 12.5047 12.5936 12.7247 12.8115 13.1800 13.2082 k = 0.2907 0.2907 0.2907 ( 7598 PWs) bands (ev): -4.1529 -4.1519 -3.8069 -3.8050 -3.6670 -3.6649 -3.5614 -3.5603 -0.1832 -0.1695 0.0320 0.0441 0.4981 0.5229 0.5279 0.5389 3.7984 3.8003 3.9909 3.9955 4.0340 4.0445 4.3582 4.3674 4.5586 4.6226 4.6679 4.7216 4.9567 5.0022 5.0116 5.0477 5.2028 5.2156 5.5264 5.5427 5.5908 5.5953 5.9840 6.0469 6.2265 6.2905 6.3718 6.4068 6.4145 6.4998 6.5477 6.5536 6.6001 6.6998 6.7289 6.7443 6.9411 6.9491 7.0248 7.0621 7.1723 7.1856 7.2998 7.3011 7.3789 7.3961 7.4369 7.5483 7.5519 7.7015 7.7161 7.8664 7.9546 8.0259 8.0614 8.0852 8.0890 8.1562 8.4532 8.4658 8.7259 8.7661 8.7821 8.8429 10.0589 10.0789 10.6515 10.6787 11.2549 11.2743 11.2776 11.3654 11.4161 11.4673 11.9536 11.9593 12.3854 12.4513 12.4783 12.5622 12.7562 12.8478 13.2066 13.2307 k = 0.3023 0.3023 0.3023 ( 7601 PWs) bands (ev): -4.1201 -4.1191 -3.8080 -3.8059 -3.6688 -3.6667 -3.5678 -3.5666 -0.1951 -0.1824 0.0002 0.0107 0.4705 0.4933 0.4958 0.5075 3.7847 3.7868 3.9780 3.9818 4.0216 4.0291 4.3079 4.3166 4.5720 4.6268 4.6819 4.7248 4.9474 4.9902 5.0037 5.0469 5.2437 5.2674 5.5678 5.5841 5.6314 5.6412 6.0192 6.0816 6.2572 6.3180 6.3861 6.4113 6.4442 6.5304 6.5614 6.5734 6.6305 6.7193 6.7595 6.7687 6.9443 6.9473 7.0364 7.0639 7.1740 7.1780 7.2862 7.3083 7.3695 7.4077 7.4548 7.5604 7.5835 7.7040 7.7171 7.8686 7.9744 8.0239 8.0731 8.0993 8.1001 8.1826 8.4785 8.4958 8.7361 8.7649 8.7878 8.8481 10.0273 10.0476 10.6421 10.6827 11.2070 11.2373 11.2397 11.3557 11.3737 11.3999 11.9540 11.9721 12.3391 12.4098 12.4529 12.5316 12.7958 12.8903 13.2375 13.2582 k = 0.3140 0.3140 0.3140 ( 7607 PWs) bands (ev): -4.0875 -4.0864 -3.8083 -3.8062 -3.6706 -3.6684 -3.5748 -3.5735 -0.2051 -0.1934 -0.0294 -0.0205 0.4401 0.4575 0.4665 0.4752 3.7751 3.7772 3.9662 3.9685 4.0098 4.0143 4.2596 4.2679 4.5870 4.6329 4.6977 4.7300 4.9386 4.9790 4.9951 5.0409 5.2905 5.3208 5.6079 5.6234 5.6711 5.6861 6.0514 6.1127 6.2881 6.3467 6.3945 6.4141 6.4755 6.5593 6.5695 6.5993 6.6534 6.7385 6.7926 6.7963 6.9381 6.9525 7.0470 7.0628 7.1721 7.1800 7.2658 7.3146 7.3558 7.4154 7.4769 7.5742 7.6170 7.6963 7.7173 7.8834 7.9907 8.0227 8.0868 8.1110 8.1217 8.2194 8.5025 8.5223 8.7432 8.7623 8.7907 8.8508 9.9960 10.0157 10.6105 10.6625 11.1432 11.1829 11.1992 11.3216 11.3555 11.3722 11.9620 11.9890 12.2941 12.3682 12.4283 12.5013 12.8447 12.9409 13.2702 13.2879 k = 0.3256 0.3256 0.3256 ( 7595 PWs) bands (ev): -4.0553 -4.0541 -3.8078 -3.8058 -3.6722 -3.6701 -3.5823 -3.5809 -0.2132 -0.2024 -0.0567 -0.0492 0.4074 0.4209 0.4352 0.4419 3.7692 3.7713 3.9552 3.9557 3.9985 3.9999 4.2138 4.2217 4.6032 4.6409 4.7149 4.7374 4.9305 4.9684 4.9865 5.0325 5.3402 5.3749 5.6465 5.6605 5.7097 5.7294 6.0797 6.1393 6.3186 6.3756 6.4012 6.4168 6.5023 6.5775 6.5836 6.6252 6.6671 6.7572 6.8172 6.8382 6.9340 6.9569 7.0557 7.0588 7.1681 7.1868 7.2441 7.3205 7.3407 7.4193 7.4992 7.5854 7.6520 7.6845 7.7206 7.9083 8.0052 8.0258 8.1032 8.1278 8.1475 8.2623 8.5243 8.5442 8.7474 8.7587 8.7909 8.8510 9.9658 9.9842 10.5608 10.6206 11.0692 11.1177 11.1397 11.2341 11.3711 11.4083 11.9731 12.0057 12.2509 12.3272 12.4042 12.4705 12.9026 13.0000 13.3032 13.3180 k = 0.3372 0.3372 0.3372 ( 7595 PWs) bands (ev): -4.0236 -4.0223 -3.8067 -3.8046 -3.6738 -3.6717 -3.5902 -3.5888 -0.2192 -0.2094 -0.0814 -0.0752 0.3730 0.3836 0.4019 0.4074 3.7669 3.7689 3.9435 3.9451 3.9861 3.9877 4.1709 4.1783 4.6203 4.6505 4.7333 4.7468 4.9233 4.9588 4.9780 5.0232 5.3913 5.4293 5.6834 5.6955 5.7468 5.7706 6.1032 6.1606 6.3482 6.4038 6.4075 6.4204 6.5219 6.5853 6.6014 6.6510 6.6732 6.7752 6.8432 6.8772 6.9395 6.9604 7.0518 7.0618 7.1651 7.1811 7.2353 7.3269 7.3277 7.4198 7.5165 7.5889 7.6775 7.6888 7.7322 7.9406 8.0195 8.0349 8.1225 8.1509 8.1760 8.3082 8.5434 8.5606 8.7489 8.7551 8.7887 8.8488 9.9371 9.9539 10.4986 10.5629 10.9886 11.0439 11.0645 11.1394 11.4108 11.4569 11.9846 12.0197 12.2097 12.2872 12.3798 12.4389 12.9679 13.0662 13.3352 13.3474 k = 0.3488 0.3488 0.3488 ( 7607 PWs) bands (ev): -3.9926 -3.9913 -3.8048 -3.8027 -3.6754 -3.6733 -3.5986 -3.5971 -0.2233 -0.2143 -0.1034 -0.0984 0.3375 0.3460 0.3670 0.3719 3.7680 3.7698 3.9318 3.9357 3.9728 3.9772 4.1311 4.1379 4.6379 4.6617 4.7527 4.7581 4.9171 4.9500 4.9698 5.0134 5.4429 5.4834 5.7187 5.7284 5.7825 5.8096 6.1213 6.1756 6.3761 6.4137 6.4247 6.4300 6.5338 6.5922 6.6101 6.6761 6.6765 6.7924 6.8703 6.8960 6.9629 6.9687 7.0419 7.0649 7.1574 7.1620 7.2464 7.3199 7.3344 7.4179 7.5225 7.5825 7.6846 7.7275 7.7546 7.9786 8.0355 8.0513 8.1441 8.1800 8.2058 8.3552 8.5598 8.5708 8.7481 8.7522 8.7844 8.8445 9.9106 9.9253 10.4284 10.4950 10.9036 10.9630 10.9796 11.0396 11.4634 11.5120 11.9950 12.0298 12.1708 12.2488 12.3546 12.4062 13.0377 13.1366 13.3662 13.3759 k = 0.3605 0.3605 0.3605 ( 7601 PWs) bands (ev): -3.9625 -3.9612 -3.8023 -3.8001 -3.6770 -3.6749 -3.6074 -3.6058 -0.2254 -0.2170 -0.1224 -0.1184 0.3014 0.3083 0.3307 0.3352 3.7721 3.7735 3.9209 3.9272 3.9600 3.9670 4.0944 4.1006 4.6555 4.6741 4.7712 4.7728 4.9120 4.9422 4.9623 5.0037 5.4945 5.5370 5.7524 5.7595 5.8168 5.8464 6.1333 6.1840 6.4011 6.4196 6.4291 6.4533 6.5396 6.5971 6.6087 6.6795 6.7018 6.8085 6.8963 6.9000 6.9644 7.0088 7.0292 7.0635 7.1327 7.1609 7.2650 7.3190 7.3434 7.4148 7.5157 7.5688 7.7092 7.7683 7.7860 8.0218 8.0545 8.0754 8.1670 8.2137 8.2359 8.4019 8.5737 8.5750 8.7456 8.7504 8.7783 8.8382 9.8865 9.8989 10.3538 10.4210 10.8156 10.8761 10.8883 10.9367 11.5220 11.5696 12.0039 12.0356 12.1347 12.2127 12.3279 12.3724 13.1080 13.2060 13.3959 13.4042 k = 0.3721 0.3721 0.3721 ( 7607 PWs) bands (ev): -3.9336 -3.9322 -3.7990 -3.7969 -3.6787 -3.6765 -3.6165 -3.6148 -0.2253 -0.2176 -0.1382 -0.1352 0.2650 0.2708 0.2933 0.2976 3.7787 3.7797 3.9108 3.9194 3.9478 3.9571 4.0609 4.0665 4.6727 4.6873 4.7857 4.7932 4.9082 4.9355 4.9553 4.9942 5.5460 5.5898 5.7847 5.7892 5.8498 5.8809 6.1392 6.1857 6.4220 6.4246 6.4328 6.4729 6.5420 6.5985 6.6001 6.6832 6.7265 6.8235 6.9005 6.9182 6.9646 7.0145 7.0289 7.0547 7.1302 7.1676 7.2856 7.3243 7.3540 7.4117 7.5013 7.5512 7.7477 7.8113 7.8233 8.0700 8.0775 8.1072 8.1898 8.2506 8.2652 8.4473 8.5742 8.5856 8.7418 8.7496 8.7709 8.8303 9.8648 9.8752 10.2772 10.3437 10.7255 10.7834 10.7927 10.8327 11.5822 11.6268 12.0112 12.0372 12.1016 12.1794 12.2997 12.3376 13.1737 13.2675 13.4242 13.4333 k = 0.3837 0.3837 0.3837 ( 7601 PWs) bands (ev): -3.9059 -3.9044 -3.7951 -3.7929 -3.6804 -3.6783 -3.6259 -3.6242 -0.2231 -0.2161 -0.1507 -0.1486 0.2286 0.2335 0.2551 0.2594 3.7874 3.7879 3.9015 3.9122 3.9363 3.9473 4.0308 4.0358 4.6892 4.7008 4.8015 4.8136 4.9058 4.9301 4.9490 4.9851 5.5971 5.6416 5.8160 5.8177 5.8814 5.9134 6.1392 6.1811 6.4279 6.4345 6.4374 6.4884 6.5431 6.5885 6.5956 6.6840 6.7506 6.8374 6.8998 6.9336 6.9635 6.9985 7.0148 7.0382 7.1621 7.1857 7.3065 7.3342 7.3659 7.4099 7.4848 7.5324 7.7955 7.8564 7.8645 8.1045 8.1227 8.1459 8.2114 8.2895 8.2926 8.4903 8.5702 8.5961 8.7376 8.7493 8.7627 8.8213 9.8458 9.8545 10.2005 10.2654 10.6340 10.6855 10.6946 10.7296 11.6413 11.6816 12.0171 12.0346 12.0717 12.1497 12.2699 12.3018 13.2302 13.3152 13.4488 13.4618 k = 0.3953 0.3953 0.3953 ( 7592 PWs) bands (ev): -3.8797 -3.8782 -3.7905 -3.7883 -3.6824 -3.6803 -3.6355 -3.6338 -0.2188 -0.2124 -0.1599 -0.1586 0.1925 0.1968 0.2166 0.2209 3.7975 3.7977 3.8932 3.9056 3.9254 3.9377 4.0041 4.0085 4.7046 4.7140 4.8180 4.8335 4.9048 4.9259 4.9434 4.9764 5.6476 5.6921 5.8453 5.8464 5.9116 5.9440 6.1340 6.1712 6.4291 6.4338 6.4463 6.4997 6.5437 6.5764 6.5881 6.6798 6.7738 6.8501 6.8985 6.9421 6.9611 6.9823 6.9896 7.0175 7.2055 7.2129 7.3268 7.3469 7.3782 7.4103 7.4695 7.5144 7.8497 7.9032 7.9082 8.1349 8.1790 8.1892 8.2304 8.3179 8.3296 8.5298 8.5655 8.6062 8.7338 8.7486 8.7541 8.8116 9.8294 9.8371 10.1256 10.1880 10.5417 10.5836 10.5955 10.6283 11.6977 11.7327 12.0218 12.0283 12.0453 12.1244 12.2388 12.2655 13.2746 13.3480 13.4649 13.4838 k = 0.4070 0.4070 0.4070 ( 7592 PWs) bands (ev): -3.8551 -3.8535 -3.7853 -3.7831 -3.6846 -3.6825 -3.6454 -3.6436 -0.2123 -0.2064 -0.1655 -0.1649 0.1571 0.1609 0.1781 0.1824 3.8080 3.8090 3.8858 3.8996 3.9152 3.9280 3.9810 3.9849 4.7187 4.7263 4.8349 4.8526 4.9051 4.9232 4.9386 4.9684 5.6974 5.7409 5.8723 5.8762 5.9403 5.9726 6.1249 6.1571 6.4286 6.4310 6.4485 6.5065 6.5424 6.5640 6.5770 6.6688 6.7959 6.8616 6.8967 6.9449 6.9575 6.9661 6.9670 6.9961 7.2448 7.2485 7.3459 7.3614 7.3900 7.4139 7.4571 7.4982 7.9084 7.9513 7.9541 8.1670 8.2329 8.2349 8.2490 8.3422 8.3705 8.5627 8.5647 8.6166 8.7315 8.7454 8.7469 8.8016 9.8156 9.8232 10.0539 10.1131 10.4494 10.4801 10.4968 10.5288 11.7501 11.7794 12.0188 12.0228 12.0254 12.1037 12.2069 12.2290 13.3073 13.3693 13.4673 13.4938 k = 0.4186 0.4186 0.4186 ( 7586 PWs) bands (ev): -3.8323 -3.8305 -3.7794 -3.7773 -3.6871 -3.6850 -3.6553 -3.6535 -0.2037 -0.1983 -0.1676 -0.1675 0.1224 0.1259 0.1400 0.1442 3.8189 3.8208 3.8794 3.8939 3.9058 3.9180 3.9615 3.9651 4.7312 4.7371 4.8517 4.8703 4.9068 4.9219 4.9345 4.9609 5.7460 5.7872 5.8989 5.9057 5.9673 5.9992 6.1133 6.1401 6.4269 6.4270 6.4447 6.5082 6.5352 6.5507 6.5656 6.6506 6.8167 6.8718 6.8951 6.9433 6.9478 6.9514 6.9550 6.9767 7.2776 7.2874 7.3636 7.3769 7.4004 7.4208 7.4485 7.4844 7.9694 8.0001 8.0017 8.1985 8.2545 8.2688 8.3007 8.3706 8.4125 8.5638 8.5939 8.6278 8.7314 8.7369 8.7438 8.7917 9.8044 9.8130 9.9874 10.0429 10.3578 10.3776 10.4000 10.4310 11.7978 11.8214 12.0041 12.0076 12.0278 12.0871 12.1748 12.1929 13.3306 13.3832 13.4579 13.4914 k = 0.4302 0.4302 0.4302 ( 7583 PWs) bands (ev): -3.8112 -3.8094 -3.7730 -3.7708 -3.6900 -3.6879 -3.6653 -3.6635 -0.1930 -0.1880 -0.1666 -0.1658 0.0887 0.0919 0.1027 0.1068 3.8294 3.8323 3.8742 3.8883 3.8972 3.9078 3.9460 3.9494 4.7419 4.7462 4.8680 4.8864 4.9095 4.9220 4.9312 4.9541 5.7932 5.8305 5.9252 5.9350 5.9920 6.0233 6.1007 6.1220 6.4225 6.4248 6.4366 6.5045 6.5183 6.5354 6.5575 6.6264 6.8359 6.8807 6.8944 6.9350 6.9387 6.9409 6.9491 6.9608 7.3082 7.3206 7.3800 7.3930 7.4095 7.4297 7.4441 7.4733 8.0308 8.0486 8.0505 8.2270 8.2616 8.2887 8.3599 8.4084 8.4556 8.5702 8.6169 8.6402 8.7286 8.7337 8.7390 8.7821 9.7961 9.8067 9.9282 9.9795 10.2680 10.2781 10.3065 10.3355 11.8404 11.8585 11.9897 11.9964 12.0289 12.0734 12.1430 12.1578 13.3470 13.3921 13.4429 13.4671 k = 0.4419 0.4419 0.4419 ( 7592 PWs) bands (ev): -3.7921 -3.7902 -3.7660 -3.7639 -3.6935 -3.6915 -3.6754 -3.6735 -0.1801 -0.1755 -0.1618 -0.1605 0.0562 0.0592 0.0665 0.0706 3.8392 3.8430 3.8700 3.8827 3.8895 3.8975 3.9345 3.9376 4.7507 4.7535 4.8832 4.9003 4.9129 4.9232 4.9288 4.9480 5.8382 5.8695 5.9513 5.9639 6.0135 6.0442 6.0885 6.1044 6.4186 6.4226 6.4261 6.4948 6.4957 6.5177 6.5506 6.5986 6.8533 6.8883 6.8951 6.9266 6.9321 6.9323 6.9438 6.9487 7.3346 7.3466 7.3958 7.4089 7.4184 7.4388 7.4433 7.4650 8.0899 8.0957 8.0993 8.2502 8.2649 8.2939 8.4162 8.4520 8.4999 8.5826 8.6344 8.6533 8.7205 8.7326 8.7371 8.7729 9.7910 9.8046 9.8786 9.9255 10.1812 10.1838 10.2181 10.2434 11.8780 11.8910 11.9796 11.9870 12.0286 12.0615 12.1123 12.1242 13.3587 13.3973 13.4273 13.4389 k = 0.4535 0.4535 0.4535 ( 7610 PWs) bands (ev): -3.7749 -3.7729 -3.7586 -3.7564 -3.6977 -3.6956 -3.6854 -3.6835 -0.1651 -0.1608 -0.1534 -0.1516 0.0249 0.0278 0.0319 0.0359 3.8476 3.8521 3.8669 3.8772 3.8828 3.8879 3.9268 3.9292 4.7576 4.7591 4.8969 4.9118 4.9167 4.9251 4.9271 4.9426 5.8799 5.9033 5.9770 5.9918 6.0309 6.0609 6.0785 6.0891 6.4158 6.4158 6.4205 6.4695 6.4826 6.4976 6.5424 6.5705 6.8688 6.8946 6.8973 6.9212 6.9255 6.9259 6.9385 6.9396 7.3557 7.3647 7.4117 7.4239 7.4272 7.4453 7.4466 7.4594 8.1400 8.1440 8.1462 8.2657 8.2667 8.2908 8.4667 8.4927 8.5445 8.6017 8.6485 8.6667 8.7126 8.7248 8.7388 8.7639 9.7898 9.8071 9.8413 9.8834 10.0964 10.0987 10.1365 10.1565 11.9104 11.9192 11.9739 11.9808 12.0266 12.0502 12.0833 12.0927 13.3672 13.3997 13.4137 13.4167 k = 0.4651 0.4651 0.4651 ( 7610 PWs) bands (ev): -3.7596 -3.7576 -3.7506 -3.7485 -3.7027 -3.7007 -3.6954 -3.6935 -0.1480 -0.1441 -0.1414 -0.1392 -0.0049 -0.0020 -0.0008 0.0030 3.8545 3.8592 3.8650 3.8723 3.8770 3.8796 3.9222 3.9236 4.7625 4.7632 4.9086 4.9204 4.9205 4.9263 4.9270 4.9379 5.9165 5.9306 6.0017 6.0169 6.0427 6.0717 6.0720 6.0782 6.4081 6.4144 6.4184 6.4462 6.4665 6.4754 6.5330 6.5459 6.8825 6.8998 6.9006 6.9178 6.9207 6.9208 6.9322 6.9329 7.3711 7.3759 7.4271 7.4357 7.4368 7.4485 7.4522 7.4563 8.1798 8.1887 8.1901 8.2652 8.2761 8.2840 8.5086 8.5241 8.5881 8.6270 8.6613 8.6789 8.7053 8.7159 8.7363 8.7543 9.7936 9.8145 9.8188 9.8559 10.0180 10.0224 10.0637 10.0772 11.9381 11.9437 11.9727 11.9786 12.0226 12.0390 12.0566 12.0641 13.3738 13.3997 13.4009 13.4034 k = 0.4767 0.4767 0.4767 ( 7610 PWs) bands (ev): -3.7462 -3.7442 -3.7422 -3.7401 -3.7086 -3.7068 -3.7051 -3.7033 -0.1289 -0.1259 -0.1252 -0.1232 -0.0331 -0.0313 -0.0303 -0.0278 3.8598 3.8637 3.8642 3.8685 3.8723 3.8731 3.9198 3.9203 4.7659 4.7661 4.9179 4.9239 4.9262 4.9262 4.9284 4.9340 5.9449 5.9505 6.0249 6.0372 6.0496 6.0684 6.0722 6.0760 6.4053 6.4145 6.4157 6.4295 6.4491 6.4525 6.5236 6.5276 6.8942 6.9040 6.9048 6.9157 6.9171 6.9173 6.9257 6.9271 7.3810 7.3826 7.4401 7.4434 7.4465 7.4516 7.4552 7.4554 8.2138 8.2237 8.2255 8.2646 8.2762 8.2781 8.5394 8.5455 8.6290 8.6543 8.6743 8.6873 8.7000 8.7066 8.7290 8.7419 9.8040 9.8128 9.8271 9.8444 9.9505 9.9544 10.0018 10.0086 11.9612 11.9648 11.9761 11.9810 12.0164 12.0273 12.0329 12.0390 13.3797 13.3918 13.3968 13.3980 k = 0.4884 0.4884 0.4884 ( 7592 PWs) bands (ev): -3.7346 -3.7338 -3.7323 -3.7314 -3.7157 -3.7148 -3.7137 -3.7129 -0.1079 -0.1070 -0.1044 -0.1040 -0.0596 -0.0592 -0.0568 -0.0560 3.8636 3.8645 3.8658 3.8664 3.8686 3.8686 3.9187 3.9187 4.7677 4.7677 4.9245 4.9266 4.9269 4.9287 4.9290 4.9309 5.9619 5.9627 6.0455 6.0519 6.0554 6.0662 6.0681 6.0725 6.4088 6.4136 6.4159 6.4216 6.4321 6.4323 6.5163 6.5168 6.9040 6.9074 6.9094 6.9143 6.9146 6.9153 6.9199 6.9208 7.3861 7.3863 7.4492 7.4496 7.4520 7.4536 7.4551 7.4559 8.2409 8.2482 8.2483 8.2641 8.2686 8.2730 8.5577 8.5586 8.6653 8.6774 8.6875 8.6898 8.6979 8.6981 8.7184 8.7247 9.8231 9.8244 9.8432 9.8472 9.8953 9.8971 9.9548 9.9563 11.9802 11.9829 11.9841 11.9880 12.0075 12.0126 12.0148 12.0179 13.3860 13.3894 13.3938 13.3955 k = 0.5000 0.5000 0.5000 ( 7568 PWs) bands (ev): -3.7265 -3.7265 -3.7223 -3.7223 -3.7223 -3.7223 -3.7223 -3.7223 -0.0877 -0.0877 -0.0815 -0.0815 -0.0815 -0.0815 -0.0815 -0.0815 3.8660 3.8660 3.8660 3.8660 3.8660 3.8660 3.9183 3.9183 4.7683 4.7683 4.9284 4.9284 4.9284 4.9284 4.9284 4.9284 5.9670 5.9670 6.0619 6.0619 6.0619 6.0619 6.0619 6.0619 6.4182 6.4182 6.4182 6.4182 6.4182 6.4182 6.5134 6.5134 6.9095 6.9095 6.9145 6.9145 6.9145 6.9145 6.9145 6.9145 7.3876 7.3876 7.4539 7.4539 7.4539 7.4539 7.4539 7.4539 8.2607 8.2607 8.2607 8.2607 8.2607 8.2607 8.5634 8.5634 8.6921 8.6921 8.6921 8.6921 8.6921 8.6921 8.7095 8.7095 9.8530 9.8530 9.8530 9.8530 9.8530 9.8530 9.9341 9.9341 11.9959 11.9959 11.9959 11.9959 11.9959 11.9959 12.0045 12.0045 13.3937 13.3937 13.3937 13.3937 k = 0.5000 0.5000 0.5000 ( 7568 PWs) bands (ev): -3.7265 -3.7265 -3.7223 -3.7223 -3.7223 -3.7223 -3.7223 -3.7223 -0.0877 -0.0877 -0.0815 -0.0815 -0.0815 -0.0815 -0.0815 -0.0815 3.8660 3.8660 3.8660 3.8660 3.8660 3.8660 3.9183 3.9183 4.7683 4.7683 4.9284 4.9284 4.9284 4.9284 4.9284 4.9284 5.9670 5.9670 6.0619 6.0619 6.0619 6.0619 6.0619 6.0619 6.4182 6.4182 6.4182 6.4182 6.4182 6.4182 6.5134 6.5134 6.9095 6.9095 6.9145 6.9145 6.9145 6.9145 6.9145 6.9145 7.3876 7.3876 7.4539 7.4539 7.4539 7.4539 7.4539 7.4539 8.2607 8.2607 8.2607 8.2607 8.2607 8.2607 8.5634 8.5634 8.6921 8.6921 8.6921 8.6921 8.6921 8.6921 8.7095 8.7095 9.8530 9.8530 9.8530 9.8530 9.8530 9.8530 9.9341 9.9341 11.9959 11.9959 11.9959 11.9959 11.9959 11.9959 12.0045 12.0045 13.3937 13.3937 13.3937 13.3937 k = 0.4861 0.5000 0.4861 ( 7600 PWs) bands (ev): -3.7340 -3.7340 -3.7316 -3.7316 -3.7154 -3.7154 -3.7135 -3.7135 -0.1069 -0.1069 -0.1036 -0.1036 -0.0600 -0.0600 -0.0571 -0.0571 3.8641 3.8641 3.8662 3.8662 3.8685 3.8685 3.9187 3.9187 4.7678 4.7678 4.9254 4.9254 4.9279 4.9279 4.9301 4.9301 5.9626 5.9626 6.0481 6.0481 6.0608 6.0608 6.0711 6.0711 6.4104 6.4104 6.4198 6.4198 6.4316 6.4316 6.5164 6.5164 6.9056 6.9056 6.9114 6.9114 6.9157 6.9157 6.9201 6.9201 7.3863 7.3863 7.4495 7.4495 7.4529 7.4529 7.4555 7.4555 8.2434 8.2434 8.2571 8.2571 8.2715 8.2715 8.5583 8.5583 8.6712 8.6712 8.6913 8.6913 8.6960 8.6960 8.7215 8.7215 9.8244 9.8244 9.8455 9.8455 9.8949 9.8949 9.9546 9.9546 11.9821 11.9821 11.9860 11.9860 12.0098 12.0098 12.0161 12.0161 13.3876 13.3876 13.3949 13.3949 k = 0.4722 0.5000 0.4722 ( 7608 PWs) bands (ev): -3.7438 -3.7438 -3.7415 -3.7415 -3.7074 -3.7074 -3.7052 -3.7052 -0.1265 -0.1265 -0.1233 -0.1233 -0.0336 -0.0336 -0.0304 -0.0304 3.8618 3.8618 3.8665 3.8665 3.8723 3.8723 3.9199 3.9199 4.7661 4.7661 4.9206 4.9206 4.9265 4.9265 4.9315 4.9315 5.9490 5.9490 6.0318 6.0318 6.0568 6.0568 6.0761 6.0761 6.4077 6.4077 6.4252 6.4252 6.4494 6.4494 6.5250 6.5250 6.8983 6.8983 6.9102 6.9102 6.9183 6.9183 6.9261 6.9261 7.3822 7.3822 7.4421 7.4421 7.4492 7.4492 7.4554 7.4554 8.2173 8.2173 8.2469 8.2469 8.2783 8.2783 8.5427 8.5427 8.6431 8.6431 8.6881 8.6881 8.6962 8.6962 8.7362 8.7362 9.8094 9.8094 9.8365 9.8365 9.9489 9.9489 10.0019 10.0019 11.9681 11.9681 11.9738 11.9738 12.0241 12.0241 12.0330 12.0330 13.3848 13.3848 13.3985 13.3985 k = 0.4583 0.5000 0.4583 ( 7612 PWs) bands (ev): -3.7545 -3.7545 -3.7522 -3.7522 -3.6997 -3.6997 -3.6974 -3.6974 -0.1438 -0.1438 -0.1404 -0.1404 -0.0051 -0.0051 -0.0016 -0.0016 3.8589 3.8589 3.8667 3.8667 3.8781 3.8781 3.9224 3.9224 4.7632 4.7632 4.9137 4.9137 4.9241 4.9241 4.9330 4.9330 5.9265 5.9265 6.0142 6.0142 6.0491 6.0491 6.0788 6.0788 6.4083 6.4083 6.4353 6.4353 6.4693 6.4693 6.5383 6.5383 6.8899 6.8899 6.9095 6.9095 6.9215 6.9215 6.9325 6.9325 7.3747 7.3747 7.4319 7.4319 7.4429 7.4429 7.4544 7.4544 8.1814 8.1814 8.2312 8.2312 8.2819 8.2819 8.5161 8.5161 8.6131 8.6131 8.6808 8.6808 8.6987 8.6987 8.7477 8.7477 9.8074 9.8074 9.8365 9.8365 10.0131 10.0131 10.0636 10.0636 11.9534 11.9534 11.9620 11.9620 12.0393 12.0393 12.0521 12.0521 13.3845 13.3845 13.4044 13.4044 k = 0.4444 0.5000 0.4444 ( 7606 PWs) bands (ev): -3.7659 -3.7659 -3.7635 -3.7635 -3.6923 -3.6923 -3.6898 -3.6898 -0.1585 -0.1585 -0.1549 -0.1549 0.0252 0.0252 0.0291 0.0291 3.8551 3.8551 3.8662 3.8662 3.8859 3.8859 3.9267 3.9267 4.7591 4.7591 4.9047 4.9047 4.9209 4.9209 4.9349 4.9349 5.8967 5.8967 5.9943 5.9943 6.0390 6.0390 6.0808 6.0808 6.4108 6.4108 6.4492 6.4492 6.4892 6.4892 6.5552 6.5552 6.8808 6.8808 6.9093 6.9093 6.9251 6.9251 6.9399 6.9399 7.3630 7.3630 7.4189 7.4189 7.4354 7.4354 7.4532 7.4532 8.1367 8.1367 8.2101 8.2101 8.2824 8.2824 8.4798 8.4798 8.5828 8.5828 8.6695 8.6695 8.7045 8.7045 8.7568 8.7568 9.8171 9.8171 9.8474 9.8474 10.0853 10.0853 10.1353 10.1353 11.9378 11.9378 11.9502 11.9502 12.0556 12.0556 12.0731 12.0731 13.3860 13.3860 13.4124 13.4124 k = 0.4306 0.5000 0.4306 ( 7600 PWs) bands (ev): -3.7781 -3.7781 -3.7757 -3.7757 -3.6853 -3.6853 -3.6825 -3.6825 -0.1707 -0.1707 -0.1668 -0.1668 0.0572 0.0572 0.0616 0.0616 3.8505 3.8505 3.8648 3.8648 3.8958 3.8958 3.9334 3.9334 4.7534 4.7534 4.8937 4.8937 4.9173 4.9173 4.9373 4.9373 5.8620 5.8620 5.9705 5.9705 6.0292 6.0292 6.0823 6.0823 6.4143 6.4143 6.4641 6.4641 6.5075 6.5075 6.5746 6.5746 6.8714 6.8714 6.9095 6.9095 6.9291 6.9291 6.9490 6.9490 7.3465 7.3465 7.4025 7.4025 7.4290 7.4290 7.4520 7.4520 8.0853 8.0853 8.1839 8.1839 8.2790 8.2790 8.4372 8.4372 8.5525 8.5525 8.6545 8.6545 8.7135 8.7135 8.7647 8.7647 9.8369 9.8369 9.8687 9.8687 10.1635 10.1635 10.2143 10.2143 11.9209 11.9209 11.9381 11.9381 12.0732 12.0732 12.0955 12.0955 13.3884 13.3884 13.4218 13.4218 k = 0.4167 0.5000 0.4167 ( 7612 PWs) bands (ev): -3.7911 -3.7911 -3.7886 -3.7886 -3.6784 -3.6784 -3.6754 -3.6754 -0.1804 -0.1804 -0.1760 -0.1760 0.0906 0.0906 0.0956 0.0956 3.8454 3.8454 3.8622 3.8622 3.9078 3.9078 3.9427 3.9427 4.7461 4.7461 4.8808 4.8808 4.9137 4.9137 4.9402 4.9402 5.8245 5.8245 5.9425 5.9425 6.0207 6.0207 6.0828 6.0828 6.4178 6.4178 6.4771 6.4771 6.5236 6.5236 6.5950 6.5950 6.8618 6.8618 6.9101 6.9101 6.9335 6.9335 6.9604 6.9604 7.3253 7.3253 7.3825 7.3825 7.4251 7.4251 7.4512 7.4512 8.0297 8.0297 8.1531 8.1531 8.2707 8.2707 8.3923 8.3923 8.5222 8.5222 8.6365 8.6365 8.7250 8.7250 8.7729 8.7729 9.8652 9.8652 9.8985 9.8985 10.2457 10.2457 10.2986 10.2986 11.9025 11.9025 11.9251 11.9251 12.0920 12.0920 12.1190 12.1190 13.3905 13.3905 13.4316 13.4316 k = 0.4028 0.5000 0.4028 ( 7600 PWs) bands (ev): -3.8048 -3.8048 -3.8023 -3.8023 -3.6717 -3.6717 -3.6684 -3.6684 -0.1876 -0.1876 -0.1825 -0.1825 0.1251 0.1251 0.1310 0.1310 3.8398 3.8398 3.8588 3.8588 3.9219 3.9219 3.9546 3.9546 4.7370 4.7370 4.8662 4.8662 4.9104 4.9104 4.9436 4.9436 5.7856 5.7856 5.9115 5.9115 6.0134 6.0134 6.0823 6.0823 6.4198 6.4198 6.4852 6.4852 6.5379 6.5379 6.6145 6.6145 6.8527 6.8527 6.9107 6.9107 6.9387 6.9387 6.9746 6.9746 7.3003 7.3003 7.3594 7.3594 7.4239 7.4239 7.4511 7.4511 7.9724 7.9724 8.1187 8.1187 8.2557 8.2557 8.3488 8.3488 8.4923 8.4923 8.6159 8.6159 8.7379 8.7379 8.7829 8.7829 9.9002 9.9002 9.9354 9.9354 10.3302 10.3302 10.3863 10.3863 11.8825 11.8825 11.9110 11.9110 12.1117 12.1117 12.1430 12.1430 13.3913 13.3913 13.4402 13.4402 k = 0.3889 0.5000 0.3889 ( 7602 PWs) bands (ev): -3.8193 -3.8193 -3.8167 -3.8167 -3.6651 -3.6651 -3.6616 -3.6616 -0.1923 -0.1923 -0.1864 -0.1864 0.1606 0.1606 0.1675 0.1675 3.8340 3.8340 3.8547 3.8547 3.9381 3.9381 3.9690 3.9690 4.7260 4.7260 4.8501 4.8501 4.9078 4.9078 4.9475 4.9475 5.7464 5.7464 5.8789 5.8789 6.0067 6.0067 6.0806 6.0806 6.4181 6.4181 6.4871 6.4871 6.5505 6.5505 6.6310 6.6310 6.8443 6.8443 6.9107 6.9107 6.9456 6.9456 6.9916 6.9916 7.2723 7.2723 7.3341 7.3341 7.4248 7.4248 7.4526 7.4526 7.9158 7.9158 8.0823 8.0823 8.2325 8.2325 8.3098 8.3098 8.4632 8.4632 8.5933 8.5933 8.7506 8.7506 8.7956 8.7956 9.9405 9.9405 9.9774 9.9774 10.4155 10.4155 10.4761 10.4761 11.8608 11.8608 11.8956 11.8956 12.1318 12.1318 12.1669 12.1669 13.3895 13.3895 13.4457 13.4457 k = 0.3750 0.5000 0.3750 ( 7594 PWs) bands (ev): -3.8344 -3.8344 -3.8318 -3.8318 -3.6586 -3.6586 -3.6547 -3.6547 -0.1945 -0.1945 -0.1877 -0.1877 0.1967 0.1967 0.2048 0.2048 3.8282 3.8282 3.8505 3.8505 3.9562 3.9562 3.9856 3.9856 4.7132 4.7132 4.8327 4.8327 4.9061 4.9061 4.9520 4.9520 5.7074 5.7074 5.8454 5.8454 6.0005 6.0005 6.0777 6.0777 6.4104 6.4104 6.4831 6.4831 6.5608 6.5608 6.6427 6.6427 6.8368 6.8368 6.9094 6.9094 6.9549 6.9549 7.0112 7.0112 7.2428 7.2428 7.3078 7.3078 7.4269 7.4269 7.4563 7.4563 7.8621 7.8621 8.0452 8.0452 8.2016 8.2016 8.2762 8.2762 8.4356 8.4356 8.5690 8.5690 8.7622 8.7622 8.8114 8.8114 9.9848 9.9848 10.0232 10.0232 10.5003 10.5003 10.5665 10.5665 11.8375 11.8375 11.8788 11.8788 12.1519 12.1519 12.1901 12.1901 13.3834 13.3834 13.4458 13.4458 k = 0.3611 0.5000 0.3611 ( 7586 PWs) bands (ev): -3.8502 -3.8502 -3.8475 -3.8475 -3.6521 -3.6521 -3.6479 -3.6479 -0.1944 -0.1944 -0.1866 -0.1866 0.2332 0.2332 0.2428 0.2428 3.8227 3.8227 3.8464 3.8464 3.9762 3.9762 4.0044 4.0044 4.6986 4.6986 4.8141 4.8141 4.9053 4.9053 4.9569 4.9569 5.6692 5.6692 5.8118 5.8118 5.9943 5.9943 6.0733 6.0733 6.3947 6.3947 6.4740 6.4740 6.5681 6.5681 6.6483 6.6483 6.8297 6.8297 6.9058 6.9058 6.9672 6.9672 7.0327 7.0327 7.2131 7.2131 7.2821 7.2821 7.4292 7.4292 7.4624 7.4624 7.8134 7.8134 8.0088 8.0088 8.1663 8.1663 8.2462 8.2462 8.4095 8.4095 8.5438 8.5438 8.7727 8.7727 8.8292 8.8292 10.0316 10.0316 10.0715 10.0715 10.5836 10.5836 10.6562 10.6562 11.8126 11.8126 11.8606 11.8606 12.1713 12.1713 12.2122 12.2122 13.3719 13.3719 13.4388 13.4388 k = 0.3472 0.5000 0.3472 ( 7590 PWs) bands (ev): -3.8665 -3.8665 -3.8638 -3.8638 -3.6455 -3.6455 -3.6411 -3.6411 -0.1919 -0.1919 -0.1830 -0.1830 0.2699 0.2699 0.2810 0.2810 3.8177 3.8177 3.8427 3.8427 3.9980 3.9980 4.0253 4.0253 4.6824 4.6824 4.7945 4.7945 4.9055 4.9055 4.9623 4.9623 5.6324 5.6324 5.7786 5.7786 5.9881 5.9881 6.0676 6.0676 6.3703 6.3703 6.4601 6.4601 6.5714 6.5714 6.6478 6.6478 6.8224 6.8224 6.8995 6.8995 6.9819 6.9819 7.0548 7.0548 7.1856 7.1856 7.2585 7.2585 7.4312 7.4312 7.4703 7.4703 7.7722 7.7722 7.9745 7.9745 8.1304 8.1304 8.2178 8.2178 8.3849 8.3849 8.5179 8.5179 8.7819 8.7819 8.8475 8.8475 10.0800 10.0800 10.1211 10.1211 10.6643 10.6643 10.7439 10.7439 11.7866 11.7866 11.8412 11.8412 12.1896 12.1896 12.2328 12.2328 13.3544 13.3544 13.4244 13.4244 k = 0.3333 0.5000 0.3333 ( 7582 PWs) bands (ev): -3.8832 -3.8832 -3.8806 -3.8806 -3.6390 -3.6390 -3.6343 -3.6343 -0.1873 -0.1873 -0.1772 -0.1772 0.3065 0.3065 0.3194 0.3194 3.8134 3.8134 3.8398 3.8398 4.0214 4.0214 4.0480 4.0480 4.6648 4.6648 4.7740 4.7740 4.9068 4.9068 4.9682 4.9682 5.5971 5.5971 5.7462 5.7462 5.9816 5.9816 6.0604 6.0604 6.3376 6.3376 6.4411 6.4411 6.5703 6.5703 6.6418 6.6418 6.8139 6.8139 6.8903 6.8903 6.9964 6.9964 7.0756 7.0756 7.1635 7.1635 7.2386 7.2386 7.4322 7.4322 7.4787 7.4787 7.7405 7.7405 7.9432 7.9432 8.0960 8.0960 8.1901 8.1901 8.3616 8.3616 8.4922 8.4922 8.7896 8.7896 8.8648 8.8648 10.1288 10.1288 10.1711 10.1711 10.7416 10.7416 10.8283 10.8283 11.7599 11.7599 11.8211 11.8211 12.2062 12.2062 12.2518 12.2518 13.3319 13.3319 13.4041 13.4041 k = 0.3194 0.5000 0.3194 ( 7578 PWs) bands (ev): -3.9003 -3.9003 -3.8977 -3.8977 -3.6324 -3.6324 -3.6275 -3.6275 -0.1805 -0.1805 -0.1692 -0.1692 0.3427 0.3427 0.3575 0.3575 3.8101 3.8101 3.8379 3.8379 4.0462 4.0462 4.0724 4.0724 4.6461 4.6461 4.7529 4.7529 4.9090 4.9090 4.9746 4.9746 5.5637 5.5637 5.7150 5.7150 5.9746 5.9746 6.0516 6.0516 6.2978 6.2978 6.4168 6.4168 6.5641 6.5641 6.6314 6.6314 6.8037 6.8037 6.8786 6.8786 7.0062 7.0062 7.0917 7.0917 7.1523 7.1523 7.2238 7.2238 7.4313 7.4313 7.4863 7.4863 7.7204 7.7204 7.9156 7.9156 8.0645 8.0645 8.1636 8.1636 8.3398 8.3398 8.4671 8.4671 8.7955 8.7955 8.8801 8.8801 10.1771 10.1771 10.2206 10.2206 10.8144 10.8144 10.9083 10.9083 11.7335 11.7335 11.8007 11.8007 12.2209 12.2209 12.2694 12.2694 13.3062 13.3062 13.3807 13.3807 k = 0.3056 0.5000 0.3056 ( 7596 PWs) bands (ev): -3.9177 -3.9177 -3.9151 -3.9151 -3.6257 -3.6257 -3.6207 -3.6207 -0.1718 -0.1718 -0.1592 -0.1592 0.3783 0.3783 0.3951 0.3951 3.8079 3.8079 3.8371 3.8371 4.0722 4.0722 4.0984 4.0984 4.6265 4.6265 4.7312 4.7312 4.9121 4.9121 4.9813 4.9813 5.5325 5.5325 5.6851 5.6851 5.9669 5.9669 6.0407 6.0407 6.2527 6.2527 6.3874 6.3874 6.5526 6.5526 6.6176 6.6176 6.7918 6.7918 6.8647 6.8647 7.0074 7.0074 7.0995 7.0995 7.1560 7.1560 7.2159 7.2159 7.4277 7.4277 7.4928 7.4928 7.7123 7.7123 7.8924 7.8924 8.0363 8.0363 8.1389 8.1389 8.3195 8.3195 8.4432 8.4432 8.7989 8.7989 8.8923 8.8923 10.2239 10.2239 10.2689 10.2689 10.8821 10.8821 10.9823 10.9823 11.7085 11.7085 11.7809 11.7809 12.2335 12.2335 12.2860 12.2860 13.2796 13.2796 13.3569 13.3569 k = 0.2917 0.5000 0.2917 ( 7594 PWs) bands (ev): -3.9352 -3.9352 -3.9326 -3.9326 -3.6191 -3.6191 -3.6138 -3.6138 -0.1613 -0.1613 -0.1473 -0.1473 0.4130 0.4130 0.4321 0.4321 3.8070 3.8070 3.8378 3.8378 4.0991 4.0991 4.1257 4.1257 4.6064 4.6064 4.7091 4.7091 4.9160 4.9160 4.9884 4.9884 5.5037 5.5037 5.6567 5.6567 5.9580 5.9580 6.0275 6.0275 6.2040 6.2040 6.3539 6.3539 6.5357 6.5357 6.6014 6.6014 6.7782 6.7782 6.8490 6.8490 7.0003 7.0003 7.1006 7.1006 7.1684 7.1684 7.2160 7.2160 7.4216 7.4216 7.4985 7.4985 7.7145 7.7145 7.8740 7.8740 8.0118 8.0118 8.1166 8.1166 8.3009 8.3009 8.4210 8.4210 8.7991 8.7991 8.9007 8.9007 10.2683 10.2683 10.3151 10.3151 10.9438 10.9438 11.0487 11.0487 11.6866 11.6866 11.7627 11.7627 12.2445 12.2445 12.3023 12.3023 13.2545 13.2545 13.3352 13.3352 k = 0.2778 0.5000 0.2778 ( 7590 PWs) bands (ev): -3.9527 -3.9527 -3.9502 -3.9502 -3.6124 -3.6124 -3.6070 -3.6070 -0.1492 -0.1492 -0.1336 -0.1336 0.4465 0.4465 0.4681 0.4681 3.8074 3.8074 3.8398 3.8398 4.1264 4.1264 4.1540 4.1540 4.5861 4.5861 4.6868 4.6868 4.9207 4.9207 4.9959 4.9959 5.4773 5.4773 5.6301 5.6301 5.9470 5.9470 6.0113 6.0113 6.1541 6.1541 6.3177 6.3177 6.5143 6.5143 6.5831 6.5831 6.7632 6.7632 6.8320 6.8320 6.9885 6.9885 7.0978 7.0978 7.1805 7.1805 7.2235 7.2235 7.4148 7.4148 7.5040 7.5040 7.7239 7.7239 7.8608 7.8608 7.9913 7.9913 8.0974 8.0974 8.2846 8.2846 8.4012 8.4012 8.7955 8.7955 8.9045 8.9045 10.3096 10.3096 10.3585 10.3585 10.9990 10.9990 11.1060 11.1060 11.6695 11.6695 11.7473 11.7473 12.2544 12.2544 12.3189 12.3189 13.2323 13.2323 13.3168 13.3168 k = 0.2639 0.5000 0.2639 ( 7586 PWs) bands (ev): -3.9701 -3.9701 -3.9677 -3.9677 -3.6058 -3.6058 -3.6003 -3.6003 -0.1355 -0.1355 -0.1185 -0.1185 0.4788 0.4788 0.5029 0.5029 3.8092 3.8092 3.8433 3.8433 4.1536 4.1536 4.1830 4.1830 4.5659 4.5659 4.6646 4.6646 4.9263 4.9263 5.0039 5.0039 5.4537 5.4537 5.6053 5.6053 5.9326 5.9326 5.9911 5.9911 6.1061 6.1061 6.2809 6.2809 6.4893 6.4893 6.5627 6.5627 6.7471 6.7471 6.8143 6.8143 6.9747 6.9747 7.0924 7.0924 7.1880 7.1880 7.2347 7.2347 7.4100 7.4100 7.5092 7.5092 7.7366 7.7366 7.8527 7.8527 7.9750 7.9750 8.0820 8.0820 8.2709 8.2709 8.3842 8.3842 8.7878 8.7878 8.9031 8.9031 10.3470 10.3470 10.3984 10.3984 11.0474 11.0474 11.1530 11.1530 11.6588 11.6588 11.7359 11.7359 12.2643 12.2643 12.3368 12.3368 13.2140 13.2140 13.3023 13.3023 k = 0.2500 0.5000 0.2500 ( 7584 PWs) bands (ev): -3.9874 -3.9874 -3.9851 -3.9851 -3.5991 -3.5991 -3.5936 -3.5936 -0.1206 -0.1206 -0.1020 -0.1020 0.5097 0.5097 0.5364 0.5364 3.8125 3.8125 3.8484 3.8484 4.1803 4.1803 4.2122 4.2122 4.5463 4.5463 4.6428 4.6428 4.9328 4.9328 5.0123 5.0123 5.4328 5.4328 5.5824 5.5824 5.9123 5.9123 5.9661 5.9661 6.0643 6.0643 6.2451 6.2451 6.4618 6.4618 6.5400 6.5400 6.7301 6.7301 6.7965 6.7965 6.9601 6.9601 7.0855 7.0855 7.1907 7.1907 7.2446 7.2446 7.4093 7.4093 7.5138 7.5138 7.7493 7.7493 7.8491 7.8491 7.9632 7.9632 8.0706 8.0706 8.2603 8.2603 8.3704 8.3704 8.7754 8.7754 8.8963 8.8963 10.3798 10.3798 10.4342 10.4342 11.0889 11.0889 11.1894 11.1894 11.6550 11.6550 11.7297 11.7297 12.2756 12.2756 12.3566 12.3566 13.1998 13.1998 13.2916 13.2916 k = 0.2361 0.5000 0.2361 ( 7584 PWs) bands (ev): -4.0044 -4.0044 -4.0021 -4.0021 -3.5926 -3.5926 -3.5870 -3.5870 -0.1046 -0.1046 -0.0845 -0.0845 0.5389 0.5389 0.5684 0.5684 3.8171 3.8171 3.8548 3.8548 4.2055 4.2055 4.2407 4.2407 4.5278 4.5278 4.6218 4.6218 4.9403 4.9403 5.0213 5.0213 5.4146 5.4146 5.5614 5.5614 5.8834 5.8834 5.9370 5.9370 6.0321 6.0321 6.2121 6.2121 6.4329 6.4329 6.5151 6.5151 6.7125 6.7125 6.7788 6.7788 6.9448 6.9448 7.0777 7.0777 7.1891 7.1891 7.2501 7.2501 7.4132 7.4132 7.5178 7.5178 7.7595 7.7595 7.8488 7.8488 7.9564 7.9564 8.0636 8.0636 8.2533 8.2533 8.3603 8.3603 8.7583 8.7583 8.8839 8.8839 10.4078 10.4078 10.4653 10.4653 11.1240 11.1240 11.2165 11.2165 11.6571 11.6571 11.7291 11.7291 12.2894 12.2894 12.3792 12.3792 13.1893 13.1893 13.2840 13.2840 k = 0.2222 0.5000 0.2222 ( 7580 PWs) bands (ev): -4.0210 -4.0210 -4.0188 -4.0188 -3.5861 -3.5861 -3.5805 -3.5805 -0.0878 -0.0878 -0.0660 -0.0660 0.5663 0.5663 0.5987 0.5987 3.8229 3.8229 3.8624 3.8624 4.2287 4.2287 4.2677 4.2677 4.5110 4.5110 4.6022 4.6022 4.9489 4.9489 5.0311 5.0311 5.3991 5.3991 5.5421 5.5421 5.8454 5.8454 5.9059 5.9059 6.0096 6.0096 6.1824 6.1824 6.4033 6.4033 6.4882 6.4882 6.6949 6.6949 6.7615 6.7615 6.9289 6.9289 7.0693 7.0693 7.1842 7.1842 7.2505 7.2505 7.4205 7.4205 7.5212 7.5212 7.7655 7.7655 7.8500 7.8500 7.9548 7.9548 8.0608 8.0608 8.2502 8.2502 8.3539 8.3539 8.7366 8.7366 8.8659 8.8659 10.4308 10.4308 10.4913 10.4913 11.1536 11.1536 11.2371 11.2371 11.6632 11.6632 11.7339 11.7339 12.3069 12.3069 12.4050 12.4050 13.1821 13.1821 13.2790 13.2790 k = 0.2083 0.5000 0.2083 ( 7580 PWs) bands (ev): -4.0371 -4.0371 -4.0350 -4.0350 -3.5798 -3.5798 -3.5742 -3.5742 -0.0703 -0.0703 -0.0469 -0.0469 0.5920 0.5920 0.6272 0.6272 3.8298 3.8298 3.8710 3.8710 4.2486 4.2486 4.2921 4.2921 4.4965 4.4965 4.5849 4.5849 4.9588 4.9588 5.0419 5.0419 5.3860 5.3860 5.5246 5.5246 5.8023 5.8023 5.8747 5.8747 5.9939 5.9939 6.1560 6.1560 6.3739 6.3739 6.4598 6.4598 6.6775 6.6775 6.7443 6.7443 6.9124 6.9124 7.0603 7.0603 7.1769 7.1769 7.2465 7.2465 7.4293 7.4293 7.5241 7.5241 7.7666 7.7666 7.8511 7.8511 7.9580 7.9580 8.0618 8.0618 8.2512 8.2512 8.3512 8.3512 8.7108 8.7108 8.8428 8.8428 10.4491 10.4491 10.5121 10.5121 11.1786 11.1786 11.2543 11.2543 11.6712 11.6712 11.7425 11.7425 12.3290 12.3290 12.4343 12.4343 13.1773 13.1773 13.2760 13.2760 k = 0.1944 0.5000 0.1944 ( 7578 PWs) bands (ev): -4.0526 -4.0526 -4.0506 -4.0506 -3.5737 -3.5737 -3.5681 -3.5681 -0.0523 -0.0523 -0.0273 -0.0273 0.6157 0.6157 0.6539 0.6539 3.8375 3.8375 3.8803 3.8803 4.2644 4.2644 4.3123 4.3123 4.4851 4.4851 4.5709 4.5709 4.9700 4.9700 5.0540 5.0540 5.3751 5.3751 5.5085 5.5085 5.7586 5.7586 5.8441 5.8441 5.9821 5.9821 6.1322 6.1322 6.3454 6.3454 6.4304 6.4304 6.6605 6.6605 6.7274 6.7274 6.8952 6.8952 7.0503 7.0503 7.1684 7.1684 7.2394 7.2394 7.4378 7.4378 7.5267 7.5267 7.7631 7.7631 7.8509 7.8509 7.9646 7.9646 8.0658 8.0658 8.2565 8.2565 8.3519 8.3519 8.6816 8.6816 8.8153 8.8153 10.4631 10.4631 10.5280 10.5280 11.2003 11.2003 11.2707 11.2707 11.6799 11.6799 11.7528 11.7528 12.3560 12.3560 12.4670 12.4670 13.1739 13.1739 13.2744 13.2744 k = 0.1806 0.5000 0.1806 ( 7586 PWs) bands (ev): -4.0674 -4.0674 -4.0656 -4.0656 -3.5677 -3.5677 -3.5622 -3.5622 -0.0342 -0.0342 -0.0076 -0.0076 0.6376 0.6376 0.6787 0.6787 3.8458 3.8458 3.8899 3.8899 4.2750 4.2750 4.3270 4.3270 4.4773 4.4773 4.5614 4.5614 4.9826 4.9826 5.0675 5.0675 5.3658 5.3658 5.4936 5.4936 5.7179 5.7179 5.8157 5.8157 5.9725 5.9725 6.1102 6.1102 6.3186 6.3186 6.4008 6.4008 6.6442 6.6442 6.7106 6.7106 6.8772 6.8772 7.0389 7.0389 7.1595 7.1595 7.2301 7.2301 7.4449 7.4449 7.5294 7.5294 7.7557 7.7557 7.8490 7.8490 7.9728 7.9728 8.0718 8.0718 8.2655 8.2655 8.3555 8.3555 8.6503 8.6503 8.7844 8.7844 10.4736 10.4736 10.5394 10.5394 11.2198 11.2198 11.2878 11.2878 11.6887 11.6887 11.7629 11.7629 12.3877 12.3877 12.5028 12.5028 13.1712 13.1712 13.2740 13.2740 k = 0.1667 0.5000 0.1667 ( 7600 PWs) bands (ev): -4.0815 -4.0815 -4.0797 -4.0797 -3.5620 -3.5620 -3.5566 -3.5566 -0.0161 -0.0161 0.0120 0.0120 0.6575 0.6575 0.7016 0.7016 3.8544 3.8544 3.8994 3.8994 4.2803 4.2803 4.3352 4.3352 4.4732 4.4732 4.5572 4.5572 4.9963 4.9963 5.0827 5.0827 5.3576 5.3576 5.4796 5.4796 5.6827 5.6827 5.7907 5.7907 5.9638 5.9638 6.0894 6.0894 6.2940 6.2940 6.3719 6.3719 6.6284 6.6284 6.6940 6.6940 6.8584 6.8584 7.0258 7.0258 7.1509 7.1509 7.2193 7.2193 7.4499 7.4499 7.5322 7.5322 7.7450 7.7450 7.8451 7.8451 7.9809 7.9809 8.0784 8.0784 8.2776 8.2776 8.3609 8.3609 8.6186 8.6186 8.7514 8.7514 10.4815 10.4815 10.5471 10.5471 11.2380 11.2380 11.3059 11.3059 11.6975 11.6975 11.7717 11.7717 12.4235 12.4235 12.5411 12.5411 13.1683 13.1683 13.2745 13.2745 k = 0.1528 0.5000 0.1528 ( 7588 PWs) bands (ev): -4.0947 -4.0947 -4.0931 -4.0931 -3.5565 -3.5565 -3.5512 -3.5512 0.0016 0.0016 0.0313 0.0313 0.6756 0.6756 0.7225 0.7225 3.8631 3.8631 3.9084 3.9084 4.2806 4.2806 4.3368 4.3368 4.4726 4.4726 4.5580 4.5580 5.0108 5.0108 5.0993 5.0993 5.3499 5.3499 5.4663 5.4663 5.6550 5.6550 5.7703 5.7703 5.9551 5.9551 6.0695 6.0695 6.2721 6.2721 6.3447 6.3447 6.6131 6.6131 6.6776 6.6776 6.8384 6.8384 7.0107 7.0107 7.1431 7.1431 7.2077 7.2077 7.4530 7.4530 7.5355 7.5355 7.7316 7.7316 7.8393 7.8393 7.9876 7.9876 8.0842 8.0842 8.2917 8.2917 8.3674 8.3674 8.5887 8.5887 8.7178 8.7178 10.4874 10.4874 10.5520 10.5520 11.2555 11.2555 11.3244 11.3244 11.7061 11.7061 11.7789 11.7789 12.4622 12.4622 12.5811 12.5811 13.1647 13.1647 13.2759 13.2759 k = 0.1389 0.5000 0.1389 ( 7594 PWs) bands (ev): -4.1071 -4.1071 -4.1055 -4.1055 -3.5514 -3.5514 -3.5463 -3.5463 0.0189 0.0189 0.0500 0.0500 0.6918 0.6918 0.7414 0.7414 3.8716 3.8716 3.9165 3.9165 4.2772 4.2772 4.3327 4.3327 4.4747 4.4747 4.5624 4.5624 5.0256 5.0256 5.1171 5.1171 5.3420 5.3420 5.4533 5.4533 5.6364 5.6364 5.7550 5.7550 5.9455 5.9455 6.0510 6.0510 6.2530 6.2530 6.3204 6.3204 6.5981 6.5981 6.6616 6.6616 6.8173 6.8173 6.9937 6.9937 7.1361 7.1361 7.1958 7.1958 7.4544 7.4544 7.5391 7.5391 7.7163 7.7163 7.8318 7.8318 7.9919 7.9919 8.0878 8.0878 8.3064 8.3064 8.3741 8.3741 8.5630 8.5630 8.6851 8.6851 10.4921 10.4921 10.5548 10.5548 11.2723 11.2723 11.3428 11.3428 11.7146 11.7146 11.7847 11.7847 12.5025 12.5025 12.6218 12.6218 13.1601 13.1601 13.2779 13.2779 k = 0.1250 0.5000 0.1250 ( 7610 PWs) bands (ev): -4.1184 -4.1184 -4.1169 -4.1169 -3.5466 -3.5466 -3.5417 -3.5417 0.0353 0.0353 0.0678 0.0678 0.7063 0.7063 0.7585 0.7585 3.8796 3.8796 3.9233 3.9233 4.2717 4.2717 4.3245 4.3245 4.4790 4.4790 4.5686 4.5686 5.0401 5.0401 5.1355 5.1355 5.3339 5.3339 5.4406 5.4406 5.6276 5.6276 5.7450 5.7450 5.9343 5.9343 6.0346 6.0346 6.2364 6.2364 6.3001 6.3001 6.5832 6.5832 6.6460 6.6460 6.7948 6.7948 6.9750 6.9750 7.1301 7.1301 7.1838 7.1838 7.4547 7.4547 7.5430 7.5430 7.6995 7.6995 7.8229 7.8229 7.9934 7.9934 8.0875 8.0875 8.3202 8.3202 8.3809 8.3809 8.5434 8.5434 8.6548 8.6548 10.4961 10.4961 10.5562 10.5562 11.2883 11.2883 11.3601 11.3601 11.7230 11.7230 11.7896 11.7896 12.5429 12.5429 12.6623 12.6623 13.1545 13.1545 13.2804 13.2804 k = 0.1111 0.5000 0.1111 ( 7586 PWs) bands (ev): -4.1287 -4.1287 -4.1273 -4.1273 -3.5423 -3.5423 -3.5375 -3.5375 0.0508 0.0508 0.0846 0.0846 0.7190 0.7190 0.7736 0.7736 3.8870 3.8870 3.9285 3.9285 4.2651 4.2651 4.3139 4.3139 4.4848 4.4848 4.5748 4.5748 5.0537 5.0537 5.1533 5.1533 5.3258 5.3258 5.4282 5.4282 5.6286 5.6286 5.7399 5.7399 5.9210 5.9210 6.0211 6.0211 6.2223 6.2223 6.2847 6.2847 6.5681 6.5681 6.6310 6.6310 6.7710 6.7710 6.9549 6.9549 7.1248 7.1248 7.1722 7.1722 7.4544 7.4544 7.5467 7.5467 7.6823 7.6823 7.8126 7.8126 7.9921 7.9921 8.0826 8.0826 8.3319 8.3319 8.3881 8.3881 8.5308 8.5308 8.6285 8.6285 10.4997 10.4997 10.5567 10.5567 11.3034 11.3034 11.3757 11.3757 11.7314 11.7314 11.7939 11.7939 12.5820 12.5820 12.7013 12.7013 13.1484 13.1484 13.2828 13.2828 k = 0.0972 0.5000 0.0972 ( 7594 PWs) bands (ev): -4.1379 -4.1379 -4.1366 -4.1366 -3.5383 -3.5383 -3.5337 -3.5337 0.0650 0.0650 0.1000 0.1000 0.7300 0.7300 0.7869 0.7869 3.8935 3.8935 3.9320 3.9320 4.2586 4.2586 4.3021 4.3021 4.4917 4.4917 4.5801 4.5801 5.0660 5.0660 5.1696 5.1696 5.3187 5.3187 5.4162 5.4162 5.6381 5.6381 5.7390 5.7390 5.9060 5.9060 6.0108 6.0108 6.2108 6.2108 6.2748 6.2748 6.5526 6.5526 6.6161 6.6161 6.7464 6.7464 6.9338 6.9338 7.1203 7.1203 7.1612 7.1612 7.4542 7.4542 7.5497 7.5497 7.6658 7.6658 7.8009 7.8009 7.9883 7.9883 8.0728 8.0728 8.3413 8.3413 8.3962 8.3962 8.5240 8.5240 8.6072 8.6072 10.5031 10.5031 10.5568 10.5568 11.3171 11.3171 11.3890 11.3890 11.7398 11.7398 11.7982 11.7982 12.6187 12.6187 12.7377 12.7377 13.1426 13.1426 13.2849 13.2849 k = 0.0833 0.5000 0.0833 ( 7602 PWs) bands (ev): -4.1460 -4.1460 -4.1448 -4.1448 -3.5348 -3.5348 -3.5304 -3.5304 0.0778 0.0778 0.1138 0.1138 0.7395 0.7395 0.7984 0.7984 3.8993 3.8993 3.9338 3.9338 4.2527 4.2527 4.2904 4.2904 4.4994 4.4994 4.5837 4.5837 5.0768 5.0768 5.1829 5.1829 5.3136 5.3136 5.4049 5.4049 5.6538 5.6538 5.7413 5.7413 5.8905 5.8905 6.0030 6.0030 6.2022 6.2022 6.2708 6.2708 6.5366 6.5366 6.6006 6.6006 6.7223 6.7223 6.9122 6.9122 7.1162 7.1162 7.1510 7.1510 7.4545 7.4545 7.5507 7.5507 7.6518 7.6518 7.7877 7.7877 7.9826 7.9826 8.0594 8.0594 8.3495 8.3495 8.4042 8.4042 8.5210 8.5210 8.5917 8.5917 10.5065 10.5065 10.5566 10.5566 11.3295 11.3295 11.3997 11.3997 11.7483 11.7483 11.8023 11.8023 12.6518 12.6518 12.7703 12.7703 13.1380 13.1380 13.2862 13.2862 k = 0.0694 0.5000 0.0694 ( 7594 PWs) bands (ev): -4.1529 -4.1529 -4.1518 -4.1518 -3.5318 -3.5318 -3.5275 -3.5275 0.0889 0.0889 0.1258 0.1258 0.7474 0.7474 0.8080 0.8080 3.9042 3.9042 3.9340 3.9340 4.2478 4.2478 4.2792 4.2792 4.5076 4.5076 4.5855 4.5855 5.0863 5.0863 5.1924 5.1924 5.3114 5.3114 5.3943 5.3943 5.6727 5.6727 5.7461 5.7461 5.8764 5.8764 5.9968 5.9968 6.1971 6.1971 6.2725 6.2725 6.5201 6.5201 6.5833 6.5833 6.7005 6.7005 6.8908 6.8908 7.1128 7.1128 7.1419 7.1419 7.4556 7.4556 7.5482 7.5482 7.6427 7.6427 7.7732 7.7732 7.9758 7.9758 8.0444 8.0444 8.3576 8.3576 8.4109 8.4109 8.5199 8.5199 8.5821 8.5821 10.5096 10.5096 10.5564 10.5564 11.3403 11.3403 11.4076 11.4076 11.7566 11.7566 11.8063 11.8063 12.6806 12.6806 12.7976 12.7976 13.1355 13.1355 13.2864 13.2864 k = 0.0556 0.5000 0.0556 ( 7582 PWs) bands (ev): -4.1586 -4.1586 -4.1575 -4.1575 -3.5292 -3.5292 -3.5252 -3.5252 0.0983 0.0983 0.1360 0.1360 0.7538 0.7538 0.8159 0.8159 3.9085 3.9085 3.9329 3.9329 4.2441 4.2441 4.2692 4.2692 4.5160 4.5160 4.5855 4.5855 5.0944 5.0944 5.1976 5.1976 5.3126 5.3126 5.3844 5.3844 5.6914 5.6914 5.7521 5.7521 5.8658 5.8658 5.9911 5.9911 6.1953 6.1953 6.2798 6.2798 6.5033 6.5033 6.5629 6.5629 6.6834 6.6834 6.8705 6.8705 7.1100 7.1100 7.1339 7.1339 7.4579 7.4579 7.5415 7.5415 7.6399 7.6399 7.7575 7.7575 7.9688 7.9688 8.0299 8.0299 8.3659 8.3659 8.4151 8.4151 8.5195 8.5195 8.5775 8.5775 10.5125 10.5125 10.5561 10.5561 11.3494 11.3494 11.4130 11.4130 11.7647 11.7647 11.8098 11.8098 12.7048 12.7048 12.8190 12.8190 13.1354 13.1354 13.2856 13.2856 k = 0.0417 0.5000 0.0417 ( 7598 PWs) bands (ev): -4.1630 -4.1630 -4.1621 -4.1621 -3.5273 -3.5273 -3.5233 -3.5233 0.1057 0.1057 0.1440 0.1440 0.7587 0.7587 0.8220 0.8220 3.9122 3.9122 3.9309 3.9309 4.2418 4.2418 4.2606 4.2606 4.5244 4.5244 4.5838 4.5838 5.1014 5.1014 5.1992 5.1992 5.3166 5.3166 5.3753 5.3753 5.7071 5.7071 5.7577 5.7577 5.8606 5.8606 5.9854 5.9854 6.1958 6.1958 6.2923 6.2923 6.4864 6.4864 6.5404 6.5404 6.6718 6.6718 6.8522 6.8522 7.1081 7.1081 7.1272 7.1272 7.4616 7.4616 7.5316 7.5316 7.6430 7.6430 7.7410 7.7410 7.9625 7.9625 8.0174 8.0174 8.3742 8.3742 8.4164 8.4164 8.5198 8.5198 8.5762 8.5762 10.5151 10.5151 10.5558 10.5558 11.3569 11.3569 11.4161 11.4161 11.7719 11.7719 11.8127 11.8127 12.7240 12.7240 12.8341 12.8341 13.1377 13.1377 13.2838 13.2838 k = 0.0278 0.5000 0.0278 ( 7606 PWs) bands (ev): -4.1662 -4.1662 -4.1653 -4.1653 -3.5258 -3.5258 -3.5220 -3.5220 0.1111 0.1111 0.1498 0.1498 0.7622 0.7622 0.8263 0.8263 3.9156 3.9156 3.9283 3.9283 4.2411 4.2411 4.2535 4.2535 4.5319 4.5319 4.5811 4.5811 5.1069 5.1069 5.1986 5.1986 5.3221 5.3221 5.3672 5.3672 5.7185 5.7185 5.7608 5.7608 5.8613 5.8613 5.9798 5.9798 6.1977 6.1977 6.3083 6.3083 6.4693 6.4693 6.5194 6.5194 6.6653 6.6653 6.8375 6.8375 7.1070 7.1070 7.1219 7.1219 7.4662 7.4662 7.5207 7.5207 7.6503 7.6503 7.7249 7.7249 7.9575 7.9575 8.0080 8.0080 8.3820 8.3820 8.4153 8.4153 8.5204 8.5204 8.5764 8.5764 10.5170 10.5170 10.5556 10.5556 11.3625 11.3625 11.4178 11.4178 11.7777 11.7777 11.8147 11.8147 12.7380 12.7380 12.8436 12.8436 13.1411 13.1411 13.2818 13.2818 k = 0.0139 0.5000 0.0139 ( 7606 PWs) bands (ev): -4.1682 -4.1682 -4.1672 -4.1672 -3.5250 -3.5250 -3.5212 -3.5212 0.1144 0.1144 0.1533 0.1533 0.7643 0.7643 0.8289 0.8289 3.9187 3.9187 3.9255 3.9255 4.2418 4.2418 4.2480 4.2480 4.5376 4.5376 4.5784 4.5784 5.1105 5.1105 5.1975 5.1975 5.3274 5.3274 5.3609 5.3609 5.7255 5.7255 5.7612 5.7612 5.8650 5.8650 5.9754 5.9754 6.1994 6.1994 6.3236 6.3236 6.4539 6.4539 6.5049 6.5049 6.6623 6.6623 6.8279 6.8279 7.1066 7.1066 7.1184 7.1184 7.4710 7.4710 7.5116 7.5116 7.6588 7.6588 7.7112 7.7112 7.9544 7.9544 8.0022 8.0022 8.3882 8.3882 8.4130 8.4130 8.5211 8.5211 8.5770 8.5770 10.5183 10.5183 10.5554 10.5554 11.3660 11.3660 11.4184 11.4184 11.7816 11.7816 11.8158 11.8158 12.7466 12.7466 12.8485 12.8485 13.1442 13.1442 13.2801 13.2801 k = 0.0000 0.5000-0.0000 ( 7624 PWs) bands (ev): -4.1688 -4.1688 -4.1679 -4.1679 -3.5247 -3.5247 -3.5209 -3.5209 0.1155 0.1155 0.1545 0.1545 0.7650 0.7650 0.8298 0.8298 3.9207 3.9207 3.9235 3.9235 4.2437 4.2437 4.2445 4.2445 4.5398 4.5398 4.5772 4.5772 5.1118 5.1118 5.1969 5.1969 5.3297 5.3297 5.3582 5.3582 5.7279 5.7279 5.7609 5.7609 5.8670 5.8670 5.9736 5.9736 6.2001 6.2001 6.3305 6.3305 6.4469 6.4469 6.4999 6.4999 6.6614 6.6614 6.8245 6.8245 7.1066 7.1066 7.1171 7.1171 7.4734 7.4734 7.5077 7.5077 7.6633 7.6633 7.7050 7.7050 7.9533 7.9533 8.0003 8.0003 8.3908 8.3908 8.4116 8.4116 8.5214 8.5214 8.5772 8.5772 10.5187 10.5187 10.5554 10.5554 11.3672 11.3672 11.4185 11.4185 11.7829 11.7829 11.8162 11.8162 12.7495 12.7495 12.8500 12.8500 13.1454 13.1454 13.2794 13.2794 k = 0.5000 0.5000-0.0000 ( 7660 PWs) bands (ev): -3.9321 -3.9321 -3.9321 -3.9321 -3.6630 -3.6630 -3.6630 -3.6630 -0.1587 -0.1587 -0.1587 -0.1587 0.6417 0.6417 0.6417 0.6417 3.9086 3.9086 3.9086 3.9086 3.9866 3.9866 3.9866 3.9866 4.6607 4.6607 4.6607 4.6607 4.7996 4.7996 4.7996 4.7996 5.6881 5.6881 5.6881 5.6881 5.8282 5.8282 5.8282 5.8282 6.3192 6.3192 6.3192 6.3192 6.5165 6.5165 6.5165 6.5165 6.7828 6.7828 6.7828 6.7828 6.8328 6.8328 6.8328 6.8328 7.1945 7.1945 7.1945 7.1945 7.2992 7.2992 7.2992 7.2992 7.7404 7.7404 7.7404 7.7404 7.8639 7.8639 7.8639 7.8639 8.8758 8.8758 8.8758 8.8758 9.0400 9.0400 9.0400 9.0400 10.8022 10.8022 10.8022 10.8022 11.0115 11.0115 11.0115 11.0115 11.3191 11.3191 11.3191 11.3191 11.9284 11.9284 11.9284 11.9284 13.3400 13.3400 13.3400 13.3400 k = 0.5000 0.5000 0.0200 ( 7608 PWs) bands (ev): -3.9316 -3.9316 -3.9315 -3.9315 -3.6630 -3.6630 -3.6628 -3.6628 -0.1593 -0.1593 -0.1591 -0.1591 0.6393 0.6393 0.6396 0.6396 3.9065 3.9065 3.9104 3.9104 3.9842 3.9842 3.9883 3.9883 4.6563 4.6563 4.6667 4.6667 4.7980 4.7980 4.8022 4.8022 5.6800 5.6800 5.6976 5.6976 5.8281 5.8281 5.8288 5.8288 6.3213 6.3213 6.3217 6.3217 6.5144 6.5144 6.5216 6.5216 6.7722 6.7722 6.7885 6.7885 6.8304 6.8304 6.8454 6.8454 7.1898 7.1898 7.1984 7.1984 7.2928 7.2928 7.3063 7.3063 7.7340 7.7340 7.7452 7.7452 7.8620 7.8620 7.8651 7.8651 8.8708 8.8708 8.8791 8.8791 9.0363 9.0363 9.0407 9.0407 10.8001 10.8001 10.8013 10.8013 10.9847 10.9847 11.0089 11.0089 11.3248 11.3248 11.3450 11.3450 11.9249 11.9249 11.9318 11.9318 13.3408 13.3408 13.3453 13.3453 k = 0.5000 0.5000 0.0400 ( 7596 PWs) bands (ev): -3.9302 -3.9302 -3.9299 -3.9299 -3.6629 -3.6629 -3.6626 -3.6626 -0.1607 -0.1607 -0.1604 -0.1604 0.6323 0.6323 0.6329 0.6329 3.9041 3.9041 3.9117 3.9117 3.9811 3.9811 3.9893 3.9893 4.6535 4.6535 4.6741 4.6741 4.7976 4.7976 4.8057 4.8057 5.6735 5.6735 5.7083 5.7083 5.8286 5.8286 5.8299 5.8299 6.3278 6.3278 6.3285 6.3285 6.5153 6.5153 6.5296 6.5296 6.7593 6.7593 6.7913 6.7913 6.8361 6.8361 6.8658 6.8658 7.1846 7.1846 7.2011 7.2011 7.2880 7.2880 7.3134 7.3134 7.7261 7.7261 7.7486 7.7486 7.8596 7.8596 7.8655 7.8655 8.8639 8.8639 8.8806 8.8806 9.0297 9.0297 9.0385 9.0385 10.7949 10.7949 10.7975 10.7975 10.9392 10.9392 10.9794 10.9794 11.3598 11.3598 11.3916 11.3916 11.9212 11.9212 11.9349 11.9349 13.3479 13.3479 13.3564 13.3564 k = 0.5000 0.5000 0.0600 ( 7596 PWs) bands (ev): -3.9277 -3.9277 -3.9274 -3.9274 -3.6627 -3.6627 -3.6622 -3.6622 -0.1631 -0.1631 -0.1625 -0.1625 0.6208 0.6208 0.6218 0.6218 3.9015 3.9015 3.9127 3.9127 3.9775 3.9775 3.9895 3.9895 4.6523 4.6523 4.6830 4.6830 4.7983 4.7983 4.8100 4.8100 5.6689 5.6689 5.7199 5.7199 5.8297 5.8297 5.8317 5.8317 6.3385 6.3385 6.3394 6.3394 6.5190 6.5190 6.5402 6.5402 6.7473 6.7473 6.7941 6.7941 6.8468 6.8468 6.8902 6.8902 7.1792 7.1792 7.2024 7.2024 7.2855 7.2855 7.3201 7.3201 7.7167 7.7167 7.7511 7.7511 7.8570 7.8570 7.8652 7.8652 8.8554 8.8554 8.8802 8.8802 9.0202 9.0202 9.0334 9.0334 10.7854 10.7854 10.7902 10.7902 10.8854 10.8854 10.9351 10.9351 11.4124 11.4124 11.4489 11.4489 11.9174 11.9174 11.9378 11.9378 13.3610 13.3610 13.3723 13.3723 k = 0.5000 0.5000 0.0800 ( 7596 PWs) bands (ev): -3.9243 -3.9243 -3.9238 -3.9238 -3.6624 -3.6624 -3.6618 -3.6618 -0.1661 -0.1661 -0.1654 -0.1654 0.6052 0.6052 0.6064 0.6064 3.8988 3.8988 3.9131 3.9131 3.9733 3.9733 3.9891 3.9891 4.6526 4.6526 4.6932 4.6932 4.8002 4.8002 4.8152 4.8152 5.6662 5.6662 5.7320 5.7320 5.8317 5.8317 5.8344 5.8344 6.3529 6.3529 6.3537 6.3537 6.5253 6.5253 6.5530 6.5530 6.7381 6.7381 6.7982 6.7982 6.8612 6.8612 6.9163 6.9163 7.1737 7.1737 7.2023 7.2023 7.2860 7.2860 7.3260 7.3260 7.7065 7.7065 7.7534 7.7534 7.8547 7.8547 7.8644 7.8644 8.8453 8.8453 8.8779 8.8779 9.0080 9.0080 9.0255 9.0255 10.7699 10.7699 10.7765 10.7765 10.8312 10.8312 10.8865 10.8865 11.4736 11.4736 11.5113 11.5113 11.9138 11.9138 11.9407 11.9407 13.3795 13.3795 13.3920 13.3920 k = 0.5000 0.5000 0.1000 ( 7596 PWs) bands (ev): -3.9199 -3.9199 -3.9193 -3.9193 -3.6620 -3.6620 -3.6613 -3.6613 -0.1699 -0.1699 -0.1689 -0.1689 0.5855 0.5855 0.5870 0.5870 3.8960 3.8960 3.9130 3.9130 3.9687 3.9687 3.9879 3.9879 4.6543 4.6543 4.7047 4.7047 4.8034 4.8034 4.8210 4.8210 5.6655 5.6655 5.7443 5.7443 5.8348 5.8348 5.8382 5.8382 6.3702 6.3702 6.3710 6.3710 6.5336 6.5336 6.5673 6.5673 6.7326 6.7326 6.8040 6.8040 6.8785 6.8785 6.9421 6.9421 7.1684 7.1684 7.2019 7.2019 7.2893 7.2893 7.3307 7.3307 7.6963 7.6963 7.7563 7.7563 7.8533 7.8533 7.8634 7.8634 8.8337 8.8337 8.8739 8.8739 8.9932 8.9932 9.0149 9.0149 10.7435 10.7435 10.7442 10.7442 10.7916 10.7916 10.8416 10.8416 11.5387 11.5387 11.5759 11.5759 11.9106 11.9106 11.9438 11.9438 13.4024 13.4024 13.4139 13.4139 k = 0.5000 0.5000 0.1200 ( 7596 PWs) bands (ev): -3.9145 -3.9145 -3.9138 -3.9138 -3.6617 -3.6617 -3.6608 -3.6608 -0.1741 -0.1741 -0.1730 -0.1730 0.5621 0.5621 0.5639 0.5639 3.8930 3.8930 3.9123 3.9123 3.9636 3.9636 3.9860 3.9860 4.6573 4.6573 4.7172 4.7172 4.8078 4.8078 4.8275 4.8275 5.6668 5.6668 5.7564 5.7564 5.8390 5.8390 5.8434 5.8434 6.3892 6.3892 6.3905 6.3905 6.5431 6.5431 6.5825 6.5825 6.7315 6.7315 6.8116 6.8116 6.8979 6.8979 6.9654 6.9654 7.1636 7.1636 7.2032 7.2032 7.2948 7.2948 7.3339 7.3339 7.6873 7.6873 7.7607 7.7607 7.8535 7.8535 7.8627 7.8627 8.8206 8.8206 8.8680 8.8680 8.9759 8.9759 9.0017 9.0017 10.6886 10.6886 10.7043 10.7043 10.7702 10.7702 10.8061 10.8061 11.6047 11.6047 11.6406 11.6406 11.9079 11.9079 11.9473 11.9473 13.4286 13.4286 13.4363 13.4363 k = 0.5000 0.5000 0.1400 ( 7604 PWs) bands (ev): -3.9083 -3.9083 -3.9075 -3.9075 -3.6613 -3.6613 -3.6604 -3.6604 -0.1787 -0.1787 -0.1774 -0.1774 0.5354 0.5354 0.5374 0.5374 3.8900 3.8900 3.9110 3.9110 3.9582 3.9582 3.9834 3.9834 4.6615 4.6615 4.7306 4.7306 4.8134 4.8134 4.8345 4.8345 5.6702 5.6702 5.7681 5.7681 5.8445 5.8445 5.8503 5.8503 6.4090 6.4090 6.4115 6.4115 6.5529 6.5529 6.5980 6.5980 6.7357 6.7357 6.8205 6.8205 6.9187 6.9187 6.9836 6.9836 7.1598 7.1598 7.2085 7.2085 7.3017 7.3017 7.3356 7.3356 7.6810 7.6810 7.7675 7.7675 7.8561 7.8561 7.8629 7.8629 8.8062 8.8062 8.8604 8.8604 8.9565 8.9565 8.9861 8.9861 10.6277 10.6277 10.6527 10.6527 10.7511 10.7511 10.7783 10.7783 11.6697 11.6697 11.7042 11.7042 11.9060 11.9060 11.9515 11.9515 13.4564 13.4564 13.4574 13.4574 k = 0.5000 0.5000 0.1600 ( 7608 PWs) bands (ev): -3.9013 -3.9013 -3.9003 -3.9003 -3.6611 -3.6611 -3.6600 -3.6600 -0.1834 -0.1834 -0.1820 -0.1820 0.5057 0.5057 0.5079 0.5079 3.8870 3.8870 3.9092 3.9092 3.9524 3.9524 3.9803 3.9803 4.6668 4.6668 4.7446 4.7446 4.8201 4.8201 4.8419 4.8419 5.6757 5.6757 5.7794 5.7794 5.8515 5.8515 5.8592 5.8592 6.4283 6.4283 6.4334 6.4334 6.5618 6.5618 6.6128 6.6128 6.7455 6.7455 6.8301 6.8301 6.9394 6.9394 6.9952 6.9952 7.1582 7.1582 7.2194 7.2194 7.3090 7.3090 7.3358 7.3358 7.6791 7.6791 7.7777 7.7777 7.8622 7.8622 7.8647 7.8647 8.7906 8.7906 8.8512 8.8512 8.9352 8.9352 8.9684 8.9684 10.5653 10.5653 10.5949 10.5949 10.7300 10.7300 10.7530 10.7530 11.7316 11.7316 11.7649 11.7649 11.9053 11.9053 11.9570 11.9570 13.4761 13.4761 13.4839 13.4839 k = 0.5000 0.5000 0.1800 ( 7596 PWs) bands (ev): -3.8934 -3.8934 -3.8923 -3.8923 -3.6610 -3.6610 -3.6598 -3.6598 -0.1881 -0.1881 -0.1865 -0.1865 0.4733 0.4733 0.4757 0.4757 3.8840 3.8840 3.9069 3.9069 3.9464 3.9464 3.9766 3.9766 4.6730 4.6730 4.7592 4.7592 4.8276 4.8276 4.8497 4.8497 5.6833 5.6833 5.7903 5.7903 5.8599 5.8599 5.8698 5.8698 6.4459 6.4459 6.4554 6.4554 6.5691 6.5691 6.6263 6.6263 6.7607 6.7607 6.8393 6.8393 6.9581 6.9581 6.9998 6.9998 7.1602 7.1602 7.2358 7.2358 7.3163 7.3163 7.3348 7.3348 7.6837 7.6837 7.7921 7.7921 7.8689 7.8689 7.8728 7.8728 8.7740 8.7740 8.8405 8.8405 8.9123 8.9123 8.9489 8.9489 10.5023 10.5023 10.5340 10.5340 10.7056 10.7056 10.7268 10.7268 11.7882 11.7882 11.8209 11.8209 11.9067 11.9067 11.9646 11.9646 13.4915 13.4915 13.5088 13.5088 k = 0.5000 0.5000 0.2000 ( 7596 PWs) bands (ev): -3.8848 -3.8848 -3.8837 -3.8837 -3.6611 -3.6611 -3.6598 -3.6598 -0.1925 -0.1925 -0.1908 -0.1908 0.4388 0.4388 0.4414 0.4414 3.8810 3.8810 3.9042 3.9042 3.9402 3.9402 3.9725 3.9725 4.6799 4.6799 4.7742 4.7742 4.8359 4.8359 4.8577 4.8577 5.6929 5.6929 5.8013 5.8013 5.8697 5.8697 5.8822 5.8822 6.4611 6.4611 6.4768 6.4768 6.5745 6.5745 6.6377 6.6377 6.7803 6.7803 6.8471 6.8471 6.9727 6.9727 6.9991 6.9991 7.1677 7.1677 7.2550 7.2550 7.3234 7.3234 7.3331 7.3331 7.6963 7.6963 7.8110 7.8110 7.8764 7.8764 7.8892 7.8892 8.7566 8.7566 8.8284 8.8284 8.8883 8.8883 8.9278 8.9278 10.4389 10.4389 10.4715 10.4715 10.6773 10.6773 10.6982 10.6982 11.8364 11.8364 11.8668 11.8668 11.9144 11.9144 11.9761 11.9761 13.5037 13.5037 13.5280 13.5280 k = 0.5000 0.5000 0.2200 ( 7596 PWs) bands (ev): -3.8756 -3.8756 -3.8743 -3.8743 -3.6615 -3.6615 -3.6601 -3.6601 -0.1964 -0.1964 -0.1945 -0.1945 0.4026 0.4026 0.4053 0.4053 3.8782 3.8782 3.9011 3.9011 3.9339 3.9339 3.9679 3.9679 4.6875 4.6875 4.7892 4.7892 4.8448 4.8448 4.8659 4.8659 5.7046 5.7046 5.8127 5.8127 5.8811 5.8811 5.8961 5.8961 6.4730 6.4730 6.4967 6.4967 6.5779 6.5779 6.6464 6.6464 6.8024 6.8024 6.8523 6.8523 6.9817 6.9817 6.9954 6.9954 7.1819 7.1819 7.2735 7.2735 7.3316 7.3316 7.3317 7.3317 7.7178 7.7178 7.8345 7.8345 7.8885 7.8885 7.9126 7.9126 8.7385 8.7385 8.8152 8.8152 8.8635 8.8635 8.9055 8.9055 10.3755 10.3755 10.4083 10.4083 10.6448 10.6448 10.6663 10.6663 11.8731 11.8731 11.8893 11.8893 11.9408 11.9408 11.9934 11.9934 13.5125 13.5125 13.5377 13.5377 k = 0.5000 0.5000 0.2400 ( 7604 PWs) bands (ev): -3.8658 -3.8658 -3.8644 -3.8644 -3.6622 -3.6622 -3.6607 -3.6607 -0.1996 -0.1996 -0.1976 -0.1976 0.3650 0.3650 0.3678 0.3678 3.8754 3.8754 3.8977 3.8977 3.9276 3.9276 3.9631 3.9631 4.6954 4.6954 4.8042 4.8042 4.8539 4.8539 4.8740 4.8740 5.7183 5.7183 5.8247 5.8247 5.8940 5.8940 5.9113 5.9113 6.4814 6.4814 6.5144 6.5144 6.5794 6.5794 6.6516 6.6516 6.8246 6.8246 6.8547 6.8547 6.9849 6.9849 6.9905 6.9905 7.2024 7.2024 7.2878 7.2878 7.3312 7.3312 7.3430 7.3430 7.7482 7.7482 7.8613 7.8613 7.9070 7.9070 7.9438 7.9438 8.7201 8.7201 8.8009 8.8009 8.8385 8.8385 8.8825 8.8825 10.3119 10.3119 10.3446 10.3446 10.6076 10.6076 10.6305 10.6305 11.8961 11.8961 11.8970 11.8970 11.9771 11.9771 12.0164 12.0164 13.5175 13.5175 13.5396 13.5396 k = 0.5000 0.5000 0.2600 ( 7604 PWs) bands (ev): -3.8555 -3.8555 -3.8540 -3.8540 -3.6633 -3.6633 -3.6617 -3.6617 -0.2018 -0.2018 -0.1996 -0.1996 0.3264 0.3264 0.3293 0.3293 3.8728 3.8728 3.8942 3.8942 3.9213 3.9213 3.9582 3.9582 4.7036 4.7036 4.8189 4.8189 4.8632 4.8632 4.8821 4.8821 5.7340 5.7340 5.8378 5.8378 5.9082 5.9082 5.9275 5.9275 6.4859 6.4859 6.5287 6.5287 6.5789 6.5789 6.6526 6.6526 6.8449 6.8449 6.8548 6.8548 6.9838 6.9838 6.9852 6.9852 7.2278 7.2278 7.2973 7.2973 7.3331 7.3331 7.3576 7.3576 7.7864 7.7864 7.8895 7.8895 7.9343 7.9343 7.9833 7.9833 8.7016 8.7016 8.7858 8.7858 8.8138 8.8138 8.8592 8.8592 10.2485 10.2485 10.2809 10.2809 10.5655 10.5655 10.5905 10.5905 11.8999 11.8999 11.9112 11.9112 12.0101 12.0101 12.0414 12.0414 13.5176 13.5176 13.5368 13.5368 k = 0.5000 0.5000 0.2800 ( 7604 PWs) bands (ev): -3.8447 -3.8447 -3.8432 -3.8432 -3.6648 -3.6648 -3.6631 -3.6631 -0.2028 -0.2028 -0.2005 -0.2005 0.2873 0.2873 0.2903 0.2903 3.8703 3.8703 3.8906 3.8906 3.9150 3.9150 3.9531 3.9531 4.7119 4.7119 4.8331 4.8331 4.8723 4.8723 4.8900 4.8900 5.7517 5.7517 5.8522 5.8522 5.9237 5.9237 5.9447 5.9447 6.4866 6.4866 6.5387 6.5387 6.5762 6.5762 6.6491 6.6491 6.8542 6.8542 6.8615 6.8615 6.9792 6.9792 6.9801 6.9801 7.2557 7.2557 7.3042 7.3042 7.3382 7.3382 7.3735 7.3735 7.8311 7.8311 7.9180 7.9180 7.9710 7.9710 8.0310 8.0310 8.6835 8.6835 8.7702 8.7702 8.7901 8.7901 8.8363 8.8363 10.1856 10.1856 10.2175 10.2175 10.5185 10.5185 10.5459 10.5459 11.9034 11.9034 11.9196 11.9196 12.0366 12.0366 12.0639 12.0639 13.5117 13.5117 13.5290 13.5290 k = 0.5000 0.5000 0.3000 ( 7612 PWs) bands (ev): -3.8337 -3.8337 -3.8320 -3.8320 -3.6669 -3.6669 -3.6651 -3.6651 -0.2023 -0.2023 -0.2000 -0.2000 0.2481 0.2481 0.2512 0.2512 3.8681 3.8681 3.8870 3.8870 3.9089 3.9089 3.9481 3.9481 4.7201 4.7201 4.8468 4.8468 4.8812 4.8812 4.8974 4.8974 5.7711 5.7711 5.8680 5.8680 5.9403 5.9403 5.9626 5.9626 6.4835 6.4835 6.5432 6.5432 6.5711 6.5711 6.6413 6.6413 6.8544 6.8544 6.8736 6.8736 6.9725 6.9725 6.9751 6.9751 7.2842 7.2842 7.3110 7.3110 7.3470 7.3470 7.3887 7.3887 7.8807 7.8807 7.9478 7.9478 8.0151 8.0151 8.0859 8.0859 8.6662 8.6662 8.7541 8.7541 8.7681 8.7681 8.8146 8.8146 10.1235 10.1235 10.1550 10.1550 10.4665 10.4665 10.4967 10.4967 11.9073 11.9073 11.9251 11.9251 12.0561 12.0561 12.0809 12.0809 13.4993 13.4993 13.5159 13.5159 k = 0.5000 0.5000 0.3200 ( 7580 PWs) bands (ev): -3.8223 -3.8223 -3.8206 -3.8206 -3.6695 -3.6695 -3.6677 -3.6677 -0.2003 -0.2003 -0.1978 -0.1978 0.2091 0.2091 0.2122 0.2122 3.8661 3.8661 3.8835 3.8835 3.9030 3.9030 3.9432 3.9432 4.7281 4.7281 4.8597 4.8597 4.8895 4.8895 4.9044 4.9044 5.7922 5.7922 5.8852 5.8852 5.9576 5.9576 5.9810 5.9810 6.4769 6.4769 6.5413 6.5413 6.5632 6.5632 6.6301 6.6301 6.8565 6.8565 6.8816 6.8816 6.9650 6.9650 6.9696 6.9696 7.3119 7.3119 7.3189 7.3189 7.3593 7.3593 7.4023 7.4023 7.9335 7.9335 7.9803 7.9803 8.0633 8.0633 8.1466 8.1466 8.6504 8.6504 8.7377 8.7377 8.7486 8.7486 8.7949 8.7949 10.0630 10.0630 10.0940 10.0940 10.4096 10.4096 10.4429 10.4429 11.9117 11.9117 11.9291 11.9291 12.0685 12.0685 12.0915 12.0915 13.4816 13.4816 13.4990 13.4990 k = 0.5000 0.5000 0.3400 ( 7600 PWs) bands (ev): -3.8108 -3.8108 -3.8090 -3.8090 -3.6728 -3.6728 -3.6709 -3.6709 -0.1964 -0.1964 -0.1939 -0.1939 0.1706 0.1706 0.1738 0.1738 3.8645 3.8645 3.8801 3.8801 3.8974 3.8974 3.9385 3.9385 4.7357 4.7357 4.8717 4.8717 4.8973 4.8973 4.9108 4.9108 5.8147 5.8147 5.9038 5.9038 5.9755 5.9755 5.9996 5.9996 6.4675 6.4675 6.5326 6.5326 6.5526 6.5526 6.6168 6.6168 6.8606 6.8606 6.8866 6.8866 6.9571 6.9571 6.9637 6.9637 7.3279 7.3279 7.3376 7.3376 7.3746 7.3746 7.4141 7.4141 7.9880 7.9880 8.0156 8.0156 8.1128 8.1128 8.2110 8.2110 8.6370 8.6370 8.7212 8.7212 8.7324 8.7324 8.7781 8.7781 10.0051 10.0051 10.0357 10.0357 10.3483 10.3483 10.3847 10.3847 11.9169 11.9169 11.9327 11.9327 12.0746 12.0746 12.0956 12.0956 13.4613 13.4613 13.4800 13.4800 k = 0.5000 0.5000 0.3600 ( 7600 PWs) bands (ev): -3.7993 -3.7993 -3.7974 -3.7974 -3.6768 -3.6768 -3.6748 -3.6748 -0.1906 -0.1906 -0.1879 -0.1879 0.1331 0.1331 0.1362 0.1362 3.8632 3.8632 3.8770 3.8770 3.8920 3.8920 3.9342 3.9342 4.7428 4.7428 4.8828 4.8828 4.9044 4.9044 4.9164 4.9164 5.8383 5.8383 5.9236 5.9236 5.9934 5.9934 6.0179 6.0179 6.4557 6.4557 6.5179 6.5179 6.5391 6.5391 6.6023 6.6023 6.8664 6.8664 6.8898 6.8898 6.9494 6.9494 6.9574 6.9574 7.3379 7.3379 7.3609 7.3609 7.3915 7.3915 7.4241 7.4241 8.0423 8.0423 8.0529 8.0529 8.1604 8.1604 8.2769 8.2769 8.6272 8.6272 8.7048 8.7048 8.7200 8.7200 8.7650 8.7650 9.9511 9.9511 9.9812 9.9812 10.2833 10.2833 10.3228 10.3228 11.9229 11.9229 11.9364 11.9364 12.0749 12.0749 12.0938 12.0938 13.4409 13.4409 13.4609 13.4609 k = 0.5000 0.5000 0.3800 ( 7600 PWs) bands (ev): -3.7878 -3.7878 -3.7858 -3.7858 -3.6814 -3.6814 -3.6794 -3.6794 -0.1826 -0.1826 -0.1799 -0.1799 0.0966 0.0966 0.0998 0.0998 3.8623 3.8623 3.8742 3.8742 3.8870 3.8870 3.9302 3.9302 4.7492 4.7492 4.8928 4.8928 4.9106 4.9106 4.9212 4.9212 5.8626 5.8626 5.9446 5.9446 6.0107 6.0107 6.0353 6.0353 6.4427 6.4427 6.4991 6.4991 6.5232 6.5232 6.5867 6.5867 6.8732 6.8732 6.8924 6.8924 6.9423 6.9423 6.9509 6.9509 7.3484 7.3484 7.3817 7.3817 7.4085 7.4085 7.4325 7.4325 8.0911 8.0911 8.0945 8.0945 8.2028 8.2028 8.3418 8.3418 8.6223 8.6223 8.6893 8.6893 8.7120 8.7120 8.7556 8.7556 9.9026 9.9026 9.9324 9.9324 10.2155 10.2155 10.2578 10.2578 11.9299 11.9299 11.9410 11.9410 12.0705 12.0705 12.0870 12.0870 13.4223 13.4223 13.4432 13.4432 k = 0.5000 0.5000 0.4000 ( 7600 PWs) bands (ev): -3.7764 -3.7764 -3.7744 -3.7744 -3.6868 -3.6868 -3.6848 -3.6848 -0.1724 -0.1724 -0.1695 -0.1695 0.0617 0.0617 0.0648 0.0648 3.8617 3.8617 3.8718 3.8718 3.8824 3.8824 3.9267 3.9267 4.7548 4.7548 4.9018 4.9018 4.9160 4.9160 4.9251 4.9251 5.8869 5.8869 5.9662 5.9662 6.0266 6.0266 6.0508 6.0508 6.4298 6.4298 6.4787 6.4787 6.5053 6.5053 6.5703 6.5703 6.8805 6.8805 6.8950 6.8950 6.9360 6.9360 6.9442 6.9442 7.3586 7.3586 7.4002 7.4002 7.4239 7.4239 7.4393 7.4393 8.1286 8.1286 8.1424 8.1424 8.2367 8.2367 8.4033 8.4033 8.6235 8.6235 8.6758 8.6758 8.7082 8.7082 8.7495 8.7495 9.8619 9.8619 9.8914 9.8914 10.1462 10.1462 10.1911 10.1911 11.9379 11.9379 11.9467 11.9467 12.0623 12.0623 12.0763 12.0763 13.4069 13.4069 13.4277 13.4277 k = 0.5000 0.5000 0.4200 ( 7616 PWs) bands (ev): -3.7653 -3.7653 -3.7632 -3.7632 -3.6929 -3.6929 -3.6908 -3.6908 -0.1597 -0.1597 -0.1568 -0.1568 0.0283 0.0283 0.0315 0.0315 3.8616 3.8616 3.8698 3.8698 3.8782 3.8782 3.9238 3.9238 4.7595 4.7595 4.9095 4.9095 4.9204 4.9204 4.9280 4.9280 5.9105 5.9105 5.9881 5.9881 6.0402 6.0402 6.0634 6.0634 6.4185 6.4185 6.4590 6.4590 6.4861 6.4861 6.5538 6.5538 6.8878 6.8878 6.8979 6.8979 6.9305 6.9305 6.9376 6.9376 7.3681 7.3681 7.4165 7.4165 7.4368 7.4368 7.4448 7.4448 8.1638 8.1638 8.1839 8.1839 8.2602 8.2602 8.4589 8.4589 8.6313 8.6313 8.6659 8.6659 8.7076 8.7076 8.7452 8.7452 9.8315 9.8315 9.8607 9.8607 10.0772 10.0772 10.1245 10.1245 11.9472 11.9472 11.9539 11.9539 12.0514 12.0514 12.0628 12.0628 13.3955 13.3955 13.4151 13.4151 k = 0.5000 0.5000 0.4400 ( 7616 PWs) bands (ev): -3.7544 -3.7544 -3.7523 -3.7523 -3.6997 -3.6997 -3.6976 -3.6976 -0.1447 -0.1447 -0.1417 -0.1417 -0.0031 -0.0031 0.0000 0.0000 3.8620 3.8620 3.8681 3.8681 3.8744 3.8744 3.9214 3.9214 4.7633 4.7633 4.9160 4.9160 4.9239 4.9239 4.9298 4.9298 5.9321 5.9321 6.0096 6.0096 6.0506 6.0506 6.0716 6.0716 6.4105 6.4105 6.4418 6.4418 6.4666 6.4666 6.5382 6.5382 6.8947 6.8947 6.9013 6.9013 6.9257 6.9257 6.9313 6.9313 7.3761 7.3761 7.4302 7.4302 7.4465 7.4465 7.4489 7.4489 8.1953 8.1953 8.2173 8.2173 8.2730 8.2730 8.5055 8.5055 8.6445 8.6445 8.6616 8.6616 8.7082 8.7082 8.7405 8.7405 9.8138 9.8138 9.8425 9.8425 10.0107 10.0107 10.0603 10.0603 11.9577 11.9577 11.9627 11.9627 12.0385 12.0385 12.0476 12.0476 13.3884 13.3884 13.4055 13.4055 k = 0.5000 0.5000 0.4600 ( 7608 PWs) bands (ev): -3.7440 -3.7440 -3.7418 -3.7418 -3.7072 -3.7072 -3.7052 -3.7052 -0.1272 -0.1272 -0.1241 -0.1241 -0.0325 -0.0325 -0.0294 -0.0294 3.8629 3.8629 3.8670 3.8670 3.8711 3.8711 3.9197 3.9197 4.7661 4.7661 4.9214 4.9214 4.9264 4.9264 4.9305 4.9305 5.9502 5.9502 6.0298 6.0298 6.0575 6.0575 6.0744 6.0744 6.4073 6.4073 6.4289 6.4289 6.4479 6.4479 6.5252 6.5252 6.9009 6.9009 6.9053 6.9053 6.9214 6.9214 6.9253 6.9253 7.3824 7.3824 7.4413 7.4413 7.4517 7.4517 7.4526 7.4526 8.2223 8.2223 8.2414 8.2414 8.2762 8.2762 8.5394 8.5394 8.6609 8.6609 8.6660 8.6660 8.7072 8.7072 8.7329 8.7329 9.8110 9.8110 9.8380 9.8380 9.9491 9.9491 10.0019 10.0019 11.9694 11.9694 11.9734 11.9734 12.0245 12.0245 12.0317 12.0317 13.3858 13.3858 13.3988 13.3988 k = 0.5000 0.5000 0.4800 ( 7608 PWs) bands (ev): -3.7341 -3.7341 -3.7317 -3.7317 -3.7153 -3.7153 -3.7134 -3.7134 -0.1073 -0.1073 -0.1041 -0.1041 -0.0596 -0.0596 -0.0566 -0.0566 3.8642 3.8642 3.8662 3.8662 3.8683 3.8683 3.9187 3.9187 4.7677 4.7677 4.9255 4.9255 4.9279 4.9279 4.9300 4.9300 5.9625 5.9625 6.0477 6.0477 6.0609 6.0609 6.0711 6.0711 6.4099 6.4099 6.4209 6.4209 6.4313 6.4313 6.5165 6.5165 6.9063 6.9063 6.9097 6.9097 6.9172 6.9172 6.9197 6.9197 7.3863 7.3863 7.4493 7.4493 7.4534 7.4534 7.4551 7.4551 8.2441 8.2441 8.2559 8.2559 8.2716 8.2716 8.5579 8.5579 8.6777 8.6777 8.6795 8.6795 8.7022 8.7022 8.7207 8.7207 9.8242 9.8242 9.8455 9.8455 9.8956 9.8956 9.9551 9.9551 11.9822 11.9822 11.9855 11.9855 12.0102 12.0102 12.0161 12.0161 13.3876 13.3876 13.3950 13.3950 k = 0.5000 0.5000 0.5000 ( 7568 PWs) bands (ev): -3.7265 -3.7265 -3.7223 -3.7223 -3.7223 -3.7223 -3.7223 -3.7223 -0.0877 -0.0877 -0.0815 -0.0815 -0.0815 -0.0815 -0.0815 -0.0815 3.8660 3.8660 3.8660 3.8660 3.8660 3.8660 3.9183 3.9183 4.7683 4.7683 4.9284 4.9284 4.9284 4.9284 4.9284 4.9284 5.9670 5.9670 6.0619 6.0619 6.0619 6.0619 6.0619 6.0619 6.4182 6.4182 6.4182 6.4182 6.4182 6.4182 6.5134 6.5134 6.9095 6.9095 6.9145 6.9145 6.9145 6.9145 6.9145 6.9145 7.3876 7.3876 7.4539 7.4539 7.4539 7.4539 7.4539 7.4539 8.2607 8.2607 8.2607 8.2607 8.2607 8.2607 8.5634 8.5634 8.6921 8.6921 8.6921 8.6921 8.6921 8.6921 8.7095 8.7095 9.8530 9.8530 9.8530 9.8530 9.8530 9.8530 9.9341 9.9341 11.9959 11.9959 11.9959 11.9959 11.9959 11.9959 12.0045 12.0045 13.3937 13.3937 13.3937 13.3937 Writing output data file SbPtSe.save init_run : 5.09s CPU 11.47s WALL ( 1 calls) electrons : 2517.76s CPU 2565.17s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.35s CPU 1.52s WALL ( 1 calls) Called by electrons: c_bands : 2517.74s CPU 2564.94s WALL ( 1 calls) v_of_rho : 0.10s CPU 0.93s WALL ( 1 calls) v_h : 0.01s CPU 0.05s WALL ( 1 calls) v_xc : 0.09s CPU 0.62s WALL ( 1 calls) newd : 1.33s CPU 1.43s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.15s WALL ( 196 calls) cegterg : 2409.37s CPU 2453.21s WALL ( 493 calls) Called by sum_band: Called by *egterg: h_psi : 972.41s CPU 1007.48s WALL ( 9132 calls) s_psi : 124.84s CPU 125.11s WALL ( 9132 calls) g_psi : 1.75s CPU 1.77s WALL ( 8443 calls) cdiaghg : 976.25s CPU 977.42s WALL ( 8639 calls) cegterg:over : 205.71s CPU 207.77s WALL ( 8443 calls) cegterg:upda : 65.13s CPU 66.31s WALL ( 8443 calls) cegterg:last : 48.72s CPU 49.28s WALL ( 1473 calls) Called by h_psi: h_psi:vloc : 727.22s CPU 755.97s WALL ( 9132 calls) h_psi:vnl : 243.86s CPU 249.40s WALL ( 9132 calls) add_vuspsi : 97.81s CPU 102.61s WALL ( 9132 calls) General routines calbec : 145.99s CPU 146.66s WALL ( 9132 calls) fft : 0.36s CPU 1.12s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 683.90s CPU 706.47s WALL ( 1856076 calls) interpolate : 0.10s CPU 0.11s WALL ( 4 calls) davcio : 0.03s CPU 2.52s WALL ( 392 calls) Parallel routines fft_scatter : 429.59s CPU 448.60s WALL ( 1856099 calls) PWSCF : 43m24.88s CPU 46m29.51s WALL This run was terminated on: 3: 4:11 20Dec2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=