Program PWSCF v.5.1.1 starts on 20Dec2015 at 0:24:49 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: ./SbPdSe.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Pd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D 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 106 35 10 5688 1071 168 Max 107 36 11 5696 1087 173 Sum 5089 1685 489 273209 51867 8121 bravais-lattice index = 14 lattice parameter (alat) = 11.9487 a.u. unit-cell volume = 1705.9490 (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 = 37.0000 Ry charge density cutoff = 448.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.948737 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 Pd read from file: /home/autes/Pseudo/Pd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: c739162b63f03a64c3c1b37175d261f3 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 1235 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) Pd 10.00 106.42000 Pd( 1.00) 3 Sym. Ops. (no inversion) found (note: 9 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 = 2 120 deg rotation - cart. axis [-1,-1,-1] cryst. s( 2) = ( 0 0 1 ) ( 1 0 0 ) ( 0 1 0 ) cart. s( 2) = ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 -0.0000000 1.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) isym = 3 120 deg rotation - cart. axis [1,1,1] cryst. s( 3) = ( 0 1 0 ) ( 0 0 1 ) ( 1 0 0 ) cart. s( 3) = ( 0.0000000 0.0000000 1.0000000 ) ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) double point group C_3 (3) there are 6 classes and 3 irreducible representations the character table: E -E C3 -C3 C3^2 -C3^2 G_4 1.00 -1.00 0.50 -0.50 0.50 -0.50 G_5 1.00 -1.00 0.50 -0.50 0.50 -0.50 G_6 1.00 -1.00 -1.00 1.00 -1.00 1.00 imaginary part E -E C3 -C3 C3^2 -C3^2 G_4 0.00 0.00 0.87 -0.87 -0.87 0.87 G_5 0.00 0.00 -0.87 0.87 0.87 -0.87 G_6 0.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C3^2 2 C3 3 -E -1 -C3^2 -2 -C3 -3 Cartesian axes number of k points= 197 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050761 k( 2) = ( 0.0000000 0.0200000 -0.0000000), wk = 0.0050761 k( 3) = ( 0.0000000 0.0400000 -0.0000000), wk = 0.0050761 k( 4) = ( 0.0000000 0.0600000 -0.0000000), wk = 0.0050761 k( 5) = ( 0.0000000 0.0800000 -0.0000000), wk = 0.0050761 k( 6) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0050761 k( 7) = ( 0.0000000 0.1200000 -0.0000000), wk = 0.0050761 k( 8) = ( 0.0000000 0.1400000 -0.0000000), wk = 0.0050761 k( 9) = ( 0.0000000 0.1600000 -0.0000000), wk = 0.0050761 k( 10) = ( 0.0000000 0.1800000 -0.0000000), wk = 0.0050761 k( 11) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0050761 k( 12) = ( 0.0000000 0.2200000 -0.0000000), wk = 0.0050761 k( 13) = ( 0.0000000 0.2400000 -0.0000000), wk = 0.0050761 k( 14) = ( 0.0000000 0.2600000 -0.0000000), wk = 0.0050761 k( 15) = ( 0.0000000 0.2800000 -0.0000000), wk = 0.0050761 k( 16) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0050761 k( 17) = ( 0.0000000 0.3200000 -0.0000000), wk = 0.0050761 k( 18) = ( 0.0000000 0.3400000 -0.0000000), wk = 0.0050761 k( 19) = ( 0.0000000 0.3600000 -0.0000000), wk = 0.0050761 k( 20) = ( 0.0000000 0.3800000 -0.0000000), wk = 0.0050761 k( 21) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0050761 k( 22) = ( 0.0000000 0.4200000 -0.0000000), wk = 0.0050761 k( 23) = ( 0.0000000 0.4400000 -0.0000000), wk = 0.0050761 k( 24) = ( 0.0000000 0.4600000 -0.0000000), wk = 0.0050761 k( 25) = ( 0.0000000 0.4800000 -0.0000000), wk = 0.0050761 k( 26) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0050761 k( 27) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0050761 k( 28) = ( 0.0200000 0.5000000 -0.0000000), wk = 0.0050761 k( 29) = ( 0.0400000 0.5000000 -0.0000000), wk = 0.0050761 k( 30) = ( 0.0600000 0.5000000 -0.0000000), wk = 0.0050761 k( 31) = ( 0.0800000 0.5000000 -0.0000000), wk = 0.0050761 k( 32) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0050761 k( 33) = ( 0.1200000 0.5000000 -0.0000000), wk = 0.0050761 k( 34) = ( 0.1400000 0.5000000 -0.0000000), wk = 0.0050761 k( 35) = ( 0.1600000 0.5000000 -0.0000000), wk = 0.0050761 k( 36) = ( 0.1800000 0.5000000 -0.0000000), wk = 0.0050761 k( 37) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0050761 k( 38) = ( 0.2200000 0.5000000 -0.0000000), wk = 0.0050761 k( 39) = ( 0.2400000 0.5000000 -0.0000000), wk = 0.0050761 k( 40) = ( 0.2600000 0.5000000 -0.0000000), wk = 0.0050761 k( 41) = ( 0.2800000 0.5000000 -0.0000000), wk = 0.0050761 k( 42) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0050761 k( 43) = ( 0.3200000 0.5000000 -0.0000000), wk = 0.0050761 k( 44) = ( 0.3400000 0.5000000 -0.0000000), wk = 0.0050761 k( 45) = ( 0.3600000 0.5000000 -0.0000000), wk = 0.0050761 k( 46) = ( 0.3800000 0.5000000 -0.0000000), wk = 0.0050761 k( 47) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0050761 k( 48) = ( 0.4200000 0.5000000 -0.0000000), wk = 0.0050761 k( 49) = ( 0.4400000 0.5000000 -0.0000000), wk = 0.0050761 k( 50) = ( 0.4600000 0.5000000 -0.0000000), wk = 0.0050761 k( 51) = ( 0.4800000 0.5000000 -0.0000000), wk = 0.0050761 k( 52) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0050761 k( 53) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0050761 k( 54) = ( 0.4861111 0.4861111 -0.0000000), wk = 0.0050761 k( 55) = ( 0.4722222 0.4722222 -0.0000000), wk = 0.0050761 k( 56) = ( 0.4583333 0.4583333 -0.0000000), wk = 0.0050761 k( 57) = ( 0.4444444 0.4444444 -0.0000000), wk = 0.0050761 k( 58) = ( 0.4305556 0.4305556 -0.0000000), wk = 0.0050761 k( 59) = ( 0.4166667 0.4166667 -0.0000000), wk = 0.0050761 k( 60) = ( 0.4027778 0.4027778 -0.0000000), wk = 0.0050761 k( 61) = ( 0.3888889 0.3888889 -0.0000000), wk = 0.0050761 k( 62) = ( 0.3750000 0.3750000 -0.0000000), wk = 0.0050761 k( 63) = ( 0.3611111 0.3611111 -0.0000000), wk = 0.0050761 k( 64) = ( 0.3472222 0.3472222 -0.0000000), wk = 0.0050761 k( 65) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0050761 k( 66) = ( 0.3194444 0.3194444 -0.0000000), wk = 0.0050761 k( 67) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0050761 k( 68) = ( 0.2916667 0.2916667 -0.0000000), wk = 0.0050761 k( 69) = ( 0.2777778 0.2777778 -0.0000000), wk = 0.0050761 k( 70) = ( 0.2638889 0.2638889 -0.0000000), wk = 0.0050761 k( 71) = ( 0.2500000 0.2500000 -0.0000000), wk = 0.0050761 k( 72) = ( 0.2361111 0.2361111 -0.0000000), wk = 0.0050761 k( 73) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0050761 k( 74) = ( 0.2083333 0.2083333 -0.0000000), wk = 0.0050761 k( 75) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0050761 k( 76) = ( 0.1805556 0.1805556 -0.0000000), wk = 0.0050761 k( 77) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0050761 k( 78) = ( 0.1527778 0.1527778 -0.0000000), wk = 0.0050761 k( 79) = ( 0.1388889 0.1388889 -0.0000000), wk = 0.0050761 k( 80) = ( 0.1250000 0.1250000 -0.0000000), wk = 0.0050761 k( 81) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0050761 k( 82) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0050761 k( 83) = ( 0.0833333 0.0833333 -0.0000000), wk = 0.0050761 k( 84) = ( 0.0694444 0.0694444 -0.0000000), wk = 0.0050761 k( 85) = ( 0.0555556 0.0555556 -0.0000000), wk = 0.0050761 k( 86) = ( 0.0416667 0.0416667 -0.0000000), wk = 0.0050761 k( 87) = ( 0.0277778 0.0277778 -0.0000000), wk = 0.0050761 k( 88) = ( 0.0138889 0.0138889 -0.0000000), wk = 0.0050761 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050761 k( 90) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050761 k( 91) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0050761 k( 92) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0050761 k( 93) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0050761 k( 94) = ( 0.0454546 0.0454545 0.0454545), wk = 0.0050761 k( 95) = ( 0.0568182 0.0568182 0.0568182), wk = 0.0050761 k( 96) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0050761 k( 97) = ( 0.0795455 0.0795454 0.0795454), wk = 0.0050761 k( 98) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0050761 k( 99) = ( 0.1022727 0.1022727 0.1022727), wk = 0.0050761 k( 100) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0050761 k( 101) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0050761 k( 102) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0050761 k( 103) = ( 0.1477273 0.1477273 0.1477273), wk = 0.0050761 k( 104) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0050761 k( 105) = ( 0.1704546 0.1704545 0.1704545), wk = 0.0050761 k( 106) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0050761 k( 107) = ( 0.1931818 0.1931818 0.1931818), wk = 0.0050761 k( 108) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0050761 k( 109) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0050761 k( 110) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0050761 k( 111) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0050761 k( 112) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0050761 k( 113) = ( 0.2613636 0.2613636 0.2613636), wk = 0.0050761 k( 114) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0050761 k( 115) = ( 0.2840909 0.2840909 0.2840909), wk = 0.0050761 k( 116) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0050761 k( 117) = ( 0.3068182 0.3068182 0.3068182), wk = 0.0050761 k( 118) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0050761 k( 119) = ( 0.3295455 0.3295454 0.3295454), wk = 0.0050761 k( 120) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0050761 k( 121) = ( 0.3522727 0.3522727 0.3522727), wk = 0.0050761 k( 122) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0050761 k( 123) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0050761 k( 124) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0050761 k( 125) = ( 0.3977273 0.3977273 0.3977273), wk = 0.0050761 k( 126) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0050761 k( 127) = ( 0.4204545 0.4204545 0.4204545), wk = 0.0050761 k( 128) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0050761 k( 129) = ( 0.4431818 0.4431818 0.4431818), wk = 0.0050761 k( 130) = ( 0.4545455 0.4545454 0.4545454), wk = 0.0050761 k( 131) = ( 0.4659091 0.4659091 0.4659091), wk = 0.0050761 k( 132) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0050761 k( 133) = ( 0.4886364 0.4886364 0.4886364), wk = 0.0050761 k( 134) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0050761 k( 135) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0050761 k( 136) = ( 0.4861111 0.5000000 0.4861111), wk = 0.0050761 k( 137) = ( 0.4722222 0.5000000 0.4722222), wk = 0.0050761 k( 138) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0050761 k( 139) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0050761 k( 140) = ( 0.4305556 0.5000000 0.4305556), wk = 0.0050761 k( 141) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0050761 k( 142) = ( 0.4027778 0.5000000 0.4027778), wk = 0.0050761 k( 143) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0050761 k( 144) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0050761 k( 145) = ( 0.3611111 0.5000000 0.3611111), wk = 0.0050761 k( 146) = ( 0.3472222 0.5000000 0.3472222), wk = 0.0050761 k( 147) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0050761 k( 148) = ( 0.3194444 0.5000000 0.3194444), wk = 0.0050761 k( 149) = ( 0.3055556 0.5000000 0.3055556), wk = 0.0050761 k( 150) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0050761 k( 151) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0050761 k( 152) = ( 0.2638889 0.5000000 0.2638889), wk = 0.0050761 k( 153) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0050761 k( 154) = ( 0.2361111 0.5000000 0.2361111), wk = 0.0050761 k( 155) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0050761 k( 156) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0050761 k( 157) = ( 0.1944444 0.5000000 0.1944444), wk = 0.0050761 k( 158) = ( 0.1805556 0.5000000 0.1805556), wk = 0.0050761 k( 159) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0050761 k( 160) = ( 0.1527778 0.5000000 0.1527778), wk = 0.0050761 k( 161) = ( 0.1388889 0.5000000 0.1388889), wk = 0.0050761 k( 162) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0050761 k( 163) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0050761 k( 164) = ( 0.0972222 0.5000000 0.0972222), wk = 0.0050761 k( 165) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0050761 k( 166) = ( 0.0694444 0.5000000 0.0694444), wk = 0.0050761 k( 167) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0050761 k( 168) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0050761 k( 169) = ( 0.0277778 0.5000000 0.0277778), wk = 0.0050761 k( 170) = ( 0.0138889 0.5000000 0.0138889), wk = 0.0050761 k( 171) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0050761 k( 172) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0050761 k( 173) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0050761 k( 174) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0050761 k( 175) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0050761 k( 176) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0050761 k( 177) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0050761 k( 178) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0050761 k( 179) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0050761 k( 180) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0050761 k( 181) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0050761 k( 182) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0050761 k( 183) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0050761 k( 184) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0050761 k( 185) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0050761 k( 186) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0050761 k( 187) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0050761 k( 188) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0050761 k( 189) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0050761 k( 190) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0050761 k( 191) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0050761 k( 192) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0050761 k( 193) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0050761 k( 194) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0050761 k( 195) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0050761 k( 196) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0050761 k( 197) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0050761 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050761 k( 2) = ( 0.0000000 0.0200000 0.0000000), wk = 0.0050761 k( 3) = ( 0.0000000 0.0400000 0.0000000), wk = 0.0050761 k( 4) = ( 0.0000000 0.0600000 0.0000000), wk = 0.0050761 k( 5) = ( 0.0000000 0.0800000 0.0000000), wk = 0.0050761 k( 6) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0050761 k( 7) = ( 0.0000000 0.1200000 0.0000000), wk = 0.0050761 k( 8) = ( 0.0000000 0.1400000 0.0000000), wk = 0.0050761 k( 9) = ( 0.0000000 0.1600000 0.0000000), wk = 0.0050761 k( 10) = ( 0.0000000 0.1800000 0.0000000), wk = 0.0050761 k( 11) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0050761 k( 12) = ( 0.0000000 0.2200000 0.0000000), wk = 0.0050761 k( 13) = ( 0.0000000 0.2400000 0.0000000), wk = 0.0050761 k( 14) = ( 0.0000000 0.2600000 0.0000000), wk = 0.0050761 k( 15) = ( 0.0000000 0.2800000 0.0000000), wk = 0.0050761 k( 16) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0050761 k( 17) = ( 0.0000000 0.3200000 0.0000000), wk = 0.0050761 k( 18) = ( 0.0000000 0.3400000 0.0000000), wk = 0.0050761 k( 19) = ( 0.0000000 0.3600000 0.0000000), wk = 0.0050761 k( 20) = ( 0.0000000 0.3800000 0.0000000), wk = 0.0050761 k( 21) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0050761 k( 22) = ( 0.0000000 0.4200000 0.0000000), wk = 0.0050761 k( 23) = ( 0.0000000 0.4400000 0.0000000), wk = 0.0050761 k( 24) = ( 0.0000000 0.4600000 0.0000000), wk = 0.0050761 k( 25) = ( 0.0000000 0.4800000 0.0000000), wk = 0.0050761 k( 26) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0050761 k( 27) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0050761 k( 28) = ( 0.0200000 0.5000000 0.0000000), wk = 0.0050761 k( 29) = ( 0.0400000 0.5000000 0.0000000), wk = 0.0050761 k( 30) = ( 0.0600000 0.5000000 0.0000000), wk = 0.0050761 k( 31) = ( 0.0800000 0.5000000 0.0000000), wk = 0.0050761 k( 32) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0050761 k( 33) = ( 0.1200000 0.5000000 0.0000000), wk = 0.0050761 k( 34) = ( 0.1400000 0.5000000 0.0000000), wk = 0.0050761 k( 35) = ( 0.1600000 0.5000000 0.0000000), wk = 0.0050761 k( 36) = ( 0.1800000 0.5000000 0.0000000), wk = 0.0050761 k( 37) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0050761 k( 38) = ( 0.2200000 0.5000000 0.0000000), wk = 0.0050761 k( 39) = ( 0.2400000 0.5000000 0.0000000), wk = 0.0050761 k( 40) = ( 0.2600000 0.5000000 0.0000000), wk = 0.0050761 k( 41) = ( 0.2800000 0.5000000 0.0000000), wk = 0.0050761 k( 42) = ( 0.3000000 0.5000000 0.0000000), wk = 0.0050761 k( 43) = ( 0.3200000 0.5000000 0.0000000), wk = 0.0050761 k( 44) = ( 0.3400000 0.5000000 0.0000000), wk = 0.0050761 k( 45) = ( 0.3600000 0.5000000 0.0000000), wk = 0.0050761 k( 46) = ( 0.3800000 0.5000000 0.0000000), wk = 0.0050761 k( 47) = ( 0.4000000 0.5000000 0.0000000), wk = 0.0050761 k( 48) = ( 0.4200000 0.5000000 0.0000000), wk = 0.0050761 k( 49) = ( 0.4400000 0.5000000 0.0000000), wk = 0.0050761 k( 50) = ( 0.4600000 0.5000000 0.0000000), wk = 0.0050761 k( 51) = ( 0.4800000 0.5000000 0.0000000), wk = 0.0050761 k( 52) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0050761 k( 53) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0050761 k( 54) = ( 0.4861111 0.4861111 0.0000000), wk = 0.0050761 k( 55) = ( 0.4722222 0.4722222 0.0000000), wk = 0.0050761 k( 56) = ( 0.4583333 0.4583333 0.0000000), wk = 0.0050761 k( 57) = ( 0.4444444 0.4444444 0.0000000), wk = 0.0050761 k( 58) = ( 0.4305556 0.4305556 0.0000000), wk = 0.0050761 k( 59) = ( 0.4166667 0.4166667 0.0000000), wk = 0.0050761 k( 60) = ( 0.4027778 0.4027778 0.0000000), wk = 0.0050761 k( 61) = ( 0.3888889 0.3888889 0.0000000), wk = 0.0050761 k( 62) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0050761 k( 63) = ( 0.3611111 0.3611111 0.0000000), wk = 0.0050761 k( 64) = ( 0.3472222 0.3472222 0.0000000), wk = 0.0050761 k( 65) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0050761 k( 66) = ( 0.3194444 0.3194444 0.0000000), wk = 0.0050761 k( 67) = ( 0.3055556 0.3055556 -0.0000000), wk = 0.0050761 k( 68) = ( 0.2916667 0.2916667 0.0000000), wk = 0.0050761 k( 69) = ( 0.2777778 0.2777778 0.0000000), wk = 0.0050761 k( 70) = ( 0.2638889 0.2638889 0.0000000), wk = 0.0050761 k( 71) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0050761 k( 72) = ( 0.2361111 0.2361111 0.0000000), wk = 0.0050761 k( 73) = ( 0.2222222 0.2222222 0.0000000), wk = 0.0050761 k( 74) = ( 0.2083333 0.2083333 0.0000000), wk = 0.0050761 k( 75) = ( 0.1944444 0.1944444 -0.0000000), wk = 0.0050761 k( 76) = ( 0.1805556 0.1805556 0.0000000), wk = 0.0050761 k( 77) = ( 0.1666667 0.1666667 0.0000000), wk = 0.0050761 k( 78) = ( 0.1527778 0.1527778 -0.0000000), wk = 0.0050761 k( 79) = ( 0.1388889 0.1388889 0.0000000), wk = 0.0050761 k( 80) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0050761 k( 81) = ( 0.1111111 0.1111111 0.0000000), wk = 0.0050761 k( 82) = ( 0.0972222 0.0972222 -0.0000000), wk = 0.0050761 k( 83) = ( 0.0833333 0.0833333 0.0000000), wk = 0.0050761 k( 84) = ( 0.0694444 0.0694444 0.0000000), wk = 0.0050761 k( 85) = ( 0.0555556 0.0555556 0.0000000), wk = 0.0050761 k( 86) = ( 0.0416667 0.0416667 0.0000000), wk = 0.0050761 k( 87) = ( 0.0277778 0.0277778 0.0000000), wk = 0.0050761 k( 88) = ( 0.0138889 0.0138889 0.0000000), wk = 0.0050761 k( 89) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050761 k( 90) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0050761 k( 91) = ( 0.0113636 0.0113636 0.0113636), wk = 0.0050761 k( 92) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0050761 k( 93) = ( 0.0340909 0.0340909 0.0340909), wk = 0.0050761 k( 94) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0050761 k( 95) = ( 0.0568182 0.0568182 0.0568182), wk = 0.0050761 k( 96) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0050761 k( 97) = ( 0.0795455 0.0795455 0.0795455), wk = 0.0050761 k( 98) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0050761 k( 99) = ( 0.1022727 0.1022727 0.1022727), wk = 0.0050761 k( 100) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0050761 k( 101) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0050761 k( 102) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0050761 k( 103) = ( 0.1477273 0.1477273 0.1477273), wk = 0.0050761 k( 104) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0050761 k( 105) = ( 0.1704546 0.1704546 0.1704546), wk = 0.0050761 k( 106) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0050761 k( 107) = ( 0.1931818 0.1931818 0.1931818), wk = 0.0050761 k( 108) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0050761 k( 109) = ( 0.2159091 0.2159091 0.2159091), wk = 0.0050761 k( 110) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0050761 k( 111) = ( 0.2386364 0.2386364 0.2386364), wk = 0.0050761 k( 112) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0050761 k( 113) = ( 0.2613636 0.2613636 0.2613636), wk = 0.0050761 k( 114) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0050761 k( 115) = ( 0.2840909 0.2840909 0.2840909), wk = 0.0050761 k( 116) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0050761 k( 117) = ( 0.3068182 0.3068182 0.3068182), wk = 0.0050761 k( 118) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0050761 k( 119) = ( 0.3295455 0.3295455 0.3295455), wk = 0.0050761 k( 120) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0050761 k( 121) = ( 0.3522727 0.3522727 0.3522727), wk = 0.0050761 k( 122) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0050761 k( 123) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0050761 k( 124) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0050761 k( 125) = ( 0.3977273 0.3977273 0.3977273), wk = 0.0050761 k( 126) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0050761 k( 127) = ( 0.4204545 0.4204545 0.4204545), wk = 0.0050761 k( 128) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0050761 k( 129) = ( 0.4431818 0.4431818 0.4431818), wk = 0.0050761 k( 130) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0050761 k( 131) = ( 0.4659091 0.4659091 0.4659091), wk = 0.0050761 k( 132) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0050761 k( 133) = ( 0.4886364 0.4886364 0.4886364), wk = 0.0050761 k( 134) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0050761 k( 135) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0050761 k( 136) = ( 0.4861111 0.5000000 0.4861111), wk = 0.0050761 k( 137) = ( 0.4722222 0.5000000 0.4722222), wk = 0.0050761 k( 138) = ( 0.4583333 0.5000000 0.4583333), wk = 0.0050761 k( 139) = ( 0.4444444 0.5000000 0.4444444), wk = 0.0050761 k( 140) = ( 0.4305556 0.5000000 0.4305556), wk = 0.0050761 k( 141) = ( 0.4166667 0.5000000 0.4166667), wk = 0.0050761 k( 142) = ( 0.4027778 0.5000000 0.4027778), wk = 0.0050761 k( 143) = ( 0.3888889 0.5000000 0.3888889), wk = 0.0050761 k( 144) = ( 0.3750000 0.5000000 0.3750000), wk = 0.0050761 k( 145) = ( 0.3611111 0.5000000 0.3611111), wk = 0.0050761 k( 146) = ( 0.3472222 0.5000000 0.3472222), wk = 0.0050761 k( 147) = ( 0.3333333 0.5000000 0.3333333), wk = 0.0050761 k( 148) = ( 0.3194444 0.5000000 0.3194444), wk = 0.0050761 k( 149) = ( 0.3055556 0.5000000 0.3055556), wk = 0.0050761 k( 150) = ( 0.2916667 0.5000000 0.2916667), wk = 0.0050761 k( 151) = ( 0.2777778 0.5000000 0.2777778), wk = 0.0050761 k( 152) = ( 0.2638889 0.5000000 0.2638889), wk = 0.0050761 k( 153) = ( 0.2500000 0.5000000 0.2500000), wk = 0.0050761 k( 154) = ( 0.2361111 0.5000000 0.2361111), wk = 0.0050761 k( 155) = ( 0.2222222 0.5000000 0.2222222), wk = 0.0050761 k( 156) = ( 0.2083333 0.5000000 0.2083333), wk = 0.0050761 k( 157) = ( 0.1944444 0.5000000 0.1944444), wk = 0.0050761 k( 158) = ( 0.1805556 0.5000000 0.1805556), wk = 0.0050761 k( 159) = ( 0.1666667 0.5000000 0.1666667), wk = 0.0050761 k( 160) = ( 0.1527778 0.5000000 0.1527778), wk = 0.0050761 k( 161) = ( 0.1388889 0.5000000 0.1388889), wk = 0.0050761 k( 162) = ( 0.1250000 0.5000000 0.1250000), wk = 0.0050761 k( 163) = ( 0.1111111 0.5000000 0.1111111), wk = 0.0050761 k( 164) = ( 0.0972222 0.5000000 0.0972222), wk = 0.0050761 k( 165) = ( 0.0833333 0.5000000 0.0833333), wk = 0.0050761 k( 166) = ( 0.0694444 0.5000000 0.0694444), wk = 0.0050761 k( 167) = ( 0.0555556 0.5000000 0.0555556), wk = 0.0050761 k( 168) = ( 0.0416667 0.5000000 0.0416667), wk = 0.0050761 k( 169) = ( 0.0277778 0.5000000 0.0277778), wk = 0.0050761 k( 170) = ( 0.0138889 0.5000000 0.0138889), wk = 0.0050761 k( 171) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0050761 k( 172) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0050761 k( 173) = ( 0.5000000 0.5000000 0.0200000), wk = 0.0050761 k( 174) = ( 0.5000000 0.5000000 0.0400000), wk = 0.0050761 k( 175) = ( 0.5000000 0.5000000 0.0600000), wk = 0.0050761 k( 176) = ( 0.5000000 0.5000000 0.0800000), wk = 0.0050761 k( 177) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0050761 k( 178) = ( 0.5000000 0.5000000 0.1200000), wk = 0.0050761 k( 179) = ( 0.5000000 0.5000000 0.1400000), wk = 0.0050761 k( 180) = ( 0.5000000 0.5000000 0.1600000), wk = 0.0050761 k( 181) = ( 0.5000000 0.5000000 0.1800000), wk = 0.0050761 k( 182) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0050761 k( 183) = ( 0.5000000 0.5000000 0.2200000), wk = 0.0050761 k( 184) = ( 0.5000000 0.5000000 0.2400000), wk = 0.0050761 k( 185) = ( 0.5000000 0.5000000 0.2600000), wk = 0.0050761 k( 186) = ( 0.5000000 0.5000000 0.2800000), wk = 0.0050761 k( 187) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0050761 k( 188) = ( 0.5000000 0.5000000 0.3200000), wk = 0.0050761 k( 189) = ( 0.5000000 0.5000000 0.3400000), wk = 0.0050761 k( 190) = ( 0.5000000 0.5000000 0.3600000), wk = 0.0050761 k( 191) = ( 0.5000000 0.5000000 0.3800000), wk = 0.0050761 k( 192) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0050761 k( 193) = ( 0.5000000 0.5000000 0.4200000), wk = 0.0050761 k( 194) = ( 0.5000000 0.5000000 0.4400000), wk = 0.0050761 k( 195) = ( 0.5000000 0.5000000 0.4600000), wk = 0.0050761 k( 196) = ( 0.5000000 0.5000000 0.4800000), wk = 0.0050761 k( 197) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0050761 Dense grid: 273209 G-vectors FFT dimensions: ( 81, 81, 81) Smooth grid: 51867 G-vectors FFT dimensions: ( 48, 48, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.43 Mb ( 282, 100) NL pseudopotentials 0.65 Mb ( 141, 300) Each V/rho on FFT grid 0.20 Mb ( 13122) Each G-vector array 0.04 Mb ( 5696) G-vector shells 0.01 Mb ( 1077) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.72 Mb ( 282, 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 : ./SbPdSe.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 46.0 secs Computing kpt #: 2 total cpu time spent up to now is 52.5 secs Computing kpt #: 3 total cpu time spent up to now is 58.9 secs Computing kpt #: 4 total cpu time spent up to now is 65.6 secs Computing kpt #: 5 total cpu time spent up to now is 72.6 secs Computing kpt #: 6 total cpu time spent up to now is 79.3 secs Computing kpt #: 7 total cpu time spent up to now is 86.0 secs Computing kpt #: 8 total cpu time spent up to now is 92.7 secs Computing kpt #: 9 total cpu time spent up to now is 99.6 secs Computing kpt #: 10 total cpu time spent up to now is 107.6 secs Computing kpt #: 11 total cpu time spent up to now is 115.2 secs Computing kpt #: 12 total cpu time spent up to now is 123.0 secs Computing kpt #: 13 total cpu time spent up to now is 131.2 secs Computing kpt #: 14 total cpu time spent up to now is 139.4 secs Computing kpt #: 15 total cpu time spent up to now is 147.7 secs Computing kpt #: 16 total cpu time spent up to now is 156.0 secs Computing kpt #: 17 total cpu time spent up to now is 165.3 secs Computing kpt #: 18 total cpu time spent up to now is 176.4 secs Computing kpt #: 19 total cpu time spent up to now is 185.1 secs Computing kpt #: 20 total cpu time spent up to now is 193.0 secs Computing kpt #: 21 total cpu time spent up to now is 200.7 secs Computing kpt #: 22 total cpu time spent up to now is 208.1 secs Computing kpt #: 23 total cpu time spent up to now is 215.6 secs Computing kpt #: 24 total cpu time spent up to now is 222.8 secs Computing kpt #: 25 total cpu time spent up to now is 230.1 secs Computing kpt #: 26 total cpu time spent up to now is 237.1 secs Computing kpt #: 27 total cpu time spent up to now is 244.1 secs Computing kpt #: 28 total cpu time spent up to now is 251.3 secs Computing kpt #: 29 total cpu time spent up to now is 259.3 secs Computing kpt #: 30 total cpu time spent up to now is 266.6 secs Computing kpt #: 31 total cpu time spent up to now is 273.5 secs Computing kpt #: 32 total cpu time spent up to now is 279.9 secs Computing kpt #: 33 total cpu time spent up to now is 286.3 secs Computing kpt #: 34 total cpu time spent up to now is 292.5 secs Computing kpt #: 35 total cpu time spent up to now is 298.8 secs Computing kpt #: 36 total cpu time spent up to now is 305.2 secs Computing kpt #: 37 total cpu time spent up to now is 311.6 secs Computing kpt #: 38 total cpu time spent up to now is 318.0 secs Computing kpt #: 39 total cpu time spent up to now is 324.5 secs Computing kpt #: 40 total cpu time spent up to now is 331.3 secs Computing kpt #: 41 total cpu time spent up to now is 338.4 secs Computing kpt #: 42 total cpu time spent up to now is 344.9 secs Computing kpt #: 43 total cpu time spent up to now is 351.5 secs Computing kpt #: 44 total cpu time spent up to now is 358.1 secs Computing kpt #: 45 total cpu time spent up to now is 365.7 secs Computing kpt #: 46 total cpu time spent up to now is 372.5 secs Computing kpt #: 47 total cpu time spent up to now is 380.1 secs Computing kpt #: 48 total cpu time spent up to now is 387.7 secs Computing kpt #: 49 total cpu time spent up to now is 395.2 secs Computing kpt #: 50 total cpu time spent up to now is 402.7 secs Computing kpt #: 51 total cpu time spent up to now is 410.2 secs Computing kpt #: 52 total cpu time spent up to now is 417.5 secs Computing kpt #: 53 total cpu time spent up to now is 425.2 secs Computing kpt #: 54 total cpu time spent up to now is 432.8 secs Computing kpt #: 55 total cpu time spent up to now is 440.4 secs Computing kpt #: 56 total cpu time spent up to now is 448.4 secs Computing kpt #: 57 total cpu time spent up to now is 456.4 secs Computing kpt #: 58 total cpu time spent up to now is 464.1 secs Computing kpt #: 59 total cpu time spent up to now is 472.0 secs Computing kpt #: 60 total cpu time spent up to now is 479.8 secs Computing kpt #: 61 total cpu time spent up to now is 487.5 secs Computing kpt #: 62 total cpu time spent up to now is 495.2 secs Computing kpt #: 63 total cpu time spent up to now is 502.0 secs Computing kpt #: 64 total cpu time spent up to now is 508.9 secs Computing kpt #: 65 total cpu time spent up to now is 515.7 secs Computing kpt #: 66 total cpu time spent up to now is 522.6 secs Computing kpt #: 67 total cpu time spent up to now is 529.8 secs Computing kpt #: 68 total cpu time spent up to now is 537.0 secs Computing kpt #: 69 total cpu time spent up to now is 545.2 secs Computing kpt #: 70 total cpu time spent up to now is 554.0 secs Computing kpt #: 71 total cpu time spent up to now is 563.0 secs Computing kpt #: 72 total cpu time spent up to now is 574.8 secs Computing kpt #: 73 total cpu time spent up to now is 583.9 secs Computing kpt #: 74 total cpu time spent up to now is 592.1 secs Computing kpt #: 75 total cpu time spent up to now is 599.8 secs Computing kpt #: 76 total cpu time spent up to now is 606.8 secs Computing kpt #: 77 total cpu time spent up to now is 614.0 secs Computing kpt #: 78 total cpu time spent up to now is 620.7 secs Computing kpt #: 79 total cpu time spent up to now is 627.4 secs Computing kpt #: 80 total cpu time spent up to now is 635.6 secs Computing kpt #: 81 total cpu time spent up to now is 642.5 secs Computing kpt #: 82 total cpu time spent up to now is 649.2 secs Computing kpt #: 83 total cpu time spent up to now is 656.0 secs Computing kpt #: 84 total cpu time spent up to now is 662.6 secs Computing kpt #: 85 total cpu time spent up to now is 669.6 secs Computing kpt #: 86 total cpu time spent up to now is 676.1 secs Computing kpt #: 87 total cpu time spent up to now is 682.2 secs Computing kpt #: 88 total cpu time spent up to now is 688.8 secs Computing kpt #: 89 total cpu time spent up to now is 695.8 secs Computing kpt #: 90 total cpu time spent up to now is 702.3 secs Computing kpt #: 91 total cpu time spent up to now is 708.8 secs Computing kpt #: 92 total cpu time spent up to now is 714.9 secs Computing kpt #: 93 total cpu time spent up to now is 721.2 secs Computing kpt #: 94 total cpu time spent up to now is 727.7 secs Computing kpt #: 95 total cpu time spent up to now is 734.5 secs Computing kpt #: 96 total cpu time spent up to now is 741.3 secs Computing kpt #: 97 total cpu time spent up to now is 748.0 secs Computing kpt #: 98 total cpu time spent up to now is 754.8 secs Computing kpt #: 99 total cpu time spent up to now is 761.7 secs Computing kpt #: 100 total cpu time spent up to now is 768.6 secs Computing kpt #: 101 total cpu time spent up to now is 775.7 secs Computing kpt #: 102 total cpu time spent up to now is 782.4 secs Computing kpt #: 103 total cpu time spent up to now is 789.3 secs Computing kpt #: 104 total cpu time spent up to now is 796.1 secs Computing kpt #: 105 total cpu time spent up to now is 802.8 secs Computing kpt #: 106 total cpu time spent up to now is 809.5 secs Computing kpt #: 107 total cpu time spent up to now is 816.4 secs Computing kpt #: 108 total cpu time spent up to now is 822.9 secs Computing kpt #: 109 total cpu time spent up to now is 829.6 secs Computing kpt #: 110 total cpu time spent up to now is 836.1 secs Computing kpt #: 111 total cpu time spent up to now is 842.5 secs Computing kpt #: 112 total cpu time spent up to now is 849.2 secs Computing kpt #: 113 total cpu time spent up to now is 855.5 secs Computing kpt #: 114 total cpu time spent up to now is 861.9 secs Computing kpt #: 115 total cpu time spent up to now is 868.5 secs Computing kpt #: 116 total cpu time spent up to now is 875.0 secs Computing kpt #: 117 total cpu time spent up to now is 881.7 secs Computing kpt #: 118 total cpu time spent up to now is 889.0 secs Computing kpt #: 119 total cpu time spent up to now is 896.4 secs Computing kpt #: 120 total cpu time spent up to now is 903.9 secs Computing kpt #: 121 total cpu time spent up to now is 911.6 secs Computing kpt #: 122 total cpu time spent up to now is 919.3 secs Computing kpt #: 123 total cpu time spent up to now is 927.5 secs Computing kpt #: 124 total cpu time spent up to now is 936.9 secs Computing kpt #: 125 total cpu time spent up to now is 945.0 secs Computing kpt #: 126 total cpu time spent up to now is 953.4 secs Computing kpt #: 127 total cpu time spent up to now is 961.9 secs Computing kpt #: 128 total cpu time spent up to now is 970.5 secs Computing kpt #: 129 total cpu time spent up to now is 979.4 secs Computing kpt #: 130 total cpu time spent up to now is 988.3 secs Computing kpt #: 131 total cpu time spent up to now is 997.5 secs Computing kpt #: 132 total cpu time spent up to now is 1006.8 secs Computing kpt #: 133 total cpu time spent up to now is 1015.6 secs Computing kpt #: 134 total cpu time spent up to now is 1024.5 secs Computing kpt #: 135 total cpu time spent up to now is 1033.0 secs Computing kpt #: 136 total cpu time spent up to now is 1041.8 secs Computing kpt #: 137 total cpu time spent up to now is 1050.4 secs Computing kpt #: 138 total cpu time spent up to now is 1058.8 secs Computing kpt #: 139 total cpu time spent up to now is 1067.2 secs Computing kpt #: 140 total cpu time spent up to now is 1075.6 secs Computing kpt #: 141 total cpu time spent up to now is 1084.2 secs Computing kpt #: 142 total cpu time spent up to now is 1092.2 secs Computing kpt #: 143 total cpu time spent up to now is 1100.0 secs Computing kpt #: 144 total cpu time spent up to now is 1107.5 secs Computing kpt #: 145 total cpu time spent up to now is 1115.1 secs Computing kpt #: 146 total cpu time spent up to now is 1122.9 secs Computing kpt #: 147 total cpu time spent up to now is 1130.9 secs Computing kpt #: 148 total cpu time spent up to now is 1138.3 secs Computing kpt #: 149 total cpu time spent up to now is 1145.8 secs Computing kpt #: 150 total cpu time spent up to now is 1153.2 secs Computing kpt #: 151 total cpu time spent up to now is 1160.7 secs Computing kpt #: 152 total cpu time spent up to now is 1168.0 secs Computing kpt #: 153 total cpu time spent up to now is 1175.3 secs Computing kpt #: 154 total cpu time spent up to now is 1182.7 secs Computing kpt #: 155 total cpu time spent up to now is 1190.0 secs Computing kpt #: 156 total cpu time spent up to now is 1197.4 secs Computing kpt #: 157 total cpu time spent up to now is 1204.7 secs Computing kpt #: 158 total cpu time spent up to now is 1212.1 secs Computing kpt #: 159 total cpu time spent up to now is 1219.7 secs Computing kpt #: 160 total cpu time spent up to now is 1227.5 secs Computing kpt #: 161 total cpu time spent up to now is 1235.8 secs Computing kpt #: 162 total cpu time spent up to now is 1243.3 secs Computing kpt #: 163 total cpu time spent up to now is 1250.7 secs Computing kpt #: 164 total cpu time spent up to now is 1257.9 secs Computing kpt #: 165 total cpu time spent up to now is 1265.2 secs Computing kpt #: 166 total cpu time spent up to now is 1272.5 secs Computing kpt #: 167 total cpu time spent up to now is 1279.6 secs Computing kpt #: 168 total cpu time spent up to now is 1286.9 secs Computing kpt #: 169 total cpu time spent up to now is 1294.0 secs Computing kpt #: 170 total cpu time spent up to now is 1301.2 secs Computing kpt #: 171 total cpu time spent up to now is 1309.6 secs Computing kpt #: 172 total cpu time spent up to now is 1316.9 secs Computing kpt #: 173 total cpu time spent up to now is 1325.0 secs Computing kpt #: 174 total cpu time spent up to now is 1332.6 secs Computing kpt #: 175 total cpu time spent up to now is 1340.4 secs Computing kpt #: 176 total cpu time spent up to now is 1348.1 secs Computing kpt #: 177 total cpu time spent up to now is 1355.8 secs Computing kpt #: 178 total cpu time spent up to now is 1363.7 secs Computing kpt #: 179 total cpu time spent up to now is 1371.4 secs Computing kpt #: 180 total cpu time spent up to now is 1379.5 secs Computing kpt #: 181 total cpu time spent up to now is 1387.7 secs Computing kpt #: 182 total cpu time spent up to now is 1395.6 secs Computing kpt #: 183 total cpu time spent up to now is 1403.8 secs Computing kpt #: 184 total cpu time spent up to now is 1412.3 secs Computing kpt #: 185 total cpu time spent up to now is 1420.6 secs Computing kpt #: 186 total cpu time spent up to now is 1429.4 secs Computing kpt #: 187 total cpu time spent up to now is 1437.8 secs Computing kpt #: 188 total cpu time spent up to now is 1446.5 secs Computing kpt #: 189 total cpu time spent up to now is 1455.0 secs Computing kpt #: 190 total cpu time spent up to now is 1463.5 secs Computing kpt #: 191 total cpu time spent up to now is 1472.0 secs Computing kpt #: 192 total cpu time spent up to now is 1480.8 secs Computing kpt #: 193 total cpu time spent up to now is 1489.5 secs Computing kpt #: 194 total cpu time spent up to now is 1498.2 secs Computing kpt #: 195 total cpu time spent up to now is 1507.0 secs Computing kpt #: 196 total cpu time spent up to now is 1515.8 secs Computing kpt #: 197 total cpu time spent up to now is 1525.9 secs ethr = 1.19E-11, avg # of iterations = 34.8 total cpu time spent up to now is 1526.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6451 PWs) bands (ev): -4.9530 -4.9530 -3.9412 -3.9412 -3.9409 -3.9409 -3.9409 -3.9409 0.0192 0.0192 0.0299 0.0299 0.0299 0.0299 0.3937 0.3937 3.7046 3.7046 3.7046 3.7046 3.7155 3.7155 4.5662 4.5662 4.5784 4.5784 4.5784 4.5784 4.8289 4.8289 4.8289 4.8289 4.9014 4.9014 4.9906 4.9906 4.9906 4.9906 5.4824 5.4824 5.6551 5.6551 5.6551 5.6551 5.8883 5.8883 5.8883 5.8883 6.0798 6.0798 6.1639 6.1639 6.2310 6.2310 6.2310 6.2310 6.2798 6.2798 6.2799 6.2799 6.4691 6.4691 6.4692 6.4692 6.5006 6.5006 6.8075 6.8075 6.9666 6.9666 6.9781 6.9781 6.9781 6.9781 7.9320 7.9320 8.1352 8.1352 8.1352 8.1352 8.8082 8.8082 8.8082 8.8082 8.8649 8.8649 10.5089 10.5089 11.5523 11.5523 11.5523 11.5523 11.6580 11.6580 12.5346 12.5346 12.6583 12.6583 12.6583 12.6583 k = 0.0000 0.0200-0.0000 ( 6503 PWs) bands (ev): -4.9521 -4.9521 -3.9513 -3.9512 -3.9408 -3.9407 -3.9317 -3.9314 -0.0070 0.0008 0.0260 0.0272 0.0521 0.0585 0.3916 0.3924 3.7042 3.7050 3.7053 3.7077 3.7157 3.7175 4.5632 4.5684 4.5763 4.5776 4.5807 4.5811 4.8177 4.8271 4.8293 4.8316 4.8842 4.9107 4.9671 4.9891 4.9901 5.0022 5.4790 5.4929 5.6381 5.6470 5.6692 5.6784 5.8698 5.8889 5.8907 5.8940 6.0784 6.0836 6.1637 6.1674 6.2242 6.2248 6.2390 6.2398 6.2762 6.2797 6.2842 6.2894 6.4656 6.4684 6.4697 6.4741 6.5010 6.5010 6.8009 6.8090 6.9543 6.9627 6.9755 6.9799 6.9849 6.9937 7.9326 7.9339 8.1314 8.1346 8.1374 8.1390 8.7940 8.8013 8.8161 8.8269 8.8584 8.8776 10.5090 10.5107 11.5423 11.5485 11.5585 11.5614 11.6523 11.6652 12.5284 12.5306 12.6413 12.6498 12.6580 12.6588 k = 0.0000 0.0400-0.0000 ( 6519 PWs) bands (ev): -4.9495 -4.9495 -3.9624 -3.9623 -3.9403 -3.9399 -3.9231 -3.9226 -0.0359 -0.0286 0.0275 0.0276 0.0792 0.0863 0.3862 0.3876 3.7058 3.7067 3.7076 3.7135 3.7184 3.7226 4.5598 4.5693 4.5750 4.5780 4.5841 4.5844 4.8005 4.8212 4.8267 4.8291 4.8551 4.9124 4.9354 4.9852 4.9857 5.0088 5.4841 5.5003 5.6183 5.6585 5.6848 5.7133 5.8376 5.8779 5.8976 5.9049 6.0793 6.0898 6.1660 6.1716 6.2189 6.2211 6.2449 6.2488 6.2776 6.2834 6.2982 6.3060 6.4635 6.4679 6.4702 6.4804 6.5028 6.5030 6.7897 6.8058 6.9408 6.9476 6.9847 6.9886 6.9972 7.0099 7.9348 7.9372 8.1240 8.1304 8.1458 8.1490 8.7845 8.7961 8.8256 8.8498 8.8588 8.8968 10.5113 10.5146 11.5314 11.5464 11.5672 11.5695 11.6484 11.6734 12.5102 12.5111 12.6071 12.6193 12.6573 12.6592 k = 0.0000 0.0600-0.0000 ( 6527 PWs) bands (ev): -4.9452 -4.9451 -3.9744 -3.9744 -3.9392 -3.9387 -3.9151 -3.9146 -0.0652 -0.0581 0.0284 0.0294 0.1056 0.1132 0.3774 0.3797 3.7085 3.7094 3.7113 3.7190 3.7263 3.7311 4.5566 4.5689 4.5749 4.5797 4.5875 4.5894 4.7790 4.8065 4.8142 4.8152 4.8285 4.8816 4.9292 4.9746 4.9815 5.0162 5.4886 5.4956 5.6024 5.6880 5.7077 5.7557 5.7969 5.8583 5.9112 5.9191 6.0817 6.0972 6.1686 6.1737 6.2143 6.2189 6.2468 6.2544 6.2810 6.2919 6.3243 6.3295 6.4621 6.4678 6.4707 6.4865 6.5069 6.5085 6.7749 6.7989 6.9269 6.9329 6.9987 7.0038 7.0114 7.0270 7.9364 7.9397 8.1134 8.1221 8.1619 8.1662 8.7791 8.7930 8.8371 8.8617 8.8805 8.9221 10.5157 10.5206 11.5195 11.5449 11.5764 11.5785 11.6467 11.6825 12.4620 12.4720 12.5741 12.5789 12.6566 12.6593 k = 0.0000 0.0800-0.0000 ( 6519 PWs) bands (ev): -4.9391 -4.9390 -3.9875 -3.9874 -3.9378 -3.9371 -3.9078 -3.9072 -0.0943 -0.0874 0.0297 0.0316 0.1311 0.1390 0.3657 0.3687 3.7119 3.7128 3.7160 3.7240 3.7389 3.7429 4.5541 4.5677 4.5754 4.5826 4.5912 4.5954 4.7534 4.7666 4.7820 4.7854 4.8274 4.8544 4.9303 4.9605 4.9793 5.0244 5.4769 5.4789 5.6034 5.7219 5.7443 5.7540 5.7962 5.8423 5.9289 5.9354 6.0843 6.1044 6.1707 6.1735 6.2100 6.2173 6.2475 6.2567 6.2858 6.3045 6.3562 6.3571 6.4613 6.4685 6.4709 6.4913 6.5142 6.5198 6.7579 6.7893 6.9129 6.9187 7.0180 7.0255 7.0280 7.0453 7.9348 7.9392 8.0999 8.1099 8.1863 8.1913 8.7777 8.7924 8.8513 8.8718 8.9140 8.9530 10.5223 10.5287 11.5065 11.5432 11.5816 11.5918 11.6475 11.6921 12.3804 12.4054 12.5426 12.5505 12.6555 12.6592 k = 0.0000 0.1000-0.0000 ( 6507 PWs) bands (ev): -4.9313 -4.9312 -4.0015 -4.0014 -3.9359 -3.9351 -3.9011 -3.9004 -0.1231 -0.1163 0.0313 0.0340 0.1553 0.1636 0.3512 0.3552 3.7153 3.7167 3.7216 3.7298 3.7541 3.7574 4.5525 4.5648 4.5758 4.5867 4.5948 4.6027 4.7119 4.7273 4.7309 4.7598 4.8261 4.8452 4.9271 4.9454 4.9809 5.0322 5.4458 5.4541 5.6215 5.7070 5.7549 5.7952 5.7985 5.8667 5.9498 5.9535 6.0855 6.1094 6.1717 6.1724 6.2058 6.2156 6.2487 6.2571 6.2925 6.3198 6.3844 6.3879 6.4611 6.4705 6.4715 6.4965 6.5247 6.5366 6.7404 6.7786 6.8995 6.9051 7.0400 7.0502 7.0527 7.0658 7.9285 7.9345 8.0840 8.0941 8.2180 8.2237 8.7798 8.7945 8.8687 8.8865 8.9526 8.9892 10.5312 10.5389 11.4923 11.5399 11.5845 11.6065 11.6504 11.7018 12.2789 12.3166 12.5106 12.5287 12.6539 12.6585 k = 0.0000 0.1200-0.0000 ( 6503 PWs) bands (ev): -4.9218 -4.9217 -4.0167 -4.0165 -3.9336 -3.9327 -3.8949 -3.8941 -0.1512 -0.1444 0.0327 0.0364 0.1781 0.1869 0.3346 0.3396 3.7184 3.7204 3.7282 3.7364 3.7707 3.7736 4.5517 4.5539 4.5761 4.5918 4.5954 4.6107 4.6688 4.6696 4.7033 4.7321 4.8247 4.8422 4.9205 4.9309 4.9855 5.0384 5.4044 5.4240 5.6435 5.6640 5.7840 5.7886 5.8438 5.9099 5.9741 5.9745 6.0835 6.1106 6.1694 6.1745 6.2019 6.2140 6.2505 6.2564 6.3019 6.3367 6.4072 6.4155 6.4619 6.4695 6.4797 6.5047 6.5380 6.5579 6.7241 6.7682 6.8872 6.8928 7.0607 7.0807 7.0825 7.0933 7.9172 7.9259 8.0662 8.0748 8.2549 8.2615 8.7852 8.7994 8.8899 8.9062 8.9961 9.0306 10.5422 10.5513 11.4765 11.5345 11.5834 11.6210 11.6547 11.7103 12.1681 12.2176 12.4779 12.5039 12.6514 12.6574 k = 0.0000 0.1400-0.0000 ( 6499 PWs) bands (ev): -4.9106 -4.9106 -4.0329 -4.0327 -3.9310 -3.9299 -3.8893 -3.8883 -0.1784 -0.1716 0.0336 0.0385 0.1993 0.2087 0.3165 0.3226 3.7207 3.7234 3.7357 3.7439 3.7877 3.7905 4.5235 4.5460 4.5774 4.5796 4.5983 4.6166 4.6331 4.6469 4.6785 4.7049 4.8233 4.8412 4.9129 4.9178 4.9909 5.0424 5.3585 5.3909 5.6245 5.6576 5.7787 5.8207 5.8866 5.9469 5.9996 6.0035 6.0767 6.1066 6.1679 6.1778 6.1984 6.2128 6.2523 6.2548 6.3144 6.3546 6.4218 6.4376 6.4650 6.4683 6.4959 6.5167 6.5531 6.5822 6.7107 6.7593 6.8766 6.8822 7.0822 7.1052 7.1225 7.1315 7.9014 7.9142 8.0469 8.0524 8.2944 8.3022 8.7937 8.8071 8.9151 8.9310 9.0442 9.0769 10.5554 10.5657 11.4588 11.5262 11.5748 11.6325 11.6593 11.7155 12.0580 12.1188 12.4424 12.4736 12.6476 12.6555 k = 0.0000 0.1600-0.0000 ( 6491 PWs) bands (ev): -4.8978 -4.8978 -4.0503 -4.0500 -3.9280 -3.9268 -3.8841 -3.8831 -0.2043 -0.1976 0.0336 0.0397 0.2188 0.2290 0.2978 0.3049 3.7218 3.7252 3.7437 3.7523 3.8040 3.8070 4.4757 4.5066 4.5683 4.5773 4.6030 4.6135 4.6269 4.6471 4.6652 4.6844 4.8224 4.8417 4.9059 4.9069 4.9958 5.0433 5.3109 5.3560 5.5896 5.6576 5.7876 5.8479 5.9215 5.9731 6.0292 6.0362 6.0646 6.0973 6.1687 6.1832 6.1956 6.2131 6.2527 6.2539 6.3296 6.3724 6.4280 6.4558 6.4677 6.4725 6.5190 6.5320 6.5692 6.6068 6.7023 6.7531 6.8685 6.8742 7.1054 7.1301 7.1684 7.1757 7.8817 7.9003 8.0267 8.0271 8.3339 8.3434 8.8052 8.8176 8.9449 8.9611 9.0971 9.1282 10.5705 10.5821 11.4384 11.5143 11.5528 11.6332 11.6641 11.7144 11.9628 12.0300 12.4041 12.4369 12.6422 12.6529 k = 0.0000 0.1800-0.0000 ( 6495 PWs) bands (ev): -4.8835 -4.8834 -4.0689 -4.0685 -3.9247 -3.9233 -3.8794 -3.8782 -0.2288 -0.2221 0.0318 0.0395 0.2359 0.2477 0.2800 0.2875 3.7213 3.7254 3.7522 3.7612 3.8186 3.8222 4.4216 4.4488 4.5660 4.5666 4.5990 4.6078 4.6284 4.6510 4.6754 4.6813 4.8226 4.8438 4.8985 4.9006 4.9995 5.0408 5.2634 5.3208 5.5603 5.6477 5.8051 5.8673 5.9491 5.9903 6.0477 6.0605 6.0657 6.0834 6.1730 6.1904 6.1945 6.2168 6.2502 6.2552 6.3457 6.3895 6.4288 6.4672 6.4739 6.4851 6.5449 6.5490 6.5860 6.6268 6.7028 6.7505 6.8642 6.8700 7.1306 7.1565 7.2189 7.2234 7.8587 7.8850 7.9994 8.0061 8.3709 8.3825 8.8194 8.8309 8.9791 8.9964 9.1546 9.1841 10.5873 10.6000 11.4136 11.4915 11.5170 11.6032 11.6698 11.7114 11.9015 11.9593 12.3648 12.3939 12.6345 12.6492 k = 0.0000 0.2000-0.0000 ( 6507 PWs) bands (ev): -4.8676 -4.8675 -4.0885 -4.0882 -3.9211 -3.9196 -3.8752 -3.8739 -0.2516 -0.2449 0.0276 0.0369 0.2466 0.2647 0.2682 0.2716 3.7192 3.7238 3.7606 3.7703 3.8309 3.8353 4.3678 4.3913 4.5390 4.5498 4.5955 4.6106 4.6361 4.6572 4.6950 4.6979 4.8251 4.8482 4.8933 4.8979 5.0014 5.0345 5.2171 5.2861 5.5369 5.6346 5.8237 5.8779 5.9706 5.9992 6.0269 6.0648 6.0875 6.0906 6.1802 6.1928 6.2026 6.2253 6.2475 6.2573 6.3607 6.4047 6.4275 6.4692 6.4924 6.5018 6.5667 6.5701 6.6040 6.6378 6.7159 6.7527 6.8650 6.8707 7.1572 7.1841 7.2724 7.2735 7.8329 7.8687 7.9699 7.9856 8.4035 8.4175 8.8364 8.8471 9.0180 9.0368 9.2166 9.2448 10.6050 10.6190 11.3799 11.4315 11.4924 11.5363 11.6773 11.7154 11.8770 11.9075 12.3273 12.3462 12.6239 12.6444 k = 0.0000 0.2200-0.0000 ( 6507 PWs) bands (ev): -4.8502 -4.8501 -4.1094 -4.1090 -3.9173 -3.9157 -3.8714 -3.8699 -0.2725 -0.2657 0.0200 0.0308 0.2406 0.2581 0.2741 0.2802 3.7153 3.7203 3.7685 3.7792 3.8404 3.8460 4.3172 4.3379 4.5048 4.5173 4.6008 4.6176 4.6450 4.6638 4.7180 4.7260 4.8312 4.8557 4.8926 4.8990 5.0015 5.0248 5.1732 5.2529 5.5197 5.6217 5.8395 5.8806 5.9854 5.9975 6.0051 6.0445 6.1025 6.1149 6.1886 6.1951 6.2155 6.2361 6.2451 6.2633 6.3729 6.4130 6.4302 6.4722 6.5139 6.5209 6.5838 6.5912 6.6243 6.6430 6.7380 6.7607 6.8728 6.8778 7.1848 7.2121 7.3245 7.3277 7.8046 7.8516 7.9395 7.9661 8.4299 8.4466 8.8562 8.8663 9.0610 9.0818 9.2832 9.3101 10.6227 10.6378 11.3275 11.3484 11.4643 11.4720 11.6866 11.7234 11.8675 11.8710 12.2953 12.2967 12.6091 12.6384 k = 0.0000 0.2400-0.0000 ( 6495 PWs) bands (ev): -4.8313 -4.8312 -4.1313 -4.1309 -3.9133 -3.9115 -3.8680 -3.8664 -0.2913 -0.2844 0.0085 0.0205 0.2310 0.2482 0.2857 0.2938 3.7098 3.7151 3.7752 3.7872 3.8469 3.8540 4.2720 4.2905 4.4674 4.4793 4.6086 4.6260 4.6520 4.6672 4.7454 4.7564 4.8422 4.8674 4.8988 4.9060 4.9993 5.0124 5.1330 5.2216 5.5086 5.6107 5.8512 5.8765 5.9757 5.9922 5.9932 6.0230 6.1132 6.1333 6.1979 6.2005 6.2288 6.2420 6.2443 6.2764 6.3817 6.4110 6.4406 6.4757 6.5377 6.5405 6.5982 6.6067 6.6475 6.6503 6.7637 6.7758 6.8889 6.8924 7.2126 7.2396 7.3755 7.3834 7.7740 7.8325 7.9103 7.9483 8.4488 8.4682 8.8789 8.8884 9.1078 9.1306 9.3543 9.3799 10.6393 10.6548 11.2511 11.2587 11.4115 11.4496 11.6973 11.7321 11.8306 11.8687 12.2493 12.2717 12.5887 12.6311 k = 0.0000 0.2600-0.0000 ( 6495 PWs) bands (ev): -4.8111 -4.8110 -4.1544 -4.1540 -3.9091 -3.9073 -3.8650 -3.8634 -0.3077 -0.3008 -0.0073 0.0054 0.2248 0.2421 0.2967 0.3057 3.7029 3.7083 3.7798 3.7932 3.8508 3.8596 4.2336 4.2505 4.4284 4.4389 4.6166 4.6340 4.6551 4.6660 4.7722 4.7847 4.8586 4.8834 4.9155 4.9223 4.9947 4.9986 5.0981 5.1929 5.5031 5.6022 5.8583 5.8669 5.9491 5.9777 5.9870 6.0049 6.1212 6.1460 6.2086 6.2093 6.2353 6.2436 6.2505 6.2925 6.3872 6.4058 6.4514 6.4788 6.5585 6.5614 6.6079 6.6172 6.6652 6.6733 6.7910 6.7982 6.9136 6.9149 7.2395 7.2655 7.4257 7.4383 7.7411 7.8089 7.8855 7.9330 8.4587 8.4808 8.9044 8.9134 9.1575 9.1820 9.4295 9.4539 10.6528 10.6673 11.1654 11.1714 11.3734 11.4244 11.7081 11.7400 11.7927 11.8622 12.2079 12.2575 12.5611 12.6225 k = 0.0000 0.2800-0.0000 ( 6499 PWs) bands (ev): -4.7896 -4.7895 -4.1785 -4.1781 -3.9049 -3.9029 -3.8625 -3.8607 -0.3217 -0.3146 -0.0268 -0.0140 0.2226 0.2400 0.3062 0.3159 3.6948 3.7004 3.7812 3.7957 3.8533 3.8634 4.2036 4.2193 4.3885 4.3974 4.6232 4.6373 4.6543 4.6638 4.7938 4.8053 4.8813 4.9023 4.9436 4.9511 4.9858 4.9874 5.0714 5.1680 5.5026 5.5965 5.8526 5.8611 5.9219 5.9565 5.9664 5.9949 6.1274 6.1549 6.2197 6.2201 6.2355 6.2438 6.2622 6.3067 6.3904 6.3999 6.4600 6.4807 6.5736 6.5803 6.6151 6.6235 6.6892 6.7018 6.8206 6.8265 6.9452 6.9458 7.2648 7.2887 7.4744 7.4916 7.7061 7.7787 7.8681 7.9207 8.4586 8.4834 8.9328 8.9415 9.2092 9.2347 9.5088 9.5317 10.6612 10.6714 11.0870 11.0930 11.3408 11.3963 11.7134 11.7466 11.7591 11.8486 12.1751 12.2512 12.5259 12.6127 k = 0.0000 0.3000-0.0000 ( 6491 PWs) bands (ev): -4.7668 -4.7667 -4.2036 -4.2032 -3.9005 -3.8984 -3.8604 -3.8585 -0.3330 -0.3259 -0.0495 -0.0370 0.2241 0.2413 0.3140 0.3243 3.6861 3.6916 3.7782 3.7930 3.8559 3.8666 4.1829 4.1976 4.3481 4.3556 4.6242 4.6280 4.6533 4.6688 4.8080 4.8170 4.9079 4.9193 4.9678 4.9783 4.9884 4.9918 5.0579 5.1499 5.5064 5.5937 5.8344 5.8598 5.8944 5.9308 5.9406 5.9841 6.1327 6.1618 6.2279 6.2306 6.2377 6.2448 6.2729 6.3177 6.3921 6.3941 6.4657 6.4811 6.5854 6.5918 6.6225 6.6268 6.7210 6.7338 6.8536 6.8587 6.9823 6.9837 7.2880 7.3088 7.5212 7.5424 7.6691 7.7422 7.8581 7.9121 8.4476 8.4749 8.9644 8.9727 9.2615 9.2872 9.5916 9.6129 10.6624 10.6627 11.0255 11.0278 11.3099 11.3656 11.6923 11.7517 11.7530 11.8288 12.1505 12.2493 12.4837 12.6008 k = 0.0000 0.3200-0.0000 ( 6507 PWs) bands (ev): -4.7429 -4.7428 -4.2297 -4.2292 -3.8961 -3.8940 -3.8587 -3.8567 -0.3417 -0.3344 -0.0745 -0.0624 0.2285 0.2452 0.3202 0.3309 3.6770 3.6825 3.7703 3.7843 3.8603 3.8703 4.1716 4.1857 4.3076 4.3139 4.6089 4.6141 4.6579 4.6793 4.8167 4.8235 4.9247 4.9252 4.9708 4.9726 5.0216 5.0367 5.0675 5.1466 5.5136 5.5934 5.8126 5.8547 5.8669 5.9018 5.9131 5.9703 6.1377 6.1676 6.2287 6.2351 6.2469 6.2510 6.2815 6.3253 6.3888 6.3929 6.4686 6.4798 6.5941 6.5978 6.6280 6.6291 6.7586 6.7695 6.8895 6.8922 7.0244 7.0253 7.3093 7.3259 7.5651 7.5900 7.6307 7.7019 7.8536 7.9070 8.4253 8.4548 8.9990 9.0069 9.3128 9.3373 9.6773 9.6966 10.6395 10.6556 10.9774 10.9845 11.2799 11.3323 11.6579 11.7550 11.7652 11.8067 12.1310 12.2474 12.4363 12.5838 k = 0.0000 0.3400-0.0000 ( 6507 PWs) bands (ev): -4.7179 -4.7177 -4.2566 -4.2561 -3.8918 -3.8896 -3.8575 -3.8554 -0.3475 -0.3402 -0.1008 -0.0892 0.2350 0.2512 0.3247 0.3358 3.6680 3.6735 3.7579 3.7704 3.8667 3.8753 4.1691 4.1827 4.2676 4.2729 4.5846 4.5955 4.6666 4.6920 4.8217 4.8277 4.9176 4.9228 4.9649 4.9832 5.0534 5.0728 5.1111 5.1686 5.5235 5.5956 5.7874 5.8372 5.8472 5.8714 5.8849 5.9540 6.1426 6.1729 6.2274 6.2344 6.2575 6.2614 6.2878 6.3299 6.3845 6.3935 6.4689 6.4771 6.6002 6.6016 6.6278 6.6336 6.7999 6.8083 6.9255 6.9272 7.0685 7.0687 7.3297 7.3417 7.5901 7.6022 7.6351 7.6631 7.8527 7.9054 8.3915 8.4230 9.0367 9.0442 9.3611 9.3831 9.7652 9.7820 10.6054 10.6422 10.9408 10.9609 11.2505 11.2971 11.6280 11.7560 11.7811 11.7874 12.1130 12.2407 12.3857 12.5532 k = 0.0000 0.3600-0.0000 ( 6495 PWs) bands (ev): -4.6919 -4.6917 -4.2842 -4.2838 -3.8875 -3.8852 -3.8567 -3.8545 -0.3505 -0.3430 -0.1278 -0.1167 0.2429 0.2587 0.3275 0.3390 3.6596 3.6650 3.7423 3.7532 3.8751 3.8823 4.1740 4.1868 4.2286 4.2335 4.5568 4.5714 4.6770 4.7061 4.8242 4.8312 4.9050 4.9142 4.9574 4.9804 5.0908 5.1113 5.1688 5.2126 5.5353 5.5996 5.7586 5.8063 5.8320 5.8454 5.8570 5.9356 6.1478 6.1777 6.2256 6.2320 6.2676 6.2720 6.2923 6.3321 6.3817 6.3943 6.4669 6.4731 6.6045 6.6047 6.6269 6.6360 6.8434 6.8498 6.9576 6.9655 7.1096 7.1109 7.3514 7.3597 7.5506 7.5973 7.6614 7.6753 7.8539 7.9065 8.3469 8.3802 9.0775 9.0844 9.4039 9.4220 9.8543 9.8676 10.5671 10.6249 10.9151 10.9484 11.2218 11.2601 11.6074 11.7541 11.7754 11.7982 12.0939 12.2233 12.3355 12.5032 k = 0.0000 0.3800-0.0000 ( 6503 PWs) bands (ev): -4.6651 -4.6649 -4.3126 -4.3122 -3.8834 -3.8810 -3.8563 -3.8541 -0.3506 -0.3430 -0.1548 -0.1442 0.2518 0.2671 0.3287 0.3405 3.6521 3.6575 3.7250 3.7346 3.8854 3.8914 4.1804 4.1851 4.1955 4.2078 4.5267 4.5437 4.6884 4.7212 4.8240 4.8344 4.8933 4.9047 4.9484 4.9653 5.1361 5.1554 5.2288 5.2660 5.5481 5.6048 5.7258 5.7705 5.8078 5.8294 5.8304 5.9156 6.1533 6.1822 6.2235 6.2286 6.2765 6.2818 6.2951 6.3324 6.3806 6.3956 6.4629 6.4679 6.6075 6.6077 6.6255 6.6368 6.8879 6.8932 6.9878 7.0037 7.1435 7.1457 7.3754 7.3849 7.5144 7.5540 7.6935 7.7112 7.8557 7.9096 8.2926 8.3277 9.1211 9.1272 9.4387 9.4520 9.9435 9.9521 10.5303 10.6058 10.8985 10.9419 11.1938 11.2219 11.5979 11.7503 11.7716 11.8154 12.0729 12.1904 12.2900 12.4413 k = 0.0000 0.4000-0.0000 ( 6499 PWs) bands (ev): -4.6374 -4.6372 -4.3415 -4.3411 -3.8794 -3.8770 -3.8564 -3.8541 -0.3478 -0.3401 -0.1812 -0.1711 0.2611 0.2761 0.3283 0.3404 3.6460 3.6513 3.7075 3.7161 3.8978 3.9027 4.1510 4.1522 4.2046 4.2199 4.4952 4.5135 4.7004 4.7373 4.8206 4.8379 4.8850 4.8956 4.9387 4.9450 5.1860 5.2032 5.2878 5.3216 5.5607 5.6101 5.6888 5.7306 5.7840 5.8067 5.8150 5.8942 6.1592 6.1863 6.2211 6.2244 6.2839 6.2904 6.2970 6.3314 6.3815 6.3978 6.4572 6.4619 6.6097 6.6108 6.6239 6.6364 6.9324 6.9379 7.0162 7.0416 7.1652 7.1694 7.3917 7.4224 7.4957 7.5055 7.7260 7.7421 7.8570 7.9137 8.2303 8.2672 9.1671 9.1722 9.4630 9.4711 10.0313 10.0338 10.4977 10.5850 10.8908 10.9399 11.1661 11.1829 11.5997 11.7471 11.7733 11.8315 12.0514 12.1437 12.2495 12.3749 k = 0.0000 0.4200-0.0000 ( 6495 PWs) bands (ev): -4.6090 -4.6088 -4.3709 -4.3706 -3.8756 -3.8732 -3.8569 -3.8546 -0.3422 -0.3344 -0.2067 -0.1970 0.2707 0.2853 0.3264 0.3388 3.6416 3.6469 3.6910 3.6987 3.9123 3.9163 4.1161 4.1169 4.2249 4.2404 4.4628 4.4817 4.7130 4.7544 4.8138 4.8416 4.8811 4.8869 4.9230 4.9289 5.2382 5.2530 5.3438 5.3758 5.5715 5.6138 5.6479 5.6882 5.7632 5.7871 5.8002 5.8718 6.1655 6.1902 6.2184 6.2195 6.2898 6.2978 6.2980 6.3294 6.3845 6.4011 6.4502 6.4552 6.6115 6.6138 6.6223 6.6352 6.9758 6.9832 7.0423 7.0797 7.1732 7.1816 7.3759 7.4554 7.4730 7.5188 7.7545 7.7669 7.8576 7.9186 8.1626 8.2014 9.2148 9.2188 9.4748 9.4783 10.1108 10.1163 10.4691 10.5607 10.8933 10.9428 11.1381 11.1435 11.6121 11.7455 11.7778 11.8434 12.0328 12.0929 12.2101 12.3078 k = 0.0000 0.4400-0.0000 ( 6480 PWs) bands (ev): -4.5801 -4.5798 -4.4007 -4.4003 -3.8721 -3.8696 -3.8579 -3.8555 -0.3338 -0.3258 -0.2309 -0.2215 0.2801 0.2944 0.3231 0.3358 3.6391 3.6445 3.6762 3.6832 3.9292 3.9325 4.0828 4.0830 4.2488 4.2647 4.4300 4.4491 4.7260 4.7724 4.8039 4.8457 4.8787 4.8811 4.9010 4.9194 5.2915 5.3037 5.3943 5.4261 5.5780 5.6036 5.6129 5.6458 5.7473 5.7735 5.7850 5.8487 6.1722 6.1940 6.2139 6.2154 6.2940 6.2987 6.3041 6.3268 6.3896 6.4056 6.4419 6.4480 6.6128 6.6169 6.6207 6.6333 7.0168 7.0279 7.0662 7.1185 7.1705 7.1853 7.3390 7.4048 7.5333 7.5705 7.7751 7.7836 7.8589 7.9244 8.0925 8.1335 9.2633 9.2659 9.4733 9.4735 10.1815 10.1969 10.4426 10.5310 10.9061 10.9521 11.1042 11.1094 11.6341 11.7455 11.7815 11.8448 12.0226 12.0512 12.1699 12.2428 k = 0.0000 0.4600-0.0000 ( 6472 PWs) bands (ev): -4.5507 -4.5504 -4.4307 -4.4303 -3.8689 -3.8664 -3.8593 -3.8569 -0.3226 -0.3145 -0.2535 -0.2444 0.2892 0.3033 0.3184 0.3314 3.6389 3.6443 3.6636 3.6701 3.9485 3.9511 4.0513 4.0516 4.2753 4.2918 4.3974 4.4162 4.7392 4.7913 4.7922 4.8501 4.8692 4.8809 4.8839 4.9104 5.3452 5.3538 5.4353 5.4703 5.5573 5.5769 5.5986 5.6129 5.7387 5.7683 5.7701 5.8257 6.1793 6.1977 6.2076 6.2121 6.2968 6.2991 6.3093 6.3239 6.3965 6.4112 6.4329 6.4404 6.6141 6.6192 6.6199 6.6311 7.0541 7.0692 7.0871 7.1494 7.1697 7.1857 7.2963 7.3541 7.5987 7.6313 7.7801 7.7885 7.8668 7.9326 8.0246 8.0683 9.3112 9.3124 9.4573 9.4588 10.2445 10.2716 10.4151 10.4946 10.9282 10.9684 11.0653 11.0796 11.6648 11.7481 11.7803 11.8270 12.0265 12.0318 12.1300 12.1820 k = 0.0000 0.4800-0.0000 ( 6484 PWs) bands (ev): -4.5209 -4.5206 -4.4608 -4.4605 -3.8659 -3.8634 -3.8611 -3.8587 -0.3089 -0.3005 -0.2741 -0.2653 0.2978 0.3116 0.3125 0.3258 3.6412 3.6467 3.6535 3.6596 3.9704 3.9724 4.0218 4.0227 4.3038 4.3209 4.3652 4.3836 4.7526 4.7794 4.8110 4.8500 4.8578 4.8689 4.8886 4.9021 5.3985 5.4013 5.4557 5.4929 5.5236 5.5659 5.5755 5.5946 5.7384 5.7564 5.7726 5.8039 6.1864 6.2008 6.2014 6.2086 6.2983 6.2992 6.3136 6.3207 6.4048 6.4178 6.4234 6.4327 6.6152 6.6178 6.6229 6.6286 7.0868 7.0997 7.1042 7.1372 7.1917 7.2084 7.2534 7.3039 7.6636 7.6917 7.7618 7.7763 7.8865 7.9467 7.9649 8.0123 9.3567 9.3569 9.4311 9.4331 10.2992 10.3392 10.3835 10.4507 10.9573 10.9913 11.0273 11.0490 11.7029 11.7542 11.7733 11.7905 12.0376 12.0467 12.0925 12.1275 k = 0.0000 0.5000-0.0000 ( 6480 PWs) bands (ev): -4.4909 -4.4909 -4.4906 -4.4906 -3.8633 -3.8633 -3.8609 -3.8609 -0.2927 -0.2927 -0.2841 -0.2841 0.3056 0.3056 0.3191 0.3191 3.6460 3.6460 3.6518 3.6518 3.9948 3.9948 3.9963 3.9963 4.3339 4.3339 4.3517 4.3517 4.7661 4.7661 4.8312 4.8312 4.8620 4.8620 4.8948 4.8948 5.4405 5.4405 5.4505 5.4505 5.5452 5.5452 5.5774 5.5774 5.7452 5.7452 5.7854 5.7854 6.1937 6.1937 6.2050 6.2050 6.2990 6.2990 6.3173 6.3173 6.4139 6.4139 6.4250 6.4250 6.6165 6.6165 6.6258 6.6258 7.1108 7.1108 7.1146 7.1146 7.2153 7.2153 7.2550 7.2550 7.7209 7.7209 7.7430 7.7430 7.9187 7.9187 7.9717 7.9717 9.3969 9.3969 9.3983 9.3983 10.3454 10.3454 10.3990 10.3990 10.9909 10.9909 11.0189 11.0189 11.7463 11.7463 11.7633 11.7633 12.0603 12.0603 12.0815 12.0815 k = 0.0000 0.5000-0.0000 ( 6480 PWs) bands (ev): -4.4909 -4.4909 -4.4906 -4.4906 -3.8633 -3.8633 -3.8609 -3.8609 -0.2927 -0.2927 -0.2841 -0.2841 0.3056 0.3056 0.3191 0.3191 3.6460 3.6460 3.6518 3.6518 3.9948 3.9948 3.9963 3.9963 4.3339 4.3339 4.3517 4.3517 4.7661 4.7661 4.8312 4.8312 4.8620 4.8620 4.8948 4.8948 5.4405 5.4405 5.4505 5.4505 5.5452 5.5452 5.5774 5.5774 5.7452 5.7452 5.7854 5.7854 6.1937 6.1937 6.2050 6.2050 6.2990 6.2990 6.3173 6.3173 6.4139 6.4139 6.4250 6.4250 6.6165 6.6165 6.6258 6.6258 7.1108 7.1108 7.1146 7.1146 7.2153 7.2153 7.2550 7.2550 7.7209 7.7209 7.7430 7.7430 7.9187 7.9187 7.9717 7.9717 9.3969 9.3969 9.3983 9.3983 10.3454 10.3454 10.3990 10.3990 10.9909 10.9909 11.0189 11.0189 11.7463 11.7463 11.7633 11.7633 12.0603 12.0603 12.0815 12.0815 k = 0.0200 0.5000-0.0000 ( 6480 PWs) bands (ev): -4.4903 -4.4903 -4.4900 -4.4900 -3.8637 -3.8637 -3.8612 -3.8612 -0.2936 -0.2936 -0.2850 -0.2850 0.3050 0.3050 0.3184 0.3184 3.6489 3.6489 3.6548 3.6548 3.9942 3.9942 3.9959 3.9959 4.3297 4.3297 4.3478 4.3478 4.7675 4.7675 4.8350 4.8350 4.8604 4.8604 4.8951 4.8951 5.4408 5.4408 5.4512 5.4513 5.5418 5.5418 5.5796 5.5796 5.7436 5.7436 5.7837 5.7837 6.1928 6.1929 6.2056 6.2056 6.3005 6.3005 6.3198 6.3198 6.4142 6.4143 6.4264 6.4265 6.6158 6.6159 6.6257 6.6257 7.0987 7.0987 7.1271 7.1271 7.2139 7.2140 7.2631 7.2631 7.7221 7.7221 7.7454 7.7454 7.9186 7.9186 7.9714 7.9714 9.3966 9.3966 9.3992 9.3993 10.3432 10.3432 10.3971 10.3971 10.9866 10.9866 11.0173 11.0173 11.7333 11.7333 11.7806 11.7806 12.0287 12.0287 12.0986 12.0986 k = 0.0400 0.5000-0.0000 ( 6482 PWs) bands (ev): -4.4886 -4.4886 -4.4882 -4.4882 -3.8647 -3.8647 -3.8622 -3.8622 -0.2963 -0.2963 -0.2877 -0.2877 0.3031 0.3032 0.3164 0.3164 3.6577 3.6577 3.6639 3.6639 3.9925 3.9925 3.9948 3.9948 4.3177 4.3177 4.3365 4.3365 4.7707 4.7707 4.8447 4.8447 4.8567 4.8568 4.8963 4.8964 5.4416 5.4416 5.4535 5.4535 5.5335 5.5335 5.5845 5.5845 5.7394 5.7394 5.7794 5.7794 6.1906 6.1906 6.2068 6.2068 6.3045 6.3045 6.3266 6.3266 6.4155 6.4156 6.4304 6.4305 6.6141 6.6142 6.6253 6.6253 7.0869 7.0869 7.1382 7.1382 7.2161 7.2161 7.2820 7.2820 7.7260 7.7260 7.7526 7.7526 7.9185 7.9185 7.9710 7.9711 9.3966 9.3966 9.4013 9.4013 10.3368 10.3368 10.3911 10.3912 10.9749 10.9749 11.0119 11.0119 11.7177 11.7177 11.8077 11.8078 11.9778 11.9778 12.1083 12.1083 k = 0.0600 0.5000-0.0000 ( 6474 PWs) bands (ev): -4.4856 -4.4856 -4.4853 -4.4853 -3.8664 -3.8664 -3.8639 -3.8639 -0.3007 -0.3007 -0.2922 -0.2922 0.3002 0.3002 0.3132 0.3132 3.6720 3.6720 3.6786 3.6786 3.9898 3.9898 3.9928 3.9928 4.2993 4.2993 4.3189 4.3190 4.7734 4.7735 4.8434 4.8434 4.8666 4.8667 4.9001 4.9002 5.4423 5.4423 5.4569 5.4569 5.5229 5.5229 5.5901 5.5901 5.7338 5.7338 5.7737 5.7737 6.1876 6.1876 6.2079 6.2080 6.3102 6.3102 6.3362 6.3363 6.4186 6.4187 6.4367 6.4368 6.6117 6.6118 6.6245 6.6245 7.0778 7.0778 7.1435 7.1436 7.2274 7.2274 7.3055 7.3055 7.7332 7.7332 7.7645 7.7645 7.9185 7.9185 7.9715 7.9715 9.3972 9.3972 9.4041 9.4041 10.3260 10.3260 10.3811 10.3811 10.9579 10.9579 11.0019 11.0019 11.7035 11.7035 11.8367 11.8367 11.9207 11.9207 12.1065 12.1065 k = 0.0800 0.5000-0.0000 ( 6470 PWs) bands (ev): -4.4815 -4.4815 -4.4812 -4.4812 -3.8688 -3.8688 -3.8662 -3.8662 -0.3070 -0.3070 -0.2985 -0.2985 0.2963 0.2963 0.3089 0.3089 3.6913 3.6913 3.6986 3.6986 3.9861 3.9861 3.9898 3.9898 4.2763 4.2763 4.2966 4.2967 4.7726 4.7727 4.8316 4.8316 4.8877 4.8877 4.9088 4.9088 5.4419 5.4419 5.4607 5.4607 5.5125 5.5125 5.5958 5.5958 5.7285 5.7285 5.7683 5.7683 6.1841 6.1842 6.2087 6.2088 6.3160 6.3160 6.3471 6.3471 6.4239 6.4240 6.4453 6.4453 6.6090 6.6090 6.6233 6.6234 7.0714 7.0714 7.1444 7.1445 7.2459 7.2459 7.3301 7.3302 7.7437 7.7437 7.7811 7.7811 7.9188 7.9188 7.9747 7.9747 9.3984 9.3985 9.4077 9.4077 10.3110 10.3110 10.3665 10.3665 10.9374 10.9374 10.9876 10.9876 11.6880 11.6880 11.8397 11.8397 11.8868 11.8868 12.0993 12.0993 k = 0.1000 0.5000-0.0000 ( 6462 PWs) bands (ev): -4.4763 -4.4763 -4.4760 -4.4760 -3.8718 -3.8718 -3.8693 -3.8693 -0.3149 -0.3149 -0.3065 -0.3065 0.2916 0.2916 0.3037 0.3037 3.7148 3.7148 3.7230 3.7230 3.9816 3.9816 3.9860 3.9860 4.2503 4.2503 4.2712 4.2712 4.7661 4.7661 4.8158 4.8158 4.9108 4.9109 4.9246 4.9246 5.4393 5.4393 5.4633 5.4633 5.5053 5.5054 5.6015 5.6016 5.7251 5.7251 5.7645 5.7645 6.1807 6.1807 6.2093 6.2093 6.3207 6.3207 6.3573 6.3573 6.4317 6.4318 6.4559 6.4560 6.6064 6.6065 6.6221 6.6221 7.0671 7.0672 7.1436 7.1436 7.2672 7.2672 7.3531 7.3532 7.7566 7.7566 7.8028 7.8028 7.9200 7.9200 7.9841 7.9841 9.4004 9.4005 9.4121 9.4121 10.2917 10.2917 10.3472 10.3472 10.9149 10.9149 10.9699 10.9700 11.6682 11.6682 11.7818 11.7818 11.9124 11.9124 12.0940 12.0940 k = 0.1200 0.5000-0.0000 ( 6462 PWs) bands (ev): -4.4701 -4.4701 -4.4697 -4.4697 -3.8756 -3.8756 -3.8730 -3.8730 -0.3245 -0.3245 -0.3162 -0.3162 0.2864 0.2864 0.2980 0.2980 3.7415 3.7415 3.7510 3.7510 3.9763 3.9764 3.9814 3.9814 4.2229 4.2229 4.2441 4.2441 4.7534 4.7535 4.7966 4.7966 4.9336 4.9337 4.9483 4.9483 5.4335 5.4335 5.4626 5.4626 5.5049 5.5050 5.6076 5.6077 5.7248 5.7249 5.7629 5.7630 6.1775 6.1775 6.2098 6.2098 6.3237 6.3237 6.3655 6.3655 6.4415 6.4416 6.4681 6.4682 6.6044 6.6044 6.6210 6.6211 7.0645 7.0645 7.1424 7.1424 7.2877 7.2877 7.3721 7.3721 7.7697 7.7697 7.8283 7.8283 7.9241 7.9241 8.0032 8.0033 9.4032 9.4032 9.4173 9.4174 10.2682 10.2683 10.3229 10.3230 10.8917 10.8917 10.9499 10.9499 11.6415 11.6415 11.7176 11.7176 11.9432 11.9432 12.0958 12.0958 k = 0.1400 0.5000-0.0000 ( 6474 PWs) bands (ev): -4.4627 -4.4627 -4.4623 -4.4623 -3.8800 -3.8800 -3.8773 -3.8773 -0.3357 -0.3357 -0.3275 -0.3275 0.2810 0.2810 0.2920 0.2920 3.7698 3.7698 3.7810 3.7810 3.9707 3.9707 3.9762 3.9763 4.1956 4.1956 4.2167 4.2167 4.7356 4.7357 4.7743 4.7743 4.9575 4.9575 4.9765 4.9765 5.4250 5.4250 5.4589 5.4589 5.5112 5.5112 5.6144 5.6144 5.7282 5.7283 5.7641 5.7641 6.1749 6.1749 6.2105 6.2105 6.3250 6.3250 6.3712 6.3712 6.4525 6.4525 6.4809 6.4809 6.6035 6.6035 6.6208 6.6209 7.0626 7.0626 7.1410 7.1410 7.3051 7.3051 7.3855 7.3855 7.7808 7.7808 7.8511 7.8511 7.9392 7.9392 8.0344 8.0345 9.4066 9.4066 9.4234 9.4234 10.2408 10.2408 10.2940 10.2940 10.8687 10.8687 10.9287 10.9287 11.6064 11.6064 11.6555 11.6555 11.9721 11.9721 12.1069 12.1069 k = 0.1600 0.5000-0.0000 ( 6486 PWs) bands (ev): -4.4544 -4.4544 -4.4540 -4.4540 -3.8850 -3.8850 -3.8824 -3.8824 -0.3484 -0.3483 -0.3403 -0.3403 0.2756 0.2756 0.2859 0.2859 3.7975 3.7975 3.8112 3.8112 3.9652 3.9652 3.9712 3.9713 4.1700 4.1700 4.1904 4.1904 4.7141 4.7141 4.7494 4.7494 4.9835 4.9835 5.0066 5.0066 5.4155 5.4155 5.4540 5.4540 5.5214 5.5214 5.6221 5.6221 5.7353 5.7353 5.7679 5.7679 6.1732 6.1732 6.2116 6.2116 6.3248 6.3249 6.3747 6.3747 6.4633 6.4633 6.4929 6.4930 6.6042 6.6043 6.6220 6.6220 7.0607 7.0607 7.1391 7.1391 7.3181 7.3181 7.3925 7.3925 7.7896 7.7896 7.8617 7.8617 7.9752 7.9752 8.0777 8.0777 9.4107 9.4107 9.4302 9.4302 10.2099 10.2099 10.2609 10.2609 10.8466 10.8466 10.9071 10.9071 11.5624 11.5624 11.5988 11.5988 11.9985 11.9985 12.1260 12.1260 k = 0.1800 0.5000-0.0000 ( 6488 PWs) bands (ev): -4.4452 -4.4452 -4.4447 -4.4447 -3.8907 -3.8907 -3.8881 -3.8881 -0.3623 -0.3622 -0.3543 -0.3543 0.2703 0.2703 0.2800 0.2800 3.8216 3.8216 3.8383 3.8383 3.9609 3.9609 3.9675 3.9675 4.1480 4.1480 4.1669 4.1669 4.6900 4.6901 4.7226 4.7227 5.0113 5.0113 5.0380 5.0380 5.4069 5.4069 5.4491 5.4491 5.5337 5.5337 5.6304 5.6304 5.7456 5.7457 5.7742 5.7742 6.1726 6.1727 6.2132 6.2132 6.3235 6.3236 6.3764 6.3765 6.4727 6.4727 6.5032 6.5033 6.6073 6.6073 6.6252 6.6252 7.0581 7.0581 7.1364 7.1364 7.3262 7.3262 7.3932 7.3932 7.7968 7.7968 7.8624 7.8624 8.0292 8.0292 8.1311 8.1311 9.4152 9.4153 9.4377 9.4378 10.1762 10.1762 10.2247 10.2247 10.8257 10.8257 10.8857 10.8857 11.5115 11.5115 11.5480 11.5480 12.0229 12.0229 12.1501 12.1501 k = 0.2000 0.5000-0.0000 ( 6494 PWs) bands (ev): -4.4351 -4.4351 -4.4346 -4.4346 -3.8971 -3.8971 -3.8944 -3.8944 -0.3772 -0.3772 -0.3695 -0.3695 0.2653 0.2654 0.2744 0.2744 3.8383 3.8384 3.8580 3.8580 3.9589 3.9589 3.9663 3.9663 4.1321 4.1321 4.1484 4.1484 4.6645 4.6645 4.6947 4.6947 5.0408 5.0408 5.0703 5.0703 5.4002 5.4002 5.4447 5.4447 5.5469 5.5470 5.6391 5.6391 5.7588 5.7589 5.7828 5.7829 6.1734 6.1734 6.2152 6.2152 6.3213 6.3213 6.3769 6.3769 6.4799 6.4800 6.5110 6.5110 6.6129 6.6129 6.6310 6.6310 7.0544 7.0544 7.1324 7.1324 7.3290 7.3290 7.3879 7.3879 7.8039 7.8040 7.8597 7.8597 8.0934 8.0934 8.1917 8.1918 9.4203 9.4203 9.4460 9.4460 10.1408 10.1408 10.1870 10.1870 10.8062 10.8062 10.8648 10.8648 11.4589 11.4589 11.5001 11.5001 12.0457 12.0457 12.1760 12.1760 k = 0.2200 0.5000-0.0000 ( 6494 PWs) bands (ev): -4.4243 -4.4243 -4.4237 -4.4237 -3.9040 -3.9040 -3.9014 -3.9014 -0.3930 -0.3930 -0.3855 -0.3855 0.2609 0.2609 0.2692 0.2692 3.8454 3.8454 3.8665 3.8665 3.9579 3.9579 3.9677 3.9677 4.1253 4.1254 4.1382 4.1382 4.6383 4.6384 4.6663 4.6663 5.0716 5.0716 5.1035 5.1035 5.3961 5.3961 5.4415 5.4415 5.5606 5.5606 5.6477 5.6477 5.7744 5.7744 5.7936 5.7937 6.1754 6.1754 6.2175 6.2175 6.3181 6.3182 6.3765 6.3765 6.4849 6.4849 6.5162 6.5163 6.6210 6.6210 6.6394 6.6394 7.0490 7.0490 7.1268 7.1268 7.3267 7.3267 7.3772 7.3772 7.8123 7.8123 7.8570 7.8570 8.1628 8.1628 8.2565 8.2565 9.4257 9.4257 9.4549 9.4549 10.1053 10.1053 10.1496 10.1497 10.7878 10.7879 10.8445 10.8445 11.4079 11.4079 11.4533 11.4534 12.0669 12.0670 12.2013 12.2013 k = 0.2400 0.5000-0.0000 ( 6494 PWs) bands (ev): -4.4128 -4.4128 -4.4122 -4.4122 -3.9115 -3.9115 -3.9089 -3.9089 -0.4093 -0.4093 -0.4022 -0.4021 0.2569 0.2570 0.2646 0.2646 3.8435 3.8435 3.8643 3.8643 3.9534 3.9534 3.9681 3.9681 4.1298 4.1298 4.1402 4.1402 4.6125 4.6125 4.6383 4.6383 5.1035 5.1035 5.1375 5.1375 5.3951 5.3951 5.4400 5.4400 5.5743 5.5743 5.6559 5.6559 5.7917 5.7918 5.8065 5.8065 6.1787 6.1787 6.2194 6.2194 6.3141 6.3142 6.3754 6.3754 6.4879 6.4880 6.5194 6.5195 6.6312 6.6312 6.6500 6.6501 7.0417 7.0417 7.1194 7.1194 7.3195 7.3195 7.3618 7.3618 7.8226 7.8226 7.8561 7.8561 8.2335 8.2335 8.3219 8.3219 9.4316 9.4316 9.4647 9.4647 10.0714 10.0714 10.1148 10.1148 10.7703 10.7703 10.8246 10.8247 11.3594 11.3595 11.4073 11.4073 12.0866 12.0867 12.2243 12.2243 k = 0.2600 0.5000-0.0000 ( 6488 PWs) bands (ev): -4.4007 -4.4007 -4.4001 -4.4001 -3.9196 -3.9196 -3.9170 -3.9170 -0.4259 -0.4259 -0.4191 -0.4191 0.2536 0.2536 0.2606 0.2606 3.8355 3.8355 3.8555 3.8555 3.9431 3.9431 3.9624 3.9624 4.1445 4.1445 4.1547 4.1547 4.5875 4.5875 4.6114 4.6114 5.1360 5.1360 5.1720 5.1720 5.3975 5.3976 5.4407 5.4408 5.5878 5.5878 5.6638 5.6638 5.8102 5.8103 5.8214 5.8214 6.1829 6.1829 6.2207 6.2207 6.3092 6.3092 6.3735 6.3735 6.4902 6.4903 6.5214 6.5214 6.6429 6.6429 6.6622 6.6622 7.0326 7.0326 7.1101 7.1102 7.3078 7.3078 7.3423 7.3424 7.8352 7.8353 7.8581 7.8581 8.3022 8.3022 8.3844 8.3844 9.4388 9.4388 9.4760 9.4760 10.0413 10.0413 10.0843 10.0843 10.7530 10.7530 10.8048 10.8048 11.3138 11.3138 11.3621 11.3621 12.1045 12.1046 12.2441 12.2441 k = 0.2800 0.5000-0.0000 ( 6488 PWs) bands (ev): -4.3883 -4.3883 -4.3876 -4.3876 -3.9280 -3.9280 -3.9255 -3.9255 -0.4425 -0.4425 -0.4361 -0.4360 0.2508 0.2509 0.2572 0.2572 3.8241 3.8241 3.8433 3.8433 3.9283 3.9284 3.9503 3.9503 4.1667 4.1667 4.1771 4.1771 4.5639 4.5640 4.5860 4.5860 5.1684 5.1685 5.2063 5.2063 5.4037 5.4037 5.4441 5.4442 5.6012 5.6012 5.6714 5.6714 5.8290 5.8291 5.8387 5.8387 6.1874 6.1874 6.2206 6.2206 6.3031 6.3031 6.3703 6.3703 6.4930 6.4931 6.5230 6.5230 6.6554 6.6555 6.6750 6.6751 7.0217 7.0217 7.0990 7.0990 7.2919 7.2919 7.3197 7.3197 7.8502 7.8502 7.8640 7.8640 8.3652 8.3652 8.4402 8.4402 9.4484 9.4485 9.4899 9.4899 10.0169 10.0170 10.0599 10.0599 10.7352 10.7353 10.7844 10.7844 11.2706 11.2706 11.3180 11.3181 12.1206 12.1206 12.2601 12.2601 k = 0.3000 0.5000-0.0000 ( 6474 PWs) bands (ev): -4.3755 -4.3755 -4.3748 -4.3748 -3.9368 -3.9368 -3.9344 -3.9344 -0.4588 -0.4587 -0.4527 -0.4527 0.2486 0.2487 0.2544 0.2544 3.8110 3.8110 3.8298 3.8298 3.9109 3.9109 3.9341 3.9341 4.1925 4.1925 4.2030 4.2030 4.5422 4.5422 4.5625 4.5626 5.1998 5.1998 5.2391 5.2392 5.4142 5.4142 5.4508 5.4508 5.6151 5.6151 5.6792 5.6793 5.8475 5.8476 5.8584 5.8584 6.1915 6.1916 6.2190 6.2190 6.2957 6.2958 6.3650 6.3651 6.4977 6.4977 6.5251 6.5252 6.6683 6.6683 6.6880 6.6881 7.0093 7.0093 7.0863 7.0863 7.2724 7.2724 7.2948 7.2948 7.8662 7.8662 7.8754 7.8754 8.4191 8.4191 8.4855 8.4855 9.4627 9.4628 9.5085 9.5085 9.9996 9.9997 10.0424 10.0424 10.7163 10.7163 10.7629 10.7630 11.2295 11.2296 11.2754 11.2754 12.1347 12.1347 12.2720 12.2720 k = 0.3200 0.5000-0.0000 ( 6482 PWs) bands (ev): -4.3627 -4.3627 -4.3620 -4.3619 -3.9459 -3.9459 -3.9435 -3.9435 -0.4744 -0.4744 -0.4688 -0.4688 0.2470 0.2470 0.2521 0.2521 3.7976 3.7977 3.8162 3.8162 3.8921 3.8921 3.9157 3.9157 4.2189 4.2189 4.2294 4.2294 4.5224 4.5224 4.5412 4.5412 5.2286 5.2286 5.2688 5.2688 5.4292 5.4292 5.4611 5.4611 5.6301 5.6301 5.6881 5.6881 5.8659 5.8659 5.8797 5.8797 6.1940 6.1940 6.2159 6.2159 6.2872 6.2872 6.3568 6.3568 6.5047 6.5047 6.5289 6.5289 6.6807 6.6808 6.7006 6.7006 6.9956 6.9956 7.0720 7.0721 7.2499 7.2499 7.2685 7.2686 7.8819 7.8819 7.8938 7.8938 8.4604 8.4604 8.5171 8.5171 9.4841 9.4842 9.5341 9.5342 9.9900 9.9900 10.0318 10.0319 10.6953 10.6953 10.7396 10.7397 11.1903 11.1904 11.2345 11.2345 12.1472 12.1472 12.2797 12.2797 k = 0.3400 0.5000-0.0000 ( 6478 PWs) bands (ev): -4.3500 -4.3500 -4.3492 -4.3492 -3.9551 -3.9551 -3.9528 -3.9528 -0.4891 -0.4891 -0.4841 -0.4840 0.2457 0.2458 0.2503 0.2503 3.7848 3.7848 3.8032 3.8033 3.8730 3.8730 3.8965 3.8965 4.2442 4.2442 4.2545 4.2545 4.5047 4.5047 4.5222 4.5222 5.2540 5.2540 5.2937 5.2937 5.4485 5.4485 5.4749 5.4750 5.6475 5.6475 5.6992 5.6993 5.8842 5.8842 5.9017 5.9017 6.1933 6.1933 6.2120 6.2120 6.2777 6.2777 6.3452 6.3452 6.5137 6.5138 6.5356 6.5356 6.6922 6.6923 6.7122 6.7123 6.9813 6.9813 7.0567 7.0567 7.2253 7.2253 7.2418 7.2418 7.8996 7.8996 7.9167 7.9167 8.4865 8.4865 8.5331 8.5331 9.5150 9.5150 9.5689 9.5690 9.9875 9.9876 10.0277 10.0277 10.6712 10.6713 10.7137 10.7137 11.1531 11.1531 11.1959 11.1959 12.1581 12.1582 12.2834 12.2834 k = 0.3600 0.5000-0.0000 ( 6468 PWs) bands (ev): -4.3376 -4.3376 -4.3368 -4.3368 -3.9642 -3.9642 -3.9621 -3.9621 -0.5027 -0.5027 -0.4982 -0.4982 0.2449 0.2449 0.2489 0.2489 3.7732 3.7732 3.7916 3.7916 3.8541 3.8541 3.8774 3.8774 4.2675 4.2675 4.2775 4.2775 4.4892 4.4892 4.5053 4.5053 5.2751 5.2752 5.3128 5.3128 5.4701 5.4701 5.4912 5.4912 5.6690 5.6690 5.7142 5.7143 5.9023 5.9023 5.9238 5.9238 6.1881 6.1881 6.2076 6.2076 6.2674 6.2675 6.3301 6.3301 6.5236 6.5237 6.5464 6.5464 6.7021 6.7022 6.7226 6.7226 6.9669 6.9669 7.0406 7.0406 7.1999 7.1999 7.2154 7.2154 7.9206 7.9206 7.9425 7.9425 8.4963 8.4963 8.5336 8.5336 9.5564 9.5564 9.6137 9.6137 9.9912 9.9913 10.0286 10.0287 10.6433 10.6433 10.6844 10.6844 11.1182 11.1182 11.1599 11.1600 12.1680 12.1680 12.2835 12.2835 k = 0.3800 0.5000-0.0000 ( 6464 PWs) bands (ev): -4.3258 -4.3258 -4.3250 -4.3250 -3.9730 -3.9730 -3.9711 -3.9711 -0.5149 -0.5149 -0.5110 -0.5109 0.2444 0.2444 0.2478 0.2478 3.7632 3.7632 3.7816 3.7816 3.8362 3.8362 3.8589 3.8589 4.2882 4.2882 4.2979 4.2979 4.4758 4.4758 4.4906 4.4906 5.2923 5.2924 5.3265 5.3265 5.4912 5.4912 5.5078 5.5078 5.6957 5.6957 5.7346 5.7347 5.9194 5.9194 5.9453 5.9453 6.1786 6.1787 6.2023 6.2023 6.2570 6.2570 6.3118 6.3118 6.5341 6.5341 6.5611 6.5611 6.7097 6.7097 6.7310 6.7311 6.9534 6.9534 7.0241 7.0241 7.1750 7.1750 7.1898 7.1898 7.9451 7.9451 7.9704 7.9704 8.4908 8.4908 8.5205 8.5205 9.6078 9.6079 9.6672 9.6673 9.9995 9.9995 10.0332 10.0332 10.6109 10.6110 10.6510 10.6510 11.0866 11.0866 11.1271 11.1271 12.1770 12.1771 12.2807 12.2807 k = 0.4000 0.5000-0.0000 ( 6468 PWs) bands (ev): -4.3148 -4.3148 -4.3141 -4.3141 -3.9812 -3.9812 -3.9795 -3.9795 -0.5255 -0.5255 -0.5222 -0.5222 0.2442 0.2442 0.2470 0.2470 3.7552 3.7552 3.7734 3.7734 3.8196 3.8196 3.8415 3.8415 4.3062 4.3062 4.3154 4.3155 4.4644 4.4644 4.4778 4.4778 5.3062 5.3062 5.3358 5.3358 5.5089 5.5089 5.5225 5.5225 5.7282 5.7282 5.7613 5.7613 5.9347 5.9347 5.9652 5.9652 6.1659 6.1659 6.1956 6.1956 6.2465 6.2465 6.2908 6.2908 6.5459 6.5459 6.5780 6.5780 6.7142 6.7143 6.7369 6.7370 6.9419 6.9419 7.0076 7.0076 7.1519 7.1519 7.1657 7.1657 7.9726 7.9726 7.9999 7.9999 8.4725 8.4725 8.4970 8.4970 9.6672 9.6672 9.7269 9.7270 10.0106 10.0106 10.0398 10.0398 10.5743 10.5743 10.6132 10.6133 11.0595 11.0596 11.0976 11.0976 12.1857 12.1857 12.2755 12.2755 k = 0.4200 0.5000-0.0000 ( 6470 PWs) bands (ev): -4.3052 -4.3051 -4.3045 -4.3045 -3.9886 -3.9886 -3.9872 -3.9872 -0.5344 -0.5343 -0.5317 -0.5316 0.2441 0.2441 0.2464 0.2464 3.7494 3.7494 3.7670 3.7670 3.8050 3.8050 3.8256 3.8256 4.3214 4.3214 4.3300 4.3300 4.4550 4.4550 4.4668 4.4668 5.3173 5.3173 5.3417 5.3417 5.5223 5.5224 5.5337 5.5337 5.7655 5.7655 5.7935 5.7935 5.9467 5.9467 5.9820 5.9820 6.1518 6.1518 6.1882 6.1882 6.2359 6.2359 6.2678 6.2679 6.5593 6.5593 6.5952 6.5952 6.7156 6.7156 6.7397 6.7397 6.9336 6.9336 6.9916 6.9917 7.1318 7.1318 7.1441 7.1441 8.0024 8.0024 8.0300 8.0300 8.4455 8.4455 8.4668 8.4668 9.7312 9.7312 9.7888 9.7888 10.0229 10.0229 10.0468 10.0468 10.5346 10.5346 10.5716 10.5716 11.0379 11.0380 11.0718 11.0718 12.1943 12.1943 12.2685 12.2685 k = 0.4400 0.5000-0.0000 ( 6480 PWs) bands (ev): -4.2971 -4.2970 -4.2965 -4.2965 -3.9948 -3.9948 -3.9937 -3.9937 -0.5413 -0.5413 -0.5393 -0.5393 0.2442 0.2442 0.2459 0.2459 3.7459 3.7459 3.7620 3.7620 3.7932 3.7932 3.8116 3.8116 4.3339 4.3339 4.3413 4.3413 4.4478 4.4478 4.4576 4.4576 5.3262 5.3263 5.3449 5.3449 5.5320 5.5320 5.5411 5.5411 5.8053 5.8054 5.8289 5.8290 5.9539 5.9539 5.9923 5.9923 6.1396 6.1396 6.1812 6.1813 6.2251 6.2251 6.2443 6.2443 6.5742 6.5742 6.6104 6.6104 6.7144 6.7144 6.7389 6.7389 6.9294 6.9295 6.9767 6.9767 7.1156 7.1156 7.1256 7.1256 8.0333 8.0333 8.0592 8.0592 8.4145 8.4145 8.4336 8.4337 9.7954 9.7954 9.8475 9.8475 10.0348 10.0348 10.0530 10.0531 10.4946 10.4946 10.5279 10.5279 11.0224 11.0224 11.0500 11.0500 12.2031 12.2031 12.2603 12.2603 k = 0.4600 0.5000-0.0000 ( 6482 PWs) bands (ev): -4.2909 -4.2909 -4.2905 -4.2905 -3.9995 -3.9995 -3.9987 -3.9987 -0.5463 -0.5462 -0.5449 -0.5449 0.2443 0.2444 0.2455 0.2455 3.7448 3.7448 3.7577 3.7577 3.7854 3.7854 3.7998 3.7998 4.3436 4.3436 4.3491 4.3492 4.4429 4.4430 4.4501 4.4501 5.3334 5.3334 5.3460 5.3461 5.5387 5.5387 5.5451 5.5452 5.8446 5.8446 5.8644 5.8644 5.9549 5.9549 5.9916 5.9917 6.1346 6.1346 6.1749 6.1750 6.2142 6.2142 6.2230 6.2230 6.5898 6.5899 6.6209 6.6209 6.7129 6.7129 6.7346 6.7347 6.9297 6.9297 6.9631 6.9631 7.1041 7.1041 7.1111 7.1111 8.0631 8.0631 8.0842 8.0843 8.3856 8.3856 8.4014 8.4015 9.8543 9.8544 9.8960 9.8960 10.0452 10.0452 10.0575 10.0575 10.4593 10.4593 10.4859 10.4859 11.0130 11.0130 11.0326 11.0326 12.2122 12.2123 12.2512 12.2512 k = 0.4800 0.5000-0.0000 ( 6484 PWs) bands (ev): -4.2870 -4.2870 -4.2868 -4.2868 -4.0023 -4.0023 -4.0019 -4.0019 -0.5491 -0.5491 -0.5484 -0.5484 0.2446 0.2446 0.2451 0.2452 3.7460 3.7460 3.7533 3.7533 3.7826 3.7826 3.7907 3.7907 4.3503 4.3503 4.3533 4.3533 4.4408 4.4408 4.4446 4.4446 5.3389 5.3390 5.3453 5.3453 5.5431 5.5432 5.5465 5.5465 5.8788 5.8789 5.8939 5.8939 5.9518 5.9518 5.9781 5.9782 6.1399 6.1400 6.1664 6.1664 6.2045 6.2045 6.2090 6.2091 6.6049 6.6049 6.6234 6.6234 6.7144 6.7144 6.7277 6.7278 6.9339 6.9339 6.9512 6.9512 7.0977 7.0977 7.1014 7.1014 8.0878 8.0878 8.1003 8.1003 8.3658 8.3658 8.3754 8.3754 9.9010 9.9010 9.9250 9.9251 10.0531 10.0531 10.0595 10.0595 10.4364 10.4364 10.4517 10.4518 11.0097 11.0097 11.0198 11.0198 12.2218 12.2218 12.2416 12.2416 k = 0.5000 0.5000-0.0000 ( 6496 PWs) bands (ev): -4.2856 -4.2856 -4.2856 -4.2856 -4.0032 -4.0032 -4.0032 -4.0032 -0.5499 -0.5499 -0.5498 -0.5498 0.2448 0.2448 0.2449 0.2449 3.7490 3.7490 3.7491 3.7491 3.7847 3.7847 3.7847 3.7847 4.3536 4.3536 4.3536 4.3536 4.4413 4.4413 4.4414 4.4414 5.3429 5.3429 5.3429 5.3429 5.5457 5.5457 5.5457 5.5457 5.9004 5.9004 5.9005 5.9005 5.9587 5.9587 5.9588 5.9588 6.1528 6.1528 6.1529 6.1529 6.2027 6.2027 6.2027 6.2027 6.6171 6.6171 6.6172 6.6172 6.7200 6.7200 6.7201 6.7201 6.9413 6.9413 6.9413 6.9413 7.0968 7.0968 7.0968 7.0968 8.1018 8.1018 8.1018 8.1018 8.3618 8.3618 8.3619 8.3619 9.9268 9.9268 9.9268 9.9268 10.0581 10.0581 10.0581 10.0581 10.4333 10.4333 10.4334 10.4334 11.0121 11.0121 11.0121 11.0121 12.2317 12.2317 12.2317 12.2317 k = 0.5000 0.5000-0.0000 ( 6496 PWs) bands (ev): -4.2856 -4.2856 -4.2856 -4.2856 -4.0032 -4.0032 -4.0032 -4.0032 -0.5499 -0.5499 -0.5498 -0.5498 0.2448 0.2448 0.2449 0.2449 3.7490 3.7490 3.7491 3.7491 3.7847 3.7847 3.7847 3.7847 4.3536 4.3536 4.3536 4.3536 4.4413 4.4413 4.4414 4.4414 5.3429 5.3429 5.3429 5.3429 5.5457 5.5457 5.5457 5.5457 5.9004 5.9004 5.9005 5.9005 5.9587 5.9587 5.9588 5.9588 6.1528 6.1528 6.1529 6.1529 6.2027 6.2027 6.2027 6.2027 6.6171 6.6171 6.6172 6.6172 6.7200 6.7200 6.7201 6.7201 6.9413 6.9413 6.9413 6.9413 7.0968 7.0968 7.0968 7.0968 8.1018 8.1018 8.1018 8.1018 8.3618 8.3618 8.3619 8.3619 9.9268 9.9268 9.9268 9.9268 10.0581 10.0581 10.0581 10.0581 10.4333 10.4333 10.4334 10.4334 11.0121 11.0121 11.0121 11.0121 12.2317 12.2317 12.2317 12.2317 k = 0.4861 0.4861-0.0000 ( 6482 PWs) bands (ev): -4.2886 -4.2885 -4.2852 -4.2852 -4.0031 -4.0030 -4.0013 -4.0012 -0.5498 -0.5495 -0.5483 -0.5480 0.2444 0.2448 0.2453 0.2457 3.7297 3.7363 3.7468 3.7499 3.7842 3.7878 3.8009 3.8070 4.3484 4.3507 4.3534 4.3552 4.4410 4.4422 4.4429 4.4469 5.3376 5.3403 5.3434 5.3470 5.5417 5.5450 5.5459 5.5496 5.8785 5.8872 5.8987 5.9017 5.9484 5.9547 5.9627 5.9787 6.1257 6.1457 6.1582 6.1763 6.1905 6.1944 6.2178 6.2219 6.6027 6.6119 6.6211 6.6237 6.7143 6.7173 6.7251 6.7300 6.9291 6.9387 6.9449 6.9553 7.0934 7.0945 7.1040 7.1064 8.0808 8.0855 8.1001 8.1045 8.3546 8.3594 8.3763 8.3873 9.9017 9.9061 9.9120 9.9339 10.0501 10.0575 10.0662 10.0758 10.4286 10.4387 10.4464 10.4522 11.0045 11.0161 11.0167 11.0219 12.2164 12.2248 12.2363 12.2415 k = 0.4722 0.4722-0.0000 ( 6488 PWs) bands (ev): -4.2971 -4.2970 -4.2839 -4.2838 -4.0027 -4.0025 -3.9960 -3.9959 -0.5491 -0.5486 -0.5436 -0.5429 0.2437 0.2445 0.2465 0.2474 3.7086 3.7203 3.7301 3.7388 3.7997 3.8084 3.8244 3.8347 4.3372 4.3406 4.3546 4.3581 4.4425 4.4446 4.4493 4.4568 5.3312 5.3356 5.3413 5.3500 5.5349 5.5431 5.5460 5.5549 5.8460 5.8554 5.8858 5.8918 5.9302 5.9572 5.9672 5.9971 6.1038 6.1395 6.1582 6.1760 6.1961 6.2023 6.2346 6.2459 6.5833 6.6052 6.6197 6.6272 6.7090 6.7140 6.7346 6.7436 6.9203 6.9372 6.9496 6.9706 7.0967 7.0975 7.1153 7.1212 8.0387 8.0450 8.0948 8.1038 8.3409 8.3512 8.4175 8.4369 9.8594 9.8636 9.8757 9.9202 10.0390 10.0646 10.0777 10.1009 10.4300 10.4512 10.4838 10.4925 10.9965 11.0204 11.0316 11.0419 12.1961 12.2158 12.2388 12.2463 k = 0.4583 0.4583-0.0000 ( 6474 PWs) bands (ev): -4.3105 -4.3104 -4.2818 -4.2817 -4.0020 -4.0018 -3.9879 -3.9877 -0.5479 -0.5471 -0.5356 -0.5345 0.2428 0.2440 0.2487 0.2500 3.6890 3.7026 3.7163 3.7270 3.8192 3.8303 3.8530 3.8649 4.3226 4.3261 4.3571 4.3623 4.4450 4.4482 4.4589 4.4686 5.3237 5.3293 5.3368 5.3517 5.5245 5.5364 5.5490 5.5616 5.8078 5.8159 5.8668 5.8772 5.9025 5.9377 5.9817 6.0112 6.0927 6.1359 6.1551 6.1718 6.2060 6.2184 6.2501 6.2713 6.5621 6.5950 6.6167 6.6296 6.7022 6.7085 6.7455 6.7575 6.9170 6.9371 6.9555 6.9875 7.1052 7.1070 7.1302 7.1401 7.9884 7.9941 8.0873 8.1009 8.3203 8.3357 8.4715 8.4968 9.8003 9.8095 9.8412 9.8954 10.0182 10.0522 10.1055 10.1276 10.4388 10.4692 10.5395 10.5486 10.9880 11.0214 11.0569 11.0727 12.1717 12.2047 12.2393 12.2475 k = 0.4444 0.4444-0.0000 ( 6456 PWs) bands (ev): -4.3280 -4.3278 -4.2788 -4.2786 -4.0010 -4.0008 -3.9778 -3.9775 -0.5462 -0.5451 -0.5244 -0.5230 0.2415 0.2432 0.2518 0.2534 3.6714 3.6853 3.7059 3.7167 3.8401 3.8522 3.8850 3.8968 4.3064 4.3094 4.3609 4.3678 4.4488 4.4530 4.4697 4.4811 5.3149 5.3214 5.3299 5.3520 5.5090 5.5246 5.5534 5.5690 5.7678 5.7750 5.8428 5.8581 5.8674 5.9056 5.9951 6.0226 6.0909 6.1348 6.1527 6.1709 6.2183 6.2325 6.2634 6.2950 6.5411 6.5814 6.6155 6.6298 6.6933 6.7010 6.7536 6.7681 6.9198 6.9404 6.9627 7.0069 7.1177 7.1229 7.1475 7.1623 7.9364 7.9413 8.0776 8.0956 8.2930 8.3133 8.5286 8.5587 9.7370 9.7506 9.8087 9.8666 9.9875 10.0289 10.1337 10.1532 10.4573 10.4944 10.6041 10.6143 10.9794 11.0190 11.0906 11.1122 12.1442 12.1909 12.2384 12.2475 k = 0.4306 0.4306-0.0000 ( 6466 PWs) bands (ev): -4.3486 -4.3484 -4.2749 -4.2747 -3.9998 -3.9995 -3.9665 -3.9661 -0.5438 -0.5425 -0.5101 -0.5083 0.2400 0.2420 0.2557 0.2577 3.6560 3.6698 3.6982 3.7084 3.8615 3.8739 3.9192 3.9301 4.2899 4.2921 4.3659 4.3744 4.4535 4.4589 4.4807 4.4934 5.3047 5.3115 5.3209 5.3508 5.4875 5.5064 5.5581 5.5763 5.7294 5.7365 5.8114 5.8246 5.8400 5.8682 6.0066 6.0322 6.0939 6.1348 6.1529 6.1724 6.2302 6.2445 6.2745 6.3155 6.5212 6.5663 6.6152 6.6277 6.6821 6.6919 6.7565 6.7737 6.9251 6.9510 6.9710 7.0290 7.1340 7.1436 7.1662 7.1870 7.8859 7.8905 8.0654 8.0876 8.2598 8.2845 8.5831 8.6175 9.6751 9.6933 9.7785 9.8371 9.9491 9.9973 10.1587 10.1770 10.4871 10.5275 10.6704 10.6848 10.9715 11.0132 11.1308 11.1586 12.1148 12.1738 12.2368 12.2483 k = 0.4167 0.4167-0.0000 ( 6454 PWs) bands (ev): -4.3717 -4.3714 -4.2703 -4.2700 -3.9984 -3.9980 -3.9545 -3.9542 -0.5408 -0.5392 -0.4929 -0.4908 0.2381 0.2405 0.2603 0.2627 3.6431 3.6566 3.6930 3.7024 3.8825 3.8951 3.9551 3.9645 4.2741 4.2753 4.3722 4.3821 4.4592 4.4658 4.4917 4.5056 5.2928 5.2984 5.3103 5.3480 5.4592 5.4812 5.5616 5.5822 5.6938 5.7028 5.7721 5.7861 5.8165 5.8321 6.0162 6.0404 6.0995 6.1348 6.1561 6.1753 6.2405 6.2549 6.2840 6.3325 6.5031 6.5509 6.6131 6.6253 6.6690 6.6820 6.7541 6.7744 6.9294 6.9695 6.9808 7.0531 7.1531 7.1684 7.1854 7.2136 7.8384 7.8438 8.0501 8.0758 8.2218 8.2500 8.6308 8.6689 9.6178 9.6416 9.7519 9.8087 9.9054 9.9597 10.1805 10.1994 10.5277 10.5681 10.7335 10.7544 10.9665 11.0056 11.1760 11.2101 12.0843 12.1532 12.2351 12.2506 k = 0.4028 0.4028-0.0000 ( 6466 PWs) bands (ev): -4.3966 -4.3963 -4.2648 -4.2645 -3.9966 -3.9962 -3.9426 -3.9422 -0.5370 -0.5352 -0.4729 -0.4704 0.2358 0.2386 0.2655 0.2683 3.6325 3.6459 3.6903 3.6988 3.9023 3.9152 3.9924 3.9997 4.2598 4.2599 4.3795 4.3908 4.4656 4.4737 4.5025 4.5176 5.2775 5.2811 5.2983 5.3431 5.4261 5.4506 5.5612 5.5838 5.6584 5.6734 5.7374 5.7485 5.7910 5.7999 6.0237 6.0473 6.1071 6.1351 6.1613 6.1787 6.2483 6.2638 6.2920 6.3462 6.4870 6.5356 6.6063 6.6246 6.6545 6.6715 6.7475 6.7713 6.9334 6.9876 6.9954 7.0772 7.1737 7.1962 7.2052 7.2419 7.7952 7.8018 8.0309 8.0585 8.1811 8.2110 8.6680 8.7092 9.5667 9.5976 9.7308 9.7829 9.8593 9.9177 10.2017 10.2220 10.5755 10.6144 10.7876 10.8144 10.9704 11.0008 11.2250 11.2650 12.0535 12.1298 12.2333 12.2540 k = 0.3889 0.3889-0.0000 ( 6460 PWs) bands (ev): -4.4229 -4.4226 -4.2585 -4.2582 -3.9947 -3.9942 -3.9309 -3.9305 -0.5324 -0.5303 -0.4503 -0.4475 0.2331 0.2363 0.2712 0.2743 3.6245 3.6378 3.6899 3.6976 3.9201 3.9333 4.0304 4.0354 4.2469 4.2482 4.3878 4.4003 4.4727 4.4824 4.5133 4.5298 5.2536 5.2599 5.2846 5.3361 5.3927 5.4190 5.5500 5.5760 5.6170 5.6541 5.7140 5.7205 5.7632 5.7711 6.0295 6.0530 6.1162 6.1361 6.1672 6.1821 6.2537 6.2717 6.2992 6.3570 6.4730 6.5206 6.5961 6.6238 6.6398 6.6614 6.7385 6.7652 6.9375 6.9987 7.0165 7.0989 7.1947 7.2193 7.2327 7.2716 7.7570 7.7650 8.0066 8.0330 8.1405 8.1690 8.6922 8.7352 9.5222 9.5612 9.7170 9.7592 9.8166 9.8733 10.2251 10.2473 10.6234 10.6643 10.8253 10.8511 10.9922 11.0110 11.2770 11.3223 12.0231 12.1047 12.2311 12.2567 k = 0.3750 0.3750-0.0000 ( 6474 PWs) bands (ev): -4.4501 -4.4499 -4.2515 -4.2511 -3.9926 -3.9921 -3.9198 -3.9194 -0.5270 -0.5246 -0.4253 -0.4221 0.2301 0.2336 0.2773 0.2807 3.6188 3.6323 3.6920 3.6989 3.9349 3.9487 4.0680 4.0718 4.2375 4.2401 4.3968 4.4104 4.4800 4.4916 4.5244 4.5425 5.2195 5.2315 5.2693 5.3266 5.3647 5.3912 5.5188 5.5431 5.5907 5.6458 5.6913 5.7140 5.7341 5.7454 6.0338 6.0575 6.1263 6.1379 6.1734 6.1852 6.2571 6.2785 6.3057 6.3651 6.4609 6.5061 6.5837 6.6185 6.6277 6.6530 6.7279 6.7568 6.9415 7.0080 7.0352 7.1160 7.2149 7.2363 7.2682 7.3027 7.7245 7.7336 7.9757 7.9964 8.1032 8.1262 8.7021 8.7458 9.4823 9.5295 9.7078 9.7299 9.7938 9.8297 10.2533 10.2776 10.6603 10.7156 10.8404 10.8651 11.0275 11.0513 11.3315 11.3809 11.9943 12.0795 12.2278 12.2569 k = 0.3611 0.3611-0.0000 ( 6470 PWs) bands (ev): -4.4781 -4.4779 -4.2438 -4.2433 -3.9903 -3.9897 -3.9094 -3.9090 -0.5206 -0.5180 -0.3981 -0.3944 0.2266 0.2305 0.2835 0.2872 3.6156 3.6294 3.6962 3.7026 3.9460 3.9605 4.1038 4.1092 4.2325 4.2363 4.4063 4.4208 4.4874 4.5011 4.5363 4.5562 5.1771 5.1940 5.2520 5.3146 5.3447 5.3698 5.4694 5.4922 5.5830 5.6373 5.6781 5.7055 5.7131 5.7277 6.0371 6.0612 6.1366 6.1404 6.1795 6.1879 6.2590 6.2844 6.3116 6.3711 6.4508 6.4922 6.5703 6.6055 6.6202 6.6477 6.7165 6.7470 6.9447 7.0157 7.0489 7.1273 7.2336 7.2515 7.3057 7.3346 7.6977 7.7078 7.9371 7.9490 8.0692 8.0852 8.6985 8.7416 9.4446 9.4981 9.6724 9.7127 9.7972 9.8001 10.2881 10.3145 10.6760 10.7588 10.8358 10.8847 11.0701 11.1090 11.3884 11.4403 11.9686 12.0557 12.2233 12.2536 k = 0.3472 0.3472-0.0000 ( 6470 PWs) bands (ev): -4.5064 -4.5062 -4.2354 -4.2349 -3.9879 -3.9872 -3.8999 -3.8995 -0.5132 -0.5104 -0.3689 -0.3648 0.2228 0.2271 0.2897 0.2937 3.6148 3.6290 3.7025 3.7086 3.9530 3.9680 4.1376 4.1466 4.2327 4.2375 4.4159 4.4312 4.4947 4.5107 4.5494 4.5713 5.1296 5.1504 5.2320 5.2996 5.3312 5.3535 5.4105 5.4421 5.5780 5.6206 5.6675 5.6798 5.7099 5.7288 6.0398 6.0641 6.1429 6.1474 6.1854 6.1899 6.2600 6.2895 6.3172 6.3752 6.4421 6.4789 6.5566 6.5907 6.6120 6.6456 6.7046 6.7364 6.9465 7.0207 7.0566 7.1319 7.2503 7.2652 7.3422 7.3661 7.6762 7.6872 7.8908 7.8948 8.0356 8.0486 8.6841 8.7256 9.4068 9.4640 9.6201 9.6858 9.7975 9.8266 10.3307 10.3588 10.6705 10.7624 10.8525 10.9134 11.1155 11.1697 11.4475 11.4998 11.9478 12.0349 12.2175 12.2477 k = 0.3333 0.3333-0.0000 ( 6460 PWs) bands (ev): -4.5350 -4.5348 -4.2263 -4.2258 -3.9853 -3.9846 -3.8914 -3.8910 -0.5048 -0.5017 -0.3380 -0.3335 0.2186 0.2233 0.2957 0.3000 3.6163 3.6311 3.7107 3.7169 3.9560 3.9712 4.1691 4.1826 4.2382 4.2437 4.4253 4.4412 4.5015 4.5200 4.5642 4.5880 5.0805 5.1051 5.2084 5.2808 5.3203 5.3328 5.3577 5.3973 5.5714 5.5985 5.6450 5.6662 5.7150 5.7378 6.0421 6.0664 6.1459 6.1573 6.1905 6.1920 6.2602 6.2938 6.3226 6.3776 6.4345 6.4666 6.5431 6.5759 6.6032 6.6451 6.6925 6.7253 6.9462 7.0222 7.0583 7.1301 7.2644 7.2776 7.3742 7.3959 7.6580 7.6717 7.8352 7.8419 8.0021 8.0166 8.6620 8.7012 9.3676 9.4264 9.5652 9.6412 9.8252 9.8657 10.3813 10.4099 10.6522 10.7342 10.8874 10.9442 11.1596 11.2293 11.5090 11.5585 11.9338 12.0187 12.2115 12.2417 k = 0.3194 0.3194-0.0000 ( 6484 PWs) bands (ev): -4.5635 -4.5633 -4.2166 -4.2160 -3.9826 -3.9818 -3.8839 -3.8835 -0.4953 -0.4919 -0.3057 -0.3008 0.2141 0.2192 0.3014 0.3058 3.6200 3.6354 3.7205 3.7273 3.9556 3.9707 4.1978 4.2162 4.2485 4.2544 4.4339 4.4505 4.5077 4.5286 4.5809 4.6063 5.0325 5.0617 5.1801 5.2568 5.2783 5.3046 5.3420 5.3663 5.5553 5.5820 5.6191 5.6589 5.7261 5.7489 6.0441 6.0682 6.1484 6.1663 6.1923 6.1971 6.2597 6.2976 6.3279 6.3782 6.4276 6.4556 6.5301 6.5615 6.5949 6.6453 6.6803 6.7140 6.9431 7.0191 7.0543 7.1225 7.2751 7.2883 7.3975 7.4215 7.6392 7.6606 7.7768 7.7927 7.9722 7.9882 8.6350 8.6716 9.3270 9.3855 9.5102 9.5910 9.8633 9.9093 10.4379 10.4659 10.6310 10.7029 10.9148 10.9711 11.2013 11.2862 11.5725 11.6156 11.9275 12.0085 12.2067 12.2390 k = 0.3056 0.3056-0.0000 ( 6496 PWs) bands (ev): -4.5918 -4.5916 -4.2063 -4.2057 -3.9799 -3.9790 -3.8774 -3.8770 -0.4845 -0.4809 -0.2723 -0.2669 0.2093 0.2150 0.3064 0.3111 3.6257 3.6417 3.7318 3.7393 3.9526 3.9672 4.2237 4.2468 4.2626 4.2687 4.4413 4.4586 4.5130 4.5363 4.5999 4.6258 4.9880 5.0229 5.1472 5.2131 5.2341 5.2739 5.3399 5.3547 5.5290 5.5745 5.5956 5.6542 5.7398 5.7611 6.0460 6.0697 6.1503 6.1739 6.1939 6.2026 6.2582 6.3010 6.3332 6.3771 6.4209 6.4462 6.5181 6.5478 6.5876 6.6459 6.6682 6.7028 6.9367 7.0104 7.0454 7.1101 7.2814 7.2968 7.4083 7.4389 7.6149 7.6489 7.7228 7.7533 7.9495 7.9651 8.6052 8.6391 9.2851 9.3424 9.4559 9.5394 9.9009 9.9490 10.4904 10.5246 10.6184 10.6863 10.9288 10.9900 11.2410 11.3400 11.6369 11.6702 11.9279 12.0047 12.2053 12.2433 k = 0.2917 0.2917-0.0000 ( 6494 PWs) bands (ev): -4.6197 -4.6196 -4.1955 -4.1949 -3.9771 -3.9762 -3.8719 -3.8715 -0.4726 -0.4687 -0.2382 -0.2322 0.2044 0.2106 0.3106 0.3155 3.6333 3.6497 3.7441 3.7526 3.9480 3.9618 4.2469 4.2734 4.2794 4.2856 4.4472 4.4648 4.5177 4.5432 4.6206 4.6459 4.9483 4.9908 5.1112 5.1550 5.2026 5.2366 5.3442 5.3540 5.5015 5.5665 5.5787 5.6513 5.7547 5.7736 6.0477 6.0710 6.1517 6.1794 6.1966 6.2080 6.2559 6.3042 6.3384 6.3744 6.4141 6.4385 6.5072 6.5352 6.5812 6.6467 6.6563 6.6919 6.9267 6.9958 7.0327 7.0941 7.2815 7.3012 7.4046 7.4426 7.5832 7.6212 7.6886 7.7303 7.9368 7.9510 8.5739 8.6053 9.2426 9.2977 9.4030 9.4879 9.9287 9.9752 10.5206 10.5760 10.6330 10.7085 10.9301 10.9986 11.2798 11.3902 11.7001 11.7220 11.9317 12.0066 12.2093 12.2587 k = 0.2778 0.2778-0.0000 ( 6492 PWs) bands (ev): -4.6472 -4.6470 -4.1843 -4.1837 -3.9743 -3.9733 -3.8674 -3.8670 -0.4594 -0.4553 -0.2037 -0.1971 0.1995 0.2064 0.3139 0.3190 3.6424 3.6590 3.7572 3.7666 3.9423 3.9552 4.2681 4.2956 4.2977 4.3042 4.4511 4.4682 4.5224 4.5493 4.6425 4.6659 4.9143 4.9663 5.0747 5.0998 5.1693 5.1970 5.3522 5.3598 5.4763 5.5527 5.5723 5.6499 5.7700 5.7862 6.0493 6.0721 6.1524 6.1824 6.2007 6.2132 6.2524 6.3072 6.3432 6.3703 6.4070 6.4323 6.4976 6.5237 6.5756 6.6443 6.6478 6.6812 6.9127 6.9753 7.0171 7.0753 7.2713 7.2974 7.3903 7.4301 7.5469 7.5716 7.6809 7.7234 7.9356 7.9483 8.5419 8.5710 9.1998 9.2523 9.3517 9.4370 9.9371 9.9791 10.5394 10.5962 10.7000 10.7699 10.9221 10.9974 11.3183 11.4366 11.7574 11.7731 11.9349 12.0130 12.2202 12.2875 k = 0.2639 0.2639-0.0000 ( 6488 PWs) bands (ev): -4.6740 -4.6739 -4.1726 -4.1720 -3.9714 -3.9704 -3.8640 -3.8635 -0.4449 -0.4406 -0.1692 -0.1619 0.1948 0.2025 0.3159 0.3212 3.6527 3.6693 3.7705 3.7807 3.9361 3.9478 4.2880 4.3146 4.3159 4.3233 4.4527 4.4684 4.5281 4.5553 4.6642 4.6847 4.8859 4.9489 5.0397 5.0515 5.1343 5.1557 5.3616 5.3723 5.4549 5.5405 5.5695 5.6498 5.7853 5.7985 6.0507 6.0730 6.1526 6.1838 6.2055 6.2179 6.2480 6.3097 6.3475 6.3654 6.3994 6.4272 6.4893 6.5136 6.5707 6.6329 6.6484 6.6709 6.8946 6.9496 6.9994 7.0541 7.2445 7.2785 7.3754 7.4075 7.5066 7.5166 7.6861 7.7277 7.9451 7.9567 8.5094 8.5368 9.1574 9.2069 9.3023 9.3873 9.9199 9.9569 10.5666 10.6219 10.7870 10.8505 10.9097 10.9898 11.3570 11.4794 11.8033 11.8252 11.9347 12.0233 12.2392 12.3280 k = 0.2500 0.2500-0.0000 ( 6500 PWs) bands (ev): -4.7001 -4.6999 -4.1606 -4.1599 -3.9687 -3.9676 -3.8614 -3.8610 -0.4291 -0.4246 -0.1354 -0.1272 0.1906 0.1992 0.3166 0.3220 3.6637 3.6799 3.7833 3.7942 3.9295 3.9399 4.3066 4.3308 4.3346 4.3418 4.4522 4.4663 4.5357 4.5618 4.6847 4.7014 4.8619 4.9350 5.0033 5.0198 5.0987 5.1129 5.3719 5.3900 5.4386 5.5325 5.5678 5.6511 5.8002 5.8102 6.0516 6.0737 6.1523 6.1843 6.2099 6.2218 6.2427 6.3114 6.3510 6.3602 6.3917 6.4226 6.4822 6.5047 6.5662 6.6216 6.6478 6.6616 6.8726 6.9199 6.9803 7.0302 7.1991 7.2414 7.3653 7.3852 7.4564 7.4680 7.6988 7.7390 7.9624 7.9737 8.4768 8.5028 9.1158 9.1619 9.2549 9.3389 9.8776 9.9111 10.6050 10.6615 10.8739 10.9054 10.9397 10.9820 11.3958 11.5188 11.8379 11.8742 11.9307 12.0395 12.2658 12.3746 k = 0.2361 0.2361-0.0000 ( 6492 PWs) bands (ev): -4.7253 -4.7252 -4.1482 -4.1475 -3.9659 -3.9649 -3.8599 -3.8594 -0.4120 -0.4073 -0.1027 -0.0935 0.1873 0.1970 0.3157 0.3213 3.6750 3.6904 3.7949 3.8062 3.9223 3.9314 4.3239 4.3461 4.3522 4.3604 4.4500 4.4645 4.5449 4.5692 4.7031 4.7156 4.8404 4.9166 4.9752 5.0016 5.0645 5.0704 5.3818 5.4090 5.4315 5.5298 5.5672 5.6537 5.8143 5.8215 6.0517 6.0743 6.1517 6.1843 6.2134 6.2247 6.2372 6.3117 6.3519 6.3566 6.3844 6.4181 6.4763 6.4970 6.5619 6.6104 6.6426 6.6562 6.8473 6.8871 6.9605 7.0032 7.1409 7.1920 7.3508 7.3658 7.4045 7.4266 7.7163 7.7546 7.9845 7.9961 8.4441 8.4691 9.0754 9.1181 9.2095 9.2918 9.8160 9.8476 10.6463 10.7031 10.8927 10.9796 10.9843 11.0357 11.4350 11.5554 11.8586 11.9184 11.9249 12.0640 12.2976 12.4178 k = 0.2222 0.2222-0.0000 ( 6492 PWs) bands (ev): -4.7496 -4.7495 -4.1356 -4.1349 -3.9633 -3.9622 -3.8591 -3.8587 -0.3937 -0.3887 -0.0720 -0.0617 0.1854 0.1963 0.3132 0.3190 3.6859 3.7003 3.8046 3.8159 3.9141 3.9221 4.3401 4.3616 4.3687 4.3794 4.4483 4.4655 4.5552 4.5776 4.7184 4.7269 4.8209 4.8908 4.9571 4.9915 5.0246 5.0428 5.3873 5.4182 5.4471 5.5332 5.5678 5.6580 5.8268 5.8327 6.0505 6.0744 6.1510 6.1840 6.2153 6.2255 6.2327 6.3100 6.3474 6.3578 6.3777 6.4134 6.4711 6.4902 6.5576 6.5991 6.6317 6.6549 6.8198 6.8523 6.9391 6.9721 7.0766 7.1399 7.3149 7.3396 7.3685 7.3976 7.7372 7.7729 8.0084 8.0209 8.4115 8.4357 9.0367 9.0759 9.1662 9.2463 9.7419 9.7723 10.6765 10.7288 10.9178 10.9988 11.0825 11.1313 11.4754 11.5899 11.8650 11.9137 11.9644 12.0959 12.3309 12.4465 k = 0.2083 0.2083-0.0000 ( 6488 PWs) bands (ev): -4.7728 -4.7727 -4.1227 -4.1221 -3.9607 -3.9596 -3.8593 -3.8588 -0.3741 -0.3689 -0.0440 -0.0328 0.1858 0.1979 0.3090 0.3149 3.6961 3.7090 3.8115 3.8227 3.9046 3.9114 4.3556 4.3786 4.3851 4.3987 4.4502 4.4705 4.5660 4.5865 4.7294 4.7354 4.8044 4.8646 4.9337 4.9797 4.9912 5.0343 5.3871 5.4259 5.4754 5.5435 5.5700 5.6645 5.8366 5.8444 6.0473 6.0738 6.1505 6.1832 6.2137 6.2240 6.2310 6.3062 6.3417 6.3599 6.3716 6.4086 6.4665 6.4840 6.5530 6.5870 6.6176 6.6543 6.7916 6.8163 6.9121 6.9377 7.0126 7.0929 7.2670 7.2917 7.3540 7.3792 7.7602 7.7930 8.0325 8.0461 8.3792 8.4029 9.0000 9.0358 9.1250 9.2022 9.6606 9.6901 10.6857 10.7318 10.9699 11.0434 11.1795 11.2267 11.5182 11.6236 11.8613 11.9037 12.0074 12.1317 12.3627 12.4587 k = 0.1944 0.1944-0.0000 ( 6496 PWs) bands (ev): -4.7949 -4.7948 -4.1097 -4.1091 -3.9583 -3.9572 -3.8602 -3.8597 -0.3532 -0.3478 -0.0199 -0.0077 0.1893 0.2024 0.3029 0.3090 3.7050 3.7162 3.8151 3.8258 3.8931 3.8992 4.3716 4.3980 4.4019 4.4188 4.4579 4.4801 4.5764 4.5955 4.7341 4.7423 4.7927 4.8433 4.9016 4.9409 4.9930 5.0378 5.3857 5.4347 5.5065 5.5604 5.5743 5.6737 5.8442 5.8562 6.0415 6.0717 6.1504 6.1822 6.2082 6.2229 6.2299 6.3005 6.3358 6.3619 6.3649 6.4040 6.4623 6.4781 6.5477 6.5725 6.6011 6.6526 6.7644 6.7805 6.8721 6.8996 6.9599 7.0549 7.2182 7.2408 7.3399 7.3626 7.7846 7.8142 8.0552 8.0699 8.3475 8.3707 8.9656 8.9981 9.0859 9.1598 9.5761 9.6046 10.6777 10.7198 11.0383 11.1078 11.2709 11.3188 11.5654 11.6578 11.8514 11.8951 12.0492 12.1683 12.3908 12.4628 k = 0.1806 0.1806-0.0000 ( 6492 PWs) bands (ev): -4.8158 -4.8157 -4.0967 -4.0960 -3.9560 -3.9549 -3.8619 -3.8614 -0.3312 -0.3256 -0.0003 0.0122 0.1966 0.2106 0.2950 0.3015 3.7124 3.7217 3.8151 3.8253 3.8795 3.8850 4.3891 4.4182 4.4220 4.4404 4.4715 4.4945 4.5858 4.6036 4.7336 4.7467 4.7858 4.8293 4.8665 4.9050 4.9989 5.0460 5.3860 5.4427 5.5373 5.5817 5.5823 5.6867 5.8499 5.8673 6.0322 6.0671 6.1507 6.1808 6.2009 6.2210 6.2284 6.2933 6.3304 6.3556 6.3643 6.4003 6.4583 6.4723 6.5407 6.5530 6.5841 6.6487 6.7371 6.7497 6.8220 6.8500 6.9302 7.0255 7.1725 7.1919 7.3223 7.3439 7.8096 7.8360 8.0755 8.0912 8.3167 8.3396 8.9338 8.9631 9.0490 9.1190 9.4913 9.5186 10.6611 10.7000 11.1126 11.1807 11.3517 11.4034 11.6185 11.6944 11.8384 11.8922 12.0897 12.2039 12.4147 12.4665 k = 0.1667 0.1667-0.0000 ( 6501 PWs) bands (ev): -4.8354 -4.8353 -4.0835 -4.0829 -3.9538 -3.9527 -3.8643 -3.8638 -0.3081 -0.3023 0.0142 0.0264 0.2080 0.2223 0.2855 0.2926 3.7179 3.7255 3.8114 3.8211 3.8638 3.8691 4.4087 4.4384 4.4476 4.4645 4.4905 4.5137 4.5934 4.6101 4.7314 4.7483 4.7797 4.8225 4.8329 4.8759 5.0053 5.0552 5.3889 5.4500 5.5635 5.5948 5.6061 5.7042 5.8537 5.8776 6.0189 6.0588 6.1515 6.1792 6.1940 6.2168 6.2271 6.2849 6.3257 6.3437 6.3653 6.3978 6.4543 6.4662 6.5211 6.5354 6.5696 6.6403 6.7068 6.7294 6.7684 6.7999 6.9145 7.0028 7.1314 7.1472 7.3004 7.3215 7.8347 7.8579 8.0927 8.1090 8.2873 8.3098 8.9047 8.9312 9.0144 9.0801 9.4083 9.4342 10.6414 10.6768 11.1860 11.2539 11.4184 11.4753 11.6724 11.7370 11.8248 11.9029 12.1293 12.2378 12.4352 12.4744 k = 0.1528 0.1528-0.0000 ( 6501 PWs) bands (ev): -4.8536 -4.8535 -4.0704 -4.0698 -3.9518 -3.9508 -3.8674 -3.8669 -0.2839 -0.2779 0.0239 0.0352 0.2216 0.2362 0.2753 0.2836 3.7217 3.7275 3.8044 3.8137 3.8464 3.8517 4.4299 4.4606 4.4742 4.4924 4.5146 4.5380 4.5989 4.6146 4.7295 4.7486 4.7696 4.8024 4.8233 4.8571 5.0107 5.0631 5.3948 5.4571 5.5817 5.6138 5.6311 5.7258 5.8552 5.8867 6.0014 6.0456 6.1525 6.1765 6.1893 6.2095 6.2259 6.2756 6.3211 6.3291 6.3642 6.3957 6.4501 6.4592 6.4874 6.5242 6.5575 6.6248 6.6790 6.7015 6.7307 6.7596 6.9048 6.9850 7.0955 7.1081 7.2745 7.2951 7.8592 7.8793 8.1062 8.1227 8.2600 8.2819 8.8783 8.9026 8.9822 9.0432 9.3286 9.3532 10.6211 10.6527 11.2541 11.3218 11.4708 11.5301 11.7067 11.7831 11.8279 11.9371 12.1693 12.2701 12.4545 12.4884 k = 0.1389 0.1389-0.0000 ( 6491 PWs) bands (ev): -4.8704 -4.8704 -4.0574 -4.0568 -3.9500 -3.9490 -3.8712 -3.8707 -0.2587 -0.2525 0.0297 0.0397 0.2317 0.2464 0.2692 0.2793 3.7236 3.7280 3.7948 3.8037 3.8279 3.8334 4.4514 4.4828 4.4999 4.5253 4.5435 4.5676 4.6023 4.6176 4.7244 4.7488 4.7553 4.7848 4.8264 4.8488 5.0146 5.0688 5.4036 5.4647 5.5954 5.6336 5.6569 5.7495 5.8539 5.8945 5.9802 6.0268 6.1534 6.1718 6.1881 6.1990 6.2248 6.2656 6.3104 6.3183 6.3590 6.3913 6.4426 6.4488 6.4608 6.5117 6.5464 6.6034 6.6486 6.6577 6.7209 6.7355 6.8990 6.9709 7.0646 7.0756 7.2450 7.2650 7.8823 7.8994 8.1156 8.1316 8.2356 8.2565 8.8549 8.8772 8.9527 9.0087 9.2534 9.2768 10.6016 10.6290 11.3139 11.3812 11.5109 11.5678 11.7154 11.7794 11.9011 11.9961 12.2117 12.3023 12.4750 12.5074 k = 0.1250 0.1250-0.0000 ( 6507 PWs) bands (ev): -4.8858 -4.8858 -4.0445 -4.0439 -3.9483 -3.9474 -3.8756 -3.8751 -0.2326 -0.2262 0.0326 0.0411 0.2287 0.2392 0.2797 0.2878 3.7240 3.7271 3.7832 3.7920 3.8091 3.8147 4.4719 4.5020 4.5259 4.5598 4.5764 4.5995 4.6060 4.6215 4.7131 4.7332 4.7592 4.7826 4.8311 4.8477 5.0165 5.0714 5.4155 5.4729 5.6070 5.6525 5.6815 5.7720 5.8482 5.8996 5.9571 6.0024 6.1531 6.1659 6.1845 6.1905 6.2234 6.2551 6.2942 6.3110 6.3462 6.3817 6.4249 6.4422 6.4519 6.4993 6.5344 6.5811 6.6081 6.6239 6.7147 6.7316 6.8962 6.9600 7.0386 7.0499 7.2126 7.2318 7.9031 7.9174 8.1207 8.1356 8.2151 8.2341 8.8344 8.8553 8.9259 8.9770 9.1833 9.2061 10.5834 10.6067 11.3641 11.4304 11.5409 11.5912 11.7101 11.7635 11.9960 12.0716 12.2579 12.3363 12.4979 12.5292 k = 0.1111 0.1111-0.0000 ( 6515 PWs) bands (ev): -4.8997 -4.8997 -4.0317 -4.0312 -3.9468 -3.9459 -3.8806 -3.8801 -0.2057 -0.1992 0.0334 0.0406 0.2151 0.2234 0.2979 0.3045 3.7230 3.7251 3.7707 3.7792 3.7905 3.7963 4.4905 4.5179 4.5498 4.5844 4.6065 4.6125 4.6280 4.6392 4.7052 4.7206 4.7709 4.7903 4.8365 4.8507 5.0166 5.0706 5.4300 5.4817 5.6158 5.6721 5.7034 5.7899 5.8363 5.9004 5.9363 5.9736 6.1475 6.1589 6.1734 6.1919 6.2210 6.2444 6.2799 6.2985 6.3292 6.3703 6.4136 6.4329 6.4499 6.4887 6.5203 6.5610 6.5724 6.5917 6.7142 6.7376 6.8963 6.9518 7.0176 7.0300 7.1785 7.1967 7.9207 7.9322 8.1219 8.1354 8.1987 8.2151 8.8169 8.8368 8.9021 8.9483 9.1187 9.1417 10.5669 10.5863 11.4049 11.4693 11.5619 11.6034 11.6987 11.7469 12.0947 12.1547 12.3083 12.3733 12.5225 12.5517 k = 0.0972 0.0972-0.0000 ( 6503 PWs) bands (ev): -4.9121 -4.9120 -4.0192 -4.0188 -3.9455 -3.9447 -3.8863 -3.8858 -0.1782 -0.1715 0.0329 0.0389 0.1970 0.2046 0.3171 0.3227 3.7209 3.7222 3.7578 3.7662 3.7729 3.7790 4.5069 4.5312 4.5667 4.5911 4.6091 4.6330 4.6505 4.6770 4.7102 4.7286 4.7854 4.8038 4.8421 4.8568 5.0149 5.0663 5.4464 5.4908 5.6204 5.6933 5.7215 5.7990 5.8173 5.8937 5.9223 5.9438 6.1326 6.1517 6.1676 6.1928 6.2165 6.2361 6.2682 6.2827 6.3169 6.3581 6.4025 6.4191 6.4514 6.4806 6.5043 6.5429 6.5462 6.5629 6.7200 6.7478 6.8989 6.9463 7.0015 7.0148 7.1441 7.1609 7.9339 7.9430 8.1205 8.1330 8.1859 8.1990 8.8024 8.8220 8.8814 8.9232 9.0599 9.0841 10.5525 10.5682 11.4376 11.4988 11.5750 11.6067 11.6849 11.7311 12.1922 12.2390 12.3616 12.4136 12.5475 12.5736 k = 0.0833 0.0833-0.0000 ( 6509 PWs) bands (ev): -4.9229 -4.9228 -4.0069 -4.0065 -3.9443 -3.9436 -3.8925 -3.8920 -0.1501 -0.1433 0.0318 0.0366 0.1764 0.1836 0.3355 0.3402 3.7179 3.7189 3.7454 3.7536 3.7566 3.7630 4.5210 4.5425 4.5748 4.5910 4.6069 4.6241 4.6890 4.7179 4.7261 4.7594 4.8022 4.8220 4.8483 4.8663 5.0118 5.0590 5.4629 5.5000 5.6197 5.7150 5.7340 5.7848 5.8050 5.8805 5.9123 5.9213 6.1160 6.1392 6.1657 6.1915 6.2127 6.2325 6.2586 6.2711 6.3074 6.3438 6.3867 6.4002 6.4544 6.4747 6.4902 6.5238 6.5314 6.5395 6.7307 6.7605 6.9039 6.9432 6.9898 7.0033 7.1105 7.1258 7.9419 7.9489 8.1187 8.1309 8.1750 8.1851 8.7911 8.8107 8.8638 8.9019 9.0068 9.0334 10.5400 10.5526 11.4638 11.5203 11.5814 11.6035 11.6713 11.7168 12.2845 12.3196 12.4157 12.4562 12.5717 12.5937 k = 0.0694 0.0694-0.0000 ( 6509 PWs) bands (ev): -4.9320 -4.9320 -3.9950 -3.9946 -3.9434 -3.9428 -3.8992 -3.8988 -0.1216 -0.1146 0.0304 0.0341 0.1539 0.1610 0.3522 0.3559 3.7144 3.7156 3.7339 3.7416 3.7426 3.7490 4.5331 4.5519 4.5772 4.5893 4.6006 4.6116 4.7260 4.7456 4.7620 4.7905 4.8224 4.8433 4.8581 4.8810 5.0076 5.0490 5.4765 5.5094 5.6145 5.7307 5.7345 5.7587 5.7998 5.8660 5.9021 5.9117 6.1020 6.1231 6.1657 6.1890 6.2124 6.2314 6.2505 6.2643 6.2982 6.3281 6.3657 6.3760 6.4577 6.4699 6.4816 6.5092 6.5196 6.5230 6.7449 6.7740 6.9112 6.9424 6.9818 6.9946 7.0790 7.0926 7.9446 7.9502 8.1186 8.1303 8.1650 8.1726 8.7833 8.8030 8.8492 8.8845 8.9596 8.9895 10.5297 10.5394 11.4851 11.5349 11.5821 11.5964 11.6597 11.7039 12.3674 12.3914 12.4685 12.5004 12.5942 12.6118 k = 0.0556 0.0556-0.0000 ( 6513 PWs) bands (ev): -4.9396 -4.9395 -3.9834 -3.9831 -3.9426 -3.9421 -3.9065 -3.9062 -0.0927 -0.0856 0.0290 0.0317 0.1299 0.1369 0.3664 0.3693 3.7108 3.7123 3.7240 3.7295 3.7322 3.7374 4.5433 4.5596 4.5767 4.5872 4.5933 4.5999 4.7588 4.7721 4.7938 4.8110 4.8439 4.8614 4.8823 4.9032 5.0030 5.0375 5.4835 5.5176 5.6083 5.7109 5.7285 5.7415 5.8077 5.8597 5.8976 5.9055 6.0915 6.1087 6.1660 6.1856 6.2140 6.2307 6.2438 6.2601 6.2895 6.3125 6.3422 6.3479 6.4605 6.4663 6.4776 6.4974 6.5105 6.5128 6.7608 6.7870 6.9204 6.9441 6.9768 6.9881 7.0505 7.0623 7.9432 7.9476 8.1209 8.1313 8.1557 8.1612 8.7794 8.7989 8.8373 8.8713 8.9182 8.9522 10.5215 10.5288 11.5026 11.5436 11.5780 11.5879 11.6518 11.6925 12.4353 12.4492 12.5194 12.5463 12.6143 12.6276 k = 0.0417 0.0417-0.0000 ( 6505 PWs) bands (ev): -4.9454 -4.9454 -3.9722 -3.9719 -3.9419 -3.9415 -3.9144 -3.9141 -0.0638 -0.0566 0.0279 0.0296 0.1047 0.1116 0.3779 0.3801 3.7075 3.7093 3.7159 3.7196 3.7242 3.7282 4.5516 4.5658 4.5748 4.5851 4.5871 4.5905 4.7848 4.7972 4.8143 4.8228 4.8578 4.8840 4.9141 4.9317 4.9985 5.0256 5.4837 5.5185 5.6079 5.6844 5.7071 5.7228 5.8295 5.8645 5.8954 5.9008 6.0843 6.0976 6.1659 6.1805 6.2163 6.2292 6.2391 6.2568 6.2821 6.2986 6.3179 6.3215 6.4629 6.4648 6.4754 6.4875 6.5051 6.5065 6.7766 6.7980 6.9312 6.9483 6.9742 6.9832 7.0256 7.0357 7.9395 7.9430 8.1247 8.1331 8.1473 8.1512 8.7796 8.7979 8.8277 8.8623 8.8825 8.9211 10.5153 10.5205 11.5174 11.5477 11.5707 11.5797 11.6483 11.6823 12.4832 12.4907 12.5689 12.5914 12.6314 12.6410 k = 0.0278 0.0278-0.0000 ( 6513 PWs) bands (ev): -4.9497 -4.9496 -3.9614 -3.9611 -3.9414 -3.9412 -3.9228 -3.9225 -0.0350 -0.0275 0.0271 0.0278 0.0784 0.0852 0.3864 0.3878 3.7051 3.7067 3.7100 3.7121 3.7186 3.7216 4.5582 4.5696 4.5731 4.5820 4.5830 4.5841 4.8045 4.8151 4.8264 4.8290 4.8708 4.9026 4.9458 4.9591 4.9953 5.0144 5.4803 5.5084 5.6179 5.6646 5.6838 5.7000 5.8539 5.8744 5.8933 5.8978 6.0800 6.0894 6.1648 6.1739 6.2189 6.2278 6.2363 6.2521 6.2773 6.2873 6.2957 6.3024 6.4643 6.4655 6.4732 6.4796 6.5023 6.5027 6.7905 6.8056 6.9429 6.9552 6.9734 6.9790 7.0045 7.0128 7.9354 7.9379 8.1289 8.1346 8.1408 8.1432 8.7842 8.7996 8.8200 8.8523 8.8579 8.8961 10.5112 10.5145 11.5303 11.5493 11.5628 11.5712 11.6488 11.6731 12.5125 12.5171 12.6128 12.6290 12.6448 12.6514 k = 0.0139 0.0139-0.0000 ( 6505 PWs) bands (ev): -4.9522 -4.9522 -3.9510 -3.9508 -3.9411 -3.9410 -3.9317 -3.9314 -0.0065 0.0014 0.0261 0.0271 0.0517 0.0579 0.3917 0.3924 3.7039 3.7048 3.7062 3.7071 3.7157 3.7174 4.5630 4.5685 4.5755 4.5789 4.5801 4.5810 4.8193 4.8245 4.8299 4.8321 4.8867 4.9086 4.9721 4.9792 4.9942 5.0035 5.4783 5.4937 5.6349 5.6545 5.6654 5.6769 5.8746 5.8832 5.8910 5.8949 6.0785 6.0834 6.1635 6.1676 6.2230 6.2285 6.2337 6.2426 6.2761 6.2802 6.2842 6.2886 6.4661 6.4672 6.4711 6.4735 6.5009 6.5010 6.8011 6.8089 6.9549 6.9651 6.9745 6.9746 6.9878 6.9938 7.9326 7.9339 8.1326 8.1352 8.1367 8.1378 8.7937 8.8033 8.8137 8.8276 8.8585 8.8773 10.5090 10.5107 11.5418 11.5502 11.5564 11.5621 11.6524 11.6650 12.5286 12.5311 12.6441 12.6523 12.6543 12.6575 k = 0.0000 0.0000 0.0000 ( 6451 PWs) bands (ev): -4.9530 -4.9530 -3.9412 -3.9412 -3.9409 -3.9409 -3.9409 -3.9409 0.0192 0.0192 0.0299 0.0299 0.0299 0.0299 0.3937 0.3937 3.7046 3.7046 3.7046 3.7046 3.7155 3.7155 4.5662 4.5662 4.5784 4.5784 4.5784 4.5784 4.8289 4.8289 4.8289 4.8289 4.9014 4.9014 4.9906 4.9906 4.9906 4.9906 5.4824 5.4824 5.6551 5.6551 5.6551 5.6551 5.8883 5.8883 5.8883 5.8883 6.0798 6.0798 6.1639 6.1639 6.2310 6.2310 6.2310 6.2310 6.2798 6.2798 6.2799 6.2799 6.4691 6.4691 6.4692 6.4692 6.5006 6.5006 6.8075 6.8075 6.9666 6.9666 6.9781 6.9781 6.9781 6.9781 7.9320 7.9320 8.1352 8.1352 8.1352 8.1352 8.8082 8.8082 8.8082 8.8082 8.8649 8.8649 10.5089 10.5089 11.5523 11.5523 11.5523 11.5523 11.6580 11.6580 12.5346 12.5346 12.6583 12.6583 12.6583 12.6583 k = 0.0000 0.0000 0.0000 ( 6451 PWs) bands (ev): -4.9530 -4.9530 -3.9412 -3.9412 -3.9409 -3.9409 -3.9409 -3.9409 0.0192 0.0192 0.0299 0.0299 0.0299 0.0299 0.3937 0.3937 3.7046 3.7046 3.7046 3.7046 3.7155 3.7155 4.5662 4.5662 4.5784 4.5784 4.5784 4.5784 4.8289 4.8289 4.8289 4.8289 4.9014 4.9014 4.9906 4.9906 4.9906 4.9906 5.4824 5.4824 5.6551 5.6551 5.6551 5.6551 5.8883 5.8883 5.8883 5.8883 6.0798 6.0798 6.1639 6.1639 6.2310 6.2310 6.2310 6.2310 6.2798 6.2798 6.2799 6.2799 6.4691 6.4691 6.4692 6.4692 6.5006 6.5006 6.8075 6.8075 6.9666 6.9666 6.9781 6.9781 6.9781 6.9781 7.9320 7.9320 8.1352 8.1352 8.1352 8.1352 8.8082 8.8082 8.8082 8.8082 8.8649 8.8649 10.5089 10.5089 11.5523 11.5523 11.5523 11.5523 11.6580 11.6580 12.5346 12.5346 12.6583 12.6583 12.6583 12.6583 k = 0.0114 0.0114 0.0114 ( 6496 PWs) bands (ev): -4.9522 -4.9522 -3.9510 -3.9507 -3.9412 -3.9412 -3.9316 -3.9314 -0.0066 0.0013 0.0261 0.0271 0.0518 0.0579 0.3917 0.3924 3.7039 3.7050 3.7065 3.7068 3.7158 3.7174 4.5629 4.5686 4.5753 4.5795 4.5799 4.5809 4.8197 4.8242 4.8291 4.8328 4.8873 4.9079 4.9747 4.9765 4.9938 5.0040 5.4781 5.4940 5.6340 5.6602 5.6607 5.6768 5.8770 5.8814 5.8893 5.8958 6.0786 6.0835 6.1634 6.1677 6.2229 6.2308 6.2311 6.2430 6.2763 6.2799 6.2845 6.2883 6.4664 6.4668 6.4715 6.4733 6.5010 6.5010 6.8011 6.8089 6.9550 6.9661 6.9730 6.9743 6.9883 6.9940 7.9326 7.9339 8.1330 8.1355 8.1363 8.1374 8.7936 8.8040 8.8129 8.8280 8.8585 8.8774 10.5090 10.5107 11.5416 11.5509 11.5557 11.5623 11.6524 11.6650 12.5286 12.5312 12.6455 12.6520 12.6545 12.6560 k = 0.0227 0.0227 0.0227 ( 6511 PWs) bands (ev): -4.9496 -4.9496 -3.9612 -3.9609 -3.9417 -3.9417 -3.9226 -3.9224 -0.0351 -0.0276 0.0271 0.0278 0.0786 0.0852 0.3864 0.3878 3.7050 3.7074 3.7106 3.7110 3.7188 3.7214 4.5577 4.5708 4.5715 4.5829 4.5831 4.5840 4.8051 4.8176 4.8197 4.8320 4.8762 4.8968 4.9441 4.9643 4.9924 5.0139 5.4797 5.5115 5.6160 5.6740 5.6771 5.6966 5.8645 5.8693 5.8866 5.8991 6.0803 6.0893 6.1644 6.1749 6.2203 6.2299 6.2321 6.2525 6.2818 6.2852 6.2943 6.3020 6.4645 6.4650 6.4741 6.4792 6.5024 6.5025 6.7906 6.8054 6.9438 6.9584 6.9692 6.9770 7.0057 7.0140 7.9357 7.9382 8.1310 8.1372 8.1389 8.1399 8.7842 8.8008 8.8183 8.8532 8.8578 8.8962 10.5112 10.5146 11.5299 11.5504 11.5613 11.5718 11.6489 11.6732 12.5132 12.5180 12.6173 12.6347 12.6376 12.6457 k = 0.0341 0.0341 0.0341 ( 6517 PWs) bands (ev): -4.9454 -4.9454 -3.9716 -3.9714 -3.9427 -3.9426 -3.9140 -3.9138 -0.0641 -0.0568 0.0277 0.0297 0.1050 0.1117 0.3778 0.3800 3.7078 3.7114 3.7157 3.7177 3.7250 3.7275 4.5504 4.5668 4.5721 4.5844 4.5886 4.5919 4.7857 4.7991 4.8096 4.8273 4.8666 4.8714 4.9038 4.9549 4.9907 5.0177 5.4855 5.5303 5.6031 5.6912 5.7026 5.7113 5.8540 5.8541 5.8834 5.8992 6.0856 6.0973 6.1642 6.1837 6.2219 6.2280 6.2341 6.2557 6.2960 6.2965 6.3090 6.3217 6.4623 6.4650 6.4768 6.4873 6.5053 6.5055 6.7769 6.7974 6.9334 6.9550 6.9664 6.9777 7.0275 7.0380 7.9409 7.9444 8.1290 8.1398 8.1424 8.1424 8.7799 8.7994 8.8251 8.8621 8.8841 8.9213 10.5153 10.5207 11.5170 11.5486 11.5684 11.5808 11.6483 11.6824 12.4883 12.4946 12.5756 12.6008 12.6158 12.6279 k = 0.0455 0.0455 0.0455 ( 6511 PWs) bands (ev): -4.9395 -4.9395 -3.9823 -3.9821 -3.9439 -3.9438 -3.9060 -3.9058 -0.0931 -0.0860 0.0288 0.0318 0.1303 0.1371 0.3662 0.3691 3.7123 3.7167 3.7221 3.7258 3.7344 3.7363 4.5410 4.5612 4.5716 4.5854 4.5964 4.6025 4.7627 4.7727 4.7972 4.8199 4.8279 4.8474 4.8802 4.9480 4.9860 5.0140 5.4956 5.5461 5.5962 5.7077 5.7184 5.7293 5.8389 5.8498 5.8830 5.8981 6.0954 6.1081 6.1618 6.1931 6.2252 6.2253 6.2369 6.2574 6.3120 6.3138 6.3275 6.3461 6.4596 6.4669 6.4797 6.4981 6.5104 6.5107 6.7615 6.7857 6.9244 6.9561 6.9650 6.9778 7.0532 7.0658 7.9475 7.9519 8.1269 8.1425 8.1451 8.1460 8.7809 8.8007 8.8338 8.8707 8.9209 8.9524 10.5216 10.5290 11.5024 11.5434 11.5756 11.5896 11.6510 11.6926 12.4539 12.4606 12.5225 12.5553 12.5877 12.6036 k = 0.0568 0.0568 0.0568 ( 6514 PWs) bands (ev): -4.9319 -4.9319 -3.9931 -3.9929 -3.9455 -3.9454 -3.8985 -3.8983 -0.1221 -0.1151 0.0301 0.0342 0.1545 0.1612 0.3518 0.3555 3.7184 3.7233 3.7294 3.7341 3.7467 3.7481 4.5295 4.5542 4.5694 4.5857 4.6046 4.6146 4.7378 4.7451 4.7636 4.7993 4.8055 4.8109 4.8806 4.9423 4.9759 5.0031 5.5104 5.5566 5.5948 5.7176 5.7185 5.7467 5.8289 5.8528 5.8866 5.8983 6.1100 6.1223 6.1581 6.2032 6.2224 6.2284 6.2405 6.2604 6.3311 6.3312 6.3473 6.3714 6.4562 6.4713 6.4833 6.5121 6.5174 6.5201 6.7462 6.7717 6.9172 6.9617 6.9652 6.9778 7.0824 7.0968 7.9549 7.9600 8.1246 8.1445 8.1479 8.1491 8.7871 8.8052 8.8450 8.8833 8.9637 8.9898 10.5299 10.5398 11.4857 11.5334 11.5813 11.5981 11.6556 11.7034 12.4102 12.4161 12.4599 12.5008 12.5550 12.5741 k = 0.0682 0.0682 0.0682 ( 6505 PWs) bands (ev): -4.9227 -4.9227 -4.0041 -4.0038 -3.9475 -3.9473 -3.8917 -3.8915 -0.1509 -0.1441 0.0314 0.0365 0.1771 0.1838 0.3349 0.3393 3.7259 3.7311 3.7374 3.7425 3.7612 3.7626 4.5158 4.5455 4.5655 4.5853 4.6084 4.6238 4.7130 4.7193 4.7199 4.7542 4.7969 4.8010 4.8826 4.9361 4.9602 4.9867 5.5295 5.5616 5.5969 5.7126 5.7204 5.7464 5.8276 5.8608 5.8930 5.9021 6.1273 6.1372 6.1573 6.2123 6.2252 6.2306 6.2460 6.2650 6.3476 6.3513 6.3656 6.3943 6.4518 6.4793 6.4886 6.5265 6.5297 6.5350 6.7329 6.7570 6.9123 6.9671 6.9722 6.9784 7.1145 7.1305 7.9622 7.9679 8.1221 8.1453 8.1508 8.1510 8.7986 8.8134 8.8588 8.8995 9.0129 9.0337 10.5406 10.5531 11.4664 11.5182 11.5839 11.6063 11.6594 11.7136 12.3580 12.3618 12.3895 12.4398 12.5204 12.5413 k = 0.0795 0.0795 0.0795 ( 6508 PWs) bands (ev): -4.9119 -4.9119 -4.0151 -4.0148 -3.9497 -3.9494 -3.8855 -3.8853 -0.1794 -0.1728 0.0324 0.0387 0.1980 0.2048 0.3159 0.3211 3.7347 3.7402 3.7459 3.7506 3.7775 3.7791 4.4996 4.5348 4.5591 4.5835 4.5981 4.6142 4.6901 4.6941 4.7013 4.7228 4.7911 4.7914 4.8843 4.9274 4.9406 4.9683 5.5512 5.5620 5.5993 5.7080 5.7122 5.7311 5.8306 5.8717 5.9002 5.9104 6.1411 6.1418 6.1688 6.2120 6.2322 6.2481 6.2551 6.2706 6.3620 6.3711 6.3803 6.4125 6.4465 6.4920 6.4968 6.5377 6.5505 6.5560 6.7236 6.7430 6.9098 6.9713 6.9801 6.9874 7.1487 7.1660 7.9684 7.9745 8.1192 8.1447 8.1515 8.1538 8.8154 8.8258 8.8754 8.9192 9.0686 9.0841 10.5534 10.5689 11.4439 11.4978 11.5818 11.6142 11.6586 11.7214 12.2980 12.2988 12.3129 12.3744 12.4876 12.5082 k = 0.0909 0.0909 0.0909 ( 6499 PWs) bands (ev): -4.8995 -4.8994 -4.0260 -4.0257 -3.9522 -3.9519 -3.8800 -3.8798 -0.2075 -0.2011 0.0327 0.0403 0.2168 0.2240 0.2955 0.3013 3.7442 3.7502 3.7546 3.7583 3.7947 3.7968 4.4811 4.5214 4.5454 4.5737 4.5763 4.5797 4.6711 4.6826 4.7002 4.7193 4.7817 4.7880 4.8853 4.9139 4.9190 4.9520 5.5592 5.5728 5.5999 5.6936 5.7062 5.7077 5.8335 5.8854 5.9077 5.9223 6.1406 6.1479 6.1838 6.2100 6.2335 6.2692 6.2768 6.2839 6.3740 6.3890 6.3912 6.4257 6.4407 6.5096 6.5096 6.5509 6.5737 6.5830 6.7191 6.7314 6.9098 6.9783 6.9834 7.0073 7.1840 7.2023 7.9724 7.9789 8.1159 8.1428 8.1508 8.1570 8.8378 8.8427 8.8948 8.9420 9.1309 9.1412 10.5683 10.5872 11.4176 11.4721 11.5737 11.6215 11.6498 11.7249 12.2287 12.2314 12.2315 12.3067 12.4603 12.4779 k = 0.1023 0.1023 0.1023 ( 6493 PWs) bands (ev): -4.8855 -4.8855 -4.0369 -4.0366 -3.9549 -3.9546 -3.8752 -3.8751 -0.2351 -0.2289 0.0319 0.0407 0.2325 0.2410 0.2752 0.2806 3.7538 3.7610 3.7638 3.7654 3.8121 3.8146 4.4600 4.5051 4.5128 4.5307 4.5571 4.5726 4.6578 4.6648 4.7177 4.7339 4.7734 4.7874 4.8856 4.8957 4.8973 4.9398 5.5540 5.5882 5.5983 5.6656 5.6822 5.7076 5.8371 5.9029 5.9163 5.9361 6.1396 6.1494 6.1942 6.2084 6.2350 6.2832 6.2868 6.3245 6.3838 6.3989 6.4040 6.4351 6.4353 6.5271 6.5309 6.5672 6.5984 6.6149 6.7201 6.7236 6.9123 6.9888 6.9890 7.0314 7.2195 7.2383 7.9730 7.9797 8.1124 8.1404 8.1496 8.1605 8.8646 8.8656 8.9166 8.9675 9.1998 9.2052 10.5851 10.6078 11.3866 11.4407 11.5578 11.6280 11.6307 11.7228 12.1464 12.1533 12.1603 12.2384 12.4412 12.4535 k = 0.1136 0.1136 0.1136 ( 6505 PWs) bands (ev): -4.8701 -4.8700 -4.0477 -4.0474 -3.9579 -3.9576 -3.8712 -3.8710 -0.2620 -0.2561 0.0291 0.0392 0.2388 0.2559 0.2597 0.2620 3.7623 3.7715 3.7722 3.7738 3.8283 3.8315 4.4364 4.4720 4.4856 4.4873 4.5468 4.5620 4.6511 4.6519 4.7359 4.7547 4.7668 4.7915 4.8763 4.8774 4.8856 4.9299 5.5454 5.5838 5.5956 5.6320 5.6671 5.7106 5.8444 5.9242 5.9266 5.9507 6.1398 6.1482 6.2003 6.2073 6.2370 6.2894 6.3039 6.3626 6.3920 6.4042 6.4153 6.4309 6.4429 6.5459 6.5545 6.5884 6.6237 6.6507 6.7210 6.7259 6.9177 6.9979 7.0030 7.0587 7.2540 7.2728 7.9691 7.9760 8.1086 8.1384 8.1489 8.1642 8.8916 8.8990 8.9405 8.9951 9.2752 9.2758 10.6034 10.6302 11.3503 11.4032 11.5326 11.6009 11.6331 11.7145 12.0591 12.0754 12.0868 12.1713 12.4303 12.4358 k = 0.1250 0.1250 0.1250 ( 6502 PWs) bands (ev): -4.8532 -4.8531 -4.0582 -4.0580 -3.9611 -3.9607 -3.8679 -3.8678 -0.2883 -0.2826 0.0236 0.0350 0.2251 0.2397 0.2673 0.2683 3.7691 3.7763 3.7836 3.7850 3.8421 3.8460 4.4111 4.4338 4.4495 4.4631 4.5369 4.5490 4.6442 4.6501 4.7492 4.7622 4.7771 4.8021 4.8588 4.8613 4.8858 4.9210 5.5280 5.5521 5.5935 5.6018 5.6700 5.7143 5.8573 5.9385 5.9477 5.9662 6.1409 6.1462 6.2040 6.2068 6.2396 6.2953 6.3180 6.3918 6.3992 6.4075 6.4235 6.4312 6.4497 6.5612 6.5794 6.6144 6.6497 6.6883 6.7254 6.7360 6.9272 7.0114 7.0210 7.0882 7.2866 7.3049 7.9599 7.9669 8.1049 8.1376 8.1496 8.1684 8.9241 8.9379 8.9662 9.0246 9.3528 9.3568 10.6223 10.6538 11.3081 11.3591 11.4979 11.5615 11.6356 11.6997 11.9715 11.9986 12.0136 12.1069 12.4240 12.4258 k = 0.1364 0.1364 0.1364 ( 6496 PWs) bands (ev): -4.8348 -4.8347 -4.0686 -4.0683 -3.9644 -3.9641 -3.8654 -3.8653 -0.3138 -0.3083 0.0145 0.0268 0.2075 0.2215 0.2760 0.2782 3.7740 3.7798 3.7948 3.7968 3.8518 3.8564 4.3853 4.4021 4.4189 4.4381 4.5266 4.5349 4.6414 4.6533 4.7563 4.7593 4.7981 4.8151 4.8452 4.8537 4.8878 4.9128 5.4947 5.5068 5.5861 5.5931 5.6793 5.7184 5.8761 5.9516 5.9683 5.9857 6.1428 6.1440 6.2069 6.2070 6.2431 6.3008 6.3285 6.4013 6.4060 6.4145 6.4295 6.4405 6.4562 6.5722 6.6054 6.6407 6.6766 6.7226 6.7374 6.7509 6.9430 7.0309 7.0423 7.1185 7.3164 7.3336 7.9455 7.9526 8.1015 8.1384 8.1522 8.1730 8.9619 8.9823 8.9929 9.0555 9.4358 9.4440 10.6409 10.6777 11.2595 11.3086 11.4547 11.5153 11.6331 11.6763 11.8864 11.9280 11.9428 12.0464 12.4153 12.4243 k = 0.1477 0.1477 0.1477 ( 6499 PWs) bands (ev): -4.8151 -4.8150 -4.0786 -4.0783 -3.9679 -3.9676 -3.8637 -3.8636 -0.3385 -0.3333 0.0010 0.0136 0.1923 0.2061 0.2830 0.2854 3.7774 3.7817 3.8053 3.8087 3.8558 3.8608 4.3609 4.3796 4.3962 4.4114 4.5156 4.5207 4.6432 4.6595 4.7568 4.7589 4.8142 4.8193 4.8374 4.8625 4.8930 4.9059 5.4513 5.4581 5.5829 5.5949 5.6888 5.7228 5.8997 5.9654 5.9830 6.0104 6.1422 6.1451 6.2080 6.2097 6.2475 6.3059 6.3361 6.3984 6.4130 6.4224 6.4342 6.4555 6.4626 6.5796 6.6321 6.6640 6.7049 6.7467 6.7548 6.7711 6.9679 7.0573 7.0658 7.1483 7.3426 7.3583 7.9264 7.9336 8.0986 8.1407 8.1565 8.1780 9.0044 9.0203 9.0319 9.0879 9.5240 9.5364 10.6577 10.7002 11.2044 11.2520 11.4061 11.4657 11.6199 11.6402 11.8097 11.8701 11.8762 11.9909 12.4064 12.4221 k = 0.1591 0.1591 0.1591 ( 6490 PWs) bands (ev): -4.7941 -4.7940 -4.0883 -4.0880 -3.9715 -3.9712 -3.8628 -3.8627 -0.3623 -0.3573 -0.0171 -0.0049 0.1806 0.1937 0.2874 0.2897 3.7793 3.7822 3.8148 3.8202 3.8533 3.8582 4.3374 4.3675 4.3834 4.3839 4.5041 4.5070 4.6486 4.6673 4.7534 4.7578 4.8192 4.8234 4.8370 4.8802 4.9014 4.9019 5.4079 5.4121 5.5865 5.5994 5.6978 5.7280 5.9263 5.9794 5.9947 6.0360 6.1407 6.1476 6.2100 6.2130 6.2529 6.3105 6.3415 6.3938 6.4207 6.4287 6.4379 6.4691 6.4699 6.5844 6.6595 6.6852 6.7353 6.7633 6.7728 6.7899 7.0023 7.0905 7.0906 7.1763 7.3649 7.3784 7.9041 7.9114 8.0966 8.1443 8.1623 8.1836 9.0477 9.0501 9.0866 9.1224 9.6166 9.6329 10.6705 10.7192 11.1431 11.1899 11.3563 11.4168 11.5852 11.5890 11.7525 11.8146 11.8290 11.9412 12.3938 12.4156 k = 0.1705 0.1705 0.1705 ( 6490 PWs) bands (ev): -4.7719 -4.7718 -4.0976 -4.0973 -3.9752 -3.9748 -3.8627 -3.8626 -0.3851 -0.3804 -0.0397 -0.0284 0.1722 0.1842 0.2891 0.2912 3.7799 3.7813 3.8217 3.8310 3.8453 3.8483 4.3145 4.3565 4.3660 4.3816 4.4922 4.4937 4.6563 4.6752 4.7480 4.7531 4.8212 4.8263 4.8449 4.8967 4.9006 4.9115 5.3718 5.3741 5.5944 5.6064 5.7068 5.7342 5.9538 5.9934 6.0049 6.0598 6.1397 6.1498 6.2136 6.2173 6.2591 6.3147 6.3453 6.3887 6.4296 6.4347 6.4409 6.4756 6.4828 6.5876 6.6876 6.7060 6.7680 6.7770 6.7881 6.8028 7.0424 7.1165 7.1283 7.2013 7.3829 7.3936 7.8799 7.8873 8.0958 8.1488 8.1690 8.1894 9.0744 9.0954 9.1460 9.1617 9.7124 9.7325 10.6771 10.7320 11.0762 11.1231 11.3092 11.3736 11.5235 11.5267 11.7198 11.7582 11.8028 11.8980 12.3751 12.4023 k = 0.1818 0.1818 0.1818 ( 6487 PWs) bands (ev): -4.7486 -4.7485 -4.1065 -4.1062 -3.9790 -3.9786 -3.8634 -3.8633 -0.4069 -0.4025 -0.0660 -0.0558 0.1663 0.1770 0.2878 0.2896 3.7793 3.7795 3.8190 3.8320 3.8398 3.8410 4.2926 4.3301 4.3736 4.3893 4.4802 4.4809 4.6647 4.6817 4.7409 4.7458 4.8233 4.8242 4.8605 4.9053 4.9096 4.9190 5.3484 5.3494 5.6059 5.6159 5.7165 5.7416 5.9809 6.0070 6.0141 6.0806 6.1390 6.1519 6.2189 6.2226 6.2660 6.3185 6.3483 6.3835 6.4401 6.4402 6.4433 6.4825 6.4949 6.5897 6.7167 6.7271 6.7869 6.8003 6.8033 6.8133 7.0815 7.1442 7.1673 7.2228 7.3967 7.4040 7.8558 7.8629 8.0963 8.1539 8.1761 8.1955 9.0998 9.1347 9.2098 9.2102 9.8100 9.8338 10.6752 10.7357 11.0047 11.0520 11.2674 11.3408 11.4461 11.4624 11.7002 11.7064 11.7859 11.8619 12.3487 12.3805 k = 0.1932 0.1932 0.1932 ( 6487 PWs) bands (ev): -4.7242 -4.7240 -4.1149 -4.1146 -3.9827 -3.9824 -3.8649 -3.8648 -0.4276 -0.4235 -0.0950 -0.0861 0.1618 0.1713 0.2836 0.2851 3.7761 3.7782 3.8016 3.8113 3.8429 3.8499 4.2724 4.3054 4.3875 4.4036 4.4681 4.4686 4.6719 4.6855 4.7327 4.7373 4.8164 4.8191 4.8826 4.9167 4.9222 4.9251 5.3410 5.3411 5.6204 5.6277 5.7274 5.7504 6.0062 6.0202 6.0224 6.0981 6.1389 6.1535 6.2264 6.2288 6.2730 6.3221 6.3508 6.3784 6.4452 6.4452 6.4522 6.4897 6.5070 6.5912 6.7468 6.7473 6.7906 6.8113 6.8261 6.8408 7.1135 7.1745 7.2037 7.2405 7.4065 7.4095 7.8338 7.8403 8.0982 8.1593 8.1831 8.2016 9.1229 9.1655 9.2691 9.2773 9.9077 9.9351 10.6636 10.7283 10.9297 10.9773 11.2291 11.3221 11.3638 11.4068 11.6585 11.6822 11.7738 11.8336 12.3140 12.3496 k = 0.2045 0.2045 0.2045 ( 6493 PWs) bands (ev): -4.6988 -4.6986 -4.1228 -4.1225 -3.9865 -3.9862 -3.8672 -3.8671 -0.4472 -0.4433 -0.1259 -0.1181 0.1577 0.1661 0.2764 0.2776 3.7704 3.7764 3.7789 3.7896 3.8472 3.8576 4.2547 4.2831 4.4039 4.4209 4.4565 4.4567 4.6765 4.6860 4.7239 4.7283 4.8017 4.8046 4.9103 4.9348 4.9353 4.9400 5.3493 5.3495 5.6376 5.6418 5.7398 5.7606 6.0285 6.0302 6.0328 6.1124 6.1394 6.1551 6.2357 6.2362 6.2798 6.3255 6.3535 6.3734 6.4468 6.4494 6.4658 6.4974 6.5195 6.5925 6.7640 6.7778 6.7888 6.8246 6.8421 6.8803 7.1371 7.2047 7.2335 7.2544 7.4106 7.4126 7.8161 7.8213 8.1014 8.1649 8.1895 8.2074 9.1430 9.1888 9.3353 9.3476 10.0031 10.0340 10.6429 10.7098 10.8526 10.9000 11.1872 11.2824 11.3186 11.3719 11.6137 11.6612 11.7639 11.8129 12.2717 12.3103 k = 0.2159 0.2159 0.2159 ( 6487 PWs) bands (ev): -4.6725 -4.6723 -4.1301 -4.1299 -3.9903 -3.9899 -3.8703 -3.8701 -0.4656 -0.4620 -0.1580 -0.1512 0.1535 0.1609 0.2663 0.2672 3.7543 3.7549 3.7742 3.7762 3.8506 3.8640 4.2398 4.2635 4.4172 4.4361 4.4453 4.4465 4.6781 4.6835 4.7147 4.7194 4.7825 4.7834 4.9427 4.9520 4.9608 4.9648 5.3710 5.3710 5.6575 5.6578 5.7540 5.7725 6.0375 6.0447 6.0472 6.1238 6.1411 6.1568 6.2427 6.2482 6.2860 6.3288 6.3566 6.3686 6.4481 6.4528 6.4804 6.5062 6.5327 6.5936 6.7747 6.7838 6.8093 6.8437 6.8596 6.9213 7.1551 7.2296 7.2538 7.2655 7.4077 7.4155 7.8048 7.8078 8.1058 8.1705 8.1951 8.2127 9.1589 9.2056 9.4059 9.4197 10.0935 10.1275 10.6155 10.6829 10.7748 10.8215 11.1375 11.2057 11.3290 11.3634 11.5713 11.6361 11.7547 11.7983 12.2233 12.2641 k = 0.2273 0.2273 0.2273 ( 6499 PWs) bands (ev): -4.6454 -4.6452 -4.1369 -4.1366 -3.9940 -3.9937 -3.8741 -3.8739 -0.4827 -0.4794 -0.1907 -0.1848 0.1484 0.1550 0.2533 0.2540 3.7296 3.7312 3.7709 3.7720 3.8527 3.8689 4.2281 4.2473 4.4197 4.4344 4.4395 4.4430 4.6774 4.6788 4.7052 4.7109 4.7647 4.7655 4.9773 4.9791 4.9922 4.9956 5.4016 5.4023 5.6756 5.6797 5.7700 5.7859 6.0445 6.0557 6.0614 6.1331 6.1442 6.1591 6.2492 6.2623 6.2915 6.3319 6.3605 6.3640 6.4493 6.4554 6.4948 6.5167 6.5463 6.5945 6.7772 6.7800 6.8403 6.8682 6.8774 6.9631 7.1700 7.2454 7.2625 7.2750 7.4015 7.4156 7.8012 7.8015 8.1109 8.1758 8.1994 8.2172 9.1698 9.2157 9.4786 9.4921 10.1746 10.2114 10.5838 10.6509 10.6979 10.7439 11.0857 11.1376 11.3503 11.3756 11.5308 11.6077 11.7450 11.7875 12.1712 12.2133 k = 0.2386 0.2386 0.2386 ( 6487 PWs) bands (ev): -4.6176 -4.6175 -4.1430 -4.1427 -3.9977 -3.9973 -3.8786 -3.8784 -0.4986 -0.4955 -0.2233 -0.2182 0.1421 0.1480 0.2376 0.2380 3.7058 3.7070 3.7673 3.7698 3.8535 3.8722 4.2199 4.2347 4.4111 4.4244 4.4304 4.4352 4.6726 4.6764 4.6956 4.7030 4.7581 4.7583 5.0090 5.0186 5.0284 5.0310 5.4384 5.4400 5.6951 5.7042 5.7880 5.8010 6.0514 6.0656 6.0713 6.1406 6.1492 6.1623 6.2546 6.2776 6.2964 6.3350 6.3597 6.3651 6.4505 6.4571 6.5080 6.5299 6.5600 6.5951 6.7701 6.7826 6.8697 6.8946 6.8962 7.0048 7.1842 7.2505 7.2597 7.2848 7.3929 7.4133 7.8029 7.8058 8.1165 8.1807 8.2023 8.2207 9.1748 9.2189 9.5511 9.5625 10.2412 10.2799 10.5495 10.6170 10.6238 10.6700 11.0407 11.0832 11.3790 11.4004 11.4922 11.5772 11.7342 11.7783 12.1188 12.1608 k = 0.2500 0.2500 0.2500 ( 6493 PWs) bands (ev): -4.5893 -4.5892 -4.1485 -4.1482 -4.0013 -4.0009 -3.8838 -3.8837 -0.5131 -0.5103 -0.2556 -0.2511 0.1343 0.1395 0.2193 0.2195 3.6837 3.6842 3.7644 3.7677 3.8529 3.8738 4.2153 4.2263 4.3927 4.4107 4.4153 4.4161 4.6655 4.6746 4.6860 4.6947 4.7659 4.7686 5.0454 5.0603 5.0683 5.0695 5.4786 5.4817 5.7159 5.7305 5.8078 5.8176 6.0583 6.0742 6.0771 6.1468 6.1557 6.1669 6.2586 6.2933 6.3008 6.3381 6.3559 6.3702 6.4522 6.4581 6.5195 6.5456 6.5729 6.5952 6.7635 6.7848 6.8958 6.9102 6.9256 7.0453 7.1991 7.2459 7.2469 7.2972 7.3835 7.4092 7.8113 7.8173 8.1220 8.1849 8.2035 8.2229 9.1733 9.2148 9.6202 9.6279 10.2866 10.3265 10.5126 10.5549 10.5830 10.6036 11.0104 11.0487 11.4101 11.4318 11.4574 11.5457 11.7214 11.7693 12.0698 12.1099 k = 0.2614 0.2614 0.2614 ( 6490 PWs) bands (ev): -4.5606 -4.5604 -4.1533 -4.1531 -4.0048 -4.0045 -3.8897 -3.8896 -0.5262 -0.5237 -0.2871 -0.2832 0.1245 0.1292 0.1985 0.1985 3.6636 3.6638 3.7619 3.7659 3.8510 3.8735 4.2144 4.2221 4.3594 4.3731 4.4051 4.4075 4.6580 4.6706 4.6766 4.6860 4.7885 4.7941 5.0849 5.1035 5.1103 5.1109 5.5207 5.5255 5.7379 5.7587 5.8295 5.8356 6.0653 6.0800 6.0813 6.1520 6.1631 6.1730 6.2610 6.3050 6.3079 6.3411 6.3530 6.3750 6.4546 6.4583 6.5299 6.5626 6.5842 6.5948 6.7590 6.7881 6.9172 6.9237 6.9549 7.0829 7.2122 7.2264 7.2374 7.3143 7.3752 7.4044 7.8253 7.8339 8.1271 8.1882 8.2029 8.2239 9.1651 9.2036 9.6819 9.6838 10.3050 10.3458 10.4727 10.4944 10.5484 10.5492 11.0001 11.0388 11.4087 11.4592 11.4659 11.5137 11.7063 11.7593 12.0282 12.0641 k = 0.2727 0.2727 0.2727 ( 6478 PWs) bands (ev): -4.5316 -4.5314 -4.1574 -4.1572 -4.0082 -4.0079 -3.8962 -3.8961 -0.5379 -0.5356 -0.3175 -0.3141 0.1128 0.1170 0.1753 0.1755 3.6457 3.6466 3.7598 3.7643 3.8477 3.8714 4.2171 4.2224 4.3161 4.3280 4.3975 4.4011 4.6502 4.6647 4.6674 4.6772 4.8222 4.8296 5.1262 5.1474 5.1526 5.1554 5.5632 5.5703 5.7610 5.7883 5.8527 5.8550 6.0724 6.0809 6.0869 6.1566 6.1704 6.1805 6.2621 6.3090 6.3196 6.3443 6.3519 6.3785 6.4578 6.4580 6.5399 6.5798 6.5925 6.5936 6.7580 6.7937 6.9331 6.9350 6.9828 7.1156 7.2012 7.2036 7.2488 7.3368 7.3719 7.4004 7.8430 7.8535 8.1315 8.1904 8.2004 8.2234 9.1505 9.1859 9.7242 9.7305 10.2948 10.3361 10.4336 10.4486 10.5043 10.5143 11.0108 11.0528 11.3757 11.4818 11.4951 11.5002 11.6886 11.7476 11.9974 12.0264 k = 0.2841 0.2841 0.2841 ( 6475 PWs) bands (ev): -4.5023 -4.5021 -4.1608 -4.1606 -4.0115 -4.0112 -3.9034 -3.9032 -0.5481 -0.5460 -0.3466 -0.3436 0.0988 0.1027 0.1501 0.1505 3.6307 3.6324 3.7580 3.7629 3.8432 3.8674 4.2220 4.2272 4.2683 4.2806 4.3924 4.3963 4.6424 4.6577 4.6585 4.6686 4.8629 4.8714 5.1683 5.1913 5.1954 5.2007 5.6049 5.6149 5.7848 5.8190 5.8754 5.8772 6.0798 6.0805 6.0912 6.1608 6.1768 6.1882 6.2629 6.3131 6.3258 6.3476 6.3542 6.3801 6.4567 6.4623 6.5492 6.5920 6.5959 6.5960 6.7621 6.8018 6.9445 6.9449 7.0075 7.1404 7.1747 7.1819 7.2749 7.3593 7.3830 7.3989 7.8627 7.8746 8.1348 8.1915 8.1960 8.2214 9.1302 9.1625 9.7429 9.7587 10.2603 10.2977 10.4020 10.4282 10.4686 10.4754 11.0376 11.0840 11.3412 11.4506 11.5331 11.5341 11.6689 11.7337 11.9795 11.9996 k = 0.2955 0.2955 0.2955 ( 6475 PWs) bands (ev): -4.4731 -4.4729 -4.1634 -4.1633 -4.0147 -4.0145 -3.9111 -3.9109 -0.5567 -0.5549 -0.3740 -0.3714 0.0826 0.0861 0.1231 0.1236 3.6189 3.6212 3.7565 3.7616 3.8376 3.8618 4.2147 4.2189 4.2361 4.2480 4.3895 4.3935 4.6348 4.6500 4.6504 4.6602 4.9078 4.9170 5.2104 5.2348 5.2382 5.2460 5.6450 5.6585 5.8092 5.8505 5.8968 5.9026 6.0793 6.0873 6.0947 6.1646 6.1813 6.1941 6.2649 6.3172 6.3271 6.3511 6.3594 6.3796 6.4554 6.4672 6.5573 6.5900 6.5935 6.6101 6.7721 6.8119 6.9536 6.9540 7.0261 7.1518 7.1553 7.1596 7.3065 7.3774 7.4014 7.4153 7.8833 7.8959 8.1369 8.1897 8.1915 8.2180 9.1049 9.1345 9.7360 9.7609 10.2084 10.2384 10.3729 10.4295 10.4358 10.4487 11.0734 11.1234 11.3075 11.4207 11.5643 11.5738 11.6484 11.7174 11.9746 11.9849 k = 0.3068 0.3068 0.3068 ( 6481 PWs) bands (ev): -4.4439 -4.4437 -4.1654 -4.1652 -4.0179 -4.0176 -3.9193 -3.9191 -0.5638 -0.5621 -0.3995 -0.3972 0.0641 0.0674 0.0945 0.0952 3.6104 3.6132 3.7550 3.7604 3.8311 3.8549 4.1696 4.1720 4.2489 4.2547 4.3889 4.3928 4.6273 4.6419 4.6429 4.6521 4.9553 4.9649 5.2516 5.2772 5.2802 5.2906 5.6824 5.7004 5.8338 5.8821 5.9188 5.9283 6.0777 6.0951 6.0976 6.1681 6.1828 6.1953 6.2705 6.3215 6.3262 6.3548 6.3647 6.3776 6.4540 6.4721 6.5629 6.5846 6.5878 6.6213 6.7870 6.8224 6.9619 6.9637 7.0335 7.1408 7.1426 7.1610 7.3419 7.4020 7.4089 7.4569 7.9038 7.9169 8.1378 8.1817 8.1903 8.2133 9.0760 9.1032 9.7050 9.7363 10.1449 10.1676 10.3294 10.3743 10.4596 10.4660 11.1117 11.1631 11.2751 11.3933 11.5913 11.6146 11.6315 11.6982 11.9811 11.9820 k = 0.3182 0.3182 0.3182 ( 6484 PWs) bands (ev): -4.4150 -4.4148 -4.1666 -4.1664 -4.0209 -4.0207 -3.9280 -3.9278 -0.5692 -0.5678 -0.4229 -0.4210 0.0433 0.0463 0.0647 0.0655 3.6052 3.6084 3.7537 3.7591 3.8239 3.8469 4.1217 4.1245 4.2652 4.2707 4.3907 4.3943 4.6202 4.6342 4.6356 4.6443 5.0044 5.0141 5.2913 5.3180 5.3210 5.3340 5.7165 5.7397 5.8584 5.9132 5.9410 5.9535 6.0759 6.1004 6.1031 6.1715 6.1804 6.1902 6.2804 6.3256 6.3259 6.3587 6.3689 6.3751 6.4528 6.4765 6.5645 6.5697 6.5853 6.6292 6.8039 6.8297 6.9674 6.9780 7.0282 7.1379 7.1483 7.1617 7.3799 7.4219 7.4342 7.5024 7.9241 7.9372 8.1376 8.1722 8.1882 8.2074 9.0445 9.0698 9.6552 9.6898 10.0737 10.0902 10.2699 10.3087 10.4959 10.5120 11.1481 11.1966 11.2442 11.3701 11.5911 11.6427 11.6571 11.6762 11.9894 11.9960 k = 0.3295 0.3295 0.3295 ( 6455 PWs) bands (ev): -4.3865 -4.3863 -4.1670 -4.1669 -4.0238 -4.0236 -3.9371 -3.9369 -0.5730 -0.5717 -0.4441 -0.4424 0.0203 0.0232 0.0337 0.0347 3.6032 3.6068 3.7522 3.7577 3.8162 3.8381 4.0757 4.0783 4.2845 4.2903 4.3949 4.3981 4.6135 4.6269 4.6286 4.6368 5.0543 5.0640 5.3293 5.3567 5.3602 5.3758 5.7463 5.7755 5.8827 5.9432 5.9631 5.9775 6.0740 6.1032 6.1112 6.1741 6.1749 6.1799 6.2937 6.3263 6.3302 6.3627 6.3726 6.3731 6.4511 6.4804 6.5504 6.5605 6.5817 6.6338 6.8164 6.8292 6.9729 6.9987 7.0202 7.1505 7.1623 7.1714 7.4193 7.4400 7.4713 7.5497 7.9438 7.9567 8.1365 8.1616 8.1856 8.2008 9.0114 9.0353 9.5923 9.6279 9.9975 10.0088 10.1983 10.2328 10.5464 10.5673 11.1797 11.2150 11.2183 11.3545 11.5697 11.6514 11.6773 11.7019 12.0043 12.0164 k = 0.3409 0.3409 0.3409 ( 6461 PWs) bands (ev): -4.3586 -4.3584 -4.1667 -4.1666 -4.0268 -4.0266 -3.9466 -3.9465 -0.5751 -0.5740 -0.4629 -0.4614 -0.0049 -0.0020 0.0019 0.0032 3.6042 3.6082 3.7506 3.7561 3.8081 3.8288 4.0321 4.0344 4.3062 4.3125 4.4016 4.4043 4.6071 4.6199 4.6219 4.6297 5.1046 5.1142 5.3651 5.3930 5.3974 5.4156 5.7711 5.8068 5.9062 5.9712 5.9844 5.9987 6.0723 6.1055 6.1193 6.1649 6.1668 6.1782 6.3080 6.3281 6.3341 6.3666 6.3728 6.3762 6.4476 6.4837 6.5289 6.5505 6.5758 6.6348 6.8156 6.8166 6.9878 7.0207 7.0265 7.1674 7.1801 7.2056 7.4592 7.4621 7.5108 7.5971 7.9629 7.9753 8.1348 8.1503 8.1826 8.1938 8.9777 9.0004 9.5208 9.5560 9.9177 9.9246 10.1166 10.1476 10.6036 10.6269 11.1877 11.2051 11.2242 11.3491 11.5439 11.6239 11.7180 11.7490 12.0238 12.0398 k = 0.3523 0.3523 0.3523 ( 6479 PWs) bands (ev): -4.3313 -4.3312 -4.1657 -4.1656 -4.0296 -4.0295 -3.9564 -3.9563 -0.5754 -0.5745 -0.4790 -0.4777 -0.0324 -0.0304 -0.0290 -0.0284 3.6082 3.6124 3.7488 3.7543 3.7999 3.8193 3.9911 3.9931 4.3297 4.3366 4.4106 4.4127 4.6012 4.6133 4.6155 4.6229 5.1549 5.1642 5.3986 5.4267 5.4325 5.4532 5.7899 5.8320 5.9286 5.9966 6.0046 6.0154 6.0718 6.1052 6.1272 6.1551 6.1555 6.1815 6.3213 6.3305 6.3368 6.3700 6.3750 6.3803 6.4397 6.4865 6.5097 6.5361 6.5667 6.6317 6.7921 6.7979 7.0185 7.0337 7.0610 7.1808 7.2232 7.2495 7.4869 7.4986 7.5509 7.6432 7.9816 7.9931 8.1330 8.1388 8.1800 8.1869 8.9440 8.9660 9.4437 9.4776 9.8351 9.8385 10.0266 10.0545 10.6627 10.6872 11.1625 11.2165 11.2238 11.3519 11.5157 11.5940 11.7621 11.7977 12.0453 12.0640 k = 0.3636 0.3636 0.3636 ( 6476 PWs) bands (ev): -4.3050 -4.3048 -4.1639 -4.1638 -4.0325 -4.0324 -3.9665 -3.9664 -0.5740 -0.5733 -0.4924 -0.4913 -0.0632 -0.0632 -0.0587 -0.0577 3.6147 3.6191 3.7469 3.7524 3.7917 3.8098 3.9530 3.9547 4.3546 4.3620 4.4219 4.4232 4.5957 4.6072 4.6096 4.6166 5.2049 5.2138 5.4297 5.4577 5.4654 5.4886 5.8018 5.8492 5.9494 6.0188 6.0232 6.0252 6.0744 6.0994 6.1351 6.1488 6.1500 6.1848 6.3322 6.3322 6.3370 6.3729 6.3805 6.3839 6.4256 6.4892 6.4974 6.5203 6.5537 6.6239 6.7591 6.7685 7.0588 7.0627 7.1010 7.2048 7.2762 7.3020 7.5130 7.5367 7.5904 7.6866 8.0000 8.0101 8.1279 8.1314 8.1783 8.1810 8.9110 8.9324 9.3632 9.3953 9.7505 9.7511 9.9300 9.9551 10.7207 10.7458 11.1395 11.2016 11.2359 11.3566 11.4855 11.5622 11.8081 11.8470 12.0666 12.0875 k = 0.3750 0.3750 0.3750 ( 6470 PWs) bands (ev): -4.2796 -4.2795 -4.1613 -4.1613 -4.0354 -4.0353 -3.9769 -3.9768 -0.5709 -0.5702 -0.5029 -0.5020 -0.0961 -0.0957 -0.0890 -0.0877 3.6236 3.6279 3.7447 3.7502 3.7836 3.8005 3.9179 3.9194 4.3803 4.3883 4.4351 4.4355 4.5907 4.6016 4.6041 4.6107 5.2543 5.2628 5.4584 5.4862 5.4961 5.5216 5.8063 5.8563 5.9682 6.0284 6.0371 6.0397 6.0805 6.0889 6.1428 6.1467 6.1524 6.1883 6.3313 6.3327 6.3399 6.3751 6.3810 6.3887 6.4136 6.4917 6.4926 6.5063 6.5371 6.6113 6.7215 6.7329 7.0943 7.1163 7.1455 7.2403 7.3366 7.3620 7.5392 7.5728 7.6282 7.7260 8.0182 8.0258 8.1185 8.1304 8.1773 8.1781 8.8791 8.9000 9.2807 9.3106 9.6627 9.6642 9.8283 9.8510 10.7757 10.8012 11.1191 11.1845 11.2419 11.3593 11.4537 11.5290 11.8543 11.8955 12.0859 12.1092 k = 0.3864 0.3864 0.3864 ( 6464 PWs) bands (ev): -4.2553 -4.2552 -4.1581 -4.1580 -4.0385 -4.0383 -3.9874 -3.9873 -0.5659 -0.5654 -0.5104 -0.5096 -0.1290 -0.1285 -0.1201 -0.1188 3.6343 3.6386 3.7425 3.7479 3.7758 3.7915 3.8859 3.8872 4.4063 4.4149 4.4494 4.4499 4.5863 4.5963 4.5991 4.6052 5.3030 5.3108 5.4851 5.5123 5.5245 5.5524 5.8031 5.8523 5.9846 6.0290 6.0501 6.0536 6.0794 6.0877 6.1492 6.1504 6.1586 6.1918 6.3221 6.3235 6.3449 6.3676 6.3769 6.3978 6.4152 6.4922 6.4934 6.4969 6.5184 6.5950 6.6822 6.6950 7.1388 7.1761 7.1944 7.2857 7.4020 7.4284 7.5645 7.6065 7.6638 7.7599 8.0363 8.0397 8.1118 8.1297 8.1773 8.1800 8.8487 8.8691 9.1973 9.2249 9.5738 9.5766 9.7230 9.7435 10.8265 10.8524 11.1014 11.1676 11.2424 11.3583 11.4206 11.4950 11.8991 11.9418 12.1019 12.1283 k = 0.3977 0.3977 0.3977 ( 6479 PWs) bands (ev): -4.2323 -4.2322 -4.1541 -4.1541 -4.0416 -4.0415 -3.9981 -3.9980 -0.5592 -0.5588 -0.5149 -0.5143 -0.1617 -0.1610 -0.1519 -0.1507 3.6464 3.6505 3.7401 3.7455 3.7684 3.7830 3.8568 3.8581 4.4319 4.4412 4.4643 4.4659 4.5822 4.5915 4.5945 4.6001 5.3505 5.3576 5.5097 5.5362 5.5508 5.5807 5.7931 5.8386 5.9981 6.0297 6.0534 6.0646 6.0780 6.0937 6.1546 6.1577 6.1658 6.1953 6.3055 6.3058 6.3472 6.3569 6.3777 6.4054 6.4232 6.4894 6.4929 6.4942 6.5050 6.5769 6.6434 6.6573 7.1910 7.2401 7.2474 7.3387 7.4698 7.4992 7.5884 7.6385 7.6965 7.7876 8.0505 8.0544 8.1097 8.1286 8.1825 8.1846 8.8201 8.8400 9.1141 9.1393 9.4847 9.4882 9.6153 9.6340 10.8725 10.8987 11.0866 11.1522 11.2384 11.3536 11.3866 11.4608 11.9414 11.9850 12.1135 12.1443 k = 0.4091 0.4091 0.4091 ( 6485 PWs) bands (ev): -4.2107 -4.2106 -4.1495 -4.1494 -4.0450 -4.0449 -4.0088 -4.0087 -0.5506 -0.5503 -0.5163 -0.5158 -0.1939 -0.1933 -0.1842 -0.1831 3.6595 3.6633 3.7378 3.7432 3.7615 3.7750 3.8310 3.8322 4.4565 4.4666 4.4799 4.4827 4.5788 4.5872 4.5905 4.5955 5.3965 5.4028 5.5327 5.5583 5.5750 5.6067 5.7778 5.8184 6.0084 6.0309 6.0491 6.0726 6.0834 6.0969 6.1614 6.1646 6.1726 6.1985 6.2832 6.2863 6.3463 6.3499 6.3762 6.4082 6.4329 6.4757 6.4933 6.4976 6.5046 6.5592 6.6073 6.6220 7.2494 7.3043 7.3064 7.3961 7.5356 7.5699 7.6139 7.6713 7.7264 7.8088 8.0571 8.0726 8.1136 8.1271 8.1918 8.1933 8.7938 8.8129 9.0326 9.0551 9.3957 9.3992 9.5065 9.5237 10.9134 10.9402 11.0750 11.1390 11.2308 11.3454 11.3522 11.4269 11.9801 12.0242 12.1204 12.1573 k = 0.4205 0.4205 0.4205 ( 6488 PWs) bands (ev): -4.1904 -4.1904 -4.1442 -4.1441 -4.0487 -4.0486 -4.0195 -4.0195 -0.5402 -0.5400 -0.5146 -0.5141 -0.2256 -0.2249 -0.2166 -0.2156 3.6728 3.6763 3.7356 3.7410 3.7551 3.7677 3.8082 3.8095 4.4797 4.4905 4.4956 4.4997 4.5758 4.5834 4.5870 4.5914 5.4404 5.4458 5.5545 5.5788 5.5971 5.6301 5.7592 5.7952 6.0154 6.0321 6.0443 6.0775 6.0882 6.0953 6.1683 6.1710 6.1780 6.2011 6.2636 6.2669 6.3410 6.3421 6.3710 6.4018 6.4426 6.4672 6.4966 6.5018 6.5074 6.5445 6.5761 6.5909 7.3123 7.3640 7.3731 7.4551 7.5910 7.6135 7.6660 7.7121 7.7537 7.8245 8.0607 8.0907 8.1223 8.1253 8.2013 8.2082 8.7701 8.7881 8.9542 8.9741 9.3074 9.3102 9.3979 9.4137 10.9496 10.9767 11.0668 11.1285 11.2202 11.3177 11.3342 11.3939 12.0143 12.0585 12.1235 12.1672 k = 0.4318 0.4318 0.4318 ( 6494 PWs) bands (ev): -4.1717 -4.1716 -4.1382 -4.1382 -4.0527 -4.0527 -4.0303 -4.0302 -0.5280 -0.5280 -0.5098 -0.5094 -0.2565 -0.2558 -0.2487 -0.2478 3.6860 3.6890 3.7337 3.7391 3.7493 3.7610 3.7885 3.7900 4.5007 4.5108 4.5124 4.5164 4.5735 4.5801 4.5839 4.5878 5.4814 5.4857 5.5755 5.5980 5.6171 5.6507 5.7394 5.7715 6.0191 6.0329 6.0405 6.0792 6.0880 6.0899 6.1746 6.1765 6.1819 6.2019 6.2503 6.2514 6.3310 6.3316 6.3612 6.3863 6.4516 6.4660 6.5015 6.5064 6.5108 6.5344 6.5523 6.5659 7.3778 7.4247 7.4383 7.5126 7.6275 7.6309 7.7426 7.7680 7.7792 7.8365 8.0639 8.1085 8.1237 8.1334 8.2120 8.2243 8.7497 8.7662 8.8815 8.8985 9.2203 9.2220 9.2906 9.3053 10.9812 11.0086 11.0622 11.1208 11.2075 11.2836 11.3209 11.3625 12.0436 12.0868 12.1248 12.1745 k = 0.4432 0.4432 0.4432 ( 6500 PWs) bands (ev): -4.1545 -4.1545 -4.1317 -4.1317 -4.0572 -4.0572 -4.0409 -4.0409 -0.5141 -0.5141 -0.5019 -0.5015 -0.2865 -0.2859 -0.2803 -0.2796 3.6983 3.7007 3.7321 3.7375 3.7443 3.7551 3.7720 3.7737 4.5191 4.5250 4.5318 4.5322 4.5719 4.5775 4.5814 4.5847 5.5181 5.5213 5.5964 5.6161 5.6350 5.6680 5.7204 5.7494 6.0204 6.0330 6.0377 6.0761 6.0777 6.0874 6.1795 6.1807 6.1841 6.1996 6.2432 6.2440 6.3176 6.3184 6.3473 6.3660 6.4591 6.4675 6.5070 6.5113 6.5144 6.5290 6.5372 6.5478 7.4436 7.4840 7.4998 7.5652 7.6420 7.6475 7.8043 7.8220 7.8357 7.8471 8.0685 8.1223 8.1254 8.1445 8.2215 8.2378 8.7335 8.7479 8.8182 8.8319 9.1353 9.1354 9.1861 9.1997 11.0090 11.0363 11.0613 11.1160 11.1934 11.2504 11.3062 11.3332 12.0673 12.1046 12.1303 12.1798 k = 0.4545 0.4545 0.4545 ( 6512 PWs) bands (ev): -4.1389 -4.1388 -4.1246 -4.1246 -4.0623 -4.0623 -4.0514 -4.0514 -0.4985 -0.4983 -0.4909 -0.4906 -0.3155 -0.3149 -0.3110 -0.3104 3.7091 3.7107 3.7310 3.7363 3.7400 3.7500 3.7586 3.7606 4.5342 4.5372 4.5464 4.5481 4.5711 4.5757 4.5794 4.5820 5.5486 5.5510 5.6177 5.6331 5.6511 5.6813 5.7041 5.7305 6.0203 6.0326 6.0358 6.0626 6.0730 6.0806 6.1825 6.1836 6.1848 6.1948 6.2424 6.2435 6.3035 6.3038 6.3311 6.3439 6.4644 6.4688 6.5125 6.5159 6.5178 6.5271 6.5298 6.5364 7.5070 7.5388 7.5551 7.6091 7.6498 7.6579 7.8304 7.8591 7.8994 7.9064 8.0759 8.1213 8.1407 8.1540 8.2266 8.2438 8.7230 8.7344 8.7692 8.7792 9.0516 9.0535 9.0861 9.0985 11.0334 11.0599 11.0644 11.1139 11.1782 11.2186 11.2910 11.3067 12.0852 12.1087 12.1445 12.1834 k = 0.4659 0.4659 0.4659 ( 6485 PWs) bands (ev): -4.1248 -4.1247 -4.1169 -4.1169 -4.0681 -4.0681 -4.0617 -4.0617 -0.4811 -0.4809 -0.4770 -0.4767 -0.3434 -0.3428 -0.3406 -0.3400 3.7174 3.7182 3.7309 3.7356 3.7372 3.7457 3.7485 3.7508 4.5454 4.5468 4.5585 4.5610 4.5716 4.5750 4.5779 4.5799 5.5715 5.5729 5.6393 5.6491 5.6654 5.6900 5.6922 5.7153 6.0206 6.0315 6.0348 6.0507 6.0655 6.0702 6.1835 6.1844 6.1852 6.1903 6.2465 6.2470 6.2902 6.2909 6.3145 6.3222 6.4678 6.4695 6.5175 6.5201 6.5211 6.5273 6.5274 6.5306 7.5646 7.5858 7.6016 7.6411 7.6552 7.6631 7.8582 7.8741 7.9709 7.9736 8.0877 8.1215 8.1530 8.1605 8.2234 8.2378 8.7199 8.7270 8.7402 8.7470 8.9722 8.9761 8.9929 9.0040 11.0552 11.0714 11.0796 11.1139 11.1624 11.1885 11.2764 11.2840 12.0974 12.1083 12.1595 12.1859 k = 0.4773 0.4773 0.4773 ( 6488 PWs) bands (ev): -4.1121 -4.1121 -4.1087 -4.1087 -4.0748 -4.0747 -4.0718 -4.0718 -0.4620 -0.4618 -0.4603 -0.4599 -0.3700 -0.3694 -0.3686 -0.3681 3.7218 3.7221 3.7326 3.7355 3.7363 3.7416 3.7421 3.7438 4.5524 4.5528 4.5678 4.5702 4.5733 4.5753 4.5770 4.5783 5.5860 5.5867 5.6593 5.6636 5.6771 5.6857 5.6936 5.7036 6.0228 6.0303 6.0343 6.0426 6.0559 6.0575 6.1829 6.1831 6.1858 6.1874 6.2533 6.2533 6.2797 6.2812 6.2987 6.3024 6.4694 6.4699 6.5218 6.5235 6.5239 6.5271 6.5278 6.5283 7.6121 7.6222 7.6363 7.6588 7.6598 7.6652 7.8853 7.8915 8.0311 8.0313 8.1056 8.1253 8.1604 8.1628 8.2093 8.2182 8.7270 8.7283 8.7349 8.7403 8.8994 8.9048 8.9094 8.9186 11.0749 11.0824 11.0954 11.1151 11.1463 11.1607 11.2637 11.2662 12.1042 12.1076 12.1714 12.1871 k = 0.4886 0.4886 0.4886 ( 6488 PWs) bands (ev): -4.1009 -4.1009 -4.1001 -4.1001 -4.0823 -4.0823 -4.0816 -4.0816 -0.4413 -0.4410 -0.4409 -0.4405 -0.3952 -0.3948 -0.3947 -0.3944 3.7228 3.7228 3.7354 3.7361 3.7370 3.7381 3.7393 3.7395 4.5557 4.5558 4.5740 4.5754 4.5754 4.5763 4.5765 4.5772 5.5935 5.5936 5.6752 5.6762 5.6844 5.6846 5.6921 5.6944 6.0279 6.0309 6.0346 6.0382 6.0453 6.0455 6.1818 6.1819 6.1859 6.1861 6.2617 6.2620 6.2738 6.2749 6.2846 6.2858 6.4700 6.4701 6.5250 6.5258 6.5259 6.5273 6.5276 6.5279 7.6453 7.6474 7.6564 7.6612 7.6654 7.6663 7.9058 7.9068 8.0730 8.0732 8.1307 8.1367 8.1609 8.1614 8.1863 8.1891 8.7463 8.7473 8.7528 8.7555 8.8362 8.8391 8.8418 8.8458 11.0936 11.0970 11.1067 11.1156 11.1299 11.1356 11.2546 11.2549 12.1069 12.1074 12.1798 12.1839 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -4.0910 -4.0910 -4.0910 -4.0910 -4.0910 -4.0910 -4.0910 -4.0910 -0.4190 -0.4190 -0.4190 -0.4190 -0.4190 -0.4190 -0.4182 -0.4182 3.7228 3.7228 3.7373 3.7373 3.7373 3.7373 3.7373 3.7373 4.5566 4.5566 4.5766 4.5766 4.5766 4.5766 4.5766 4.5766 5.5956 5.5956 5.6860 5.6860 5.6860 5.6860 5.6860 5.6860 6.0357 6.0357 6.0358 6.0358 6.0358 6.0358 6.1813 6.1813 6.1858 6.1858 6.2723 6.2723 6.2724 6.2724 6.2724 6.2724 6.4702 6.4702 6.5270 6.5270 6.5271 6.5271 6.5271 6.5271 7.6619 7.6619 7.6619 7.6619 7.6619 7.6619 7.9133 7.9133 8.0894 8.0894 8.1590 8.1590 8.1591 8.1591 8.1591 8.1591 8.7790 8.7790 8.7899 8.7899 8.7899 8.7899 8.7899 8.7899 11.1133 11.1133 11.1133 11.1133 11.1133 11.1133 11.2511 11.2511 12.1075 12.1075 12.1850 12.1850 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -4.0910 -4.0910 -4.0910 -4.0910 -4.0910 -4.0910 -4.0910 -4.0910 -0.4190 -0.4190 -0.4190 -0.4190 -0.4190 -0.4190 -0.4182 -0.4182 3.7228 3.7228 3.7373 3.7373 3.7373 3.7373 3.7373 3.7373 4.5566 4.5566 4.5766 4.5766 4.5766 4.5766 4.5766 4.5766 5.5956 5.5956 5.6860 5.6860 5.6860 5.6860 5.6860 5.6860 6.0357 6.0357 6.0358 6.0358 6.0358 6.0358 6.1813 6.1813 6.1858 6.1858 6.2723 6.2723 6.2724 6.2724 6.2724 6.2724 6.4702 6.4702 6.5270 6.5270 6.5271 6.5271 6.5271 6.5271 7.6619 7.6619 7.6619 7.6619 7.6619 7.6619 7.9133 7.9133 8.0894 8.0894 8.1590 8.1590 8.1591 8.1591 8.1591 8.1591 8.7790 8.7790 8.7899 8.7899 8.7899 8.7899 8.7899 8.7899 11.1133 11.1133 11.1133 11.1133 11.1133 11.1133 11.2511 11.2511 12.1075 12.1075 12.1850 12.1850 k = 0.4861 0.5000 0.4861 ( 6488 PWs) bands (ev): -4.1005 -4.1005 -4.1004 -4.1004 -4.0820 -4.0820 -4.0819 -4.0819 -0.4411 -0.4411 -0.4407 -0.4407 -0.3951 -0.3951 -0.3946 -0.3946 3.7228 3.7228 3.7357 3.7357 3.7376 3.7376 3.7394 3.7394 4.5557 4.5557 4.5745 4.5746 4.5761 4.5761 4.5767 4.5767 5.5936 5.5936 5.6758 5.6758 5.6844 5.6844 5.6932 5.6932 6.0289 6.0290 6.0370 6.0370 6.0452 6.0453 6.1818 6.1818 6.1860 6.1860 6.2619 6.2619 6.2742 6.2742 6.2852 6.2852 6.4701 6.4701 6.5252 6.5252 6.5267 6.5267 6.5278 6.5278 7.6467 7.6467 7.6582 7.6582 7.6661 7.6661 7.9062 7.9062 8.0740 8.0740 8.1318 8.1318 8.1637 8.1637 8.1864 8.1864 8.7470 8.7470 8.7543 8.7544 8.8372 8.8373 8.8437 8.8437 11.0949 11.0950 11.1112 11.1112 11.1330 11.1330 11.2547 11.2547 12.1072 12.1072 12.1815 12.1815 k = 0.4722 0.5000 0.4722 ( 6488 PWs) bands (ev): -4.1105 -4.1105 -4.1103 -4.1103 -4.0734 -4.0734 -4.0732 -4.0732 -0.4611 -0.4611 -0.4608 -0.4608 -0.3694 -0.3693 -0.3688 -0.3688 3.7224 3.7224 3.7334 3.7334 3.7391 3.7391 3.7430 3.7430 4.5528 4.5528 4.5693 4.5693 4.5744 4.5744 4.5771 4.5771 5.5868 5.5868 5.6617 5.6618 5.6809 5.6809 5.6983 5.6983 6.0250 6.0251 6.0405 6.0405 6.0563 6.0564 6.1823 6.1824 6.1873 6.1873 6.2537 6.2537 6.2799 6.2799 6.3007 6.3007 6.4697 6.4697 6.5223 6.5223 6.5258 6.5258 6.5280 6.5281 7.6179 7.6180 7.6453 7.6453 7.6639 7.6639 7.8864 7.8864 8.0402 8.0402 8.1038 8.1038 8.1707 8.1707 8.2095 8.2095 8.7289 8.7289 8.7386 8.7386 8.9018 8.9018 8.9120 8.9120 11.0779 11.0779 11.1055 11.1055 11.1540 11.1540 11.2648 11.2648 12.1060 12.1060 12.1770 12.1770 k = 0.4583 0.5000 0.4583 ( 6494 PWs) bands (ev): -4.1210 -4.1210 -4.1207 -4.1207 -4.0650 -4.0650 -4.0647 -4.0647 -0.4791 -0.4791 -0.4788 -0.4787 -0.3421 -0.3420 -0.3415 -0.3414 3.7204 3.7204 3.7298 3.7298 3.7430 3.7430 3.7487 3.7487 4.5468 4.5468 4.5608 4.5608 4.5727 4.5727 4.5776 4.5776 5.5743 5.5743 5.6432 5.6432 5.6778 5.6779 5.7022 5.7022 6.0234 6.0235 6.0463 6.0463 6.0676 6.0677 6.1816 6.1816 6.1899 6.1899 6.2476 6.2476 6.2895 6.2895 6.3186 6.3186 6.4688 6.4689 6.5185 6.5186 6.5243 6.5243 6.5287 6.5288 7.5758 7.5758 7.6205 7.6205 7.6581 7.6581 7.8576 7.8576 8.0016 8.0016 8.0723 8.0723 8.1747 8.1747 8.2251 8.2251 8.7303 8.7304 8.7425 8.7425 8.9761 8.9761 8.9906 8.9906 11.0620 11.0620 11.0975 11.0975 11.1760 11.1761 11.2797 11.2797 12.1034 12.1034 12.1707 12.1707 k = 0.4444 0.5000 0.4444 ( 6496 PWs) bands (ev): -4.1320 -4.1320 -4.1316 -4.1316 -4.0570 -4.0569 -4.0565 -4.0565 -0.4949 -0.4949 -0.4945 -0.4945 -0.3133 -0.3133 -0.3126 -0.3126 3.7165 3.7165 3.7251 3.7251 3.7496 3.7496 3.7565 3.7565 4.5373 4.5373 4.5493 4.5493 4.5718 4.5718 4.5785 4.5785 5.5556 5.5556 5.6204 5.6204 5.6768 5.6768 5.7050 5.7050 6.0231 6.0231 6.0537 6.0538 6.0780 6.0781 6.1794 6.1794 6.1932 6.1933 6.2438 6.2439 6.3023 6.3024 6.3380 6.3380 6.4671 6.4671 6.5144 6.5144 6.5231 6.5232 6.5313 6.5314 7.5225 7.5225 7.5829 7.5829 7.6490 7.6490 7.8234 7.8234 7.9641 7.9641 8.0375 8.0375 8.1755 8.1755 8.2329 8.2329 8.7494 8.7494 8.7638 8.7639 9.0576 9.0576 9.0763 9.0764 11.0470 11.0470 11.0881 11.0882 11.1989 11.1989 11.2977 11.2977 12.0990 12.0990 12.1622 12.1622 k = 0.4306 0.5000 0.4306 ( 6498 PWs) bands (ev): -4.1435 -4.1435 -4.1431 -4.1431 -4.0490 -4.0490 -4.0485 -4.0485 -0.5086 -0.5086 -0.5080 -0.5080 -0.2833 -0.2833 -0.2825 -0.2825 3.7112 3.7112 3.7194 3.7194 3.7588 3.7588 3.7664 3.7664 4.5245 4.5245 4.5351 4.5352 4.5717 4.5718 4.5796 4.5796 5.5320 5.5320 5.5941 5.5941 5.6776 5.6776 5.7070 5.7070 6.0225 6.0226 6.0616 6.0616 6.0869 6.0869 6.1758 6.1758 6.1971 6.1971 6.2430 6.2431 6.3169 6.3170 6.3576 6.3577 6.4637 6.4637 6.5100 6.5100 6.5237 6.5238 6.5381 6.5382 7.4607 7.4607 7.5334 7.5335 7.6362 7.6362 7.7858 7.7858 7.9302 7.9302 8.0008 8.0008 8.1744 8.1744 8.2349 8.2349 8.7824 8.7825 8.7986 8.7987 9.1440 9.1440 9.1668 9.1668 11.0323 11.0324 11.0781 11.0782 11.2220 11.2220 11.3173 11.3173 12.0924 12.0924 12.1516 12.1516 k = 0.4167 0.5000 0.4167 ( 6498 PWs) bands (ev): -4.1556 -4.1556 -4.1552 -4.1552 -4.0413 -4.0413 -4.0406 -4.0406 -0.5200 -0.5200 -0.5193 -0.5193 -0.2523 -0.2523 -0.2513 -0.2513 3.7048 3.7048 3.7128 3.7128 3.7704 3.7704 3.7785 3.7785 4.5090 4.5090 4.5186 4.5186 4.5724 4.5724 4.5810 4.5810 5.5049 5.5049 5.5650 5.5650 5.6793 5.6793 5.7078 5.7078 6.0203 6.0204 6.0675 6.0675 6.0943 6.0943 6.1708 6.1708 6.2018 6.2018 6.2459 6.2459 6.3306 6.3307 6.3757 6.3757 6.4585 6.4586 6.5054 6.5054 6.5279 6.5280 6.5512 6.5512 7.3931 7.3931 7.4749 7.4749 7.6193 7.6194 7.7453 7.7453 7.9007 7.9007 7.9641 7.9641 8.1728 8.1728 8.2337 8.2337 8.8257 8.8257 8.8430 8.8430 9.2336 9.2336 9.2601 9.2601 11.0175 11.0175 11.0676 11.0676 11.2449 11.2449 11.3372 11.3372 12.0837 12.0838 12.1391 12.1391 k = 0.4028 0.5000 0.4028 ( 6486 PWs) bands (ev): -4.1683 -4.1683 -4.1678 -4.1678 -4.0336 -4.0336 -4.0327 -4.0327 -0.5291 -0.5291 -0.5282 -0.5282 -0.2205 -0.2204 -0.2193 -0.2192 3.6976 3.6976 3.7056 3.7056 3.7841 3.7841 3.7926 3.7926 4.4912 4.4912 4.5001 4.5001 4.5735 4.5735 4.5828 4.5828 5.4756 5.4757 5.5343 5.5343 5.6808 5.6808 5.7075 5.7075 6.0150 6.0151 6.0691 6.0691 6.1000 6.1000 6.1649 6.1650 6.2080 6.2081 6.2526 6.2527 6.3408 6.3409 6.3907 6.3907 6.4525 6.4525 6.5009 6.5010 6.5376 6.5376 6.5714 6.5715 7.3222 7.3222 7.4108 7.4108 7.5986 7.5986 7.7027 7.7027 7.8746 7.8746 7.9286 7.9286 8.1715 8.1715 8.2317 8.2317 8.8757 8.8758 8.8938 8.8938 9.3249 9.3249 9.3549 9.3549 11.0018 11.0018 11.0564 11.0565 11.2670 11.2670 11.3565 11.3566 12.0735 12.0736 12.1251 12.1251 k = 0.3889 0.5000 0.3889 ( 6482 PWs) bands (ev): -4.1815 -4.1815 -4.1810 -4.1810 -4.0259 -4.0259 -4.0250 -4.0250 -0.5360 -0.5360 -0.5349 -0.5349 -0.1880 -0.1880 -0.1866 -0.1866 3.6900 3.6900 3.6981 3.6981 3.7998 3.7998 3.8088 3.8088 4.4715 4.4715 4.4798 4.4798 4.5751 4.5751 4.5849 4.5849 5.4454 5.4454 5.5025 5.5025 5.6814 5.6814 5.7059 5.7059 6.0054 6.0054 6.0652 6.0653 6.1027 6.1027 6.1585 6.1585 6.2167 6.2167 6.2628 6.2628 6.3456 6.3457 6.4016 6.4017 6.4473 6.4474 6.4974 6.4974 6.5539 6.5540 6.5980 6.5981 7.2502 7.2502 7.3444 7.3444 7.5745 7.5745 7.6589 7.6589 7.8503 7.8503 7.8948 7.8948 8.1713 8.1713 8.2304 8.2304 8.9302 8.9302 8.9486 8.9486 9.4167 9.4167 9.4500 9.4500 10.9844 10.9844 11.0441 11.0442 11.2877 11.2877 11.3744 11.3744 12.0623 12.0623 12.1103 12.1104 k = 0.3750 0.5000 0.3750 ( 6494 PWs) bands (ev): -4.1952 -4.1952 -4.1947 -4.1947 -4.0183 -4.0183 -4.0172 -4.0172 -0.5407 -0.5407 -0.5393 -0.5393 -0.1553 -0.1552 -0.1535 -0.1535 3.6823 3.6823 3.6904 3.6904 3.8175 3.8175 3.8269 3.8269 4.4504 4.4504 4.4583 4.4583 4.5770 4.5770 4.5874 4.5874 5.4147 5.4148 5.4703 5.4703 5.6805 5.6805 5.7029 5.7029 5.9907 5.9908 6.0555 6.0556 6.1014 6.1014 6.1515 6.1515 6.2274 6.2274 6.2749 6.2749 6.3446 6.3446 6.4087 6.4087 6.4450 6.4451 6.4957 6.4958 6.5767 6.5767 6.6289 6.6290 7.1792 7.1792 7.2785 7.2785 7.5480 7.5480 7.6152 7.6152 7.8264 7.8264 7.8626 7.8626 8.1725 8.1725 8.2306 8.2307 8.9871 8.9871 9.0057 9.0057 9.5080 9.5080 9.5445 9.5445 10.9643 10.9644 11.0301 11.0302 11.3064 11.3064 11.3902 11.3902 12.0506 12.0506 12.0959 12.0959 k = 0.3611 0.5000 0.3611 ( 6486 PWs) bands (ev): -4.2094 -4.2094 -4.2088 -4.2088 -4.0106 -4.0106 -4.0094 -4.0094 -0.5432 -0.5432 -0.5416 -0.5416 -0.1224 -0.1223 -0.1203 -0.1203 3.6747 3.6747 3.6829 3.6829 3.8370 3.8370 3.8469 3.8469 4.4281 4.4282 4.4357 4.4357 4.5794 4.5794 4.5903 4.5903 5.3844 5.3844 5.4381 5.4381 5.6778 5.6778 5.6984 5.6984 5.9708 5.9709 6.0400 6.0401 6.0965 6.0965 6.1438 6.1438 6.2386 6.2386 6.2868 6.2868 6.3389 6.3389 6.4123 6.4123 6.4476 6.4477 6.4975 6.4975 6.6038 6.6038 6.6621 6.6622 7.1112 7.1112 7.2155 7.2155 7.5204 7.5204 7.5731 7.5731 7.8021 7.8021 7.8317 7.8317 8.1750 8.1750 8.2327 8.2327 9.0451 9.0451 9.0639 9.0639 9.5981 9.5981 9.6376 9.6376 10.9409 10.9409 11.0136 11.0136 11.3226 11.3226 11.4038 11.4039 12.0390 12.0390 12.0829 12.0830 k = 0.3472 0.5000 0.3472 ( 6482 PWs) bands (ev): -4.2239 -4.2239 -4.2234 -4.2233 -4.0030 -4.0030 -4.0016 -4.0016 -0.5436 -0.5435 -0.5417 -0.5416 -0.0896 -0.0896 -0.0872 -0.0872 3.6675 3.6675 3.6759 3.6759 3.8582 3.8582 3.8685 3.8685 4.4050 4.4050 4.4123 4.4123 4.5821 4.5822 4.5936 4.5936 5.3546 5.3546 5.4064 5.4064 5.6730 5.6730 5.6925 5.6925 5.9458 5.9459 6.0188 6.0189 6.0887 6.0887 6.1346 6.1346 6.2478 6.2478 6.2964 6.2964 6.3309 6.3309 6.4125 6.4125 6.4563 6.4564 6.5039 6.5040 6.6328 6.6328 6.6953 6.6954 7.0482 7.0482 7.1574 7.1574 7.4929 7.4929 7.5336 7.5336 7.7772 7.7772 7.8019 7.8019 8.1786 8.1786 8.2365 8.2365 9.1031 9.1031 9.1221 9.1221 9.6862 9.6862 9.7285 9.7285 10.9132 10.9133 10.9937 10.9937 11.3363 11.3364 11.4155 11.4155 12.0278 12.0279 12.0729 12.0729 k = 0.3333 0.5000 0.3333 ( 6486 PWs) bands (ev): -4.2388 -4.2388 -4.2382 -4.2382 -3.9953 -3.9953 -3.9938 -3.9938 -0.5419 -0.5419 -0.5397 -0.5397 -0.0572 -0.0572 -0.0544 -0.0544 3.6610 3.6610 3.6695 3.6695 3.8808 3.8808 3.8916 3.8916 4.3814 4.3814 4.3886 4.3886 4.5853 4.5853 4.5974 4.5974 5.3258 5.3258 5.3754 5.3754 5.6660 5.6660 5.6849 5.6850 5.9161 5.9162 5.9925 5.9926 6.0787 6.0787 6.1235 6.1236 6.2528 6.2528 6.3003 6.3004 6.3251 6.3251 6.4100 6.4100 6.4701 6.4702 6.5158 6.5159 6.6608 6.6608 6.7259 6.7259 6.9930 6.9930 7.1059 7.1059 7.4669 7.4669 7.4978 7.4978 7.7518 7.7518 7.7728 7.7728 8.1829 8.1829 8.2415 8.2415 9.1602 9.1602 9.1794 9.1794 9.7716 9.7716 9.8163 9.8164 10.8811 10.8811 10.9697 10.9698 11.3478 11.3479 11.4255 11.4255 12.0178 12.0178 12.0665 12.0666 k = 0.3194 0.5000 0.3194 ( 6460 PWs) bands (ev): -4.2540 -4.2540 -4.2534 -4.2534 -3.9875 -3.9875 -3.9859 -3.9859 -0.5383 -0.5383 -0.5357 -0.5357 -0.0254 -0.0254 -0.0222 -0.0222 3.6554 3.6554 3.6640 3.6640 3.9046 3.9046 3.9160 3.9160 4.3575 4.3575 4.3647 4.3647 4.5888 4.5888 4.6017 4.6017 5.2982 5.2982 5.3453 5.3453 5.6565 5.6565 5.6758 5.6758 5.8824 5.8824 5.9619 5.9620 6.0668 6.0668 6.1103 6.1103 6.2530 6.2530 6.2959 6.2959 6.3258 6.3259 6.4061 6.4062 6.4869 6.4869 6.5323 6.5323 6.6853 6.6853 6.7498 6.7498 6.9501 6.9501 7.0628 7.0629 7.4435 7.4435 7.4667 7.4668 7.7263 7.7263 7.7447 7.7447 8.1873 8.1874 8.2470 8.2470 9.2156 9.2157 9.2349 9.2350 9.8536 9.8536 9.9004 9.9004 10.8446 10.8446 10.9414 10.9414 11.3579 11.3579 11.4344 11.4345 12.0094 12.0094 12.0640 12.0640 k = 0.3056 0.5000 0.3056 ( 6456 PWs) bands (ev): -4.2693 -4.2693 -4.2687 -4.2687 -3.9797 -3.9797 -3.9780 -3.9780 -0.5328 -0.5328 -0.5299 -0.5299 0.0055 0.0055 0.0092 0.0092 3.6509 3.6509 3.6596 3.6596 3.9293 3.9293 3.9412 3.9412 4.3338 4.3338 4.3412 4.3412 4.5928 4.5928 4.6064 4.6064 5.2718 5.2718 5.3163 5.3163 5.6440 5.6441 5.6646 5.6646 5.8457 5.8458 5.9283 5.9283 6.0530 6.0530 6.0945 6.0945 6.2487 6.2487 6.2873 6.2873 6.3297 6.3298 6.4019 6.4019 6.5043 6.5043 6.5511 6.5512 6.7029 6.7029 6.7613 6.7613 6.9260 6.9260 7.0299 7.0299 7.4234 7.4234 7.4415 7.4415 7.7011 7.7011 7.7180 7.7180 8.1913 8.1913 8.2525 8.2525 9.2685 9.2685 9.2879 9.2880 9.9316 9.9316 9.9795 9.9795 10.8046 10.8046 10.9092 10.9092 11.3676 11.3676 11.4429 11.4429 12.0032 12.0032 12.0648 12.0648 k = 0.2917 0.5000 0.2917 ( 6452 PWs) bands (ev): -4.2848 -4.2848 -4.2842 -4.2842 -3.9720 -3.9720 -3.9702 -3.9701 -0.5256 -0.5256 -0.5224 -0.5224 0.0354 0.0354 0.0396 0.0396 3.6475 3.6475 3.6564 3.6564 3.9543 3.9543 3.9669 3.9669 4.3106 4.3106 4.3183 4.3183 4.5972 4.5972 4.6117 4.6117 5.2469 5.2469 5.2887 5.2887 5.6280 5.6280 5.6510 5.6510 5.8077 5.8077 5.8931 5.8931 6.0370 6.0371 6.0761 6.0761 6.2414 6.2414 6.2784 6.2784 6.3336 6.3336 6.3979 6.3980 6.5204 6.5204 6.5694 6.5694 6.7102 6.7102 6.7592 6.7593 6.9240 6.9240 7.0083 7.0083 7.4070 7.4070 7.4229 7.4230 7.6769 7.6769 7.6932 7.6933 8.1942 8.1943 8.2572 8.2573 9.3179 9.3179 9.3375 9.3375 10.0046 10.0046 10.0526 10.0526 10.7627 10.7627 10.8746 10.8746 11.3780 11.3780 11.4513 11.4513 11.9995 11.9995 12.0681 12.0681 k = 0.2778 0.5000 0.2778 ( 6468 PWs) bands (ev): -4.3003 -4.3003 -4.2996 -4.2996 -3.9642 -3.9642 -3.9623 -3.9623 -0.5168 -0.5168 -0.5132 -0.5132 0.0641 0.0641 0.0688 0.0688 3.6455 3.6455 3.6544 3.6545 3.9790 3.9790 3.9922 3.9922 4.2883 4.2884 4.2968 4.2968 4.6021 4.6021 4.6177 4.6177 5.2235 5.2235 5.2624 5.2624 5.6074 5.6075 5.6340 5.6341 5.7705 5.7705 5.8581 5.8581 6.0190 6.0190 6.0553 6.0553 6.2324 6.2324 6.2698 6.2698 6.3366 6.3366 6.3947 6.3947 6.5332 6.5332 6.5839 6.5839 6.7061 6.7061 6.7515 6.7515 6.9372 6.9372 6.9985 6.9985 7.3947 7.3947 7.4113 7.4113 7.6540 7.6541 7.6715 7.6715 8.1955 8.1955 8.2605 8.2605 9.3630 9.3630 9.3826 9.3826 10.0714 10.0714 10.1180 10.1180 10.7215 10.7216 10.8403 10.8404 11.3898 11.3898 11.4601 11.4601 11.9980 11.9980 12.0730 12.0730 k = 0.2639 0.5000 0.2639 ( 6468 PWs) bands (ev): -4.3156 -4.3156 -4.3150 -4.3150 -3.9564 -3.9564 -3.9544 -3.9544 -0.5065 -0.5065 -0.5026 -0.5026 0.0913 0.0913 0.0966 0.0966 3.6448 3.6448 3.6538 3.6538 4.0025 4.0025 4.0164 4.0164 4.2678 4.2678 4.2775 4.2775 4.6077 4.6077 4.6244 4.6244 5.2016 5.2016 5.2377 5.2377 5.5817 5.5817 5.6126 5.6126 5.7368 5.7369 5.8252 5.8253 5.9988 5.9989 6.0324 6.0324 6.2229 6.2229 6.2617 6.2617 6.3389 6.3389 6.3925 6.3925 6.5407 6.5407 6.5920 6.5921 6.6970 6.6970 6.7429 6.7429 6.9566 6.9566 6.9991 6.9991 7.3867 7.3867 7.4057 7.4057 7.6335 7.6335 7.6538 7.6538 8.1944 8.1944 8.2616 8.2616 9.4028 9.4028 9.4224 9.4224 10.1301 10.1301 10.1739 10.1739 10.6849 10.6849 10.8100 10.8100 11.4034 11.4034 11.4700 11.4700 11.9982 11.9982 12.0786 12.0786 k = 0.2500 0.5000 0.2500 ( 6456 PWs) bands (ev): -4.3308 -4.3308 -4.3302 -4.3302 -3.9487 -3.9487 -3.9466 -3.9466 -0.4950 -0.4950 -0.4907 -0.4907 0.1170 0.1170 0.1229 0.1229 3.6453 3.6453 3.6544 3.6544 4.0235 4.0235 4.0381 4.0381 4.2500 4.2500 4.2616 4.2616 4.6141 4.6141 4.6322 4.6322 5.1810 5.1810 5.2144 5.2145 5.5506 5.5506 5.5860 5.5860 5.7088 5.7089 5.7959 5.7959 5.9766 5.9766 6.0077 6.0077 6.2136 6.2136 6.2540 6.2540 6.3404 6.3404 6.3912 6.3912 6.5412 6.5412 6.5936 6.5936 6.6899 6.6899 6.7332 6.7332 6.9772 6.9772 7.0078 7.0078 7.3825 7.3825 7.4046 7.4046 7.6163 7.6163 7.6413 7.6413 8.1904 8.1904 8.2600 8.2600 9.4362 9.4362 9.4556 9.4556 10.1784 10.1784 10.2186 10.2186 10.6569 10.6570 10.7878 10.7878 11.4188 11.4188 11.4814 11.4814 11.9993 11.9993 12.0843 12.0843 k = 0.2361 0.5000 0.2361 ( 6472 PWs) bands (ev): -4.3458 -4.3458 -4.3452 -4.3452 -3.9411 -3.9411 -3.9390 -3.9389 -0.4824 -0.4823 -0.4777 -0.4777 0.1410 0.1411 0.1475 0.1475 3.6469 3.6469 3.6562 3.6562 4.0402 4.0402 4.0556 4.0556 4.2361 4.2361 4.2504 4.2505 4.6214 4.6214 4.6412 4.6412 5.1616 5.1616 5.1927 5.1927 5.5149 5.5149 5.5552 5.5552 5.6867 5.6868 5.7705 5.7705 5.9526 5.9526 5.9817 5.9817 6.2047 6.2047 6.2466 6.2466 6.3412 6.3412 6.3907 6.3907 6.5347 6.5348 6.5909 6.5910 6.6847 6.6847 6.7230 6.7230 6.9965 6.9965 7.0220 7.0221 7.3807 7.3807 7.4057 7.4058 7.6039 7.6039 7.6350 7.6350 8.1830 8.1831 8.2549 8.2549 9.4623 9.4623 9.4814 9.4814 10.2135 10.2135 10.2515 10.2515 10.6419 10.6419 10.7776 10.7776 11.4357 11.4357 11.4951 11.4951 12.0005 12.0005 12.0894 12.0894 k = 0.2222 0.5000 0.2222 ( 6484 PWs) bands (ev): -4.3604 -4.3604 -4.3598 -4.3598 -3.9336 -3.9336 -3.9314 -3.9314 -0.4688 -0.4688 -0.4637 -0.4637 0.1633 0.1633 0.1704 0.1704 3.6494 3.6494 3.6588 3.6588 4.0509 4.0509 4.0671 4.0671 4.2278 4.2278 4.2455 4.2455 4.6299 4.6300 4.6517 4.6517 5.1428 5.1428 5.1723 5.1723 5.4766 5.4766 5.5227 5.5227 5.6693 5.6693 5.7491 5.7491 5.9270 5.9270 5.9548 5.9548 6.1966 6.1966 6.2396 6.2397 6.3417 6.3417 6.3906 6.3906 6.5237 6.5237 6.5859 6.5859 6.6787 6.6788 6.7135 6.7135 7.0141 7.0141 7.0397 7.0397 7.3794 7.3794 7.4070 7.4070 7.5980 7.5980 7.6357 7.6357 8.1718 8.1718 8.2460 8.2460 9.4803 9.4803 9.4990 9.4990 10.2343 10.2343 10.2740 10.2740 10.6419 10.6419 10.7812 10.7812 11.4536 11.4536 11.5117 11.5117 12.0011 12.0011 12.0936 12.0936 k = 0.2083 0.5000 0.2083 ( 6480 PWs) bands (ev): -4.3746 -4.3746 -4.3740 -4.3740 -3.9263 -3.9263 -3.9240 -3.9240 -0.4544 -0.4544 -0.4490 -0.4490 0.1838 0.1838 0.1914 0.1914 3.6526 3.6526 3.6621 3.6621 4.0548 4.0548 4.0715 4.0715 4.2262 4.2262 4.2470 4.2470 4.6399 4.6399 4.6640 4.6640 5.1241 5.1241 5.1530 5.1530 5.4385 5.4385 5.4910 5.4910 5.6547 5.6548 5.7308 5.7308 5.9006 5.9006 5.9276 5.9276 6.1894 6.1894 6.2330 6.2331 6.3418 6.3418 6.3906 6.3906 6.5112 6.5112 6.5786 6.5787 6.6707 6.6708 6.7047 6.7048 7.0302 7.0302 7.0584 7.0584 7.3770 7.3770 7.4065 7.4065 7.5997 7.5997 7.6434 7.6434 8.1563 8.1563 8.2326 8.2326 9.4898 9.4898 9.5081 9.5081 10.2441 10.2441 10.2884 10.2884 10.6559 10.6559 10.7971 10.7971 11.4723 11.4723 11.5317 11.5317 12.0003 12.0003 12.0966 12.0966 k = 0.1944 0.5000 0.1944 ( 6476 PWs) bands (ev): -4.3882 -4.3882 -4.3877 -4.3877 -3.9192 -3.9192 -3.9169 -3.9169 -0.4395 -0.4395 -0.4337 -0.4337 0.2024 0.2024 0.2107 0.2107 3.6560 3.6560 3.6657 3.6657 4.0526 4.0526 4.0692 4.0692 4.2305 4.2305 4.2538 4.2538 4.6513 4.6513 4.6782 4.6782 5.1048 5.1048 5.1342 5.1342 5.4033 5.4033 5.4625 5.4625 5.6420 5.6420 5.7148 5.7148 5.8739 5.8739 5.9006 5.9006 6.1831 6.1832 6.2268 6.2268 6.3416 6.3417 6.3903 6.3903 6.4992 6.4993 6.5690 6.5691 6.6614 6.6615 6.6961 6.6962 7.0449 7.0449 7.0766 7.0767 7.3725 7.3725 7.4036 7.4036 7.6089 7.6089 7.6573 7.6573 8.1364 8.1364 8.2146 8.2146 9.4912 9.4912 9.5092 9.5092 10.2485 10.2485 10.2977 10.2978 10.6801 10.6802 10.8219 10.8219 11.4919 11.4919 11.5551 11.5551 11.9975 11.9975 12.0985 12.0985 k = 0.1806 0.5000 0.1806 ( 6472 PWs) bands (ev): -4.4013 -4.4013 -4.4008 -4.4008 -3.9123 -3.9123 -3.9100 -3.9100 -0.4243 -0.4243 -0.4182 -0.4182 0.2192 0.2192 0.2281 0.2281 3.6594 3.6594 3.6693 3.6693 4.0464 4.0464 4.0624 4.0624 4.2387 4.2388 4.2636 4.2636 4.6641 4.6641 4.6943 4.6943 5.0843 5.0843 5.1149 5.1149 5.3737 5.3737 5.4387 5.4388 5.6301 5.6301 5.7003 5.7003 5.8477 5.8477 5.8745 5.8745 6.1779 6.1780 6.2208 6.2209 6.3410 6.3410 6.3896 6.3896 6.4889 6.4889 6.5572 6.5572 6.6520 6.6520 6.6871 6.6872 7.0579 7.0579 7.0935 7.0935 7.3658 7.3658 7.3988 7.3989 7.6240 7.6240 7.6756 7.6756 8.1122 8.1122 8.1919 8.1920 9.4857 9.4857 9.5037 9.5037 10.2522 10.2522 10.3051 10.3051 10.7104 10.7104 10.8513 10.8513 11.5128 11.5128 11.5816 11.5816 11.9924 11.9924 12.0994 12.0994 k = 0.1667 0.5000 0.1667 ( 6486 PWs) bands (ev): -4.4137 -4.4137 -4.4132 -4.4132 -3.9057 -3.9057 -3.9033 -3.9033 -0.4090 -0.4090 -0.4025 -0.4025 0.2342 0.2342 0.2436 0.2437 3.6622 3.6622 3.6725 3.6725 4.0382 4.0382 4.0534 4.0534 4.2486 4.2486 4.2745 4.2745 4.6781 4.6781 4.7119 4.7119 5.0625 5.0625 5.0939 5.0940 5.3519 5.3520 5.4209 5.4210 5.6187 5.6187 5.6865 5.6865 5.8227 5.8228 5.8500 5.8500 6.1738 6.1738 6.2152 6.2152 6.3397 6.3398 6.3883 6.3883 6.4804 6.4805 6.5434 6.5434 6.6430 6.6431 6.6777 6.6778 7.0686 7.0686 7.1085 7.1085 7.3568 7.3568 7.3932 7.3933 7.6430 7.6430 7.6966 7.6966 8.0842 8.0842 8.1649 8.1649 9.4752 9.4752 9.4933 9.4933 10.2574 10.2574 10.3128 10.3128 10.7433 10.7433 10.8820 10.8820 11.5352 11.5352 11.6106 11.6106 11.9847 11.9847 12.0998 12.0998 k = 0.1528 0.5000 0.1528 ( 6474 PWs) bands (ev): -4.4254 -4.4254 -4.4249 -4.4249 -3.8995 -3.8995 -3.8971 -3.8971 -0.3937 -0.3937 -0.3869 -0.3869 0.2474 0.2474 0.2575 0.2575 3.6643 3.6643 3.6748 3.6748 4.0295 4.0295 4.0439 4.0439 4.2587 4.2587 4.2852 4.2852 4.6929 4.6930 4.7305 4.7305 5.0395 5.0396 5.0708 5.0708 5.3394 5.3394 5.4096 5.4096 5.6074 5.6074 5.6729 5.6729 5.7999 5.7999 5.8279 5.8280 6.1708 6.1708 6.2100 6.2100 6.3377 6.3377 6.3866 6.3867 6.4736 6.4737 6.5283 6.5283 6.6349 6.6350 6.6684 6.6685 7.0768 7.0768 7.1213 7.1213 7.3461 7.3461 7.3874 7.3874 7.6638 7.6638 7.7185 7.7185 8.0534 8.0534 8.1341 8.1342 9.4618 9.4618 9.4801 9.4801 10.2649 10.2649 10.3217 10.3217 10.7764 10.7764 10.9115 10.9115 11.5593 11.5593 11.6418 11.6418 11.9744 11.9744 12.1001 12.1001 k = 0.1389 0.5000 0.1389 ( 6486 PWs) bands (ev): -4.4363 -4.4363 -4.4358 -4.4358 -3.8936 -3.8936 -3.8912 -3.8912 -0.3788 -0.3788 -0.3717 -0.3717 0.2590 0.2590 0.2696 0.2696 3.6654 3.6654 3.6761 3.6761 4.0212 4.0213 4.0348 4.0349 4.2682 4.2682 4.2951 4.2951 4.7078 4.7079 4.7494 4.7494 5.0157 5.0157 5.0456 5.0457 5.3362 5.3363 5.4045 5.4046 5.5960 5.5960 5.6591 5.6591 5.7797 5.7797 5.8090 5.8090 6.1690 6.1690 6.2052 6.2052 6.3346 6.3347 6.3848 6.3849 6.4677 6.4677 6.5125 6.5126 6.6276 6.6277 6.6598 6.6599 7.0824 7.0824 7.1318 7.1318 7.3338 7.3338 7.3813 7.3813 7.6845 7.6845 7.7394 7.7394 8.0213 8.0213 8.1010 8.1010 9.4476 9.4476 9.4657 9.4657 10.2741 10.2742 10.3319 10.3319 10.8084 10.8084 10.9381 10.9381 11.5845 11.5845 11.6747 11.6747 11.9616 11.9616 12.1010 12.1010 k = 0.1250 0.5000 0.1250 ( 6494 PWs) bands (ev): -4.4463 -4.4463 -4.4459 -4.4459 -3.8882 -3.8882 -3.8857 -3.8857 -0.3645 -0.3644 -0.3570 -0.3570 0.2690 0.2690 0.2801 0.2801 3.6653 3.6653 3.6761 3.6761 4.0140 4.0140 4.0269 4.0269 4.2772 4.2772 4.3041 4.3041 4.7221 4.7221 4.7677 4.7678 4.9915 4.9915 5.0195 5.0195 5.3415 5.3415 5.4049 5.4049 5.5845 5.5845 5.6451 5.6452 5.7628 5.7628 5.7937 5.7937 6.1684 6.1685 6.2009 6.2009 6.3305 6.3306 6.3831 6.3831 6.4616 6.4616 6.4972 6.4972 6.6212 6.6213 6.6524 6.6525 7.0857 7.0857 7.1402 7.1402 7.3201 7.3201 7.3743 7.3743 7.7035 7.7035 7.7574 7.7574 7.9901 7.9901 8.0672 8.0673 9.4342 9.4342 9.4516 9.4516 10.2845 10.2845 10.3429 10.3429 10.8384 10.8384 10.9611 10.9611 11.6096 11.6097 11.7094 11.7094 11.9468 11.9468 12.1030 12.1030 k = 0.1111 0.5000 0.1111 ( 6484 PWs) bands (ev): -4.4554 -4.4554 -4.4550 -4.4550 -3.8832 -3.8832 -3.8807 -3.8807 -0.3509 -0.3508 -0.3432 -0.3432 0.2776 0.2776 0.2892 0.2892 3.6640 3.6640 3.6747 3.6747 4.0080 4.0080 4.0202 4.0202 4.2857 4.2857 4.3123 4.3123 4.7350 4.7350 4.7848 4.7848 4.9674 4.9675 4.9938 4.9939 5.3536 5.3536 5.4094 5.4095 5.5731 5.5732 5.6314 5.6315 5.7496 5.7496 5.7825 5.7825 6.1692 6.1692 6.1973 6.1973 6.3255 6.3255 6.3815 6.3815 6.4540 6.4540 6.4834 6.4834 6.6157 6.6158 6.6465 6.6466 7.0871 7.0871 7.1466 7.1466 7.3049 7.3049 7.3658 7.3658 7.7193 7.7193 7.7708 7.7708 7.9626 7.9626 8.0352 8.0352 9.4225 9.4225 9.4390 9.4390 10.2953 10.2953 10.3539 10.3539 10.8660 10.8660 10.9800 10.9801 11.6334 11.6334 11.7454 11.7454 11.9308 11.9308 12.1063 12.1063 k = 0.0972 0.5000 0.0972 ( 6490 PWs) bands (ev): -4.4636 -4.4636 -4.4632 -4.4632 -3.8787 -3.8787 -3.8762 -3.8762 -0.3382 -0.3382 -0.3304 -0.3304 0.2847 0.2847 0.2968 0.2968 3.6618 3.6618 3.6722 3.6723 4.0033 4.0033 4.0146 4.0146 4.2939 4.2939 4.3198 4.3198 4.7458 4.7458 4.7999 4.8000 4.9440 4.9440 4.9700 4.9700 5.3704 5.3704 5.4164 5.4164 5.5622 5.5622 5.6187 5.6187 5.7403 5.7403 5.7752 5.7753 6.1712 6.1712 6.1945 6.1945 6.3197 6.3197 6.3794 6.3794 6.4440 6.4440 6.4722 6.4722 6.6113 6.6114 6.6419 6.6420 7.0871 7.0871 7.1513 7.1513 7.2880 7.2880 7.3550 7.3550 7.7304 7.7304 7.7777 7.7778 7.9416 7.9416 8.0074 8.0074 9.4131 9.4131 9.4281 9.4281 10.3058 10.3058 10.3644 10.3644 10.8911 10.8911 10.9951 10.9951 11.6545 11.6545 11.7815 11.7815 11.9155 11.9155 12.1107 12.1107 k = 0.0833 0.5000 0.0833 ( 6486 PWs) bands (ev): -4.4707 -4.4707 -4.4703 -4.4703 -3.8747 -3.8747 -3.8722 -3.8722 -0.3268 -0.3268 -0.3187 -0.3187 0.2907 0.2907 0.3031 0.3031 3.6590 3.6590 3.6689 3.6689 3.9998 3.9998 4.0101 4.0101 4.3020 4.3020 4.3269 4.3269 4.7543 4.7543 4.8128 4.8128 4.9218 4.9218 4.9490 4.9491 5.3897 5.3897 5.4240 5.4240 5.5524 5.5524 5.6076 5.6076 5.7348 5.7348 5.7717 5.7717 6.1744 6.1744 6.1928 6.1928 6.3135 6.3135 6.3762 6.3762 6.4326 6.4326 6.4631 6.4631 6.6085 6.6085 6.6385 6.6386 7.0866 7.0866 7.1545 7.1545 7.2697 7.2697 7.3414 7.3415 7.7358 7.7358 7.7780 7.7780 7.9281 7.9282 7.9866 7.9866 9.4061 9.4061 9.4194 9.4194 10.3155 10.3156 10.3738 10.3738 10.9137 10.9137 11.0064 11.0064 11.6726 11.6726 11.8127 11.8128 11.9058 11.9058 12.1153 12.1153 k = 0.0694 0.5000 0.0694 ( 6474 PWs) bands (ev): -4.4768 -4.4768 -4.4765 -4.4765 -3.8713 -3.8713 -3.8688 -3.8688 -0.3168 -0.3168 -0.3086 -0.3086 0.2955 0.2955 0.3082 0.3083 3.6558 3.6558 3.6650 3.6650 3.9973 3.9973 4.0064 4.0064 4.3098 4.3098 4.3335 4.3336 4.7603 4.7603 4.8231 4.8231 4.9016 4.9016 4.9316 4.9316 5.4089 5.4089 5.4308 5.4309 5.5446 5.5446 5.5986 5.5986 5.7330 5.7330 5.7715 5.7715 6.1784 6.1785 6.1926 6.1927 6.3072 6.3072 6.3706 6.3706 6.4224 6.4225 6.4549 6.4549 6.6074 6.6074 6.6359 6.6359 7.0861 7.0861 7.1561 7.1561 7.2508 7.2508 7.3254 7.3254 7.7356 7.7356 7.7732 7.7732 7.9211 7.9211 7.9741 7.9741 9.4013 9.4013 9.4126 9.4126 10.3242 10.3243 10.3819 10.3819 10.9338 10.9338 11.0143 11.0144 11.6879 11.6879 11.8268 11.8268 11.9135 11.9135 12.1189 12.1189 k = 0.0556 0.5000 0.0556 ( 6478 PWs) bands (ev): -4.4819 -4.4819 -4.4815 -4.4815 -3.8685 -3.8685 -3.8660 -3.8660 -0.3083 -0.3083 -0.3000 -0.3000 0.2993 0.2993 0.3123 0.3123 3.6527 3.6527 3.6610 3.6610 3.9956 3.9956 4.0033 4.0033 4.3173 4.3173 4.3395 4.3395 4.7639 4.7639 4.8304 4.8304 4.8844 4.8844 4.9177 4.9178 5.4253 5.4253 5.4362 5.4362 5.5397 5.5398 5.5916 5.5917 5.7341 5.7341 5.7736 5.7736 6.1826 6.1826 6.1944 6.1944 6.3014 6.3014 6.3614 6.3614 6.4156 6.4156 6.4470 6.4470 6.6078 6.6079 6.6336 6.6337 7.0866 7.0866 7.1553 7.1553 7.2332 7.2332 7.3076 7.3076 7.7319 7.7319 7.7656 7.7656 7.9180 7.9180 7.9690 7.9690 9.3983 9.3983 9.4075 9.4075 10.3316 10.3316 10.3883 10.3883 10.9514 10.9514 11.0192 11.0192 11.7013 11.7013 11.8203 11.8203 11.9414 11.9414 12.1198 12.1198 k = 0.0417 0.5000 0.0417 ( 6486 PWs) bands (ev): -4.4858 -4.4858 -4.4855 -4.4855 -3.8662 -3.8662 -3.8638 -3.8638 -0.3016 -0.3016 -0.2931 -0.2931 0.3021 0.3021 0.3153 0.3154 3.6499 3.6499 3.6573 3.6573 3.9947 3.9947 4.0007 4.0007 4.3239 4.3239 4.3446 4.3446 4.7656 4.7656 4.8343 4.8344 4.8717 4.8717 4.9074 4.9074 5.4357 5.4357 5.4411 5.4411 5.5386 5.5386 5.5862 5.5862 5.7372 5.7372 5.7773 5.7773 6.1863 6.1864 6.1979 6.1980 6.2970 6.2970 6.3492 6.3492 6.4124 6.4125 6.4394 6.4394 6.6097 6.6097 6.6315 6.6315 7.0888 7.0889 7.1502 7.1502 7.2202 7.2202 7.2895 7.2895 7.7273 7.7274 7.7573 7.7573 7.9173 7.9173 7.9685 7.9685 9.3967 9.3968 9.4037 9.4038 10.3375 10.3375 10.3931 10.3931 10.9665 10.9665 11.0213 11.0214 11.7136 11.7136 11.8053 11.8054 11.9764 11.9764 12.1166 12.1166 k = 0.0278 0.5000 0.0278 ( 6486 PWs) bands (ev): -4.4887 -4.4887 -4.4883 -4.4883 -3.8646 -3.8646 -3.8621 -3.8621 -0.2967 -0.2967 -0.2881 -0.2881 0.3041 0.3041 0.3175 0.3175 3.6478 3.6478 3.6544 3.6544 3.9943 3.9943 3.9986 3.9986 4.3292 4.3292 4.3484 4.3484 4.7661 4.7661 4.8344 4.8344 4.8647 4.8647 4.9003 4.9003 5.4392 5.4392 5.4466 5.4466 5.5406 5.5406 5.5819 5.5819 5.7410 5.7410 5.7812 5.7812 6.1897 6.1898 6.2018 6.2018 6.2952 6.2952 6.3357 6.3357 6.4120 6.4120 6.4326 6.4326 6.6124 6.6124 6.6292 6.6292 7.0936 7.0937 7.1398 7.1399 7.2144 7.2144 7.2728 7.2728 7.7237 7.7237 7.7499 7.7499 7.9177 7.9177 7.9698 7.9698 9.3963 9.3963 9.4011 9.4011 10.3418 10.3419 10.3964 10.3964 10.9788 10.9788 11.0213 11.0213 11.7258 11.7258 11.7886 11.7887 12.0111 12.0111 12.1081 12.1081 k = 0.0139 0.5000 0.0139 ( 6482 PWs) bands (ev): -4.4904 -4.4904 -4.4900 -4.4900 -3.8637 -3.8637 -3.8612 -3.8612 -0.2937 -0.2937 -0.2851 -0.2851 0.3052 0.3052 0.3187 0.3187 3.6464 3.6464 3.6524 3.6524 3.9945 3.9945 3.9970 3.9970 4.3327 4.3327 4.3508 4.3508 4.7662 4.7662 4.8323 4.8323 4.8624 4.8624 4.8962 4.8962 5.4402 5.4402 5.4496 5.4496 5.5437 5.5437 5.5787 5.5787 5.7441 5.7441 5.7843 5.7843 6.1925 6.1925 6.2043 6.2043 6.2968 6.2968 6.3234 6.3234 6.4130 6.4131 6.4273 6.4273 6.6151 6.6151 6.6269 6.6270 7.1015 7.1015 7.1263 7.1263 7.2143 7.2143 7.2601 7.2601 7.7215 7.7215 7.7448 7.7448 7.9184 7.9184 7.9711 7.9711 9.3965 9.3965 9.3992 9.3992 10.3445 10.3445 10.3984 10.3984 10.9875 10.9875 11.0199 11.0199 11.7381 11.7381 11.7728 11.7728 12.0418 12.0418 12.0943 12.0943 k = 0.0000 0.5000-0.0000 ( 6480 PWs) bands (ev): -4.4909 -4.4909 -4.4906 -4.4906 -3.8633 -3.8633 -3.8609 -3.8609 -0.2927 -0.2927 -0.2841 -0.2841 0.3056 0.3056 0.3191 0.3191 3.6460 3.6460 3.6518 3.6518 3.9948 3.9948 3.9963 3.9963 4.3339 4.3339 4.3517 4.3517 4.7661 4.7661 4.8312 4.8312 4.8620 4.8620 4.8948 4.8948 5.4405 5.4405 5.4505 5.4505 5.5452 5.5452 5.5774 5.5774 5.7452 5.7452 5.7854 5.7854 6.1937 6.1937 6.2050 6.2050 6.2990 6.2990 6.3173 6.3173 6.4139 6.4139 6.4250 6.4250 6.6165 6.6165 6.6258 6.6258 7.1108 7.1108 7.1146 7.1146 7.2153 7.2153 7.2550 7.2550 7.7209 7.7209 7.7430 7.7430 7.9187 7.9187 7.9717 7.9717 9.3969 9.3969 9.3983 9.3983 10.3454 10.3454 10.3990 10.3990 10.9909 10.9909 11.0189 11.0189 11.7463 11.7463 11.7633 11.7633 12.0603 12.0603 12.0815 12.0815 k = 0.5000 0.5000-0.0000 ( 6496 PWs) bands (ev): -4.2856 -4.2856 -4.2856 -4.2856 -4.0032 -4.0032 -4.0032 -4.0032 -0.5499 -0.5499 -0.5498 -0.5498 0.2448 0.2448 0.2449 0.2449 3.7490 3.7490 3.7491 3.7491 3.7847 3.7847 3.7847 3.7847 4.3536 4.3536 4.3536 4.3536 4.4413 4.4413 4.4414 4.4414 5.3429 5.3429 5.3429 5.3429 5.5457 5.5457 5.5457 5.5457 5.9004 5.9004 5.9005 5.9005 5.9587 5.9587 5.9588 5.9588 6.1528 6.1528 6.1529 6.1529 6.2027 6.2027 6.2027 6.2027 6.6171 6.6171 6.6172 6.6172 6.7200 6.7200 6.7201 6.7201 6.9413 6.9413 6.9413 6.9413 7.0968 7.0968 7.0968 7.0968 8.1018 8.1018 8.1018 8.1018 8.3618 8.3618 8.3619 8.3619 9.9268 9.9268 9.9268 9.9268 10.0581 10.0581 10.0581 10.0581 10.4333 10.4333 10.4334 10.4334 11.0121 11.0121 11.0121 11.0121 12.2317 12.2317 12.2317 12.2317 k = 0.5000 0.5000 0.0200 ( 6484 PWs) bands (ev): -4.2852 -4.2852 -4.2852 -4.2852 -4.0032 -4.0032 -4.0032 -4.0032 -0.5501 -0.5501 -0.5501 -0.5501 0.2427 0.2428 0.2429 0.2429 3.7489 3.7489 3.7492 3.7492 3.7846 3.7846 3.7848 3.7848 4.3530 4.3530 4.3556 4.3556 4.4406 4.4406 4.4426 4.4426 5.3416 5.3416 5.3469 5.3470 5.5416 5.5416 5.5494 5.5495 5.8949 5.8950 5.9085 5.9085 5.9597 5.9597 5.9598 5.9598 6.1507 6.1507 6.1584 6.1584 6.2023 6.2023 6.2058 6.2058 6.6156 6.6156 6.6199 6.6199 6.7194 6.7194 6.7218 6.7218 6.9396 6.9397 6.9408 6.9408 7.0935 7.0936 7.0972 7.0972 8.1001 8.1002 8.1030 8.1031 8.3592 8.3592 8.3621 8.3621 9.9204 9.9204 9.9277 9.9278 10.0397 10.0397 10.0501 10.0501 10.4388 10.4388 10.4564 10.4565 11.0061 11.0061 11.0198 11.0198 12.2275 12.2276 12.2371 12.2371 k = 0.5000 0.5000 0.0400 ( 6472 PWs) bands (ev): -4.2838 -4.2838 -4.2838 -4.2838 -4.0033 -4.0033 -4.0033 -4.0033 -0.5507 -0.5507 -0.5507 -0.5507 0.2366 0.2366 0.2369 0.2369 3.7487 3.7487 3.7492 3.7492 3.7845 3.7845 3.7850 3.7850 4.3538 4.3538 4.3588 4.3589 4.4405 4.4405 4.4444 4.4444 5.3430 5.3430 5.3537 5.3537 5.5372 5.5372 5.5524 5.5524 5.8922 5.8923 5.9186 5.9186 5.9623 5.9624 5.9629 5.9630 6.1523 6.1523 6.1667 6.1667 6.2049 6.2049 6.2114 6.2114 6.6153 6.6153 6.6238 6.6238 6.7199 6.7199 6.7244 6.7244 6.9361 6.9362 6.9383 6.9383 7.0875 7.0875 7.0948 7.0948 8.0980 8.0981 8.1038 8.1038 8.3542 8.3542 8.3600 8.3600 9.9080 9.9080 9.9233 9.9233 10.0026 10.0026 10.0182 10.0183 10.4703 10.4703 10.5012 10.5012 11.0020 11.0020 11.0291 11.0291 12.2247 12.2247 12.2436 12.2436 k = 0.5000 0.5000 0.0600 ( 6480 PWs) bands (ev): -4.2816 -4.2816 -4.2816 -4.2816 -4.0035 -4.0035 -4.0035 -4.0035 -0.5518 -0.5518 -0.5518 -0.5518 0.2265 0.2265 0.2269 0.2269 3.7484 3.7484 3.7491 3.7491 3.7844 3.7845 3.7851 3.7851 4.3560 4.3560 4.3634 4.3634 4.4409 4.4409 4.4467 4.4467 5.3470 5.3470 5.3629 5.3630 5.5329 5.5329 5.5545 5.5546 5.8923 5.8924 5.9302 5.9303 5.9665 5.9665 5.9683 5.9683 6.1578 6.1578 6.1767 6.1767 6.2109 6.2109 6.2194 6.2194 6.6160 6.6160 6.6285 6.6285 6.7212 6.7212 6.7274 6.7274 6.9316 6.9316 6.9344 6.9344 7.0790 7.0791 7.0899 7.0899 8.0955 8.0955 8.1041 8.1042 8.3469 8.3469 8.3556 8.3556 9.8874 9.8875 9.9126 9.9126 9.9574 9.9574 9.9722 9.9722 10.5186 10.5186 10.5588 10.5588 10.9995 10.9996 11.0396 11.0397 12.2228 12.2229 12.2510 12.2510 k = 0.5000 0.5000 0.0800 ( 6472 PWs) bands (ev): -4.2784 -4.2784 -4.2784 -4.2784 -4.0039 -4.0039 -4.0039 -4.0039 -0.5532 -0.5532 -0.5531 -0.5531 0.2126 0.2126 0.2131 0.2132 3.7480 3.7480 3.7489 3.7489 3.7844 3.7844 3.7851 3.7851 4.3597 4.3597 4.3692 4.3693 4.4419 4.4420 4.4496 4.4496 5.3533 5.3534 5.3746 5.3746 5.5289 5.5290 5.5559 5.5559 5.8952 5.8953 5.9429 5.9429 5.9720 5.9720 5.9761 5.9761 6.1671 6.1671 6.1873 6.1873 6.2208 6.2208 6.2296 6.2296 6.6174 6.6174 6.6334 6.6334 6.7232 6.7232 6.7302 6.7303 6.9273 6.9273 6.9302 6.9302 7.0688 7.0689 7.0831 7.0831 8.0926 8.0926 8.1040 8.1040 8.3374 8.3374 8.3489 8.3489 9.8537 9.8537 9.8896 9.8896 9.9151 9.9151 9.9252 9.9252 10.5763 10.5763 10.6234 10.6234 10.9987 10.9987 11.0512 11.0513 12.2217 12.2217 12.2588 12.2589 k = 0.5000 0.5000 0.1000 ( 6472 PWs) bands (ev): -4.2744 -4.2744 -4.2744 -4.2744 -4.0043 -4.0043 -4.0043 -4.0043 -0.5548 -0.5548 -0.5548 -0.5548 0.1951 0.1952 0.1958 0.1958 3.7475 3.7475 3.7486 3.7486 3.7842 3.7842 3.7849 3.7849 4.3650 4.3650 4.3763 4.3763 4.4437 4.4438 4.4531 4.4531 5.3619 5.3619 5.3882 5.3883 5.5256 5.5257 5.5565 5.5565 5.9006 5.9006 5.9558 5.9559 5.9786 5.9786 5.9864 5.9864 6.1800 6.1800 6.1978 6.1978 6.2346 6.2347 6.2418 6.2418 6.6187 6.6187 6.6372 6.6373 6.7255 6.7256 6.7322 6.7322 6.9248 6.9249 6.9272 6.9272 7.0580 7.0580 7.0754 7.0754 8.0893 8.0894 8.1033 8.1034 8.3257 8.3257 8.3400 8.3400 9.8043 9.8043 9.8409 9.8409 9.8810 9.8811 9.8950 9.8950 10.6387 10.6387 10.6916 10.6916 10.9993 10.9994 11.0635 11.0635 12.2209 12.2209 12.2665 12.2665 k = 0.5000 0.5000 0.1200 ( 6464 PWs) bands (ev): -4.2696 -4.2696 -4.2696 -4.2696 -4.0049 -4.0049 -4.0049 -4.0049 -0.5566 -0.5566 -0.5565 -0.5565 0.1744 0.1744 0.1751 0.1751 3.7468 3.7468 3.7480 3.7480 3.7839 3.7839 3.7844 3.7844 4.3718 4.3718 4.3847 4.3847 4.4463 4.4463 4.4572 4.4572 5.3723 5.3723 5.4037 5.4037 5.5231 5.5232 5.5566 5.5566 5.9081 5.9082 5.9689 5.9690 5.9863 5.9863 5.9989 5.9990 6.1960 6.1960 6.2081 6.2081 6.2513 6.2513 6.2559 6.2559 6.6188 6.6188 6.6381 6.6381 6.7281 6.7281 6.7324 6.7325 6.9260 6.9261 6.9272 6.9273 7.0483 7.0483 7.0680 7.0680 8.0857 8.0857 8.1023 8.1023 8.3120 8.3120 8.3290 8.3290 9.7458 9.7458 9.7797 9.7797 9.8505 9.8505 9.8706 9.8707 10.7030 10.7030 10.7612 10.7612 11.0012 11.0012 11.0760 11.0760 12.2197 12.2197 12.2734 12.2735 k = 0.5000 0.5000 0.1400 ( 6472 PWs) bands (ev): -4.2640 -4.2640 -4.2640 -4.2640 -4.0057 -4.0057 -4.0057 -4.0057 -0.5584 -0.5584 -0.5583 -0.5583 0.1505 0.1506 0.1514 0.1514 3.7461 3.7461 3.7472 3.7472 3.7833 3.7833 3.7835 3.7835 4.3801 4.3801 4.3942 4.3942 4.4497 4.4498 4.4619 4.4620 5.3842 5.3843 5.4206 5.4206 5.5216 5.5217 5.5564 5.5564 5.9174 5.9174 5.9821 5.9821 5.9947 5.9948 6.0132 6.0132 6.2145 6.2145 6.2185 6.2185 6.2694 6.2694 6.2713 6.2713 6.6162 6.6162 6.6337 6.6337 6.7305 6.7305 6.7309 6.7309 6.9319 6.9319 6.9320 6.9321 7.0425 7.0425 7.0628 7.0628 8.0818 8.0819 8.1008 8.1008 8.2965 8.2965 8.3160 8.3161 9.6834 9.6834 9.7150 9.7150 9.8191 9.8191 9.8440 9.8441 10.7673 10.7673 10.8304 10.8304 11.0041 11.0041 11.0887 11.0888 12.2176 12.2176 12.2790 12.2790 k = 0.5000 0.5000 0.1600 ( 6456 PWs) bands (ev): -4.2576 -4.2576 -4.2576 -4.2576 -4.0067 -4.0067 -4.0067 -4.0067 -0.5600 -0.5600 -0.5600 -0.5600 0.1240 0.1240 0.1249 0.1249 3.7452 3.7452 3.7462 3.7462 3.7823 3.7823 3.7824 3.7824 4.3898 4.3899 4.4048 4.4048 4.4541 4.4541 4.4674 4.4674 5.3974 5.3974 5.4386 5.4386 5.5214 5.5214 5.5564 5.5564 5.9279 5.9279 5.9955 5.9955 6.0040 6.0040 6.0285 6.0286 6.2292 6.2292 6.2348 6.2348 6.2875 6.2875 6.2877 6.2877 6.6092 6.6092 6.6228 6.6228 6.7263 6.7263 6.7331 6.7331 6.9423 6.9424 6.9432 6.9432 7.0444 7.0444 7.0622 7.0622 8.0778 8.0778 8.0989 8.0990 8.2793 8.2794 8.3013 8.3013 9.6190 9.6191 9.6488 9.6489 9.7855 9.7855 9.8140 9.8140 10.8298 10.8298 10.8975 10.8975 11.0082 11.0083 11.1017 11.1018 12.2141 12.2141 12.2826 12.2826 k = 0.5000 0.5000 0.1800 ( 6472 PWs) bands (ev): -4.2505 -4.2505 -4.2505 -4.2505 -4.0080 -4.0080 -4.0080 -4.0080 -0.5614 -0.5614 -0.5614 -0.5614 0.0951 0.0951 0.0961 0.0961 3.7442 3.7442 3.7449 3.7449 3.7805 3.7805 3.7811 3.7811 4.4009 4.4009 4.4164 4.4164 4.4593 4.4593 4.4735 4.4735 5.4114 5.4115 5.4574 5.4574 5.5226 5.5226 5.5567 5.5567 5.9392 5.9392 6.0091 6.0092 6.0137 6.0137 6.0443 6.0444 6.2399 6.2399 6.2559 6.2559 6.3044 6.3044 6.3045 6.3045 6.5967 6.5967 6.6057 6.6057 6.7196 6.7197 6.7320 6.7320 6.9589 6.9589 6.9598 6.9598 7.0576 7.0576 7.0688 7.0688 8.0736 8.0737 8.0968 8.0968 8.2608 8.2608 8.2848 8.2848 9.5534 9.5535 9.5817 9.5817 9.7491 9.7492 9.7802 9.7802 10.8883 10.8883 10.9600 10.9600 11.0143 11.0143 11.1159 11.1159 12.2087 12.2088 12.2838 12.2838 k = 0.5000 0.5000 0.2000 ( 6472 PWs) bands (ev): -4.2427 -4.2427 -4.2427 -4.2427 -4.0096 -4.0096 -4.0096 -4.0096 -0.5624 -0.5624 -0.5623 -0.5623 0.0642 0.0642 0.0652 0.0652 3.7430 3.7430 3.7434 3.7434 3.7783 3.7783 3.7795 3.7795 4.4130 4.4130 4.4288 4.4288 4.4654 4.4654 4.4803 4.4803 5.4260 5.4260 5.4768 5.4768 5.5254 5.5254 5.5577 5.5577 5.9509 5.9510 6.0230 6.0231 6.0238 6.0239 6.0602 6.0602 6.2502 6.2502 6.2770 6.2771 6.3192 6.3193 6.3207 6.3207 6.5790 6.5790 6.5841 6.5841 6.7096 6.7096 6.7249 6.7250 6.9820 6.9820 6.9832 6.9832 7.0834 7.0835 7.0847 7.0847 8.0696 8.0696 8.0946 8.0946 8.2411 8.2411 8.2670 8.2670 9.4870 9.4870 9.5138 9.5138 9.7098 9.7098 9.7425 9.7425 10.9389 10.9389 11.0140 11.0140 11.0250 11.0250 11.1337 11.1337 12.2012 12.2012 12.2823 12.2823 k = 0.5000 0.5000 0.2200 ( 6480 PWs) bands (ev): -4.2343 -4.2343 -4.2343 -4.2343 -4.0115 -4.0115 -4.0115 -4.0115 -0.5627 -0.5627 -0.5627 -0.5627 0.0317 0.0317 0.0327 0.0327 3.7418 3.7418 3.7418 3.7418 3.7757 3.7757 3.7774 3.7774 4.4260 4.4260 4.4419 4.4419 4.4724 4.4724 4.4877 4.4877 5.4407 5.4407 5.4963 5.4964 5.5300 5.5301 5.5597 5.5597 5.9628 5.9628 6.0341 6.0342 6.0370 6.0371 6.0757 6.0758 6.2597 6.2597 6.2973 6.2973 6.3309 6.3309 6.3358 6.3358 6.5578 6.5578 6.5605 6.5605 6.6952 6.6953 6.7105 6.7105 7.0120 7.0121 7.0152 7.0152 7.1104 7.1105 7.1209 7.1209 8.0659 8.0659 8.0924 8.0924 8.2207 8.2207 8.2480 8.2480 9.4199 9.4199 9.4453 9.4453 9.6673 9.6673 9.7007 9.7008 10.9737 10.9737 11.0469 11.0469 11.0538 11.0538 11.1595 11.1595 12.1913 12.1913 12.2780 12.2780 k = 0.5000 0.5000 0.2400 ( 6472 PWs) bands (ev): -4.2254 -4.2254 -4.2254 -4.2254 -4.0138 -4.0138 -4.0138 -4.0138 -0.5622 -0.5622 -0.5622 -0.5622 -0.0022 -0.0021 -0.0012 -0.0011 3.7400 3.7400 3.7406 3.7406 3.7727 3.7727 3.7750 3.7750 4.4397 4.4397 4.4555 4.4555 4.4802 4.4802 4.4956 4.4956 5.4552 5.4552 5.5158 5.5158 5.5368 5.5368 5.5631 5.5631 5.9743 5.9743 6.0444 6.0445 6.0508 6.0509 6.0908 6.0908 6.2675 6.2675 6.3153 6.3153 6.3386 6.3386 6.3491 6.3491 6.5353 6.5354 6.5373 6.5374 6.6762 6.6763 6.6896 6.6896 7.0495 7.0495 7.0562 7.0562 7.1456 7.1456 7.1680 7.1680 8.0626 8.0626 8.0905 8.0905 8.2000 8.2000 8.2282 8.2282 9.3521 9.3521 9.3762 9.3763 9.6214 9.6214 9.6548 9.6549 10.9904 10.9905 11.0768 11.0768 11.0814 11.0815 11.1945 11.1945 12.1793 12.1793 12.2710 12.2710 k = 0.5000 0.5000 0.2600 ( 6472 PWs) bands (ev): -4.2160 -4.2160 -4.2159 -4.2159 -4.0165 -4.0165 -4.0165 -4.0165 -0.5608 -0.5608 -0.5608 -0.5608 -0.0369 -0.0369 -0.0359 -0.0359 3.7380 3.7380 3.7393 3.7393 3.7693 3.7693 3.7723 3.7723 4.4538 4.4538 4.4693 4.4693 4.4887 4.4887 4.5040 4.5040 5.4692 5.4692 5.5344 5.5344 5.5458 5.5458 5.5686 5.5687 5.9851 5.9852 6.0544 6.0544 6.0641 6.0642 6.1050 6.1051 6.2722 6.2722 6.3285 6.3285 6.3420 6.3420 6.3605 6.3605 6.5147 6.5147 6.5171 6.5171 6.6532 6.6532 6.6641 6.6641 7.0942 7.0942 7.1051 7.1051 7.1886 7.1886 7.2228 7.2228 8.0601 8.0601 8.0890 8.0891 8.1795 8.1795 8.2079 8.2079 9.2838 9.2838 9.3067 9.3067 9.5720 9.5720 9.6046 9.6046 10.9982 10.9982 11.0881 11.0881 11.1186 11.1186 11.2326 11.2326 12.1657 12.1657 12.2617 12.2617 k = 0.5000 0.5000 0.2800 ( 6480 PWs) bands (ev): -4.2061 -4.2061 -4.2061 -4.2061 -4.0197 -4.0197 -4.0197 -4.0197 -0.5583 -0.5583 -0.5582 -0.5582 -0.0723 -0.0722 -0.0713 -0.0713 3.7360 3.7360 3.7381 3.7381 3.7658 3.7658 3.7692 3.7692 4.4678 4.4678 4.4831 4.4831 4.4978 4.4979 4.5127 4.5127 5.4825 5.4826 5.5509 5.5509 5.5572 5.5572 5.5776 5.5776 5.9950 5.9951 6.0637 6.0637 6.0764 6.0765 6.1183 6.1183 6.2719 6.2719 6.3332 6.3332 6.3419 6.3420 6.3712 6.3713 6.4991 6.4991 6.5017 6.5018 6.6275 6.6275 6.6361 6.6362 7.1453 7.1453 7.1603 7.1603 7.2381 7.2381 7.2840 7.2840 8.0585 8.0585 8.0882 8.0883 8.1600 8.1601 8.1877 8.1877 9.2151 9.2151 9.2367 9.2367 9.5189 9.5189 9.5499 9.5499 11.0028 11.0028 11.0931 11.0931 11.1517 11.1517 11.2673 11.2673 12.1515 12.1515 12.2505 12.2505 k = 0.5000 0.5000 0.3000 ( 6480 PWs) bands (ev): -4.1959 -4.1959 -4.1959 -4.1959 -4.0234 -4.0234 -4.0234 -4.0234 -0.5544 -0.5544 -0.5544 -0.5544 -0.1079 -0.1078 -0.1069 -0.1069 3.7340 3.7340 3.7369 3.7369 3.7621 3.7621 3.7660 3.7660 4.4815 4.4815 4.4967 4.4967 4.5074 4.5075 4.5215 4.5215 5.4953 5.4953 5.5640 5.5640 5.5706 5.5706 5.5912 5.5912 6.0037 6.0037 6.0719 6.0720 6.0872 6.0873 6.1304 6.1304 6.2648 6.2649 6.3273 6.3274 6.3404 6.3404 6.3816 6.3816 6.4905 6.4905 6.4917 6.4917 6.6008 6.6008 6.6077 6.6077 7.2017 7.2017 7.2203 7.2203 7.2923 7.2923 7.3501 7.3501 8.0576 8.0576 8.0881 8.0881 8.1428 8.1428 8.1685 8.1685 9.1462 9.1462 9.1666 9.1666 9.4619 9.4619 9.4908 9.4908 11.0065 11.0065 11.0947 11.0947 11.1784 11.1784 11.2952 11.2952 12.1377 12.1377 12.2382 12.2382 k = 0.5000 0.5000 0.3200 ( 6472 PWs) bands (ev): -4.1854 -4.1854 -4.1854 -4.1854 -4.0276 -4.0276 -4.0276 -4.0276 -0.5492 -0.5491 -0.5491 -0.5490 -0.1434 -0.1433 -0.1425 -0.1425 3.7321 3.7321 3.7359 3.7359 3.7583 3.7584 3.7627 3.7627 4.4947 4.4947 4.5098 4.5098 4.5174 4.5174 4.5303 4.5304 5.5077 5.5077 5.5749 5.5749 5.5856 5.5856 5.6081 5.6081 6.0108 6.0109 6.0787 6.0788 6.0956 6.0957 6.1412 6.1413 6.2514 6.2514 6.3135 6.3136 6.3386 6.3386 6.3896 6.3897 6.4859 6.4859 6.4885 6.4886 6.5752 6.5752 6.5809 6.5810 7.2617 7.2617 7.2834 7.2834 7.3497 7.3497 7.4199 7.4199 8.0569 8.0569 8.0879 8.0879 8.1297 8.1297 8.1518 8.1519 9.0774 9.0774 9.0966 9.0966 9.4010 9.4010 9.4272 9.4273 11.0102 11.0102 11.0946 11.0947 11.1976 11.1977 11.3145 11.3146 12.1256 12.1256 12.2256 12.2256 k = 0.5000 0.5000 0.3400 ( 6480 PWs) bands (ev): -4.1747 -4.1747 -4.1747 -4.1747 -4.0324 -4.0324 -4.0324 -4.0324 -0.5423 -0.5422 -0.5422 -0.5421 -0.1785 -0.1785 -0.1777 -0.1777 3.7302 3.7302 3.7349 3.7350 3.7547 3.7547 3.7593 3.7593 4.5069 4.5069 4.5222 4.5222 4.5274 4.5274 4.5389 4.5389 5.5199 5.5199 5.5854 5.5855 5.6016 5.6016 5.6262 5.6262 6.0162 6.0162 6.0834 6.0835 6.1004 6.1004 6.1506 6.1506 6.2348 6.2349 6.2961 6.2961 6.3357 6.3357 6.3927 6.3928 6.4822 6.4823 6.4909 6.4910 6.5531 6.5532 6.5581 6.5581 7.3238 7.3239 7.3476 7.3476 7.4082 7.4082 7.4921 7.4921 8.0551 8.0552 8.0856 8.0856 8.1234 8.1235 8.1409 8.1409 9.0093 9.0093 9.0274 9.0274 9.3363 9.3363 9.3595 9.3595 11.0146 11.0146 11.0939 11.0939 11.2091 11.2091 11.3249 11.3249 12.1160 12.1161 12.2136 12.2136 k = 0.5000 0.5000 0.3600 ( 6492 PWs) bands (ev): -4.1639 -4.1639 -4.1639 -4.1639 -4.0377 -4.0377 -4.0377 -4.0377 -0.5337 -0.5337 -0.5336 -0.5335 -0.2131 -0.2131 -0.2123 -0.2123 3.7285 3.7285 3.7342 3.7342 3.7511 3.7511 3.7559 3.7559 4.5180 4.5180 4.5337 4.5337 4.5372 4.5373 4.5471 4.5471 5.5321 5.5322 5.5967 5.5967 5.6180 5.6180 5.6440 5.6440 6.0196 6.0197 6.0855 6.0855 6.0999 6.0999 6.1585 6.1585 6.2194 6.2195 6.2790 6.2790 6.3304 6.3304 6.3887 6.3888 6.4790 6.4791 6.4956 6.4957 6.5371 6.5372 6.5412 6.5412 7.3861 7.3861 7.4112 7.4112 7.4658 7.4659 7.5653 7.5653 8.0517 8.0517 8.0783 8.0783 8.1262 8.1262 8.1393 8.1393 8.9430 8.9430 8.9599 8.9600 9.2680 9.2680 9.2880 9.2881 11.0202 11.0203 11.0934 11.0934 11.2130 11.2131 11.3266 11.3266 12.1094 12.1095 12.2030 12.2030 k = 0.5000 0.5000 0.3800 ( 6480 PWs) bands (ev): -4.1531 -4.1531 -4.1530 -4.1530 -4.0436 -4.0436 -4.0436 -4.0436 -0.5233 -0.5232 -0.5231 -0.5231 -0.2467 -0.2467 -0.2460 -0.2460 3.7270 3.7270 3.7338 3.7338 3.7479 3.7479 3.7526 3.7526 4.5279 4.5279 4.5442 4.5442 4.5466 4.5466 4.5546 4.5547 5.5445 5.5445 5.6089 5.6089 5.6341 5.6341 5.6605 5.6605 6.0212 6.0213 6.0845 6.0846 6.0932 6.0933 6.1651 6.1651 6.2082 6.2082 6.2649 6.2649 6.3217 6.3217 6.3772 6.3773 6.4756 6.4756 6.5013 6.5014 6.5283 6.5284 6.5311 6.5312 7.4464 7.4464 7.4717 7.4717 7.5204 7.5204 7.6382 7.6382 8.0486 8.0486 8.0673 8.0673 8.1373 8.1373 8.1468 8.1468 8.8799 8.8799 8.8958 8.8958 9.1967 9.1967 9.2135 9.2135 11.0275 11.0275 11.0937 11.0937 11.2102 11.2102 11.3209 11.3209 12.1057 12.1057 12.1943 12.1943 k = 0.5000 0.5000 0.4000 ( 6484 PWs) bands (ev): -4.1422 -4.1422 -4.1422 -4.1422 -4.0502 -4.0502 -4.0501 -4.0501 -0.5109 -0.5109 -0.5107 -0.5107 -0.2793 -0.2793 -0.2786 -0.2786 3.7257 3.7257 3.7335 3.7336 3.7449 3.7449 3.7494 3.7494 4.5364 4.5364 4.5533 4.5533 4.5552 4.5552 4.5613 4.5614 5.5567 5.5567 5.6220 5.6220 5.6490 5.6490 5.6748 5.6748 6.0214 6.0215 6.0804 6.0805 6.0815 6.0815 6.1706 6.1706 6.2011 6.2012 6.2554 6.2554 6.3102 6.3102 6.3600 6.3600 6.4725 6.4725 6.5072 6.5073 6.5251 6.5252 6.5266 6.5266 7.5023 7.5023 7.5269 7.5269 7.5693 7.5693 7.7091 7.7091 8.0492 8.0492 8.0560 8.0560 8.1543 8.1543 8.1597 8.1597 8.8227 8.8227 8.8373 8.8373 9.1231 9.1231 9.1367 9.1368 11.0367 11.0367 11.0953 11.0954 11.2014 11.2015 11.3097 11.3097 12.1042 12.1043 12.1878 12.1878 k = 0.5000 0.5000 0.4200 ( 6508 PWs) bands (ev): -4.1315 -4.1315 -4.1315 -4.1315 -4.0573 -4.0572 -4.0572 -4.0572 -0.4966 -0.4966 -0.4964 -0.4964 -0.3105 -0.3105 -0.3099 -0.3099 3.7246 3.7246 3.7336 3.7336 3.7423 3.7423 3.7464 3.7464 4.5435 4.5435 4.5611 4.5611 4.5625 4.5626 4.5670 4.5670 5.5685 5.5685 5.6357 5.6357 5.6620 5.6620 5.6859 5.6859 6.0210 6.0211 6.0676 6.0676 6.0736 6.0736 6.1751 6.1751 6.1964 6.1965 6.2508 6.2508 6.2978 6.2978 6.3401 6.3401 6.4705 6.4706 6.5128 6.5129 6.5251 6.5252 6.5253 6.5253 7.5516 7.5516 7.5744 7.5744 7.6102 7.6102 7.7759 7.7759 8.0478 8.0478 8.0566 8.0566 8.1731 8.1731 8.1736 8.1736 8.7753 8.7753 8.7883 8.7884 9.0484 9.0484 9.0592 9.0592 11.0480 11.0480 11.0985 11.0985 11.1881 11.1881 11.2950 11.2950 12.1043 12.1044 12.1834 12.1834 k = 0.5000 0.5000 0.4400 ( 6496 PWs) bands (ev): -4.1209 -4.1209 -4.1209 -4.1209 -4.0649 -4.0649 -4.0649 -4.0649 -0.4803 -0.4803 -0.4800 -0.4800 -0.3402 -0.3402 -0.3397 -0.3396 3.7238 3.7238 3.7340 3.7340 3.7402 3.7402 3.7437 3.7437 4.5491 4.5491 4.5673 4.5674 4.5686 4.5686 4.5715 4.5716 5.5791 5.5791 5.6497 5.6498 5.6726 5.6726 5.6930 5.6930 6.0214 6.0214 6.0545 6.0546 6.0648 6.0649 6.1787 6.1787 6.1923 6.1923 6.2508 6.2509 6.2868 6.2868 6.3201 6.3202 6.4699 6.4699 6.5178 6.5179 6.5255 6.5255 6.5262 6.5263 7.5927 7.5928 7.6124 7.6124 7.6406 7.6406 7.8347 7.8347 8.0462 8.0462 8.0728 8.0728 8.1829 8.1830 8.1880 8.1880 8.7434 8.7434 8.7545 8.7545 8.9743 8.9743 8.9826 8.9826 11.0614 11.0615 11.1028 11.1029 11.1714 11.1714 11.2793 11.2793 12.1053 12.1053 12.1811 12.1811 k = 0.5000 0.5000 0.4600 ( 6488 PWs) bands (ev): -4.1106 -4.1106 -4.1106 -4.1106 -4.0731 -4.0731 -4.0731 -4.0731 -0.4619 -0.4619 -0.4616 -0.4616 -0.3683 -0.3683 -0.3678 -0.3678 3.7232 3.7232 3.7348 3.7348 3.7386 3.7386 3.7413 3.7413 4.5533 4.5533 4.5721 4.5721 4.5730 4.5730 4.5747 4.5747 5.5878 5.5878 5.6634 5.6634 5.6801 5.6801 5.6953 5.6953 6.0236 6.0237 6.0443 6.0443 6.0550 6.0550 6.1811 6.1811 6.1885 6.1885 6.2547 6.2548 6.2786 6.2787 6.3017 6.3017 6.4699 6.4699 6.5220 6.5221 6.5262 6.5262 6.5273 6.5274 7.6249 7.6249 7.6399 7.6399 7.6592 7.6593 7.8797 7.8797 8.0554 8.0554 8.0978 8.0978 8.1819 8.1819 8.1925 8.1925 8.7331 8.7331 8.7418 8.7418 8.9032 8.9032 8.9096 8.9097 11.0770 11.0770 11.1077 11.1077 11.1527 11.1527 11.2650 11.2650 12.1064 12.1064 12.1808 12.1808 k = 0.5000 0.5000 0.4800 ( 6488 PWs) bands (ev): -4.1006 -4.1006 -4.1006 -4.1006 -4.0818 -4.0818 -4.0818 -4.0818 -0.4415 -0.4414 -0.4411 -0.4411 -0.3946 -0.3946 -0.3941 -0.3941 3.7229 3.7229 3.7359 3.7359 3.7377 3.7377 3.7391 3.7391 4.5558 4.5558 4.5751 4.5752 4.5757 4.5757 4.5764 4.5765 5.5936 5.5936 5.6758 5.6758 5.6845 5.6845 5.6928 5.6928 6.0284 6.0285 6.0379 6.0379 6.0449 6.0450 6.1817 6.1817 6.1861 6.1862 6.2620 6.2620 6.2739 6.2739 6.2856 6.2856 6.4701 6.4701 6.5251 6.5252 6.5268 6.5268 6.5277 6.5278 7.6480 7.6480 7.6564 7.6564 7.6660 7.6660 7.9055 7.9055 8.0754 8.0754 8.1285 8.1285 8.1695 8.1695 8.1824 8.1824 8.7472 8.7472 8.7541 8.7541 8.8385 8.8385 8.8437 8.8438 11.0944 11.0945 11.1117 11.1117 11.1330 11.1330 11.2549 11.2549 12.1072 12.1072 12.1821 12.1821 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -4.0910 -4.0910 -4.0910 -4.0910 -4.0910 -4.0910 -4.0910 -4.0910 -0.4190 -0.4190 -0.4190 -0.4190 -0.4190 -0.4190 -0.4182 -0.4182 3.7228 3.7228 3.7373 3.7373 3.7373 3.7373 3.7373 3.7373 4.5566 4.5566 4.5766 4.5766 4.5766 4.5766 4.5766 4.5766 5.5956 5.5956 5.6860 5.6860 5.6860 5.6860 5.6860 5.6860 6.0357 6.0357 6.0358 6.0358 6.0358 6.0358 6.1813 6.1813 6.1858 6.1858 6.2723 6.2723 6.2724 6.2724 6.2724 6.2724 6.4702 6.4702 6.5270 6.5270 6.5271 6.5271 6.5271 6.5271 7.6619 7.6619 7.6619 7.6619 7.6619 7.6619 7.9133 7.9133 8.0894 8.0894 8.1590 8.1590 8.1591 8.1591 8.1591 8.1591 8.7790 8.7790 8.7899 8.7899 8.7899 8.7899 8.7899 8.7899 11.1133 11.1133 11.1133 11.1133 11.1133 11.1133 11.2511 11.2511 12.1075 12.1075 12.1850 12.1850 Writing output data file SbPdSe.save init_run : 3.29s CPU 12.02s WALL ( 1 calls) electrons : 1476.57s CPU 1488.97s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.35s CPU 1.74s WALL ( 1 calls) Called by electrons: c_bands : 1476.53s CPU 1488.66s WALL ( 1 calls) v_of_rho : 0.09s CPU 1.07s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.08s CPU 0.65s WALL ( 1 calls) newd : 1.29s CPU 1.62s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.44s WALL ( 197 calls) cegterg : 1386.77s CPU 1396.08s WALL ( 432 calls) Called by sum_band: Called by *egterg: h_psi : 436.38s CPU 443.35s WALL ( 7476 calls) s_psi : 89.15s CPU 89.38s WALL ( 7476 calls) g_psi : 1.19s CPU 1.19s WALL ( 6847 calls) cdiaghg : 659.25s CPU 659.19s WALL ( 7044 calls) cegterg:over : 121.78s CPU 120.82s WALL ( 6847 calls) cegterg:upda : 41.64s CPU 42.59s WALL ( 6847 calls) cegterg:last : 33.49s CPU 33.73s WALL ( 1215 calls) Called by h_psi: h_psi:vloc : 268.57s CPU 273.05s WALL ( 7476 calls) h_psi:vnl : 167.11s CPU 169.18s WALL ( 7476 calls) add_vuspsi : 69.16s CPU 72.42s WALL ( 7476 calls) General routines calbec : 97.91s CPU 96.70s WALL ( 7476 calls) fft : 0.20s CPU 1.14s WALL ( 19 calls) ffts : 0.01s CPU 0.10s WALL ( 4 calls) fftw : 242.38s CPU 246.17s WALL ( 1388396 calls) interpolate : 0.04s CPU 0.15s WALL ( 4 calls) davcio : 0.03s CPU 2.52s WALL ( 394 calls) Parallel routines fft_scatter : 169.22s CPU 167.31s WALL ( 1388419 calls) PWSCF : 25m56.09s CPU 28m27.92s WALL This run was terminated on: 0:53:16 20Dec2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=