Program PWSCF v.5.1.1 starts on 29Dec2015 at 7:21:22 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) = 11.9506 a.u. unit-cell volume = 1706.7586 (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)= 11.950627 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 48.0 secs Computing kpt #: 2 total cpu time spent up to now is 54.7 secs Computing kpt #: 3 total cpu time spent up to now is 60.9 secs Computing kpt #: 4 total cpu time spent up to now is 67.4 secs Computing kpt #: 5 total cpu time spent up to now is 73.9 secs Computing kpt #: 6 total cpu time spent up to now is 80.7 secs Computing kpt #: 7 total cpu time spent up to now is 87.4 secs Computing kpt #: 8 total cpu time spent up to now is 94.1 secs Computing kpt #: 9 total cpu time spent up to now is 101.0 secs Computing kpt #: 10 total cpu time spent up to now is 108.9 secs Computing kpt #: 11 total cpu time spent up to now is 116.5 secs Computing kpt #: 12 total cpu time spent up to now is 124.3 secs Computing kpt #: 13 total cpu time spent up to now is 132.5 secs Computing kpt #: 14 total cpu time spent up to now is 141.6 secs Computing kpt #: 15 total cpu time spent up to now is 150.0 secs Computing kpt #: 16 total cpu time spent up to now is 158.2 secs Computing kpt #: 17 total cpu time spent up to now is 168.2 secs Computing kpt #: 18 total cpu time spent up to now is 178.8 secs Computing kpt #: 19 total cpu time spent up to now is 189.4 secs Computing kpt #: 20 total cpu time spent up to now is 197.4 secs Computing kpt #: 21 total cpu time spent up to now is 205.0 secs Computing kpt #: 22 total cpu time spent up to now is 212.7 secs Computing kpt #: 23 total cpu time spent up to now is 220.1 secs Computing kpt #: 24 total cpu time spent up to now is 227.3 secs Computing kpt #: 25 total cpu time spent up to now is 234.4 secs Computing kpt #: 26 total cpu time spent up to now is 241.6 secs Computing kpt #: 27 total cpu time spent up to now is 248.9 secs Computing kpt #: 28 total cpu time spent up to now is 256.1 secs Computing kpt #: 29 total cpu time spent up to now is 263.8 secs Computing kpt #: 30 total cpu time spent up to now is 271.8 secs Computing kpt #: 31 total cpu time spent up to now is 278.3 secs Computing kpt #: 32 total cpu time spent up to now is 284.7 secs Computing kpt #: 33 total cpu time spent up to now is 291.1 secs Computing kpt #: 34 total cpu time spent up to now is 297.5 secs Computing kpt #: 35 total cpu time spent up to now is 303.9 secs Computing kpt #: 36 total cpu time spent up to now is 310.2 secs Computing kpt #: 37 total cpu time spent up to now is 316.7 secs Computing kpt #: 38 total cpu time spent up to now is 323.1 secs Computing kpt #: 39 total cpu time spent up to now is 329.7 secs Computing kpt #: 40 total cpu time spent up to now is 336.2 secs Computing kpt #: 41 total cpu time spent up to now is 342.8 secs Computing kpt #: 42 total cpu time spent up to now is 349.4 secs Computing kpt #: 43 total cpu time spent up to now is 355.9 secs Computing kpt #: 44 total cpu time spent up to now is 362.7 secs Computing kpt #: 45 total cpu time spent up to now is 369.5 secs Computing kpt #: 46 total cpu time spent up to now is 376.9 secs Computing kpt #: 47 total cpu time spent up to now is 384.5 secs Computing kpt #: 48 total cpu time spent up to now is 392.3 secs Computing kpt #: 49 total cpu time spent up to now is 400.0 secs Computing kpt #: 50 total cpu time spent up to now is 407.4 secs Computing kpt #: 51 total cpu time spent up to now is 415.0 secs Computing kpt #: 52 total cpu time spent up to now is 422.3 secs Computing kpt #: 53 total cpu time spent up to now is 429.7 secs Computing kpt #: 54 total cpu time spent up to now is 437.5 secs Computing kpt #: 55 total cpu time spent up to now is 445.4 secs Computing kpt #: 56 total cpu time spent up to now is 453.1 secs Computing kpt #: 57 total cpu time spent up to now is 461.0 secs Computing kpt #: 58 total cpu time spent up to now is 468.7 secs Computing kpt #: 59 total cpu time spent up to now is 476.7 secs Computing kpt #: 60 total cpu time spent up to now is 484.2 secs Computing kpt #: 61 total cpu time spent up to now is 491.8 secs Computing kpt #: 62 total cpu time spent up to now is 499.5 secs Computing kpt #: 63 total cpu time spent up to now is 506.4 secs Computing kpt #: 64 total cpu time spent up to now is 513.3 secs Computing kpt #: 65 total cpu time spent up to now is 520.2 secs Computing kpt #: 66 total cpu time spent up to now is 527.0 secs Computing kpt #: 67 total cpu time spent up to now is 534.2 secs Computing kpt #: 68 total cpu time spent up to now is 542.5 secs Computing kpt #: 69 total cpu time spent up to now is 550.3 secs Computing kpt #: 70 total cpu time spent up to now is 559.6 secs Computing kpt #: 71 total cpu time spent up to now is 571.1 secs Computing kpt #: 72 total cpu time spent up to now is 581.6 secs Computing kpt #: 73 total cpu time spent up to now is 590.1 secs Computing kpt #: 74 total cpu time spent up to now is 598.4 secs Computing kpt #: 75 total cpu time spent up to now is 606.1 secs Computing kpt #: 76 total cpu time spent up to now is 613.3 secs Computing kpt #: 77 total cpu time spent up to now is 620.2 secs Computing kpt #: 78 total cpu time spent up to now is 627.0 secs Computing kpt #: 79 total cpu time spent up to now is 633.6 secs Computing kpt #: 80 total cpu time spent up to now is 640.4 secs Computing kpt #: 81 total cpu time spent up to now is 647.2 secs Computing kpt #: 82 total cpu time spent up to now is 653.9 secs Computing kpt #: 83 total cpu time spent up to now is 660.6 secs Computing kpt #: 84 total cpu time spent up to now is 667.4 secs Computing kpt #: 85 total cpu time spent up to now is 673.6 secs Computing kpt #: 86 total cpu time spent up to now is 680.2 secs Computing kpt #: 87 total cpu time spent up to now is 686.3 secs Computing kpt #: 88 total cpu time spent up to now is 693.0 secs Computing kpt #: 89 total cpu time spent up to now is 699.3 secs Computing kpt #: 90 total cpu time spent up to now is 705.8 secs Computing kpt #: 91 total cpu time spent up to now is 712.1 secs Computing kpt #: 92 total cpu time spent up to now is 718.9 secs Computing kpt #: 93 total cpu time spent up to now is 725.5 secs Computing kpt #: 94 total cpu time spent up to now is 732.3 secs Computing kpt #: 95 total cpu time spent up to now is 739.2 secs Computing kpt #: 96 total cpu time spent up to now is 746.1 secs Computing kpt #: 97 total cpu time spent up to now is 752.9 secs Computing kpt #: 98 total cpu time spent up to now is 759.7 secs Computing kpt #: 99 total cpu time spent up to now is 766.5 secs Computing kpt #: 100 total cpu time spent up to now is 773.3 secs Computing kpt #: 101 total cpu time spent up to now is 780.1 secs Computing kpt #: 102 total cpu time spent up to now is 787.0 secs Computing kpt #: 103 total cpu time spent up to now is 793.8 secs Computing kpt #: 104 total cpu time spent up to now is 800.6 secs Computing kpt #: 105 total cpu time spent up to now is 807.4 secs Computing kpt #: 106 total cpu time spent up to now is 814.0 secs Computing kpt #: 107 total cpu time spent up to now is 820.9 secs Computing kpt #: 108 total cpu time spent up to now is 827.5 secs Computing kpt #: 109 total cpu time spent up to now is 834.0 secs Computing kpt #: 110 total cpu time spent up to now is 840.6 secs Computing kpt #: 111 total cpu time spent up to now is 847.1 secs Computing kpt #: 112 total cpu time spent up to now is 853.7 secs Computing kpt #: 113 total cpu time spent up to now is 860.1 secs Computing kpt #: 114 total cpu time spent up to now is 867.0 secs Computing kpt #: 115 total cpu time spent up to now is 873.6 secs Computing kpt #: 116 total cpu time spent up to now is 880.1 secs Computing kpt #: 117 total cpu time spent up to now is 887.3 secs Computing kpt #: 118 total cpu time spent up to now is 894.7 secs Computing kpt #: 119 total cpu time spent up to now is 902.0 secs Computing kpt #: 120 total cpu time spent up to now is 909.5 secs Computing kpt #: 121 total cpu time spent up to now is 917.2 secs Computing kpt #: 122 total cpu time spent up to now is 925.4 secs Computing kpt #: 123 total cpu time spent up to now is 933.3 secs Computing kpt #: 124 total cpu time spent up to now is 941.3 secs Computing kpt #: 125 total cpu time spent up to now is 949.2 secs Computing kpt #: 126 total cpu time spent up to now is 957.6 secs Computing kpt #: 127 total cpu time spent up to now is 966.3 secs Computing kpt #: 128 total cpu time spent up to now is 975.1 secs Computing kpt #: 129 total cpu time spent up to now is 983.9 secs Computing kpt #: 130 total cpu time spent up to now is 992.8 secs Computing kpt #: 131 total cpu time spent up to now is 1001.6 secs Computing kpt #: 132 total cpu time spent up to now is 1010.9 secs Computing kpt #: 133 total cpu time spent up to now is 1020.1 secs Computing kpt #: 134 total cpu time spent up to now is 1030.8 secs Computing kpt #: 135 total cpu time spent up to now is 1039.7 secs Computing kpt #: 136 total cpu time spent up to now is 1048.5 secs Computing kpt #: 137 total cpu time spent up to now is 1057.1 secs Computing kpt #: 138 total cpu time spent up to now is 1065.8 secs Computing kpt #: 139 total cpu time spent up to now is 1074.1 secs Computing kpt #: 140 total cpu time spent up to now is 1082.5 secs Computing kpt #: 141 total cpu time spent up to now is 1090.4 secs Computing kpt #: 142 total cpu time spent up to now is 1098.2 secs Computing kpt #: 143 total cpu time spent up to now is 1105.9 secs Computing kpt #: 144 total cpu time spent up to now is 1113.6 secs Computing kpt #: 145 total cpu time spent up to now is 1121.2 secs Computing kpt #: 146 total cpu time spent up to now is 1128.8 secs Computing kpt #: 147 total cpu time spent up to now is 1136.3 secs Computing kpt #: 148 total cpu time spent up to now is 1143.7 secs Computing kpt #: 149 total cpu time spent up to now is 1151.1 secs Computing kpt #: 150 total cpu time spent up to now is 1158.5 secs Computing kpt #: 151 total cpu time spent up to now is 1166.1 secs Computing kpt #: 152 total cpu time spent up to now is 1175.4 secs Computing kpt #: 153 total cpu time spent up to now is 1182.7 secs Computing kpt #: 154 total cpu time spent up to now is 1190.1 secs Computing kpt #: 155 total cpu time spent up to now is 1197.7 secs Computing kpt #: 156 total cpu time spent up to now is 1205.4 secs Computing kpt #: 157 total cpu time spent up to now is 1212.9 secs Computing kpt #: 158 total cpu time spent up to now is 1220.3 secs Computing kpt #: 159 total cpu time spent up to now is 1228.3 secs Computing kpt #: 160 total cpu time spent up to now is 1235.9 secs Computing kpt #: 161 total cpu time spent up to now is 1243.4 secs Computing kpt #: 162 total cpu time spent up to now is 1250.8 secs Computing kpt #: 163 total cpu time spent up to now is 1258.2 secs Computing kpt #: 164 total cpu time spent up to now is 1265.5 secs Computing kpt #: 165 total cpu time spent up to now is 1272.7 secs Computing kpt #: 166 total cpu time spent up to now is 1280.1 secs Computing kpt #: 167 total cpu time spent up to now is 1287.4 secs Computing kpt #: 168 total cpu time spent up to now is 1294.8 secs Computing kpt #: 169 total cpu time spent up to now is 1302.0 secs Computing kpt #: 170 total cpu time spent up to now is 1309.2 secs Computing kpt #: 171 total cpu time spent up to now is 1316.5 secs Computing kpt #: 172 total cpu time spent up to now is 1323.9 secs Computing kpt #: 173 total cpu time spent up to now is 1331.4 secs Computing kpt #: 174 total cpu time spent up to now is 1339.1 secs Computing kpt #: 175 total cpu time spent up to now is 1346.8 secs Computing kpt #: 176 total cpu time spent up to now is 1354.7 secs Computing kpt #: 177 total cpu time spent up to now is 1362.4 secs Computing kpt #: 178 total cpu time spent up to now is 1370.3 secs Computing kpt #: 179 total cpu time spent up to now is 1378.2 secs Computing kpt #: 180 total cpu time spent up to now is 1386.0 secs Computing kpt #: 181 total cpu time spent up to now is 1393.9 secs Computing kpt #: 182 total cpu time spent up to now is 1401.8 secs Computing kpt #: 183 total cpu time spent up to now is 1410.2 secs Computing kpt #: 184 total cpu time spent up to now is 1418.7 secs Computing kpt #: 185 total cpu time spent up to now is 1427.1 secs Computing kpt #: 186 total cpu time spent up to now is 1435.6 secs Computing kpt #: 187 total cpu time spent up to now is 1444.1 secs Computing kpt #: 188 total cpu time spent up to now is 1452.5 secs Computing kpt #: 189 total cpu time spent up to now is 1461.0 secs Computing kpt #: 190 total cpu time spent up to now is 1470.4 secs Computing kpt #: 191 total cpu time spent up to now is 1479.1 secs Computing kpt #: 192 total cpu time spent up to now is 1487.8 secs Computing kpt #: 193 total cpu time spent up to now is 1496.6 secs Computing kpt #: 194 total cpu time spent up to now is 1505.3 secs Computing kpt #: 195 total cpu time spent up to now is 1514.0 secs Computing kpt #: 196 total cpu time spent up to now is 1522.9 secs Computing kpt #: 197 total cpu time spent up to now is 1533.3 secs ethr = 1.19E-11, avg # of iterations = 34.9 total cpu time spent up to now is 1533.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6451 PWs) bands (ev): -4.9500 -4.9500 -3.9374 -3.9374 -3.9371 -3.9371 -3.9371 -3.9371 0.0104 0.0104 0.0211 0.0211 0.0211 0.0211 0.3824 0.3824 3.6982 3.6982 3.6982 3.6982 3.7094 3.7094 4.5593 4.5593 4.5710 4.5710 4.5710 4.5710 4.8244 4.8244 4.8244 4.8244 4.8993 4.8993 4.9888 4.9888 4.9888 4.9888 5.4741 5.4741 5.6470 5.6470 5.6471 5.6471 5.8809 5.8809 5.8809 5.8809 6.0791 6.0791 6.1581 6.1581 6.2228 6.2228 6.2229 6.2229 6.2710 6.2710 6.2711 6.2711 6.4599 6.4599 6.4599 6.4599 6.4954 6.4954 6.8043 6.8043 6.9606 6.9606 6.9729 6.9729 6.9730 6.9730 7.9300 7.9300 8.1325 8.1325 8.1325 8.1325 8.7970 8.7970 8.7970 8.7970 8.8535 8.8535 10.4875 10.4875 11.5456 11.5456 11.5456 11.5456 11.6514 11.6514 12.5134 12.5134 12.6474 12.6474 12.6474 12.6474 k = 0.0000 0.0200-0.0000 ( 6503 PWs) bands (ev): -4.9492 -4.9492 -3.9475 -3.9474 -3.9371 -3.9369 -3.9279 -3.9276 -0.0157 -0.0079 0.0172 0.0185 0.0431 0.0495 0.3803 0.3810 3.6981 3.6987 3.6989 3.7012 3.7097 3.7113 4.5563 4.5614 4.5689 4.5702 4.5733 4.5736 4.8135 4.8226 4.8249 4.8271 4.8821 4.9085 4.9650 4.9873 4.9882 5.0003 5.4707 5.4847 5.6304 5.6390 5.6609 5.6704 5.8624 5.8814 5.8832 5.8866 6.0777 6.0830 6.1577 6.1618 6.2160 6.2166 6.2309 6.2316 6.2674 6.2711 6.2753 6.2808 6.4563 6.4592 6.4605 6.4649 6.4958 6.4958 6.7976 6.8057 6.9483 6.9574 6.9697 6.9747 6.9795 6.9886 7.9306 7.9318 8.1286 8.1320 8.1347 8.1364 8.7828 8.7901 8.8049 8.8157 8.8470 8.8663 10.4877 10.4893 11.5356 11.5418 11.5517 11.5547 11.6457 11.6586 12.5075 12.5096 12.6300 12.6388 12.6469 12.6480 k = 0.0000 0.0400-0.0000 ( 6535 PWs) bands (ev): -4.9465 -4.9465 -3.9586 -3.9585 -3.9365 -3.9361 -3.9193 -3.9189 -0.0445 -0.0371 0.0187 0.0188 0.0700 0.0772 0.3749 0.3763 3.6998 3.7004 3.7014 3.7068 3.7126 3.7162 4.5529 4.5623 4.5676 4.5708 4.5767 4.5770 4.7964 4.8166 4.8223 4.8247 4.8528 4.9099 4.9329 4.9832 4.9838 5.0067 5.4758 5.4923 5.6109 5.6504 5.6764 5.7054 5.8302 5.8703 5.8903 5.8976 6.0785 6.0891 6.1597 6.1660 6.2107 6.2129 6.2366 6.2403 6.2687 6.2750 6.2893 6.2976 6.4542 6.4586 6.4611 6.4713 6.4975 6.4977 6.7861 6.8024 6.9348 6.9423 6.9790 6.9835 6.9916 7.0049 7.9329 7.9349 8.1211 8.1278 8.1431 8.1464 8.7732 8.7849 8.8144 8.8387 8.8474 8.8856 10.4902 10.4934 11.5247 11.5396 11.5604 11.5627 11.6417 11.6668 12.4904 12.4915 12.5943 12.6076 12.6460 12.6483 k = 0.0000 0.0600-0.0000 ( 6527 PWs) bands (ev): -4.9422 -4.9421 -3.9706 -3.9706 -3.9354 -3.9350 -3.9114 -3.9108 -0.0736 -0.0665 0.0197 0.0207 0.0964 0.1040 0.3661 0.3683 3.7024 3.7031 3.7054 3.7126 3.7205 3.7246 4.5498 4.5621 4.5677 4.5725 4.5801 4.5820 4.7750 4.8019 4.8115 4.8118 4.8241 4.8782 4.9266 4.9723 4.9796 5.0139 5.4802 5.4878 5.5956 5.6801 5.6993 5.7480 5.7895 5.8504 5.9041 5.9118 6.0809 6.0966 6.1622 6.1681 6.2062 6.2108 6.2384 6.2458 6.2722 6.2838 6.3156 6.3212 6.4529 6.4585 6.4617 6.4779 6.5017 6.5025 6.7709 6.7952 6.9208 6.9275 6.9930 6.9988 7.0060 7.0220 7.9344 7.9372 8.1102 8.1195 8.1591 8.1636 8.7680 8.7818 8.8259 8.8504 8.8694 8.9110 10.4949 10.4995 11.5127 11.5381 11.5695 11.5715 11.6399 11.6759 12.4454 12.4543 12.5584 12.5653 12.6450 12.6482 k = 0.0000 0.0800-0.0000 ( 6519 PWs) bands (ev): -4.9361 -4.9360 -3.9836 -3.9836 -3.9340 -3.9333 -3.9041 -3.9034 -0.1027 -0.0957 0.0212 0.0229 0.1217 0.1296 0.3543 0.3573 3.7056 3.7066 3.7103 3.7179 3.7331 3.7366 4.5474 4.5610 4.5684 4.5756 4.5839 4.5881 4.7497 4.7637 4.7788 4.7810 4.8231 4.8498 4.9273 4.9579 4.9773 5.0220 5.4685 5.4712 5.5970 5.7143 5.7358 5.7465 5.7888 5.8341 5.9220 5.9281 6.0836 6.1039 6.1640 6.1679 6.2020 6.2092 6.2391 6.2481 6.2769 6.2966 6.3477 6.3488 6.4521 6.4593 6.4621 6.4834 6.5087 6.5131 6.7533 6.7852 6.9067 6.9132 7.0122 7.0207 7.0227 7.0404 7.9327 7.9364 8.0964 8.1073 8.1834 8.1887 8.7666 8.7813 8.8400 8.8605 8.9031 8.9420 10.5018 10.5079 11.4996 11.5363 11.5746 11.5848 11.6405 11.6855 12.3659 12.3902 12.5268 12.5329 12.6436 12.6478 k = 0.0000 0.1000-0.0000 ( 6515 PWs) bands (ev): -4.9283 -4.9282 -3.9977 -3.9976 -3.9321 -3.9313 -3.8974 -3.8966 -0.1313 -0.1245 0.0228 0.0254 0.1457 0.1541 0.3398 0.3437 3.7090 3.7104 3.7161 3.7237 3.7485 3.7514 4.5460 4.5585 4.5689 4.5799 4.5875 4.5954 4.7088 4.7244 4.7267 4.7552 4.8218 4.8402 4.9236 4.9425 4.9789 5.0298 5.4377 5.4466 5.6149 5.6991 5.7475 5.7867 5.7907 5.8588 5.9431 5.9462 6.0848 6.1091 6.1654 6.1660 6.1980 6.2077 6.2402 6.2485 6.2836 6.3123 6.3761 6.3794 6.4518 6.4620 6.4625 6.4889 6.5189 6.5294 6.7351 6.7740 6.8932 6.8996 7.0340 7.0451 7.0481 7.0609 7.9262 7.9314 8.0803 8.0914 8.2150 8.2210 8.7689 8.7834 8.8574 8.8752 8.9419 8.9785 10.5110 10.5184 11.4853 11.5330 11.5773 11.5992 11.6433 11.6950 12.2653 12.3028 12.4938 12.5106 12.6417 12.6469 k = 0.0000 0.1200-0.0000 ( 6503 PWs) bands (ev): -4.9188 -4.9187 -4.0129 -4.0127 -3.9298 -3.9289 -3.8912 -3.8904 -0.1593 -0.1525 0.0244 0.0280 0.1683 0.1772 0.3231 0.3280 3.7121 3.7141 3.7228 3.7305 3.7654 3.7679 4.5455 4.5488 4.5691 4.5854 4.5884 4.6038 4.6647 4.6659 4.6989 4.7274 4.8204 4.8370 4.9166 4.9275 4.9834 5.0360 5.3965 5.4169 5.6365 5.6557 5.7762 5.7814 5.8353 5.9021 5.9670 5.9678 6.0828 6.1104 6.1636 6.1672 6.1943 6.2062 6.2421 6.2477 6.2931 6.3296 6.3987 6.4070 6.4527 6.4614 6.4710 6.4970 6.5319 6.5505 6.7180 6.7630 6.8808 6.8872 7.0548 7.0761 7.0774 7.0886 7.9148 7.9225 8.0622 8.0720 8.2518 8.2587 8.7744 8.7884 8.8786 8.8949 8.9856 9.0201 10.5225 10.5312 11.4694 11.5275 11.5759 11.6136 11.6474 11.7035 12.1550 12.2045 12.4608 12.4858 12.6389 12.6455 k = 0.0000 0.1400-0.0000 ( 6499 PWs) bands (ev): -4.9076 -4.9075 -4.0291 -4.0289 -3.9272 -3.9261 -3.8856 -3.8846 -0.1864 -0.1797 0.0255 0.0302 0.1894 0.1988 0.3048 0.3108 3.7144 3.7171 3.7303 3.7382 3.7828 3.7852 4.5198 4.5412 4.5705 4.5735 4.5920 4.6106 4.6276 4.6411 4.6735 4.7000 4.8189 4.8360 4.9086 4.9141 4.9888 5.0399 5.3509 5.3842 5.6156 5.6497 5.7714 5.8137 5.8781 5.9391 5.9921 5.9974 6.0761 6.1064 6.1619 6.1704 6.1911 6.2051 6.2439 6.2462 6.3058 6.3478 6.4130 6.4291 6.4559 6.4605 6.4875 6.5089 6.5468 6.5748 6.7038 6.7536 6.8702 6.8765 7.0764 7.1005 7.1174 7.1270 7.8988 7.9105 8.0427 8.0495 8.2911 8.2993 8.7829 8.7961 8.9038 8.9197 9.0340 9.0666 10.5361 10.5460 11.4515 11.5192 11.5669 11.6249 11.6520 11.7087 12.0450 12.1060 12.4252 12.4557 12.6349 12.6435 k = 0.0000 0.1600-0.0000 ( 6499 PWs) bands (ev): -4.8948 -4.8947 -4.0465 -4.0462 -3.9242 -3.9230 -3.8804 -3.8793 -0.2123 -0.2056 0.0257 0.0317 0.2087 0.2190 0.2860 0.2929 3.7154 3.7188 3.7385 3.7467 3.7995 3.8022 4.4726 4.5033 4.5616 4.5710 4.5970 4.6085 4.6210 4.6408 4.6588 4.6788 4.8178 4.8363 4.9013 4.9028 4.9935 5.0407 5.3036 5.3499 5.5803 5.6488 5.7809 5.8410 5.9129 5.9656 6.0215 6.0300 6.0641 6.0968 6.1625 6.1758 6.1885 6.2057 6.2440 6.2455 6.3210 6.3660 6.4189 6.4474 6.4599 6.4636 6.5108 6.5238 6.5626 6.5996 6.6945 6.7469 6.8622 6.8684 7.0997 7.1253 7.1633 7.1712 7.8790 7.8963 8.0222 8.0241 8.3303 8.3402 8.7944 8.8066 8.9336 8.9498 9.0870 9.1180 10.5517 10.5628 11.4309 11.5071 11.5446 11.6255 11.6567 11.7075 11.9500 12.0175 12.3870 12.4193 12.6293 12.6408 k = 0.0000 0.1800-0.0000 ( 6495 PWs) bands (ev): -4.8804 -4.8803 -4.0651 -4.0647 -3.9209 -3.9196 -3.8757 -3.8745 -0.2367 -0.2300 0.0242 0.0318 0.2255 0.2375 0.2680 0.2753 3.7150 3.7190 3.7471 3.7558 3.8146 3.8178 4.4186 4.4455 4.5608 4.5616 4.5932 4.6017 4.6231 4.6453 4.6680 4.6747 4.8178 4.8382 4.8941 4.8957 4.9970 5.0378 5.2563 5.3153 5.5505 5.6383 5.7985 5.8605 5.9406 5.9831 6.0468 6.0527 6.0596 6.0826 6.1667 6.1832 6.1875 6.2098 6.2414 6.2468 6.3372 6.3833 6.4197 6.4602 6.4649 6.4765 6.5369 6.5406 6.5792 6.6200 6.6943 6.7439 6.8579 6.8641 7.1248 7.1516 7.2137 7.2191 7.8559 7.8807 7.9962 8.0013 8.3670 8.3790 8.8087 8.8200 8.9679 8.9853 9.1447 9.1742 10.5688 10.5812 11.4058 11.4837 11.5091 11.5954 11.6624 11.7041 11.8892 11.9467 12.3478 12.3766 12.6214 12.6371 k = 0.0000 0.2000-0.0000 ( 6523 PWs) bands (ev): -4.8645 -4.8644 -4.0847 -4.0844 -3.9174 -3.9159 -3.8715 -3.8702 -0.2595 -0.2527 0.0202 0.0295 0.2352 0.2543 0.2567 0.2591 3.7129 3.7173 3.7556 3.7652 3.8273 3.8314 4.3647 4.3879 4.5357 4.5457 4.5887 4.6036 4.6312 4.6522 4.6879 4.6905 4.8198 4.8422 4.8885 4.8926 4.9987 5.0311 5.2102 5.2812 5.5267 5.6248 5.8171 5.8712 5.9620 5.9923 6.0259 6.0632 6.0811 6.0832 6.1737 6.1856 6.1956 6.2187 6.2386 6.2491 6.3522 6.3980 6.4189 6.4620 6.4836 6.4934 6.5579 6.5622 6.5969 6.6310 6.7070 6.7456 6.8587 6.8647 7.1513 7.1790 7.2673 7.2691 7.8300 7.8642 7.9665 7.9806 8.3992 8.4136 8.8257 8.8361 9.0068 9.0257 9.2070 9.2351 10.5868 10.6005 11.3717 11.4233 11.4849 11.5286 11.6698 11.7076 11.8651 11.8948 12.3105 12.3291 12.6104 12.6324 k = 0.0000 0.2200-0.0000 ( 6507 PWs) bands (ev): -4.8471 -4.8470 -4.1056 -4.1052 -3.9136 -3.9119 -3.8677 -3.8663 -0.2803 -0.2735 0.0129 0.0237 0.2281 0.2454 0.2633 0.2696 3.7091 3.7139 3.7638 3.7744 3.8372 3.8426 4.3140 4.3343 4.5018 4.5139 4.5939 4.6106 4.6408 4.6594 4.7107 4.7187 4.8253 4.8494 4.8874 4.8933 4.9983 5.0209 5.1666 5.2484 5.5093 5.6117 5.8328 5.8739 5.9767 5.9924 6.0025 6.0428 6.0958 6.1074 6.1820 6.1876 6.2089 6.2292 6.2362 6.2560 6.3644 6.4044 6.4235 6.4650 6.5053 6.5128 6.5745 6.5838 6.6168 6.6361 6.7294 6.7534 6.8664 6.8718 7.1788 7.2069 7.3202 7.3225 7.8016 7.8469 7.9360 7.9608 8.4252 8.4423 8.8455 8.8553 9.0499 9.0708 9.2738 9.3006 10.6049 10.6196 11.3192 11.3406 11.4570 11.4645 11.6790 11.7154 11.8544 11.8591 12.2787 12.2798 12.5953 12.6265 k = 0.0000 0.2400-0.0000 ( 6495 PWs) bands (ev): -4.8282 -4.8281 -4.1276 -4.1272 -3.9096 -3.9078 -3.8643 -3.8628 -0.2990 -0.2921 0.0016 0.0136 0.2182 0.2353 0.2749 0.2831 3.7036 3.7087 3.7707 3.7827 3.8440 3.8509 4.2685 4.2866 4.4647 4.4761 4.6018 4.6191 4.6484 4.6636 4.7381 4.7494 4.8357 4.8608 4.8931 4.8998 4.9956 5.0080 5.1268 5.2175 5.4982 5.6006 5.8443 5.8700 5.9746 5.9834 5.9865 6.0210 6.1062 6.1259 6.1914 6.1926 6.2220 6.2342 6.2358 6.2705 6.3731 6.4016 6.4346 6.4684 6.5293 6.5327 6.5884 6.5998 6.6397 6.6432 6.7555 6.7683 6.8824 6.8862 7.2063 7.2341 7.3712 7.3782 7.7709 7.8277 7.9065 7.9428 8.4436 8.4634 8.8681 8.8774 9.0967 9.1196 9.3450 9.3705 10.6216 10.6369 11.2430 11.2514 11.4043 11.4419 11.6894 11.7237 11.8170 11.8565 12.2326 12.2553 12.5744 12.6193 k = 0.0000 0.2600-0.0000 ( 6495 PWs) bands (ev): -4.8080 -4.8079 -4.1506 -4.1502 -3.9054 -3.9035 -3.8614 -3.8597 -0.3154 -0.3084 -0.0140 -0.0013 0.2118 0.2292 0.2857 0.2948 3.6968 3.7021 3.7757 3.7891 3.8481 3.8568 4.2300 4.2464 4.4259 4.4360 4.6101 4.6276 4.6520 4.6626 4.7652 4.7782 4.8516 4.8766 4.9091 4.9155 4.9902 4.9939 5.0923 5.1889 5.4929 5.5921 5.8512 5.8604 5.9477 5.9710 5.9791 6.0016 6.1139 6.1387 6.2009 6.2023 6.2268 6.2354 6.2438 6.2872 6.3786 6.3963 6.4454 6.4714 6.5509 6.5530 6.5980 6.6105 6.6578 6.6653 6.7832 6.7904 6.9069 6.9086 7.2330 7.2597 7.4213 7.4330 7.7379 7.8043 7.8814 7.9272 8.4530 8.4756 8.8936 8.9024 9.1465 9.1711 9.4205 9.4447 10.6352 10.6496 11.1580 11.1650 11.3661 11.4166 11.6998 11.7313 11.7788 11.8495 12.1916 12.2413 12.5465 12.6108 k = 0.0000 0.2800-0.0000 ( 6499 PWs) bands (ev): -4.7865 -4.7863 -4.1748 -4.1743 -3.9011 -3.8992 -3.8588 -3.8570 -0.3293 -0.3223 -0.0336 -0.0207 0.2097 0.2271 0.2950 0.3048 3.6889 3.6942 3.7775 3.7922 3.8505 3.8608 4.1998 4.2150 4.3861 4.3947 4.6173 4.6326 4.6511 4.6591 4.7870 4.7993 4.8739 4.8953 4.9366 4.9438 4.9809 4.9822 5.0661 5.1637 5.4927 5.5865 5.8463 5.8537 5.9200 5.9501 5.9604 5.9893 6.1200 6.1476 6.2110 6.2139 6.2266 6.2355 6.2561 6.3018 6.3817 6.3904 6.4539 6.4732 6.5663 6.5718 6.6055 6.6169 6.6814 6.6939 6.8132 6.8187 6.9387 6.9389 7.2580 7.2826 7.4700 7.4862 7.7028 7.7742 7.8636 7.9149 8.4524 8.4777 8.9220 8.9305 9.1981 9.2238 9.4999 9.5226 10.6437 10.6541 11.0802 11.0874 11.3333 11.3884 11.7031 11.7375 11.7463 11.8352 12.1592 12.2352 12.5110 12.6009 k = 0.0000 0.3000-0.0000 ( 6491 PWs) bands (ev): -4.7637 -4.7635 -4.1999 -4.1995 -3.8968 -3.8947 -3.8567 -3.8548 -0.3406 -0.3335 -0.0563 -0.0437 0.2112 0.2284 0.3028 0.3131 3.6802 3.6856 3.7749 3.7900 3.8531 3.8641 4.1789 4.1932 4.3459 4.3531 4.6197 4.6253 4.6490 4.6624 4.8016 4.8114 4.9000 4.9124 4.9616 4.9729 4.9826 4.9841 5.0525 5.1451 5.4968 5.5837 5.8282 5.8521 5.8920 5.9247 5.9348 5.9778 6.1252 6.1543 6.2186 6.2238 6.2292 6.2372 6.2671 6.3129 6.3834 6.3848 6.4595 6.4734 6.5782 6.5829 6.6135 6.6202 6.7132 6.7261 6.8464 6.8508 6.9757 6.9767 7.2809 7.3023 7.5167 7.5370 7.6657 7.7379 7.8534 7.9061 8.4410 8.4686 8.9535 8.9616 9.2504 9.2762 9.5828 9.6039 10.6453 10.6462 11.0190 11.0227 11.3024 11.3575 11.6784 11.7421 11.7431 11.8148 12.1351 12.2334 12.4690 12.5888 k = 0.0000 0.3200-0.0000 ( 6507 PWs) bands (ev): -4.7397 -4.7396 -4.2260 -4.2255 -3.8924 -3.8903 -3.8551 -3.8531 -0.3492 -0.3420 -0.0813 -0.0692 0.2157 0.2324 0.3088 0.3196 3.6713 3.6766 3.7673 3.7816 3.8575 3.8679 4.1675 4.1811 4.3056 4.3116 4.6068 4.6111 4.6523 4.6725 4.8104 4.8179 4.9169 4.9182 4.9661 4.9677 5.0151 5.0288 5.0613 5.1407 5.5044 5.5836 5.8065 5.8467 5.8636 5.8961 5.9070 5.9637 6.1300 6.1599 6.2192 6.2271 6.2384 6.2448 6.2757 6.3206 6.3798 6.3843 6.4622 6.4720 6.5868 6.5885 6.6204 6.6213 6.7509 6.7621 6.8824 6.8844 7.0176 7.0182 7.3018 7.3191 7.5605 7.5845 7.6272 7.6976 7.8488 7.9010 8.4182 8.4480 8.9880 8.9958 9.3016 9.3263 9.6687 9.6877 10.6244 10.6395 10.9723 10.9775 11.2723 11.3242 11.6429 11.7448 11.7557 11.7923 12.1160 12.2318 12.4218 12.5712 k = 0.0000 0.3400-0.0000 ( 6507 PWs) bands (ev): -4.7147 -4.7146 -4.2529 -4.2525 -3.8881 -3.8859 -3.8538 -3.8517 -0.3550 -0.3477 -0.1077 -0.0962 0.2223 0.2385 0.3132 0.3243 3.6625 3.6678 3.7550 3.7678 3.8641 3.8731 4.1649 4.1781 4.2658 4.2707 4.5824 4.5927 4.6607 4.6852 4.8155 4.8222 4.9105 4.9155 4.9609 4.9789 5.0467 5.0651 5.1040 5.1616 5.5147 5.5860 5.7814 5.8330 5.8386 5.8667 5.8785 5.9472 6.1349 6.1650 6.2178 6.2259 6.2490 6.2557 6.2820 6.3253 6.3759 6.3849 6.4624 6.4691 6.5922 6.5929 6.6211 6.6251 6.7925 6.8013 6.9177 6.9201 7.0614 7.0618 7.3219 7.3346 7.5863 7.5974 7.6297 7.6588 7.8479 7.8994 8.3840 8.4158 9.0257 9.0330 9.3497 9.3718 9.7567 9.7731 10.5922 10.6276 10.9348 10.9530 11.2430 11.2889 11.6127 11.7450 11.7713 11.7731 12.0984 12.2254 12.3716 12.5399 k = 0.0000 0.3600-0.0000 ( 6495 PWs) bands (ev): -4.6887 -4.6885 -4.2806 -4.2802 -3.8839 -3.8815 -3.8530 -3.8509 -0.3579 -0.3505 -0.1347 -0.1237 0.2303 0.2460 0.3159 0.3274 3.6542 3.6594 3.7394 3.7505 3.8728 3.8803 4.1698 4.1823 4.2269 4.2315 4.5546 4.5686 4.6711 4.6993 4.8180 4.8255 4.8982 4.9073 4.9535 4.9764 5.0838 5.1036 5.1616 5.2051 5.5268 5.5903 5.7526 5.8010 5.8232 5.8411 5.8502 5.9286 6.1400 6.1696 6.2160 6.2234 6.2590 6.2665 6.2864 6.3275 6.3734 6.3857 6.4604 6.4649 6.5954 6.5972 6.6200 6.6275 6.8362 6.8430 6.9498 6.9584 7.1026 7.1038 7.3434 7.3523 7.5465 7.5924 7.6570 7.6698 7.8490 7.9005 8.3390 8.3726 9.0665 9.0731 9.3923 9.4106 9.8459 9.8588 10.5559 10.6123 10.9079 10.9394 11.2145 11.2520 11.5921 11.7418 11.7616 11.7880 12.0795 12.2086 12.3219 12.4895 k = 0.0000 0.3800-0.0000 ( 6511 PWs) bands (ev): -4.6618 -4.6616 -4.3090 -4.3086 -3.8797 -3.8773 -3.8527 -3.8504 -0.3580 -0.3505 -0.1618 -0.1513 0.2392 0.2545 0.3170 0.3288 3.6469 3.6521 3.7221 3.7318 3.8833 3.8896 4.1772 4.1823 4.1929 4.2041 4.5243 4.5407 4.6826 4.7145 4.8179 4.8288 4.8867 4.8980 4.9441 4.9612 5.1291 5.1477 5.2217 5.2586 5.5400 5.5958 5.7197 5.7641 5.8011 5.8231 5.8233 5.9083 6.1455 6.1739 6.2139 6.2200 6.2678 6.2764 6.2891 6.3278 6.3726 6.3870 6.4563 6.4597 6.5984 6.6002 6.6185 6.6282 6.8809 6.8867 6.9801 6.9966 7.1365 7.1386 7.3675 7.3771 7.5098 7.5491 7.6889 7.7057 7.8508 7.9035 8.2842 8.3196 9.1100 9.1159 9.4268 9.4403 9.9351 9.9433 10.5207 10.5953 10.8897 10.9321 11.1866 11.2138 11.5827 11.7369 11.7583 11.8046 12.0588 12.1764 12.2769 12.4277 k = 0.0000 0.4000-0.0000 ( 6499 PWs) bands (ev): -4.6341 -4.6339 -4.3379 -4.3376 -3.8757 -3.8733 -3.8528 -3.8505 -0.3552 -0.3475 -0.1883 -0.1782 0.2487 0.2636 0.3165 0.3286 3.6410 3.6461 3.7045 3.7131 3.8959 3.9011 4.1496 4.1506 4.2005 4.2153 4.4925 4.5103 4.6947 4.7308 4.8148 4.8321 4.8785 4.8890 4.9340 4.9407 5.1790 5.1956 5.2810 5.3144 5.5531 5.6015 5.6826 5.7236 5.7779 5.7991 5.8079 5.8866 6.1513 6.1779 6.2116 6.2159 6.2753 6.2852 6.2907 6.3267 6.3739 6.3892 6.4506 6.4536 6.6015 6.6024 6.6169 6.6278 6.9256 6.9317 7.0084 7.0346 7.1582 7.1622 7.3850 7.4144 7.4895 7.5005 7.7212 7.7366 7.8521 7.9076 8.2217 8.2588 9.1559 9.1608 9.4509 9.4593 10.0229 10.0250 10.4892 10.5762 10.8808 10.9296 11.1590 11.1748 11.5846 11.7334 11.7598 11.8198 12.0375 12.1307 12.2368 12.3615 k = 0.0000 0.4200-0.0000 ( 6499 PWs) bands (ev): -4.6057 -4.6055 -4.3674 -4.3670 -3.8720 -3.8695 -3.8533 -3.8509 -0.3495 -0.3418 -0.2138 -0.2042 0.2583 0.2729 0.3145 0.3269 3.6367 3.6419 3.6878 3.6955 3.9107 3.9149 4.1149 4.1154 4.2208 4.2358 4.4599 4.4783 4.7074 4.7480 4.8081 4.8358 4.8747 4.8806 4.9183 4.9238 5.2312 5.2456 5.3373 5.3689 5.5643 5.6058 5.6415 5.6808 5.7569 5.7790 5.7925 5.8638 6.1576 6.1817 6.2089 6.2110 6.2813 6.2915 6.2927 6.3247 6.3773 6.3925 6.4435 6.4468 6.6041 6.6047 6.6152 6.6265 6.9691 6.9772 7.0347 7.0728 7.1661 7.1743 7.3708 7.4502 7.4650 7.5109 7.7496 7.7613 7.8525 7.9123 8.1537 8.1927 9.2035 9.2073 9.4625 9.4664 10.1020 10.1080 10.4614 10.5530 10.8826 10.9325 11.1310 11.1353 11.5970 11.7314 11.7640 11.8304 12.0192 12.0812 12.1980 12.2947 k = 0.0000 0.4400-0.0000 ( 6488 PWs) bands (ev): -4.5768 -4.5765 -4.3972 -4.3968 -3.8684 -3.8660 -3.8543 -3.8519 -0.3411 -0.3331 -0.2381 -0.2287 0.2678 0.2821 0.3111 0.3238 3.6345 3.6397 3.6728 3.6798 3.9277 3.9311 4.0816 4.0816 4.2448 4.2601 4.4269 4.4454 4.7205 4.7662 4.7984 4.8398 4.8725 4.8747 4.8959 4.9140 5.2847 5.2964 5.3882 5.4196 5.5713 5.5970 5.6055 5.6380 5.7403 5.7650 5.7770 5.8404 6.1643 6.1854 6.2055 6.2060 6.2856 6.2919 6.2990 6.3221 6.3827 6.3970 6.4353 6.4395 6.6055 6.6078 6.6135 6.6247 7.0101 7.0220 7.0585 7.1119 7.1633 7.1780 7.3341 7.3995 7.5252 7.5621 7.7702 7.7778 7.8536 7.9179 8.0836 8.1247 9.2518 9.2544 9.4610 9.4616 10.1728 10.1886 10.4351 10.5237 10.8954 10.9421 11.0959 11.1022 11.6190 11.7311 11.7674 11.8301 12.0093 12.0411 12.1586 12.2299 k = 0.0000 0.4600-0.0000 ( 6480 PWs) bands (ev): -4.5473 -4.5471 -4.4272 -4.4269 -3.8652 -3.8627 -3.8557 -3.8532 -0.3299 -0.3218 -0.2606 -0.2516 0.2770 0.2910 0.3063 0.3193 3.6345 3.6397 3.6600 3.6664 3.9471 3.9499 4.0499 4.0505 4.2713 4.2873 4.3941 4.4123 4.7338 4.7853 4.7869 4.8441 4.8635 4.8753 4.8776 4.9047 5.3385 5.3468 5.4298 5.4644 5.5504 5.5706 5.5911 5.6053 5.7309 5.7593 5.7618 5.8170 6.1712 6.1890 6.1993 6.2029 6.2886 6.2920 6.3043 6.3191 6.3897 6.4026 6.4263 6.4319 6.6068 6.6109 6.6120 6.6224 7.0474 7.0633 7.0797 7.1430 7.1626 7.1784 7.2913 7.3486 7.5908 7.6230 7.7750 7.7825 7.8609 7.9259 8.0158 8.0596 9.2996 9.3008 9.4454 9.4466 10.2360 10.2634 10.4076 10.4872 10.9179 10.9590 11.0569 11.0723 11.6494 11.7334 11.7659 11.8110 12.0135 12.0229 12.1194 12.1693 k = 0.0000 0.4800-0.0000 ( 6484 PWs) bands (ev): -4.5175 -4.5172 -4.4574 -4.4570 -3.8623 -3.8598 -3.8575 -3.8550 -0.3162 -0.3078 -0.2813 -0.2726 0.2856 0.2993 0.3004 0.3137 3.6369 3.6423 3.6497 3.6556 3.9691 3.9712 4.0205 4.0216 4.3000 4.3166 4.3617 4.3795 4.7473 4.7741 4.8051 4.8443 4.8521 4.8628 4.8825 4.8963 5.3920 5.3947 5.4504 5.4879 5.5159 5.5598 5.5676 5.5876 5.7302 5.7480 5.7634 5.7950 6.1783 6.1925 6.1926 6.1995 6.2904 6.2919 6.3086 6.3159 6.3981 6.4092 6.4168 6.4241 6.6080 6.6105 6.6140 6.6198 7.0800 7.0930 7.0973 7.1304 7.1850 7.2021 7.2481 7.2982 7.6562 7.6838 7.7562 7.7698 7.8800 7.9396 7.9566 8.0040 9.3450 9.3451 9.4193 9.4210 10.2909 10.3311 10.3757 10.4431 10.9475 10.9826 11.0186 11.0414 11.6872 11.7394 11.7586 11.7743 12.0288 12.0340 12.0825 12.1149 k = 0.0000 0.5000-0.0000 ( 6480 PWs) bands (ev): -4.4875 -4.4875 -4.4872 -4.4872 -3.8597 -3.8597 -3.8572 -3.8572 -0.2999 -0.2999 -0.2914 -0.2914 0.2935 0.2935 0.3069 0.3069 3.6420 3.6420 3.6476 3.6476 3.9936 3.9936 3.9952 3.9952 4.3302 4.3302 4.3474 4.3474 4.7608 4.7608 4.8255 4.8255 4.8560 4.8560 4.8888 4.8888 5.4346 5.4346 5.4443 5.4443 5.5389 5.5389 5.5701 5.5701 5.7367 5.7367 5.7762 5.7762 6.1855 6.1855 6.1960 6.1960 6.2914 6.2914 6.3125 6.3125 6.4073 6.4073 6.4165 6.4165 6.6092 6.6092 6.6170 6.6170 7.1038 7.1038 7.1078 7.1078 7.2095 7.2095 7.2490 7.2490 7.7143 7.7143 7.7357 7.7357 7.9113 7.9113 7.9639 7.9639 9.3852 9.3852 9.3864 9.3864 10.3373 10.3373 10.3911 10.3911 10.9817 10.9817 11.0108 11.0108 11.7303 11.7303 11.7485 11.7485 12.0510 12.0510 12.0689 12.0689 k = 0.0000 0.5000-0.0000 ( 6480 PWs) bands (ev): -4.4875 -4.4875 -4.4872 -4.4872 -3.8597 -3.8597 -3.8572 -3.8572 -0.2999 -0.2999 -0.2914 -0.2914 0.2935 0.2935 0.3069 0.3069 3.6420 3.6420 3.6476 3.6476 3.9936 3.9936 3.9952 3.9952 4.3302 4.3302 4.3474 4.3474 4.7608 4.7608 4.8255 4.8255 4.8560 4.8560 4.8888 4.8888 5.4346 5.4346 5.4443 5.4443 5.5389 5.5389 5.5701 5.5701 5.7367 5.7367 5.7762 5.7762 6.1855 6.1855 6.1960 6.1960 6.2914 6.2914 6.3125 6.3125 6.4073 6.4073 6.4165 6.4165 6.6092 6.6092 6.6170 6.6170 7.1038 7.1038 7.1078 7.1078 7.2095 7.2095 7.2490 7.2490 7.7143 7.7143 7.7357 7.7357 7.9113 7.9113 7.9639 7.9639 9.3852 9.3852 9.3864 9.3864 10.3373 10.3373 10.3911 10.3911 10.9817 10.9817 11.0108 11.0108 11.7303 11.7303 11.7485 11.7485 12.0510 12.0510 12.0689 12.0689 k = 0.0200 0.5000-0.0000 ( 6488 PWs) bands (ev): -4.4869 -4.4869 -4.4866 -4.4866 -3.8600 -3.8600 -3.8575 -3.8575 -0.3008 -0.3008 -0.2923 -0.2923 0.2928 0.2928 0.3063 0.3063 3.6449 3.6449 3.6507 3.6507 3.9930 3.9930 3.9948 3.9948 4.3260 4.3260 4.3436 4.3436 4.7622 4.7622 4.8294 4.8294 4.8544 4.8544 4.8890 4.8890 5.4349 5.4349 5.4450 5.4450 5.5356 5.5356 5.5722 5.5722 5.7351 5.7351 5.7745 5.7745 6.1846 6.1846 6.1966 6.1966 6.2928 6.2928 6.3148 6.3148 6.4074 6.4075 6.4180 6.4180 6.6085 6.6085 6.6169 6.6170 7.0919 7.0919 7.1200 7.1200 7.2082 7.2082 7.2571 7.2571 7.7156 7.7156 7.7381 7.7381 7.9112 7.9112 7.9637 7.9637 9.3848 9.3848 9.3874 9.3874 10.3351 10.3351 10.3892 10.3892 10.9774 10.9774 11.0092 11.0092 11.7179 11.7179 11.7652 11.7652 12.0182 12.0182 12.0868 12.0868 k = 0.0400 0.5000-0.0000 ( 6486 PWs) bands (ev): -4.4851 -4.4851 -4.4848 -4.4848 -3.8611 -3.8610 -3.8585 -3.8585 -0.3035 -0.3035 -0.2950 -0.2950 0.2910 0.2910 0.3043 0.3043 3.6537 3.6537 3.6597 3.6597 3.9913 3.9913 3.9937 3.9937 4.3140 4.3140 4.3323 4.3323 4.7655 4.7655 4.8388 4.8388 4.8511 4.8511 4.8902 4.8903 5.4357 5.4357 5.4473 5.4473 5.5274 5.5274 5.5769 5.5769 5.7309 5.7309 5.7701 5.7701 6.1822 6.1822 6.1978 6.1978 6.2969 6.2969 6.3213 6.3213 6.4085 6.4086 6.4223 6.4223 6.6065 6.6066 6.6168 6.6168 7.0802 7.0802 7.1309 7.1309 7.2106 7.2106 7.2759 7.2760 7.7195 7.7195 7.7454 7.7454 7.9110 7.9110 7.9632 7.9632 9.3848 9.3848 9.3894 9.3895 10.3287 10.3287 10.3833 10.3833 10.9657 10.9657 11.0037 11.0037 11.7030 11.7030 11.7923 11.7923 11.9672 11.9672 12.0963 12.0963 k = 0.0600 0.5000-0.0000 ( 6474 PWs) bands (ev): -4.4822 -4.4822 -4.4819 -4.4819 -3.8628 -3.8627 -3.8602 -3.8602 -0.3080 -0.3080 -0.2995 -0.2995 0.2881 0.2881 0.3010 0.3010 3.6680 3.6680 3.6745 3.6745 3.9886 3.9886 3.9917 3.9917 4.2955 4.2955 4.3148 4.3148 4.7684 4.7684 4.8373 4.8373 4.8613 4.8613 4.8940 4.8940 5.4366 5.4366 5.4509 5.4509 5.5169 5.5169 5.5823 5.5823 5.7252 5.7252 5.7643 5.7643 6.1791 6.1791 6.1989 6.1989 6.3025 6.3025 6.3307 6.3307 6.4115 6.4115 6.4289 6.4289 6.6039 6.6040 6.6162 6.6163 7.0713 7.0713 7.1363 7.1363 7.2219 7.2219 7.2995 7.2995 7.7268 7.7268 7.7573 7.7573 7.9110 7.9110 7.9636 7.9636 9.3854 9.3854 9.3923 9.3923 10.3179 10.3179 10.3732 10.3732 10.9485 10.9485 10.9936 10.9936 11.6895 11.6895 11.8213 11.8214 11.9098 11.9098 12.0939 12.0939 k = 0.0800 0.5000-0.0000 ( 6470 PWs) bands (ev): -4.4781 -4.4781 -4.4778 -4.4778 -3.8651 -3.8651 -3.8626 -3.8626 -0.3143 -0.3143 -0.3059 -0.3059 0.2842 0.2842 0.2968 0.2968 3.6873 3.6873 3.6944 3.6944 3.9850 3.9850 3.9888 3.9888 4.2724 4.2724 4.2925 4.2925 4.7677 4.7677 4.8256 4.8256 4.8824 4.8824 4.9026 4.9026 5.4364 5.4364 5.4550 5.4550 5.5063 5.5063 5.5877 5.5877 5.7198 5.7198 5.7588 5.7588 6.1757 6.1757 6.1996 6.1996 6.3081 6.3081 6.3411 6.3411 6.4167 6.4167 6.4376 6.4376 6.6011 6.6011 6.6153 6.6153 7.0650 7.0650 7.1373 7.1373 7.2404 7.2404 7.3241 7.3241 7.7376 7.7376 7.7740 7.7740 7.9113 7.9113 7.9666 7.9667 9.3867 9.3867 9.3959 9.3959 10.3028 10.3028 10.3586 10.3586 10.9279 10.9279 10.9792 10.9792 11.6749 11.6749 11.8278 11.8278 11.8725 11.8725 12.0858 12.0858 k = 0.1000 0.5000-0.0000 ( 6462 PWs) bands (ev): -4.4729 -4.4729 -4.4725 -4.4725 -3.8682 -3.8682 -3.8656 -3.8656 -0.3223 -0.3223 -0.3139 -0.3139 0.2796 0.2796 0.2917 0.2917 3.7108 3.7108 3.7189 3.7189 3.9805 3.9805 3.9850 3.9850 4.2463 4.2463 4.2671 4.2671 4.7613 4.7613 4.8099 4.8099 4.9056 4.9057 4.9184 4.9184 5.4341 5.4341 5.4581 5.4581 5.4986 5.4986 5.5932 5.5932 5.7163 5.7163 5.7549 5.7549 6.1722 6.1722 6.2000 6.2000 6.3126 6.3126 6.3509 6.3509 6.4245 6.4246 6.4483 6.4483 6.5983 6.5984 6.6142 6.6143 7.0608 7.0608 7.1366 7.1366 7.2616 7.2616 7.3471 7.3471 7.7508 7.7508 7.7958 7.7958 7.9122 7.9122 7.9758 7.9758 9.3887 9.3887 9.4004 9.4004 10.2835 10.2835 10.3393 10.3393 10.9052 10.9052 10.9613 10.9613 11.6560 11.6560 11.7711 11.7711 11.8968 11.8968 12.0796 12.0796 k = 0.1200 0.5000-0.0000 ( 6466 PWs) bands (ev): -4.4666 -4.4666 -4.4662 -4.4662 -3.8719 -3.8719 -3.8693 -3.8693 -0.3319 -0.3319 -0.3237 -0.3237 0.2745 0.2745 0.2861 0.2861 3.7374 3.7374 3.7469 3.7469 3.9754 3.9754 3.9805 3.9805 4.2189 4.2189 4.2399 4.2399 4.7487 4.7487 4.7908 4.7908 4.9283 4.9283 4.9422 4.9423 5.4286 5.4286 5.4579 5.4579 5.4975 5.4975 5.5990 5.5990 5.7160 5.7160 5.7534 5.7534 6.1690 6.1690 6.2003 6.2003 6.3154 6.3154 6.3586 6.3586 6.4345 6.4345 6.4604 6.4605 6.5963 6.5963 6.6134 6.6134 7.0583 7.0583 7.1355 7.1356 7.2819 7.2819 7.3661 7.3661 7.7642 7.7643 7.8218 7.8218 7.9159 7.9159 7.9947 7.9947 9.3915 9.3915 9.4056 9.4056 10.2600 10.2600 10.3150 10.3150 10.8819 10.8819 10.9412 10.9412 11.6302 11.6302 11.7071 11.7071 11.9275 11.9275 12.0806 12.0806 k = 0.1400 0.5000-0.0000 ( 6474 PWs) bands (ev): -4.4593 -4.4593 -4.4589 -4.4588 -3.8763 -3.8763 -3.8737 -3.8737 -0.3432 -0.3432 -0.3350 -0.3350 0.2692 0.2692 0.2802 0.2802 3.7657 3.7657 3.7769 3.7769 3.9698 3.9698 3.9754 3.9754 4.1916 4.1916 4.2125 4.2125 4.7309 4.7310 4.7687 4.7687 4.9520 4.9520 4.9706 4.9706 5.4203 5.4203 5.4543 5.4543 5.5034 5.5034 5.6055 5.6055 5.7194 5.7194 5.7546 5.7546 6.1665 6.1665 6.2009 6.2009 6.3166 6.3166 6.3639 6.3640 6.4455 6.4455 6.4731 6.4731 6.5953 6.5953 6.6134 6.6134 7.0565 7.0565 7.1343 7.1343 7.2992 7.2992 7.3794 7.3794 7.7757 7.7757 7.8452 7.8452 7.9304 7.9304 8.0257 8.0257 9.3950 9.3950 9.4117 9.4117 10.2325 10.2325 10.2859 10.2859 10.8588 10.8588 10.9199 10.9199 11.5957 11.5957 11.6452 11.6452 11.9562 11.9562 12.0912 12.0912 k = 0.1600 0.5000-0.0000 ( 6490 PWs) bands (ev): -4.4510 -4.4510 -4.4505 -4.4505 -3.8814 -3.8814 -3.8787 -3.8787 -0.3559 -0.3559 -0.3478 -0.3478 0.2638 0.2638 0.2741 0.2742 3.7935 3.7935 3.8071 3.8071 3.9644 3.9644 3.9705 3.9706 4.1659 4.1659 4.1862 4.1862 4.7094 4.7095 4.7439 4.7439 4.9779 4.9779 5.0008 5.0008 5.4109 5.4109 5.4494 5.4494 5.5134 5.5134 5.6130 5.6130 5.7264 5.7264 5.7585 5.7585 6.1649 6.1649 6.2019 6.2020 6.3163 6.3163 6.3671 6.3671 6.4562 6.4563 6.4850 6.4850 6.5961 6.5961 6.6146 6.6147 7.0547 7.0547 7.1325 7.1325 7.3120 7.3120 7.3862 7.3862 7.7845 7.7845 7.8561 7.8561 7.9662 7.9662 8.0689 8.0689 9.3991 9.3991 9.4186 9.4187 10.2015 10.2015 10.2527 10.2527 10.8367 10.8367 10.8982 10.8982 11.5519 11.5519 11.5889 11.5889 11.9825 11.9825 12.1101 12.1101 k = 0.1800 0.5000-0.0000 ( 6492 PWs) bands (ev): -4.4417 -4.4417 -4.4412 -4.4412 -3.8871 -3.8871 -3.8844 -3.8844 -0.3698 -0.3698 -0.3620 -0.3620 0.2586 0.2587 0.2683 0.2683 3.8177 3.8177 3.8344 3.8344 3.9602 3.9602 3.9669 3.9669 4.1437 4.1437 4.1625 4.1625 4.6854 4.6854 4.7173 4.7173 5.0058 5.0058 5.0322 5.0322 5.4022 5.4022 5.4443 5.4443 5.5255 5.5255 5.6211 5.6211 5.7367 5.7367 5.7650 5.7650 6.1644 6.1644 6.2035 6.2035 6.3149 6.3149 6.3685 6.3685 6.4655 6.4655 6.4951 6.4952 6.5992 6.5992 6.6180 6.6180 7.0523 7.0523 7.1299 7.1299 7.3199 7.3199 7.3868 7.3868 7.7918 7.7918 7.8567 7.8567 8.0204 8.0204 8.1223 8.1223 9.4039 9.4039 9.4263 9.4263 10.1677 10.1677 10.2163 10.2163 10.8159 10.8159 10.8767 10.8767 11.5011 11.5011 11.5385 11.5385 12.0066 12.0066 12.1341 12.1341 k = 0.2000 0.5000-0.0000 ( 6494 PWs) bands (ev): -4.4317 -4.4316 -4.4311 -4.4311 -3.8934 -3.8934 -3.8908 -3.8908 -0.3849 -0.3849 -0.3772 -0.3772 0.2538 0.2538 0.2628 0.2628 3.8348 3.8348 3.8544 3.8544 3.9584 3.9584 3.9657 3.9657 4.1275 4.1275 4.1438 4.1438 4.6598 4.6598 4.6894 4.6894 5.0352 5.0352 5.0645 5.0645 5.3954 5.3954 5.4398 5.4399 5.5387 5.5387 5.6297 5.6297 5.7499 5.7499 5.7739 5.7739 6.1651 6.1651 6.2055 6.2055 6.3126 6.3126 6.3688 6.3688 6.4725 6.4725 6.5030 6.5030 6.6049 6.6049 6.6237 6.6237 7.0486 7.0487 7.1260 7.1260 7.3225 7.3225 7.3814 7.3814 7.7988 7.7988 7.8539 7.8539 8.0848 8.0848 8.1830 8.1830 9.4091 9.4091 9.4348 9.4348 10.1322 10.1322 10.1783 10.1783 10.7964 10.7964 10.8559 10.8559 11.4485 11.4485 11.4910 11.4910 12.0293 12.0293 12.1599 12.1599 k = 0.2200 0.5000-0.0000 ( 6502 PWs) bands (ev): -4.4208 -4.4208 -4.4202 -4.4202 -3.9004 -3.9004 -3.8977 -3.8977 -0.4007 -0.4007 -0.3933 -0.3933 0.2494 0.2494 0.2577 0.2577 3.8422 3.8422 3.8633 3.8633 3.9575 3.9575 3.9670 3.9670 4.1205 4.1205 4.1334 4.1334 4.6336 4.6337 4.6611 4.6611 5.0660 5.0660 5.0977 5.0977 5.3912 5.3912 5.4365 5.4366 5.5522 5.5522 5.6382 5.6382 5.7654 5.7654 5.7849 5.7849 6.1672 6.1672 6.2077 6.2077 6.3093 6.3094 6.3682 6.3683 6.4771 6.4772 6.5083 6.5083 6.6131 6.6132 6.6320 6.6320 7.0434 7.0434 7.1205 7.1206 7.3200 7.3200 7.3706 7.3706 7.8069 7.8070 7.8511 7.8511 8.1542 8.1542 8.2477 8.2477 9.4147 9.4147 9.4439 9.4439 10.0964 10.0964 10.1407 10.1407 10.7782 10.7782 10.8356 10.8356 11.3975 11.3975 11.4443 11.4443 12.0505 12.0505 12.1852 12.1852 k = 0.2400 0.5000-0.0000 ( 6502 PWs) bands (ev): -4.4093 -4.4093 -4.4087 -4.4086 -3.9079 -3.9079 -3.9053 -3.9053 -0.4171 -0.4171 -0.4100 -0.4100 0.2456 0.2456 0.2532 0.2532 3.8407 3.8407 3.8615 3.8615 3.9529 3.9530 3.9674 3.9674 4.1246 4.1246 4.1352 4.1352 4.6077 4.6077 4.6331 4.6331 5.0979 5.0979 5.1317 5.1317 5.3900 5.3900 5.4350 5.4350 5.5657 5.5657 5.6464 5.6464 5.7827 5.7827 5.7980 5.7980 6.1705 6.1705 6.2097 6.2097 6.3052 6.3053 6.3670 6.3670 6.4799 6.4799 6.5117 6.5117 6.6235 6.6235 6.6425 6.6425 7.0363 7.0363 7.1133 7.1133 7.3127 7.3127 7.3551 7.3551 7.8170 7.8170 7.8501 7.8501 8.2250 8.2250 8.3131 8.3131 9.4209 9.4209 9.4539 9.4539 10.0624 10.0624 10.1055 10.1055 10.7607 10.7607 10.8157 10.8157 11.3492 11.3492 11.3983 11.3983 12.0701 12.0701 12.2082 12.2082 k = 0.2600 0.5000-0.0000 ( 6490 PWs) bands (ev): -4.3972 -4.3972 -4.3966 -4.3965 -3.9159 -3.9159 -3.9133 -3.9133 -0.4338 -0.4338 -0.4270 -0.4270 0.2423 0.2423 0.2493 0.2493 3.8330 3.8330 3.8529 3.8530 3.9427 3.9427 3.9617 3.9617 4.1392 4.1392 4.1497 4.1497 4.5827 4.5827 4.6062 4.6062 5.1304 5.1304 5.1662 5.1662 5.3922 5.3922 5.4356 5.4356 5.5791 5.5791 5.6543 5.6543 5.8011 5.8011 5.8132 5.8132 6.1747 6.1747 6.2110 6.2110 6.3002 6.3002 6.3651 6.3651 6.4820 6.4820 6.5138 6.5138 6.6354 6.6354 6.6544 6.6544 7.0273 7.0273 7.1041 7.1041 7.3009 7.3009 7.3356 7.3356 7.8293 7.8293 7.8519 7.8519 8.2936 8.2937 8.3755 8.3756 9.4284 9.4284 9.4654 9.4655 10.0321 10.0321 10.0748 10.0748 10.7436 10.7436 10.7959 10.7959 11.3036 11.3036 11.3531 11.3531 12.0880 12.0880 12.2280 12.2280 k = 0.2800 0.5000-0.0000 ( 6488 PWs) bands (ev): -4.3848 -4.3847 -4.3841 -4.3840 -3.9244 -3.9244 -3.9219 -3.9219 -0.4504 -0.4504 -0.4440 -0.4440 0.2397 0.2397 0.2460 0.2460 3.8218 3.8218 3.8409 3.8410 3.9278 3.9278 3.9495 3.9496 4.1613 4.1613 4.1722 4.1722 4.5591 4.5591 4.5808 4.5808 5.1629 5.1629 5.2004 5.2004 5.3982 5.3982 5.4389 5.4389 5.5925 5.5925 5.6619 5.6619 5.8199 5.8199 5.8306 5.8306 6.1792 6.1792 6.2110 6.2110 6.2940 6.2940 6.3619 6.3619 6.4846 6.4846 6.5155 6.5155 6.6481 6.6481 6.6671 6.6671 7.0165 7.0165 7.0931 7.0931 7.2850 7.2850 7.3130 7.3130 7.8439 7.8439 7.8577 7.8577 8.3566 8.3566 8.4312 8.4312 9.4384 9.4384 9.4797 9.4797 10.0075 10.0075 10.0500 10.0500 10.7261 10.7261 10.7755 10.7755 11.2605 11.2605 11.3090 11.3090 12.1040 12.1040 12.2439 12.2439 k = 0.3000 0.5000-0.0000 ( 6474 PWs) bands (ev): -4.3720 -4.3720 -4.3713 -4.3712 -3.9333 -3.9332 -3.9308 -3.9308 -0.4667 -0.4667 -0.4607 -0.4607 0.2375 0.2376 0.2433 0.2433 3.8090 3.8090 3.8276 3.8276 3.9103 3.9103 3.9332 3.9332 4.1872 4.1872 4.1981 4.1981 4.5372 4.5372 4.5573 4.5573 5.1942 5.1942 5.2333 5.2333 5.4083 5.4083 5.4454 5.4454 5.6064 5.6064 5.6698 5.6698 5.8385 5.8385 5.8502 5.8502 6.1833 6.1833 6.2096 6.2096 6.2866 6.2866 6.3566 6.3566 6.4892 6.4892 6.5177 6.5177 6.6610 6.6610 6.6799 6.6800 7.0042 7.0042 7.0804 7.0805 7.2656 7.2656 7.2881 7.2881 7.8595 7.8595 7.8689 7.8689 8.4104 8.4104 8.4763 8.4763 9.4531 9.4531 9.4987 9.4987 9.9900 9.9900 10.0322 10.0323 10.7073 10.7074 10.7540 10.7540 11.2196 11.2196 11.2662 11.2662 12.1182 12.1182 12.2557 12.2557 k = 0.3200 0.5000-0.0000 ( 6482 PWs) bands (ev): -4.3592 -4.3591 -4.3584 -4.3584 -3.9423 -3.9423 -3.9399 -3.9399 -0.4824 -0.4824 -0.4769 -0.4769 0.2359 0.2359 0.2410 0.2411 3.7958 3.7958 3.8141 3.8141 3.8915 3.8915 3.9148 3.9148 4.2137 4.2137 4.2245 4.2245 4.5173 4.5173 4.5359 4.5359 5.2231 5.2231 5.2630 5.2630 5.4230 5.4230 5.4555 5.4555 5.6214 5.6214 5.6788 5.6788 5.8571 5.8571 5.8713 5.8713 6.1857 6.1857 6.2067 6.2067 6.2780 6.2780 6.3484 6.3484 6.4963 6.4963 6.5214 6.5214 6.6735 6.6735 6.6924 6.6924 6.9906 6.9907 7.0663 7.0663 7.2432 7.2432 7.2618 7.2618 7.8748 7.8748 7.8869 7.8869 8.4514 8.4514 8.5077 8.5077 9.4749 9.4749 9.5248 9.5248 9.9802 9.9802 10.0215 10.0215 10.6865 10.6865 10.7307 10.7307 11.1806 11.1806 11.2251 11.2251 12.1306 12.1306 12.2633 12.2633 k = 0.3400 0.5000-0.0000 ( 6478 PWs) bands (ev): -4.3464 -4.3464 -4.3456 -4.3456 -3.9515 -3.9515 -3.9493 -3.9492 -0.4972 -0.4972 -0.4922 -0.4922 0.2348 0.2348 0.2393 0.2393 3.7831 3.7831 3.8013 3.8013 3.8723 3.8723 3.8956 3.8956 4.2391 4.2391 4.2497 4.2497 4.4995 4.4995 4.5168 4.5168 5.2485 5.2485 5.2879 5.2879 5.4418 5.4418 5.4691 5.4691 5.6390 5.6390 5.6901 5.6901 5.8755 5.8755 5.8932 5.8932 6.1850 6.1850 6.2030 6.2030 6.2684 6.2684 6.3369 6.3369 6.5056 6.5056 6.5277 6.5277 6.6851 6.6851 6.7040 6.7040 6.9764 6.9764 7.0510 7.0510 7.2187 7.2187 7.2351 7.2351 7.8922 7.8922 7.9094 7.9094 8.4772 8.4773 8.5234 8.5234 9.5062 9.5062 9.5601 9.5601 9.9776 9.9776 10.0172 10.0172 10.6626 10.6626 10.7047 10.7047 11.1435 11.1435 11.1863 11.1863 12.1416 12.1416 12.2668 12.2668 k = 0.3600 0.5000-0.0000 ( 6468 PWs) bands (ev): -4.3340 -4.3340 -4.3332 -4.3332 -3.9606 -3.9606 -3.9585 -3.9585 -0.5108 -0.5108 -0.5063 -0.5063 0.2340 0.2340 0.2379 0.2379 3.7716 3.7716 3.7898 3.7898 3.8534 3.8534 3.8764 3.8764 4.2625 4.2625 4.2728 4.2728 4.4839 4.4839 4.4999 4.4999 5.2698 5.2698 5.3071 5.3071 5.4630 5.4630 5.4849 5.4850 5.6606 5.6606 5.7053 5.7053 5.8937 5.8937 5.9152 5.9152 6.1798 6.1798 6.1987 6.1987 6.2582 6.2582 6.3219 6.3219 6.5160 6.5160 6.5380 6.5380 6.6950 6.6950 6.7143 6.7143 6.9621 6.9621 7.0350 7.0350 7.1935 7.1935 7.2087 7.2087 7.9130 7.9130 7.9348 7.9348 8.4868 8.4868 8.5237 8.5237 9.5480 9.5480 9.6052 9.6052 9.9812 9.9812 10.0181 10.0181 10.6347 10.6347 10.6753 10.6753 11.1087 11.1087 11.1502 11.1502 12.1514 12.1514 12.2667 12.2667 k = 0.3800 0.5000-0.0000 ( 6468 PWs) bands (ev): -4.3222 -4.3221 -4.3214 -4.3214 -3.9694 -3.9694 -3.9675 -3.9675 -0.5231 -0.5231 -0.5192 -0.5191 0.2335 0.2335 0.2369 0.2369 3.7617 3.7617 3.7799 3.7799 3.8354 3.8354 3.8579 3.8579 4.2833 4.2833 4.2932 4.2933 4.4703 4.4703 4.4851 4.4851 5.2870 5.2870 5.3208 5.3208 5.4836 5.4836 5.5011 5.5011 5.6876 5.6876 5.7260 5.7260 5.9108 5.9108 5.9366 5.9366 6.1705 6.1705 6.1934 6.1934 6.2478 6.2478 6.3037 6.3037 6.5268 6.5268 6.5522 6.5522 6.7026 6.7026 6.7228 6.7228 6.9487 6.9487 7.0185 7.0185 7.1687 7.1687 7.1832 7.1832 7.9371 7.9372 7.9624 7.9624 8.4810 8.4811 8.5104 8.5104 9.5998 9.5998 9.6592 9.6592 9.9893 9.9894 10.0226 10.0226 10.6023 10.6023 10.6418 10.6418 11.0773 11.0773 11.1172 11.1172 12.1604 12.1604 12.2636 12.2636 k = 0.4000 0.5000-0.0000 ( 6470 PWs) bands (ev): -4.3112 -4.3112 -4.3105 -4.3105 -3.9777 -3.9777 -3.9760 -3.9760 -0.5337 -0.5337 -0.5304 -0.5304 0.2333 0.2333 0.2361 0.2361 3.7538 3.7538 3.7719 3.7719 3.8187 3.8187 3.8404 3.8404 4.3014 4.3014 4.3109 4.3109 4.4588 4.4588 4.4722 4.4722 5.3009 5.3009 5.3302 5.3302 5.5009 5.5009 5.5153 5.5153 5.7203 5.7204 5.7529 5.7530 5.9260 5.9260 5.9564 5.9564 6.1580 6.1580 6.1866 6.1866 6.2374 6.2374 6.2827 6.2827 6.5388 6.5388 6.5688 6.5688 6.7073 6.7073 6.7288 6.7288 6.9372 6.9372 7.0020 7.0020 7.1457 7.1458 7.1592 7.1592 7.9644 7.9644 7.9916 7.9916 8.4626 8.4626 8.4868 8.4868 9.6595 9.6595 9.7192 9.7192 10.0004 10.0004 10.0291 10.0292 10.5655 10.5655 10.6039 10.6039 11.0502 11.0502 11.0876 11.0876 12.1689 12.1689 12.2581 12.2581 k = 0.4200 0.5000-0.0000 ( 6474 PWs) bands (ev): -4.3015 -4.3015 -4.3009 -4.3009 -3.9851 -3.9851 -3.9836 -3.9836 -0.5426 -0.5426 -0.5399 -0.5399 0.2333 0.2333 0.2355 0.2355 3.7482 3.7482 3.7657 3.7657 3.8039 3.8040 3.8244 3.8244 4.3167 4.3167 4.3255 4.3255 4.4493 4.4493 4.4611 4.4611 5.3120 5.3120 5.3361 5.3361 5.5140 5.5140 5.5261 5.5261 5.7579 5.7579 5.7854 5.7854 5.9380 5.9380 5.9730 5.9730 6.1440 6.1440 6.1792 6.1792 6.2269 6.2269 6.2598 6.2598 6.5522 6.5522 6.5858 6.5858 6.7088 6.7089 6.7317 6.7317 6.9288 6.9288 6.9860 6.9861 7.1257 7.1257 7.1377 7.1377 7.9940 7.9940 8.0215 8.0215 8.4353 8.4353 8.4565 8.4565 9.7238 9.7238 9.7815 9.7815 10.0127 10.0127 10.0362 10.0362 10.5255 10.5255 10.5621 10.5621 11.0286 11.0287 11.0619 11.0619 12.1774 12.1774 12.2508 12.2508 k = 0.4400 0.5000-0.0000 ( 6480 PWs) bands (ev): -4.2934 -4.2934 -4.2929 -4.2929 -3.9913 -3.9913 -3.9902 -3.9901 -0.5496 -0.5496 -0.5476 -0.5475 0.2334 0.2334 0.2351 0.2351 3.7448 3.7449 3.7610 3.7610 3.7919 3.7919 3.8103 3.8103 4.3293 4.3293 4.3369 4.3369 4.4419 4.4419 4.4518 4.4518 5.3209 5.3210 5.3394 5.3394 5.5235 5.5235 5.5331 5.5332 5.7979 5.7979 5.8210 5.8210 5.9450 5.9450 5.9832 5.9832 6.1320 6.1320 6.1724 6.1724 6.2162 6.2162 6.2362 6.2362 6.5669 6.5669 6.6009 6.6009 6.7079 6.7079 6.7312 6.7312 6.9245 6.9245 6.9711 6.9711 7.1096 7.1096 7.1193 7.1193 8.0247 8.0247 8.0504 8.0504 8.4041 8.4041 8.4232 8.4232 9.7884 9.7884 9.8405 9.8406 10.0246 10.0246 10.0425 10.0425 10.4851 10.4851 10.5182 10.5182 11.0131 11.0131 11.0402 11.0402 12.1860 12.1860 12.2424 12.2424 k = 0.4600 0.5000-0.0000 ( 6482 PWs) bands (ev): -4.2872 -4.2872 -4.2869 -4.2868 -3.9960 -3.9960 -3.9952 -3.9952 -0.5545 -0.5545 -0.5532 -0.5532 0.2336 0.2336 0.2347 0.2347 3.7439 3.7439 3.7570 3.7570 3.7839 3.7839 3.7985 3.7985 4.3392 4.3392 4.3449 4.3449 4.4369 4.4369 4.4442 4.4442 5.3281 5.3281 5.3406 5.3406 5.5301 5.5301 5.5369 5.5369 5.8373 5.8373 5.8567 5.8567 5.9459 5.9459 5.9823 5.9824 6.1271 6.1271 6.1665 6.1665 6.2055 6.2055 6.2147 6.2147 6.5823 6.5823 6.6114 6.6114 6.7066 6.7066 6.7272 6.7272 6.9246 6.9246 6.9575 6.9575 7.0981 7.0981 7.1050 7.1050 8.0543 8.0543 8.0754 8.0754 8.3751 8.3751 8.3909 8.3910 9.8476 9.8476 9.8894 9.8894 10.0350 10.0350 10.0470 10.0470 10.4495 10.4495 10.4760 10.4760 11.0037 11.0037 11.0229 11.0229 12.1949 12.1949 12.2333 12.2333 k = 0.4800 0.5000-0.0000 ( 6488 PWs) bands (ev): -4.2834 -4.2833 -4.2832 -4.2831 -3.9988 -3.9988 -3.9984 -3.9984 -0.5574 -0.5574 -0.5567 -0.5567 0.2338 0.2338 0.2344 0.2344 3.7452 3.7452 3.7527 3.7527 3.7810 3.7810 3.7892 3.7892 4.3460 4.3460 4.3491 4.3492 4.4346 4.4346 4.4385 4.4385 5.3336 5.3336 5.3399 5.3399 5.5345 5.5345 5.5380 5.5381 5.8717 5.8717 5.8868 5.8868 5.9422 5.9422 5.9686 5.9687 6.1325 6.1325 6.1584 6.1584 6.1959 6.1959 6.2003 6.2003 6.5969 6.5969 6.6142 6.6142 6.7080 6.7080 6.7206 6.7206 6.9286 6.9286 6.9456 6.9456 7.0917 7.0917 7.0953 7.0953 8.0790 8.0790 8.0914 8.0914 8.3552 8.3552 8.3648 8.3648 9.8945 9.8945 9.9187 9.9187 10.0430 10.0430 10.0491 10.0491 10.4262 10.4262 10.4416 10.4416 11.0003 11.0003 11.0102 11.0102 12.2042 12.2042 12.2236 12.2236 k = 0.5000 0.5000-0.0000 ( 6496 PWs) bands (ev): -4.2820 -4.2820 -4.2819 -4.2819 -3.9997 -3.9997 -3.9996 -3.9996 -0.5582 -0.5582 -0.5581 -0.5581 0.2341 0.2341 0.2341 0.2341 3.7484 3.7484 3.7484 3.7484 3.7831 3.7831 3.7831 3.7831 4.3494 4.3494 4.3494 4.3494 4.4352 4.4352 4.4352 4.4352 5.3375 5.3375 5.3375 5.3375 5.5371 5.5371 5.5372 5.5372 5.8937 5.8937 5.8937 5.8937 5.9489 5.9489 5.9489 5.9489 6.1453 6.1453 6.1453 6.1453 6.1939 6.1939 6.1939 6.1939 6.6085 6.6085 6.6086 6.6086 6.7133 6.7133 6.7133 6.7133 6.9358 6.9358 6.9358 6.9358 7.0908 7.0908 7.0908 7.0908 8.0929 8.0929 8.0929 8.0929 8.3512 8.3512 8.3512 8.3512 9.9205 9.9205 9.9205 9.9205 10.0479 10.0479 10.0479 10.0479 10.4230 10.4230 10.4230 10.4230 11.0026 11.0026 11.0026 11.0026 12.2139 12.2139 12.2139 12.2139 k = 0.5000 0.5000-0.0000 ( 6496 PWs) bands (ev): -4.2820 -4.2820 -4.2819 -4.2819 -3.9997 -3.9997 -3.9996 -3.9996 -0.5582 -0.5582 -0.5581 -0.5581 0.2341 0.2341 0.2341 0.2341 3.7484 3.7484 3.7484 3.7484 3.7831 3.7831 3.7831 3.7831 4.3494 4.3494 4.3494 4.3494 4.4352 4.4352 4.4352 4.4352 5.3375 5.3375 5.3375 5.3375 5.5371 5.5371 5.5372 5.5372 5.8937 5.8937 5.8937 5.8937 5.9489 5.9489 5.9489 5.9489 6.1453 6.1453 6.1453 6.1453 6.1939 6.1939 6.1939 6.1939 6.6085 6.6085 6.6086 6.6086 6.7133 6.7133 6.7133 6.7133 6.9358 6.9358 6.9358 6.9358 7.0908 7.0908 7.0908 7.0908 8.0929 8.0929 8.0929 8.0929 8.3512 8.3512 8.3512 8.3512 9.9205 9.9205 9.9205 9.9205 10.0479 10.0479 10.0479 10.0479 10.4230 10.4230 10.4230 10.4230 11.0026 11.0026 11.0026 11.0026 12.2139 12.2139 12.2139 12.2139 k = 0.4861 0.4861-0.0000 ( 6490 PWs) bands (ev): -4.2849 -4.2848 -4.2815 -4.2815 -3.9996 -3.9995 -3.9978 -3.9978 -0.5581 -0.5578 -0.5566 -0.5563 0.2336 0.2340 0.2345 0.2349 3.7288 3.7354 3.7460 3.7491 3.7827 3.7863 3.7995 3.8056 4.3441 4.3465 4.3493 4.3510 4.4349 4.4361 4.4368 4.4409 5.3323 5.3348 5.3379 5.3416 5.5331 5.5365 5.5373 5.5411 5.8712 5.8800 5.8921 5.8948 5.9385 5.9450 5.9532 5.9689 6.1183 6.1380 6.1506 6.1686 6.1814 6.1854 6.2092 6.2134 6.5948 6.6033 6.6122 6.6149 6.7076 6.7108 6.7181 6.7229 6.9239 6.9333 6.9394 6.9497 7.0875 7.0886 7.0978 7.1003 8.0719 8.0766 8.0912 8.0956 8.3440 8.3488 8.3657 8.3766 9.8951 9.8993 9.9056 9.9274 10.0399 10.0474 10.0562 10.0659 10.4182 10.4285 10.4361 10.4420 10.9952 11.0064 11.0071 11.0124 12.1989 12.2073 12.2183 12.2235 k = 0.4722 0.4722-0.0000 ( 6488 PWs) bands (ev): -4.2934 -4.2933 -4.2803 -4.2802 -3.9992 -3.9990 -3.9925 -3.9924 -0.5574 -0.5569 -0.5519 -0.5512 0.2329 0.2337 0.2358 0.2366 3.7075 3.7191 3.7292 3.7379 3.7983 3.8070 3.8234 3.8335 4.3327 4.3363 4.3504 4.3539 4.4363 4.4385 4.4433 4.4509 5.3259 5.3302 5.3358 5.3446 5.5265 5.5345 5.5376 5.5465 5.8386 5.8480 5.8787 5.8845 5.9205 5.9482 5.9580 5.9873 6.0967 6.1316 6.1503 6.1677 6.1873 6.1937 6.2260 6.2375 6.5758 6.5964 6.6105 6.6186 6.7022 6.7075 6.7273 6.7362 6.9155 6.9319 6.9440 6.9648 7.0909 7.0916 7.1092 7.1150 8.0299 8.0362 8.0860 8.0949 8.3304 8.3407 8.4070 8.4262 9.8524 9.8566 9.8688 9.9132 10.0289 10.0550 10.0679 10.0914 10.4197 10.4410 10.4736 10.4826 10.9873 11.0106 11.0219 11.0325 12.1789 12.1988 12.2206 12.2283 k = 0.4583 0.4583-0.0000 ( 6484 PWs) bands (ev): -4.3069 -4.3067 -4.2781 -4.2780 -3.9985 -3.9983 -3.9844 -3.9842 -0.5562 -0.5554 -0.5439 -0.5428 0.2319 0.2332 0.2379 0.2392 3.6877 3.7012 3.7154 3.7260 3.8179 3.8289 3.8521 3.8638 4.3180 4.3217 4.3528 4.3581 4.4389 4.4421 4.4531 4.4629 5.3183 5.3238 5.3311 5.3463 5.5162 5.5280 5.5407 5.5533 5.8004 5.8083 5.8593 5.8697 5.8932 5.9289 5.9727 6.0014 6.0858 6.1279 6.1467 6.1634 6.1972 6.2098 6.2415 6.2629 6.5550 6.5859 6.6076 6.6210 6.6952 6.7020 6.7380 6.7497 6.9124 6.9320 6.9499 6.9817 7.0995 7.1011 7.1239 7.1340 7.9796 7.9854 8.0787 8.0921 8.3098 8.3253 8.4610 8.4860 9.7928 9.8023 9.8340 9.8880 10.0083 10.0425 10.0960 10.1182 10.4286 10.4591 10.5295 10.5390 10.9790 11.0114 11.0471 11.0634 12.1547 12.1882 12.2211 12.2296 k = 0.4444 0.4444-0.0000 ( 6474 PWs) bands (ev): -4.3244 -4.3242 -4.2751 -4.2749 -3.9975 -3.9973 -3.9743 -3.9740 -0.5544 -0.5534 -0.5327 -0.5312 0.2307 0.2323 0.2410 0.2426 3.6700 3.6837 3.7050 3.7156 3.8388 3.8507 3.8842 3.8957 4.3017 4.3050 4.3566 4.3635 4.4426 4.4469 4.4640 4.4754 5.3094 5.3159 5.3241 5.3467 5.5012 5.5165 5.5452 5.5609 5.7603 5.7674 5.8348 5.8497 5.8587 5.8971 5.9862 6.0129 6.0839 6.1268 6.1440 6.1626 6.2095 6.2238 6.2548 6.2865 6.5342 6.5722 6.6065 6.6213 6.6862 6.6943 6.7459 6.7601 6.9152 6.9356 6.9571 7.0010 7.1121 7.1169 7.1411 7.1561 7.9279 7.9328 8.0691 8.0870 8.2826 8.3030 8.5179 8.5478 9.7292 9.7430 9.8014 9.8590 9.9777 10.0191 10.1243 10.1440 10.4472 10.4844 10.5944 10.6049 10.9706 11.0088 11.0806 11.1030 12.1276 12.1749 12.2202 12.2296 k = 0.4306 0.4306-0.0000 ( 6466 PWs) bands (ev): -4.3450 -4.3448 -4.2713 -4.2710 -3.9963 -3.9960 -3.9629 -3.9626 -0.5520 -0.5507 -0.5184 -0.5166 0.2291 0.2311 0.2449 0.2469 3.6545 3.6681 3.6973 3.7074 3.8601 3.8723 3.9185 3.9291 4.2852 4.2877 4.3616 4.3701 4.4473 4.4528 4.4752 4.4880 5.2992 5.3059 5.3151 5.3456 5.4801 5.4987 5.5502 5.5684 5.7219 5.7287 5.8028 5.8153 5.8320 5.8601 5.9978 6.0229 6.0867 6.1268 6.1441 6.1642 6.2215 6.2358 6.2659 6.3069 6.5144 6.5570 6.6062 6.6194 6.6750 6.6849 6.7489 6.7655 6.9204 6.9465 6.9655 7.0231 7.1284 7.1376 7.1597 7.1808 7.8775 7.8822 8.0572 8.0792 8.2496 8.2743 8.5724 8.6065 9.6669 9.6854 9.7712 9.8293 9.9394 9.9876 10.1492 10.1678 10.4771 10.5175 10.6610 10.6756 10.9628 11.0029 11.1207 11.1495 12.0984 12.1583 12.2186 12.2304 k = 0.4167 0.4167-0.0000 ( 6482 PWs) bands (ev): -4.3681 -4.3679 -4.2666 -4.2663 -3.9948 -3.9945 -3.9510 -3.9506 -0.5489 -0.5474 -0.5012 -0.4991 0.2271 0.2295 0.2495 0.2519 3.6414 3.6548 3.6921 3.7014 3.8810 3.8935 3.9545 3.9635 4.2694 4.2708 4.3677 4.3777 4.4529 4.4598 4.4863 4.5002 5.2869 5.2926 5.3045 5.3428 5.4525 5.4741 5.5539 5.5745 5.6862 5.6948 5.7627 5.7768 5.8081 5.8244 6.0073 6.0315 6.0920 6.1266 6.1474 6.1671 6.2318 6.2461 6.2753 6.3238 6.4964 6.5415 6.6040 6.6171 6.6618 6.6746 6.7465 6.7661 6.9247 6.9650 6.9755 7.0472 7.1475 7.1622 7.1788 7.2073 7.8302 7.8357 8.0421 8.0676 8.2119 8.2401 8.6201 8.6580 9.6091 9.6333 9.7446 9.8010 9.8958 9.9499 10.1709 10.1901 10.5178 10.5579 10.7244 10.7453 10.9580 10.9952 11.1658 11.2010 12.0680 12.1381 12.2170 12.2327 k = 0.4028 0.4028-0.0000 ( 6466 PWs) bands (ev): -4.3931 -4.3928 -4.2611 -4.2608 -3.9931 -3.9927 -3.9390 -3.9386 -0.5451 -0.5433 -0.4812 -0.4787 0.2248 0.2275 0.2547 0.2574 3.6307 3.6440 3.6894 3.6978 3.9007 3.9134 3.9917 3.9988 4.2552 4.2555 4.3750 4.3864 4.4594 4.4677 4.4973 4.5124 5.2710 5.2748 5.2929 5.3381 5.4202 5.4443 5.5539 5.5766 5.6506 5.6649 5.7277 5.7391 5.7823 5.7924 6.0148 6.0388 6.0993 6.1267 6.1527 6.1706 6.2398 6.2549 6.2834 6.3375 6.4803 6.5263 6.5976 6.6162 6.6473 6.6638 6.7401 6.7630 6.9287 6.9822 6.9909 7.0713 7.1680 7.1898 7.1985 7.2356 7.7872 7.7939 8.0231 8.0505 8.1714 8.2013 8.6575 8.6983 9.5577 9.5888 9.7236 9.7754 9.8496 9.9080 10.1921 10.2127 10.5655 10.6040 10.7789 10.8055 10.9619 10.9903 11.2147 11.2560 12.0373 12.1149 12.2153 12.2362 k = 0.3889 0.3889-0.0000 ( 6460 PWs) bands (ev): -4.4194 -4.4191 -4.2548 -4.2545 -3.9912 -3.9907 -3.9273 -3.9269 -0.5405 -0.5384 -0.4585 -0.4557 0.2221 0.2252 0.2604 0.2635 3.6225 3.6358 3.6891 3.6966 3.9183 3.9315 4.0296 4.0346 4.2427 4.2436 4.3832 4.3958 4.4664 4.4764 4.5083 4.5247 5.2466 5.2528 5.2798 5.3312 5.3877 5.4135 5.5432 5.5693 5.6082 5.6449 5.7048 5.7109 5.7545 5.7633 6.0205 6.0449 6.1082 6.1276 6.1588 6.1741 6.2454 6.2627 6.2906 6.3481 6.4663 6.5113 6.5876 6.6153 6.6326 6.6534 6.7312 6.7569 6.9330 6.9931 7.0120 7.0929 7.1888 7.2124 7.2263 7.2653 7.7493 7.7574 7.9990 8.0250 8.1314 8.1597 8.6819 8.7246 9.5126 9.5518 9.7099 9.7519 9.8069 9.8635 10.2154 10.2380 10.6132 10.6535 10.8172 10.8426 10.9835 11.0006 11.2666 11.3134 12.0071 12.0901 12.2131 12.2391 k = 0.3750 0.3750-0.0000 ( 6474 PWs) bands (ev): -4.4467 -4.4464 -4.2478 -4.2474 -3.9891 -3.9885 -3.9162 -3.9158 -0.5350 -0.5327 -0.4335 -0.4302 0.2189 0.2224 0.2664 0.2698 3.6166 3.6301 3.6911 3.6979 3.9329 3.9467 4.0671 4.0710 4.2334 4.2355 4.3921 4.4057 4.4738 4.4856 4.5196 4.5375 5.2121 5.2236 5.2651 5.3220 5.3605 5.3864 5.5121 5.5365 5.5810 5.6361 5.6827 5.7047 5.7254 5.7373 6.0247 6.0497 6.1179 6.1293 6.1651 6.1771 6.2489 6.2694 6.2971 6.3562 6.4542 6.4968 6.5755 6.6102 6.6202 6.6447 6.7207 6.7487 6.9369 7.0025 7.0305 7.1100 7.2088 7.2291 7.2616 7.2963 7.7170 7.7264 7.9683 7.9882 8.0948 8.1175 8.6920 8.7355 9.4724 9.5194 9.7006 9.7221 9.7847 9.8197 10.2436 10.2684 10.6495 10.7044 10.8327 10.8570 11.0182 11.0416 11.3211 11.3721 11.9784 12.0650 12.2101 12.2395 k = 0.3611 0.3611-0.0000 ( 6470 PWs) bands (ev): -4.4747 -4.4744 -4.2401 -4.2396 -3.9868 -3.9861 -3.9058 -3.9054 -0.5286 -0.5260 -0.4062 -0.4026 0.2154 0.2192 0.2726 0.2763 3.6132 3.6271 3.6953 3.7016 3.9439 3.9583 4.1028 4.1083 4.2286 4.2319 4.4014 4.4160 4.4812 4.4952 4.5317 4.5514 5.1695 5.1858 5.2484 5.3103 5.3410 5.3653 5.4626 5.4848 5.5735 5.6272 5.6702 5.6965 5.7043 5.7194 6.0281 6.0536 6.1281 6.1318 6.1713 6.1796 6.2511 6.2752 6.3031 6.3621 6.4440 6.4828 6.5624 6.5975 6.6122 6.6393 6.7093 6.7390 6.9402 7.0101 7.0440 7.1212 7.2273 7.2441 7.2990 7.3282 7.6905 7.7008 7.9298 7.9406 8.0615 8.0772 8.6888 8.7317 9.4344 9.4876 9.6642 9.7052 9.7872 9.7914 10.2785 10.3054 10.6650 10.7470 10.8281 10.8767 11.0608 11.0995 11.3779 11.4316 11.9528 12.0412 12.2057 12.2366 k = 0.3472 0.3472-0.0000 ( 6470 PWs) bands (ev): -4.5030 -4.5028 -4.2316 -4.2311 -3.9843 -3.9836 -3.8963 -3.8959 -0.5212 -0.5183 -0.3770 -0.3730 0.2115 0.2157 0.2788 0.2828 3.6122 3.6266 3.7016 3.7076 3.9507 3.9656 4.1363 4.1455 4.2289 4.2332 4.4109 4.4263 4.4884 4.5048 4.5450 4.5666 5.1219 5.1422 5.2289 5.2958 5.3277 5.3492 5.4035 5.4341 5.5685 5.6105 5.6587 5.6717 5.7016 5.7202 6.0308 6.0566 6.1343 6.1387 6.1773 6.1815 6.2523 6.2801 6.3087 6.3662 6.4353 6.4696 6.5488 6.5826 6.6038 6.6371 6.6974 6.7284 6.9420 7.0151 7.0516 7.1258 7.2437 7.2578 7.3354 7.3599 7.6693 7.6804 7.8835 7.8865 8.0284 8.0416 8.6748 8.7161 9.3963 9.4533 9.6115 9.6775 9.7879 9.8179 10.3213 10.3498 10.6596 10.7513 10.8435 10.9047 11.1063 11.1604 11.4370 11.4911 11.9322 12.0204 12.2002 12.2311 k = 0.3333 0.3333-0.0000 ( 6460 PWs) bands (ev): -4.5316 -4.5314 -4.2225 -4.2220 -3.9817 -3.9810 -3.8878 -3.8874 -0.5127 -0.5096 -0.3460 -0.3416 0.2072 0.2118 0.2848 0.2891 3.6135 3.6284 3.7098 3.7160 3.9536 3.9687 4.1676 4.1812 4.2344 4.2395 4.4201 4.4363 4.4953 4.5142 4.5599 4.5835 5.0729 5.0970 5.2056 5.2775 5.3166 5.3270 5.3519 5.3895 5.5615 5.5890 5.6348 5.6590 5.7070 5.7293 6.0331 6.0590 6.1372 6.1485 6.1829 6.1833 6.2527 6.2844 6.3142 6.3685 6.4276 6.4573 6.5354 6.5677 6.5951 6.6367 6.6854 6.7174 6.9416 7.0164 7.0531 7.1239 7.2575 7.2701 7.3673 7.3896 7.6514 7.6651 7.8272 7.8345 7.9953 8.0106 8.6530 8.6920 9.3571 9.4155 9.5565 9.6324 9.8160 9.8567 10.3722 10.4011 10.6413 10.7238 10.8771 10.9344 11.1506 11.2201 11.4986 11.5499 11.9186 12.0043 12.1943 12.2254 k = 0.3194 0.3194-0.0000 ( 6484 PWs) bands (ev): -4.5601 -4.5599 -4.2128 -4.2123 -3.9790 -3.9782 -3.8803 -3.8799 -0.5031 -0.4998 -0.3137 -0.3088 0.2026 0.2076 0.2904 0.2949 3.6170 3.6325 3.7196 3.7264 3.9531 3.9680 4.1961 4.2145 4.2447 4.2503 4.4285 4.4454 4.5015 4.5228 4.5769 4.6018 5.0251 5.0538 5.1775 5.2543 5.2709 5.2989 5.3379 5.3601 5.5448 5.5733 5.6084 5.6514 5.7183 5.7406 6.0351 6.0608 6.1397 6.1576 6.1840 6.1890 6.2523 6.2881 6.3196 6.3691 6.4207 6.4463 6.5224 6.5531 6.5868 6.6369 6.6732 6.7063 6.9383 7.0130 7.0491 7.1162 7.2680 7.2808 7.3906 7.4151 7.6328 7.6540 7.7691 7.7854 7.9659 7.9828 8.6264 8.6628 9.3164 9.3746 9.5013 9.5820 9.8540 9.9002 10.4293 10.4571 10.6200 10.6927 10.9036 10.9602 11.1924 11.2771 11.5623 11.6069 11.9129 11.9941 12.1899 12.2227 k = 0.3056 0.3056-0.0000 ( 6496 PWs) bands (ev): -4.5885 -4.5883 -4.2026 -4.2020 -3.9763 -3.9754 -3.8738 -3.8734 -0.4923 -0.4888 -0.2803 -0.2749 0.1977 0.2032 0.2955 0.3002 3.6225 3.6386 3.7309 3.7384 3.9500 3.9644 4.2215 4.2446 4.2586 4.2648 4.4358 4.4534 4.5069 4.5307 4.5960 4.6214 4.9806 5.0152 5.1446 5.2077 5.2294 5.2670 5.3366 5.3500 5.5185 5.5662 5.5845 5.6465 5.7322 5.7529 6.0370 6.0623 6.1417 6.1654 6.1853 6.1947 6.2511 6.2915 6.3249 6.3681 6.4139 6.4370 6.5103 6.5393 6.5794 6.6376 6.6611 6.6952 6.9317 7.0040 7.0403 7.1037 7.2742 7.2894 7.4013 7.4324 7.6086 7.6423 7.7157 7.7463 7.9437 7.9602 8.5969 8.6306 9.2746 9.3315 9.4469 9.5302 9.8918 9.9398 10.4828 10.5155 10.6069 10.6758 10.9169 10.9780 11.2322 11.3308 11.6271 11.6613 11.9140 11.9904 12.1889 12.2269 k = 0.2917 0.2917-0.0000 ( 6500 PWs) bands (ev): -4.6165 -4.6163 -4.1918 -4.1912 -3.9735 -3.9726 -3.8683 -3.8679 -0.4803 -0.4765 -0.2460 -0.2401 0.1927 0.1988 0.2997 0.3046 3.6298 3.6463 3.7433 3.7517 3.9453 3.9589 4.2443 4.2707 4.2752 4.2820 4.4415 4.4594 4.5117 4.5376 4.6168 4.6415 4.9411 4.9833 5.1083 5.1487 5.1987 5.2295 5.3413 5.3501 5.4911 5.5580 5.5677 5.6434 5.7473 5.7655 6.0387 6.0636 6.1431 6.1712 6.1877 6.2002 6.2487 6.2948 6.3301 6.3654 6.4071 6.4295 6.4992 6.5266 6.5731 6.6385 6.6493 6.6844 6.9213 6.9890 7.0277 7.0877 7.2743 7.2940 7.3976 7.4360 7.5769 7.6142 7.6823 7.7237 7.9314 7.9464 8.5660 8.5972 9.2320 9.2868 9.3938 9.4785 9.9197 9.9661 10.5127 10.5669 10.6215 10.6978 10.9174 10.9856 11.2709 11.3809 11.6909 11.7127 11.9186 11.9924 12.1931 12.2421 k = 0.2778 0.2778-0.0000 ( 6496 PWs) bands (ev): -4.6439 -4.6438 -4.1805 -4.1799 -3.9706 -3.9697 -3.8638 -3.8634 -0.4671 -0.4630 -0.2115 -0.2049 0.1876 0.1944 0.3030 0.3081 3.6387 3.6554 3.7563 3.7658 3.9396 3.9522 4.2651 4.2923 4.2932 4.3009 4.4453 4.4627 4.5166 4.5438 4.6385 4.6613 4.9072 4.9591 5.0714 5.0935 5.1657 5.1902 5.3492 5.3569 5.4660 5.5433 5.5625 5.6419 5.7627 5.7782 6.0403 6.0647 6.1439 6.1746 6.1915 6.2054 6.2452 6.2978 6.3350 6.3614 6.3998 6.4236 6.4894 6.5151 6.5675 6.6376 6.6394 6.6738 6.9069 6.9682 7.0121 7.0687 7.2642 7.2905 7.3832 7.4233 7.5409 7.5647 7.6751 7.7171 7.9304 7.9438 8.5343 8.5633 9.1892 9.2415 9.3424 9.4276 9.9284 9.9704 10.5303 10.5863 10.6895 10.7595 10.9088 10.9838 11.3094 11.4273 11.7491 11.7630 11.9223 11.9988 12.2042 12.2708 k = 0.2639 0.2639-0.0000 ( 6492 PWs) bands (ev): -4.6708 -4.6706 -4.1688 -4.1682 -3.9678 -3.9668 -3.8603 -3.8599 -0.4526 -0.4483 -0.1769 -0.1696 0.1828 0.1904 0.3051 0.3103 3.6487 3.6653 3.7695 3.7799 3.9333 3.9448 4.2846 4.3105 4.3116 4.3199 4.4469 4.4629 4.5224 4.5499 4.6600 4.6800 4.8789 4.9419 5.0348 5.0466 5.1308 5.1492 5.3582 5.3704 5.4448 5.5311 5.5600 5.6417 5.7781 5.7906 6.0417 6.0657 6.1441 6.1763 6.1961 6.2102 6.2408 6.3004 6.3394 6.3565 6.3922 6.4187 6.4810 6.5049 6.5626 6.6262 6.6401 6.6636 6.8884 6.9423 6.9945 7.0473 7.2376 7.2721 7.3682 7.4006 7.5009 7.5100 7.6807 7.7217 7.9400 7.9523 8.5022 8.5294 9.1468 9.1960 9.2928 9.3778 9.9115 9.9484 10.5563 10.6113 10.7769 10.8405 10.8960 10.9757 11.3479 11.4699 11.7955 11.8148 11.9227 12.0092 12.2232 12.3114 k = 0.2500 0.2500-0.0000 ( 6500 PWs) bands (ev): -4.6969 -4.6967 -4.1568 -4.1561 -3.9650 -3.9640 -3.8578 -3.8574 -0.4368 -0.4323 -0.1429 -0.1348 0.1785 0.1869 0.3057 0.3112 3.6594 3.6757 3.7823 3.7933 3.9266 3.9368 4.3028 4.3263 4.3302 4.3381 4.4465 4.4608 4.5300 4.5564 4.6803 4.6966 4.8548 4.9280 4.9966 5.0166 5.0954 5.1068 5.3681 5.3886 5.4290 5.5236 5.5585 5.6429 5.7931 5.8024 6.0426 6.0664 6.1438 6.1769 6.2006 6.2141 6.2355 6.3020 6.3430 6.3514 6.3842 6.4143 6.4737 6.4961 6.5581 6.6149 6.6398 6.6542 6.8659 6.9123 6.9753 7.0232 7.1925 7.2355 7.3581 7.3783 7.4504 7.4623 7.6935 7.7332 7.9574 7.9694 8.4700 8.4958 9.1051 9.1511 9.2453 9.3292 9.8694 9.9028 10.5937 10.6501 10.8629 10.8930 10.9299 10.9678 11.3865 11.5092 11.8302 11.8635 11.9192 12.0255 12.2496 12.3581 k = 0.2361 0.2361-0.0000 ( 6492 PWs) bands (ev): -4.7221 -4.7220 -4.1444 -4.1437 -3.9623 -3.9612 -3.8562 -3.8557 -0.4197 -0.4150 -0.1101 -0.1010 0.1750 0.1845 0.3049 0.3105 3.6704 3.6859 3.7938 3.8052 3.9193 3.9282 4.3198 4.3414 4.3476 4.3563 4.4446 4.4590 4.5393 4.5638 4.6983 4.7106 4.8334 4.9097 4.9683 4.9984 5.0602 5.0661 5.3770 5.4062 5.4249 5.5217 5.5580 5.6456 5.8073 5.8137 6.0427 6.0669 6.1433 6.1771 6.2044 6.2170 6.2298 6.3023 6.3440 6.3483 6.3766 6.4100 6.4676 6.4884 6.5538 6.6039 6.6353 6.6483 6.8403 6.8794 6.9552 6.9958 7.1346 7.1866 7.3441 7.3586 7.3986 7.4213 7.7112 7.7489 7.9795 7.9918 8.4377 8.4624 9.0647 9.1073 9.1998 9.2821 9.8079 9.8394 10.6338 10.6904 10.8798 10.9660 10.9748 11.0256 11.4256 11.5455 11.8508 11.9050 11.9162 12.0504 12.2811 12.4016 k = 0.2222 0.2222-0.0000 ( 6492 PWs) bands (ev): -4.7464 -4.7463 -4.1318 -4.1311 -3.9596 -3.9585 -3.8555 -3.8550 -0.4014 -0.3964 -0.0792 -0.0690 0.1729 0.1837 0.3025 0.3082 3.6811 3.6954 3.8032 3.8147 3.9110 3.9187 4.3356 4.3569 4.3638 4.3751 4.4433 4.4601 4.5495 4.5720 4.7133 4.7216 4.8140 4.8839 4.9498 4.9879 5.0192 5.0408 5.3804 5.4125 5.4453 5.5262 5.5587 5.6499 5.8196 5.8251 6.0416 6.0671 6.1427 6.1769 6.2067 6.2174 6.2251 6.3007 6.3395 6.3499 6.3695 6.4055 6.4623 6.4817 6.5495 6.5927 6.6249 6.6469 6.8123 6.8445 6.9332 6.9645 7.0707 7.1350 7.3089 7.3324 7.3628 7.3922 7.7322 7.7674 8.0035 8.0167 8.4055 8.4295 9.0260 9.0651 9.1564 9.2364 9.7337 9.7641 10.6626 10.7143 10.9062 10.9862 11.0731 11.1216 11.4657 11.5798 11.8568 11.9019 11.9542 12.0829 12.3143 12.4309 k = 0.2083 0.2083-0.0000 ( 6492 PWs) bands (ev): -4.7697 -4.7695 -4.1189 -4.1183 -3.9570 -3.9559 -3.8556 -3.8551 -0.3818 -0.3766 -0.0512 -0.0399 0.1731 0.1851 0.2982 0.3042 3.6909 3.7039 3.8099 3.8212 3.9011 3.9078 4.3508 4.3738 4.3798 4.3944 4.4457 4.4653 4.5602 4.5809 4.7240 4.7300 4.7977 4.8580 4.9263 4.9719 4.9901 5.0323 5.3788 5.4200 5.4746 5.5379 5.5610 5.6566 5.8293 5.8371 6.0385 6.0664 6.1423 6.1763 6.2060 6.2151 6.2234 6.2969 6.3340 6.3522 6.3630 6.4009 6.4576 6.4755 6.5450 6.5808 6.6110 6.6462 6.7838 6.8084 6.9046 6.9302 7.0075 7.0884 7.2614 7.2853 7.3480 7.3736 7.7553 7.7876 8.0276 8.0419 8.3736 8.3970 8.9893 9.0249 9.1150 9.1923 9.6523 9.6817 10.6704 10.7159 10.9594 11.0319 11.1705 11.2172 11.5081 11.6132 11.8527 11.8924 11.9969 12.1192 12.3458 12.4437 k = 0.1944 0.1944-0.0000 ( 6496 PWs) bands (ev): -4.7918 -4.7917 -4.1059 -4.1053 -3.9546 -3.9535 -3.8565 -3.8560 -0.3609 -0.3555 -0.0269 -0.0148 0.1764 0.1896 0.2922 0.2984 3.6996 3.7109 3.8132 3.8240 3.8893 3.8952 4.3666 4.3931 4.3964 4.4146 4.4536 4.4751 4.5705 4.5897 4.7282 4.7367 4.7865 4.8371 4.8945 4.9340 4.9912 5.0354 5.3770 5.4281 5.5059 5.5559 5.5656 5.6662 5.8369 5.8490 6.0328 6.0644 6.1423 6.1752 6.2007 6.2136 6.2224 6.2913 6.3282 6.3544 6.3562 6.3966 6.4533 6.4697 6.5398 6.5668 6.5944 6.6447 6.7565 6.7725 6.8635 6.8916 6.9562 7.0505 7.2128 7.2347 7.3340 7.3571 7.7799 7.8090 8.0503 8.0658 8.3422 8.3653 8.9549 8.9872 9.0758 9.1497 9.5676 9.5960 10.6615 10.7031 11.0284 11.0971 11.2621 11.3095 11.5549 11.6472 11.8427 11.8839 12.0384 12.1561 12.3738 12.4482 k = 0.1806 0.1806-0.0000 ( 6497 PWs) bands (ev): -4.8127 -4.8126 -4.0928 -4.0922 -3.9523 -3.9512 -3.8582 -3.8577 -0.3389 -0.3333 -0.0074 0.0052 0.1838 0.1977 0.2844 0.2909 3.7067 3.7162 3.8127 3.8231 3.8753 3.8807 4.3841 4.4126 4.4174 4.4365 4.4673 4.4896 4.5796 4.5976 4.7274 4.7409 4.7799 4.8235 4.8597 4.8984 4.9969 5.0435 5.3772 5.4354 5.5360 5.5738 5.5783 5.6799 5.8426 5.8603 6.0236 6.0599 6.1427 6.1739 6.1934 6.2119 6.2210 6.2842 6.3228 6.3471 6.3569 6.3930 6.4492 6.4640 6.5330 6.5476 6.5769 6.6410 6.7292 6.7415 6.8131 6.8418 6.9266 7.0211 7.1672 7.1861 7.3166 7.3384 7.8051 7.8310 8.0707 8.0872 8.3117 8.3345 8.9230 8.9523 9.0388 9.1088 9.4826 9.5098 10.6443 10.6827 11.1032 11.1707 11.3431 11.3947 11.6077 11.6835 11.8296 11.8810 12.0785 12.1919 12.3976 12.4519 k = 0.1667 0.1667-0.0000 ( 6501 PWs) bands (ev): -4.8323 -4.8322 -4.0797 -4.0791 -3.9501 -3.9490 -3.8606 -3.8601 -0.3158 -0.3100 0.0070 0.0193 0.1953 0.2095 0.2750 0.2820 3.7121 3.7199 3.8086 3.8184 3.8592 3.8644 4.4037 4.4327 4.4433 4.4606 4.4864 4.5088 4.5870 4.6038 4.7252 4.7423 4.7738 4.8170 4.8265 4.8697 5.0032 5.0525 5.3801 5.4421 5.5599 5.5887 5.6023 5.6983 5.8464 5.8707 6.0105 6.0516 6.1435 6.1723 6.1863 6.2081 6.2195 6.2760 6.3180 6.3356 6.3582 6.3905 6.4452 6.4580 6.5158 6.5281 6.5619 6.6329 6.6988 6.7213 6.7596 6.7918 6.9104 6.9982 7.1262 7.1416 7.2950 7.3161 7.8304 7.8531 8.0881 8.1051 8.2827 8.3051 8.8939 8.9204 9.0041 9.0698 9.3994 9.4252 10.6241 10.6591 11.1772 11.2444 11.4099 11.4671 11.6618 11.7261 11.8159 11.8915 12.1176 12.2257 12.4182 12.4598 k = 0.1528 0.1528-0.0000 ( 6501 PWs) bands (ev): -4.8505 -4.8504 -4.0666 -4.0660 -3.9481 -3.9470 -3.8637 -3.8632 -0.2917 -0.2856 0.0166 0.0279 0.2093 0.2239 0.2647 0.2729 3.7157 3.7218 3.8011 3.8105 3.8414 3.8467 4.4248 4.4549 4.4702 4.4883 4.5108 4.5332 4.5922 4.6080 4.7233 4.7426 4.7635 4.7961 4.8185 4.8513 5.0086 5.0606 5.3859 5.4489 5.5759 5.6090 5.6275 5.7208 5.8479 5.8800 5.9931 6.0384 6.1446 6.1697 6.1815 6.2014 6.2182 6.2669 6.3129 6.3220 6.3577 6.3883 6.4411 6.4511 6.4819 6.5167 6.5494 6.6177 6.6707 6.6937 6.7221 6.7515 6.9002 6.9802 7.0904 7.1025 7.2692 7.2898 7.8551 7.8747 8.1017 8.1189 8.2558 8.2775 8.8676 8.8917 8.9717 9.0328 9.3195 9.3439 10.6034 10.6345 11.2458 11.3129 11.4623 11.5223 11.6965 11.7739 11.8170 11.9252 12.1570 12.2578 12.4377 12.4737 k = 0.1389 0.1389-0.0000 ( 6501 PWs) bands (ev): -4.8674 -4.8673 -4.0536 -4.0530 -3.9462 -3.9452 -3.8675 -3.8670 -0.2665 -0.2603 0.0221 0.0320 0.2203 0.2350 0.2580 0.2681 3.7176 3.7223 3.7911 3.8001 3.8226 3.8280 4.4462 4.4769 4.4961 4.5211 4.5399 4.5629 4.5954 4.6109 4.7180 4.7423 4.7495 4.7790 4.8217 4.8434 5.0124 5.0663 5.3948 5.4562 5.5888 5.6284 5.6534 5.7450 5.8466 5.8878 5.9720 6.0196 6.1454 6.1654 6.1805 6.1914 6.2171 6.2573 6.3019 6.3119 6.3532 6.3840 6.4350 6.4403 6.4532 6.5042 6.5380 6.5967 6.6409 6.6494 6.7128 6.7277 6.8940 6.9660 7.0596 7.0701 7.2398 7.2598 7.8784 7.8951 8.1112 8.1280 8.2317 8.2524 8.8441 8.8663 8.9421 8.9981 9.2440 9.2672 10.5834 10.6104 11.3061 11.3729 11.5025 11.5602 11.7057 11.7715 11.8890 11.9840 12.1985 12.2894 12.4585 12.4926 k = 0.1250 0.1250-0.0000 ( 6507 PWs) bands (ev): -4.8828 -4.8827 -4.0406 -4.0401 -3.9446 -3.9436 -3.8719 -3.8714 -0.2405 -0.2341 0.0247 0.0332 0.2182 0.2289 0.2679 0.2760 3.7179 3.7213 3.7791 3.7878 3.8035 3.8091 4.4665 4.4960 4.5220 4.5552 4.5730 4.5940 4.5999 4.6151 4.7066 4.7266 4.7539 4.7773 4.8267 4.8426 5.0144 5.0690 5.4067 5.4644 5.6004 5.6466 5.6778 5.7676 5.8409 5.8930 5.9491 5.9951 6.1452 6.1602 6.1776 6.1825 6.2159 6.2472 6.2862 6.3046 6.3407 6.3744 6.4173 6.4335 6.4433 6.4916 6.5257 6.5746 6.6010 6.6153 6.7069 6.7244 6.8909 6.9549 7.0335 7.0443 7.2076 7.2267 7.8996 7.9133 8.1165 8.1322 8.2115 8.2303 8.8236 8.8443 8.9152 8.9662 9.1736 9.1962 10.5648 10.5877 11.3567 11.4225 11.5326 11.5837 11.7008 11.7558 11.9839 12.0594 12.2439 12.3226 12.4817 12.5144 k = 0.1111 0.1111-0.0000 ( 6515 PWs) bands (ev): -4.8967 -4.8966 -4.0279 -4.0274 -3.9430 -3.9422 -3.8769 -3.8764 -0.2137 -0.2072 0.0253 0.0324 0.2050 0.2134 0.2861 0.2926 3.7169 3.7193 3.7660 3.7745 3.7847 3.7905 4.4848 4.5116 4.5454 4.5786 4.5997 4.6093 4.6221 4.6348 4.6992 4.7146 4.7657 4.7852 4.8321 4.8459 5.0145 5.0683 5.4212 5.4732 5.6094 5.6656 5.6991 5.7849 5.8290 5.8935 5.9286 5.9662 6.1413 6.1538 6.1657 6.1846 6.2140 6.2369 6.2720 6.2924 6.3224 6.3629 6.4053 6.4247 6.4409 6.4807 6.5113 6.5546 6.5657 6.5833 6.7070 6.7309 6.8907 6.9467 7.0125 7.0244 7.1736 7.1917 7.9175 7.9284 8.1179 8.1322 8.1954 8.2114 8.8061 8.8259 8.8913 8.9374 9.1087 9.1316 10.5479 10.5669 11.3978 11.4618 11.5539 11.5960 11.6898 11.7394 12.0826 12.1424 12.2935 12.3589 12.5067 12.5370 k = 0.0972 0.0972-0.0000 ( 6511 PWs) bands (ev): -4.9091 -4.9090 -4.0154 -4.0149 -3.9417 -3.9409 -3.8826 -3.8821 -0.1862 -0.1795 0.0246 0.0305 0.1872 0.1948 0.3055 0.3110 3.7149 3.7164 3.7527 3.7611 3.7669 3.7729 4.5009 4.5248 4.5614 4.5843 4.6024 4.6263 4.6474 4.6733 4.7047 4.7241 4.7805 4.7990 4.8378 4.8522 5.0129 5.0640 5.4377 5.4824 5.6142 5.6864 5.7166 5.7927 5.8103 5.8862 5.9151 5.9363 6.1292 6.1462 6.1599 6.1865 6.2101 6.2282 6.2604 6.2759 6.3092 6.3506 6.3940 6.4111 6.4424 6.4722 6.4952 6.5358 6.5404 6.5547 6.7134 6.7418 6.8930 6.9410 6.9964 7.0092 7.1391 7.1559 7.9311 7.9395 8.1166 8.1300 8.1828 8.1956 8.7916 8.8110 8.8705 8.9122 9.0496 9.0737 10.5330 10.5484 11.4307 11.4915 11.5673 11.5994 11.6765 11.7239 12.1798 12.2264 12.3463 12.3986 12.5321 12.5591 k = 0.0833 0.0833-0.0000 ( 6521 PWs) bands (ev): -4.9198 -4.9198 -4.0031 -4.0027 -3.9406 -3.9398 -3.8887 -3.8883 -0.1582 -0.1514 0.0234 0.0281 0.1667 0.1740 0.3240 0.3285 3.7121 3.7130 3.7399 3.7480 3.7506 3.7568 4.5148 4.5358 4.5687 4.5838 4.6001 4.6170 4.6859 4.7142 4.7217 4.7555 4.7975 4.8177 4.8440 4.8620 5.0097 5.0567 5.4543 5.4918 5.6135 5.7080 5.7287 5.7769 5.7983 5.8727 5.9054 5.9136 6.1137 6.1353 6.1582 6.1863 6.2055 6.2241 6.2509 6.2633 6.2993 6.3361 6.3782 6.3922 6.4454 6.4658 6.4813 6.5165 6.5255 6.5320 6.7248 6.7551 6.8979 6.9379 6.9847 6.9976 7.1055 7.1208 7.9394 7.9457 8.1150 8.1280 8.1721 8.1819 8.7802 8.7997 8.8528 8.8907 8.9963 9.0228 10.5202 10.5324 11.4571 11.5132 11.5739 11.5963 11.6634 11.7098 12.2717 12.3063 12.4000 12.4408 12.5569 12.5796 k = 0.0694 0.0694-0.0000 ( 6509 PWs) bands (ev): -4.9290 -4.9290 -3.9912 -3.9908 -3.9396 -3.9390 -3.8955 -3.8951 -0.1298 -0.1228 0.0218 0.0255 0.1444 0.1515 0.3407 0.3444 3.7087 3.7096 3.7281 3.7352 3.7371 3.7427 4.5267 4.5451 4.5707 4.5820 4.5936 4.6044 4.7229 4.7415 4.7585 4.7863 4.8183 4.8398 4.8540 4.8771 5.0056 5.0468 5.4680 5.5013 5.6081 5.7236 5.7282 5.7509 5.7924 5.8583 5.8951 5.9043 6.1004 6.1211 6.1584 6.1840 6.2045 6.2230 6.2427 6.2559 6.2899 6.3202 6.3572 6.3679 6.4485 6.4606 6.4729 6.5012 6.5137 6.5167 6.7397 6.7692 6.9051 6.9371 6.9767 6.9890 7.0740 7.0876 7.9424 7.9472 8.1151 8.1275 8.1622 8.1696 8.7724 8.7919 8.8381 8.8733 8.9489 8.9787 10.5095 10.5189 11.4784 11.5278 11.5748 11.5893 11.6522 11.6971 12.3535 12.3768 12.4531 12.4854 12.5802 12.5982 k = 0.0556 0.0556-0.0000 ( 6513 PWs) bands (ev): -4.9366 -4.9365 -3.9796 -3.9793 -3.9388 -3.9383 -3.9028 -3.9024 -0.1011 -0.0939 0.0204 0.0230 0.1205 0.1276 0.3550 0.3579 3.7051 3.7063 3.7179 3.7230 3.7266 3.7310 4.5367 4.5526 4.5699 4.5799 4.5861 4.5926 4.7554 4.7682 4.7901 4.8064 4.8402 4.8586 4.8787 4.8998 5.0010 5.0353 5.4752 5.5096 5.6015 5.7038 5.7209 5.7339 5.8002 5.8521 5.8903 5.8981 6.0903 6.1076 6.1590 6.1804 6.2058 6.2223 6.2358 6.2516 6.2810 6.3043 6.3336 6.3398 6.4513 6.4570 6.4689 6.4887 6.5049 6.5072 6.7563 6.7828 6.9143 6.9388 6.9716 6.9825 7.0453 7.0574 7.9411 7.9450 8.1176 8.1285 8.1529 8.1583 8.7683 8.7877 8.8261 8.8600 8.9073 8.9412 10.5009 10.5079 11.4959 11.5366 11.5708 11.5810 11.6446 11.6858 12.4193 12.4326 12.5052 12.5325 12.6012 12.6148 k = 0.0417 0.0417-0.0000 ( 6517 PWs) bands (ev): -4.9424 -4.9424 -3.9684 -3.9681 -3.9381 -3.9377 -3.9107 -3.9103 -0.0723 -0.0650 0.0191 0.0208 0.0954 0.1024 0.3666 0.3687 3.7018 3.7032 3.7096 3.7130 3.7184 3.7218 4.5449 4.5587 4.5678 4.5777 4.5798 4.5831 4.7810 4.7932 4.8102 4.8182 4.8546 4.8815 4.9114 4.9289 4.9965 5.0235 5.4755 5.5105 5.6006 5.6768 5.6993 5.7149 5.8221 5.8570 5.8880 5.8934 6.0833 6.0969 6.1592 6.1752 6.2080 6.2208 6.2311 6.2483 6.2735 6.2901 6.3092 6.3133 6.4535 6.4555 6.4664 6.4785 6.4998 6.5011 6.7727 6.7942 6.9251 6.9430 6.9689 6.9775 7.0203 7.0307 7.9375 7.9405 8.1216 8.1303 8.1446 8.1484 8.7684 8.7867 8.8165 8.8509 8.8715 8.9099 10.4944 10.4994 11.5108 11.5408 11.5636 11.5729 11.6414 11.6756 12.4648 12.4719 12.5563 12.5789 12.6192 12.6289 k = 0.0278 0.0278-0.0000 ( 6517 PWs) bands (ev): -4.9467 -4.9466 -3.9576 -3.9573 -3.9376 -3.9374 -3.9190 -3.9187 -0.0435 -0.0360 0.0183 0.0190 0.0694 0.0761 0.3751 0.3765 3.6992 3.7005 3.7036 3.7055 3.7127 3.7152 4.5513 4.5626 4.5659 4.5747 4.5756 4.5767 4.8005 4.8109 4.8219 4.8245 4.8683 4.9003 4.9435 4.9568 4.9933 5.0124 5.4721 5.5003 5.6102 5.6568 5.6759 5.6919 5.8465 5.8671 5.8858 5.8904 6.0792 6.0888 6.1585 6.1685 6.2106 6.2195 6.2282 6.2438 6.2685 6.2786 6.2871 6.2938 6.4550 6.4562 6.4641 6.4704 6.4970 6.4975 6.7869 6.8022 6.9369 6.9499 6.9682 6.9733 6.9991 7.0078 7.9335 7.9356 8.1260 8.1320 8.1381 8.1405 8.7731 8.7884 8.8088 8.8412 8.8465 8.8849 10.4900 10.4933 11.5236 11.5425 11.5559 11.5645 11.6421 11.6665 12.4925 12.4968 12.6012 12.6175 12.6334 12.6399 k = 0.0139 0.0139-0.0000 ( 6505 PWs) bands (ev): -4.9492 -4.9492 -3.9472 -3.9470 -3.9373 -3.9372 -3.9279 -3.9277 -0.0152 -0.0073 0.0172 0.0183 0.0428 0.0490 0.3804 0.3811 3.6978 3.6986 3.6998 3.7006 3.7097 3.7111 4.5561 4.5615 4.5681 4.5715 4.5727 4.5736 4.8150 4.8201 4.8254 4.8276 4.8845 4.9064 4.9702 4.9773 4.9923 5.0017 5.4701 5.4855 5.6270 5.6466 5.6574 5.6688 5.8673 5.8758 5.8836 5.8874 6.0778 6.0828 6.1575 6.1620 6.2147 6.2204 6.2256 6.2344 6.2673 6.2714 6.2755 6.2799 6.4568 6.4579 6.4619 6.4643 6.4957 6.4958 6.7978 6.8057 6.9489 6.9599 6.9687 6.9693 6.9825 6.9887 7.9306 7.9318 8.1298 8.1325 8.1341 8.1352 8.7825 8.7921 8.8024 8.8164 8.8471 8.8660 10.4877 10.4893 11.5351 11.5435 11.5497 11.5554 11.6458 11.6584 12.5077 12.5100 12.6331 12.6412 12.6435 12.6465 k = 0.0000 0.0000 0.0000 ( 6451 PWs) bands (ev): -4.9500 -4.9500 -3.9374 -3.9374 -3.9371 -3.9371 -3.9371 -3.9371 0.0104 0.0104 0.0211 0.0211 0.0211 0.0211 0.3824 0.3824 3.6982 3.6982 3.6982 3.6982 3.7094 3.7094 4.5593 4.5593 4.5710 4.5710 4.5710 4.5710 4.8244 4.8244 4.8244 4.8244 4.8993 4.8993 4.9888 4.9888 4.9888 4.9888 5.4741 5.4741 5.6470 5.6470 5.6471 5.6471 5.8809 5.8809 5.8809 5.8809 6.0791 6.0791 6.1581 6.1581 6.2228 6.2228 6.2229 6.2229 6.2710 6.2710 6.2711 6.2711 6.4599 6.4599 6.4599 6.4599 6.4954 6.4954 6.8043 6.8043 6.9606 6.9606 6.9729 6.9729 6.9730 6.9730 7.9300 7.9300 8.1325 8.1325 8.1325 8.1325 8.7970 8.7970 8.7970 8.7970 8.8535 8.8535 10.4875 10.4875 11.5456 11.5456 11.5456 11.5456 11.6514 11.6514 12.5134 12.5134 12.6474 12.6474 12.6474 12.6474 k = 0.0000 0.0000 0.0000 ( 6451 PWs) bands (ev): -4.9500 -4.9500 -3.9374 -3.9374 -3.9371 -3.9371 -3.9371 -3.9371 0.0104 0.0104 0.0211 0.0211 0.0211 0.0211 0.3824 0.3824 3.6982 3.6982 3.6982 3.6982 3.7094 3.7094 4.5593 4.5593 4.5710 4.5710 4.5710 4.5710 4.8244 4.8244 4.8244 4.8244 4.8993 4.8993 4.9888 4.9888 4.9888 4.9888 5.4741 5.4741 5.6470 5.6470 5.6471 5.6471 5.8809 5.8809 5.8809 5.8809 6.0791 6.0791 6.1581 6.1581 6.2228 6.2228 6.2229 6.2229 6.2710 6.2710 6.2711 6.2711 6.4599 6.4599 6.4599 6.4599 6.4954 6.4954 6.8043 6.8043 6.9606 6.9606 6.9729 6.9729 6.9730 6.9730 7.9300 7.9300 8.1325 8.1325 8.1325 8.1325 8.7970 8.7970 8.7970 8.7970 8.8535 8.8535 10.4875 10.4875 11.5456 11.5456 11.5456 11.5456 11.6514 11.6514 12.5134 12.5134 12.6474 12.6474 12.6474 12.6474 k = 0.0114 0.0114 0.0114 ( 6505 PWs) bands (ev): -4.9492 -4.9492 -3.9472 -3.9470 -3.9374 -3.9373 -3.9278 -3.9276 -0.0153 -0.0073 0.0173 0.0182 0.0429 0.0490 0.3804 0.3811 3.6978 3.6987 3.7001 3.7002 3.7098 3.7111 4.5560 4.5616 4.5679 4.5721 4.5725 4.5735 4.8154 4.8198 4.8246 4.8282 4.8852 4.9057 4.9727 4.9746 4.9919 5.0022 5.4699 5.4858 5.6261 5.6521 5.6529 5.6686 5.8697 5.8741 5.8819 5.8883 6.0778 6.0828 6.1574 6.1621 6.2147 6.2226 6.2230 6.2348 6.2676 6.2710 6.2759 6.2796 6.4570 6.4575 6.4623 6.4641 6.4957 6.4958 6.7978 6.8057 6.9490 6.9609 6.9677 6.9684 6.9830 6.9889 7.9307 7.9318 8.1303 8.1328 8.1337 8.1348 8.7823 8.7928 8.8016 8.8168 8.8471 8.8661 10.4877 10.4893 11.5349 11.5442 11.5490 11.5556 11.6458 11.6584 12.5077 12.5101 12.6346 12.6409 12.6436 12.6450 k = 0.0227 0.0227 0.0227 ( 6517 PWs) bands (ev): -4.9466 -4.9466 -3.9574 -3.9571 -3.9379 -3.9379 -3.9188 -3.9186 -0.0437 -0.0361 0.0183 0.0190 0.0696 0.0762 0.3751 0.3764 3.6991 3.7014 3.7039 3.7046 3.7129 3.7150 4.5508 4.5639 4.5642 4.5755 4.5757 4.5766 4.8011 4.8133 4.8155 4.8273 4.8737 4.8945 4.9420 4.9621 4.9901 5.0120 5.4715 5.5034 5.6082 5.6666 5.6691 5.6883 5.8572 5.8620 5.8791 5.8916 6.0794 6.0887 6.1581 6.1695 6.2120 6.2217 6.2240 6.2442 6.2732 6.2763 6.2858 6.2934 6.4552 6.4556 6.4650 6.4700 6.4971 6.4974 6.7870 6.8020 6.9377 6.9532 6.9639 6.9713 7.0003 7.0090 7.9337 7.9359 8.1281 8.1345 8.1363 8.1373 8.7730 8.7896 8.8070 8.8421 8.8464 8.8850 10.4900 10.4933 11.5232 11.5436 11.5545 11.5650 11.6421 11.6666 12.4931 12.4976 12.6062 12.6237 12.6258 12.6339 k = 0.0341 0.0341 0.0341 ( 6517 PWs) bands (ev): -4.9424 -4.9424 -3.9678 -3.9676 -3.9389 -3.9387 -3.9103 -3.9101 -0.0725 -0.0651 0.0190 0.0209 0.0957 0.1025 0.3665 0.3686 3.7021 3.7057 3.7089 3.7112 3.7191 3.7212 4.5437 4.5596 4.5652 4.5770 4.5813 4.5845 4.7820 4.7952 4.8054 4.8226 4.8641 4.8680 4.9015 4.9525 4.9882 5.0156 5.4775 5.5223 5.5954 5.6844 5.6949 5.7029 5.8468 5.8468 5.8759 5.8915 6.0844 6.0966 6.1574 6.1786 6.2135 6.2198 6.2261 6.2471 6.2873 6.2880 6.3008 6.3132 6.4529 6.4557 6.4678 6.4782 6.4999 6.5003 6.7729 6.7936 6.9273 6.9498 6.9611 6.9721 7.0221 7.0331 7.9389 7.9419 8.1258 8.1370 8.1397 8.1398 8.7688 8.7882 8.8139 8.8508 8.8731 8.9101 10.4944 10.4995 11.5103 11.5417 11.5613 11.5741 11.6414 11.6757 12.4695 12.4753 12.5644 12.5895 12.6028 12.6149 k = 0.0455 0.0455 0.0455 ( 6517 PWs) bands (ev): -4.9365 -4.9365 -3.9785 -3.9782 -3.9401 -3.9400 -3.9022 -3.9020 -0.1014 -0.0943 0.0201 0.0231 0.1210 0.1277 0.3549 0.3577 3.7069 3.7113 3.7152 3.7191 3.7285 3.7300 4.5345 4.5541 4.5648 4.5780 4.5893 4.5952 4.7592 4.7689 4.7934 4.8151 4.8246 4.8438 4.8775 4.9454 4.9832 5.0117 5.4878 5.5381 5.5886 5.7015 5.7100 5.7221 5.8317 5.8425 5.8756 5.8904 6.0935 6.1074 6.1544 6.1884 6.2166 6.2171 6.2288 6.2489 6.3035 6.3054 6.3195 6.3377 6.4503 6.4575 6.4710 6.4890 6.5051 6.5051 6.7570 6.7815 6.9182 6.9509 6.9597 6.9722 7.0479 7.0609 7.9455 7.9492 8.1235 8.1395 8.1424 8.1433 8.7699 8.7895 8.8227 8.8594 8.9100 8.9414 10.5010 10.5081 11.4957 11.5364 11.5683 11.5829 11.6437 11.6859 12.4365 12.4428 12.5111 12.5438 12.5734 12.5893 k = 0.0568 0.0568 0.0568 ( 6514 PWs) bands (ev): -4.9289 -4.9289 -3.9893 -3.9891 -3.9417 -3.9416 -3.8948 -3.8946 -0.1303 -0.1233 0.0215 0.0255 0.1450 0.1517 0.3404 0.3439 3.7132 3.7183 3.7225 3.7273 3.7408 3.7420 4.5232 4.5472 4.5627 4.5784 4.5978 4.6074 4.7344 4.7411 4.7604 4.7957 4.8010 4.8060 4.8773 4.9394 4.9728 5.0005 5.5027 5.5487 5.5872 5.7093 5.7131 5.7404 5.8217 5.8454 5.8794 5.8906 6.1069 6.1213 6.1502 6.1987 6.2150 6.2197 6.2324 6.2518 6.3227 6.3229 6.3396 6.3631 6.4470 6.4619 6.4749 6.5032 6.5120 6.5141 6.7410 6.7669 6.9110 6.9567 6.9599 6.9722 7.0771 7.0920 7.9527 7.9571 8.1210 8.1413 8.1451 8.1463 8.7762 8.7941 8.8339 8.8721 8.9531 8.9790 10.5097 10.5192 11.4791 11.5263 11.5736 11.5914 11.6479 11.6965 12.3945 12.3998 12.4484 12.4891 12.5393 12.5584 k = 0.0682 0.0682 0.0682 ( 6511 PWs) bands (ev): -4.9197 -4.9197 -4.0003 -4.0000 -3.9437 -3.9435 -3.8880 -3.8878 -0.1590 -0.1522 0.0229 0.0280 0.1675 0.1742 0.3234 0.3277 3.7210 3.7264 3.7306 3.7355 3.7555 3.7568 4.5097 4.5388 4.5590 4.5780 4.6022 4.6171 4.7097 4.7151 4.7156 4.7505 4.7921 4.7961 4.8791 4.9331 4.9568 4.9837 5.5220 5.5537 5.5892 5.7045 5.7159 5.7408 5.8206 5.8534 5.8861 5.8943 6.1223 6.1343 6.1503 6.2049 6.2218 6.2221 6.2377 6.2563 6.3390 6.3434 6.3581 6.3861 6.4427 6.4699 6.4806 6.5209 6.5210 6.5285 6.7270 6.7515 6.9062 6.9618 6.9672 6.9729 7.1092 7.1257 7.9599 7.9647 8.1181 8.1419 8.1479 8.1480 8.7878 8.8023 8.8478 8.8884 9.0025 9.0230 10.5207 10.5328 11.4598 11.5111 11.5758 11.5997 11.6511 11.7065 12.3437 12.3469 12.3780 12.4278 12.5037 12.5246 k = 0.0795 0.0795 0.0795 ( 6508 PWs) bands (ev): -4.9089 -4.9088 -4.0113 -4.0110 -3.9459 -3.9456 -3.8818 -3.8816 -0.1875 -0.1808 0.0241 0.0303 0.1882 0.1951 0.3043 0.3094 3.7298 3.7358 3.7392 3.7437 3.7720 3.7735 4.4939 4.5283 4.5530 4.5764 4.5926 4.6090 4.6868 4.6886 4.6958 4.7186 4.7860 4.7865 4.8805 4.9243 4.9369 4.9648 5.5440 5.5542 5.5916 5.7000 5.7086 5.7261 5.8242 5.8644 5.8934 5.9025 6.1345 6.1351 6.1644 6.2035 6.2234 6.2468 6.2472 6.2618 6.3532 6.3633 6.3730 6.4043 6.4375 6.4827 6.4892 6.5320 6.5417 6.5490 6.7169 6.7370 6.9040 6.9660 6.9745 6.9826 7.1434 7.1612 7.9659 7.9711 8.1149 8.1410 8.1484 8.1508 8.8048 8.8148 8.8646 8.9082 9.0584 9.0737 10.5339 10.5490 11.4373 11.4907 11.5733 11.6076 11.6496 11.7140 12.2847 12.2850 12.3014 12.3623 12.4704 12.4909 k = 0.0909 0.0909 0.0909 ( 6505 PWs) bands (ev): -4.8965 -4.8964 -4.0222 -4.0219 -3.9484 -3.9481 -3.8763 -3.8761 -0.2155 -0.2090 0.0245 0.0320 0.2069 0.2141 0.2838 0.2894 3.7392 3.7461 3.7483 3.7515 3.7895 3.7915 4.4756 4.5152 4.5403 4.5678 4.5719 4.5726 4.6677 4.6780 4.6936 4.7133 4.7764 4.7829 4.8813 4.9107 4.9150 4.9481 5.5515 5.5659 5.5920 5.6907 5.6985 5.7032 5.8274 5.8783 5.9008 5.9143 6.1329 6.1405 6.1794 6.2014 6.2247 6.2610 6.2679 6.2833 6.3652 6.3813 6.3840 6.4174 6.4317 6.5006 6.5024 6.5453 6.5650 6.5754 6.7118 6.7247 6.9042 6.9730 6.9778 7.0026 7.1787 7.1974 7.9697 7.9752 8.1113 8.1389 8.1475 8.1538 8.8273 8.8318 8.8840 8.9312 9.1210 9.1311 10.5493 10.5677 11.4109 11.4649 11.5645 11.6150 11.6400 11.7173 12.2155 12.2187 12.2199 12.2945 12.4433 12.4607 k = 0.1023 0.1023 0.1023 ( 6493 PWs) bands (ev): -4.8825 -4.8824 -4.0331 -4.0328 -3.9511 -3.9509 -3.8715 -3.8714 -0.2429 -0.2367 0.0239 0.0326 0.2223 0.2310 0.2634 0.2685 3.7484 3.7571 3.7582 3.7587 3.8071 3.8097 4.4548 4.4992 4.5083 4.5261 4.5507 4.5659 4.6541 4.6605 4.7111 4.7273 4.7681 4.7821 4.8815 4.8923 4.8931 4.9355 5.5467 5.5825 5.5901 5.6632 5.6773 5.6999 5.8311 5.8959 5.9093 5.9279 6.1316 6.1417 6.1892 6.2000 6.2263 6.2742 6.2786 6.3235 6.3749 6.3918 6.3962 6.4260 6.4269 6.5202 6.5221 6.5618 6.5897 6.6069 6.7122 6.7163 6.9070 6.9834 6.9835 7.0268 7.2141 7.2333 7.9700 7.9757 8.1074 8.1362 8.1462 8.1570 8.8537 8.8552 8.9060 8.9568 9.1902 9.1953 10.5665 10.5887 11.3799 11.4334 11.5479 11.6201 11.6215 11.7150 12.1348 12.1407 12.1478 12.2262 12.4246 12.4367 k = 0.1136 0.1136 0.1136 ( 6505 PWs) bands (ev): -4.8670 -4.8670 -4.0439 -4.0436 -3.9541 -3.9538 -3.8675 -3.8674 -0.2699 -0.2639 0.0213 0.0314 0.2275 0.2458 0.2474 0.2509 3.7565 3.7649 3.7686 3.7692 3.8238 3.8270 4.4316 4.4672 4.4800 4.4824 4.5405 4.5557 4.6469 4.6477 4.7296 4.7480 4.7614 4.7857 4.8726 4.8729 4.8812 4.9254 5.5390 5.5807 5.5873 5.6291 5.6603 5.7031 5.8383 5.9174 5.9193 5.9423 6.1315 6.1404 6.1950 6.1990 6.2283 6.2803 6.2957 6.3610 6.3830 6.3968 6.4075 6.4219 6.4344 6.5390 6.5458 6.5833 6.6151 6.6425 6.7134 6.7177 6.9127 6.9922 6.9978 7.0542 7.2485 7.2677 7.9658 7.9717 8.1034 8.1339 8.1453 8.1606 8.8808 8.8887 8.9301 8.9846 9.2658 9.2662 10.5852 10.6115 11.3436 11.3957 11.5218 11.5895 11.6267 11.7067 12.0476 12.0631 12.0744 12.1592 12.4144 12.4196 k = 0.1250 0.1250 0.1250 ( 6502 PWs) bands (ev): -4.8501 -4.8500 -4.0544 -4.0541 -3.9573 -3.9570 -3.8643 -3.8641 -0.2961 -0.2903 0.0160 0.0274 0.2128 0.2272 0.2569 0.2581 3.7631 3.7700 3.7802 3.7810 3.8381 3.8420 4.4064 4.4284 4.4443 4.4578 4.5307 4.5430 4.6400 4.6456 4.7434 4.7566 4.7707 4.7958 4.8548 4.8567 4.8812 4.9163 5.5239 5.5508 5.5851 5.5970 5.6620 5.7068 5.8511 5.9309 5.9410 5.9576 6.1326 6.1384 6.1986 6.1987 6.2310 6.2861 6.3096 6.3892 6.3902 6.3993 6.4157 6.4230 6.4411 6.5543 6.5709 6.6095 6.6411 6.6800 6.7177 6.7277 6.9223 7.0055 7.0160 7.0838 7.2809 7.2996 7.9563 7.9624 8.0994 8.1328 8.1458 8.1645 8.9134 8.9277 8.9558 9.0143 9.3435 9.3477 10.6046 10.6356 11.3012 11.3515 11.4861 11.5494 11.6293 11.6919 11.9599 11.9866 12.0012 12.0948 12.4084 12.4105 k = 0.1364 0.1364 0.1364 ( 6496 PWs) bands (ev): -4.8317 -4.8316 -4.0648 -4.0645 -3.9607 -3.9603 -3.8618 -3.8616 -0.3215 -0.3160 0.0071 0.0194 0.1949 0.2088 0.2656 0.2679 3.7681 3.7737 3.7916 3.7932 3.8483 3.8530 4.3807 4.3962 4.4133 4.4330 4.5204 4.5291 4.6372 4.6487 4.7509 4.7536 4.7920 4.8086 4.8411 4.8491 4.8828 4.9079 5.4930 5.5060 5.5788 5.5845 5.6710 5.7109 5.8697 5.9438 5.9612 5.9774 6.1344 6.1362 6.1990 6.2015 6.2345 6.2916 6.3201 6.3946 6.3970 6.4075 6.4218 6.4343 6.4475 6.5651 6.5970 6.6354 6.6681 6.7140 6.7301 6.7429 6.9380 7.0248 7.0373 7.1142 7.3105 7.3282 7.9416 7.9479 8.0957 8.1333 8.1482 8.1688 8.9512 8.9721 8.9828 9.0453 9.4268 9.4353 10.6237 10.6599 11.2525 11.3007 11.4420 11.5025 11.6270 11.6683 11.8746 11.9165 11.9306 12.0345 12.4002 12.4095 k = 0.1477 0.1477 0.1477 ( 6499 PWs) bands (ev): -4.8120 -4.8119 -4.0748 -4.0745 -3.9642 -3.9638 -3.8601 -3.8599 -0.3462 -0.3410 -0.0062 0.0064 0.1796 0.1933 0.2726 0.2750 3.7717 3.7760 3.8023 3.8053 3.8530 3.8581 4.3563 4.3731 4.3902 4.4065 4.5094 4.5150 4.6390 4.6549 4.7510 4.7535 4.8086 4.8133 4.8331 4.8575 4.8877 4.9007 5.4504 5.4573 5.5745 5.5863 5.6805 5.7154 5.8930 5.9574 5.9754 6.0025 6.1344 6.1366 6.2002 6.2045 6.2390 6.2966 6.3275 6.3905 6.4041 6.4150 6.4264 6.4502 6.4538 6.5724 6.6237 6.6582 6.6966 6.7374 6.7481 6.7642 6.9626 7.0510 7.0607 7.1439 7.3365 7.3526 7.9223 7.9288 8.0927 8.1353 8.1524 8.1737 8.9938 9.0103 9.0217 9.0778 9.5153 9.5280 10.6409 10.6828 11.1972 11.2439 11.3926 11.4522 11.6139 11.6317 11.7980 11.8593 11.8642 11.9793 12.3916 12.4077 k = 0.1591 0.1591 0.1591 ( 6496 PWs) bands (ev): -4.7910 -4.7909 -4.0845 -4.0842 -3.9678 -3.9674 -3.8592 -3.8591 -0.3700 -0.3650 -0.0244 -0.0122 0.1679 0.1809 0.2769 0.2793 3.7739 3.7768 3.8119 3.8170 3.8510 3.8561 4.3331 4.3604 4.3769 4.3792 4.4979 4.5012 4.6445 4.6627 4.7476 4.7523 4.8137 4.8182 4.8326 4.8752 4.8958 4.8963 5.4069 5.4108 5.5777 5.5906 5.6896 5.7207 5.9192 5.9712 5.9868 6.0281 6.1329 6.1389 6.2024 6.2080 6.2445 6.3012 6.3328 6.3853 6.4119 6.4211 6.4302 6.4601 6.4646 6.5772 6.6511 6.6790 6.7271 6.7538 6.7666 6.7837 6.9966 7.0839 7.0854 7.1718 7.3585 7.3725 7.8997 7.9063 8.0906 8.1386 8.1579 8.1789 9.0378 9.0396 9.0764 9.1123 9.6082 9.6248 10.6542 10.7024 11.1357 11.1817 11.3421 11.4027 11.5785 11.5797 11.7415 11.8029 11.8192 11.9299 12.3794 12.4015 k = 0.1705 0.1705 0.1705 ( 6490 PWs) bands (ev): -4.7688 -4.7687 -4.0938 -4.0935 -3.9715 -3.9711 -3.8591 -3.8590 -0.3928 -0.3881 -0.0470 -0.0357 0.1596 0.1715 0.2785 0.2806 3.7748 3.7763 3.8190 3.8279 3.8434 3.8467 4.3105 4.3520 4.3585 4.3745 4.4860 4.4879 4.6524 4.6707 4.7422 4.7473 4.8164 4.8215 4.8404 4.8922 4.8947 4.9061 5.3700 5.3721 5.5854 5.5976 5.6987 5.7269 5.9465 5.9850 5.9969 6.0516 6.1319 6.1411 6.2061 6.2124 6.2508 6.3055 6.3365 6.3800 6.4210 6.4269 6.4331 6.4667 6.4773 6.5802 6.6792 6.6997 6.7601 6.7677 6.7823 6.7970 7.0365 7.1110 7.1214 7.1967 7.3764 7.3876 7.8754 7.8821 8.0896 8.1428 8.1643 8.1845 9.0647 9.0852 9.1359 9.1517 9.7043 9.7247 10.6613 10.7158 11.0685 11.1148 11.2945 11.3586 11.5158 11.5166 11.7100 11.7468 11.7938 11.8870 12.3609 12.3884 k = 0.1818 0.1818 0.1818 ( 6493 PWs) bands (ev): -4.7454 -4.7453 -4.1027 -4.1024 -3.9752 -3.9749 -3.8598 -3.8597 -0.4145 -0.4101 -0.0734 -0.0633 0.1539 0.1645 0.2772 0.2791 3.7746 3.7746 3.8171 3.8308 3.8373 3.8379 4.2887 4.3258 4.3658 4.3819 4.4740 4.4751 4.6610 4.6774 4.7351 4.7399 4.8191 4.8197 4.8558 4.8989 4.9057 4.9137 5.3456 5.3463 5.5967 5.6070 5.7084 5.7343 5.9733 5.9986 6.0059 6.0722 6.1312 6.1431 6.2117 6.2179 6.2577 6.3094 6.3394 6.3747 6.4316 6.4324 6.4355 6.4734 6.4891 6.5822 6.7083 6.7207 6.7786 6.7947 6.7954 6.8068 7.0757 7.1380 7.1602 7.2180 7.3900 7.3977 7.8512 7.8577 8.0900 8.1477 8.1711 8.1903 9.0902 9.1248 9.1997 9.2001 9.8022 9.8263 10.6598 10.7201 10.9968 11.0438 11.2526 11.3249 11.4377 11.4514 11.6910 11.6954 11.7774 11.8514 12.3346 12.3667 k = 0.1932 0.1932 0.1932 ( 6493 PWs) bands (ev): -4.7210 -4.7208 -4.1111 -4.1108 -3.9790 -3.9787 -3.8613 -3.8612 -0.4353 -0.4311 -0.1026 -0.0937 0.1496 0.1589 0.2730 0.2746 3.7718 3.7737 3.8004 3.8102 3.8400 3.8468 4.2688 4.3012 4.3797 4.3961 4.4620 4.4628 4.6686 4.6813 4.7270 4.7313 4.8125 4.8158 4.8778 4.9101 4.9187 4.9196 5.3369 5.3371 5.6111 5.6188 5.7194 5.7431 5.9983 6.0117 6.0142 6.0893 6.1310 6.1447 6.2193 6.2242 6.2648 6.3130 6.3419 6.3695 6.4373 6.4374 6.4440 6.4805 6.5009 6.5837 6.7383 6.7412 6.7837 6.8056 6.8185 6.8331 7.1081 7.1675 7.1963 7.2354 7.3996 7.4031 7.8290 7.8349 8.0919 8.1530 8.1777 8.1960 9.1135 9.1559 9.2589 9.2672 9.9002 9.9279 10.6487 10.7133 10.9215 10.9691 11.2149 11.3055 11.3551 11.3944 11.6479 11.6734 11.7657 11.8236 12.3000 12.3359 k = 0.2045 0.2045 0.2045 ( 6493 PWs) bands (ev): -4.6955 -4.6954 -4.1190 -4.1187 -3.9828 -3.9825 -3.8636 -3.8635 -0.4548 -0.4510 -0.1336 -0.1260 0.1457 0.1539 0.2658 0.2671 3.7670 3.7721 3.7779 3.7881 3.8441 3.8544 4.2512 4.2789 4.3963 4.4135 4.4505 4.4509 4.6735 4.6819 4.7183 4.7222 4.7986 4.8021 4.9052 4.9287 4.9287 4.9366 5.3441 5.3445 5.6283 5.6328 5.7319 5.7534 6.0204 6.0219 6.0242 6.1033 6.1315 6.1463 6.2292 6.2312 6.2715 6.3165 6.3446 6.3645 6.4389 6.4416 6.4578 6.4883 6.5132 6.5849 6.7584 6.7693 6.7829 6.8186 6.8336 6.8728 7.1319 7.1970 7.2259 7.2491 7.4040 7.4055 7.8112 7.8158 8.0951 8.1584 8.1839 8.2015 9.1337 9.1794 9.3251 9.3376 9.9959 10.0270 10.6285 10.6953 10.8442 10.8917 11.1744 11.2736 11.3015 11.3576 11.6034 11.6524 11.7562 11.8034 12.2578 12.2967 k = 0.2159 0.2159 0.2159 ( 6493 PWs) bands (ev): -4.6692 -4.6691 -4.1263 -4.1261 -3.9866 -3.9862 -3.8667 -3.8665 -0.4733 -0.4697 -0.1659 -0.1592 0.1417 0.1489 0.2557 0.2567 3.7534 3.7534 3.7703 3.7731 3.8473 3.8607 4.2364 4.2595 4.4101 4.4291 4.4396 4.4404 4.6752 4.6794 4.7093 4.7132 4.7799 4.7814 4.9373 4.9453 4.9545 4.9615 5.3649 5.3652 5.6480 5.6488 5.7461 5.7653 6.0292 6.0360 6.0389 6.1146 6.1332 6.1480 6.2382 6.2413 6.2776 6.3198 6.3478 6.3597 6.4401 6.4451 6.4726 6.4970 6.5261 6.5859 6.7695 6.7784 6.8008 6.8372 6.8508 6.9139 7.1497 7.2215 7.2460 7.2598 7.4010 7.4082 7.7997 7.8023 8.0994 8.1638 8.1891 8.2065 9.1497 9.1963 9.3958 9.4098 10.0863 10.1207 10.6013 10.6688 10.7661 10.8131 11.1261 11.1969 11.3115 11.3475 11.5614 11.6273 11.7472 11.7893 12.2093 12.2505 k = 0.2273 0.2273 0.2273 ( 6499 PWs) bands (ev): -4.6421 -4.6420 -4.1331 -4.1328 -3.9903 -3.9900 -3.8705 -3.8703 -0.4904 -0.4871 -0.1986 -0.1928 0.1368 0.1431 0.2427 0.2435 3.7288 3.7303 3.7675 3.7683 3.8493 3.8655 4.2249 4.2433 4.4135 4.4288 4.4334 4.4367 4.6746 4.6747 4.6999 4.7047 4.7626 4.7630 4.9701 4.9731 4.9865 4.9925 5.3954 5.3956 5.6666 5.6702 5.7622 5.7787 6.0361 6.0469 6.0531 6.1236 6.1364 6.1503 6.2446 6.2553 6.2831 6.3229 6.3518 6.3552 6.4411 6.4478 6.4871 6.5076 6.5395 6.5868 6.7721 6.7750 6.8318 6.8616 6.8685 6.9558 7.1644 7.2370 7.2546 7.2689 7.3946 7.4081 7.7959 7.7960 8.1045 8.1690 8.1931 8.2107 9.1607 9.2065 9.4686 9.4822 10.1676 10.2047 10.5700 10.6372 10.6891 10.7354 11.0753 11.1290 11.3326 11.3587 11.5211 11.5990 11.7377 11.7789 12.1573 12.1996 k = 0.2386 0.2386 0.2386 ( 6493 PWs) bands (ev): -4.6144 -4.6142 -4.1392 -4.1389 -3.9940 -3.9937 -3.8750 -3.8748 -0.5063 -0.5033 -0.2314 -0.2263 0.1306 0.1363 0.2271 0.2275 3.7050 3.7062 3.7640 3.7663 3.8499 3.8686 4.2167 4.2309 4.4056 4.4188 4.4249 4.4300 4.6683 4.6735 4.6903 4.6967 4.7553 4.7553 5.0015 5.0119 5.0235 5.0280 5.4317 5.4329 5.6860 5.6945 5.7802 5.7937 6.0430 6.0568 6.0629 6.1309 6.1413 6.1535 6.2499 6.2706 6.2880 6.3260 6.3510 6.3567 6.4422 6.4497 6.5000 6.5212 6.5530 6.5874 6.7650 6.7777 6.8612 6.8857 6.8895 6.9977 7.1782 7.2420 7.2517 7.2783 7.3859 7.4056 7.7971 7.8004 8.1100 8.1737 8.1957 8.2140 9.1658 9.2098 9.5412 9.5527 10.2341 10.2733 10.5361 10.6037 10.6148 10.6612 11.0310 11.0749 11.3613 11.3831 11.4826 11.5687 11.7271 11.7701 12.1047 12.1469 k = 0.2500 0.2500 0.2500 ( 6493 PWs) bands (ev): -4.5860 -4.5859 -4.1447 -4.1444 -3.9976 -3.9973 -3.8802 -3.8801 -0.5208 -0.5180 -0.2637 -0.2593 0.1229 0.1279 0.2088 0.2090 3.6828 3.6834 3.7612 3.7644 3.8492 3.8701 4.2122 4.2225 4.3881 4.4066 4.4098 4.4108 4.6612 4.6715 4.6807 4.6884 4.7621 4.7649 5.0378 5.0530 5.0642 5.0667 5.4717 5.4743 5.7068 5.7208 5.8001 5.8103 6.0498 6.0653 6.0688 6.1370 6.1479 6.1582 6.2537 6.2860 6.2924 6.3290 6.3473 6.3621 6.4436 6.4508 6.5112 6.5374 6.5658 6.5875 6.7584 6.7798 6.8873 6.9014 6.9189 7.0384 7.1925 7.2372 7.2388 7.2903 7.3762 7.4013 7.8053 7.8116 8.1154 8.1778 8.1966 8.2160 9.1644 9.2058 9.6105 9.6182 10.2793 10.3197 10.4999 10.5458 10.5701 10.5943 11.0013 11.0409 11.3933 11.4144 11.4473 11.5374 11.7145 11.7614 12.0555 12.0958 k = 0.2614 0.2614 0.2614 ( 6490 PWs) bands (ev): -4.5573 -4.5571 -4.1495 -4.1493 -4.0011 -4.0008 -3.8861 -3.8860 -0.5340 -0.5314 -0.2953 -0.2915 0.1133 0.1178 0.1881 0.1881 3.6628 3.6629 3.7589 3.7628 3.8471 3.8696 4.2113 4.2184 4.3559 4.3699 4.3997 4.4020 4.6537 4.6674 4.6712 4.6797 4.7841 4.7897 5.0773 5.0958 5.1075 5.1078 5.5136 5.5178 5.7288 5.7489 5.8218 5.8282 6.0567 6.0718 6.0724 6.1422 6.1554 6.1644 6.2559 6.2966 6.3002 6.3321 6.3446 6.3673 6.4457 6.4512 6.5214 6.5549 6.5771 6.5870 6.7537 6.7831 6.9086 6.9150 6.9483 7.0763 7.2046 7.2183 7.2292 7.3069 7.3676 7.3964 7.8191 7.8279 8.1205 8.1809 8.1957 8.2166 9.1562 9.1946 9.6723 9.6742 10.2973 10.3387 10.4609 10.4852 10.5367 10.5385 10.9918 11.0316 11.3992 11.4421 11.4485 11.5056 11.6994 11.7517 12.0135 12.0495 k = 0.2727 0.2727 0.2727 ( 6478 PWs) bands (ev): -4.5282 -4.5280 -4.1536 -4.1534 -4.0045 -4.0042 -3.8926 -3.8925 -0.5457 -0.5434 -0.3257 -0.3224 0.1016 0.1057 0.1650 0.1651 3.6448 3.6457 3.7569 3.7613 3.8437 3.8674 4.2140 4.2187 4.3132 4.3253 4.3922 4.3957 4.6460 4.6615 4.6619 4.6710 4.8174 4.8248 5.1187 5.1395 5.1502 5.1524 5.5560 5.5624 5.7518 5.7785 5.8451 5.8475 6.0638 6.0728 6.0781 6.1468 6.1629 6.1719 6.2568 6.3006 6.3112 6.3352 6.3440 6.3713 6.4488 6.4509 6.5313 6.5723 6.5855 6.5857 6.7523 6.7885 6.9244 6.9264 6.9763 7.1092 7.1930 7.1950 7.2411 7.3290 7.3638 7.3923 7.8366 7.8472 8.1247 8.1830 8.1929 8.2159 9.1417 9.1769 9.7147 9.7210 10.2868 10.3285 10.4225 10.4396 10.4941 10.5023 11.0032 11.0463 11.3673 11.4740 11.4773 11.4829 11.6818 11.7403 11.9823 12.0113 k = 0.2841 0.2841 0.2841 ( 6481 PWs) bands (ev): -4.4989 -4.4988 -4.1570 -4.1568 -4.0079 -4.0076 -3.8998 -3.8996 -0.5559 -0.5538 -0.3548 -0.3519 0.0878 0.0915 0.1398 0.1402 3.6298 3.6313 3.7552 3.7600 3.8392 3.8633 4.2189 4.2234 4.2657 4.2782 4.3872 4.3911 4.6382 4.6530 4.6544 4.6624 4.8578 4.8664 5.1609 5.1836 5.1932 5.1980 5.5976 5.6068 5.7757 5.8092 5.8679 5.8697 6.0711 6.0725 6.0825 6.1508 6.1696 6.1799 6.2572 6.3047 6.3168 6.3385 6.3468 6.3731 6.4500 6.4528 6.5407 6.5839 6.5886 6.5894 6.7558 6.7965 6.9355 6.9364 7.0011 7.1343 7.1664 7.1731 7.2669 7.3512 7.3745 7.3906 7.8560 7.8680 8.1279 8.1840 8.1882 8.2137 9.1213 9.1534 9.7334 9.7493 10.2520 10.2897 10.3911 10.4194 10.4588 10.4640 11.0307 11.0781 11.3332 11.4430 11.5160 11.5163 11.6621 11.7268 11.9639 11.9838 k = 0.2955 0.2955 0.2955 ( 6475 PWs) bands (ev): -4.4696 -4.4695 -4.1597 -4.1595 -4.0111 -4.0108 -3.9075 -3.9073 -0.5646 -0.5627 -0.3823 -0.3797 0.0717 0.0751 0.1129 0.1134 3.6179 3.6200 3.7537 3.7588 3.8336 3.8576 4.2120 4.2165 4.2322 4.2451 4.3844 4.3884 4.6306 4.6444 4.6470 4.6541 4.9027 4.9119 5.2031 5.2272 5.2361 5.2435 5.6376 5.6502 5.8001 5.8406 5.8892 5.8952 6.0716 6.0786 6.0860 6.1546 6.1744 6.1863 6.2588 6.3089 6.3177 6.3420 6.3521 6.3728 6.4487 6.4575 6.5490 6.5818 6.5874 6.6028 6.7649 6.8066 6.9442 6.9454 7.0198 7.1434 7.1494 7.1507 7.2981 7.3689 7.3929 7.4065 7.8764 7.8890 8.1299 8.1817 8.1838 8.2101 9.0961 9.1255 9.7265 9.7516 10.1999 10.2301 10.3617 10.4186 10.4273 10.4400 11.0670 11.1180 11.2998 11.4135 11.5475 11.5561 11.6416 11.7107 11.9584 11.9684 k = 0.3068 0.3068 0.3068 ( 6490 PWs) bands (ev): -4.4405 -4.4403 -4.1616 -4.1615 -4.0142 -4.0140 -3.9157 -3.9155 -0.5717 -0.5701 -0.4078 -0.4056 0.0534 0.0565 0.0844 0.0851 3.6092 3.6120 3.7523 3.7576 3.8271 3.8506 4.1673 4.1697 4.2450 4.2513 4.3839 4.3877 4.6232 4.6362 4.6395 4.6460 4.9502 4.9598 5.2446 5.2699 5.2782 5.2883 5.6751 5.6919 5.8247 5.8722 5.9110 5.9211 6.0702 6.0863 6.0891 6.1581 6.1762 6.1882 6.2635 6.3132 6.3167 6.3458 6.3571 6.3709 6.4474 6.4622 6.5550 6.5788 6.5793 6.6139 6.7792 6.8169 6.9531 6.9538 7.0270 7.1326 7.1337 7.1552 7.3332 7.3931 7.4002 7.4478 7.8967 7.9098 8.1307 8.1735 8.1825 8.2052 9.0671 9.0942 9.6955 9.7270 10.1362 10.1592 10.3183 10.3638 10.4515 10.4578 11.1058 11.1579 11.2677 11.3864 11.5761 11.5969 11.6233 11.6919 11.9642 11.9648 k = 0.3182 0.3182 0.3182 ( 6484 PWs) bands (ev): -4.4115 -4.4114 -4.1628 -4.1627 -4.0172 -4.0170 -3.9243 -3.9242 -0.5772 -0.5757 -0.4313 -0.4294 0.0327 0.0356 0.0547 0.0555 3.6039 3.6071 3.7510 3.7564 3.8199 3.8426 4.1194 4.1222 4.2611 4.2672 4.3858 4.3893 4.6161 4.6285 4.6321 4.6383 4.9993 5.0091 5.2846 5.3109 5.3191 5.3318 5.7092 5.7310 5.8494 5.9034 5.9331 5.9466 6.0687 6.0920 6.0942 6.1616 6.1741 6.1839 6.2728 6.3160 6.3177 6.3497 6.3611 6.3682 6.4463 6.4666 6.5573 6.5641 6.5765 6.6213 6.7958 6.8242 6.9583 6.9677 7.0212 7.1290 7.1405 7.1557 7.3708 7.4131 7.4252 7.4931 7.9168 7.9298 8.1304 8.1639 8.1804 8.1992 9.0356 9.0607 9.6456 9.6804 10.0651 10.0819 10.2592 10.2987 10.4882 10.5041 11.1426 11.1916 11.2372 11.3637 11.5831 11.6276 11.6394 11.6703 11.9714 11.9785 k = 0.3295 0.3295 0.3295 ( 6458 PWs) bands (ev): -4.3830 -4.3828 -4.1633 -4.1631 -4.0202 -4.0200 -3.9334 -3.9333 -0.5811 -0.5798 -0.4525 -0.4509 0.0099 0.0126 0.0238 0.0248 3.6017 3.6054 3.7495 3.7550 3.8122 3.8338 4.0733 4.0760 4.2803 4.2867 4.3902 4.3933 4.6094 4.6212 4.6250 4.6310 5.0494 5.0592 5.3230 5.3500 5.3584 5.3737 5.7393 5.7668 5.8738 5.9334 5.9549 5.9709 6.0672 6.0951 6.1023 6.1649 6.1677 6.1739 6.2856 6.3166 6.3221 6.3538 6.3645 6.3661 6.4449 6.4704 6.5445 6.5540 6.5725 6.6251 6.8084 6.8235 6.9631 6.9882 7.0130 7.1417 7.1561 7.1637 7.4100 7.4310 7.4621 7.5402 7.9364 7.9491 8.1291 8.1531 8.1776 8.1925 9.0026 9.0262 9.5827 9.6185 9.9889 10.0005 10.1881 10.2233 10.5392 10.5598 11.1746 11.2083 11.2132 11.3487 11.5636 11.6458 11.6603 11.6841 11.9857 11.9983 k = 0.3409 0.3409 0.3409 ( 6467 PWs) bands (ev): -4.3550 -4.3549 -4.1630 -4.1628 -4.0231 -4.0229 -3.9429 -3.9428 -0.5832 -0.5821 -0.4713 -0.4699 -0.0152 -0.0124 -0.0079 -0.0067 3.6027 3.6066 3.7479 3.7534 3.8041 3.8245 4.0296 4.0319 4.3018 4.3087 4.3970 4.3996 4.6030 4.6143 4.6182 4.6239 5.0998 5.1095 5.3591 5.3867 5.3956 5.4135 5.7643 5.7982 5.8974 5.9614 5.9761 5.9927 6.0658 6.0977 6.1104 6.1581 6.1607 6.1683 6.2997 6.3184 6.3262 6.3577 6.3655 6.3680 6.4419 6.4736 6.5224 6.5445 6.5664 6.6255 6.8077 6.8106 6.9773 7.0133 7.0160 7.1608 7.1715 7.1980 7.4497 7.4529 7.5015 7.5874 7.9554 7.9676 8.1273 8.1417 8.1746 8.1854 8.9688 8.9914 9.5111 9.5465 9.9091 9.9163 10.1068 10.1384 10.5967 10.6198 11.1813 11.2003 11.2189 11.3442 11.5385 11.6187 11.7004 11.7310 12.0047 12.0211 k = 0.3523 0.3523 0.3523 ( 6485 PWs) bands (ev): -4.3278 -4.3276 -4.1619 -4.1618 -4.0260 -4.0258 -3.9528 -3.9527 -0.5836 -0.5826 -0.4874 -0.4862 -0.0425 -0.0402 -0.0393 -0.0383 3.6065 3.6106 3.7461 3.7515 3.7959 3.8151 3.9885 3.9905 4.3252 4.3326 4.4061 4.4080 4.5970 4.6077 4.6118 4.6172 5.1503 5.1597 5.3929 5.4208 5.4308 5.4512 5.7836 5.8237 5.9199 5.9868 5.9960 6.0103 6.0651 6.0982 6.1184 6.1479 6.1483 6.1716 6.3130 6.3209 6.3291 6.3611 6.3674 6.3721 6.4346 6.4764 6.5021 6.5303 6.5571 6.6220 6.7857 6.7901 7.0076 7.0262 7.0505 7.1737 7.2146 7.2418 7.4776 7.4888 7.5415 7.6333 7.9740 7.9852 8.1254 8.1301 8.1719 8.1785 8.9352 8.9569 9.4340 9.4681 9.8267 9.8303 10.0172 10.0457 10.6563 10.6805 11.1564 11.2111 11.2193 11.3475 11.5107 11.5892 11.7441 11.7795 12.0258 12.0448 k = 0.3636 0.3636 0.3636 ( 6485 PWs) bands (ev): -4.3014 -4.3012 -4.1601 -4.1600 -4.0289 -4.0287 -3.9629 -3.9628 -0.5823 -0.5815 -0.5008 -0.4998 -0.0730 -0.0729 -0.0687 -0.0678 3.6129 3.6171 3.7441 3.7495 3.7878 3.8056 3.9503 3.9520 4.3500 4.3579 4.4175 4.4186 4.5915 4.6017 4.6058 4.6110 5.2005 5.2095 5.4245 5.4523 5.4637 5.4865 5.7962 5.8416 5.9409 6.0090 6.0143 6.0212 6.0670 6.0931 6.1263 6.1402 6.1420 6.1750 6.3228 6.3239 6.3297 6.3638 6.3724 6.3762 6.4204 6.4791 6.4890 6.5142 6.5440 6.6139 6.7524 6.7605 7.0511 7.0518 7.0908 7.1971 7.2677 7.2943 7.5035 7.5267 7.5808 7.6764 7.9922 8.0020 8.1191 8.1237 8.1701 8.1726 8.9022 8.9234 9.3534 9.3858 9.7421 9.7430 9.9209 9.9465 10.7147 10.7395 11.1338 11.1963 11.2317 11.3526 11.4809 11.5577 11.7897 11.8284 12.0467 12.0679 k = 0.3750 0.3750 0.3750 ( 6470 PWs) bands (ev): -4.2760 -4.2758 -4.1576 -4.1575 -4.0318 -4.0317 -3.9732 -3.9731 -0.5791 -0.5785 -0.5113 -0.5105 -0.1057 -0.1053 -0.0989 -0.0977 3.6215 3.6258 3.7419 3.7473 3.7798 3.7963 3.9151 3.9166 4.3757 4.3841 4.4308 4.4310 4.5865 4.5961 4.6002 4.6052 5.2502 5.2587 5.4537 5.4813 5.4944 5.5196 5.8015 5.8499 5.9599 6.0247 6.0274 6.0305 6.0724 6.0827 6.1341 6.1375 6.1437 6.1785 6.3222 6.3259 6.3318 6.3659 6.3749 6.3802 6.4063 6.4815 6.4839 6.4998 6.5273 6.6013 6.7146 6.7248 7.0864 7.1053 7.1356 7.2319 7.3281 7.3543 7.5296 7.5626 7.6185 7.7155 8.0104 8.0175 8.1097 8.1225 8.1690 8.1698 8.8704 8.8911 9.2709 9.3012 9.6548 9.6560 9.8195 9.8427 10.7702 10.7954 11.1137 11.1794 11.2380 11.3556 11.4495 11.5249 11.8355 11.8766 12.0657 12.0891 k = 0.3864 0.3864 0.3864 ( 6476 PWs) bands (ev): -4.2517 -4.2516 -4.1543 -4.1543 -4.0348 -4.0347 -3.9838 -3.9837 -0.5742 -0.5737 -0.5189 -0.5182 -0.1385 -0.1380 -0.1299 -0.1287 3.6321 3.6363 3.7396 3.7449 3.7720 3.7874 3.8829 3.8843 4.4015 4.4105 4.4449 4.4456 4.5820 4.5908 4.5951 4.5997 5.2991 5.3071 5.4807 5.5079 5.5229 5.5504 5.7993 5.8475 5.9764 6.0244 6.0406 6.0441 6.0724 6.0793 6.1397 6.1417 6.1496 6.1821 6.3155 6.3157 6.3369 6.3615 6.3674 6.3890 6.4063 6.4830 6.4835 6.4899 6.5090 6.5850 6.6750 6.6866 7.1305 7.1651 7.1846 7.2767 7.3933 7.4205 7.5547 7.5962 7.6539 7.7492 8.0284 8.0312 8.1031 8.1214 8.1692 8.1718 8.8400 8.8603 9.1876 9.2154 9.5660 9.5685 9.7144 9.7354 10.8214 10.8470 11.0963 11.1628 11.2387 11.3548 11.4166 11.4911 11.8800 11.9226 12.0814 12.1079 k = 0.3977 0.3977 0.3977 ( 6482 PWs) bands (ev): -4.2287 -4.2286 -4.1504 -4.1503 -4.0380 -4.0379 -3.9944 -3.9943 -0.5675 -0.5671 -0.5234 -0.5228 -0.1711 -0.1705 -0.1616 -0.1605 3.6440 3.6481 3.7372 3.7425 3.7647 3.7789 3.8538 3.8551 4.4270 4.4367 4.4599 4.4617 4.5779 4.5861 4.5905 4.5948 5.3470 5.3542 5.5059 5.5323 5.5493 5.5789 5.7902 5.8354 5.9900 6.0239 6.0447 6.0549 6.0696 6.0852 6.1452 6.1491 6.1567 6.1857 6.2988 6.2995 6.3392 6.3494 6.3681 6.3963 6.4141 6.4785 6.4854 6.4856 6.4962 6.5670 6.6359 6.6487 7.1823 7.2291 7.2377 7.3292 7.4609 7.4912 7.5785 7.6281 7.6865 7.7767 8.0416 8.0464 8.1012 8.1200 8.1746 8.1763 8.8115 8.8313 9.1045 9.1299 9.4770 9.4802 9.6070 9.6261 10.8678 10.8938 11.0819 11.1477 11.2350 11.3503 11.3829 11.4571 11.9219 11.9655 12.0928 12.1237 k = 0.4091 0.4091 0.4091 ( 6485 PWs) bands (ev): -4.2070 -4.2069 -4.1458 -4.1457 -4.0413 -4.0412 -4.0051 -4.0051 -0.5590 -0.5587 -0.5249 -0.5244 -0.2033 -0.2026 -0.1937 -0.1927 3.6569 3.6607 3.7349 3.7401 3.7578 3.7710 3.8278 3.8291 4.4516 4.4620 4.4755 4.4785 4.5744 4.5819 4.5864 4.5903 5.3933 5.3997 5.5294 5.5548 5.5736 5.6050 5.7757 5.8164 6.0005 6.0240 6.0406 6.0628 6.0743 6.0884 6.1520 6.1562 6.1634 6.1890 6.2766 6.2797 6.3382 6.3415 6.3664 6.3987 6.4237 6.4654 6.4855 6.4891 6.4956 6.5495 6.5995 6.6131 7.2403 7.2945 7.2954 7.3863 7.5263 7.5615 7.6041 7.6611 7.7162 7.7979 8.0480 8.0645 8.1051 8.1183 8.1836 8.1855 8.7853 8.8043 9.0230 9.0458 9.3881 9.3913 9.4984 9.5159 10.9092 10.9356 11.0706 11.1348 11.2275 11.3422 11.3487 11.4234 11.9603 12.0044 12.0997 12.1365 k = 0.4205 0.4205 0.4205 ( 6488 PWs) bands (ev): -4.1868 -4.1867 -4.1405 -4.1404 -4.0450 -4.0449 -4.0159 -4.0158 -0.5487 -0.5485 -0.5232 -0.5227 -0.2348 -0.2342 -0.2260 -0.2251 3.6701 3.6735 3.7326 3.7379 3.7515 3.7637 3.8050 3.8063 4.4747 4.4858 4.4912 4.4955 4.5714 4.5781 4.5828 4.5862 5.4376 5.4430 5.5517 5.5759 5.5959 5.6287 5.7578 5.7940 6.0075 6.0244 6.0355 6.0676 6.0790 6.0869 6.1590 6.1626 6.1689 6.1918 6.2565 6.2597 6.3327 6.3334 6.3610 6.3918 6.4334 6.4573 6.4887 6.4933 6.4983 6.5350 6.5681 6.5819 7.3029 7.3539 7.3621 7.4451 7.5809 7.6036 7.6575 7.7024 7.7433 7.8135 8.0515 8.0825 8.1139 8.1164 8.1931 8.2004 8.7617 8.7796 8.9448 8.9649 9.2999 9.3025 9.3900 9.4061 10.9456 10.9725 11.0627 11.1245 11.2171 11.3144 11.3313 11.3907 11.9942 12.0385 12.1027 12.1463 k = 0.4318 0.4318 0.4318 ( 6494 PWs) bands (ev): -4.1680 -4.1679 -4.1345 -4.1345 -4.0490 -4.0490 -4.0266 -4.0266 -0.5365 -0.5365 -0.5184 -0.5180 -0.2657 -0.2651 -0.2580 -0.2572 3.6831 3.6861 3.7306 3.7358 3.7457 3.7571 3.7852 3.7867 4.4957 4.5063 4.5077 4.5122 4.5691 4.5750 4.5797 4.5827 5.4790 5.4834 5.5732 5.5956 5.6161 5.6496 5.7385 5.7709 6.0112 6.0247 6.0314 6.0694 6.0797 6.0806 6.1653 6.1681 6.1728 6.1931 6.2425 6.2434 6.3224 6.3226 6.3510 6.3762 6.4422 6.4562 6.4934 6.4980 6.5018 6.5251 6.5441 6.5567 7.3680 7.4144 7.4273 7.5024 7.6167 7.6205 7.7342 7.7589 7.7687 7.8255 8.0546 8.1003 8.1146 8.1249 8.2036 8.2164 8.7414 8.7578 8.8724 8.8895 9.2129 9.2144 9.2828 9.2978 10.9776 11.0047 11.0583 11.1171 11.2045 11.2805 11.3181 11.3594 12.0232 12.0664 12.1041 12.1535 k = 0.4432 0.4432 0.4432 ( 6500 PWs) bands (ev): -4.1508 -4.1508 -4.1280 -4.1280 -4.0535 -4.0535 -4.0372 -4.0372 -0.5226 -0.5226 -0.5105 -0.5102 -0.2956 -0.2950 -0.2895 -0.2888 3.6953 3.6977 3.7289 3.7342 3.7407 3.7513 3.7686 3.7703 4.5141 4.5203 4.5270 4.5279 4.5674 4.5724 4.5771 4.5796 5.5161 5.5195 5.5946 5.6142 5.6343 5.6672 5.7199 5.7492 6.0122 6.0246 6.0285 6.0678 6.0681 6.0781 6.1703 6.1723 6.1750 6.1912 6.2341 6.2355 6.3085 6.3091 6.3371 6.3560 6.4495 6.4576 6.4988 6.5028 6.5054 6.5198 6.5288 6.5387 7.4335 7.4734 7.4887 7.5548 7.6314 7.6363 7.7937 7.8135 7.8268 7.8362 8.0591 8.1131 8.1171 8.1359 8.2131 8.2297 8.7254 8.7397 8.8093 8.8232 9.1279 9.1281 9.1785 9.1923 11.0055 11.0326 11.0577 11.1125 11.1904 11.2474 11.3035 11.3302 12.0467 12.0837 12.1098 12.1587 k = 0.4545 0.4545 0.4545 ( 6512 PWs) bands (ev): -4.1352 -4.1351 -4.1209 -4.1208 -4.0586 -4.0586 -4.0477 -4.0477 -0.5071 -0.5070 -0.4996 -0.4993 -0.3246 -0.3240 -0.3202 -0.3196 3.7060 3.7076 3.7278 3.7329 3.7365 3.7462 3.7551 3.7571 4.5291 4.5324 4.5420 4.5433 4.5666 4.5707 4.5750 4.5771 5.5472 5.5496 5.6164 5.6318 5.6507 5.6809 5.7039 5.7306 6.0118 6.0239 6.0264 6.0540 6.0635 6.0713 6.1734 6.1750 6.1757 6.1865 6.2327 6.2343 6.2939 6.2942 6.3208 6.3339 6.4546 6.4588 6.5041 6.5075 6.5090 6.5181 6.5214 6.5275 7.4966 7.5280 7.5440 7.5985 7.6390 7.6466 7.8197 7.8482 7.8907 7.8975 8.0666 8.1120 8.1322 8.1453 8.2180 8.2354 8.7150 8.7264 8.7607 8.7709 9.0442 9.0463 9.0787 9.0913 11.0301 11.0565 11.0610 11.1106 11.1753 11.2156 11.2883 11.3039 12.0644 12.0876 12.1241 12.1624 k = 0.4659 0.4659 0.4659 ( 6503 PWs) bands (ev): -4.1210 -4.1210 -4.1132 -4.1132 -4.0644 -4.0644 -4.0580 -4.0580 -0.4897 -0.4896 -0.4857 -0.4854 -0.3524 -0.3518 -0.3496 -0.3491 3.7142 3.7151 3.7276 3.7322 3.7336 3.7419 3.7449 3.7471 4.5404 4.5418 4.5540 4.5562 4.5670 4.5701 4.5735 4.5750 5.5706 5.5721 5.6384 5.6482 5.6652 5.6900 5.6921 5.7156 6.0118 6.0226 6.0252 6.0417 6.0560 6.0608 6.1744 6.1751 6.1766 6.1818 6.2366 6.2374 6.2803 6.2811 6.3041 6.3121 6.4578 6.4594 6.5091 6.5116 6.5124 6.5184 6.5189 6.5218 7.5538 7.5747 7.5904 7.6302 7.6442 7.6517 7.8474 7.8633 7.9620 7.9646 8.0784 8.1122 8.1443 8.1517 8.2146 8.2291 8.7121 8.7192 8.7322 8.7390 8.9649 8.9690 8.9856 8.9968 11.0521 11.0682 11.0764 11.1108 11.1596 11.1856 11.2738 11.2812 12.0763 12.0871 12.1389 12.1649 k = 0.4773 0.4773 0.4773 ( 6488 PWs) bands (ev): -4.1084 -4.1084 -4.1050 -4.1050 -4.0710 -4.0710 -4.0681 -4.0681 -0.4707 -0.4705 -0.4690 -0.4687 -0.3789 -0.3784 -0.3776 -0.3771 3.7187 3.7189 3.7292 3.7320 3.7327 3.7381 3.7384 3.7402 4.5473 4.5478 4.5633 4.5654 4.5687 4.5706 4.5725 4.5735 5.5857 5.5863 5.6589 5.6632 5.6771 5.6858 5.6939 5.7040 6.0137 6.0212 6.0247 6.0333 6.0464 6.0481 6.1737 6.1738 6.1771 6.1787 6.2433 6.2434 6.2697 6.2713 6.2884 6.2923 6.4593 6.4598 6.5133 6.5150 6.5153 6.5186 6.5191 6.5196 7.6011 7.6110 7.6250 7.6478 7.6488 7.6538 7.8745 7.8807 8.0222 8.0222 8.0964 8.1160 8.1516 8.1539 8.2004 8.2093 8.7194 8.7207 8.7274 8.7327 8.8922 8.8977 8.9022 8.9116 11.0719 11.0794 11.0923 11.1121 11.1434 11.1579 11.2611 11.2636 12.0830 12.0863 12.1508 12.1662 k = 0.4886 0.4886 0.4886 ( 6488 PWs) bands (ev): -4.0972 -4.0972 -4.0964 -4.0964 -4.0786 -4.0786 -4.0779 -4.0779 -0.4501 -0.4498 -0.4497 -0.4494 -0.4041 -0.4037 -0.4036 -0.4033 3.7197 3.7197 3.7319 3.7325 3.7334 3.7345 3.7357 3.7359 4.5507 4.5507 4.5694 4.5707 4.5708 4.5717 4.5720 4.5725 5.5934 5.5935 5.6752 5.6762 5.6846 5.6848 5.6924 5.6948 6.0185 6.0216 6.0250 6.0287 6.0357 6.0360 6.1725 6.1725 6.1771 6.1773 6.2516 6.2519 6.2637 6.2649 6.2744 6.2756 6.4599 6.4600 6.5164 6.5172 6.5173 6.5187 6.5189 6.5192 7.6342 7.6361 7.6451 7.6500 7.6541 7.6551 7.8949 7.8959 8.0639 8.0641 8.1216 8.1276 8.1519 8.1524 8.1772 8.1800 8.7389 8.7399 8.7455 8.7482 8.8291 8.8319 8.8347 8.8387 11.0907 11.0941 11.1038 11.1127 11.1270 11.1327 11.2520 11.2523 12.0857 12.0861 12.1591 12.1632 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -4.0873 -4.0873 -4.0873 -4.0873 -4.0873 -4.0873 -4.0873 -4.0873 -0.4279 -0.4279 -0.4278 -0.4278 -0.4278 -0.4278 -0.4271 -0.4271 3.7197 3.7197 3.7337 3.7337 3.7337 3.7337 3.7337 3.7337 4.5515 4.5515 4.5720 4.5720 4.5720 4.5720 4.5720 4.5720 5.5957 5.5957 5.6862 5.6862 5.6862 5.6862 5.6862 5.6862 6.0263 6.0263 6.0263 6.0263 6.0263 6.0263 6.1719 6.1719 6.1770 6.1770 6.2622 6.2622 6.2622 6.2622 6.2622 6.2622 6.4600 6.4600 6.5184 6.5184 6.5184 6.5184 6.5184 6.5184 7.6506 7.6506 7.6506 7.6506 7.6506 7.6506 7.9024 7.9024 8.0803 8.0803 8.1499 8.1499 8.1499 8.1499 8.1499 8.1499 8.7716 8.7716 8.7828 8.7828 8.7828 8.7828 8.7828 8.7828 11.1104 11.1104 11.1104 11.1104 11.1104 11.1104 11.2485 11.2485 12.0862 12.0862 12.1643 12.1643 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -4.0873 -4.0873 -4.0873 -4.0873 -4.0873 -4.0873 -4.0873 -4.0873 -0.4279 -0.4279 -0.4278 -0.4278 -0.4278 -0.4278 -0.4271 -0.4271 3.7197 3.7197 3.7337 3.7337 3.7337 3.7337 3.7337 3.7337 4.5515 4.5515 4.5720 4.5720 4.5720 4.5720 4.5720 4.5720 5.5957 5.5957 5.6862 5.6862 5.6862 5.6862 5.6862 5.6862 6.0263 6.0263 6.0263 6.0263 6.0263 6.0263 6.1719 6.1719 6.1770 6.1770 6.2622 6.2622 6.2622 6.2622 6.2622 6.2622 6.4600 6.4600 6.5184 6.5184 6.5184 6.5184 6.5184 6.5184 7.6506 7.6506 7.6506 7.6506 7.6506 7.6506 7.9024 7.9024 8.0803 8.0803 8.1499 8.1499 8.1499 8.1499 8.1499 8.1499 8.7716 8.7716 8.7828 8.7828 8.7828 8.7828 8.7828 8.7828 11.1104 11.1104 11.1104 11.1104 11.1104 11.1104 11.2485 11.2485 12.0862 12.0862 12.1643 12.1643 k = 0.4861 0.5000 0.4861 ( 6488 PWs) bands (ev): -4.0968 -4.0968 -4.0967 -4.0967 -4.0783 -4.0783 -4.0782 -4.0782 -0.4499 -0.4498 -0.4495 -0.4495 -0.4040 -0.4040 -0.4035 -0.4035 3.7197 3.7197 3.7322 3.7322 3.7340 3.7340 3.7358 3.7358 4.5507 4.5507 4.5699 4.5700 4.5715 4.5715 4.5721 4.5721 5.5935 5.5935 5.6758 5.6758 5.6846 5.6846 5.6935 5.6936 6.0195 6.0195 6.0275 6.0275 6.0357 6.0357 6.1724 6.1724 6.1772 6.1773 6.2519 6.2519 6.2641 6.2641 6.2750 6.2750 6.4599 6.4599 6.5167 6.5167 6.5181 6.5181 6.5191 6.5192 7.6355 7.6355 7.6470 7.6470 7.6548 7.6549 7.8953 7.8953 8.0648 8.0648 8.1227 8.1227 8.1547 8.1547 8.1773 8.1773 8.7396 8.7396 8.7470 8.7471 8.8301 8.8301 8.8366 8.8366 11.0920 11.0920 11.1083 11.1083 11.1302 11.1302 11.2521 11.2521 12.0859 12.0859 12.1608 12.1608 k = 0.4722 0.5000 0.4722 ( 6488 PWs) bands (ev): -4.1068 -4.1068 -4.1066 -4.1066 -4.0697 -4.0697 -4.0695 -4.0695 -0.4699 -0.4698 -0.4696 -0.4695 -0.3783 -0.3783 -0.3778 -0.3778 3.7193 3.7193 3.7299 3.7299 3.7355 3.7355 3.7394 3.7394 4.5478 4.5478 4.5647 4.5647 4.5697 4.5697 4.5724 4.5724 5.5865 5.5865 5.6613 5.6613 5.6810 5.6810 5.6986 5.6987 6.0158 6.0158 6.0312 6.0312 6.0469 6.0469 6.1731 6.1731 6.1785 6.1785 6.2437 6.2438 6.2699 6.2699 6.2905 6.2905 6.4596 6.4596 6.5138 6.5138 6.5172 6.5172 6.5193 6.5193 7.6069 7.6069 7.6341 7.6341 7.6527 7.6527 7.8756 7.8757 8.0311 8.0311 8.0946 8.0946 8.1618 8.1618 8.2005 8.2005 8.7213 8.7213 8.7310 8.7310 8.8946 8.8946 8.9049 8.9049 11.0749 11.0749 11.1025 11.1025 11.1511 11.1512 11.2622 11.2622 12.0848 12.0848 12.1564 12.1564 k = 0.4583 0.5000 0.4583 ( 6514 PWs) bands (ev): -4.1173 -4.1172 -4.1170 -4.1170 -4.0614 -4.0613 -4.0610 -4.0610 -0.4878 -0.4878 -0.4875 -0.4875 -0.3511 -0.3511 -0.3505 -0.3505 3.7172 3.7172 3.7264 3.7264 3.7394 3.7394 3.7450 3.7450 4.5418 4.5418 4.5562 4.5562 4.5679 4.5679 4.5730 4.5730 5.5735 5.5735 5.6424 5.6424 5.6776 5.6777 5.7023 5.7023 6.0145 6.0145 6.0371 6.0371 6.0583 6.0583 6.1725 6.1725 6.1812 6.1812 6.2378 6.2378 6.2796 6.2796 6.3084 6.3084 6.4588 6.4588 6.5101 6.5101 6.5156 6.5156 6.5199 6.5199 7.5649 7.5649 7.6094 7.6094 7.6470 7.6470 7.8470 7.8470 7.9925 7.9925 8.0632 8.0632 8.1660 8.1660 8.2162 8.2162 8.7224 8.7225 8.7346 8.7346 8.9688 8.9689 8.9835 8.9835 11.0588 11.0588 11.0943 11.0943 11.1732 11.1732 11.2770 11.2770 12.0823 12.0823 12.1501 12.1501 k = 0.4444 0.5000 0.4444 ( 6496 PWs) bands (ev): -4.1283 -4.1282 -4.1279 -4.1279 -4.0533 -4.0533 -4.0528 -4.0528 -0.5036 -0.5036 -0.5032 -0.5032 -0.3224 -0.3224 -0.3217 -0.3217 3.7134 3.7134 3.7218 3.7218 3.7462 3.7462 3.7528 3.7528 4.5324 4.5324 4.5448 4.5448 4.5670 4.5670 4.5738 4.5738 5.5543 5.5543 5.6192 5.6192 5.6763 5.6763 5.7048 5.7048 6.0145 6.0145 6.0447 6.0447 6.0688 6.0688 6.1705 6.1705 6.1847 6.1847 6.2344 6.2344 6.2927 6.2928 6.3280 6.3280 6.4572 6.4572 6.5059 6.5060 6.5145 6.5146 6.5224 6.5224 7.5118 7.5118 7.5721 7.5721 7.6380 7.6380 7.8130 7.8130 7.9549 7.9549 8.0284 8.0284 8.1669 8.1669 8.2242 8.2242 8.7412 8.7412 8.7556 8.7556 9.0503 9.0503 9.0691 9.0691 11.0436 11.0436 11.0849 11.0849 11.1959 11.1959 11.2949 11.2949 12.0780 12.0780 12.1417 12.1417 k = 0.4306 0.5000 0.4306 ( 6498 PWs) bands (ev): -4.1398 -4.1398 -4.1394 -4.1394 -4.0454 -4.0454 -4.0448 -4.0448 -0.5172 -0.5172 -0.5166 -0.5166 -0.2925 -0.2925 -0.2917 -0.2917 3.7081 3.7081 3.7161 3.7161 3.7554 3.7554 3.7628 3.7628 4.5197 4.5197 4.5306 4.5306 4.5670 4.5670 4.5749 4.5749 5.5302 5.5302 5.5923 5.5923 5.6768 5.6768 5.7063 5.7063 6.0143 6.0143 6.0526 6.0526 6.0777 6.0777 6.1670 6.1670 6.1887 6.1887 6.2339 6.2339 6.3076 6.3077 6.3477 6.3477 6.4540 6.4540 6.5015 6.5015 6.5153 6.5153 6.5290 6.5290 7.4502 7.4502 7.5229 7.5229 7.6253 7.6253 7.7755 7.7755 7.9209 7.9210 7.9918 7.9918 8.1659 8.1659 8.2263 8.2263 8.7740 8.7740 8.7901 8.7901 9.1366 9.1366 9.1594 9.1594 11.0288 11.0288 11.0747 11.0747 11.2189 11.2189 11.3144 11.3144 12.0716 12.0716 12.1311 12.1311 k = 0.4167 0.5000 0.4167 ( 6498 PWs) bands (ev): -4.1519 -4.1519 -4.1515 -4.1515 -4.0376 -4.0376 -4.0369 -4.0369 -0.5285 -0.5285 -0.5278 -0.5278 -0.2616 -0.2616 -0.2606 -0.2606 3.7018 3.7018 3.7096 3.7096 3.7670 3.7670 3.7749 3.7749 4.5042 4.5042 4.5141 4.5141 4.5676 4.5676 4.5764 4.5764 5.5026 5.5026 5.5629 5.5629 5.6780 5.6781 5.7066 5.7066 6.0123 6.0123 6.0583 6.0583 6.0853 6.0853 6.1622 6.1622 6.1935 6.1935 6.2372 6.2372 6.3217 6.3217 6.3658 6.3658 6.4491 6.4491 6.4968 6.4968 6.5196 6.5196 6.5419 6.5419 7.3829 7.3829 7.4647 7.4647 7.6087 7.6087 7.7353 7.7353 7.8913 7.8913 7.9551 7.9551 8.1642 8.1642 8.2252 8.2252 8.8170 8.8171 8.8343 8.8343 9.2260 9.2260 9.2527 9.2527 11.0137 11.0137 11.0639 11.0639 11.2417 11.2417 11.3342 11.3342 12.0633 12.0633 12.1187 12.1187 k = 0.4028 0.5000 0.4028 ( 6486 PWs) bands (ev): -4.1646 -4.1646 -4.1641 -4.1641 -4.0299 -4.0299 -4.0291 -4.0291 -0.5376 -0.5376 -0.5367 -0.5367 -0.2298 -0.2298 -0.2286 -0.2286 3.6947 3.6947 3.7026 3.7026 3.7807 3.7807 3.7891 3.7891 4.4864 4.4864 4.4956 4.4956 4.5687 4.5687 4.5781 4.5781 5.4730 5.4730 5.5318 5.5318 5.6792 5.6792 5.7058 5.7058 6.0071 6.0071 6.0597 6.0597 6.0911 6.0911 6.1565 6.1565 6.2000 6.2000 6.2444 6.2444 6.3322 6.3322 6.3809 6.3809 6.4433 6.4433 6.4923 6.4923 6.5293 6.5294 6.5622 6.5622 7.3122 7.3122 7.4008 7.4008 7.5882 7.5882 7.6928 7.6928 7.8652 7.8652 7.9197 7.9197 8.1630 8.1630 8.2231 8.2231 8.8670 8.8670 8.8849 8.8849 9.3172 9.3172 9.3473 9.3473 10.9977 10.9977 11.0525 11.0525 11.2636 11.2636 11.3533 11.3533 12.0534 12.0534 12.1049 12.1049 k = 0.3889 0.5000 0.3889 ( 6482 PWs) bands (ev): -4.1778 -4.1778 -4.1773 -4.1773 -4.0223 -4.0223 -4.0213 -4.0213 -0.5445 -0.5445 -0.5434 -0.5434 -0.1975 -0.1975 -0.1961 -0.1961 3.6872 3.6872 3.6951 3.6951 3.7965 3.7965 3.8053 3.8053 4.4668 4.4668 4.4754 4.4754 4.5703 4.5703 4.5803 4.5803 5.4423 5.4423 5.4996 5.4996 5.6793 5.6793 5.7036 5.7036 5.9974 5.9974 6.0556 6.0556 6.0938 6.0938 6.1502 6.1502 6.2089 6.2089 6.2550 6.2550 6.3372 6.3372 6.3920 6.3920 6.4384 6.4384 6.4887 6.4887 6.5457 6.5457 6.5888 6.5888 7.2405 7.2405 7.3347 7.3347 7.5643 7.5643 7.6492 7.6492 7.8410 7.8410 7.8859 7.8859 8.1627 8.1627 8.2218 8.2218 8.9213 8.9213 8.9396 8.9396 9.4088 9.4088 9.4424 9.4424 10.9799 10.9799 11.0398 11.0398 11.2840 11.2840 11.3708 11.3708 12.0425 12.0425 12.0903 12.0903 k = 0.3750 0.5000 0.3750 ( 6494 PWs) bands (ev): -4.1915 -4.1915 -4.1910 -4.1910 -4.0146 -4.0146 -4.0135 -4.0135 -0.5491 -0.5491 -0.5478 -0.5478 -0.1648 -0.1648 -0.1631 -0.1631 3.6796 3.6796 3.6876 3.6876 3.8142 3.8142 3.8234 3.8234 4.4457 4.4457 4.4539 4.4539 4.5722 4.5722 4.5827 4.5827 5.4114 5.4114 5.4671 5.4671 5.6780 5.6780 5.7000 5.7001 5.9827 5.9827 6.0458 6.0458 6.0923 6.0924 6.1433 6.1433 6.2200 6.2200 6.2674 6.2674 6.3363 6.3363 6.3993 6.3993 6.4364 6.4364 6.4870 6.4870 6.5684 6.5685 6.6199 6.6199 7.1698 7.1698 7.2691 7.2691 7.5380 7.5380 7.6057 7.6057 7.8172 7.8172 7.8538 7.8538 8.1638 8.1638 8.2219 8.2219 8.9781 8.9781 8.9966 8.9966 9.5000 9.5000 9.5368 9.5368 10.9595 10.9595 11.0254 11.0254 11.3024 11.3024 11.3864 11.3864 12.0312 12.0312 12.0761 12.0761 k = 0.3611 0.5000 0.3611 ( 6490 PWs) bands (ev): -4.2057 -4.2057 -4.2051 -4.2051 -4.0070 -4.0070 -4.0058 -4.0058 -0.5516 -0.5516 -0.5500 -0.5500 -0.1320 -0.1320 -0.1300 -0.1300 3.6721 3.6721 3.6802 3.6802 3.8338 3.8338 3.8434 3.8434 4.4235 4.4235 4.4313 4.4313 4.5746 4.5746 4.5856 4.5857 5.3808 5.3808 5.4346 5.4347 5.6749 5.6749 5.6951 5.6951 5.9627 5.9627 6.0303 6.0303 6.0873 6.0873 6.1357 6.1357 6.2313 6.2313 6.2794 6.2794 6.3307 6.3307 6.4031 6.4031 6.4395 6.4395 6.4888 6.4889 6.5956 6.5956 6.6532 6.6532 7.1020 7.1020 7.2064 7.2064 7.5106 7.5106 7.5637 7.5637 7.7931 7.7931 7.8231 7.8231 8.1662 8.1662 8.2239 8.2239 9.0361 9.0361 9.0548 9.0548 9.5900 9.5900 9.6298 9.6298 10.9355 10.9355 11.0084 11.0084 11.3184 11.3184 11.3997 11.3997 12.0200 12.0200 12.0635 12.0635 k = 0.3472 0.5000 0.3472 ( 6482 PWs) bands (ev): -4.2203 -4.2202 -4.2197 -4.2197 -3.9993 -3.9993 -3.9980 -3.9980 -0.5519 -0.5519 -0.5500 -0.5500 -0.0994 -0.0993 -0.0970 -0.0970 3.6650 3.6650 3.6733 3.6733 3.8550 3.8550 3.8651 3.8651 4.4004 4.4005 4.4080 4.4080 4.5774 4.5774 4.5890 4.5890 5.3508 5.3508 5.4027 5.4027 5.6697 5.6698 5.6887 5.6887 5.9375 5.9375 6.0091 6.0091 6.0795 6.0795 6.1265 6.1265 6.2404 6.2404 6.2888 6.2888 6.3229 6.3229 6.4033 6.4033 6.4489 6.4489 6.4955 6.4956 6.6245 6.6245 6.6865 6.6865 7.0393 7.0393 7.1485 7.1485 7.4834 7.4834 7.5243 7.5243 7.7684 7.7684 7.7933 7.7934 8.1697 8.1697 8.2275 8.2275 9.0941 9.0941 9.1130 9.1130 9.6779 9.6779 9.7206 9.7206 10.9074 10.9074 10.9880 10.9880 11.3318 11.3318 11.4111 11.4111 12.0093 12.0093 12.0539 12.0539 k = 0.3333 0.5000 0.3333 ( 6486 PWs) bands (ev): -4.2352 -4.2352 -4.2346 -4.2346 -3.9916 -3.9916 -3.9901 -3.9901 -0.5502 -0.5502 -0.5480 -0.5480 -0.0671 -0.0671 -0.0643 -0.0643 3.6586 3.6586 3.6670 3.6670 3.8777 3.8777 3.8883 3.8883 4.3768 4.3768 4.3842 4.3843 4.5805 4.5805 4.5927 4.5927 5.3217 5.3217 5.3714 5.3714 5.6624 5.6624 5.6808 5.6808 5.9077 5.9077 5.9828 5.9828 6.0696 6.0696 6.1155 6.1155 6.2453 6.2453 6.2921 6.2921 6.3176 6.3176 6.4008 6.4008 6.4633 6.4633 6.5077 6.5078 6.6525 6.6525 6.7171 6.7171 6.9844 6.9844 7.0973 7.0973 7.4576 7.4576 7.4886 7.4886 7.7432 7.7432 7.7645 7.7645 8.1739 8.1739 8.2323 8.2323 9.1513 9.1513 9.1703 9.1703 9.7632 9.7632 9.8083 9.8083 10.8747 10.8747 10.9634 10.9634 11.3429 11.3430 11.4208 11.4208 11.9996 11.9996 12.0480 12.0480 k = 0.3194 0.5000 0.3194 ( 6460 PWs) bands (ev): -4.2504 -4.2503 -4.2498 -4.2497 -3.9839 -3.9839 -3.9823 -3.9823 -0.5466 -0.5465 -0.5440 -0.5440 -0.0354 -0.0354 -0.0322 -0.0322 3.6531 3.6531 3.6616 3.6616 3.9015 3.9015 3.9127 3.9127 4.3530 4.3530 4.3604 4.3605 4.5841 4.5841 4.5970 4.5970 5.2939 5.2939 5.3411 5.3411 5.6526 5.6526 5.6713 5.6713 5.8739 5.8739 5.9522 5.9522 6.0578 6.0578 6.1022 6.1022 6.2451 6.2451 6.2872 6.2872 6.3186 6.3186 6.3969 6.3970 6.4804 6.4804 6.5247 6.5247 6.6768 6.6768 6.7410 6.7410 6.9418 6.9418 7.0546 7.0546 7.4344 7.4344 7.4577 7.4577 7.7179 7.7180 7.7366 7.7366 8.1783 8.1783 8.2378 8.2378 9.2067 9.2067 9.2259 9.2259 9.8452 9.8452 9.8923 9.8923 10.8376 10.8376 10.9344 10.9344 11.3527 11.3527 11.4295 11.4295 11.9916 11.9916 12.0460 12.0460 k = 0.3056 0.5000 0.3056 ( 6456 PWs) bands (ev): -4.2657 -4.2657 -4.2651 -4.2651 -3.9761 -3.9761 -3.9744 -3.9744 -0.5410 -0.5410 -0.5382 -0.5382 -0.0046 -0.0046 -0.0009 -0.0009 3.6487 3.6487 3.6573 3.6573 3.9263 3.9263 3.9380 3.9380 4.3293 4.3294 4.3369 4.3369 4.5880 4.5880 4.6017 4.6017 5.2674 5.2674 5.3119 5.3119 5.6399 5.6399 5.6599 5.6599 5.8371 5.8371 5.9186 5.9186 6.0440 6.0440 6.0864 6.0864 6.2406 6.2406 6.2787 6.2787 6.3224 6.3224 6.3927 6.3927 6.4979 6.4979 6.5440 6.5440 6.6943 6.6943 6.7526 6.7526 6.9181 6.9181 7.0219 7.0219 7.4145 7.4145 7.4326 7.4326 7.6930 7.6930 7.7100 7.7100 8.1822 8.1822 8.2432 8.2432 9.2596 9.2596 9.2789 9.2789 9.9232 9.9232 9.9714 9.9714 10.7969 10.7969 10.9015 10.9015 11.3622 11.3622 11.4377 11.4377 11.9857 11.9858 12.0471 12.0471 k = 0.2917 0.5000 0.2917 ( 6464 PWs) bands (ev): -4.2812 -4.2812 -4.2806 -4.2805 -3.9683 -3.9683 -3.9665 -3.9665 -0.5338 -0.5338 -0.5306 -0.5306 0.0252 0.0252 0.0294 0.0294 3.6454 3.6454 3.6542 3.6542 3.9513 3.9513 3.9637 3.9637 4.3062 4.3062 4.3141 4.3141 4.5924 4.5924 4.6070 4.6070 5.2423 5.2423 5.2841 5.2841 5.6234 5.6234 5.6461 5.6461 5.7990 5.7991 5.8834 5.8834 6.0282 6.0282 6.0680 6.0680 6.2330 6.2331 6.2697 6.2697 6.3261 6.3261 6.3888 6.3888 6.5140 6.5140 6.5625 6.5625 6.7016 6.7016 6.7506 6.7506 6.9162 6.9162 7.0007 7.0007 7.3983 7.3983 7.4142 7.4142 7.6690 7.6690 7.6855 7.6855 8.1850 8.1850 8.2478 8.2478 9.3090 9.3090 9.3285 9.3285 9.9961 9.9961 10.0444 10.0444 10.7544 10.7545 10.8663 10.8663 11.3724 11.3724 11.4458 11.4458 11.9823 11.9823 12.0507 12.0507 k = 0.2778 0.5000 0.2778 ( 6468 PWs) bands (ev): -4.2967 -4.2966 -4.2961 -4.2960 -3.9605 -3.9605 -3.9586 -3.9586 -0.5250 -0.5250 -0.5214 -0.5214 0.0537 0.0537 0.0584 0.0584 3.6434 3.6434 3.6524 3.6524 3.9761 3.9761 3.9891 3.9891 4.2840 4.2840 4.2926 4.2926 4.5974 4.5974 4.6130 4.6130 5.2188 5.2188 5.2577 5.2577 5.6024 5.6024 5.6290 5.6290 5.7619 5.7619 5.8485 5.8486 6.0102 6.0102 6.0471 6.0471 6.2239 6.2239 6.2611 6.2611 6.3290 6.3290 6.3857 6.3858 6.5266 6.5266 6.5770 6.5770 6.6978 6.6978 6.7430 6.7430 6.9295 6.9295 6.9912 6.9912 7.3862 7.3862 7.4028 7.4028 7.6464 7.6464 7.6640 7.6640 8.1862 8.1862 8.2510 8.2510 9.3541 9.3541 9.3736 9.3736 10.0629 10.0629 10.1098 10.1098 10.7128 10.7128 10.8314 10.8314 11.3840 11.3840 11.4544 11.4544 11.9811 11.9811 12.0558 12.0558 k = 0.2639 0.5000 0.2639 ( 6468 PWs) bands (ev): -4.3121 -4.3120 -4.3115 -4.3114 -3.9528 -3.9528 -3.9508 -3.9508 -0.5147 -0.5147 -0.5108 -0.5108 0.0808 0.0808 0.0861 0.0861 3.6428 3.6428 3.6518 3.6518 3.9996 3.9996 4.0133 4.0133 4.2636 4.2636 4.2733 4.2733 4.6030 4.6030 4.6197 4.6197 5.1968 5.1968 5.2328 5.2328 5.5761 5.5762 5.6073 5.6074 5.7284 5.7284 5.8158 5.8159 5.9901 5.9901 6.0241 6.0241 6.2143 6.2143 6.2529 6.2529 6.3310 6.3310 6.3836 6.3836 6.5338 6.5338 6.5850 6.5850 6.6894 6.6894 6.7345 6.7345 6.9490 6.9490 6.9920 6.9920 7.3784 7.3784 7.3974 7.3974 7.6261 7.6261 7.6465 7.6465 8.1852 8.1852 8.2521 8.2521 9.3939 9.3939 9.4134 9.4134 10.1216 10.1216 10.1657 10.1657 10.6757 10.6757 10.8005 10.8005 11.3974 11.3974 11.4640 11.4640 11.9814 11.9815 12.0615 12.0615 k = 0.2500 0.5000 0.2500 ( 6456 PWs) bands (ev): -4.3273 -4.3273 -4.3267 -4.3267 -3.9451 -3.9451 -3.9430 -3.9430 -0.5031 -0.5031 -0.4988 -0.4988 0.1064 0.1064 0.1122 0.1123 3.6433 3.6433 3.6525 3.6525 4.0206 4.0206 4.0351 4.0351 4.2458 4.2458 4.2574 4.2574 4.6094 4.6094 4.6275 4.6275 5.1762 5.1762 5.2095 5.2095 5.5445 5.5445 5.5805 5.5805 5.7007 5.7007 5.7867 5.7867 5.9680 5.9680 5.9994 5.9994 6.2049 6.2050 6.2452 6.2452 6.3324 6.3324 6.3825 6.3825 6.5338 6.5339 6.5864 6.5864 6.6828 6.6828 6.7249 6.7250 6.9697 6.9697 7.0009 7.0009 7.3743 7.3744 7.3964 7.3964 7.6092 7.6092 7.6342 7.6342 8.1812 8.1812 8.2504 8.2504 9.4273 9.4273 9.4466 9.4466 10.1700 10.1700 10.2103 10.2103 10.6474 10.6474 10.7780 10.7780 11.4126 11.4126 11.4751 11.4751 11.9827 11.9827 12.0672 12.0672 k = 0.2361 0.5000 0.2361 ( 6484 PWs) bands (ev): -4.3423 -4.3422 -4.3417 -4.3416 -3.9375 -3.9375 -3.9353 -3.9353 -0.4904 -0.4904 -0.4857 -0.4857 0.1303 0.1303 0.1367 0.1367 3.6449 3.6449 3.6542 3.6542 4.0373 4.0373 4.0526 4.0527 4.2320 4.2320 4.2464 4.2464 4.6168 4.6168 4.6365 4.6365 5.1567 5.1567 5.1876 5.1876 5.5082 5.5082 5.5493 5.5493 5.6789 5.6789 5.7616 5.7616 5.9440 5.9440 5.9732 5.9732 6.1960 6.1960 6.2377 6.2377 6.3331 6.3331 6.3821 6.3821 6.5268 6.5268 6.5837 6.5837 6.6777 6.6777 6.7151 6.7151 6.9892 6.9892 7.0153 7.0153 7.3727 7.3727 7.3978 7.3978 7.5971 7.5971 7.6281 7.6281 8.1739 8.1739 8.2454 8.2454 9.4533 9.4533 9.4723 9.4723 10.2053 10.2053 10.2430 10.2430 10.6321 10.6321 10.7675 10.7675 11.4292 11.4292 11.4884 11.4884 11.9841 11.9841 12.0724 12.0724 k = 0.2222 0.5000 0.2222 ( 6484 PWs) bands (ev): -4.3569 -4.3568 -4.3563 -4.3563 -3.9300 -3.9300 -3.9278 -3.9278 -0.4768 -0.4767 -0.4717 -0.4717 0.1524 0.1524 0.1595 0.1595 3.6474 3.6474 3.6568 3.6568 4.0480 4.0480 4.0642 4.0642 4.2239 4.2239 4.2415 4.2415 4.6253 4.6253 4.6470 4.6470 5.1379 5.1379 5.1672 5.1672 5.4696 5.4696 5.5165 5.5165 5.6617 5.6617 5.7405 5.7405 5.9185 5.9185 5.9463 5.9463 6.1879 6.1879 6.2307 6.2307 6.3335 6.3335 6.3821 6.3821 6.5154 6.5155 6.5787 6.5787 6.6716 6.6716 6.7060 6.7060 7.0070 7.0070 7.0330 7.0330 7.3716 7.3716 7.3992 7.3992 7.5915 7.5915 7.6289 7.6290 8.1627 8.1627 8.2365 8.2365 9.4711 9.4711 9.4897 9.4897 10.2262 10.2262 10.2653 10.2653 10.6320 10.6320 10.7710 10.7710 11.4468 11.4468 11.5046 11.5046 11.9848 11.9848 12.0765 12.0766 k = 0.2083 0.5000 0.2083 ( 6488 PWs) bands (ev): -4.3711 -4.3710 -4.3705 -4.3705 -3.9227 -3.9227 -3.9204 -3.9204 -0.4624 -0.4624 -0.4570 -0.4570 0.1728 0.1728 0.1804 0.1804 3.6505 3.6505 3.6601 3.6601 4.0518 4.0518 4.0685 4.0685 4.2224 4.2224 4.2430 4.2430 4.6353 4.6353 4.6592 4.6592 5.1192 5.1192 5.1479 5.1479 5.4312 5.4312 5.4845 5.4845 5.6474 5.6474 5.7224 5.7225 5.8921 5.8921 5.9189 5.9189 6.1807 6.1807 6.2241 6.2241 6.3336 6.3336 6.3822 6.3822 6.5027 6.5027 6.5714 6.5714 6.6634 6.6634 6.6975 6.6975 7.0233 7.0234 7.0518 7.0518 7.3693 7.3693 7.3988 7.3988 7.5935 7.5935 7.6368 7.6368 8.1472 8.1472 8.2232 8.2232 9.4804 9.4804 9.4986 9.4986 10.2360 10.2360 10.2796 10.2797 10.6460 10.6460 10.7870 10.7871 11.4652 11.4652 11.5242 11.5242 11.9841 11.9841 12.0796 12.0796 k = 0.1944 0.5000 0.1944 ( 6488 PWs) bands (ev): -4.3847 -4.3847 -4.3842 -4.3842 -3.9155 -3.9155 -3.9132 -3.9132 -0.4474 -0.4474 -0.4417 -0.4416 0.1913 0.1913 0.1995 0.1996 3.6538 3.6539 3.6637 3.6637 4.0497 4.0497 4.0663 4.0663 4.2269 4.2269 4.2499 4.2499 4.6467 4.6467 4.6734 4.6734 5.0999 5.0999 5.1291 5.1291 5.3959 5.3959 5.4557 5.4557 5.6348 5.6348 5.7067 5.7067 5.8655 5.8655 5.8919 5.8919 6.1745 6.1745 6.2178 6.2178 6.3335 6.3335 6.3820 6.3820 6.4906 6.4906 6.5618 6.5618 6.6539 6.6539 6.6890 6.6890 7.0383 7.0383 7.0701 7.0701 7.3650 7.3650 7.3961 7.3961 7.6029 7.6029 7.6507 7.6507 8.1274 8.1274 8.2053 8.2053 9.4815 9.4815 9.4995 9.4995 10.2404 10.2404 10.2889 10.2889 10.6704 10.6704 10.8120 10.8120 11.4843 11.4843 11.5472 11.5472 11.9814 11.9814 12.0816 12.0816 k = 0.1806 0.5000 0.1806 ( 6472 PWs) bands (ev): -4.3978 -4.3978 -4.3973 -4.3973 -3.9087 -3.9087 -3.9063 -3.9063 -0.4321 -0.4321 -0.4260 -0.4260 0.2080 0.2080 0.2168 0.2168 3.6571 3.6571 3.6672 3.6672 4.0436 4.0436 4.0595 4.0595 4.2352 4.2352 4.2597 4.2597 4.6596 4.6596 4.6894 4.6894 5.0794 5.0794 5.1097 5.1097 5.3662 5.3662 5.4319 5.4319 5.6231 5.6231 5.6923 5.6923 5.8393 5.8393 5.8657 5.8657 6.1693 6.1693 6.2119 6.2119 6.3329 6.3329 6.3813 6.3813 6.4803 6.4803 6.5499 6.5499 6.6444 6.6444 6.6800 6.6800 7.0514 7.0514 7.0871 7.0871 7.3584 7.3584 7.3915 7.3915 7.6182 7.6182 7.6692 7.6692 8.1033 8.1033 8.1827 8.1827 9.4757 9.4757 9.4937 9.4937 10.2441 10.2441 10.2963 10.2963 10.7008 10.7008 10.8416 10.8417 11.5047 11.5047 11.5732 11.5732 11.9764 11.9764 12.0827 12.0827 k = 0.1667 0.5000 0.1667 ( 6486 PWs) bands (ev): -4.4102 -4.4102 -4.4097 -4.4097 -3.9021 -3.9021 -3.8997 -3.8997 -0.4167 -0.4167 -0.4103 -0.4103 0.2228 0.2228 0.2323 0.2323 3.6598 3.6598 3.6702 3.6702 4.0355 4.0355 4.0506 4.0506 4.2450 4.2450 4.2706 4.2706 4.6736 4.6736 4.7070 4.7070 5.0576 5.0576 5.0887 5.0887 5.3445 5.3445 5.4140 5.4140 5.6118 5.6118 5.6787 5.6787 5.8143 5.8143 5.8410 5.8410 6.1651 6.1652 6.2062 6.2062 6.3318 6.3318 6.3800 6.3800 6.4718 6.4718 6.5361 6.5361 6.6355 6.6355 6.6705 6.6705 7.0622 7.0622 7.1021 7.1021 7.3496 7.3496 7.3861 7.3861 7.6374 7.6374 7.6902 7.6902 8.0754 8.0754 8.1557 8.1557 9.4648 9.4648 9.4830 9.4830 10.2494 10.2494 10.3040 10.3040 10.7338 10.7338 10.8726 10.8726 11.5266 11.5266 11.6018 11.6018 11.9688 11.9688 12.0832 12.0832 k = 0.1528 0.5000 0.1528 ( 6474 PWs) bands (ev): -4.4219 -4.4219 -4.4214 -4.4214 -3.8959 -3.8958 -3.8934 -3.8934 -0.4014 -0.4014 -0.3947 -0.3946 0.2360 0.2360 0.2460 0.2460 3.6618 3.6618 3.6724 3.6724 4.0269 4.0269 4.0412 4.0412 4.2550 4.2550 4.2813 4.2813 4.6884 4.6884 4.7255 4.7256 5.0346 5.0346 5.0655 5.0655 5.3322 5.3322 5.4027 5.4028 5.6007 5.6007 5.6652 5.6653 5.7913 5.7913 5.8188 5.8188 6.1622 6.1622 6.2010 6.2010 6.3298 6.3299 6.3783 6.3783 6.4651 6.4652 6.5210 6.5210 6.6274 6.6274 6.6611 6.6611 7.0705 7.0705 7.1150 7.1150 7.3391 7.3391 7.3805 7.3805 7.6583 7.6583 7.7122 7.7122 8.0447 8.0447 8.1251 8.1251 9.4511 9.4511 9.4695 9.4695 10.2569 10.2569 10.3131 10.3131 10.7670 10.7670 10.9022 10.9022 11.5501 11.5501 11.6324 11.6324 11.9585 11.9585 12.0839 12.0839 k = 0.1389 0.5000 0.1389 ( 6490 PWs) bands (ev): -4.4328 -4.4328 -4.4324 -4.4323 -3.8900 -3.8900 -3.8875 -3.8875 -0.3865 -0.3865 -0.3794 -0.3794 0.2474 0.2474 0.2580 0.2580 3.6626 3.6626 3.6734 3.6734 4.0188 4.0189 4.0324 4.0324 4.2646 4.2646 4.2911 4.2911 4.7033 4.7033 4.7443 4.7444 5.0106 5.0106 5.0402 5.0402 5.3292 5.3292 5.3978 5.3978 5.5894 5.5894 5.6516 5.6516 5.7711 5.7711 5.7997 5.7997 6.1604 6.1604 6.1962 6.1962 6.3269 6.3269 6.3765 6.3765 6.4594 6.4594 6.5052 6.5052 6.6202 6.6202 6.6523 6.6523 7.0762 7.0762 7.1255 7.1255 7.3270 7.3270 7.3745 7.3745 7.6791 7.6791 7.7331 7.7331 8.0126 8.0126 8.0920 8.0920 9.4366 9.4366 9.4548 9.4548 10.2662 10.2662 10.3234 10.3234 10.7991 10.7991 10.9291 10.9291 11.5747 11.5747 11.6649 11.6649 11.9458 11.9458 12.0852 12.0852 k = 0.1250 0.5000 0.1250 ( 6494 PWs) bands (ev): -4.4428 -4.4428 -4.4424 -4.4424 -3.8845 -3.8845 -3.8821 -3.8821 -0.3720 -0.3720 -0.3647 -0.3647 0.2574 0.2574 0.2685 0.2685 3.6623 3.6623 3.6732 3.6732 4.0118 4.0118 4.0246 4.0246 4.2735 4.2735 4.3000 4.3000 4.7175 4.7175 4.7626 4.7626 4.9864 4.9864 5.0139 5.0139 5.3348 5.3348 5.3983 5.3983 5.5780 5.5780 5.6377 5.6377 5.7541 5.7541 5.7844 5.7844 6.1598 6.1598 6.1919 6.1920 6.3229 6.3229 6.3748 6.3748 6.4535 6.4535 6.4898 6.4898 6.6138 6.6138 6.6447 6.6447 7.0795 7.0795 7.1339 7.1339 7.3134 7.3134 7.3677 7.3677 7.6982 7.6982 7.7511 7.7511 7.9815 7.9815 8.0583 8.0583 9.4229 9.4229 9.4405 9.4405 10.2766 10.2766 10.3345 10.3345 10.8292 10.8292 10.9522 10.9522 11.5992 11.5992 11.6991 11.6991 11.9312 11.9312 12.0877 12.0877 k = 0.1111 0.5000 0.1111 ( 6492 PWs) bands (ev): -4.4520 -4.4519 -4.4515 -4.4515 -3.8795 -3.8795 -3.8771 -3.8771 -0.3584 -0.3584 -0.3508 -0.3508 0.2658 0.2658 0.2774 0.2774 3.6609 3.6609 3.6716 3.6716 4.0060 4.0060 4.0181 4.0181 4.2819 4.2819 4.3082 4.3082 4.7303 4.7304 4.7795 4.7795 4.9622 4.9622 4.9880 4.9880 5.3471 5.3471 5.4030 5.4030 5.5667 5.5667 5.6240 5.6240 5.7409 5.7409 5.7730 5.7731 6.1606 6.1606 6.1884 6.1884 6.3180 6.3180 6.3732 6.3732 6.4462 6.4462 6.4760 6.4760 6.6083 6.6083 6.6386 6.6386 7.0809 7.0809 7.1402 7.1402 7.2984 7.2984 7.3593 7.3593 7.7140 7.7140 7.7644 7.7644 7.9541 7.9541 8.0262 8.0262 9.4111 9.4111 9.4276 9.4276 10.2874 10.2874 10.3457 10.3457 10.8569 10.8569 10.9713 10.9713 11.6221 11.6221 11.7347 11.7347 11.9154 11.9154 12.0916 12.0916 k = 0.0972 0.5000 0.0972 ( 6494 PWs) bands (ev): -4.4601 -4.4601 -4.4597 -4.4597 -3.8750 -3.8750 -3.8726 -3.8725 -0.3457 -0.3457 -0.3379 -0.3379 0.2729 0.2729 0.2849 0.2849 3.6585 3.6585 3.6689 3.6689 4.0015 4.0015 4.0128 4.0128 4.2901 4.2901 4.3157 4.3157 4.7412 4.7412 4.7945 4.7945 4.9387 4.9387 4.9641 4.9641 5.3641 5.3641 5.4102 5.4102 5.5558 5.5558 5.6112 5.6113 5.7316 5.7316 5.7658 5.7658 6.1626 6.1627 6.1856 6.1856 6.3123 6.3123 6.3713 6.3713 6.4363 6.4363 6.4648 6.4648 6.6039 6.6039 6.6339 6.6339 7.0809 7.0809 7.1448 7.1448 7.2817 7.2817 7.3486 7.3486 7.7251 7.7251 7.7713 7.7713 7.9332 7.9332 7.9985 7.9985 9.4015 9.4015 9.4167 9.4167 10.2979 10.2979 10.3562 10.3562 10.8821 10.8821 10.9864 10.9864 11.6425 11.6425 11.7702 11.7702 11.9005 11.9005 12.0966 12.0966 k = 0.0833 0.5000 0.0833 ( 6486 PWs) bands (ev): -4.4673 -4.4673 -4.4669 -4.4669 -3.8711 -3.8711 -3.8686 -3.8686 -0.3342 -0.3342 -0.3262 -0.3262 0.2788 0.2788 0.2912 0.2912 3.6555 3.6555 3.6653 3.6653 3.9981 3.9981 4.0084 4.0084 4.2981 4.2981 4.3228 4.3228 4.7496 4.7496 4.8073 4.8073 4.9164 4.9164 4.9430 4.9430 5.3835 5.3835 5.4180 5.4180 5.5461 5.5461 5.6001 5.6001 5.7261 5.7261 5.7623 5.7623 6.1659 6.1659 6.1840 6.1840 6.3062 6.3062 6.3683 6.3683 6.4250 6.4250 6.4557 6.4557 6.6009 6.6009 6.6304 6.6304 7.0803 7.0803 7.1479 7.1479 7.2636 7.2636 7.3352 7.3352 7.7303 7.7303 7.7713 7.7713 7.9200 7.9200 7.9779 7.9779 9.3944 9.3944 9.4078 9.4078 10.3076 10.3076 10.3657 10.3658 10.9047 10.9047 10.9978 10.9978 11.6598 11.6598 11.8003 11.8003 11.8919 11.8919 12.1019 12.1019 k = 0.0694 0.5000 0.0694 ( 6474 PWs) bands (ev): -4.4734 -4.4734 -4.4730 -4.4730 -3.8677 -3.8676 -3.8652 -3.8651 -0.3242 -0.3242 -0.3160 -0.3160 0.2835 0.2835 0.2962 0.2962 3.6521 3.6521 3.6613 3.6613 3.9958 3.9958 4.0049 4.0049 4.3060 4.3060 4.3294 4.3294 4.7554 4.7554 4.8175 4.8175 4.8961 4.8961 4.9255 4.9255 5.4028 5.4028 5.4250 5.4250 5.5383 5.5384 5.5911 5.5911 5.7243 5.7243 5.7620 5.7620 6.1700 6.1700 6.1839 6.1839 6.3001 6.3001 6.3631 6.3631 6.4148 6.4148 6.4476 6.4476 6.5997 6.5997 6.6277 6.6277 7.0798 7.0798 7.1493 7.1493 7.2449 7.2449 7.3192 7.3192 7.7299 7.7299 7.7663 7.7663 7.9131 7.9132 7.9657 7.9657 9.3895 9.3895 9.4009 9.4009 10.3163 10.3163 10.3738 10.3738 10.9248 10.9248 11.0059 11.0059 11.6744 11.6744 11.8125 11.8125 11.9015 11.9015 12.1061 12.1061 k = 0.0556 0.5000 0.0556 ( 6482 PWs) bands (ev): -4.4784 -4.4784 -4.4781 -4.4781 -3.8648 -3.8648 -3.8623 -3.8623 -0.3156 -0.3156 -0.3073 -0.3073 0.2872 0.2872 0.3002 0.3002 3.6489 3.6489 3.6571 3.6571 3.9942 3.9942 4.0019 4.0019 4.3134 4.3135 4.3353 4.3353 4.7589 4.7589 4.8248 4.8248 4.8788 4.8788 4.9116 4.9116 5.4191 5.4191 5.4304 5.4304 5.5335 5.5335 5.5841 5.5841 5.7255 5.7255 5.7642 5.7642 6.1742 6.1742 6.1856 6.1856 6.2945 6.2945 6.3544 6.3544 6.4078 6.4078 6.4397 6.4397 6.6001 6.6001 6.6254 6.6254 7.0802 7.0802 7.1482 7.1482 7.2275 7.2275 7.3014 7.3014 7.7259 7.7259 7.7586 7.7586 7.9103 7.9103 7.9608 7.9608 9.3865 9.3865 9.3957 9.3957 10.3236 10.3236 10.3803 10.3803 10.9425 10.9425 11.0108 11.0108 11.6871 11.6871 11.8050 11.8050 11.9304 11.9304 12.1075 12.1075 k = 0.0417 0.5000 0.0417 ( 6486 PWs) bands (ev): -4.4824 -4.4824 -4.4821 -4.4821 -3.8626 -3.8626 -3.8601 -3.8601 -0.3089 -0.3089 -0.3005 -0.3005 0.2900 0.2900 0.3032 0.3032 3.6460 3.6460 3.6533 3.6533 3.9934 3.9934 3.9994 3.9994 4.3201 4.3201 4.3404 4.3404 4.7605 4.7605 4.8287 4.8287 4.8659 4.8659 4.9013 4.9013 5.4296 5.4296 5.4352 5.4352 5.5324 5.5324 5.5787 5.5788 5.7287 5.7287 5.7680 5.7680 6.1781 6.1781 6.1890 6.1890 6.2902 6.2902 6.3427 6.3427 6.4047 6.4047 6.4320 6.4320 6.6020 6.6020 6.6231 6.6232 7.0824 7.0824 7.1430 7.1430 7.2146 7.2147 7.2833 7.2833 7.7211 7.7211 7.7502 7.7502 7.9097 7.9097 7.9605 7.9605 9.3849 9.3849 9.3920 9.3920 10.3295 10.3295 10.3852 10.3852 10.9576 10.9576 11.0130 11.0130 11.6990 11.6990 11.7899 11.7899 11.9657 11.9657 12.1047 12.1047 k = 0.0278 0.5000 0.0278 ( 6486 PWs) bands (ev): -4.4852 -4.4852 -4.4849 -4.4849 -3.8610 -3.8610 -3.8585 -3.8585 -0.3039 -0.3039 -0.2954 -0.2954 0.2919 0.2919 0.3053 0.3053 3.6438 3.6438 3.6503 3.6503 3.9931 3.9931 3.9974 3.9974 4.3255 4.3255 4.3442 4.3442 4.7609 4.7610 4.8287 4.8287 4.8588 4.8588 4.8942 4.8942 5.4332 5.4332 5.4405 5.4405 5.5344 5.5344 5.5745 5.5745 5.7325 5.7325 5.7720 5.7720 6.1815 6.1815 6.1928 6.1928 6.2884 6.2884 6.3296 6.3296 6.4045 6.4045 6.4249 6.4249 6.6047 6.6047 6.6208 6.6208 7.0870 7.0870 7.1326 7.1326 7.2088 7.2088 7.2667 7.2667 7.7172 7.7172 7.7427 7.7427 7.9102 7.9102 7.9619 7.9619 9.3844 9.3844 9.3892 9.3892 10.3338 10.3338 10.3885 10.3885 10.9698 10.9698 11.0130 11.0130 11.7107 11.7107 11.7732 11.7732 12.0005 12.0005 12.0964 12.0964 k = 0.0139 0.5000 0.0139 ( 6482 PWs) bands (ev): -4.4869 -4.4869 -4.4866 -4.4866 -3.8600 -3.8600 -3.8575 -3.8575 -0.3009 -0.3009 -0.2924 -0.2924 0.2931 0.2931 0.3065 0.3065 3.6424 3.6424 3.6483 3.6483 3.9933 3.9933 3.9959 3.9959 4.3290 4.3290 4.3466 4.3466 4.7609 4.7609 4.8266 4.8266 4.8564 4.8564 4.8901 4.8901 5.4343 5.4343 5.4434 5.4434 5.5374 5.5374 5.5713 5.5713 5.7356 5.7356 5.7751 5.7751 6.1843 6.1843 6.1953 6.1953 6.2896 6.2896 6.3180 6.3180 6.4060 6.4060 6.4191 6.4191 6.6076 6.6076 6.6183 6.6183 7.0947 7.0947 7.1192 7.1192 7.2086 7.2086 7.2541 7.2541 7.7150 7.7150 7.7376 7.7376 7.9110 7.9110 7.9634 7.9634 9.3847 9.3847 9.3873 9.3873 10.3364 10.3364 10.3905 10.3905 10.9784 10.9784 11.0117 11.0117 11.7225 11.7225 11.7576 11.7576 12.0315 12.0315 12.0825 12.0825 k = 0.0000 0.5000-0.0000 ( 6480 PWs) bands (ev): -4.4875 -4.4875 -4.4872 -4.4872 -3.8597 -3.8597 -3.8572 -3.8572 -0.2999 -0.2999 -0.2914 -0.2914 0.2935 0.2935 0.3069 0.3069 3.6420 3.6420 3.6476 3.6476 3.9936 3.9936 3.9952 3.9952 4.3302 4.3302 4.3474 4.3474 4.7608 4.7608 4.8255 4.8255 4.8560 4.8560 4.8888 4.8888 5.4346 5.4346 5.4443 5.4443 5.5389 5.5389 5.5701 5.5701 5.7367 5.7367 5.7762 5.7762 6.1855 6.1855 6.1960 6.1960 6.2914 6.2914 6.3125 6.3125 6.4073 6.4073 6.4165 6.4165 6.6092 6.6092 6.6170 6.6170 7.1038 7.1038 7.1078 7.1078 7.2095 7.2095 7.2490 7.2490 7.7143 7.7143 7.7357 7.7357 7.9113 7.9113 7.9639 7.9639 9.3852 9.3852 9.3864 9.3864 10.3373 10.3373 10.3911 10.3911 10.9817 10.9817 11.0108 11.0108 11.7303 11.7303 11.7485 11.7485 12.0510 12.0510 12.0689 12.0689 k = 0.5000 0.5000-0.0000 ( 6496 PWs) bands (ev): -4.2820 -4.2820 -4.2819 -4.2819 -3.9997 -3.9997 -3.9996 -3.9996 -0.5582 -0.5582 -0.5581 -0.5581 0.2341 0.2341 0.2341 0.2341 3.7484 3.7484 3.7484 3.7484 3.7831 3.7831 3.7831 3.7831 4.3494 4.3494 4.3494 4.3494 4.4352 4.4352 4.4352 4.4352 5.3375 5.3375 5.3375 5.3375 5.5371 5.5371 5.5372 5.5372 5.8937 5.8937 5.8937 5.8937 5.9489 5.9489 5.9489 5.9489 6.1453 6.1453 6.1453 6.1453 6.1939 6.1939 6.1939 6.1939 6.6085 6.6085 6.6086 6.6086 6.7133 6.7133 6.7133 6.7133 6.9358 6.9358 6.9358 6.9358 7.0908 7.0908 7.0908 7.0908 8.0929 8.0929 8.0929 8.0929 8.3512 8.3512 8.3512 8.3512 9.9205 9.9205 9.9205 9.9205 10.0479 10.0479 10.0479 10.0479 10.4230 10.4230 10.4230 10.4230 11.0026 11.0026 11.0026 11.0026 12.2139 12.2139 12.2139 12.2139 k = 0.5000 0.5000 0.0200 ( 6484 PWs) bands (ev): -4.2815 -4.2815 -4.2815 -4.2815 -3.9997 -3.9997 -3.9997 -3.9997 -0.5584 -0.5584 -0.5584 -0.5584 0.2320 0.2320 0.2321 0.2321 3.7482 3.7482 3.7485 3.7485 3.7830 3.7830 3.7833 3.7833 4.3488 4.3488 4.3514 4.3514 4.4345 4.4345 4.4365 4.4365 5.3362 5.3362 5.3416 5.3416 5.5332 5.5332 5.5408 5.5408 5.8883 5.8883 5.9015 5.9015 5.9497 5.9498 5.9500 5.9500 6.1429 6.1429 6.1510 6.1510 6.1934 6.1934 6.1972 6.1972 6.6071 6.6071 6.6113 6.6113 6.7128 6.7128 6.7150 6.7150 6.9341 6.9341 6.9353 6.9354 7.0875 7.0876 7.0912 7.0912 8.0912 8.0912 8.0942 8.0942 8.3486 8.3486 8.3515 8.3515 9.9140 9.9140 9.9215 9.9215 10.0296 10.0296 10.0398 10.0398 10.4286 10.4286 10.4461 10.4461 10.9966 10.9966 11.0103 11.0103 12.2097 12.2098 12.2193 12.2193 k = 0.5000 0.5000 0.0400 ( 6472 PWs) bands (ev): -4.2802 -4.2802 -4.2801 -4.2801 -3.9998 -3.9998 -3.9998 -3.9998 -0.5590 -0.5590 -0.5590 -0.5590 0.2258 0.2259 0.2261 0.2261 3.7479 3.7480 3.7485 3.7485 3.7828 3.7828 3.7834 3.7834 4.3496 4.3496 4.3547 4.3547 4.4343 4.4343 4.4383 4.4383 5.3376 5.3376 5.3484 5.3484 5.5290 5.5290 5.5438 5.5438 5.8857 5.8857 5.9114 5.9114 5.9524 5.9524 5.9532 5.9532 6.1443 6.1443 6.1594 6.1594 6.1958 6.1958 6.2029 6.2029 6.6069 6.6069 6.6152 6.6152 6.7133 6.7133 6.7175 6.7176 6.9304 6.9304 6.9328 6.9328 7.0815 7.0815 7.0887 7.0888 8.0891 8.0891 8.0950 8.0950 8.3437 8.3437 8.3494 8.3494 9.9013 9.9013 9.9170 9.9170 9.9927 9.9927 10.0079 10.0080 10.4601 10.4601 10.4909 10.4909 10.9925 10.9925 11.0197 11.0197 12.2068 12.2068 12.2258 12.2258 k = 0.5000 0.5000 0.0600 ( 6480 PWs) bands (ev): -4.2779 -4.2779 -4.2779 -4.2779 -4.0001 -4.0000 -4.0000 -4.0000 -0.5601 -0.5601 -0.5601 -0.5601 0.2158 0.2158 0.2162 0.2162 3.7476 3.7476 3.7484 3.7484 3.7827 3.7827 3.7835 3.7835 4.3518 4.3519 4.3593 4.3593 4.4347 4.4347 4.4406 4.4406 5.3416 5.3416 5.3577 5.3577 5.5249 5.5249 5.5461 5.5461 5.8858 5.8858 5.9228 5.9228 5.9565 5.9565 5.9587 5.9587 6.1496 6.1496 6.1695 6.1695 6.2017 6.2018 6.2110 6.2110 6.6077 6.6077 6.6199 6.6199 6.7148 6.7148 6.7206 6.7206 6.9255 6.9255 6.9286 6.9287 7.0730 7.0730 7.0838 7.0838 8.0866 8.0866 8.0953 8.0953 8.3364 8.3364 8.3449 8.3449 9.8801 9.8801 9.9061 9.9061 9.9482 9.9482 9.9620 9.9621 10.5086 10.5086 10.5485 10.5485 10.9902 10.9902 11.0305 11.0305 12.2049 12.2049 12.2331 12.2331 k = 0.5000 0.5000 0.0800 ( 6472 PWs) bands (ev): -4.2748 -4.2748 -4.2747 -4.2747 -4.0004 -4.0004 -4.0003 -4.0003 -0.5615 -0.5615 -0.5615 -0.5615 0.2020 0.2020 0.2025 0.2025 3.7471 3.7471 3.7481 3.7481 3.7825 3.7825 3.7834 3.7834 4.3556 4.3556 4.3652 4.3652 4.4359 4.4359 4.4436 4.4436 5.3480 5.3480 5.3694 5.3694 5.5213 5.5213 5.5476 5.5476 5.8887 5.8887 5.9352 5.9352 5.9620 5.9620 5.9666 5.9666 6.1587 6.1587 6.1800 6.1800 6.2118 6.2118 6.2213 6.2213 6.6092 6.6092 6.6249 6.6249 6.7169 6.7169 6.7235 6.7235 6.9208 6.9208 6.9241 6.9242 7.0628 7.0628 7.0770 7.0770 8.0837 8.0837 8.0952 8.0952 8.3269 8.3269 8.3382 8.3382 9.8451 9.8451 9.8817 9.8817 9.9071 9.9071 9.9165 9.9165 10.5664 10.5664 10.6133 10.6133 10.9896 10.9896 11.0422 11.0422 12.2037 12.2037 12.2407 12.2407 k = 0.5000 0.5000 0.1000 ( 6472 PWs) bands (ev): -4.2708 -4.2708 -4.2707 -4.2707 -4.0008 -4.0008 -4.0008 -4.0008 -0.5631 -0.5631 -0.5631 -0.5631 0.1846 0.1846 0.1852 0.1852 3.7465 3.7465 3.7477 3.7477 3.7822 3.7822 3.7830 3.7830 4.3609 4.3609 4.3723 4.3723 4.4377 4.4377 4.4471 4.4471 5.3565 5.3566 5.3832 5.3832 5.5183 5.5183 5.5485 5.5485 5.8939 5.8939 5.9479 5.9479 5.9687 5.9687 5.9770 5.9770 6.1714 6.1714 6.1902 6.1902 6.2258 6.2258 6.2336 6.2336 6.6107 6.6107 6.6290 6.6290 6.7192 6.7192 6.7254 6.7254 6.9179 6.9179 6.9208 6.9208 7.0519 7.0519 7.0692 7.0692 8.0804 8.0804 8.0945 8.0946 8.3152 8.3152 8.3293 8.3293 9.7948 9.7948 9.8312 9.8313 9.8739 9.8739 9.8880 9.8880 10.6289 10.6289 10.6816 10.6816 10.9904 10.9904 11.0547 11.0547 12.2027 12.2027 12.2482 12.2483 k = 0.5000 0.5000 0.1200 ( 6472 PWs) bands (ev): -4.2659 -4.2659 -4.2659 -4.2659 -4.0014 -4.0014 -4.0014 -4.0014 -0.5649 -0.5649 -0.5649 -0.5649 0.1638 0.1639 0.1646 0.1646 3.7458 3.7458 3.7470 3.7470 3.7817 3.7817 3.7824 3.7824 4.3677 4.3677 4.3807 4.3807 4.4403 4.4403 4.4512 4.4512 5.3670 5.3670 5.3987 5.3987 5.5161 5.5161 5.5489 5.5489 5.9013 5.9013 5.9608 5.9608 5.9764 5.9764 5.9896 5.9896 6.1872 6.1872 6.2003 6.2003 6.2427 6.2427 6.2477 6.2477 6.6111 6.6111 6.6303 6.6303 6.7215 6.7215 6.7254 6.7254 6.9186 6.9187 6.9205 6.9205 7.0421 7.0421 7.0617 7.0617 8.0768 8.0768 8.0935 8.0935 8.3016 8.3016 8.3183 8.3183 9.7360 9.7360 9.7697 9.7697 9.8436 9.8437 9.8640 9.8640 10.6935 10.6935 10.7514 10.7514 10.9925 10.9925 11.0675 11.0675 12.2014 12.2014 12.2550 12.2550 k = 0.5000 0.5000 0.1400 ( 6472 PWs) bands (ev): -4.2603 -4.2603 -4.2603 -4.2603 -4.0022 -4.0022 -4.0022 -4.0022 -0.5667 -0.5667 -0.5667 -0.5667 0.1401 0.1401 0.1409 0.1409 3.7449 3.7449 3.7461 3.7461 3.7809 3.7809 3.7814 3.7814 4.3761 4.3761 4.3902 4.3902 4.4438 4.4438 4.4561 4.4561 5.3790 5.3790 5.4157 5.4157 5.5150 5.5150 5.5491 5.5491 5.9104 5.9104 5.9739 5.9739 5.9849 5.9849 6.0039 6.0039 6.2056 6.2056 6.2105 6.2105 6.2609 6.2609 6.2632 6.2632 6.6090 6.6090 6.6267 6.6267 6.7231 6.7231 6.7237 6.7237 6.9243 6.9243 6.9249 6.9249 7.0362 7.0362 7.0563 7.0564 8.0729 8.0729 8.0920 8.0920 8.2861 8.2861 8.3053 8.3054 9.6735 9.6735 9.7050 9.7050 9.8124 9.8124 9.8374 9.8374 10.7580 10.7580 10.8209 10.8209 10.9957 10.9957 11.0805 11.0805 12.1992 12.1992 12.2604 12.2604 k = 0.5000 0.5000 0.1600 ( 6472 PWs) bands (ev): -4.2539 -4.2539 -4.2539 -4.2539 -4.0032 -4.0032 -4.0032 -4.0032 -0.5684 -0.5684 -0.5683 -0.5683 0.1137 0.1137 0.1145 0.1145 3.7438 3.7438 3.7449 3.7449 3.7799 3.7799 3.7799 3.7799 4.3858 4.3858 4.4009 4.4009 4.4482 4.4482 4.4616 4.4616 5.3923 5.3923 5.4338 5.4339 5.5151 5.5151 5.5494 5.5494 5.9207 5.9207 5.9872 5.9872 5.9942 5.9942 6.0192 6.0192 6.2210 6.2210 6.2257 6.2257 6.2790 6.2790 6.2796 6.2796 6.6025 6.6025 6.6164 6.6164 6.7184 6.7184 6.7252 6.7252 6.9351 6.9351 6.9354 6.9354 7.0378 7.0378 7.0555 7.0555 8.0688 8.0688 8.0902 8.0902 8.2689 8.2690 8.2906 8.2906 9.6091 9.6091 9.6388 9.6388 9.7788 9.7788 9.8074 9.8074 10.8208 10.8208 10.8883 10.8883 11.0001 11.0001 11.0938 11.0938 12.1956 12.1956 12.2638 12.2638 k = 0.5000 0.5000 0.1800 ( 6480 PWs) bands (ev): -4.2468 -4.2468 -4.2468 -4.2468 -4.0045 -4.0045 -4.0044 -4.0044 -0.5698 -0.5698 -0.5697 -0.5697 0.0849 0.0849 0.0858 0.0858 3.7427 3.7427 3.7435 3.7435 3.7780 3.7781 3.7785 3.7785 4.3969 4.3969 4.4125 4.4125 4.4534 4.4534 4.4678 4.4678 5.4064 5.4064 5.4528 5.4528 5.5167 5.5167 5.5502 5.5502 5.9319 5.9319 6.0009 6.0009 6.0040 6.0040 6.0350 6.0350 6.2316 6.2316 6.2468 6.2468 6.2960 6.2960 6.2963 6.2963 6.5906 6.5906 6.5998 6.5998 6.7112 6.7112 6.7236 6.7236 6.9515 6.9515 6.9519 6.9519 7.0505 7.0505 7.0618 7.0618 8.0647 8.0647 8.0881 8.0881 8.2504 8.2504 8.2741 8.2742 9.5436 9.5436 9.5717 9.5717 9.7424 9.7424 9.7735 9.7735 10.8797 10.8797 10.9513 10.9513 11.0065 11.0065 11.1082 11.1082 12.1902 12.1902 12.2648 12.2648 k = 0.5000 0.5000 0.2000 ( 6472 PWs) bands (ev): -4.2390 -4.2390 -4.2390 -4.2390 -4.0060 -4.0060 -4.0060 -4.0060 -0.5707 -0.5707 -0.5707 -0.5707 0.0541 0.0541 0.0550 0.0550 3.7414 3.7414 3.7419 3.7419 3.7757 3.7757 3.7766 3.7766 4.4090 4.4091 4.4249 4.4249 4.4596 4.4596 4.4746 4.4746 5.4211 5.4211 5.4723 5.4723 5.5199 5.5199 5.5516 5.5516 5.9435 5.9435 6.0142 6.0142 6.0149 6.0149 6.0508 6.0508 6.2420 6.2420 6.2680 6.2680 6.3108 6.3108 6.3126 6.3126 6.5732 6.5732 6.5785 6.5785 6.7008 6.7008 6.7161 6.7161 6.9744 6.9744 6.9753 6.9754 7.0759 7.0759 7.0773 7.0773 8.0607 8.0607 8.0859 8.0859 8.2308 8.2308 8.2563 8.2563 9.4772 9.4772 9.5039 9.5039 9.7030 9.7030 9.7357 9.7357 10.9309 10.9309 11.0060 11.0060 11.0174 11.0174 11.1261 11.1261 12.1826 12.1826 12.2632 12.2632 k = 0.5000 0.5000 0.2200 ( 6480 PWs) bands (ev): -4.2306 -4.2306 -4.2306 -4.2306 -4.0079 -4.0079 -4.0079 -4.0079 -0.5711 -0.5710 -0.5710 -0.5710 0.0216 0.0216 0.0226 0.0226 3.7400 3.7400 3.7401 3.7401 3.7729 3.7729 3.7744 3.7744 4.4221 4.4221 4.4380 4.4380 4.4667 4.4667 4.4821 4.4821 5.4360 5.4360 5.4920 5.4920 5.5249 5.5249 5.5540 5.5540 5.9552 5.9552 6.0245 6.0245 6.0289 6.0290 6.0663 6.0664 6.2515 6.2515 6.2883 6.2883 6.3224 6.3224 6.3277 6.3277 6.5521 6.5521 6.5548 6.5548 6.6862 6.6862 6.7015 6.7015 7.0042 7.0042 7.0072 7.0072 7.1027 7.1027 7.1130 7.1130 8.0570 8.0570 8.0837 8.0837 8.2104 8.2104 8.2374 8.2374 9.4101 9.4101 9.4354 9.4355 9.6604 9.6604 9.6939 9.6939 10.9665 10.9665 11.0394 11.0394 11.0467 11.0467 11.1519 11.1519 12.1727 12.1727 12.2588 12.2588 k = 0.5000 0.5000 0.2400 ( 6472 PWs) bands (ev): -4.2217 -4.2217 -4.2217 -4.2216 -4.0102 -4.0102 -4.0102 -4.0102 -0.5706 -0.5706 -0.5706 -0.5706 -0.0121 -0.0121 -0.0111 -0.0111 3.7381 3.7381 3.7386 3.7386 3.7698 3.7698 3.7719 3.7719 4.4357 4.4358 4.4516 4.4516 4.4746 4.4746 4.4902 4.4902 5.4507 5.4507 5.5116 5.5116 5.5321 5.5321 5.5579 5.5579 5.9666 5.9666 6.0348 6.0349 6.0428 6.0428 6.0813 6.0814 6.2594 6.2594 6.3064 6.3065 6.3300 6.3300 6.3409 6.3409 6.5295 6.5295 6.5314 6.5315 6.6671 6.6671 6.6805 6.6806 7.0414 7.0414 7.0479 7.0479 7.1375 7.1375 7.1598 7.1598 8.0537 8.0537 8.0818 8.0818 8.1898 8.1898 8.2176 8.2176 9.3424 9.3424 9.3664 9.3665 9.6145 9.6145 9.6479 9.6479 10.9839 10.9839 11.0706 11.0706 11.0742 11.0742 11.1871 11.1871 12.1607 12.1607 12.2517 12.2517 k = 0.5000 0.5000 0.2600 ( 6480 PWs) bands (ev): -4.2123 -4.2122 -4.2122 -4.2122 -4.0129 -4.0129 -4.0129 -4.0129 -0.5692 -0.5692 -0.5692 -0.5692 -0.0467 -0.0467 -0.0458 -0.0458 3.7360 3.7360 3.7372 3.7372 3.7663 3.7663 3.7690 3.7690 4.4497 4.4497 4.4654 4.4654 4.4832 4.4832 4.4986 4.4986 5.4649 5.4649 5.5304 5.5304 5.5415 5.5415 5.5639 5.5640 5.9774 5.9774 6.0448 6.0448 6.0562 6.0562 6.0956 6.0956 6.2642 6.2643 6.3201 6.3201 6.3334 6.3334 6.3521 6.3521 6.5086 6.5086 6.5108 6.5109 6.6440 6.6440 6.6550 6.6550 7.0857 7.0857 7.0965 7.0965 7.1803 7.1803 7.2144 7.2144 8.0512 8.0512 8.0804 8.0804 8.1694 8.1694 8.1974 8.1974 9.2742 9.2742 9.2969 9.2970 9.5650 9.5650 9.5976 9.5976 10.9921 10.9921 11.0825 11.0825 11.1117 11.1117 11.2256 11.2256 12.1472 12.1472 12.2423 12.2423 k = 0.5000 0.5000 0.2800 ( 6480 PWs) bands (ev): -4.2024 -4.2024 -4.2024 -4.2024 -4.0161 -4.0161 -4.0161 -4.0161 -0.5667 -0.5667 -0.5667 -0.5667 -0.0820 -0.0820 -0.0811 -0.0811 3.7339 3.7339 3.7358 3.7358 3.7626 3.7626 3.7659 3.7659 4.4637 4.4637 4.4792 4.4792 4.4925 4.4925 4.5074 4.5074 5.4785 5.4785 5.5469 5.5469 5.5532 5.5532 5.5735 5.5735 5.9873 5.9873 6.0541 6.0541 6.0686 6.0686 6.1089 6.1089 6.2642 6.2642 6.3253 6.3253 6.3332 6.3332 6.3625 6.3625 6.4925 6.4925 6.4950 6.4950 6.6183 6.6183 6.6269 6.6269 7.1365 7.1365 7.1515 7.1515 7.2295 7.2296 7.2754 7.2754 8.0496 8.0496 8.0796 8.0796 8.1500 8.1501 8.1773 8.1773 9.2056 9.2056 9.2271 9.2271 9.5118 9.5118 9.5429 9.5429 10.9972 10.9972 11.0879 11.0879 11.1454 11.1454 11.2609 11.2609 12.1328 12.1328 12.2311 12.2311 k = 0.5000 0.5000 0.3000 ( 6480 PWs) bands (ev): -4.1922 -4.1922 -4.1922 -4.1922 -4.0198 -4.0198 -4.0198 -4.0197 -0.5629 -0.5629 -0.5628 -0.5628 -0.1175 -0.1175 -0.1166 -0.1166 3.7317 3.7317 3.7344 3.7344 3.7588 3.7588 3.7626 3.7626 4.4773 4.4773 4.4927 4.4927 4.5022 4.5022 4.5163 4.5163 5.4915 5.4915 5.5602 5.5602 5.5670 5.5670 5.5877 5.5877 5.9959 5.9960 6.0624 6.0624 6.0794 6.0795 6.1210 6.1210 6.2573 6.2573 6.3198 6.3198 6.3315 6.3315 6.3726 6.3727 6.4835 6.4835 6.4846 6.4846 6.5915 6.5915 6.5983 6.5983 7.1925 7.1925 7.2112 7.2112 7.2836 7.2836 7.3413 7.3413 8.0487 8.0487 8.0794 8.0794 8.1330 8.1330 8.1582 8.1582 9.1367 9.1367 9.1570 9.1571 9.4548 9.4548 9.4837 9.4837 11.0013 11.0013 11.0900 11.0900 11.1727 11.1727 11.2895 11.2895 12.1188 12.1188 12.2188 12.2188 k = 0.5000 0.5000 0.3200 ( 6480 PWs) bands (ev): -4.1817 -4.1817 -4.1817 -4.1817 -4.0240 -4.0240 -4.0240 -4.0240 -0.5576 -0.5576 -0.5576 -0.5575 -0.1529 -0.1529 -0.1521 -0.1520 3.7296 3.7296 3.7332 3.7332 3.7550 3.7550 3.7591 3.7591 4.4903 4.4903 4.5058 4.5058 4.5123 4.5123 4.5252 4.5252 5.5042 5.5042 5.5714 5.5714 5.5825 5.5825 5.6051 5.6051 6.0031 6.0031 6.0692 6.0692 6.0879 6.0879 6.1319 6.1319 6.2438 6.2438 6.3060 6.3060 6.3296 6.3296 6.3805 6.3805 6.4783 6.4783 6.4811 6.4812 6.5658 6.5658 6.5714 6.5714 7.2522 7.2522 7.2739 7.2739 7.3406 7.3406 7.4110 7.4110 8.0479 8.0479 8.0791 8.0791 8.1202 8.1202 8.1418 8.1418 9.0681 9.0681 9.0872 9.0872 9.3938 9.3938 9.4201 9.4201 11.0054 11.0054 11.0903 11.0903 11.1925 11.1925 11.3096 11.3096 12.1064 12.1064 12.2062 12.2062 k = 0.5000 0.5000 0.3400 ( 6484 PWs) bands (ev): -4.1710 -4.1710 -4.1710 -4.1710 -4.0288 -4.0287 -4.0287 -4.0287 -0.5508 -0.5507 -0.5507 -0.5507 -0.1880 -0.1880 -0.1872 -0.1872 3.7276 3.7276 3.7322 3.7322 3.7513 3.7513 3.7557 3.7557 4.5023 4.5024 4.5181 4.5181 4.5224 4.5224 4.5338 4.5338 5.5169 5.5169 5.5823 5.5823 5.5989 5.5989 5.6236 5.6236 6.0084 6.0084 6.0739 6.0739 6.0928 6.0928 6.1413 6.1414 6.2270 6.2271 6.2884 6.2884 6.3267 6.3267 6.3835 6.3836 6.4742 6.4742 6.4833 6.4833 6.5438 6.5438 6.5485 6.5485 7.3140 7.3140 7.3379 7.3379 7.3989 7.3989 7.4830 7.4830 8.0459 8.0459 8.0764 8.0764 8.1143 8.1143 8.1313 8.1313 9.0001 9.0001 9.0182 9.0182 9.3291 9.3291 9.3524 9.3524 11.0102 11.0102 11.0899 11.0899 11.2045 11.2045 11.3205 11.3206 12.0964 12.0964 12.1941 12.1941 k = 0.5000 0.5000 0.3600 ( 6500 PWs) bands (ev): -4.1602 -4.1602 -4.1602 -4.1602 -4.0341 -4.0341 -4.0341 -4.0340 -0.5422 -0.5422 -0.5421 -0.5421 -0.2224 -0.2224 -0.2217 -0.2217 3.7258 3.7258 3.7313 3.7313 3.7477 3.7477 3.7522 3.7522 4.5133 4.5133 4.5296 4.5296 4.5324 4.5324 4.5421 4.5421 5.5295 5.5296 5.5940 5.5940 5.6158 5.6158 5.6419 5.6419 6.0118 6.0118 6.0760 6.0760 6.0923 6.0923 6.1493 6.1493 6.2113 6.2113 6.2708 6.2708 6.3212 6.3212 6.3794 6.3794 6.4704 6.4704 6.4878 6.4878 6.5278 6.5278 6.5317 6.5317 7.3759 7.3759 7.4011 7.4011 7.4562 7.4562 7.5560 7.5560 8.0424 8.0424 8.0687 8.0687 8.1173 8.1173 8.1303 8.1303 8.9339 8.9339 8.9508 8.9509 9.2608 9.2608 9.2809 9.2809 11.0161 11.0161 11.0896 11.0896 11.2090 11.2090 11.3228 11.3228 12.0894 12.0894 12.1833 12.1833 k = 0.5000 0.5000 0.3800 ( 6492 PWs) bands (ev): -4.1494 -4.1493 -4.1493 -4.1493 -4.0400 -4.0400 -4.0400 -4.0400 -0.5318 -0.5318 -0.5317 -0.5317 -0.2560 -0.2560 -0.2553 -0.2553 3.7242 3.7242 3.7307 3.7307 3.7444 3.7444 3.7489 3.7489 4.5230 4.5231 4.5399 4.5399 4.5419 4.5419 4.5497 4.5497 5.5424 5.5424 5.6066 5.6066 5.6323 5.6323 5.6589 5.6590 6.0133 6.0133 6.0750 6.0750 6.0855 6.0855 6.1559 6.1559 6.1998 6.1998 6.2563 6.2563 6.3124 6.3124 6.3677 6.3677 6.4664 6.4664 6.4933 6.4933 6.5191 6.5191 6.5219 6.5219 7.4359 7.4359 7.4614 7.4614 7.5104 7.5104 7.6287 7.6287 8.0392 8.0392 8.0575 8.0575 8.1287 8.1287 8.1381 8.1381 8.8710 8.8711 8.8869 8.8869 9.1895 9.1895 9.2063 9.2063 11.0237 11.0237 11.0902 11.0902 11.2065 11.2065 11.3176 11.3176 12.0853 12.0853 12.1743 12.1744 k = 0.5000 0.5000 0.4000 ( 6484 PWs) bands (ev): -4.1385 -4.1385 -4.1385 -4.1385 -4.0465 -4.0465 -4.0465 -4.0465 -0.5195 -0.5195 -0.5194 -0.5194 -0.2884 -0.2884 -0.2878 -0.2878 3.7228 3.7228 3.7304 3.7304 3.7413 3.7413 3.7457 3.7457 4.5315 4.5315 4.5490 4.5490 4.5505 4.5505 4.5564 4.5565 5.5551 5.5551 5.6202 5.6202 5.6478 5.6478 5.6738 5.6738 6.0133 6.0133 6.0710 6.0710 6.0735 6.0735 6.1615 6.1615 6.1926 6.1927 6.2464 6.2464 6.3007 6.3007 6.3503 6.3503 6.4629 6.4629 6.4991 6.4991 6.5161 6.5161 6.5176 6.5176 7.4916 7.4916 7.5163 7.5163 7.5590 7.5590 7.6994 7.6994 8.0398 8.0398 8.0462 8.0462 8.1458 8.1458 8.1511 8.1511 8.8141 8.8141 8.8286 8.8286 9.1159 9.1159 9.1296 9.1296 11.0331 11.0331 11.0920 11.0920 11.1981 11.1981 11.3067 11.3067 12.0835 12.0835 12.1676 12.1676 k = 0.5000 0.5000 0.4200 ( 6508 PWs) bands (ev): -4.1278 -4.1278 -4.1278 -4.1277 -4.0536 -4.0536 -4.0536 -4.0535 -0.5053 -0.5052 -0.5051 -0.5051 -0.3196 -0.3196 -0.3190 -0.3190 3.7216 3.7216 3.7303 3.7303 3.7387 3.7387 3.7427 3.7427 4.5385 4.5385 4.5567 4.5567 4.5579 4.5579 4.5622 4.5622 5.5673 5.5673 5.6344 5.6344 5.6613 5.6613 5.6855 5.6855 6.0126 6.0126 6.0591 6.0591 6.0641 6.0641 6.1660 6.1660 6.1878 6.1879 6.2415 6.2415 6.2880 6.2880 6.3302 6.3302 6.4607 6.4607 6.5045 6.5045 6.5162 6.5162 6.5165 6.5165 7.5407 7.5407 7.5636 7.5636 7.5995 7.5995 7.7658 7.7658 8.0381 8.0381 8.0473 8.0473 8.1645 8.1645 8.1650 8.1650 8.7670 8.7670 8.7800 8.7800 9.0412 9.0412 9.0521 9.0521 11.0446 11.0446 11.0953 11.0953 11.1850 11.1850 11.2922 11.2922 12.0834 12.0834 12.1631 12.1631 k = 0.5000 0.5000 0.4400 ( 6496 PWs) bands (ev): -4.1172 -4.1172 -4.1172 -4.1172 -4.0612 -4.0612 -4.0612 -4.0612 -0.4890 -0.4889 -0.4887 -0.4887 -0.3493 -0.3492 -0.3487 -0.3487 3.7207 3.7207 3.7307 3.7307 3.7366 3.7366 3.7400 3.7400 4.5441 4.5441 4.5629 4.5629 4.5639 4.5639 4.5668 4.5668 5.5784 5.5784 5.6489 5.6489 5.6722 5.6722 5.6930 5.6930 6.0125 6.0126 6.0457 6.0457 6.0553 6.0553 6.1696 6.1696 6.1837 6.1837 6.2412 6.2412 6.2768 6.2768 6.3101 6.3101 6.4598 6.4598 6.5095 6.5095 6.5168 6.5168 6.5175 6.5175 7.5817 7.5817 7.6014 7.6014 7.6297 7.6297 7.8243 7.8243 8.0367 8.0367 8.0636 8.0636 8.1742 8.1742 8.1793 8.1793 8.7354 8.7354 8.7465 8.7465 8.9671 8.9671 8.9756 8.9756 11.0582 11.0583 11.0998 11.0998 11.1685 11.1685 11.2766 11.2766 12.0842 12.0842 12.1606 12.1606 k = 0.5000 0.5000 0.4600 ( 6496 PWs) bands (ev): -4.1069 -4.1069 -4.1069 -4.1069 -4.0694 -4.0694 -4.0694 -4.0694 -0.4706 -0.4706 -0.4703 -0.4703 -0.3773 -0.3773 -0.3768 -0.3768 3.7201 3.7201 3.7313 3.7313 3.7350 3.7350 3.7376 3.7376 4.5482 4.5482 4.5675 4.5675 4.5683 4.5683 4.5700 4.5700 5.5875 5.5875 5.6630 5.6630 5.6801 5.6801 5.6956 5.6956 6.0144 6.0144 6.0351 6.0351 6.0455 6.0455 6.1719 6.1719 6.1797 6.1797 6.2448 6.2449 6.2685 6.2685 6.2915 6.2916 6.4597 6.4598 6.5136 6.5136 6.5176 6.5176 6.5186 6.5187 7.6138 7.6138 7.6288 7.6288 7.6481 7.6481 7.8690 7.8690 8.0461 8.0461 8.0887 8.0887 8.1730 8.1730 8.1836 8.1836 8.7254 8.7254 8.7342 8.7342 8.8960 8.8960 8.9026 8.9026 11.0740 11.0740 11.1048 11.1048 11.1498 11.1498 11.2624 11.2624 12.0852 12.0852 12.1601 12.1601 k = 0.5000 0.5000 0.4800 ( 6488 PWs) bands (ev): -4.0970 -4.0969 -4.0969 -4.0969 -4.0781 -4.0781 -4.0781 -4.0781 -0.4502 -0.4502 -0.4499 -0.4499 -0.4035 -0.4035 -0.4031 -0.4031 3.7198 3.7198 3.7324 3.7324 3.7341 3.7341 3.7355 3.7355 4.5507 4.5507 4.5706 4.5706 4.5711 4.5711 4.5717 4.5718 5.5935 5.5935 5.6758 5.6758 5.6847 5.6847 5.6932 5.6932 6.0190 6.0190 6.0285 6.0285 6.0354 6.0354 6.1723 6.1723 6.1774 6.1774 6.2520 6.2520 6.2637 6.2637 6.2754 6.2755 6.4599 6.4599 6.5166 6.5166 6.5182 6.5182 6.5191 6.5191 7.6368 7.6368 7.6452 7.6452 7.6548 7.6548 7.8946 7.8946 8.0663 8.0663 8.1193 8.1194 8.1604 8.1604 8.1733 8.1733 8.7398 8.7399 8.7468 8.7468 8.8314 8.8314 8.8367 8.8367 11.0915 11.0915 11.1088 11.1088 11.1301 11.1301 11.2522 11.2522 12.0859 12.0859 12.1614 12.1614 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -4.0873 -4.0873 -4.0873 -4.0873 -4.0873 -4.0873 -4.0873 -4.0873 -0.4279 -0.4279 -0.4278 -0.4278 -0.4278 -0.4278 -0.4271 -0.4271 3.7197 3.7197 3.7337 3.7337 3.7337 3.7337 3.7337 3.7337 4.5515 4.5515 4.5720 4.5720 4.5720 4.5720 4.5720 4.5720 5.5957 5.5957 5.6862 5.6862 5.6862 5.6862 5.6862 5.6862 6.0263 6.0263 6.0263 6.0263 6.0263 6.0263 6.1719 6.1719 6.1770 6.1770 6.2622 6.2622 6.2622 6.2622 6.2622 6.2622 6.4600 6.4600 6.5184 6.5184 6.5184 6.5184 6.5184 6.5184 7.6506 7.6506 7.6506 7.6506 7.6506 7.6506 7.9024 7.9024 8.0803 8.0803 8.1499 8.1499 8.1499 8.1499 8.1499 8.1499 8.7716 8.7716 8.7828 8.7828 8.7828 8.7828 8.7828 8.7828 11.1104 11.1104 11.1104 11.1104 11.1104 11.1104 11.2485 11.2485 12.0862 12.0862 12.1643 12.1643 Writing output data file SbPdSe.save init_run : 3.66s CPU 13.41s WALL ( 1 calls) electrons : 1482.68s CPU 1494.31s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.50s CPU 1.53s WALL ( 1 calls) Called by electrons: c_bands : 1482.65s CPU 1494.07s WALL ( 1 calls) v_of_rho : 0.19s CPU 1.01s WALL ( 1 calls) v_h : 0.00s CPU 0.03s WALL ( 1 calls) v_xc : 0.18s CPU 0.63s WALL ( 1 calls) newd : 1.53s CPU 1.62s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.14s WALL ( 197 calls) cegterg : 1395.45s CPU 1404.12s WALL ( 434 calls) Called by sum_band: Called by *egterg: h_psi : 438.78s CPU 445.48s WALL ( 7513 calls) s_psi : 90.01s CPU 90.16s WALL ( 7513 calls) g_psi : 1.21s CPU 1.20s WALL ( 6882 calls) cdiaghg : 661.70s CPU 661.67s WALL ( 7079 calls) cegterg:over : 122.45s CPU 121.83s WALL ( 6882 calls) cegterg:upda : 41.99s CPU 42.85s WALL ( 6882 calls) cegterg:last : 34.22s CPU 34.45s WALL ( 1217 calls) Called by h_psi: h_psi:vloc : 269.97s CPU 274.20s WALL ( 7513 calls) h_psi:vnl : 168.00s CPU 170.08s WALL ( 7513 calls) add_vuspsi : 70.02s CPU 73.01s WALL ( 7513 calls) General routines calbec : 97.94s CPU 96.94s WALL ( 7513 calls) fft : 0.36s CPU 1.10s WALL ( 19 calls) ffts : 0.00s CPU 0.09s WALL ( 4 calls) fftw : 244.64s CPU 246.12s WALL ( 1390024 calls) interpolate : 0.03s CPU 0.12s WALL ( 4 calls) davcio : 0.02s CPU 1.95s WALL ( 394 calls) Parallel routines fft_scatter : 170.61s CPU 167.38s WALL ( 1390047 calls) PWSCF : 25m56.88s CPU 28m27.89s WALL This run was terminated on: 7:49:49 29Dec2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=