Program PWSCF v.5.1.1 starts on 8Dec2015 at 7:20:51 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 105 35 10 5673 1067 168 Max 106 36 11 5680 1091 173 Sum 5073 1685 489 272489 51867 8121 bravais-lattice index = 14 lattice parameter (alat) = 11.9395 a.u. unit-cell volume = 1701.9860 (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)= 11.939478 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: 272489 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 0.44 Mb ( 286, 100) NL pseudopotentials 0.65 Mb ( 143, 300) Each V/rho on FFT grid 0.20 Mb ( 13122) Each G-vector array 0.04 Mb ( 5675) G-vector shells 0.01 Mb ( 1064) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.75 Mb ( 286, 400) Each subspace H/S matrix 2.44 Mb ( 400, 400) Each matrix 0.92 Mb ( 300, 2, 100) The potential is recalculated from file : ./SbPdSe.save/charge-density.dat Starting wfc are 136 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 46.0 secs Computing kpt #: 2 total cpu time spent up to now is 52.3 secs Computing kpt #: 3 total cpu time spent up to now is 58.7 secs Computing kpt #: 4 total cpu time spent up to now is 64.8 secs Computing kpt #: 5 total cpu time spent up to now is 71.6 secs Computing kpt #: 6 total cpu time spent up to now is 78.2 secs Computing kpt #: 7 total cpu time spent up to now is 84.9 secs Computing kpt #: 8 total cpu time spent up to now is 91.6 secs Computing kpt #: 9 total cpu time spent up to now is 98.3 secs Computing kpt #: 10 total cpu time spent up to now is 106.1 secs Computing kpt #: 11 total cpu time spent up to now is 113.8 secs Computing kpt #: 12 total cpu time spent up to now is 122.1 secs Computing kpt #: 13 total cpu time spent up to now is 130.3 secs Computing kpt #: 14 total cpu time spent up to now is 140.0 secs Computing kpt #: 15 total cpu time spent up to now is 148.3 secs Computing kpt #: 16 total cpu time spent up to now is 156.7 secs Computing kpt #: 17 total cpu time spent up to now is 166.1 secs Computing kpt #: 18 total cpu time spent up to now is 177.2 secs Computing kpt #: 19 total cpu time spent up to now is 187.0 secs Computing kpt #: 20 total cpu time spent up to now is 195.2 secs Computing kpt #: 21 total cpu time spent up to now is 202.9 secs Computing kpt #: 22 total cpu time spent up to now is 210.3 secs Computing kpt #: 23 total cpu time spent up to now is 217.7 secs Computing kpt #: 24 total cpu time spent up to now is 224.8 secs Computing kpt #: 25 total cpu time spent up to now is 232.1 secs Computing kpt #: 26 total cpu time spent up to now is 239.1 secs Computing kpt #: 27 total cpu time spent up to now is 246.1 secs Computing kpt #: 28 total cpu time spent up to now is 253.3 secs Computing kpt #: 29 total cpu time spent up to now is 260.6 secs Computing kpt #: 30 total cpu time spent up to now is 267.9 secs Computing kpt #: 31 total cpu time spent up to now is 275.2 secs Computing kpt #: 32 total cpu time spent up to now is 282.6 secs Computing kpt #: 33 total cpu time spent up to now is 290.1 secs Computing kpt #: 34 total cpu time spent up to now is 297.8 secs Computing kpt #: 35 total cpu time spent up to now is 305.5 secs Computing kpt #: 36 total cpu time spent up to now is 313.7 secs Computing kpt #: 37 total cpu time spent up to now is 321.8 secs Computing kpt #: 38 total cpu time spent up to now is 329.8 secs Computing kpt #: 39 total cpu time spent up to now is 337.6 secs Computing kpt #: 40 total cpu time spent up to now is 345.5 secs Computing kpt #: 41 total cpu time spent up to now is 353.0 secs Computing kpt #: 42 total cpu time spent up to now is 360.4 secs Computing kpt #: 43 total cpu time spent up to now is 367.9 secs Computing kpt #: 44 total cpu time spent up to now is 375.4 secs Computing kpt #: 45 total cpu time spent up to now is 382.8 secs Computing kpt #: 46 total cpu time spent up to now is 390.4 secs Computing kpt #: 47 total cpu time spent up to now is 397.9 secs Computing kpt #: 48 total cpu time spent up to now is 406.0 secs Computing kpt #: 49 total cpu time spent up to now is 413.9 secs Computing kpt #: 50 total cpu time spent up to now is 421.6 secs Computing kpt #: 51 total cpu time spent up to now is 429.1 secs Computing kpt #: 52 total cpu time spent up to now is 437.7 secs Computing kpt #: 53 total cpu time spent up to now is 446.0 secs Computing kpt #: 54 total cpu time spent up to now is 453.8 secs Computing kpt #: 55 total cpu time spent up to now is 461.5 secs Computing kpt #: 56 total cpu time spent up to now is 469.3 secs Computing kpt #: 57 total cpu time spent up to now is 477.6 secs Computing kpt #: 58 total cpu time spent up to now is 485.3 secs Computing kpt #: 59 total cpu time spent up to now is 493.1 secs Computing kpt #: 60 total cpu time spent up to now is 501.3 secs Computing kpt #: 61 total cpu time spent up to now is 508.9 secs Computing kpt #: 62 total cpu time spent up to now is 516.8 secs Computing kpt #: 63 total cpu time spent up to now is 524.5 secs Computing kpt #: 64 total cpu time spent up to now is 531.5 secs Computing kpt #: 65 total cpu time spent up to now is 538.3 secs Computing kpt #: 66 total cpu time spent up to now is 545.3 secs Computing kpt #: 67 total cpu time spent up to now is 552.1 secs Computing kpt #: 68 total cpu time spent up to now is 559.3 secs Computing kpt #: 69 total cpu time spent up to now is 567.3 secs Computing kpt #: 70 total cpu time spent up to now is 575.5 secs Computing kpt #: 71 total cpu time spent up to now is 584.6 secs Computing kpt #: 72 total cpu time spent up to now is 597.2 secs Computing kpt #: 73 total cpu time spent up to now is 607.4 secs Computing kpt #: 74 total cpu time spent up to now is 616.8 secs Computing kpt #: 75 total cpu time spent up to now is 624.5 secs Computing kpt #: 76 total cpu time spent up to now is 632.1 secs Computing kpt #: 77 total cpu time spent up to now is 639.5 secs Computing kpt #: 78 total cpu time spent up to now is 646.3 secs Computing kpt #: 79 total cpu time spent up to now is 653.1 secs Computing kpt #: 80 total cpu time spent up to now is 659.8 secs Computing kpt #: 81 total cpu time spent up to now is 666.7 secs Computing kpt #: 82 total cpu time spent up to now is 673.5 secs Computing kpt #: 83 total cpu time spent up to now is 680.4 secs Computing kpt #: 84 total cpu time spent up to now is 687.2 secs Computing kpt #: 85 total cpu time spent up to now is 693.9 secs Computing kpt #: 86 total cpu time spent up to now is 700.1 secs Computing kpt #: 87 total cpu time spent up to now is 706.9 secs Computing kpt #: 88 total cpu time spent up to now is 713.4 secs Computing kpt #: 89 total cpu time spent up to now is 719.9 secs Computing kpt #: 90 total cpu time spent up to now is 726.2 secs Computing kpt #: 91 total cpu time spent up to now is 732.6 secs Computing kpt #: 92 total cpu time spent up to now is 741.3 secs Computing kpt #: 93 total cpu time spent up to now is 748.0 secs Computing kpt #: 94 total cpu time spent up to now is 754.8 secs Computing kpt #: 95 total cpu time spent up to now is 761.5 secs Computing kpt #: 96 total cpu time spent up to now is 768.3 secs Computing kpt #: 97 total cpu time spent up to now is 775.1 secs Computing kpt #: 98 total cpu time spent up to now is 781.7 secs Computing kpt #: 99 total cpu time spent up to now is 788.6 secs Computing kpt #: 100 total cpu time spent up to now is 795.3 secs Computing kpt #: 101 total cpu time spent up to now is 802.0 secs Computing kpt #: 102 total cpu time spent up to now is 808.8 secs Computing kpt #: 103 total cpu time spent up to now is 816.0 secs Computing kpt #: 104 total cpu time spent up to now is 822.8 secs Computing kpt #: 105 total cpu time spent up to now is 829.6 secs Computing kpt #: 106 total cpu time spent up to now is 836.4 secs Computing kpt #: 107 total cpu time spent up to now is 843.1 secs Computing kpt #: 108 total cpu time spent up to now is 849.7 secs Computing kpt #: 109 total cpu time spent up to now is 856.3 secs Computing kpt #: 110 total cpu time spent up to now is 862.7 secs Computing kpt #: 111 total cpu time spent up to now is 869.2 secs Computing kpt #: 112 total cpu time spent up to now is 875.6 secs Computing kpt #: 113 total cpu time spent up to now is 882.0 secs Computing kpt #: 114 total cpu time spent up to now is 888.4 secs Computing kpt #: 115 total cpu time spent up to now is 894.8 secs Computing kpt #: 116 total cpu time spent up to now is 901.3 secs Computing kpt #: 117 total cpu time spent up to now is 907.7 secs Computing kpt #: 118 total cpu time spent up to now is 915.1 secs Computing kpt #: 119 total cpu time spent up to now is 922.6 secs Computing kpt #: 120 total cpu time spent up to now is 930.1 secs Computing kpt #: 121 total cpu time spent up to now is 938.3 secs Computing kpt #: 122 total cpu time spent up to now is 946.0 secs Computing kpt #: 123 total cpu time spent up to now is 953.8 secs Computing kpt #: 124 total cpu time spent up to now is 961.6 secs Computing kpt #: 125 total cpu time spent up to now is 969.9 secs Computing kpt #: 126 total cpu time spent up to now is 978.3 secs Computing kpt #: 127 total cpu time spent up to now is 986.8 secs Computing kpt #: 128 total cpu time spent up to now is 995.4 secs Computing kpt #: 129 total cpu time spent up to now is 1004.4 secs Computing kpt #: 130 total cpu time spent up to now is 1013.2 secs Computing kpt #: 131 total cpu time spent up to now is 1022.2 secs Computing kpt #: 132 total cpu time spent up to now is 1031.3 secs Computing kpt #: 133 total cpu time spent up to now is 1041.9 secs Computing kpt #: 134 total cpu time spent up to now is 1052.4 secs Computing kpt #: 135 total cpu time spent up to now is 1066.2 secs Computing kpt #: 136 total cpu time spent up to now is 1075.0 secs Computing kpt #: 137 total cpu time spent up to now is 1083.6 secs Computing kpt #: 138 total cpu time spent up to now is 1092.1 secs Computing kpt #: 139 total cpu time spent up to now is 1100.4 secs Computing kpt #: 140 total cpu time spent up to now is 1108.8 secs Computing kpt #: 141 total cpu time spent up to now is 1116.6 secs Computing kpt #: 142 total cpu time spent up to now is 1125.1 secs Computing kpt #: 143 total cpu time spent up to now is 1132.7 secs Computing kpt #: 144 total cpu time spent up to now is 1140.4 secs Computing kpt #: 145 total cpu time spent up to now is 1148.0 secs Computing kpt #: 146 total cpu time spent up to now is 1155.5 secs Computing kpt #: 147 total cpu time spent up to now is 1162.9 secs Computing kpt #: 148 total cpu time spent up to now is 1170.4 secs Computing kpt #: 149 total cpu time spent up to now is 1177.8 secs Computing kpt #: 150 total cpu time spent up to now is 1185.1 secs Computing kpt #: 151 total cpu time spent up to now is 1192.7 secs Computing kpt #: 152 total cpu time spent up to now is 1200.4 secs Computing kpt #: 153 total cpu time spent up to now is 1207.7 secs Computing kpt #: 154 total cpu time spent up to now is 1215.2 secs Computing kpt #: 155 total cpu time spent up to now is 1222.5 secs Computing kpt #: 156 total cpu time spent up to now is 1229.8 secs Computing kpt #: 157 total cpu time spent up to now is 1237.5 secs Computing kpt #: 158 total cpu time spent up to now is 1244.8 secs Computing kpt #: 159 total cpu time spent up to now is 1252.1 secs Computing kpt #: 160 total cpu time spent up to now is 1259.4 secs Computing kpt #: 161 total cpu time spent up to now is 1266.9 secs Computing kpt #: 162 total cpu time spent up to now is 1274.2 secs Computing kpt #: 163 total cpu time spent up to now is 1281.6 secs Computing kpt #: 164 total cpu time spent up to now is 1288.9 secs Computing kpt #: 165 total cpu time spent up to now is 1296.3 secs Computing kpt #: 166 total cpu time spent up to now is 1303.7 secs Computing kpt #: 167 total cpu time spent up to now is 1311.0 secs Computing kpt #: 168 total cpu time spent up to now is 1318.7 secs Computing kpt #: 169 total cpu time spent up to now is 1325.9 secs Computing kpt #: 170 total cpu time spent up to now is 1333.2 secs Computing kpt #: 171 total cpu time spent up to now is 1342.1 secs Computing kpt #: 172 total cpu time spent up to now is 1349.4 secs Computing kpt #: 173 total cpu time spent up to now is 1357.0 secs Computing kpt #: 174 total cpu time spent up to now is 1364.5 secs Computing kpt #: 175 total cpu time spent up to now is 1372.2 secs Computing kpt #: 176 total cpu time spent up to now is 1379.8 secs Computing kpt #: 177 total cpu time spent up to now is 1387.5 secs Computing kpt #: 178 total cpu time spent up to now is 1395.5 secs Computing kpt #: 179 total cpu time spent up to now is 1403.2 secs Computing kpt #: 180 total cpu time spent up to now is 1411.1 secs Computing kpt #: 181 total cpu time spent up to now is 1419.0 secs Computing kpt #: 182 total cpu time spent up to now is 1429.1 secs Computing kpt #: 183 total cpu time spent up to now is 1437.3 secs Computing kpt #: 184 total cpu time spent up to now is 1445.6 secs Computing kpt #: 185 total cpu time spent up to now is 1453.9 secs Computing kpt #: 186 total cpu time spent up to now is 1462.3 secs Computing kpt #: 187 total cpu time spent up to now is 1470.6 secs Computing kpt #: 188 total cpu time spent up to now is 1479.1 secs Computing kpt #: 189 total cpu time spent up to now is 1487.7 secs Computing kpt #: 190 total cpu time spent up to now is 1496.1 secs Computing kpt #: 191 total cpu time spent up to now is 1504.8 secs Computing kpt #: 192 total cpu time spent up to now is 1513.3 secs Computing kpt #: 193 total cpu time spent up to now is 1522.0 secs Computing kpt #: 194 total cpu time spent up to now is 1530.9 secs Computing kpt #: 195 total cpu time spent up to now is 1539.4 secs Computing kpt #: 196 total cpu time spent up to now is 1548.1 secs Computing kpt #: 197 total cpu time spent up to now is 1558.9 secs ethr = 1.19E-11, avg # of iterations = 36.4 total cpu time spent up to now is 1559.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6451 PWs) bands (ev): -4.9333 -4.9333 -3.9155 -3.9155 -3.9152 -3.9152 -3.9152 -3.9152 0.0449 0.0449 0.0557 0.0557 0.0557 0.0557 0.4261 0.4261 3.7239 3.7239 3.7239 3.7239 3.7347 3.7347 4.5905 4.5905 4.6021 4.6021 4.6021 4.6021 4.8532 4.8532 4.8533 4.8533 4.9266 4.9266 5.0158 5.0158 5.0158 5.0158 5.5057 5.5057 5.6788 5.6788 5.6788 5.6788 5.9102 5.9102 5.9102 5.9102 6.1051 6.1051 6.1879 6.1879 6.2549 6.2549 6.2549 6.2549 6.3050 6.3050 6.3050 6.3050 6.4944 6.4944 6.4944 6.4944 6.5262 6.5262 6.8327 6.8327 6.9914 6.9914 7.0031 7.0031 7.0031 7.0031 7.9591 7.9591 8.1626 8.1626 8.1626 8.1626 8.8464 8.8464 8.8464 8.8464 8.9029 8.9029 10.5447 10.5447 11.5987 11.5987 11.5987 11.5987 11.7046 11.7046 12.5814 12.5814 12.7035 12.7035 12.7035 12.7035 k = 0.0000 0.0200-0.0000 ( 6467 PWs) bands (ev): -4.9324 -4.9324 -3.9257 -3.9256 -3.9152 -3.9150 -3.9060 -3.9057 0.0187 0.0266 0.0517 0.0530 0.0778 0.0842 0.4240 0.4247 3.7238 3.7244 3.7246 3.7268 3.7352 3.7367 4.5874 4.5926 4.5999 4.6013 4.6045 4.6048 4.8421 4.8514 4.8538 4.8560 4.9093 4.9358 4.9920 5.0143 5.0152 5.0274 5.5023 5.5162 5.6618 5.6707 5.6930 5.7023 5.8915 5.9108 5.9130 5.9160 6.1038 6.1089 6.1877 6.1914 6.2482 6.2487 6.2631 6.2638 6.3012 6.3050 6.3093 6.3148 6.4908 6.4938 6.4950 6.4995 6.5265 6.5267 6.8262 6.8342 6.9792 6.9877 7.0004 7.0050 7.0098 7.0188 7.9598 7.9609 8.1586 8.1623 8.1648 8.1666 8.8323 8.8396 8.8544 8.8652 8.8965 8.9158 10.5449 10.5466 11.5887 11.5949 11.6048 11.6077 11.6990 11.7117 12.5751 12.5773 12.6866 12.6950 12.7032 12.7042 k = 0.0000 0.0400-0.0000 ( 6495 PWs) bands (ev): -4.9297 -4.9297 -3.9368 -3.9367 -3.9146 -3.9143 -3.8974 -3.8970 -0.0102 -0.0028 0.0533 0.0534 0.1048 0.1120 0.4184 0.4198 3.7255 3.7261 3.7271 3.7324 3.7381 3.7415 4.5839 4.5935 4.5986 4.6018 4.6079 4.6083 4.8248 4.8454 4.8510 4.8536 4.8800 4.9374 4.9602 5.0103 5.0109 5.0340 5.5073 5.5236 5.6417 5.6822 5.7086 5.7374 5.8591 5.9002 5.9201 5.9271 6.1047 6.1151 6.1900 6.1956 6.2429 6.2451 6.2695 6.2728 6.3023 6.3090 6.3228 6.3314 6.4886 6.4932 6.4956 6.5058 6.5284 6.5285 6.8150 6.8310 6.9657 6.9727 7.0097 7.0138 7.0221 7.0351 7.9622 7.9642 8.1511 8.1584 8.1733 8.1768 8.8225 8.8343 8.8637 8.8880 8.8967 8.9350 10.5472 10.5505 11.5778 11.5928 11.6136 11.6157 11.6951 11.7199 12.5565 12.5573 12.6525 12.6645 12.7025 12.7046 k = 0.0000 0.0600-0.0000 ( 6487 PWs) bands (ev): -4.9254 -4.9253 -3.9488 -3.9488 -3.9136 -3.9131 -3.8894 -3.8889 -0.0394 -0.0322 0.0543 0.0552 0.1312 0.1389 0.4095 0.4117 3.7281 3.7289 3.7310 3.7382 3.7458 3.7498 4.5807 4.5930 4.5986 4.6035 4.6114 4.6133 4.8033 4.8305 4.8389 4.8397 4.8530 4.9059 4.9544 4.9996 5.0068 5.0415 5.5116 5.5187 5.6259 5.7119 5.7317 5.7800 5.8184 5.8808 5.9340 5.9416 6.1071 6.1225 6.1926 6.1979 6.2384 6.2429 6.2718 6.2786 6.3057 6.3176 6.3485 6.3549 6.4872 6.4931 6.4961 6.5119 6.5327 6.5339 6.8001 6.8240 6.9517 6.9580 7.0237 7.0292 7.0364 7.0522 7.9640 7.9667 8.1404 8.1504 8.1896 8.1943 8.8171 8.8310 8.8750 8.8996 8.9186 8.9603 10.5516 10.5566 11.5658 11.5915 11.6225 11.6249 11.6935 11.7290 12.5070 12.5172 12.6201 12.6244 12.7019 12.7049 k = 0.0000 0.0800-0.0000 ( 6491 PWs) bands (ev): -4.9192 -4.9192 -3.9619 -3.9618 -3.9121 -3.9114 -3.8821 -3.8815 -0.0685 -0.0615 0.0557 0.0575 0.1566 0.1646 0.3976 0.4006 3.7314 3.7324 3.7359 3.7434 3.7582 3.7616 4.5780 4.5918 4.5992 4.6065 4.6152 4.6194 4.7776 4.7910 4.8062 4.8093 4.8521 4.8785 4.9554 4.9854 5.0048 5.0499 5.4992 5.5016 5.6273 5.7461 5.7676 5.7762 5.8201 5.8654 5.9520 5.9581 6.1097 6.1297 6.1946 6.1977 6.2341 6.2412 6.2728 6.2810 6.3104 6.3303 6.3803 6.3824 6.4863 6.4939 6.4963 6.5166 6.5399 6.5453 6.7830 6.8143 6.9377 6.9437 7.0429 7.0509 7.0529 7.0705 7.9627 7.9661 8.1269 8.1386 8.2143 8.2197 8.8155 8.8302 8.8891 8.9096 8.9521 8.9912 10.5582 10.5647 11.5528 11.5898 11.6277 11.6384 11.6944 11.7386 12.4243 12.4491 12.5886 12.5967 12.7009 12.7048 k = 0.0000 0.1000-0.0000 ( 6483 PWs) bands (ev): -4.9114 -4.9113 -3.9761 -3.9759 -3.9102 -3.9094 -3.8754 -3.8747 -0.0973 -0.0904 0.0573 0.0599 0.1808 0.1892 0.3829 0.3868 3.7348 3.7363 3.7417 3.7492 3.7734 3.7762 4.5763 4.5891 4.5993 4.6106 4.6188 4.6267 4.7361 4.7514 4.7548 4.7834 4.8508 4.8693 4.9520 4.9702 5.0066 5.0578 5.4676 5.4762 5.6456 5.7284 5.7793 5.8194 5.8210 5.8915 5.9732 5.9765 6.1108 6.1347 6.1960 6.1963 6.2299 6.2396 6.2740 6.2814 6.3171 6.3458 6.4096 6.4120 6.4860 6.4958 6.4970 6.5218 6.5503 6.5622 6.7654 6.8036 6.9243 6.9301 7.0649 7.0752 7.0783 7.0911 7.9567 7.9614 8.1110 8.1231 8.2465 8.2525 8.8174 8.8321 8.9063 8.9242 8.9906 9.0274 10.5671 10.5749 11.5384 11.5866 11.6307 11.6532 11.6975 11.7483 12.3217 12.3590 12.5568 12.5751 12.6993 12.7043 k = 0.0000 0.1200-0.0000 ( 6491 PWs) bands (ev): -4.9018 -4.9018 -3.9913 -3.9910 -3.9079 -3.9070 -3.8692 -3.8684 -0.1254 -0.1185 0.0589 0.0625 0.2036 0.2124 0.3659 0.3708 3.7379 3.7400 3.7482 3.7559 3.7900 3.7924 4.5753 4.5785 4.5993 4.6158 4.6195 4.6347 4.6929 4.6935 4.7272 4.7556 4.8494 4.8662 4.9452 4.9556 5.0114 5.0643 5.4257 5.4458 5.6675 5.6854 5.8066 5.8132 5.8680 5.9350 5.9977 5.9978 6.1087 6.1357 6.1937 6.1984 6.2260 6.2379 6.2758 6.2807 6.3266 6.3629 6.4323 6.4397 6.4869 6.4946 6.5054 6.5299 6.5636 6.5835 6.7490 6.7931 6.9120 6.9178 7.0855 7.1062 7.1076 7.1189 7.9457 7.9529 8.0932 8.1042 8.2840 8.2908 8.8226 8.8367 8.9273 8.9437 9.0339 9.0686 10.5782 10.5873 11.5225 11.5811 11.6298 11.6679 11.7018 11.7569 12.2099 12.2588 12.5240 12.5501 12.6968 12.7032 k = 0.0000 0.1400-0.0000 ( 6495 PWs) bands (ev): -4.8906 -4.8906 -4.0076 -4.0073 -3.9053 -3.9042 -3.8636 -3.8626 -0.1525 -0.1457 0.0601 0.0648 0.2248 0.2342 0.3474 0.3533 3.7403 3.7430 3.7556 3.7635 3.8070 3.8093 4.5480 4.5691 4.6004 4.6038 4.6224 4.6406 4.6572 4.6710 4.7023 4.7283 4.8480 4.8652 4.9375 4.9424 5.0170 5.0684 5.3795 5.4122 5.6458 5.6810 5.8018 5.8455 5.9108 5.9720 6.0232 6.0275 6.1017 6.1316 6.1924 6.2018 6.2225 6.2367 6.2777 6.2791 6.3393 6.3808 6.4467 6.4621 6.4902 6.4933 6.5218 6.5419 6.5787 6.6077 6.7355 6.7843 6.9015 6.9072 7.1071 7.1306 7.1477 7.1575 7.9302 7.9412 8.0740 8.0821 8.3240 8.3320 8.8309 8.8442 8.9525 8.9684 9.0820 9.1149 10.5914 10.6017 11.5047 11.5728 11.6216 11.6799 11.7062 11.7620 12.0985 12.1588 12.4883 12.5198 12.6931 12.7014 k = 0.0000 0.1600-0.0000 ( 6491 PWs) bands (ev): -4.8778 -4.8777 -4.0251 -4.0247 -3.9023 -3.9010 -3.8584 -3.8573 -0.1785 -0.1716 0.0603 0.0663 0.2442 0.2544 0.3281 0.3351 3.7414 3.7449 3.7637 3.7718 3.8233 3.8259 4.4998 4.5294 4.5924 4.6002 4.6269 4.6372 4.6511 4.6713 4.6894 4.7079 4.8471 4.8657 4.9304 4.9314 5.0220 5.0694 5.3317 5.3771 5.6109 5.6803 5.8113 5.8728 5.9455 5.9982 6.0531 6.0604 6.0895 6.1220 6.1934 6.2074 6.2198 6.2372 6.2770 6.2792 6.3547 6.3988 6.4527 6.4804 6.4926 6.4978 6.5450 6.5571 6.5947 6.6323 6.7271 6.7782 6.8935 6.8993 7.1304 7.1557 7.1939 7.2019 7.9108 7.9273 8.0539 8.0571 8.3641 8.3737 8.8421 8.8544 8.9821 8.9983 9.1349 9.1661 10.6065 10.6181 11.4841 11.5609 11.5998 11.6812 11.7104 11.7604 12.0025 12.0693 12.4498 12.4829 12.6876 12.6988 k = 0.0000 0.1800-0.0000 ( 6495 PWs) bands (ev): -4.8633 -4.8632 -4.0437 -4.0433 -3.8989 -3.8976 -3.8537 -3.8525 -0.2029 -0.1961 0.0589 0.0664 0.2614 0.2731 0.3095 0.3171 3.7411 3.7451 3.7721 3.7808 3.8380 3.8412 4.4455 4.4716 4.5891 4.5902 4.6224 4.6310 4.6530 4.6754 4.6999 4.7052 4.8472 4.8677 4.9229 4.9251 5.0257 5.0668 5.2841 5.3418 5.5815 5.6699 5.8291 5.8923 5.9730 6.0153 6.0724 6.0847 6.0898 6.1078 6.1979 6.2150 6.2187 6.2411 6.2744 6.2806 6.3710 6.4160 6.4534 6.4923 6.4985 6.5106 6.5710 6.5740 6.6114 6.6523 6.7277 6.7758 6.8894 6.8951 7.1557 7.1822 7.2446 7.2500 7.8880 7.9120 8.0297 8.0333 8.4017 8.4133 8.8561 8.8675 9.0162 9.0336 9.1923 9.2220 10.6231 10.6360 11.4590 11.5386 11.5632 11.6508 11.7155 11.7563 11.9419 11.9986 12.4101 12.4397 12.6800 12.6951 k = 0.0000 0.2000-0.0000 ( 6475 PWs) bands (ev): -4.8473 -4.8472 -4.0635 -4.0631 -3.8953 -3.8938 -3.8494 -3.8481 -0.2257 -0.2189 0.0551 0.0643 0.2732 0.2900 0.2959 0.3005 3.7390 3.7435 3.7805 3.7900 3.8503 3.8544 4.3915 4.4141 4.5620 4.5728 4.6191 4.6337 4.6610 4.6821 4.7191 4.7225 4.8496 4.8720 4.9178 4.9224 5.0277 5.0605 5.2378 5.3073 5.5581 5.6564 5.8479 5.9030 5.9943 6.0241 6.0514 6.0893 6.1116 6.1145 6.2051 6.2172 6.2274 6.2501 6.2717 6.2830 6.3862 6.4311 6.4523 6.4942 6.5172 6.5276 6.5916 6.5964 6.6292 6.6632 6.7410 6.7782 6.8904 6.8960 7.1826 7.2099 7.2985 7.3004 7.8624 7.8957 8.0005 8.0130 8.4349 8.4488 8.8729 8.8835 9.0550 9.0740 9.2544 9.2827 10.6408 10.6548 11.4249 11.4781 11.5380 11.5820 11.7224 11.7600 11.9192 11.9478 12.3723 12.3917 12.6693 12.6903 k = 0.0000 0.2200-0.0000 ( 6499 PWs) bands (ev): -4.8298 -4.8297 -4.0844 -4.0840 -3.8915 -3.8899 -3.8456 -3.8442 -0.2466 -0.2397 0.0480 0.0587 0.2685 0.2862 0.2997 0.3054 3.7352 3.7401 3.7884 3.7989 3.8597 3.8650 4.3408 4.3606 4.5275 4.5399 4.6244 4.6407 4.6702 4.6889 4.7421 4.7504 4.8553 4.8794 4.9171 4.9235 5.0277 5.0506 5.1940 5.2743 5.5408 5.6433 5.8638 5.9057 6.0089 6.0218 6.0299 6.0687 6.1265 6.1388 6.2133 6.2196 6.2407 6.2609 6.2692 6.2893 6.3984 6.4384 6.4560 6.4971 6.5389 6.5468 6.6085 6.6176 6.6494 6.6685 6.7634 6.7864 6.8984 6.9033 7.2104 7.2381 7.3518 7.3541 7.8342 7.8784 7.9705 7.9937 8.4618 8.4784 8.8925 8.9024 9.0980 9.1189 9.3211 9.3480 10.6584 10.6736 11.3716 11.3936 11.5087 11.5173 11.7312 11.7680 11.9092 11.9147 12.3399 12.3419 12.6545 12.6842 k = 0.0000 0.2400-0.0000 ( 6491 PWs) bands (ev): -4.8109 -4.8108 -4.1065 -4.1061 -3.8875 -3.8857 -3.8422 -3.8407 -0.2653 -0.2583 0.0369 0.0489 0.2583 0.2755 0.3109 0.3190 3.7297 3.7349 3.7951 3.8070 3.8661 3.8730 4.2955 4.3131 4.4900 4.5015 4.6323 4.6492 4.6773 4.6924 4.7693 4.7808 4.8660 4.8910 4.9234 4.9305 5.0254 5.0379 5.1540 5.2433 5.5296 5.6321 5.8755 5.9017 5.9998 6.0155 6.0180 6.0470 6.1374 6.1570 6.2224 6.2252 6.2544 6.2669 6.2683 6.3027 6.4071 6.4358 6.4669 6.5006 6.5629 6.5664 6.6225 6.6331 6.6728 6.6760 6.7893 6.8016 6.9147 6.9181 7.2384 7.2659 7.4032 7.4101 7.8036 7.8592 7.9416 7.9761 8.4811 8.5004 8.9149 8.9242 9.1449 9.1677 9.3922 9.4179 10.6748 10.6904 11.2936 11.3024 11.4557 11.4946 11.7415 11.7765 11.8737 11.9135 12.2941 12.3159 12.6341 12.6768 k = 0.0000 0.2600-0.0000 ( 6483 PWs) bands (ev): -4.7905 -4.7904 -4.1297 -4.1293 -3.8833 -3.8814 -3.8392 -3.8376 -0.2816 -0.2746 0.0216 0.0343 0.2514 0.2689 0.3218 0.3309 3.7229 3.7282 3.7997 3.8132 3.8699 3.8786 4.2571 4.2731 4.4508 4.4609 4.6404 4.6575 4.6805 4.6911 4.7960 4.8090 4.8820 4.9069 4.9402 4.9469 5.0204 5.0239 5.1196 5.2150 5.5241 5.6235 5.8825 5.8920 5.9731 6.0023 6.0103 6.0287 6.1455 6.1696 6.2329 6.2340 6.2604 6.2687 6.2752 6.3189 6.4126 6.4304 6.4779 6.5038 6.5844 6.5865 6.6322 6.6433 6.6912 6.6990 6.8168 6.8241 6.9397 6.9410 7.2656 7.2920 7.4538 7.4655 7.7706 7.8358 7.9169 7.9610 8.4914 8.5134 8.9401 8.9491 9.1947 9.2192 9.4676 9.4919 10.6881 10.7027 11.2066 11.2138 11.4175 11.4691 11.7519 11.7843 11.8371 11.9078 12.2525 12.3015 12.6065 12.6682 k = 0.0000 0.2800-0.0000 ( 6491 PWs) bands (ev): -4.7689 -4.7688 -4.1540 -4.1535 -3.8790 -3.8770 -3.8367 -3.8349 -0.2955 -0.2884 0.0022 0.0152 0.2487 0.2662 0.3312 0.3410 3.7148 3.7203 3.8012 3.8159 3.8721 3.8823 4.2271 4.2419 4.4106 4.4192 4.6472 4.6616 4.6794 4.6881 4.8173 4.8294 4.9044 4.9256 4.9683 4.9757 5.0111 5.0127 5.0937 5.1905 5.5237 5.6177 5.8777 5.8851 5.9457 5.9810 5.9898 6.0182 6.1519 6.1785 6.2443 6.2443 6.2602 6.2690 6.2874 6.3331 6.4157 6.4245 6.4864 6.5058 6.5995 6.6054 6.6396 6.6494 6.7153 6.7280 6.8468 6.8525 6.9716 6.9721 7.2913 7.3155 7.5028 7.5191 7.7355 7.8060 7.8993 7.9490 8.4917 8.5163 8.9684 8.9770 9.2464 9.2721 9.5470 9.5698 10.6962 10.7065 11.1272 11.1344 11.3846 11.4407 11.7569 11.7907 11.8043 11.8947 12.2196 12.2952 12.5713 12.6583 k = 0.0000 0.3000-0.0000 ( 6483 PWs) bands (ev): -4.7460 -4.7459 -4.1792 -4.1788 -3.8746 -3.8725 -3.8345 -3.8327 -0.3068 -0.2996 -0.0203 -0.0076 0.2498 0.2670 0.3390 0.3493 3.7061 3.7115 3.7983 3.8134 3.8746 3.8853 4.2064 4.2202 4.3700 4.3772 4.6486 4.6531 4.6779 4.6923 4.8314 4.8410 4.9304 4.9420 4.9929 5.0036 5.0136 5.0164 5.0812 5.1729 5.5276 5.6148 5.8595 5.8837 5.9182 5.9553 5.9640 6.0071 6.1574 6.1855 6.2521 6.2546 6.2627 6.2703 6.2983 6.3440 6.4173 6.4187 6.4921 6.5062 6.6113 6.6167 6.6472 6.6525 6.7472 6.7605 6.8801 6.8847 7.0090 7.0103 7.3149 7.3358 7.5499 7.5704 7.6984 7.7700 7.8891 7.9406 8.4810 8.5081 8.9997 9.0079 9.2988 9.3246 9.6299 9.6511 10.6972 10.6976 11.0650 11.0683 11.3535 11.4095 11.7367 11.7957 11.7977 11.8751 12.1950 12.2934 12.5291 12.6464 k = 0.0000 0.3200-0.0000 ( 6491 PWs) bands (ev): -4.7219 -4.7218 -4.2054 -4.2050 -3.8702 -3.8680 -3.8328 -3.8309 -0.3154 -0.3081 -0.0453 -0.0330 0.2539 0.2707 0.3452 0.3559 3.6970 3.7024 3.7905 3.8047 3.8789 3.8890 4.1951 4.2083 4.3293 4.3352 4.6340 4.6388 4.6820 4.7026 4.8400 4.8474 4.9467 4.9470 4.9967 4.9985 5.0461 5.0608 5.0919 5.1701 5.5350 5.6146 5.8378 5.8783 5.8907 5.9261 5.9364 5.9932 6.1624 6.1915 6.2530 6.2594 6.2717 6.2765 6.3068 6.3515 6.4136 6.4180 6.4950 6.5049 6.6198 6.6225 6.6536 6.6539 6.7849 6.7965 6.9163 6.9184 7.0515 7.0523 7.3366 7.3533 7.5940 7.6184 7.6598 7.7302 7.8844 7.9358 8.4589 8.4883 9.0341 9.0419 9.3501 9.3748 9.7158 9.7350 10.6742 10.6902 11.0172 11.0234 11.3230 11.3758 11.7030 11.7988 11.8093 11.8529 12.1758 12.2918 12.4815 12.6296 k = 0.0000 0.3400-0.0000 ( 6499 PWs) bands (ev): -4.6968 -4.6966 -4.2325 -4.2321 -3.8659 -3.8636 -3.8316 -3.8295 -0.3211 -0.3137 -0.0717 -0.0600 0.2601 0.2765 0.3496 0.3608 3.6880 3.6934 3.7781 3.7907 3.8854 3.8941 4.1925 4.2053 4.2890 4.2940 4.6095 4.6200 4.6906 4.7153 4.8449 4.8516 4.9392 4.9452 4.9911 5.0084 5.0777 5.0968 5.1360 5.1929 5.5451 5.6168 5.8126 5.8611 5.8706 5.8958 5.9081 5.9767 6.1675 6.1968 6.2516 6.2590 6.2822 6.2867 6.3131 6.3560 6.4095 6.4185 6.4952 6.5021 6.6259 6.6263 6.6533 6.6585 6.8264 6.8357 6.9518 6.9543 7.0958 7.0960 7.3575 7.3695 7.6189 7.6310 7.6638 7.6919 7.8835 7.9344 8.4253 8.4567 9.0717 9.0790 9.3984 9.4205 9.8039 9.8205 10.6400 10.6767 10.9800 10.9994 11.2932 11.3400 11.6734 11.7999 11.8250 11.8334 12.1580 12.2853 12.4309 12.5993 k = 0.0000 0.3600-0.0000 ( 6495 PWs) bands (ev): -4.6707 -4.6705 -4.2604 -4.2599 -3.8616 -3.8592 -3.8307 -3.8286 -0.3240 -0.3165 -0.0988 -0.0876 0.2679 0.2838 0.3524 0.3639 3.6796 3.6849 3.7624 3.7735 3.8939 3.9012 4.1974 4.2093 4.2498 4.2545 4.5815 4.5957 4.7010 4.7294 4.8472 4.8550 4.9270 4.9370 4.9835 5.0047 5.1152 5.1354 5.1937 5.2372 5.5571 5.6209 5.7838 5.8302 5.8548 5.8698 5.8800 5.9582 6.1727 6.2018 6.2499 6.2568 6.2921 6.2973 6.3174 6.3580 6.4069 6.4192 6.4932 6.4981 6.6294 6.6302 6.6523 6.6609 6.8700 6.8774 6.9839 6.9927 7.1372 7.1382 7.3800 7.3878 7.5791 7.6255 7.6913 7.7043 7.8847 7.9358 8.3808 8.4140 9.1123 9.1190 9.4411 9.4594 9.8932 9.9063 10.6019 10.6596 10.9539 10.9865 11.2640 11.3025 11.6529 11.7984 11.8207 11.8420 12.1391 12.2681 12.3807 12.5494 k = 0.0000 0.3800-0.0000 ( 6491 PWs) bands (ev): -4.6436 -4.6434 -4.2889 -4.2885 -3.8574 -3.8550 -3.8304 -3.8281 -0.3240 -0.3163 -0.1260 -0.1153 0.2767 0.2921 0.3535 0.3654 3.6722 3.6774 3.7451 3.7548 3.9044 3.9103 4.2026 4.2063 4.2176 4.2299 4.5512 4.5677 4.7124 4.7445 4.8470 4.8582 4.9158 4.9278 4.9742 4.9892 5.1608 5.1798 5.2537 5.2907 5.5701 5.6262 5.7510 5.7946 5.8308 5.8533 5.8534 5.9380 6.1783 6.2063 6.2478 6.2535 6.3009 6.3071 6.3202 6.3582 6.4059 6.4205 6.4891 6.4929 6.6325 6.6332 6.6509 6.6617 6.9146 6.9210 7.0143 7.0311 7.1712 7.1731 7.4051 7.4137 7.5424 7.5823 7.7236 7.7406 7.8865 7.9391 8.3264 8.3614 9.1558 9.1618 9.4757 9.4891 9.9825 9.9910 10.5655 10.6410 10.9368 10.9798 11.2353 11.2637 11.6434 11.7948 11.8164 11.8592 12.1182 12.2352 12.3352 12.4873 k = 0.0000 0.4000-0.0000 ( 6495 PWs) bands (ev): -4.6158 -4.6156 -4.3180 -4.3176 -3.8534 -3.8510 -3.8304 -3.8281 -0.3211 -0.3133 -0.1526 -0.1424 0.2860 0.3010 0.3531 0.3653 3.6660 3.6712 3.7277 3.7362 3.9168 3.9218 4.1718 4.1728 4.2280 4.2424 4.5194 4.5372 4.7244 4.7607 4.8435 4.8616 4.9080 4.9189 4.9643 4.9688 5.2108 5.2277 5.3127 5.3464 5.5829 5.6317 5.7140 5.7546 5.8069 5.8294 5.8386 5.9165 6.1843 6.2106 6.2454 6.2495 6.3083 6.3158 6.3219 6.3570 6.4070 6.4226 6.4834 6.4869 6.6354 6.6355 6.6493 6.6613 6.9592 6.9658 7.0427 7.0691 7.1927 7.1967 7.4223 7.4518 7.5233 7.5338 7.7563 7.7718 7.8880 7.9434 8.2640 8.3008 9.2016 9.2067 9.4997 9.5079 10.0706 10.0728 10.5334 10.6210 10.9286 10.9776 11.2068 11.2240 11.6451 11.7917 11.8179 11.8753 12.0967 12.1884 12.2946 12.4206 k = 0.0000 0.4200-0.0000 ( 6479 PWs) bands (ev): -4.5873 -4.5870 -4.3476 -4.3472 -3.8496 -3.8472 -3.8310 -3.8286 -0.3153 -0.3074 -0.1783 -0.1685 0.2955 0.3102 0.3512 0.3637 3.6616 3.6668 3.7111 3.7188 3.9315 3.9355 4.1367 4.1372 4.2483 4.2630 4.4868 4.5052 4.7369 4.7778 4.8367 4.8653 4.9045 4.9105 4.9466 4.9542 5.2631 5.2777 5.3687 5.4005 5.5941 5.6356 5.6730 5.7121 5.7862 5.8097 5.8236 5.8940 6.1907 6.2146 6.2428 6.2447 6.3141 6.3228 6.3232 6.3550 6.4103 6.4259 6.4763 6.4802 6.6371 6.6386 6.6477 6.6601 7.0027 7.0112 7.0691 7.1074 7.2007 7.2088 7.4061 7.4838 7.5030 7.5474 7.7850 7.7968 7.8886 7.9484 8.1960 8.2347 9.2493 9.2533 9.5111 9.5148 10.1499 10.1558 10.5055 10.5978 10.9304 10.9804 11.1781 11.1839 11.6574 11.7898 11.8224 11.8874 12.0780 12.1374 12.2551 12.3534 k = 0.0000 0.4400-0.0000 ( 6467 PWs) bands (ev): -4.5581 -4.5579 -4.3776 -4.3772 -3.8461 -3.8436 -3.8319 -3.8295 -0.3067 -0.2987 -0.2027 -0.1932 0.3049 0.3193 0.3479 0.3606 3.6591 3.6643 3.6963 3.7032 3.9485 3.9518 4.1032 4.1032 4.2722 4.2873 4.4539 4.4723 4.7498 4.7959 4.8270 4.8694 4.9025 4.9048 4.9242 4.9444 5.3165 5.3285 5.4193 5.4509 5.6009 5.6286 5.6349 5.6694 5.7702 5.7959 5.8082 5.8708 6.1974 6.2184 6.2391 6.2398 6.3183 6.3234 6.3295 6.3524 6.4155 6.4304 6.4680 6.4729 6.6385 6.6418 6.6462 6.6583 7.0438 7.0560 7.0930 7.1464 7.1978 7.2125 7.3685 7.4331 7.5640 7.6002 7.8060 7.8138 7.8900 7.9544 8.1255 8.1664 9.2977 9.3004 9.5091 9.5095 10.2207 10.2365 10.4798 10.5691 10.9429 10.9895 11.1438 11.1486 11.6794 11.7898 11.8262 11.8890 12.0678 12.0955 12.2148 12.2882 k = 0.0000 0.4600-0.0000 ( 6464 PWs) bands (ev): -4.5285 -4.5283 -4.4078 -4.4074 -3.8428 -3.8403 -3.8333 -3.8309 -0.2954 -0.2872 -0.2255 -0.2163 0.3140 0.3281 0.3432 0.3562 3.6589 3.6642 3.6837 3.6901 3.9679 3.9706 4.0713 4.0718 4.2987 4.3144 4.4211 4.4392 4.7630 4.8149 4.8154 4.8737 4.8935 4.9038 4.9079 4.9352 5.3703 5.3788 5.4607 5.4951 5.5821 5.6002 5.6212 5.6355 5.7615 5.7905 5.7932 5.8478 6.2045 6.2221 6.2329 6.2366 6.3211 6.3237 6.3347 6.3494 6.4225 6.4360 6.4590 6.4653 6.6397 6.6447 6.6448 6.6560 7.0812 7.0973 7.1142 7.1774 7.1970 7.2130 7.3254 7.3824 7.6300 7.6618 7.8114 7.8190 7.8978 7.9628 8.0571 8.1006 9.3457 9.3470 9.4929 9.4943 10.2839 10.3113 10.4531 10.5334 10.9650 11.0058 11.1041 11.1182 11.7099 11.7924 11.8250 11.8715 12.0716 12.0759 12.1747 12.2273 k = 0.0000 0.4800-0.0000 ( 6476 PWs) bands (ev): -4.4986 -4.4983 -4.4381 -4.4378 -3.8399 -3.8374 -3.8351 -3.8326 -0.2815 -0.2731 -0.2464 -0.2375 0.3226 0.3364 0.3373 0.3506 3.6612 3.6666 3.6735 3.6795 3.9899 3.9920 4.0417 4.0427 4.3272 4.3436 4.3888 4.4065 4.7763 4.8028 4.8346 4.8739 4.8816 4.8920 4.9128 4.9267 5.4238 5.4266 5.4815 5.5190 5.5468 5.5895 5.5978 5.6169 5.7613 5.7793 5.7947 5.8260 6.2117 6.2258 6.2260 6.2330 6.3227 6.3237 6.3391 6.3462 6.4308 6.4426 6.4495 6.4575 6.6408 6.6433 6.6478 6.6535 7.1140 7.1272 7.1316 7.1646 7.2194 7.2363 7.2821 7.3321 7.6953 7.7227 7.7936 7.8072 7.9175 7.9772 7.9967 8.0439 9.3914 9.3915 9.4664 9.4682 10.3385 10.3790 10.4222 10.4901 10.9942 11.0287 11.0654 11.0871 11.7479 11.7986 11.8179 11.8353 12.0818 12.0918 12.1370 12.1726 k = 0.0000 0.5000-0.0000 ( 6480 PWs) bands (ev): -4.4684 -4.4684 -4.4681 -4.4681 -3.8373 -3.8373 -3.8348 -3.8348 -0.2651 -0.2651 -0.2564 -0.2564 0.3304 0.3304 0.3440 0.3440 3.6660 3.6660 3.6717 3.6717 4.0145 4.0145 4.0161 4.0161 4.3574 4.3574 4.3744 4.3744 4.7897 4.7897 4.8549 4.8549 4.8854 4.8854 4.9192 4.9192 5.4663 5.4663 5.4759 5.4759 5.5689 5.5689 5.5996 5.5996 5.7680 5.7680 5.8074 5.8074 6.2189 6.2189 6.2294 6.2294 6.3235 6.3235 6.3428 6.3428 6.4399 6.4399 6.4498 6.4498 6.6420 6.6420 6.6507 6.6507 7.1382 7.1382 7.1419 7.1419 7.2436 7.2436 7.2831 7.2831 7.7528 7.7528 7.7741 7.7741 7.9499 7.9499 8.0026 8.0026 9.4319 9.4319 9.4331 9.4331 10.3844 10.3844 10.4387 10.4387 11.0283 11.0283 11.0566 11.0566 11.7912 11.7912 11.8078 11.8078 12.1046 12.1046 12.1265 12.1265 k = 0.0000 0.5000-0.0000 ( 6480 PWs) bands (ev): -4.4684 -4.4684 -4.4681 -4.4681 -3.8373 -3.8373 -3.8348 -3.8348 -0.2651 -0.2651 -0.2564 -0.2564 0.3304 0.3304 0.3440 0.3440 3.6660 3.6660 3.6717 3.6717 4.0145 4.0145 4.0161 4.0161 4.3574 4.3574 4.3744 4.3744 4.7897 4.7897 4.8549 4.8549 4.8854 4.8854 4.9192 4.9192 5.4663 5.4663 5.4759 5.4759 5.5689 5.5689 5.5996 5.5996 5.7680 5.7680 5.8074 5.8074 6.2189 6.2189 6.2294 6.2294 6.3235 6.3235 6.3428 6.3428 6.4399 6.4399 6.4498 6.4498 6.6420 6.6420 6.6507 6.6507 7.1382 7.1382 7.1419 7.1419 7.2436 7.2436 7.2831 7.2831 7.7528 7.7528 7.7741 7.7741 7.9499 7.9499 8.0026 8.0026 9.4319 9.4319 9.4331 9.4331 10.3844 10.3844 10.4387 10.4387 11.0283 11.0283 11.0566 11.0566 11.7912 11.7912 11.8078 11.8078 12.1046 12.1046 12.1265 12.1265 k = 0.0200 0.5000-0.0000 ( 6478 PWs) bands (ev): -4.4678 -4.4678 -4.4675 -4.4675 -3.8376 -3.8376 -3.8352 -3.8352 -0.2663 -0.2663 -0.2577 -0.2577 0.3303 0.3303 0.3438 0.3438 3.6640 3.6640 3.6700 3.6700 4.0147 4.0147 4.0179 4.0179 4.3591 4.3591 4.3766 4.3766 4.7884 4.7884 4.8535 4.8535 4.8878 4.8878 4.9217 4.9217 5.4654 5.4654 5.4735 5.4735 5.5691 5.5691 5.6001 5.6001 5.7672 5.7672 5.8067 5.8067 6.2173 6.2173 6.2273 6.2273 6.3186 6.3186 6.3518 6.3518 6.4377 6.4377 6.4533 6.4533 6.6399 6.6399 6.6531 6.6531 7.1317 7.1317 7.1530 7.1530 7.2432 7.2432 7.2853 7.2853 7.7529 7.7529 7.7755 7.7755 7.9494 7.9494 8.0017 8.0017 9.4313 9.4313 9.4340 9.4340 10.3847 10.3847 10.4393 10.4393 11.0258 11.0258 11.0600 11.0600 11.7909 11.7909 11.8065 11.8065 12.1030 12.1030 12.1309 12.1309 k = 0.0400 0.5000-0.0000 ( 6470 PWs) bands (ev): -4.4660 -4.4660 -4.4657 -4.4657 -3.8386 -3.8386 -3.8362 -3.8362 -0.2699 -0.2699 -0.2613 -0.2613 0.3298 0.3298 0.3433 0.3433 3.6583 3.6583 3.6652 3.6652 4.0163 4.0163 4.0218 4.0218 4.3639 4.3639 4.3831 4.3831 4.7844 4.7844 4.8488 4.8488 4.8953 4.8953 4.9294 4.9294 5.4625 5.4625 5.4668 5.4668 5.5699 5.5699 5.6015 5.6015 5.7649 5.7649 5.8047 5.8047 6.2132 6.2132 6.2204 6.2204 6.3143 6.3143 6.3681 6.3681 6.4344 6.4344 6.4602 6.4602 6.6363 6.6363 6.6576 6.6576 7.1281 7.1281 7.1697 7.1697 7.2423 7.2423 7.2917 7.2917 7.7535 7.7535 7.7794 7.7794 7.9480 7.9480 7.9993 7.9993 9.4308 9.4308 9.4358 9.4358 10.3855 10.3855 10.4410 10.4410 11.0206 11.0206 11.0678 11.0678 11.7899 11.7899 11.8024 11.8024 12.1004 12.1004 12.1414 12.1414 k = 0.0600 0.5000-0.0000 ( 6474 PWs) bands (ev): -4.4631 -4.4631 -4.4627 -4.4627 -3.8403 -3.8403 -3.8378 -3.8378 -0.2757 -0.2757 -0.2672 -0.2672 0.3290 0.3290 0.3425 0.3425 3.6496 3.6496 3.6575 3.6575 4.0195 4.0195 4.0270 4.0270 4.3716 4.3716 4.3931 4.3931 4.7778 4.7778 4.8408 4.8408 4.9082 4.9082 4.9421 4.9421 5.4539 5.4539 5.4603 5.4603 5.5714 5.5714 5.6040 5.6040 5.7612 5.7612 5.8014 5.8014 6.2076 6.2077 6.2093 6.2093 6.3149 6.3149 6.3856 6.3856 6.4323 6.4323 6.4683 6.4683 6.6332 6.6332 6.6623 6.6623 7.1280 7.1280 7.1889 7.1889 7.2423 7.2423 7.3014 7.3014 7.7546 7.7546 7.7847 7.7847 7.9467 7.9467 7.9962 7.9962 9.4310 9.4310 9.4384 9.4384 10.3866 10.3866 10.4434 10.4434 11.0152 11.0152 11.0770 11.0770 11.7868 11.7868 11.7962 11.7962 12.0989 12.0989 12.1554 12.1554 k = 0.0800 0.5000-0.0000 ( 6462 PWs) bands (ev): -4.4590 -4.4590 -4.4586 -4.4586 -3.8427 -3.8427 -3.8402 -3.8402 -0.2837 -0.2837 -0.2754 -0.2754 0.3279 0.3279 0.3414 0.3414 3.6389 3.6389 3.6476 3.6476 4.0240 4.0240 4.0330 4.0330 4.3813 4.3813 4.4060 4.4060 4.7685 4.7685 4.8294 4.8294 4.9264 4.9264 4.9598 4.9598 5.4402 5.4402 5.4551 5.4551 5.5738 5.5738 5.6075 5.6075 5.7564 5.7564 5.7969 5.7969 6.1943 6.1943 6.2031 6.2031 6.3191 6.3191 6.4016 6.4016 6.4331 6.4331 6.4771 6.4771 6.6311 6.6311 6.6671 6.6671 7.1304 7.1304 7.2064 7.2064 7.2466 7.2466 7.3137 7.3137 7.7558 7.7558 7.7902 7.7902 7.9467 7.9467 7.9943 7.9943 9.4323 9.4323 9.4420 9.4420 10.3877 10.3877 10.4462 10.4462 11.0103 11.0103 11.0860 11.0860 11.7781 11.7781 11.7904 11.7904 12.0986 12.0986 12.1713 12.1714 k = 0.1000 0.5000-0.0000 ( 6458 PWs) bands (ev): -4.4537 -4.4537 -4.4534 -4.4534 -3.8457 -3.8457 -3.8432 -3.8432 -0.2936 -0.2936 -0.2855 -0.2855 0.3264 0.3264 0.3398 0.3398 3.6272 3.6272 3.6364 3.6364 4.0292 4.0292 4.0392 4.0392 4.3923 4.3923 4.4206 4.4206 4.7563 4.7563 4.8146 4.8146 4.9495 4.9495 4.9826 4.9826 5.4247 5.4247 5.4496 5.4496 5.5772 5.5772 5.6123 5.6123 5.7507 5.7507 5.7916 5.7917 6.1791 6.1791 6.1980 6.1980 6.3250 6.3250 6.4116 6.4116 6.4406 6.4406 6.4860 6.4860 6.6305 6.6305 6.6718 6.6718 7.1338 7.1338 7.2150 7.2150 7.2607 7.2607 7.3280 7.3280 7.7558 7.7558 7.7942 7.7942 7.9498 7.9498 7.9964 7.9964 9.4352 9.4352 9.4470 9.4470 10.3883 10.3883 10.4487 10.4487 11.0061 11.0061 11.0938 11.0938 11.7623 11.7623 11.7844 11.7844 12.0986 12.0986 12.1877 12.1877 k = 0.1200 0.5000-0.0000 ( 6446 PWs) bands (ev): -4.4474 -4.4474 -4.4470 -4.4470 -3.8493 -3.8493 -3.8470 -3.8470 -0.3053 -0.3053 -0.2974 -0.2974 0.3246 0.3246 0.3378 0.3378 3.6152 3.6152 3.6246 3.6246 4.0347 4.0347 4.0454 4.0454 4.4033 4.4033 4.4356 4.4356 4.7415 4.7415 4.7966 4.7966 4.9773 4.9773 5.0103 5.0103 5.4091 5.4091 5.4443 5.4443 5.5818 5.5818 5.6184 5.6184 5.7446 5.7446 5.7859 5.7859 6.1641 6.1641 6.1934 6.1934 6.3313 6.3314 6.4149 6.4149 6.4546 6.4546 6.4953 6.4953 6.6318 6.6318 6.6768 6.6768 7.1368 7.1369 7.2149 7.2149 7.2827 7.2827 7.3438 7.3438 7.7528 7.7528 7.7946 7.7946 7.9582 7.9582 8.0061 8.0061 9.4400 9.4400 9.4538 9.4538 10.3879 10.3879 10.4503 10.4504 11.0022 11.0022 11.0994 11.0994 11.7397 11.7397 11.7750 11.7750 12.0971 12.0971 12.2027 12.2027 k = 0.1400 0.5000-0.0000 ( 6462 PWs) bands (ev): -4.4400 -4.4400 -4.4396 -4.4396 -3.8537 -3.8537 -3.8514 -3.8514 -0.3184 -0.3184 -0.3108 -0.3108 0.3224 0.3224 0.3354 0.3354 3.6037 3.6037 3.6130 3.6130 4.0403 4.0403 4.0514 4.0514 4.4132 4.4132 4.4498 4.4498 4.7242 4.7242 4.7756 4.7756 5.0090 5.0090 5.0426 5.0426 5.3951 5.3951 5.4402 5.4402 5.5875 5.5875 5.6258 5.6258 5.7383 5.7383 5.7800 5.7800 6.1499 6.1500 6.1891 6.1891 6.3370 6.3370 6.4160 6.4160 6.4691 6.4691 6.5062 6.5062 6.6349 6.6349 6.6822 6.6822 7.1382 7.1383 7.2106 7.2106 7.3062 7.3062 7.3605 7.3605 7.7453 7.7453 7.7899 7.7899 7.9740 7.9740 8.0259 8.0259 9.4472 9.4472 9.4627 9.4627 10.3862 10.3862 10.4505 10.4505 10.9980 10.9980 11.1019 11.1019 11.7098 11.7098 11.7592 11.7592 12.0913 12.0913 12.2153 12.2153 k = 0.1600 0.5000-0.0000 ( 6462 PWs) bands (ev): -4.4317 -4.4317 -4.4313 -4.4313 -3.8587 -3.8587 -3.8564 -3.8564 -0.3328 -0.3328 -0.3255 -0.3255 0.3198 0.3198 0.3325 0.3325 3.5932 3.5932 3.6024 3.6024 4.0456 4.0456 4.0571 4.0571 4.4207 4.4207 4.4620 4.4620 4.7051 4.7051 4.7521 4.7521 5.0437 5.0437 5.0792 5.0792 5.3842 5.3842 5.4384 5.4384 5.5945 5.5945 5.6343 5.6343 5.7323 5.7323 5.7747 5.7747 6.1371 6.1371 6.1852 6.1852 6.3413 6.3413 6.4168 6.4168 6.4801 6.4801 6.5207 6.5207 6.6397 6.6397 6.6885 6.6885 7.1371 7.1371 7.2037 7.2037 7.3282 7.3282 7.3772 7.3772 7.7334 7.7334 7.7799 7.7799 7.9991 7.9991 8.0556 8.0556 9.4571 9.4571 9.4741 9.4741 10.3827 10.3827 10.4485 10.4485 10.9928 10.9928 11.1005 11.1005 11.6716 11.6716 11.7342 11.7342 12.0790 12.0790 12.2260 12.2260 k = 0.1800 0.5000-0.0000 ( 6478 PWs) bands (ev): -4.4224 -4.4224 -4.4220 -4.4220 -3.8644 -3.8644 -3.8622 -3.8622 -0.3481 -0.3481 -0.3411 -0.3411 0.3168 0.3168 0.3293 0.3293 3.5842 3.5842 3.5931 3.5931 4.0504 4.0504 4.0622 4.0622 4.4249 4.4249 4.4708 4.4708 4.6845 4.6845 4.7267 4.7267 5.0803 5.0803 5.1191 5.1191 5.3778 5.3778 5.4402 5.4402 5.6026 5.6026 5.6432 5.6432 5.7273 5.7273 5.7707 5.7707 6.1256 6.1256 6.1816 6.1816 6.3437 6.3437 6.4176 6.4176 6.4873 6.4873 6.5385 6.5385 6.6460 6.6460 6.6958 6.6958 7.1326 7.1326 7.1946 7.1946 7.3467 7.3467 7.3930 7.3930 7.7191 7.7191 7.7659 7.7659 8.0336 8.0336 8.0936 8.0936 9.4699 9.4699 9.4879 9.4879 10.3771 10.3771 10.4441 10.4442 10.9856 10.9856 11.0945 11.0945 11.6247 11.6247 11.6973 11.6973 12.0621 12.0621 12.2296 12.2296 k = 0.2000 0.5000-0.0000 ( 6482 PWs) bands (ev): -4.4122 -4.4122 -4.4118 -4.4118 -3.8707 -3.8707 -3.8685 -3.8685 -0.3640 -0.3640 -0.3575 -0.3575 0.3135 0.3135 0.3256 0.3256 3.5772 3.5772 3.5857 3.5857 4.0544 4.0544 4.0668 4.0668 4.4248 4.4248 4.4751 4.4751 4.6633 4.6633 4.7008 4.7008 5.1172 5.1172 5.1607 5.1607 5.3775 5.3775 5.4467 5.4467 5.6113 5.6113 5.6517 5.6517 5.7243 5.7243 5.7689 5.7689 6.1154 6.1154 6.1781 6.1781 6.3442 6.3442 6.4180 6.4180 6.4928 6.4928 6.5579 6.5579 6.6534 6.6534 6.7044 6.7044 7.1247 7.1247 7.1835 7.1835 7.3604 7.3604 7.4063 7.4063 7.7052 7.7052 7.7506 7.7506 8.0759 8.0759 8.1378 8.1378 9.4857 9.4857 9.5043 9.5043 10.3690 10.3690 10.4370 10.4370 10.9752 10.9752 11.0830 11.0830 11.5701 11.5701 11.6484 11.6484 12.0458 12.0458 12.2113 12.2113 k = 0.2200 0.5000-0.0000 ( 6472 PWs) bands (ev): -4.4013 -4.4013 -4.4009 -4.4008 -3.8776 -3.8776 -3.8755 -3.8755 -0.3803 -0.3803 -0.3742 -0.3742 0.3099 0.3099 0.3215 0.3215 3.5723 3.5723 3.5805 3.5805 4.0573 4.0573 4.0703 4.0703 4.4202 4.4202 4.4741 4.4741 4.6422 4.6422 4.6757 4.6757 5.1527 5.1527 5.2012 5.2012 5.3856 5.3856 5.4590 5.4590 5.6201 5.6201 5.6587 5.6587 5.7248 5.7248 5.7705 5.7705 6.1065 6.1065 6.1747 6.1747 6.3430 6.3430 6.4170 6.4170 6.4985 6.4985 6.5770 6.5770 6.6619 6.6619 6.7142 6.7142 7.1133 7.1133 7.1704 7.1704 7.3678 7.3678 7.4147 7.4147 7.6951 7.6951 7.7374 7.7374 8.1239 8.1239 8.1860 8.1860 9.5044 9.5044 9.5232 9.5232 10.3583 10.3583 10.4269 10.4269 10.9604 10.9604 11.0651 11.0651 11.5099 11.5099 11.5899 11.5899 12.0345 12.0345 12.1856 12.1856 k = 0.2400 0.5000-0.0000 ( 6456 PWs) bands (ev): -4.3897 -4.3897 -4.3892 -4.3892 -3.8852 -3.8852 -3.8831 -3.8831 -0.3968 -0.3968 -0.3910 -0.3910 0.3060 0.3060 0.3171 0.3171 3.5697 3.5697 3.5777 3.5777 4.0586 4.0586 4.0726 4.0726 4.4113 4.4113 4.4670 4.4670 4.6220 4.6220 4.6525 4.6525 5.1852 5.1852 5.2371 5.2371 5.4041 5.4041 5.4780 5.4780 5.6278 5.6278 5.6637 5.6637 5.7298 5.7298 5.7768 5.7768 6.0988 6.0988 6.1714 6.1714 6.3404 6.3404 6.4141 6.4141 6.5053 6.5053 6.5945 6.5945 6.6716 6.6716 6.7252 6.7252 7.0988 7.0988 7.1556 7.1556 7.3675 7.3675 7.4155 7.4155 7.6924 7.6924 7.7297 7.7297 8.1751 8.1751 8.2363 8.2363 9.5258 9.5258 9.5447 9.5447 10.3448 10.3448 10.4138 10.4138 10.9398 10.9398 11.0398 11.0398 11.4471 11.4471 11.5264 11.5264 12.0298 12.0298 12.1648 12.1648 k = 0.2600 0.5000-0.0000 ( 6456 PWs) bands (ev): -4.3776 -4.3776 -4.3771 -4.3771 -3.8932 -3.8932 -3.8913 -3.8913 -0.4130 -0.4130 -0.4077 -0.4077 0.3020 0.3020 0.3125 0.3125 3.5698 3.5698 3.5776 3.5776 4.0576 4.0576 4.0728 4.0729 4.3991 4.3991 4.4540 4.4540 4.6035 4.6035 4.6317 4.6317 5.2137 5.2137 5.2659 5.2659 5.4335 5.4335 5.5038 5.5038 5.6327 5.6327 5.6684 5.6684 5.7392 5.7392 5.7886 5.7886 6.0921 6.0922 6.1680 6.1680 6.3368 6.3368 6.4091 6.4091 6.5134 6.5134 6.6095 6.6095 6.6827 6.6827 6.7367 6.7367 7.0815 7.0816 7.1392 7.1392 7.3587 7.3587 7.4075 7.4075 7.6990 7.6990 7.7304 7.7304 8.2273 8.2273 8.2868 8.2868 9.5496 9.5496 9.5686 9.5686 10.3285 10.3285 10.3979 10.3979 10.9124 10.9124 11.0065 11.0065 11.3848 11.3848 11.4626 11.4626 12.0319 12.0319 12.1507 12.1507 k = 0.2800 0.5000-0.0000 ( 6456 PWs) bands (ev): -4.3650 -4.3650 -4.3645 -4.3645 -3.9017 -3.9017 -3.8999 -3.8999 -0.4289 -0.4289 -0.4240 -0.4240 0.2979 0.2979 0.3077 0.3077 3.5725 3.5725 3.5803 3.5803 4.0536 4.0536 4.0705 4.0705 4.3851 4.3851 4.4366 4.4366 4.5868 4.5868 4.6131 4.6131 5.2378 5.2378 5.2878 5.2878 5.4700 5.4700 5.5360 5.5360 5.6340 5.6340 5.6761 5.6761 5.7526 5.7526 5.8058 5.8058 6.0865 6.0865 6.1646 6.1646 6.3323 6.3323 6.4021 6.4021 6.5226 6.5226 6.6213 6.6213 6.6953 6.6953 6.7485 6.7485 7.0621 7.0621 7.1217 7.1217 7.3416 7.3416 7.3909 7.3909 7.7152 7.7152 7.7409 7.7409 8.2782 8.2782 8.3354 8.3354 9.5755 9.5755 9.5950 9.5950 10.3097 10.3097 10.3794 10.3794 10.8777 10.8777 10.9647 10.9647 11.3261 11.3261 11.4023 11.4024 12.0402 12.0402 12.1431 12.1431 k = 0.3000 0.5000-0.0000 ( 6458 PWs) bands (ev): -4.3522 -4.3521 -4.3516 -4.3516 -3.9106 -3.9106 -3.9089 -3.9089 -0.4441 -0.4441 -0.4397 -0.4396 0.2937 0.2937 0.3029 0.3029 3.5779 3.5779 3.5859 3.5859 4.0457 4.0457 4.0646 4.0646 4.3714 4.3714 4.4170 4.4170 4.5718 4.5718 4.5959 4.5959 5.2580 5.2580 5.3051 5.3051 5.5059 5.5060 5.5731 5.5731 5.6335 5.6335 5.6893 5.6893 5.7698 5.7698 5.8275 5.8275 6.0819 6.0819 6.1610 6.1610 6.3272 6.3272 6.3935 6.3935 6.5325 6.5325 6.6301 6.6301 6.7088 6.7088 6.7600 6.7600 7.0413 7.0413 7.1034 7.1034 7.3177 7.3177 7.3676 7.3676 7.7397 7.7397 7.7612 7.7612 8.3255 8.3255 8.3803 8.3803 9.6030 9.6030 9.6242 9.6242 10.2888 10.2888 10.3588 10.3588 10.8361 10.8361 10.9152 10.9152 11.2730 11.2730 11.3475 11.3475 12.0539 12.0539 12.1418 12.1418 k = 0.3200 0.5000-0.0000 ( 6462 PWs) bands (ev): -4.3392 -4.3392 -4.3387 -4.3387 -3.9198 -3.9198 -3.9181 -3.9181 -0.4584 -0.4584 -0.4545 -0.4545 0.2896 0.2896 0.2980 0.2980 3.5860 3.5860 3.5945 3.5945 4.0332 4.0332 4.0543 4.0543 4.3597 4.3597 4.3982 4.3982 4.5576 4.5576 4.5796 4.5796 5.2753 5.2753 5.3196 5.3196 5.5342 5.5342 5.6057 5.6057 5.6414 5.6414 5.7102 5.7102 5.7901 5.7901 5.8526 5.8526 6.0782 6.0782 6.1574 6.1574 6.3213 6.3213 6.3834 6.3834 6.5428 6.5428 6.6363 6.6363 6.7221 6.7221 6.7707 6.7707 7.0196 7.0197 7.0849 7.0849 7.2894 7.2894 7.3400 7.3400 7.7711 7.7711 7.7901 7.7901 8.3670 8.3670 8.4195 8.4195 9.6322 9.6322 9.6561 9.6561 10.2663 10.2664 10.3365 10.3365 10.7889 10.7889 10.8596 10.8596 11.2262 11.2262 11.2984 11.2984 12.0721 12.0721 12.1465 12.1465 k = 0.3400 0.5000-0.0000 ( 6454 PWs) bands (ev): -4.3263 -4.3263 -4.3258 -4.3258 -3.9291 -3.9291 -3.9275 -3.9275 -0.4717 -0.4717 -0.4682 -0.4682 0.2857 0.2857 0.2933 0.2933 3.5969 3.5969 3.6060 3.6060 4.0158 4.0158 4.0389 4.0389 4.3515 4.3515 4.3824 4.3824 4.5438 4.5438 4.5636 4.5636 5.2904 5.2904 5.3322 5.3322 5.5519 5.5519 5.6116 5.6116 5.6779 5.6779 5.7397 5.7397 5.8133 5.8133 5.8798 5.8798 6.0759 6.0759 6.1538 6.1538 6.3147 6.3147 6.3720 6.3720 6.5533 6.5533 6.6406 6.6406 6.7343 6.7343 6.7801 6.7801 6.9983 6.9983 7.0668 7.0668 7.2589 7.2589 7.3100 7.3100 7.8082 7.8082 7.8258 7.8258 8.4008 8.4008 8.4512 8.4512 9.6631 9.6631 9.6906 9.6906 10.2433 10.2433 10.3131 10.3131 10.7383 10.7383 10.8005 10.8005 11.1856 11.1856 11.2546 11.2546 12.0939 12.0939 12.1571 12.1571 k = 0.3600 0.5000-0.0000 ( 6452 PWs) bands (ev): -4.3138 -4.3138 -4.3133 -4.3132 -3.9383 -3.9383 -3.9369 -3.9369 -0.4839 -0.4839 -0.4808 -0.4808 0.2820 0.2820 0.2887 0.2887 3.6106 3.6106 3.6205 3.6205 3.9935 3.9935 4.0183 4.0183 4.3472 4.3472 4.3710 4.3710 4.5300 4.5300 4.5478 4.5478 5.3041 5.3041 5.3432 5.3432 5.5611 5.5611 5.6075 5.6075 5.7229 5.7229 5.7761 5.7761 5.8388 5.8388 5.9074 5.9074 6.0753 6.0753 6.1505 6.1505 6.3069 6.3069 6.3592 6.3592 6.5640 6.5640 6.6434 6.6434 6.7443 6.7443 6.7873 6.7873 6.9785 6.9785 7.0498 7.0498 7.2279 7.2280 7.2794 7.2794 7.8500 7.8500 7.8669 7.8669 8.4251 8.4251 8.4738 8.4738 9.6962 9.6962 9.7277 9.7277 10.2204 10.2204 10.2888 10.2889 10.6863 10.6863 10.7406 10.7406 11.1506 11.1506 11.2151 11.2151 12.1179 12.1179 12.1733 12.1733 k = 0.3800 0.5000-0.0000 ( 6448 PWs) bands (ev): -4.3018 -4.3018 -4.3013 -4.3013 -3.9473 -3.9473 -3.9460 -3.9460 -0.4946 -0.4946 -0.4920 -0.4920 0.2787 0.2787 0.2845 0.2845 3.6270 3.6270 3.6379 3.6379 3.9672 3.9672 3.9929 3.9929 4.3467 4.3467 4.3643 4.3643 4.5164 4.5164 4.5321 4.5321 5.3166 5.3166 5.3526 5.3526 5.5650 5.5650 5.6019 5.6019 5.7656 5.7656 5.8154 5.8154 5.8666 5.8666 5.9333 5.9333 6.0771 6.0771 6.1482 6.1482 6.2975 6.2975 6.3450 6.3450 6.5751 6.5751 6.6453 6.6453 6.7514 6.7514 6.7913 6.7913 6.9618 6.9618 7.0345 7.0345 7.1983 7.1983 7.2494 7.2494 7.8955 7.8955 7.9121 7.9121 8.4390 8.4390 8.4858 8.4858 9.7319 9.7319 9.7670 9.7670 10.1981 10.1981 10.2639 10.2639 10.6353 10.6353 10.6823 10.6823 11.1206 11.1206 11.1794 11.1794 12.1432 12.1432 12.1944 12.1944 k = 0.4000 0.5000-0.0000 ( 6440 PWs) bands (ev): -4.2908 -4.2908 -4.2903 -4.2903 -3.9557 -3.9557 -3.9546 -3.9546 -0.5039 -0.5039 -0.5018 -0.5018 0.2758 0.2758 0.2807 0.2807 3.6460 3.6460 3.6581 3.6581 3.9379 3.9379 3.9638 3.9638 4.3496 4.3496 4.3620 4.3620 4.5029 4.5029 4.5167 4.5167 5.3282 5.3282 5.3603 5.3603 5.5661 5.5661 5.5959 5.5959 5.8042 5.8042 5.8526 5.8526 5.8968 5.8968 5.9551 5.9551 6.0829 6.0829 6.1480 6.1480 6.2859 6.2860 6.3293 6.3293 6.5867 6.5867 6.6466 6.6466 6.7550 6.7550 6.7908 6.7908 6.9500 6.9500 7.0212 7.0212 7.1713 7.1713 7.2209 7.2209 7.9434 7.9434 7.9601 7.9601 8.4423 8.4423 8.4868 8.4868 9.7705 9.7705 9.8082 9.8082 10.1766 10.1766 10.2380 10.2380 10.5873 10.5873 10.6278 10.6278 11.0955 11.0955 11.1472 11.1472 12.1689 12.1689 12.2184 12.2184 k = 0.4200 0.5000-0.0000 ( 6454 PWs) bands (ev): -4.2810 -4.2810 -4.2806 -4.2806 -3.9632 -3.9632 -3.9623 -3.9623 -0.5116 -0.5116 -0.5099 -0.5099 0.2734 0.2734 0.2773 0.2773 3.6675 3.6675 3.6809 3.6809 3.9066 3.9066 3.9319 3.9319 4.3548 4.3548 4.3631 4.3632 4.4900 4.4900 4.5017 4.5017 5.3387 5.3387 5.3661 5.3661 5.5661 5.5661 5.5899 5.5899 5.8383 5.8384 5.8840 5.8840 5.9272 5.9273 5.9706 5.9706 6.0934 6.0934 6.1518 6.1518 6.2717 6.2717 6.3118 6.3118 6.5988 6.5988 6.6478 6.6478 6.7550 6.7550 6.7854 6.7854 6.9444 6.9444 7.0100 7.0100 7.1486 7.1486 7.1946 7.1946 7.9922 7.9922 8.0091 8.0091 8.4360 8.4360 8.4772 8.4772 9.8118 9.8118 9.8504 9.8504 10.1553 10.1553 10.2106 10.2106 10.5447 10.5447 10.5788 10.5788 11.0755 11.0755 11.1187 11.1187 12.1946 12.1946 12.2425 12.2425 k = 0.4400 0.5000-0.0000 ( 6458 PWs) bands (ev): -4.2728 -4.2728 -4.2724 -4.2724 -3.9696 -3.9696 -3.9689 -3.9689 -0.5177 -0.5177 -0.5164 -0.5164 0.2715 0.2715 0.2745 0.2746 3.6912 3.6913 3.7060 3.7060 3.8744 3.8744 3.8986 3.8986 4.3614 4.3614 4.3667 4.3667 4.4783 4.4783 4.4878 4.4878 5.3481 5.3481 5.3698 5.3698 5.5660 5.5660 5.5842 5.5842 5.8681 5.8681 5.9087 5.9087 5.9524 5.9524 5.9801 5.9801 6.1088 6.1088 6.1617 6.1618 6.2543 6.2543 6.2928 6.2928 6.6114 6.6114 6.6488 6.6488 6.7523 6.7523 6.7760 6.7760 6.9449 6.9449 7.0001 7.0001 7.1316 7.1316 7.1712 7.1712 8.0399 8.0399 8.0565 8.0565 8.4223 8.4223 8.4586 8.4586 9.8549 9.8549 9.8922 9.8922 10.1336 10.1336 10.1810 10.1810 10.5099 10.5099 10.5372 10.5372 11.0607 11.0607 11.0943 11.0943 12.2194 12.2194 12.2630 12.2631 k = 0.4600 0.5000-0.0000 ( 6466 PWs) bands (ev): -4.2665 -4.2665 -4.2663 -4.2663 -3.9744 -3.9744 -3.9739 -3.9739 -0.5220 -0.5220 -0.5211 -0.5211 0.2704 0.2704 0.2724 0.2724 3.7171 3.7171 3.7331 3.7332 3.8424 3.8424 3.8649 3.8649 4.3681 4.3681 4.3712 4.3712 4.4687 4.4687 4.4756 4.4756 5.3562 5.3562 5.3713 5.3714 5.5666 5.5666 5.5789 5.5789 5.8932 5.8932 5.9260 5.9260 5.9671 5.9671 5.9860 5.9860 6.1288 6.1288 6.1778 6.1778 6.2340 6.2340 6.2721 6.2721 6.6237 6.6238 6.6492 6.6492 6.7486 6.7486 6.7648 6.7648 6.9503 6.9503 6.9904 6.9904 7.1216 7.1216 7.1511 7.1511 8.0832 8.0832 8.0980 8.0980 8.4058 8.4058 8.4344 8.4344 9.8979 9.8979 9.9306 9.9307 10.1118 10.1118 10.1495 10.1495 10.4852 10.4852 10.5046 10.5046 11.0516 11.0516 11.0746 11.0746 12.2424 12.2424 12.2766 12.2766 k = 0.4800 0.5000-0.0000 ( 6468 PWs) bands (ev): -4.2626 -4.2626 -4.2625 -4.2625 -3.9774 -3.9774 -3.9772 -3.9772 -0.5245 -0.5245 -0.5240 -0.5240 0.2698 0.2698 0.2708 0.2708 3.7443 3.7443 3.7606 3.7606 3.8125 3.8125 3.8321 3.8321 4.3734 4.3735 4.3749 4.3749 4.4627 4.4627 4.4665 4.4665 5.3628 5.3628 5.3706 5.3706 5.5681 5.5681 5.5744 5.5744 5.9133 5.9133 5.9325 5.9325 5.9756 5.9756 5.9875 5.9875 6.1530 6.1530 6.1933 6.1933 6.2159 6.2159 6.2500 6.2500 6.6348 6.6348 6.6478 6.6478 6.7464 6.7464 6.7547 6.7547 6.9589 6.9589 6.9801 6.9801 7.1193 7.1193 7.1352 7.1352 8.1170 8.1170 8.1265 8.1265 8.3937 8.3937 8.4103 8.4103 9.9363 9.9363 9.9583 9.9583 10.0950 10.0950 10.1186 10.1186 10.4721 10.4721 10.4822 10.4822 11.0484 11.0484 11.0601 11.0601 12.2617 12.2617 12.2807 12.2807 k = 0.5000 0.5000-0.0000 ( 6496 PWs) bands (ev): -4.2613 -4.2613 -4.2613 -4.2613 -3.9784 -3.9784 -3.9783 -3.9783 -0.5252 -0.5252 -0.5252 -0.5252 0.2700 0.2700 0.2700 0.2700 3.7691 3.7691 3.7691 3.7691 3.8043 3.8043 3.8043 3.8043 4.3759 4.3759 4.3759 4.3759 4.4618 4.4618 4.4618 4.4618 5.3677 5.3677 5.3677 5.3677 5.5707 5.5707 5.5707 5.5707 5.9272 5.9272 5.9272 5.9272 5.9831 5.9831 5.9831 5.9831 6.1784 6.1784 6.1785 6.1785 6.2277 6.2277 6.2277 6.2277 6.6432 6.6432 6.6432 6.6432 6.7481 6.7481 6.7481 6.7481 6.9693 6.9693 6.9693 6.9693 7.1242 7.1242 7.1242 7.1242 8.1335 8.1335 8.1335 8.1335 8.3945 8.3945 8.3945 8.3945 9.9611 9.9611 9.9611 9.9611 10.0962 10.0962 10.0962 10.0962 10.4711 10.4711 10.4711 10.4711 11.0512 11.0512 11.0512 11.0512 12.2752 12.2752 12.2752 12.2752 k = 0.5000 0.5000-0.0000 ( 6496 PWs) bands (ev): -4.2613 -4.2613 -4.2613 -4.2613 -3.9784 -3.9784 -3.9783 -3.9783 -0.5252 -0.5252 -0.5252 -0.5252 0.2700 0.2700 0.2700 0.2700 3.7691 3.7691 3.7691 3.7691 3.8043 3.8043 3.8043 3.8043 4.3759 4.3759 4.3759 4.3759 4.4618 4.4618 4.4618 4.4618 5.3677 5.3677 5.3677 5.3677 5.5707 5.5707 5.5707 5.5707 5.9272 5.9272 5.9272 5.9272 5.9831 5.9831 5.9831 5.9831 6.1784 6.1784 6.1785 6.1785 6.2277 6.2277 6.2277 6.2277 6.6432 6.6432 6.6432 6.6432 6.7481 6.7481 6.7481 6.7481 6.9693 6.9693 6.9693 6.9693 7.1242 7.1242 7.1242 7.1242 8.1335 8.1335 8.1335 8.1335 8.3945 8.3945 8.3945 8.3945 9.9611 9.9611 9.9611 9.9611 10.0962 10.0962 10.0962 10.0962 10.4711 10.4711 10.4711 10.4711 11.0512 11.0512 11.0512 11.0512 12.2752 12.2752 12.2752 12.2752 k = 0.4861 0.4861-0.0000 ( 6468 PWs) bands (ev): -4.2643 -4.2642 -4.2608 -4.2608 -3.9783 -3.9782 -3.9765 -3.9764 -0.5251 -0.5248 -0.5236 -0.5233 0.2695 0.2699 0.2704 0.2708 3.7496 3.7562 3.7667 3.7699 3.8039 3.8075 3.8206 3.8268 4.3706 4.3730 4.3758 4.3776 4.4615 4.4627 4.4634 4.4675 5.3625 5.3650 5.3681 5.3718 5.5667 5.5700 5.5708 5.5747 5.9049 5.9134 5.9256 5.9282 5.9728 5.9794 5.9872 6.0032 6.1513 6.1713 6.1837 6.2017 6.2155 6.2193 6.2430 6.2472 6.6292 6.6379 6.6470 6.6495 6.7424 6.7455 6.7531 6.7578 6.9572 6.9667 6.9728 6.9833 7.1208 7.1220 7.1313 7.1338 8.1124 8.1171 8.1317 8.1362 8.3872 8.3920 8.4090 8.4200 9.9362 9.9407 9.9464 9.9681 10.0881 10.0958 10.1037 10.1139 10.4663 10.4765 10.4842 10.4901 11.0438 11.0551 11.0558 11.0611 12.2602 12.2685 12.2798 12.2849 k = 0.4722 0.4722-0.0000 ( 6460 PWs) bands (ev): -4.2729 -4.2727 -4.2596 -4.2595 -3.9778 -3.9777 -3.9711 -3.9710 -0.5244 -0.5239 -0.5188 -0.5181 0.2688 0.2697 0.2717 0.2725 3.7284 3.7402 3.7498 3.7587 3.8195 3.8283 3.8442 3.8546 4.3592 4.3628 4.3770 4.3804 4.4630 4.4651 4.4700 4.4775 5.3561 5.3604 5.3660 5.3748 5.5602 5.5681 5.5712 5.5801 5.8720 5.8812 5.9121 5.9183 5.9548 5.9821 5.9923 6.0217 6.1295 6.1651 6.1835 6.2011 6.2211 6.2276 6.2597 6.2714 6.6100 6.6311 6.6454 6.6532 6.7371 6.7421 6.7624 6.7713 6.9485 6.9652 6.9775 6.9987 7.1243 7.1250 7.1428 7.1487 8.0701 8.0764 8.1265 8.1355 8.3735 8.3838 8.4505 8.4698 9.8944 9.8985 9.9101 9.9545 10.0764 10.1018 10.1159 10.1393 10.4675 10.4887 10.5217 10.5309 11.0358 11.0594 11.0707 11.0812 12.2401 12.2597 12.2821 12.2895 k = 0.4583 0.4583-0.0000 ( 6464 PWs) bands (ev): -4.2864 -4.2863 -4.2574 -4.2572 -3.9772 -3.9770 -3.9629 -3.9627 -0.5232 -0.5224 -0.5107 -0.5097 0.2679 0.2691 0.2739 0.2751 3.7087 3.7224 3.7359 3.7468 3.8391 3.8504 3.8728 3.8848 4.3444 4.3482 4.3794 4.3846 4.4655 4.4687 4.4797 4.4896 5.3485 5.3540 5.3614 5.3765 5.5499 5.5616 5.5742 5.5870 5.8333 5.8412 5.8927 5.9035 5.9272 5.9628 6.0071 6.0358 6.1184 6.1613 6.1800 6.1969 6.2310 6.2436 6.2751 6.2968 6.5890 6.6206 6.6426 6.6556 6.7301 6.7365 6.7731 6.7850 6.9453 6.9652 6.9834 7.0157 7.1328 7.1347 7.1576 7.1678 8.0194 8.0252 8.1191 8.1327 8.3527 8.3682 8.5047 8.5299 9.8352 9.8447 9.8755 9.9298 10.0552 10.0890 10.1440 10.1663 10.4759 10.5064 10.5778 10.5874 11.0273 11.0603 11.0960 11.1120 12.2158 12.2489 12.2825 12.2908 k = 0.4444 0.4444-0.0000 ( 6450 PWs) bands (ev): -4.3040 -4.3038 -4.2544 -4.2542 -3.9762 -3.9759 -3.9527 -3.9524 -0.5215 -0.5204 -0.4995 -0.4980 0.2667 0.2683 0.2769 0.2786 3.6910 3.7050 3.7255 3.7365 3.8602 3.8724 3.9048 3.9168 4.3282 4.3314 4.3832 4.3900 4.4693 4.4736 4.4907 4.5022 5.3397 5.3461 5.3544 5.3768 5.5349 5.5502 5.5787 5.5946 5.7928 5.7999 5.8683 5.8836 5.8924 5.9309 6.0205 6.0473 6.1165 6.1602 6.1775 6.1962 6.2432 6.2576 6.2884 6.3205 6.5680 6.6068 6.6415 6.6558 6.7211 6.7289 6.7810 6.7953 6.9482 6.9686 6.9905 7.0352 7.1454 7.1507 7.1749 7.1901 7.9672 7.9721 8.1095 8.1276 8.3252 8.3456 8.5620 8.5919 9.7720 9.7858 9.8429 9.9010 10.0243 10.0655 10.1727 10.1923 10.4940 10.5311 10.6431 10.6535 11.0186 11.0577 11.1297 11.1517 12.1886 12.2354 12.2815 12.2908 k = 0.4306 0.4306-0.0000 ( 6446 PWs) bands (ev): -4.3248 -4.3246 -4.2505 -4.2503 -3.9750 -3.9746 -3.9412 -3.9409 -0.5191 -0.5177 -0.4851 -0.4833 0.2651 0.2671 0.2808 0.2828 3.6756 3.6894 3.7178 3.7282 3.8817 3.8942 3.9391 3.9501 4.3116 4.3141 4.3883 4.3966 4.4740 4.4795 4.5019 4.5147 5.3295 5.3362 5.3452 5.3756 5.5138 5.5323 5.5836 5.6021 5.7541 5.7607 5.8364 5.8486 5.8657 5.8939 6.0321 6.0572 6.1193 6.1601 6.1777 6.1978 6.2551 6.2696 6.2995 6.3409 6.5482 6.5916 6.6412 6.6540 6.7098 6.7197 6.7837 6.8006 6.9535 6.9795 6.9989 7.0575 7.1617 7.1716 7.1936 7.2150 7.9164 7.9211 8.0974 8.1197 8.2917 8.3165 8.6166 8.6508 9.7101 9.7285 9.8127 9.8715 9.9858 10.0339 10.1980 10.2163 10.5235 10.5639 10.7103 10.7244 11.0106 11.0518 11.1699 11.1982 12.1594 12.2186 12.2801 12.2917 k = 0.4167 0.4167-0.0000 ( 6442 PWs) bands (ev): -4.3481 -4.3479 -4.2458 -4.2455 -3.9735 -3.9731 -3.9292 -3.9289 -0.5160 -0.5144 -0.4677 -0.4656 0.2632 0.2656 0.2854 0.2878 3.6626 3.6762 3.7127 3.7222 3.9028 3.9155 3.9751 3.9846 4.2957 4.2972 4.3945 4.4043 4.4798 4.4866 4.5130 4.5270 5.3175 5.3232 5.3345 5.3728 5.4861 5.5075 5.5873 5.6083 5.7182 5.7265 5.7962 5.8095 5.8418 5.8584 6.0417 6.0657 6.1248 6.1599 6.1811 6.2007 6.2654 6.2798 6.3089 6.3578 6.5300 6.5761 6.6390 6.6518 6.6965 6.7096 6.7811 6.8012 6.9578 6.9982 7.0087 7.0818 7.1808 7.1965 7.2128 7.2418 7.8686 7.8740 8.0822 8.1080 8.2535 8.2818 8.6643 8.7023 9.6527 9.6766 9.7862 9.8432 9.9422 9.9963 10.2201 10.2388 10.5639 10.6043 10.7742 10.7945 11.0052 11.0437 11.2152 11.2498 12.1291 12.1982 12.2786 12.2942 k = 0.4028 0.4028-0.0000 ( 6462 PWs) bands (ev): -4.3732 -4.3730 -4.2403 -4.2400 -3.9717 -3.9713 -3.9171 -3.9168 -0.5122 -0.5104 -0.4475 -0.4450 0.2609 0.2637 0.2906 0.2934 3.6520 3.6654 3.7100 3.7186 3.9227 3.9356 4.0124 4.0198 4.2814 4.2818 4.4018 4.4129 4.4863 4.4945 4.5239 4.5391 5.3019 5.3059 5.3224 5.3679 5.4532 5.4773 5.5873 5.6105 5.6826 5.6968 5.7604 5.7713 5.8159 5.8264 6.0491 6.0728 6.1323 6.1600 6.1863 6.2041 6.2733 6.2886 6.3170 6.3713 6.5137 6.5607 6.6323 6.6510 6.6818 6.6990 6.7744 6.7978 6.9617 7.0157 7.0240 7.1061 7.2015 7.2242 7.2328 7.2704 7.8250 7.8317 8.0631 8.0908 8.2124 8.2424 8.7016 8.7425 9.6016 9.6326 9.7653 9.8176 9.8961 9.9544 10.2414 10.2615 10.6118 10.6504 10.8292 10.8554 11.0082 11.0384 11.2642 11.3048 12.0985 12.1749 12.2772 12.2978 k = 0.3889 0.3889-0.0000 ( 6456 PWs) bands (ev): -4.3997 -4.3995 -4.2340 -4.2336 -3.9698 -3.9693 -3.9054 -3.9050 -0.5076 -0.5055 -0.4247 -0.4218 0.2583 0.2614 0.2963 0.2994 3.6439 3.6573 3.7097 3.7174 3.9405 3.9538 4.0505 4.0557 4.2689 4.2698 4.4100 4.4223 4.4934 4.5033 4.5349 4.5515 5.2781 5.2845 5.3091 5.3609 5.4198 5.4457 5.5768 5.6032 5.6406 5.6769 5.7365 5.7427 5.7880 5.7974 6.0547 6.0788 6.1413 6.1609 6.1923 6.2076 6.2787 6.2963 6.3242 6.3818 6.4996 6.5458 6.6222 6.6500 6.6670 6.6887 6.7652 6.7916 6.9658 7.0266 7.0454 7.1278 7.2224 7.2464 7.2613 7.3004 7.7866 7.7947 8.0388 8.0652 8.1716 8.2001 8.7256 8.7684 9.5568 9.5960 9.7518 9.7943 9.8535 9.9101 10.2648 10.2869 10.6601 10.7002 10.8675 10.8928 11.0294 11.0482 11.3164 11.3622 12.0684 12.1500 12.2754 12.3009 k = 0.3750 0.3750-0.0000 ( 6468 PWs) bands (ev): -4.4272 -4.4270 -4.2270 -4.2266 -3.9676 -3.9671 -3.8942 -3.8938 -0.5021 -0.4998 -0.3994 -0.3962 0.2552 0.2587 0.3023 0.3058 3.6382 3.6517 3.7118 3.7187 3.9554 3.9693 4.0883 4.0921 4.2596 4.2617 4.4190 4.4323 4.5008 4.5126 4.5462 4.5643 5.2442 5.2561 5.2941 5.3516 5.3916 5.4177 5.5457 5.5700 5.6138 5.6684 5.7139 5.7365 5.7589 5.7712 6.0590 6.0835 6.1512 6.1627 6.1985 6.2106 6.2822 6.3030 6.3306 6.3898 6.4874 6.5313 6.6099 6.6444 6.6549 6.6799 6.7545 6.7831 6.9698 7.0359 7.0641 7.1450 7.2425 7.2633 7.2971 7.3319 7.7538 7.7632 8.0079 8.0282 8.1343 8.1570 8.7352 8.7788 9.5168 9.5640 9.7430 9.7656 9.8307 9.8668 10.2929 10.3172 10.6979 10.7515 10.8824 10.9060 11.0649 11.0889 11.3711 11.4209 12.0399 12.1249 12.2727 12.3015 k = 0.3611 0.3611-0.0000 ( 6458 PWs) bands (ev): -4.4553 -4.4551 -4.2192 -4.2187 -3.9653 -3.9647 -3.8837 -3.8834 -0.4957 -0.4931 -0.3719 -0.3683 0.2517 0.2556 0.3086 0.3123 3.6349 3.6488 3.7161 3.7224 3.9665 3.9811 4.1242 4.1296 4.2547 4.2580 4.4284 4.4427 4.5083 4.5223 4.5582 4.5782 5.2020 5.2188 5.2773 5.3397 5.3712 5.3958 5.4959 5.5179 5.6064 5.6599 5.7013 5.7299 5.7369 5.7521 6.0623 6.0873 6.1615 6.1653 6.2047 6.2131 6.2842 6.3088 6.3366 6.3957 6.4771 6.5174 6.5967 6.6314 6.6471 6.6744 6.7429 6.7733 6.9730 7.0435 7.0777 7.1562 7.2612 7.2784 7.3348 7.3641 7.7269 7.7372 7.9692 7.9803 8.1003 8.1159 8.7314 8.7744 9.4789 9.5323 9.7083 9.7485 9.8348 9.8374 10.3276 10.3543 10.7149 10.7956 10.8763 10.9241 11.1081 11.1471 11.4282 11.4804 12.0144 12.1011 12.2686 12.2987 k = 0.3472 0.3472-0.0000 ( 6454 PWs) bands (ev): -4.4839 -4.4837 -4.2107 -4.2102 -3.9628 -3.9622 -3.8742 -3.8738 -0.4883 -0.4854 -0.3425 -0.3384 0.2479 0.2522 0.3148 0.3188 3.6340 3.6484 3.7225 3.7285 3.9736 3.9886 4.1582 4.1671 4.2550 4.2593 4.4380 4.4530 4.5157 4.5320 4.5714 4.5935 5.1545 5.1753 5.2578 5.3250 5.3574 5.3791 5.4367 5.4671 5.6013 5.6435 5.6910 5.7039 5.7349 5.7516 6.0649 6.0903 6.1676 6.1724 6.2106 6.2149 6.2853 6.3138 6.3422 6.3996 6.4683 6.5041 6.5830 6.6166 6.6386 6.6720 6.7309 6.7626 6.9747 7.0485 7.0852 7.1607 7.2779 7.2922 7.3715 7.3960 7.7053 7.7166 7.9225 7.9257 8.0664 8.0795 8.7167 8.7581 9.4408 9.4979 9.6562 9.7217 9.8355 9.8646 10.3702 10.3986 10.7105 10.8018 10.8900 10.9514 11.1541 11.2083 11.4877 11.5399 11.9939 12.0804 12.2634 12.2931 k = 0.3333 0.3333-0.0000 ( 6460 PWs) bands (ev): -4.5126 -4.5124 -4.2016 -4.2011 -3.9602 -3.9595 -3.8656 -3.8652 -0.4798 -0.4767 -0.3113 -0.3068 0.2437 0.2484 0.3208 0.3251 3.6355 3.6505 3.7307 3.7369 3.9766 3.9918 4.1899 4.2032 4.2605 4.2655 4.4472 4.4630 4.5227 4.5414 4.5863 4.6103 5.1054 5.1301 5.2346 5.3067 5.3460 5.3581 5.3832 5.4218 5.5943 5.6219 5.6681 5.6903 5.7397 5.7606 6.0671 6.0926 6.1706 6.1823 6.2162 6.2165 6.2856 6.3180 6.3477 6.4019 6.4606 6.4919 6.5694 6.6017 6.6296 6.6714 6.7187 6.7514 6.9743 7.0498 7.0867 7.1586 7.2920 7.3047 7.4037 7.4259 7.6871 7.7011 7.8657 7.8730 8.0325 8.0478 8.6943 8.7334 9.4016 9.4601 9.6015 9.6773 9.8638 9.9042 10.4208 10.4500 10.6926 10.7744 10.9239 10.9811 11.1988 11.2683 11.5495 11.5988 11.9801 12.0642 12.2577 12.2875 k = 0.3194 0.3194-0.0000 ( 6462 PWs) bands (ev): -4.5413 -4.5411 -4.1919 -4.1913 -3.9575 -3.9567 -3.8581 -3.8577 -0.4702 -0.4668 -0.2787 -0.2738 0.2391 0.2443 0.3264 0.3309 3.6392 3.6547 3.7406 3.7473 3.9762 3.9912 4.2190 4.2370 4.2708 4.2763 4.4558 4.4723 4.5291 4.5503 4.6033 4.6286 5.0574 5.0867 5.2069 5.2836 5.3032 5.3293 5.3669 5.3910 5.5778 5.6059 5.6416 5.6828 5.7507 5.7719 6.0691 6.0944 6.1731 6.1914 6.2172 6.2222 6.2852 6.3219 6.3531 6.4024 6.4535 6.4810 6.5564 6.5872 6.6211 6.6715 6.7065 6.7401 6.9711 7.0466 7.0825 7.1507 7.3028 7.3156 7.4271 7.4515 7.6685 7.6898 7.8069 7.8231 8.0025 8.0196 8.6671 8.7035 9.3609 9.4192 9.5465 9.6272 9.9024 9.9484 10.4772 10.5063 10.6717 10.7433 10.9512 11.0074 11.2409 11.3256 11.6134 11.6560 11.9739 12.0539 12.2532 12.2850 k = 0.3056 0.3056-0.0000 ( 6474 PWs) bands (ev): -4.5698 -4.5696 -4.1816 -4.1810 -3.9547 -3.9539 -3.8515 -3.8512 -0.4594 -0.4558 -0.2450 -0.2395 0.2343 0.2400 0.3315 0.3362 3.6449 3.6610 3.7519 3.7594 3.9732 3.9877 4.2451 4.2678 4.2849 4.2907 4.4632 4.4803 4.5348 4.5582 4.6223 4.6482 5.0127 5.0478 5.1743 5.2398 5.2592 5.2978 5.3648 5.3795 5.5514 5.5987 5.6172 5.6779 5.7644 5.7842 6.0709 6.0959 6.1751 6.1992 6.2185 6.2278 6.2838 6.3253 6.3585 6.4012 6.4467 6.4716 6.5443 6.5735 6.6135 6.6719 6.6943 6.7289 6.9645 7.0378 7.0734 7.1381 7.3094 7.3245 7.4376 7.4686 7.6444 7.6781 7.7525 7.7830 7.9797 7.9966 8.6370 8.6707 9.3191 9.3760 9.4922 9.5757 9.9407 9.9886 10.5299 10.5651 10.6590 10.7269 10.9653 11.0259 11.2809 11.3796 11.6783 11.7107 11.9742 12.0499 12.2520 12.2897 k = 0.2917 0.2917-0.0000 ( 6490 PWs) bands (ev): -4.5980 -4.5978 -4.1708 -4.1701 -3.9519 -3.9510 -3.8460 -3.8457 -0.4474 -0.4435 -0.2105 -0.2045 0.2294 0.2356 0.3357 0.3407 3.6524 3.6690 3.7644 3.7728 3.9685 3.9823 4.2686 4.2946 4.3017 4.3076 4.4691 4.4866 4.5398 4.5653 4.6432 4.6683 4.9728 5.0155 5.1384 5.1809 5.2284 5.2604 5.3691 5.3787 5.5237 5.5904 5.5999 5.6748 5.7792 5.7968 6.0726 6.0971 6.1764 6.2049 6.2209 6.2332 6.2813 6.3286 6.3637 6.3984 6.4398 6.4640 6.5332 6.5608 6.6069 6.6726 6.6823 6.7179 6.9543 7.0230 7.0605 7.1217 7.3098 7.3294 7.4333 7.4719 7.6127 7.6506 7.7177 7.7596 7.9671 7.9824 8.6054 8.6367 9.2766 9.3314 9.4393 9.5241 9.9689 10.0152 10.5606 10.6157 10.6740 10.7493 10.9667 11.0345 11.3199 11.4301 11.7419 11.7627 11.9779 12.0515 12.2561 12.3054 k = 0.2778 0.2778-0.0000 ( 6492 PWs) bands (ev): -4.6256 -4.6254 -4.1594 -4.1588 -3.9490 -3.9481 -3.8416 -3.8412 -0.4341 -0.4300 -0.1757 -0.1690 0.2245 0.2314 0.3390 0.3441 3.6615 3.6783 3.7775 3.7869 3.9629 3.9756 4.2901 4.3172 4.3199 4.3261 4.4731 4.4902 4.5448 4.5717 4.6651 4.6883 4.9387 4.9908 5.1017 5.1254 5.1954 5.2210 5.3769 5.3844 5.4981 5.5751 5.5946 5.6732 5.7945 5.8094 6.0741 6.0981 6.1771 6.2081 6.2248 6.2384 6.2778 6.3316 6.3686 6.3944 6.4325 6.4579 6.5235 6.5493 6.6012 6.6702 6.6737 6.7072 6.9401 7.0023 7.0446 7.1026 7.3000 7.3263 7.4180 7.4584 7.5762 7.6009 7.7098 7.7526 7.9662 7.9798 8.5730 8.6021 9.2340 9.2861 9.3880 9.4733 9.9775 10.0193 10.5798 10.6358 10.7413 10.8110 10.9589 11.0336 11.3586 11.4767 11.7996 11.8140 11.9809 12.0574 12.2671 12.3345 k = 0.2639 0.2639-0.0000 ( 6472 PWs) bands (ev): -4.6526 -4.6524 -4.1477 -4.1471 -3.9462 -3.9452 -3.8381 -3.8377 -0.4196 -0.4153 -0.1409 -0.1335 0.2198 0.2275 0.3410 0.3463 3.6718 3.6886 3.7909 3.8011 3.9566 3.9682 4.3100 4.3363 4.3382 4.3452 4.4749 4.4906 4.5508 4.5779 4.6870 4.7072 4.9101 4.9733 5.0660 5.0776 5.1607 5.1800 5.3859 5.3970 5.4763 5.5622 5.5921 5.6730 5.8098 5.8218 6.0754 6.0990 6.1773 6.2095 6.2296 6.2431 6.2734 6.3341 6.3730 6.3895 6.4248 6.4529 6.5151 6.5391 6.5961 6.6589 6.6741 6.6969 6.9219 6.9765 7.0267 7.0811 7.2737 7.3079 7.4022 7.4349 7.5355 7.5457 7.7151 7.7569 7.9760 7.9884 8.5403 8.5676 9.1917 9.2408 9.3385 9.4236 9.9604 9.9970 10.6070 10.6617 10.8284 10.8920 10.9470 11.0264 11.3973 11.5197 11.8460 11.8666 11.9806 12.0671 12.2863 12.3752 k = 0.2500 0.2500-0.0000 ( 6458 PWs) bands (ev): -4.6789 -4.6787 -4.1356 -4.1349 -3.9433 -3.9423 -3.8356 -3.8352 -0.4038 -0.3992 -0.1067 -0.0985 0.2156 0.2242 0.3417 0.3472 3.6828 3.6992 3.8038 3.8147 3.9499 3.9603 4.3287 4.3528 4.3567 4.3640 4.4747 4.4888 4.5585 4.5846 4.7076 4.7241 4.8858 4.9591 5.0283 5.0466 5.1254 5.1377 5.3958 5.4148 5.4597 5.5540 5.5906 5.6741 5.8247 5.8337 6.0763 6.0996 6.1770 6.2100 6.2341 6.2471 6.2682 6.3358 6.3766 6.3843 6.4170 6.4483 6.5079 6.5302 6.5915 6.6475 6.6736 6.6875 6.8998 6.9467 7.0075 7.0571 7.2284 7.2707 7.3919 7.4121 7.4849 7.4966 7.7278 7.7682 7.9935 8.0055 8.5073 8.5333 9.1503 9.1961 9.2911 9.3751 9.9180 9.9511 10.6452 10.7014 10.9142 10.9450 10.9814 11.0196 11.4362 11.5593 11.8814 11.9157 11.9765 12.0826 12.3130 12.4220 k = 0.2361 0.2361-0.0000 ( 6478 PWs) bands (ev): -4.7042 -4.7041 -4.1232 -4.1225 -3.9406 -3.9395 -3.8340 -3.8336 -0.3866 -0.3818 -0.0738 -0.0646 0.2124 0.2221 0.3409 0.3466 3.6940 3.7097 3.8154 3.8268 3.9426 3.9517 4.3460 4.3682 4.3740 4.3828 4.4730 4.4872 4.5678 4.5921 4.7261 4.7385 4.8642 4.9408 4.9996 5.0282 5.0906 5.0963 5.4050 5.4334 5.4529 5.5513 5.5899 5.6766 5.8387 5.8450 6.0763 6.1000 6.1764 6.2100 6.2376 6.2498 6.2626 6.3360 6.3773 6.3811 6.4096 6.4437 6.5018 6.5225 6.5871 6.6363 6.6686 6.6818 6.8742 6.9137 6.9873 7.0299 7.1698 7.2207 7.3782 7.3921 7.4325 7.4543 7.7455 7.7838 8.0157 8.0279 8.4743 8.4993 9.1102 9.1525 9.2457 9.3280 9.8561 9.8874 10.6858 10.7424 10.9321 11.0183 11.0268 11.0781 11.4754 11.5959 11.9032 11.9603 11.9701 12.1063 12.3448 12.4652 k = 0.2222 0.2222-0.0000 ( 6470 PWs) bands (ev): -4.7286 -4.7285 -4.1105 -4.1098 -3.9379 -3.9368 -3.8333 -3.8328 -0.3682 -0.3632 -0.0429 -0.0326 0.2106 0.2215 0.3384 0.3443 3.7049 3.7196 3.8251 3.8366 3.9344 3.9422 4.3622 4.3838 4.3905 4.4021 4.4717 4.4884 4.5783 4.6007 4.7417 4.7500 4.8445 4.9150 4.9809 5.0176 5.0499 5.0702 5.4094 5.4406 5.4706 5.5550 5.5905 5.6808 5.8508 5.8565 6.0750 6.1000 6.1758 6.2096 6.2396 6.2503 6.2583 6.3342 6.3724 6.3829 6.4029 6.4390 6.4966 6.5156 6.5827 6.6249 6.6579 6.6804 6.8465 6.8788 6.9655 6.9988 7.1051 7.1679 7.3427 7.3666 7.3953 7.4244 7.7664 7.8021 8.0399 8.0529 8.4414 8.4657 9.0717 9.1106 9.2023 9.2824 9.7817 9.8119 10.7148 10.7668 10.9593 11.0392 11.1258 11.1744 11.5157 11.6305 11.9104 11.9591 12.0058 12.1376 12.3783 12.4937 k = 0.2083 0.2083-0.0000 ( 6476 PWs) bands (ev): -4.7520 -4.7519 -4.0976 -4.0969 -3.9353 -3.9342 -3.8334 -3.8330 -0.3486 -0.3433 -0.0149 -0.0035 0.2112 0.2234 0.3342 0.3402 3.7151 3.7283 3.8320 3.8433 3.9247 3.9315 4.3778 4.4008 4.4069 4.4217 4.4739 4.4936 4.5892 4.6098 4.7531 4.7588 4.8278 4.8886 4.9576 5.0035 5.0186 5.0615 5.4083 5.4477 5.4994 5.5658 5.5926 5.6871 5.8603 5.8685 6.0719 6.0992 6.1753 6.2089 6.2382 6.2485 6.2566 6.3304 6.3666 6.3851 6.3967 6.4340 6.4919 6.5095 6.5781 6.6128 6.6439 6.6796 6.8180 6.8427 6.9381 6.9645 7.0406 7.1202 7.2945 7.3188 7.3802 7.4056 7.7894 7.8221 8.0640 8.0780 8.4088 8.4326 9.0353 9.0707 9.1611 9.2383 9.7001 9.7294 10.7228 10.7689 11.0131 11.0856 11.2237 11.2704 11.5584 11.6642 11.9072 11.9488 12.0488 12.1730 12.4102 12.5056 k = 0.1944 0.1944-0.0000 ( 6472 PWs) bands (ev): -4.7742 -4.7741 -4.0846 -4.0839 -3.9328 -3.9317 -3.8344 -3.8339 -0.3277 -0.3222 0.0092 0.0214 0.2151 0.2283 0.3281 0.3344 3.7240 3.7356 3.8356 3.8465 3.9131 3.9191 4.3939 4.4201 4.4239 4.4419 4.4817 4.5034 4.5999 4.6189 4.7580 4.7659 4.8160 4.8673 4.9258 4.9654 5.0196 5.0646 5.4066 5.4560 5.5307 5.5832 5.5970 5.6964 5.8678 5.8803 6.0660 6.0970 6.1752 6.2078 6.2327 6.2473 6.2555 6.3247 6.3606 6.3873 6.3901 6.4294 6.4876 6.5036 6.5728 6.5985 6.6274 6.6779 6.7906 6.8069 6.8981 6.9264 6.9874 7.0815 7.2452 7.2676 7.3660 7.3889 7.8138 7.8433 8.0867 8.1018 8.3768 8.4002 9.0012 9.0333 9.1220 9.1958 9.6154 9.6437 10.7142 10.7564 11.0826 11.1513 11.3161 11.3631 11.6055 11.6985 11.8976 11.9398 12.0907 12.2095 12.4383 12.5095 k = 0.1806 0.1806-0.0000 ( 6468 PWs) bands (ev): -4.7952 -4.7951 -4.0714 -4.0708 -3.9305 -3.9294 -3.8361 -3.8356 -0.3056 -0.2999 0.0285 0.0410 0.2230 0.2370 0.3204 0.3270 3.7314 3.7411 3.8355 3.8458 3.8993 3.9048 4.4116 4.4403 4.4445 4.4639 4.4953 4.5179 4.6094 4.6273 4.7575 4.7706 4.8091 4.8530 4.8909 4.9295 5.0254 5.0726 5.4067 5.4636 5.5613 5.6045 5.6054 5.7094 5.8735 5.8915 6.0567 6.0923 6.1755 6.2064 6.2255 6.2455 6.2539 6.3175 6.3551 6.3811 6.3896 6.4256 6.4835 6.4978 6.5660 6.5790 6.6102 6.6740 6.7632 6.7757 6.8479 6.8768 6.9569 7.0517 7.1991 7.2185 7.3483 7.3700 7.8388 7.8650 8.1069 8.1230 8.3458 8.3689 8.9697 8.9987 9.0851 9.1550 9.5303 9.5575 10.6974 10.7364 11.1576 11.2252 11.3978 11.4485 11.6589 11.7352 11.8846 11.9360 12.1313 12.2450 12.4622 12.5130 k = 0.1667 0.1667-0.0000 ( 6465 PWs) bands (ev): -4.8149 -4.8148 -4.0583 -4.0576 -3.9283 -3.9272 -3.8385 -3.8380 -0.2824 -0.2766 0.0426 0.0548 0.2350 0.2493 0.3111 0.3183 3.7370 3.7450 3.8318 3.8416 3.8835 3.8888 4.4314 4.4608 4.4703 4.4882 4.5141 4.5371 4.6173 4.6340 4.7553 4.7723 4.8032 4.8462 4.8575 4.9004 5.0316 5.0816 5.4095 5.4707 5.5869 5.6180 5.6294 5.7270 5.8772 5.9017 6.0434 6.0840 6.1763 6.2047 6.2185 6.2416 6.2523 6.3092 6.3502 6.3692 6.3907 6.4231 6.4794 6.4919 6.5476 6.5604 6.5955 6.6657 6.7327 6.7549 6.7942 6.8266 6.9406 7.0286 7.1578 7.1734 7.3264 7.3475 7.8638 7.8867 8.1239 8.1406 8.3163 8.3389 8.9408 8.9671 9.0505 9.1161 9.4471 9.4730 10.6775 10.7131 11.2317 11.2991 11.4652 11.5211 11.7146 11.7779 11.8706 11.9452 12.1712 12.2790 12.4826 12.5208 k = 0.1528 0.1528-0.0000 ( 6469 PWs) bands (ev): -4.8333 -4.8332 -4.0451 -4.0445 -3.9263 -3.9252 -3.8416 -3.8411 -0.2582 -0.2521 0.0518 0.0630 0.2490 0.2637 0.3012 0.3099 3.7408 3.7471 3.8248 3.8340 3.8660 3.8712 4.4528 4.4832 4.4975 4.5158 4.5382 4.5614 4.6229 4.6386 4.7533 4.7724 4.7933 4.8268 4.8472 4.8814 5.0370 5.0895 5.4153 5.4779 5.6045 5.6373 5.6546 5.7489 5.8788 5.9109 6.0258 6.0708 6.1772 6.2018 6.2138 6.2345 6.2510 6.3000 6.3454 6.3546 6.3897 6.4210 6.4752 6.4850 6.5137 6.5491 6.5832 6.6504 6.7045 6.7274 6.7559 6.7859 6.9306 7.0106 7.1216 7.1340 7.3004 7.3209 7.8882 7.9079 8.1371 8.1539 8.2889 8.3108 8.9148 8.9387 9.0184 9.0793 9.3673 9.3919 10.6572 10.6889 11.3002 11.3675 11.5178 11.5762 11.7516 11.8274 11.8697 11.9778 12.2116 12.3117 12.5017 12.5348 k = 0.1389 0.1389-0.0000 ( 6475 PWs) bands (ev): -4.8502 -4.8501 -4.0320 -4.0315 -3.9244 -3.9234 -3.8454 -3.8449 -0.2329 -0.2267 0.0572 0.0670 0.2585 0.2729 0.2969 0.3071 3.7428 3.7476 3.8150 3.8239 3.8474 3.8528 4.4745 4.5056 4.5239 4.5485 4.5672 4.5909 4.6265 4.6417 4.7482 4.7724 4.7793 4.8091 4.8503 4.8729 5.0408 5.0951 5.4242 5.4856 5.6179 5.6570 5.6805 5.7729 5.8774 5.9186 6.0045 6.0519 6.1780 6.1970 6.2127 6.2239 6.2498 6.2901 6.3353 6.3430 6.3847 6.4168 6.4681 6.4739 6.4866 6.5367 6.5719 6.6292 6.6739 6.6837 6.7457 6.7614 6.9245 6.9963 7.0905 7.1012 7.2707 7.2906 7.9112 7.9278 8.1460 8.1624 8.2646 8.2853 8.8916 8.9136 8.9890 9.0449 9.2919 9.3154 10.6376 10.6651 11.3603 11.4273 11.5579 11.6139 11.7616 11.8263 11.9408 12.0362 12.2545 12.3443 12.5219 12.5537 k = 0.1250 0.1250-0.0000 ( 6495 PWs) bands (ev): -4.8657 -4.8656 -4.0191 -4.0185 -3.9227 -3.9218 -3.8499 -3.8494 -0.2068 -0.2004 0.0596 0.0680 0.2545 0.2646 0.3093 0.3172 3.7432 3.7468 3.8034 3.8120 3.8285 3.8340 4.4952 4.5251 4.5501 4.5829 4.6002 4.6231 4.6299 4.6458 4.7369 4.7571 4.7829 4.8069 4.8552 4.8718 5.0427 5.0977 5.4362 5.4940 5.6295 5.6755 5.7052 5.7957 5.8718 5.9237 5.9813 6.0275 6.1776 6.1912 6.2094 6.2147 6.2483 6.2798 6.3192 6.3354 6.3720 6.4073 6.4499 6.4670 6.4778 6.5244 6.5598 6.6069 6.6336 6.6496 6.7396 6.7569 6.9215 6.9852 7.0643 7.0752 7.2382 7.2573 7.9319 7.9455 8.1505 8.1660 8.2442 8.2628 8.8714 8.8919 8.9624 9.0133 9.2216 9.2446 10.6194 10.6428 11.4106 11.4767 11.5877 11.6373 11.7568 11.8103 12.0364 12.1119 12.3013 12.3789 12.5445 12.5753 k = 0.1111 0.1111-0.0000 ( 6491 PWs) bands (ev): -4.8797 -4.8796 -4.0063 -4.0058 -3.9212 -3.9203 -3.8549 -3.8544 -0.1800 -0.1734 0.0601 0.0671 0.2406 0.2488 0.3283 0.3347 3.7423 3.7448 3.7906 3.7990 3.8099 3.8155 4.5139 4.5412 4.5742 4.6078 4.6305 4.6365 4.6521 4.6628 4.7289 4.7444 4.7947 4.8145 4.8607 4.8749 5.0427 5.0968 5.4510 5.5032 5.6386 5.6946 5.7270 5.8138 5.8600 5.9243 5.9603 5.9986 6.1726 6.1841 6.1978 6.2161 6.2461 6.2692 6.3048 6.3230 6.3545 6.3957 6.4384 6.4580 6.4754 6.5138 6.5453 6.5868 6.5979 6.6174 6.7391 6.7626 6.9214 6.9770 7.0431 7.0552 7.2040 7.2220 7.9494 7.9601 8.1509 8.1654 8.2279 8.2437 8.8541 8.8737 8.9388 8.9849 9.1568 9.1802 10.6029 10.6224 11.4515 11.5157 11.6086 11.6495 11.7455 11.7936 12.1360 12.1957 12.3523 12.4166 12.5689 12.5977 k = 0.0972 0.0972-0.0000 ( 6481 PWs) bands (ev): -4.8921 -4.8920 -3.9937 -3.9933 -3.9199 -3.9191 -3.8605 -3.8601 -0.1524 -0.1457 0.0594 0.0652 0.2225 0.2300 0.3481 0.3535 3.7404 3.7420 3.7776 3.7858 3.7922 3.7980 4.5304 4.5547 4.5911 4.6150 4.6331 4.6571 4.6746 4.7007 4.7339 4.7524 4.8093 4.8280 4.8665 4.8810 5.0409 5.0924 5.4677 5.5126 5.6435 5.7155 5.7450 5.8229 5.8412 5.9174 5.9464 5.9683 6.1583 6.1766 6.1918 6.2170 6.2416 6.2608 6.2930 6.3072 6.3417 6.3835 6.4274 6.4443 6.4768 6.5057 6.5292 6.5684 6.5720 6.5885 6.7449 6.7727 6.9239 6.9714 7.0269 7.0400 7.1695 7.1861 7.9624 7.9706 8.1487 8.1627 8.2151 8.2276 8.8398 8.8590 8.9184 8.9600 9.0979 9.1226 10.5884 10.6043 11.4843 11.5453 11.6216 11.6528 11.7318 11.7778 12.2342 12.2808 12.4062 12.4575 12.5937 12.6195 k = 0.0833 0.0833-0.0000 ( 6489 PWs) bands (ev): -4.9029 -4.9029 -3.9814 -3.9810 -3.9187 -3.9180 -3.8667 -3.8663 -0.1243 -0.1174 0.0580 0.0627 0.2019 0.2091 0.3669 0.3714 3.7376 3.7386 3.7650 3.7730 3.7760 3.7820 4.5447 4.5661 4.5992 4.6150 4.6309 4.6482 4.7132 4.7416 4.7501 4.7832 4.8262 4.8463 4.8727 4.8906 5.0376 5.0849 5.4847 5.5222 5.6431 5.7372 5.7574 5.8088 5.8285 5.9044 5.9361 5.9450 6.1417 6.1643 6.1898 6.2158 6.2375 6.2571 6.2832 6.2957 6.3319 6.3692 6.4117 6.4253 6.4797 6.4996 6.5152 6.5492 6.5572 6.5651 6.7557 6.7853 6.9288 6.9682 7.0151 7.0284 7.1358 7.1509 7.9702 7.9763 8.1463 8.1602 8.2040 8.2136 8.8288 8.8480 8.9010 8.9389 9.0449 9.0719 10.5760 10.5886 11.5104 11.5668 11.6279 11.6497 11.7182 11.7633 12.3273 12.3623 12.4607 12.5007 12.6177 12.6395 k = 0.0694 0.0694-0.0000 ( 6495 PWs) bands (ev): -4.9121 -4.9121 -3.9694 -3.9691 -3.9177 -3.9171 -3.8735 -3.8731 -0.0957 -0.0887 0.0565 0.0601 0.1794 0.1866 0.3838 0.3875 3.7343 3.7351 3.7534 3.7604 3.7624 3.7679 4.5569 4.5755 4.6016 4.6133 4.6246 4.6356 4.7503 4.7695 4.7862 4.8144 4.8466 4.8678 4.8825 4.9054 5.0333 5.0748 5.4988 5.5319 5.6380 5.7533 5.7579 5.7827 5.8226 5.8901 5.9250 5.9353 6.1276 6.1484 6.1897 6.2132 6.2368 6.2560 6.2748 6.2890 6.3227 6.3534 6.3907 6.4009 6.4828 6.4947 6.5068 6.5347 6.5453 6.5485 6.7699 6.7988 6.9360 6.9675 7.0070 7.0197 7.1042 7.1177 7.9727 7.9774 8.1459 8.1592 8.1937 8.2009 8.8211 8.8405 8.8866 8.9219 8.9977 9.0279 10.5657 10.5754 11.5316 11.5813 11.6285 11.6425 11.7066 11.7504 12.4111 12.4351 12.5138 12.5452 12.6400 12.6574 k = 0.0556 0.0556-0.0000 ( 6503 PWs) bands (ev): -4.9197 -4.9197 -3.9578 -3.9575 -3.9169 -3.9164 -3.8808 -3.8805 -0.0669 -0.0598 0.0550 0.0576 0.1555 0.1625 0.3983 0.4012 3.7308 3.7318 3.7434 3.7484 3.7519 3.7562 4.5671 4.5833 4.6010 4.6112 4.6172 4.6239 4.7831 4.7962 4.8181 4.8350 4.8683 4.8863 4.9066 4.9277 5.0285 5.0631 5.5063 5.5404 5.6317 5.7348 5.7519 5.7653 5.8296 5.8831 5.9199 5.9288 6.1170 6.1340 6.1901 6.2097 6.2382 6.2552 6.2679 6.2848 6.3140 6.3377 6.3671 6.3728 6.4857 6.4912 6.5030 6.5229 6.5360 6.5384 6.7860 6.8119 6.9452 6.9691 7.0019 7.0132 7.0756 7.0874 7.9710 7.9747 8.1480 8.1597 8.1840 8.1893 8.8173 8.8366 8.8749 8.9088 8.9563 8.9905 10.5574 10.5648 11.5491 11.5900 11.6244 11.6340 11.6986 11.7389 12.4799 12.4941 12.5649 12.5911 12.6600 12.6731 k = 0.0417 0.0417-0.0000 ( 6505 PWs) bands (ev): -4.9256 -4.9256 -3.9466 -3.9463 -3.9163 -3.9159 -3.8887 -3.8884 -0.0380 -0.0307 0.0537 0.0554 0.1303 0.1372 0.4100 0.4121 3.7275 3.7288 3.7352 3.7385 3.7437 3.7471 4.5756 4.5895 4.5989 4.6089 4.6109 4.6143 4.8091 4.8214 4.8387 4.8469 4.8825 4.9089 4.9387 4.9564 5.0239 5.0510 5.5068 5.5416 5.6312 5.7083 5.7309 5.7467 5.8511 5.8872 5.9177 5.9237 6.1097 6.1229 6.1899 6.2046 6.2403 6.2535 6.2632 6.2815 6.3067 6.3237 6.3425 6.3469 6.4879 6.4898 6.5007 6.5130 6.5306 6.5321 6.8018 6.8230 6.9560 6.9733 6.9992 7.0082 7.0506 7.0607 7.9670 7.9700 8.1518 8.1611 8.1753 8.1790 8.8176 8.8358 8.8656 8.9000 8.9206 8.9593 10.5512 10.5565 11.5639 11.5941 11.6170 11.6259 11.6950 11.7287 12.5288 12.5365 12.6142 12.6362 12.6769 12.6864 k = 0.0278 0.0278-0.0000 ( 6489 PWs) bands (ev): -4.9299 -4.9298 -3.9357 -3.9355 -3.9158 -3.9155 -3.8971 -3.8968 -0.0092 -0.0017 0.0529 0.0535 0.1041 0.1109 0.4187 0.4201 3.7249 3.7261 3.7292 3.7311 3.7381 3.7406 4.5823 4.5937 4.5969 4.6059 4.6068 4.6079 4.8289 4.8394 4.8507 4.8533 4.8958 4.9277 4.9706 4.9840 5.0205 5.0397 5.5035 5.5317 5.6413 5.6884 5.7077 5.7239 5.8755 5.8966 5.9155 5.9203 6.1054 6.1147 6.1889 6.1980 6.2429 6.2518 6.2603 6.2766 6.3020 6.3123 6.3207 6.3278 6.4894 6.4907 6.4986 6.5050 6.5278 6.5284 6.8158 6.8307 6.9677 6.9803 6.9984 7.0040 7.0295 7.0380 7.9627 7.9649 8.1561 8.1623 8.1685 8.1708 8.8224 8.8377 8.8581 8.8905 8.8958 8.9344 10.5470 10.5504 11.5768 11.5957 11.6091 11.6174 11.6956 11.7196 12.5589 12.5635 12.6580 12.6740 12.6902 12.6967 k = 0.0139 0.0139-0.0000 ( 6459 PWs) bands (ev): -4.9324 -4.9324 -3.9253 -3.9252 -3.9155 -3.9154 -3.9060 -3.9058 0.0192 0.0272 0.0518 0.0529 0.0774 0.0836 0.4241 0.4247 3.7236 3.7243 3.7255 3.7262 3.7352 3.7365 4.5872 4.5928 4.5992 4.6027 4.6039 4.6048 4.8437 4.8489 4.8543 4.8565 4.9118 4.9338 4.9971 5.0043 5.0193 5.0288 5.5016 5.5170 5.6585 5.6783 5.6893 5.7008 5.8964 5.9052 5.9131 5.9170 6.1039 6.1088 6.1875 6.1917 6.2469 6.2525 6.2577 6.2666 6.3011 6.3053 6.3095 6.3139 6.4913 6.4925 6.4965 6.4989 6.5265 6.5267 6.8264 6.8342 6.9798 6.9903 6.9995 6.9996 7.0128 7.0189 7.9598 7.9609 8.1598 8.1626 8.1643 8.1654 8.8320 8.8415 8.8519 8.8659 8.8965 8.9155 10.5449 10.5466 11.5882 11.5966 11.6028 11.6084 11.6991 11.7116 12.5753 12.5778 12.6895 12.6975 12.6997 12.7027 k = 0.0000 0.0000 0.0000 ( 6451 PWs) bands (ev): -4.9333 -4.9333 -3.9155 -3.9155 -3.9152 -3.9152 -3.9152 -3.9152 0.0449 0.0449 0.0557 0.0557 0.0557 0.0557 0.4261 0.4261 3.7239 3.7239 3.7239 3.7239 3.7347 3.7347 4.5905 4.5905 4.6021 4.6021 4.6021 4.6021 4.8532 4.8532 4.8533 4.8533 4.9266 4.9266 5.0158 5.0158 5.0158 5.0158 5.5057 5.5057 5.6788 5.6788 5.6788 5.6788 5.9102 5.9102 5.9102 5.9102 6.1051 6.1051 6.1879 6.1879 6.2549 6.2549 6.2549 6.2549 6.3050 6.3050 6.3050 6.3050 6.4944 6.4944 6.4944 6.4944 6.5262 6.5262 6.8327 6.8327 6.9914 6.9914 7.0031 7.0031 7.0031 7.0031 7.9591 7.9591 8.1626 8.1626 8.1626 8.1626 8.8464 8.8464 8.8464 8.8464 8.9029 8.9029 10.5447 10.5447 11.5987 11.5987 11.5987 11.5987 11.7046 11.7046 12.5814 12.5814 12.7035 12.7035 12.7035 12.7035 k = 0.0000 0.0000 0.0000 ( 6451 PWs) bands (ev): -4.9333 -4.9333 -3.9155 -3.9155 -3.9152 -3.9152 -3.9152 -3.9152 0.0449 0.0449 0.0557 0.0557 0.0557 0.0557 0.4261 0.4261 3.7239 3.7239 3.7239 3.7239 3.7347 3.7347 4.5905 4.5905 4.6021 4.6021 4.6021 4.6021 4.8532 4.8532 4.8533 4.8533 4.9266 4.9266 5.0158 5.0158 5.0158 5.0158 5.5057 5.5057 5.6788 5.6788 5.6788 5.6788 5.9102 5.9102 5.9102 5.9102 6.1051 6.1051 6.1879 6.1879 6.2549 6.2549 6.2549 6.2549 6.3050 6.3050 6.3050 6.3050 6.4944 6.4944 6.4944 6.4944 6.5262 6.5262 6.8327 6.8327 6.9914 6.9914 7.0031 7.0031 7.0031 7.0031 7.9591 7.9591 8.1626 8.1626 8.1626 8.1626 8.8464 8.8464 8.8464 8.8464 8.9029 8.9029 10.5447 10.5447 11.5987 11.5987 11.5987 11.5987 11.7046 11.7046 12.5814 12.5814 12.7035 12.7035 12.7035 12.7035 k = 0.0114 0.0114 0.0114 ( 6466 PWs) bands (ev): -4.9324 -4.9324 -3.9253 -3.9251 -3.9155 -3.9155 -3.9059 -3.9057 0.0192 0.0272 0.0518 0.0528 0.0775 0.0837 0.4240 0.4247 3.7235 3.7244 3.7258 3.7259 3.7352 3.7365 4.5871 4.5929 4.5990 4.6032 4.6036 4.6047 4.8441 4.8486 4.8534 4.8572 4.9125 4.9330 4.9997 5.0016 5.0190 5.0293 5.5014 5.5174 5.6576 5.6840 5.6845 5.7007 5.8988 5.9033 5.9115 5.9180 6.1039 6.1088 6.1875 6.1918 6.2469 6.2548 6.2551 6.2671 6.3014 6.3049 6.3099 6.3137 6.4916 6.4920 6.4969 6.4986 6.5265 6.5266 6.8264 6.8341 6.9799 6.9913 6.9980 6.9992 7.0134 7.0191 7.9598 7.9609 8.1603 8.1629 8.1639 8.1651 8.8318 8.8422 8.8511 8.8662 8.8965 8.9155 10.5449 10.5466 11.5880 11.5973 11.6021 11.6086 11.6991 11.7116 12.5753 12.5779 12.6908 12.6974 12.6997 12.7013 k = 0.0227 0.0227 0.0227 ( 6490 PWs) bands (ev): -4.9298 -4.9298 -3.9355 -3.9353 -3.9161 -3.9160 -3.8969 -3.8967 -0.0093 -0.0018 0.0528 0.0536 0.1043 0.1110 0.4186 0.4200 3.7248 3.7270 3.7294 3.7302 3.7383 3.7404 4.5818 4.5951 4.5952 4.6067 4.6069 4.6078 4.8295 4.8420 4.8440 4.8563 4.9012 4.9218 4.9690 4.9892 5.0175 5.0392 5.5030 5.5348 5.6394 5.6978 5.7010 5.7204 5.8863 5.8911 5.9090 5.9216 6.1057 6.1146 6.1885 6.1989 6.2444 6.2539 6.2562 6.2770 6.3064 6.3100 6.3197 6.3273 6.4897 6.4901 6.4995 6.5046 6.5278 6.5282 6.8159 6.8305 6.9685 6.9836 6.9941 7.0020 7.0307 7.0391 7.9630 7.9652 8.1581 8.1648 8.1667 8.1677 8.8223 8.8388 8.8564 8.8914 8.8957 8.9345 10.5470 10.5505 11.5764 11.5968 11.6077 11.6180 11.6956 11.7197 12.5596 12.5645 12.6625 12.6796 12.6831 12.6910 k = 0.0341 0.0341 0.0341 ( 6505 PWs) bands (ev): -4.9256 -4.9256 -3.9460 -3.9458 -3.9170 -3.9169 -3.8883 -3.8881 -0.0383 -0.0309 0.0536 0.0554 0.1306 0.1374 0.4100 0.4120 3.7278 3.7313 3.7344 3.7367 3.7445 3.7465 4.5743 4.5904 4.5965 4.6082 4.6124 4.6158 4.8101 4.8234 4.8340 4.8515 4.8913 4.8961 4.9285 4.9798 5.0159 5.0431 5.5088 5.5536 5.6262 5.7151 5.7266 5.7348 5.8759 5.8762 5.9062 5.9220 6.1110 6.1226 6.1883 6.2078 6.2460 6.2521 6.2584 6.2805 6.3206 6.3209 6.3345 6.3469 6.4874 6.4900 6.5022 6.5128 6.5307 6.5313 6.8021 6.8224 6.9582 6.9802 6.9913 7.0028 7.0525 7.0631 7.9684 7.9714 8.1560 8.1675 8.1705 8.1706 8.8180 8.8373 8.8630 8.8998 8.9223 8.9596 10.5512 10.5566 11.5635 11.5950 11.6147 11.6270 11.6950 11.7288 12.5341 12.5406 12.6206 12.6453 12.6615 12.6732 k = 0.0455 0.0455 0.0455 ( 6493 PWs) bands (ev): -4.9197 -4.9196 -3.9567 -3.9565 -3.9183 -3.9182 -3.8802 -3.8801 -0.0673 -0.0601 0.0547 0.0577 0.1559 0.1627 0.3982 0.4010 3.7325 3.7369 3.7406 3.7445 3.7540 3.7554 4.5649 4.5846 4.5961 4.6093 4.6203 4.6265 4.7870 4.7969 4.8217 4.8440 4.8522 4.8715 4.9053 4.9730 5.0111 5.0394 5.5190 5.5692 5.6192 5.7315 5.7412 5.7534 5.8610 5.8725 5.9063 5.9213 6.1209 6.1335 6.1859 6.2172 6.2494 6.2496 6.2613 6.2823 6.3363 6.3383 6.3530 6.3712 6.4847 6.4918 6.5051 6.5237 6.5360 6.5363 6.7866 6.8106 6.9492 6.9813 6.9899 7.0029 7.0783 7.0909 7.9753 7.9791 8.1539 8.1704 8.1736 8.1745 8.8188 8.8384 8.8715 8.9082 8.9590 8.9908 10.5575 10.5650 11.5489 11.5899 11.6219 11.6358 11.6977 11.7390 12.4990 12.5061 12.5672 12.5994 12.6338 12.6490 k = 0.0568 0.0568 0.0568 ( 6499 PWs) bands (ev): -4.9121 -4.9120 -3.9676 -3.9673 -3.9199 -3.9198 -3.8728 -3.8726 -0.0963 -0.0893 0.0562 0.0601 0.1800 0.1867 0.3835 0.3871 3.7388 3.7438 3.7477 3.7525 3.7662 3.7674 4.5533 4.5776 4.5939 4.6097 4.6285 4.6387 4.7621 4.7692 4.7878 4.8232 4.8296 4.8349 4.9056 4.9673 5.0008 5.0283 5.5338 5.5794 5.6176 5.7397 5.7423 5.7708 5.8512 5.8761 5.9104 5.9219 6.1356 6.1480 6.1822 6.2274 6.2466 6.2529 6.2650 6.2851 6.3554 6.3557 6.3728 6.3967 6.4812 6.4960 6.5087 6.5378 6.5434 6.5453 6.7712 6.7965 6.9420 6.9871 6.9901 7.0030 7.1075 7.1220 7.9830 7.9873 8.1517 8.1727 8.1768 8.1780 8.8248 8.8427 8.8823 8.9205 9.0018 9.0283 10.5659 10.5758 11.5323 11.5799 11.6276 11.6442 11.7024 11.7498 12.4545 12.4609 12.5043 12.5443 12.6014 12.6197 k = 0.0682 0.0682 0.0682 ( 6496 PWs) bands (ev): -4.9028 -4.9027 -3.9785 -3.9783 -3.9219 -3.9217 -3.8659 -3.8658 -0.1251 -0.1183 0.0576 0.0626 0.2026 0.2093 0.3662 0.3706 3.7465 3.7519 3.7557 3.7605 3.7808 3.7821 4.5394 4.5689 4.5900 4.6093 4.6322 4.6481 4.7372 4.7432 4.7439 4.7780 4.8211 4.8249 4.9075 4.9611 4.9850 5.0118 5.5530 5.5841 5.6194 5.7342 5.7442 5.7702 5.8503 5.8847 5.9172 5.9262 6.1527 6.1629 6.1815 6.2366 6.2499 6.2553 6.2705 6.2896 6.3720 6.3758 6.3911 6.4198 6.4768 6.5038 6.5138 6.5526 6.5555 6.5601 6.7579 6.7817 6.9371 6.9921 6.9976 7.0036 7.1396 7.1557 7.9906 7.9954 8.1492 8.1738 8.1801 8.1804 8.8361 8.8508 8.8959 8.9365 9.0510 9.0722 10.5765 10.5891 11.5131 11.5648 11.6302 11.6524 11.7062 11.7599 12.4014 12.4060 12.4335 12.4827 12.5670 12.5870 k = 0.0795 0.0795 0.0795 ( 6490 PWs) bands (ev): -4.8919 -4.8919 -3.9895 -3.9893 -3.9241 -3.9239 -3.8598 -3.8596 -0.1537 -0.1470 0.0588 0.0650 0.2235 0.2303 0.3468 0.3519 3.7552 3.7612 3.7642 3.7685 3.7971 3.7988 4.5232 4.5580 4.5837 4.6076 4.6217 4.6384 4.7142 4.7179 4.7252 4.7467 4.8148 4.8155 4.9091 4.9524 4.9652 4.9931 5.5749 5.5843 5.6216 5.7294 5.7360 5.7548 5.8536 5.8960 5.9246 5.9349 6.1662 6.1667 6.1941 6.2363 6.2570 6.2735 6.2796 6.2951 6.3864 6.3958 6.4058 6.4383 6.4715 6.5164 6.5219 6.5638 6.5764 6.5812 6.7485 6.7678 6.9347 6.9964 7.0053 7.0130 7.1739 7.1913 7.9972 8.0024 8.1464 8.1733 8.1813 8.1835 8.8527 8.8629 8.9123 8.9559 9.1067 9.1227 10.5894 10.6049 11.4906 11.5446 11.6281 11.6603 11.7053 11.7677 12.3406 12.3423 12.3565 12.4168 12.5343 12.5540 k = 0.0909 0.0909 0.0909 ( 6481 PWs) bands (ev): -4.8794 -4.8794 -4.0005 -4.0003 -3.9266 -3.9263 -3.8543 -3.8541 -0.1818 -0.1753 0.0594 0.0668 0.2423 0.2493 0.3259 0.3316 3.7645 3.7714 3.7733 3.7761 3.8145 3.8166 4.5045 4.5446 4.5697 4.5974 4.6002 4.6037 4.6952 4.7063 4.7241 4.7435 4.8054 4.8121 4.9101 4.9389 4.9434 4.9766 5.5812 5.5966 5.6218 5.7172 5.7278 5.7314 5.8565 5.9100 5.9322 5.9471 6.1652 6.1727 6.2095 6.2343 6.2584 6.2939 6.3013 6.3099 6.3983 6.4140 6.4167 6.4517 6.4656 6.5341 6.5345 6.5772 6.5996 6.6082 6.7440 6.7563 6.9348 7.0035 7.0086 7.0332 7.2093 7.2277 8.0016 8.0072 8.1432 8.1716 8.1809 8.1871 8.8747 8.8796 8.9314 8.9785 9.1690 9.1799 10.6043 10.6233 11.4643 11.5190 11.6199 11.6676 11.6965 11.7712 12.2714 12.2733 12.2746 12.3485 12.5070 12.5239 k = 0.1023 0.1023 0.1023 ( 6481 PWs) bands (ev): -4.8654 -4.8653 -4.0114 -4.0112 -3.9294 -3.9291 -3.8495 -3.8494 -0.2094 -0.2031 0.0589 0.0675 0.2581 0.2663 0.3049 0.3103 3.7733 3.7824 3.7830 3.7832 3.8319 3.8346 4.4833 4.5281 4.5362 4.5542 4.5813 4.5966 4.6819 4.6885 4.7418 4.7582 4.7971 4.8115 4.9103 4.9205 4.9215 4.9642 5.5760 5.6120 5.6198 5.6889 5.7058 5.7293 5.8603 5.9278 5.9409 5.9611 6.1642 6.1740 6.2200 6.2328 6.2600 6.3076 6.3116 6.3509 6.4082 6.4243 6.4293 6.4599 6.4613 6.5519 6.5556 6.5935 6.6243 6.6402 6.7450 6.7486 6.9375 7.0141 7.0143 7.0575 7.2449 7.2637 8.0026 8.0086 8.1398 8.1691 8.1800 8.1908 8.9012 8.9022 8.9530 9.0037 9.2379 9.2439 10.6211 10.6439 11.4333 11.4877 11.6039 11.6741 11.6773 11.7691 12.1890 12.1953 12.2015 12.2796 12.4877 12.4995 k = 0.1136 0.1136 0.1136 ( 6487 PWs) bands (ev): -4.8499 -4.8498 -4.0222 -4.0220 -3.9324 -3.9321 -3.8454 -3.8453 -0.2364 -0.2303 0.0565 0.0665 0.2660 0.2811 0.2888 0.2893 3.7810 3.7891 3.7938 3.7943 3.8483 3.8516 4.4596 4.4951 4.5084 4.5106 4.5710 4.5859 4.6751 4.6756 4.7600 4.7791 4.7904 4.8155 4.9010 4.9015 4.9101 4.9542 5.5676 5.6076 5.6168 5.6547 5.6907 5.7327 5.8677 5.9495 5.9514 5.9757 6.1644 6.1728 6.2261 6.2318 6.2620 6.3137 6.3287 6.3891 6.4164 6.4297 6.4410 6.4557 6.4689 6.5706 6.5794 6.6148 6.6497 6.6762 6.7463 6.7509 6.9430 7.0233 7.0286 7.0851 7.2795 7.2984 7.9991 8.0054 8.1362 8.1669 8.1795 8.1949 8.9280 8.9353 8.9768 9.0313 9.3134 9.3147 10.6394 10.6663 11.3970 11.4503 11.5787 11.6472 11.6793 11.7610 12.1012 12.1167 12.1275 12.2119 12.4768 12.4820 k = 0.1250 0.1250 0.1250 ( 6493 PWs) bands (ev): -4.8328 -4.8327 -4.0328 -4.0325 -3.9356 -3.9352 -3.8422 -3.8421 -0.2627 -0.2569 0.0514 0.0627 0.2533 0.2681 0.2927 0.2935 3.7872 3.7939 3.8052 3.8061 3.8621 3.8661 4.4341 4.4567 4.4727 4.4857 4.5610 4.5728 4.6679 4.6741 4.7733 4.7857 4.8016 4.8261 4.8834 4.8855 4.9102 4.9451 5.5509 5.5757 5.6144 5.6236 5.6936 5.7367 5.8809 5.9633 5.9733 5.9911 6.1655 6.1708 6.2299 6.2313 6.2647 6.3196 6.3428 6.4177 6.4235 6.4333 6.4495 6.4563 6.4757 6.5859 6.6045 6.6408 6.6757 6.7139 6.7511 6.7612 6.9526 7.0369 7.0470 7.1150 7.3121 7.3306 7.9903 7.9969 8.1327 8.1659 8.1803 8.1993 8.9602 8.9738 9.0023 9.0607 9.3918 9.3951 10.6584 10.6900 11.3546 11.4063 11.5438 11.6076 11.6819 11.7463 12.0129 12.0391 12.0537 12.1470 12.4703 12.4723 k = 0.1364 0.1364 0.1364 ( 6481 PWs) bands (ev): -4.8144 -4.8143 -4.0432 -4.0429 -3.9389 -3.9386 -3.8397 -3.8396 -0.2883 -0.2828 0.0428 0.0550 0.2351 0.2491 0.3012 0.3033 3.7920 3.7974 3.8165 3.8182 3.8718 3.8765 4.4083 4.4249 4.4420 4.4605 4.5505 4.5587 4.6653 4.6774 4.7801 4.7826 4.8226 4.8387 4.8699 4.8785 4.9120 4.9367 5.5182 5.5302 5.6071 5.6139 5.7029 5.7410 5.9000 5.9765 5.9944 6.0104 6.1675 6.1689 6.2315 6.2328 6.2683 6.3252 6.3533 6.4265 6.4304 6.4399 6.4557 6.4666 6.4821 6.5968 6.6307 6.6670 6.7027 6.7481 6.7636 6.7764 6.9686 7.0566 7.0686 7.1457 7.3420 7.3594 7.9761 7.9830 8.1294 8.1666 8.1830 8.2041 8.9976 9.0178 9.0290 9.0916 9.4749 9.4825 10.6770 10.7138 11.3058 11.3557 11.5004 11.5611 11.6797 11.7230 11.9269 11.9679 11.9824 12.0861 12.4618 12.4709 k = 0.1477 0.1477 0.1477 ( 6481 PWs) bands (ev): -4.7946 -4.7945 -4.0532 -4.0530 -3.9425 -3.9421 -3.8380 -3.8379 -0.3130 -0.3078 0.0297 0.0424 0.2191 0.2329 0.3080 0.3104 3.7953 3.7994 3.8271 3.8302 3.8759 3.8810 4.3837 4.4023 4.4193 4.4337 4.5393 4.5444 4.6672 4.6837 4.7800 4.7824 4.8386 4.8428 4.8622 4.8877 4.9171 4.9296 5.4749 5.4814 5.6037 5.6157 5.7124 5.7457 5.9239 5.9903 6.0091 6.0354 6.1671 6.1699 6.2324 6.2357 6.2728 6.3303 6.3608 6.4237 6.4375 6.4471 6.4605 6.4822 6.4884 6.6042 6.6575 6.6903 6.7312 6.7719 6.7812 6.7972 6.9937 7.0834 7.0924 7.1758 7.3683 7.3842 7.9573 7.9644 8.1267 8.1688 8.1874 8.2093 9.0399 9.0564 9.0671 9.1239 9.5633 9.5750 10.6938 10.7363 11.2505 11.2989 11.4515 11.5112 11.6668 11.6866 11.8494 11.9096 11.9153 12.0303 12.4531 12.4687 k = 0.1591 0.1591 0.1591 ( 6481 PWs) bands (ev): -4.7735 -4.7734 -4.0630 -4.0627 -3.9461 -3.9457 -3.8371 -3.8370 -0.3369 -0.3319 0.0119 0.0242 0.2067 0.2199 0.3124 0.3147 3.7973 3.8001 3.8364 3.8418 3.8735 3.8784 4.3600 4.3903 4.4060 4.4066 4.5276 4.5305 4.6727 4.6915 4.7763 4.7808 4.8430 4.8475 4.8621 4.9054 4.9248 4.9258 5.4316 5.4354 5.6073 5.6200 5.7214 5.7511 5.9506 6.0044 6.0207 6.0611 6.1658 6.1724 6.2346 6.2392 6.2783 6.3349 6.3661 6.4190 6.4453 6.4532 6.4643 6.4948 6.4967 6.6090 6.6850 6.7117 6.7618 6.7885 6.7993 6.8161 7.0286 7.1170 7.1176 7.2041 7.3907 7.4045 7.9350 7.9424 8.1249 8.1724 8.1932 8.2150 9.0838 9.0854 9.1215 9.1583 9.6560 9.6717 10.7067 10.7554 11.1888 11.2365 11.4013 11.4621 11.6315 11.6345 11.7922 11.8534 11.8689 11.9803 12.4407 12.4625 k = 0.1705 0.1705 0.1705 ( 6490 PWs) bands (ev): -4.7511 -4.7510 -4.0723 -4.0720 -3.9498 -3.9494 -3.8370 -3.8369 -0.3598 -0.3551 -0.0105 0.0009 0.1978 0.2100 0.3140 0.3160 3.7980 3.7994 3.8431 3.8527 3.8657 3.8685 4.3369 4.3784 4.3888 4.4048 4.5155 4.5171 4.6805 4.6994 4.7707 4.7756 4.8453 4.8501 4.8701 4.9219 4.9237 4.9351 5.3956 5.3975 5.6153 5.6271 5.7305 5.7575 5.9784 6.0184 6.0309 6.0848 6.1648 6.1747 6.2382 6.2435 6.2846 6.3392 6.3699 6.4138 6.4544 6.4590 6.4673 6.5014 6.5095 6.6122 6.7133 6.7328 6.7947 6.8023 6.8146 6.8289 7.0692 7.1438 7.1553 7.2296 7.4088 7.4199 7.9109 7.9184 8.1243 8.1770 8.2000 8.2209 9.1107 9.1308 9.1807 9.1974 9.7519 9.7715 10.7135 10.7684 11.1214 11.1693 11.3537 11.4184 11.5684 11.5713 11.7603 11.7966 11.8432 11.9370 12.4222 12.4493 k = 0.1818 0.1818 0.1818 ( 6481 PWs) bands (ev): -4.7276 -4.7275 -4.0812 -4.0809 -3.9536 -3.9532 -3.8377 -3.8376 -0.3817 -0.3773 -0.0368 -0.0266 0.1916 0.2024 0.3126 0.3144 3.7976 3.7977 3.8394 3.8521 3.8610 3.8626 4.3148 4.3519 4.3965 4.4126 4.5032 4.5042 4.6890 4.7060 4.7634 4.7680 4.8472 4.8477 4.8857 4.9282 4.9349 4.9422 5.3725 5.3731 5.6268 5.6367 5.7403 5.7651 6.0055 6.0320 6.0401 6.1056 6.1643 6.1768 6.2437 6.2490 6.2915 6.3431 6.3728 6.4087 6.4645 6.4651 6.4698 6.5082 6.5216 6.6143 6.7424 6.7541 6.8127 6.8268 6.8302 6.8391 7.1089 7.1717 7.1949 7.2514 7.4228 7.4304 7.8867 7.8940 8.1249 8.1822 8.2071 8.2270 9.1362 9.1705 9.2442 9.2454 9.8497 9.8730 10.7118 10.7723 11.0495 11.0977 11.3113 11.3851 11.4897 11.5061 11.7411 11.7446 11.8267 11.9010 12.3959 12.4276 k = 0.1932 0.1932 0.1932 ( 6481 PWs) bands (ev): -4.7030 -4.7029 -4.0896 -4.0894 -3.9574 -3.9570 -3.8392 -3.8391 -0.4025 -0.3984 -0.0660 -0.0570 0.1869 0.1965 0.3083 0.3098 3.7946 3.7966 3.8216 3.8314 3.8644 3.8714 4.2945 4.3271 4.4105 4.4271 4.4910 4.4917 4.6964 4.7097 4.7552 4.7593 4.8396 4.8425 4.9078 4.9395 4.9477 4.9478 5.3652 5.3655 5.6415 5.6487 5.7513 5.7741 6.0308 6.0452 6.0485 6.1230 6.1643 6.1785 6.2514 6.2554 6.2986 6.3468 6.3754 6.4036 6.4695 6.4717 6.4775 6.5154 6.5337 6.6160 6.7726 6.7745 6.8167 6.8378 6.8516 6.8680 7.1415 7.2021 7.2318 7.2693 7.4327 7.4362 7.8645 7.8713 8.1270 8.1878 8.2141 8.2331 9.1595 9.2017 9.3037 9.3114 9.9476 9.9744 10.7005 10.7652 10.9740 11.0224 11.2722 11.3659 11.4065 11.4500 11.6966 11.7232 11.8149 11.8730 12.3614 12.3969 k = 0.2045 0.2045 0.2045 ( 6475 PWs) bands (ev): -4.6775 -4.6773 -4.0975 -4.0973 -3.9612 -3.9608 -3.8415 -3.8414 -0.4222 -0.4184 -0.0972 -0.0893 0.1828 0.1912 0.3010 0.3023 3.7893 3.7949 3.7988 3.8094 3.8686 3.8791 4.2767 4.3046 4.4270 4.4444 4.4793 4.4797 4.7011 4.7101 4.7465 4.7501 4.8246 4.8274 4.9352 4.9568 4.9584 4.9660 5.3739 5.3744 5.6589 5.6629 5.7639 5.7845 6.0532 6.0562 6.0578 6.1371 6.1649 6.1802 6.2614 6.2624 6.3053 6.3502 6.3780 6.3986 6.4733 6.4737 6.4914 6.5233 6.5462 6.6173 6.7912 6.8037 6.8151 6.8514 6.8675 6.9078 7.1657 7.2326 7.2622 7.2836 7.4374 7.4389 7.8466 7.8521 8.1305 8.1936 8.2206 8.2389 9.1797 9.2254 9.3696 9.3816 10.0432 10.0735 10.6803 10.7471 10.8963 10.9445 11.2293 11.3245 11.3619 11.4148 11.6517 11.7017 11.8051 11.8527 12.3191 12.3577 k = 0.2159 0.2159 0.2159 ( 6481 PWs) bands (ev): -4.6510 -4.6509 -4.1049 -4.1046 -3.9650 -3.9646 -3.8446 -3.8445 -0.4408 -0.4372 -0.1296 -0.1228 0.1785 0.1859 0.2908 0.2918 3.7742 3.7745 3.7930 3.7953 3.8719 3.8853 4.2616 4.2849 4.4403 4.4597 4.4682 4.4690 4.7026 4.7074 4.7373 4.7410 4.8052 4.8057 4.9671 4.9737 4.9844 4.9912 5.3959 5.3963 5.6789 5.6790 5.7782 5.7966 6.0635 6.0696 6.0718 6.1485 6.1667 6.1820 6.2695 6.2737 6.3115 6.3535 6.3812 6.3938 6.4745 6.4771 6.5062 6.5321 6.5593 6.6185 6.8017 6.8103 6.8352 6.8709 6.8850 6.9491 7.1839 7.2578 7.2828 7.2948 7.4346 7.4420 7.8350 7.8385 8.1350 8.1994 8.2262 8.2442 9.1958 9.2425 9.4400 9.4536 10.1336 10.1672 10.6531 10.7205 10.8179 10.8653 11.1788 11.2472 11.3717 11.4059 11.6092 11.6760 11.7959 11.8385 12.2708 12.3116 k = 0.2273 0.2273 0.2273 ( 6469 PWs) bands (ev): -4.6238 -4.6236 -4.1116 -4.1114 -3.9687 -3.9684 -3.8484 -3.8483 -0.4580 -0.4547 -0.1626 -0.1567 0.1734 0.1799 0.2777 0.2784 3.7494 3.7510 3.7901 3.7909 3.8739 3.8902 4.2498 4.2685 4.4427 4.4573 4.4621 4.4665 4.7019 4.7025 4.7278 4.7325 4.7869 4.7882 4.9988 5.0028 5.0166 5.0223 5.4273 5.4275 5.6970 5.7013 5.7944 5.8102 6.0706 6.0805 6.0861 6.1576 6.1700 6.1844 6.2761 6.2880 6.3170 6.3567 6.3851 6.3893 6.4756 6.4797 6.5209 6.5429 6.5729 6.6195 6.8038 6.8068 6.8664 6.8960 6.9029 6.9912 7.1991 7.2739 7.2919 7.3045 7.4285 7.4422 7.8313 7.8321 8.1404 8.2049 8.2305 8.2487 9.2069 9.2529 9.5125 9.5259 10.2148 10.2512 10.6217 10.6888 10.7405 10.7870 11.1265 11.1788 11.3925 11.4177 11.5686 11.6472 11.7862 11.8280 12.2188 12.2608 k = 0.2386 0.2386 0.2386 ( 6475 PWs) bands (ev): -4.5959 -4.5957 -4.1178 -4.1176 -3.9724 -3.9721 -3.8529 -3.8528 -0.4740 -0.4710 -0.1956 -0.1904 0.1671 0.1729 0.2619 0.2624 3.7256 3.7268 3.7866 3.7889 3.8746 3.8934 4.2415 4.2559 4.4338 4.4471 4.4530 4.4584 4.6962 4.7008 4.7181 4.7245 4.7803 4.7810 5.0303 5.0415 5.0536 5.0577 5.4643 5.4655 5.7166 5.7259 5.8125 5.8254 6.0775 6.0903 6.0959 6.1650 6.1750 6.1878 6.2815 6.3035 6.3218 6.3598 6.3850 6.3899 6.4768 6.4815 6.5341 6.5564 6.5865 6.6202 6.7968 6.8094 6.8959 6.9202 6.9244 7.0334 7.2135 7.2792 7.2893 7.3144 7.4201 7.4400 7.8333 7.8357 8.1461 8.2100 8.2334 8.2522 9.2121 9.2562 9.5849 9.5964 10.2814 10.3199 10.5878 10.6551 10.6658 10.7123 11.0812 11.1241 11.4209 11.4422 11.5299 11.6163 11.7753 11.8189 12.1664 12.2083 k = 0.2500 0.2500 0.2500 ( 6469 PWs) bands (ev): -4.5674 -4.5672 -4.1233 -4.1231 -3.9760 -3.9757 -3.8581 -3.8580 -0.4887 -0.4859 -0.2282 -0.2237 0.1591 0.1643 0.2435 0.2437 3.7034 3.7040 3.7839 3.7871 3.8739 3.8949 4.2368 4.2473 4.4153 4.4335 4.4379 4.4384 4.6890 4.6990 4.7084 4.7161 4.7886 4.7910 5.0667 5.0825 5.0943 5.0964 5.5048 5.5073 5.7377 5.7525 5.8326 5.8421 6.0843 6.0988 6.1018 6.1712 6.1816 6.1925 6.2855 6.3192 6.3263 6.3628 6.3813 6.3952 6.4783 6.4825 6.5455 6.5725 6.5996 6.6204 6.7903 6.8116 6.9222 6.9360 6.9542 7.0743 7.2284 7.2747 7.2766 7.3268 7.4106 7.4359 7.8417 7.8473 8.1519 8.2144 8.2347 8.2545 9.2108 9.2524 9.6540 9.6618 10.3267 10.3664 10.5514 10.5962 10.6211 10.6448 11.0506 11.0894 11.4510 11.4734 11.4957 11.5843 11.7626 11.8100 12.1173 12.1574 k = 0.2614 0.2614 0.2614 ( 6481 PWs) bands (ev): -4.5384 -4.5383 -4.1281 -4.1279 -3.9795 -3.9792 -3.8640 -3.8639 -0.5019 -0.4994 -0.2601 -0.2562 0.1494 0.1540 0.2226 0.2226 3.6833 3.6835 3.7815 3.7854 3.8719 3.8945 4.2358 4.2431 4.3816 4.3955 4.4272 4.4299 4.6813 4.6950 4.6988 4.7073 4.8114 4.8169 5.1062 5.1252 5.1373 5.1376 5.5470 5.5513 5.7599 5.7808 5.8544 5.8602 6.0912 6.1047 6.1057 6.1764 6.1891 6.1987 6.2878 6.3304 6.3336 6.3658 6.3785 6.4002 6.4805 6.4828 6.5560 6.5899 6.6109 6.6200 6.7859 6.8150 6.9437 6.9496 6.9839 7.1125 7.2415 7.2562 7.2663 7.3439 7.4024 7.4311 7.8557 7.8639 8.1571 8.2179 8.2341 8.2554 9.2028 9.2414 9.7159 9.7180 10.3448 10.3856 10.5120 10.5350 10.5873 10.5884 11.0404 11.0793 11.4460 11.5009 11.5074 11.5520 11.7474 11.7999 12.0754 12.1115 k = 0.2727 0.2727 0.2727 ( 6472 PWs) bands (ev): -4.5092 -4.5090 -4.1322 -4.1320 -3.9830 -3.9827 -3.8706 -3.8705 -0.5137 -0.5114 -0.2909 -0.2875 0.1375 0.1417 0.1993 0.1995 3.6653 3.6663 3.7796 3.7840 3.8686 3.8923 4.2383 4.2433 4.3381 4.3501 4.4196 4.4234 4.6735 4.6889 4.6895 4.6984 4.8454 4.8528 5.1476 5.1688 5.1796 5.1824 5.5896 5.5961 5.7832 5.8106 5.8778 5.8797 6.0983 6.1057 6.1112 6.1809 6.1966 6.2062 6.2890 6.3344 6.3448 6.3689 6.3778 6.4040 6.4825 6.4836 6.5660 6.6073 6.6189 6.6192 6.7851 6.8207 6.9599 6.9611 7.0122 7.1457 7.2310 7.2327 7.2780 7.3660 7.3993 7.4271 7.8734 7.8836 8.1617 8.2204 8.2316 8.2549 9.1883 9.2238 9.7589 9.7648 10.3343 10.3757 10.4729 10.4884 10.5433 10.5524 11.0510 11.0933 11.4125 11.5198 11.5370 11.5417 11.7296 11.7882 12.0444 12.0737 k = 0.2841 0.2841 0.2841 ( 6463 PWs) bands (ev): -4.4798 -4.4796 -4.1356 -4.1354 -3.9863 -3.9860 -3.8777 -3.8776 -0.5241 -0.5220 -0.3203 -0.3173 0.1235 0.1273 0.1740 0.1744 3.6504 3.6520 3.7780 3.7828 3.8641 3.8883 4.2432 4.2479 4.2900 4.3024 4.4144 4.4186 4.6657 4.6805 4.6818 4.6898 4.8863 4.8949 5.1899 5.2128 5.2225 5.2278 5.6315 5.6408 5.8073 5.8415 5.9003 5.9026 6.1054 6.1055 6.1155 6.1850 6.2031 6.2139 6.2897 6.3385 6.3504 6.3722 6.3805 6.4058 6.4818 6.4877 6.5755 6.6173 6.6229 6.6237 6.7893 6.8290 6.9712 6.9714 7.0372 7.1711 7.2044 7.2109 7.3041 7.3870 7.4118 7.4257 7.8932 7.9047 8.1651 8.2217 8.2272 8.2529 9.1680 9.2005 9.7782 9.7936 10.2996 10.3371 10.4406 10.4669 10.5073 10.5135 11.0779 11.1244 11.3778 11.4883 11.5747 11.5760 11.7098 11.7743 12.0261 12.0467 k = 0.2955 0.2955 0.2955 ( 6475 PWs) bands (ev): -4.4503 -4.4501 -4.1383 -4.1381 -3.9895 -3.9892 -3.8854 -3.8853 -0.5328 -0.5310 -0.3480 -0.3454 0.1072 0.1107 0.1469 0.1474 3.6385 3.6408 3.7766 3.7817 3.8585 3.8827 4.2362 4.2404 4.2568 4.2691 4.4114 4.4157 4.6580 4.6718 4.6743 4.6814 4.9315 4.9408 5.2320 5.2563 5.2652 5.2732 5.6716 5.6844 5.8319 5.8731 5.9217 5.9282 6.1043 6.1130 6.1189 6.1887 6.2078 6.2196 6.2917 6.3426 6.3513 6.3757 6.3855 6.4054 6.4808 6.4923 6.5837 6.6154 6.6206 6.6378 6.7993 6.8394 6.9804 6.9807 7.0560 7.1816 7.1863 7.1885 7.3358 7.4045 7.4282 7.4449 7.9139 7.9262 8.1674 8.2209 8.2219 8.2495 9.1429 9.1726 9.7720 9.7966 10.2474 10.2776 10.4108 10.4676 10.4735 10.4870 11.1136 11.1636 11.3440 11.4581 11.6062 11.6159 11.6892 11.7577 12.0209 12.0317 k = 0.3068 0.3068 0.3068 ( 6463 PWs) bands (ev): -4.4209 -4.4208 -4.1402 -4.1401 -3.9926 -3.9924 -3.8936 -3.8935 -0.5400 -0.5384 -0.3739 -0.3716 0.0886 0.0918 0.1182 0.1189 3.6300 3.6328 3.7753 3.7805 3.8520 3.8757 4.1910 4.1935 4.2695 4.2756 4.4108 4.4150 4.6505 4.6636 4.6667 4.6733 4.9792 4.9889 5.2734 5.2989 5.3071 5.3178 5.7093 5.7263 5.8568 5.9049 5.9438 5.9541 6.1029 6.1207 6.1219 6.1923 6.2094 6.2207 6.2972 6.3469 6.3504 6.3794 6.3904 6.4035 6.4800 6.4970 6.5896 6.6118 6.6132 6.6488 6.8142 6.8502 6.9884 6.9911 7.0635 7.1708 7.1716 7.1922 7.3713 7.4293 7.4359 7.4867 7.9346 7.9473 8.1685 8.2129 8.2209 8.2448 9.1140 9.1413 9.7417 9.7727 10.1836 10.2067 10.3671 10.4124 10.4971 10.5028 11.1519 11.2030 11.3113 11.4304 11.6333 11.6569 11.6721 11.7384 12.0269 12.0286 k = 0.3182 0.3182 0.3182 ( 6454 PWs) bands (ev): -4.3918 -4.3917 -4.1414 -4.1413 -3.9957 -3.9954 -3.9023 -3.9022 -0.5456 -0.5442 -0.3977 -0.3957 0.0677 0.0707 0.0883 0.0891 3.6248 3.6281 3.7740 3.7794 3.8448 3.8677 4.1430 4.1459 4.2858 4.2915 4.4125 4.4165 4.6434 4.6558 4.6593 4.6655 5.0285 5.0383 5.3135 5.3399 5.3478 5.3611 5.7435 5.7656 5.8818 5.9363 5.9660 5.9797 6.1012 6.1249 6.1286 6.1957 6.2070 6.2156 6.3070 6.3497 6.3513 6.3834 6.3943 6.4009 6.4793 6.5013 6.5916 6.5969 6.6106 6.6563 6.8312 6.8577 6.9942 7.0057 7.0583 7.1669 7.1784 7.1929 7.4094 7.4492 7.4618 7.5324 7.9549 7.9678 8.1684 8.2035 8.2191 8.2390 9.0825 9.1079 9.6922 9.7267 10.1124 10.1292 10.3077 10.3469 10.5326 10.5481 11.1880 11.2361 11.2802 11.4072 11.6322 11.6843 11.6996 11.7162 12.0356 12.0415 k = 0.3295 0.3295 0.3295 ( 6437 PWs) bands (ev): -4.3631 -4.3630 -4.1419 -4.1418 -3.9986 -3.9984 -3.9115 -3.9114 -0.5495 -0.5483 -0.4192 -0.4175 0.0445 0.0474 0.0572 0.0583 3.6228 3.6265 3.7726 3.7781 3.8371 3.8589 4.0968 4.0995 4.3050 4.3111 4.4168 4.4203 4.6366 4.6484 4.6521 4.6580 5.0786 5.0885 5.3518 5.3789 5.3869 5.4027 5.7735 5.8015 5.9063 5.9664 5.9880 6.0039 6.0995 6.1278 6.1366 6.1990 6.2004 6.2051 6.3200 6.3504 6.3557 6.3874 6.3975 6.3988 6.4782 6.5050 6.5772 6.5880 6.6068 6.6602 6.8436 6.8572 7.0001 7.0268 7.0506 7.1795 7.1935 7.2016 7.4489 7.4676 7.4994 7.5798 7.9747 7.9874 8.1674 8.1929 8.2166 8.2324 9.0495 9.0734 9.6295 9.6651 10.0360 10.0476 10.2362 10.2711 10.5825 10.6029 11.2193 11.2508 11.2572 11.3916 11.6101 11.6912 11.7194 11.7446 12.0502 12.0616 k = 0.3409 0.3409 0.3409 ( 6437 PWs) bands (ev): -4.3350 -4.3348 -4.1416 -4.1415 -4.0015 -4.0013 -3.9210 -3.9209 -0.5518 -0.5507 -0.4382 -0.4368 0.0192 0.0221 0.0253 0.0267 3.6240 3.6280 3.7711 3.7766 3.8290 3.8496 4.0531 4.0555 4.3267 4.3333 4.4235 4.4265 4.6301 4.6414 4.6453 4.6509 5.1291 5.1388 5.3879 5.4156 5.4240 5.4424 5.7985 5.8329 5.9302 5.9945 6.0092 6.0256 6.0978 6.1304 6.1446 6.1908 6.1917 6.2023 6.3340 6.3524 6.3596 6.3913 6.3983 6.4009 6.4754 6.5082 6.5552 6.5782 6.6008 6.6606 6.8426 6.8444 7.0155 7.0514 7.0551 7.1987 7.2093 7.2359 7.4890 7.4901 7.5393 7.6274 7.9940 8.0061 8.1658 8.1816 8.2139 8.2254 9.0157 9.0385 9.5580 9.5933 9.9561 9.9633 10.1546 10.1860 10.6392 10.6622 11.2232 11.2444 11.2622 11.3865 11.5840 11.6634 11.7605 11.7919 12.0694 12.0847 k = 0.3523 0.3523 0.3523 ( 6452 PWs) bands (ev): -4.3076 -4.3074 -4.1405 -4.1404 -4.0044 -4.0042 -3.9308 -3.9307 -0.5522 -0.5513 -0.4546 -0.4534 -0.0087 -0.0072 -0.0051 -0.0048 3.6280 3.6322 3.7694 3.7749 3.8208 3.8401 4.0121 4.0141 4.3503 4.3574 4.4325 4.4348 4.6241 4.6348 4.6388 4.6441 5.1796 5.1890 5.4217 5.4496 5.4589 5.4798 5.8174 5.8583 5.9528 6.0199 6.0292 6.0428 6.0972 6.1308 6.1525 6.1794 6.1808 6.2056 6.3472 6.3549 6.3624 6.3947 6.4003 6.4050 6.4681 6.5110 6.5351 6.5638 6.5915 6.6569 6.8196 6.8246 7.0467 7.0648 7.0900 7.2121 7.2526 7.2798 7.5153 7.5285 7.5798 7.6737 8.0129 8.0240 8.1641 8.1701 8.2114 8.2186 8.9820 9.0040 9.4809 9.5149 9.8734 9.8771 10.0648 10.0930 10.6980 10.7222 11.1978 11.2537 11.2628 11.3894 11.5554 11.6333 11.8049 11.8409 12.0907 12.1086 k = 0.3636 0.3636 0.3636 ( 6458 PWs) bands (ev): -4.2810 -4.2809 -4.1387 -4.1386 -4.0073 -4.0071 -3.9410 -3.9409 -0.5510 -0.5502 -0.4683 -0.4672 -0.0400 -0.0400 -0.0351 -0.0339 3.6346 3.6389 3.7675 3.7729 3.8125 3.8305 3.9739 3.9756 4.3753 4.3829 4.4438 4.4453 4.6185 4.6287 4.6327 4.6378 5.2297 5.2389 5.4532 5.4811 5.4917 5.5150 5.8296 5.8757 5.9740 6.0420 6.0476 6.0530 6.0994 6.1254 6.1604 6.1736 6.1738 6.2090 6.3569 6.3578 6.3628 6.3975 6.4056 6.4091 6.4537 6.5136 6.5224 6.5477 6.5784 6.6487 6.7864 6.7949 7.0901 7.0915 7.1306 7.2362 7.3059 7.3325 7.5418 7.5667 7.6196 7.7173 8.0314 8.0410 8.1592 8.1626 8.2098 8.2127 8.9490 8.9703 9.4003 9.4325 9.7887 9.7897 9.9682 9.9936 10.7558 10.7807 11.1746 11.2383 11.2745 11.3941 11.5249 11.6012 11.8511 11.8903 12.1118 12.1319 k = 0.3750 0.3750 0.3750 ( 6446 PWs) bands (ev): -4.2554 -4.2553 -4.1362 -4.1361 -4.0102 -4.0101 -3.9513 -3.9512 -0.5479 -0.5473 -0.4790 -0.4782 -0.0731 -0.0726 -0.0654 -0.0641 3.6435 3.6479 3.7654 3.7708 3.8045 3.8212 3.9388 3.9403 4.4011 4.4092 4.4570 4.4577 4.6135 4.6230 4.6271 4.6319 5.2794 5.2880 5.4824 5.5100 5.5223 5.5479 5.8343 5.8832 5.9931 6.0560 6.0602 6.0638 6.1053 6.1149 6.1681 6.1713 6.1762 6.2125 6.3563 6.3588 6.3655 6.3996 6.4078 6.4136 6.4396 6.5161 6.5176 6.5334 6.5617 6.6358 6.7487 6.7592 7.1257 7.1455 7.1756 7.2716 7.3665 7.3927 7.5684 7.6029 7.6578 7.7567 8.0497 8.0569 8.1497 8.1616 8.2090 8.2097 8.9170 8.9379 9.3177 9.3478 9.7013 9.7024 9.8665 9.8894 10.8106 10.8360 11.1540 11.2207 11.2801 11.3966 11.4927 11.5676 11.8975 11.9389 12.1310 12.1534 k = 0.3864 0.3864 0.3864 ( 6458 PWs) bands (ev): -4.2310 -4.2309 -4.1329 -4.1329 -4.0132 -4.0131 -3.9619 -3.9618 -0.5430 -0.5425 -0.4868 -0.4861 -0.1060 -0.1055 -0.0967 -0.0954 3.6543 3.6586 3.7631 3.7685 3.7967 3.8122 3.9066 3.9080 4.4271 4.4358 4.4715 4.4719 4.6089 4.6177 4.6219 4.6264 5.3282 5.3363 5.5095 5.5366 5.5507 5.5785 5.8313 5.8796 6.0098 6.0560 6.0730 6.0775 6.1051 6.1127 6.1738 6.1756 6.1827 6.2160 6.3484 6.3494 6.3703 6.3945 6.4013 6.4225 6.4398 6.5173 6.5176 6.5236 6.5431 6.6193 6.7091 6.7210 7.1703 7.2057 7.2248 7.3170 7.4321 7.4593 7.5941 7.6368 7.6936 7.7908 8.0679 8.0707 8.1431 8.1609 8.2090 8.2118 8.8866 8.9070 9.2342 9.2620 9.6123 9.6148 9.7612 9.7820 10.8612 10.8870 11.1362 11.2035 11.2803 11.3954 11.4592 11.5332 11.9426 11.9853 12.1468 12.1723 k = 0.3977 0.3977 0.3977 ( 6455 PWs) bands (ev): -4.2078 -4.2077 -4.1289 -4.1289 -4.0164 -4.0163 -3.9725 -3.9725 -0.5364 -0.5360 -0.4916 -0.4909 -0.1388 -0.1382 -0.1286 -0.1274 3.6665 3.6707 3.7608 3.7661 3.7892 3.8037 3.8776 3.8789 4.4528 4.4622 4.4865 4.4879 4.6048 4.6130 4.6173 4.6214 5.3760 5.3833 5.5346 5.5610 5.5770 5.6069 5.8214 5.8662 6.0236 6.0560 6.0769 6.0883 6.1030 6.1189 6.1793 6.1829 6.1902 6.2195 6.3321 6.3323 6.3725 6.3827 6.4020 6.4300 6.4477 6.5133 6.5192 6.5195 6.5301 6.6011 6.6700 6.6831 7.2225 7.2701 7.2781 7.3700 7.5001 7.5303 7.6184 7.6689 7.7267 7.8186 8.0814 8.0861 8.1411 8.1598 8.2143 8.2165 8.8580 8.8778 9.1510 9.1763 9.5232 9.5263 9.6535 9.6724 10.9071 10.9333 11.1213 11.1878 11.2760 11.3904 11.4248 11.4986 11.9851 12.0286 12.1583 12.1883 k = 0.4091 0.4091 0.4091 ( 6485 PWs) bands (ev): -4.1860 -4.1859 -4.1243 -4.1243 -4.0197 -4.0197 -3.9833 -3.9833 -0.5279 -0.5276 -0.4932 -0.4926 -0.1711 -0.1705 -0.1611 -0.1600 3.6797 3.6835 3.7585 3.7638 3.7823 3.7956 3.8517 3.8530 4.4775 4.4877 4.5021 4.5047 4.6012 4.6086 4.6131 4.6168 5.4222 5.4287 5.5581 5.5835 5.6012 5.6328 5.8061 5.8462 6.0341 6.0567 6.0731 6.0961 6.1077 6.1222 6.1862 6.1898 6.1971 6.2228 6.3099 6.3123 6.3715 6.3750 6.4003 6.4323 6.4574 6.5000 6.5193 6.5229 6.5295 6.5834 6.6336 6.6474 7.2808 7.3351 7.3366 7.4276 7.5660 7.6011 7.6443 7.7020 7.7568 7.8400 8.0880 8.1044 8.1451 8.1583 8.2239 8.2252 8.8316 8.8506 9.0694 9.0921 9.4341 9.4373 9.5447 9.5621 10.9480 10.9747 11.1096 11.1744 11.2680 11.3819 11.3900 11.4643 12.0239 12.0678 12.1652 12.2010 k = 0.4205 0.4205 0.4205 ( 6479 PWs) bands (ev): -4.1656 -4.1656 -4.1190 -4.1190 -4.0234 -4.0233 -3.9941 -3.9940 -0.5176 -0.5174 -0.4916 -0.4912 -0.2028 -0.2022 -0.1936 -0.1926 3.6931 3.6966 3.7563 3.7616 3.7759 3.7883 3.8289 3.8302 4.5008 4.5117 4.5178 4.5217 4.5982 4.6048 4.6094 4.6128 5.4664 5.4719 5.5804 5.6045 5.6234 5.6564 5.7874 5.8230 6.0412 6.0575 6.0684 6.1009 6.1122 6.1209 6.1932 6.1960 6.2028 6.2255 6.2898 6.2925 6.3661 6.3671 6.3950 6.4256 6.4672 6.4917 6.5225 6.5271 6.5323 6.5688 6.6022 6.6162 7.3437 7.3948 7.4036 7.4867 7.6215 7.6443 7.6973 7.7430 7.7843 7.8558 8.0916 8.1226 8.1539 8.1566 8.2335 8.2401 8.8079 8.8258 8.9911 9.0110 9.3458 9.3484 9.4361 9.4520 10.9840 11.0112 11.1013 11.1637 11.2571 11.3551 11.3705 11.4309 12.0583 12.1022 12.1682 12.2108 k = 0.4318 0.4318 0.4318 ( 6482 PWs) bands (ev): -4.1468 -4.1467 -4.1130 -4.1130 -4.0274 -4.0274 -4.0048 -4.0048 -0.5054 -0.5054 -0.4870 -0.4865 -0.2338 -0.2332 -0.2259 -0.2250 3.7064 3.7094 3.7544 3.7597 3.7701 3.7816 3.8092 3.8107 4.5220 4.5330 4.5337 4.5384 4.5958 4.6016 4.6063 4.6092 5.5076 5.5120 5.6019 5.6242 5.6436 5.6772 5.7676 5.7993 6.0450 6.0580 6.0646 6.1027 6.1137 6.1138 6.1995 6.2013 6.2068 6.2265 6.2760 6.2764 6.3559 6.3565 6.3851 6.4101 6.4763 6.4906 6.5273 6.5318 6.5358 6.5588 6.5781 6.5910 7.4091 7.4556 7.4690 7.5442 7.6580 7.6617 7.7742 7.7992 7.8101 7.8678 8.0947 8.1404 8.1550 8.1650 8.2441 8.2562 8.7875 8.8039 8.9186 8.9356 9.2587 9.2602 9.3288 9.3435 11.0157 11.0432 11.0966 11.1559 11.2441 11.3206 11.3570 11.3990 12.0877 12.1305 12.1694 12.2180 k = 0.4432 0.4432 0.4432 ( 6476 PWs) bands (ev): -4.1295 -4.1294 -4.1065 -4.1065 -4.0319 -4.0319 -4.0155 -4.0155 -0.4916 -0.4915 -0.4792 -0.4788 -0.2639 -0.2633 -0.2576 -0.2568 3.7188 3.7212 3.7527 3.7581 3.7650 3.7757 3.7926 3.7944 4.5405 4.5470 4.5532 4.5542 4.5941 4.5991 4.6037 4.6061 5.5445 5.5479 5.6232 5.6428 5.6618 5.6947 5.7485 5.7773 6.0461 6.0581 6.0619 6.1014 6.1017 6.1113 6.2045 6.2053 6.2091 6.2244 6.2676 6.2692 6.3423 6.3431 6.3712 6.3900 6.4837 6.4921 6.5327 6.5366 6.5394 6.5535 6.5627 6.5728 7.4749 7.5149 7.5306 7.5968 7.6730 7.6781 7.8353 7.8536 7.8670 7.8785 8.0994 8.1537 8.1574 8.1761 8.2536 8.2697 8.7714 8.7857 8.8554 8.8692 9.1736 9.1738 9.2243 9.2378 11.0434 11.0709 11.0958 11.1510 11.2297 11.2870 11.3420 11.3693 12.1115 12.1486 12.1745 12.2231 k = 0.4545 0.4545 0.4545 ( 6470 PWs) bands (ev): -4.1138 -4.1137 -4.0993 -4.0993 -4.0370 -4.0370 -4.0260 -4.0260 -0.4760 -0.4758 -0.4683 -0.4680 -0.2929 -0.2924 -0.2884 -0.2878 3.7297 3.7313 3.7516 3.7569 3.7608 3.7706 3.7792 3.7813 4.5558 4.5592 4.5684 4.5697 4.5932 4.5974 4.6016 4.6036 5.5754 5.5778 5.6449 5.6602 5.6782 5.7083 5.7322 5.7583 6.0458 6.0575 6.0599 6.0878 6.0968 6.1045 6.2076 6.2080 6.2098 6.2194 6.2666 6.2683 6.3279 6.3283 6.3550 6.3679 6.4891 6.4934 6.5380 6.5413 6.5430 6.5519 6.5552 6.5615 7.5382 7.5696 7.5860 7.6406 7.6808 7.6886 7.8617 7.8906 7.9311 7.9378 8.1069 8.1527 8.1726 8.1856 8.2586 8.2756 8.7609 8.7723 8.8067 8.8168 9.0898 9.0919 9.1243 9.1367 11.0679 11.0946 11.0988 11.1488 11.2142 11.2548 11.3266 11.3424 12.1295 12.1530 12.1884 12.2267 k = 0.4659 0.4659 0.4659 ( 6470 PWs) bands (ev): -4.0996 -4.0995 -4.0916 -4.0916 -4.0428 -4.0428 -4.0363 -4.0363 -0.4586 -0.4584 -0.4545 -0.4542 -0.3208 -0.3203 -0.3180 -0.3174 3.7381 3.7389 3.7515 3.7562 3.7578 3.7662 3.7691 3.7714 4.5672 4.5686 4.5804 4.5826 4.5936 4.5967 4.6000 4.6015 5.5984 5.6000 5.6668 5.6765 5.6928 5.7174 5.7201 5.7431 6.0457 6.0563 6.0588 6.0755 6.0894 6.0940 6.2086 6.2093 6.2094 6.2146 6.2707 6.2715 6.3145 6.3152 6.3383 6.3462 6.4924 6.4941 6.5429 6.5454 6.5463 6.5521 6.5526 6.5557 7.5957 7.6166 7.6325 7.6725 7.6862 7.6939 7.8896 7.9057 8.0025 8.0050 8.1188 8.1530 8.1848 8.1921 8.2551 8.2694 8.7580 8.7650 8.7781 8.7849 9.0104 9.0145 9.0312 9.0422 11.0898 11.1059 11.1144 11.1488 11.1982 11.2244 11.3117 11.3193 12.1417 12.1526 12.2032 12.2292 k = 0.4773 0.4773 0.4773 ( 6482 PWs) bands (ev): -4.0869 -4.0869 -4.0834 -4.0834 -4.0494 -4.0494 -4.0464 -4.0464 -0.4396 -0.4393 -0.4378 -0.4375 -0.3475 -0.3470 -0.3461 -0.3456 3.7425 3.7428 3.7532 3.7561 3.7569 3.7622 3.7627 3.7644 4.5742 4.5747 4.5897 4.5918 4.5952 4.5971 4.5989 4.5999 5.6132 5.6139 5.6871 5.6913 5.7048 5.7137 5.7213 5.7315 6.0476 6.0549 6.0583 6.0670 6.0799 6.0813 6.2079 6.2080 6.2098 6.2114 6.2775 6.2776 6.3040 6.3054 6.3226 6.3264 6.4939 6.4944 6.5470 6.5487 6.5491 6.5523 6.5528 6.5534 7.6431 7.6530 7.6672 7.6899 7.6911 7.6960 7.9168 7.9231 8.0626 8.0626 8.1370 8.1568 8.1922 8.1944 8.2410 8.2498 8.7651 8.7664 8.7730 8.7784 8.9377 8.9431 8.9477 8.9569 11.1097 11.1171 11.1303 11.1500 11.1818 11.1963 11.2987 11.3013 12.1485 12.1519 12.2150 12.2304 k = 0.4886 0.4886 0.4886 ( 6488 PWs) bands (ev): -4.0756 -4.0756 -4.0748 -4.0748 -4.0570 -4.0570 -4.0562 -4.0562 -0.4189 -0.4186 -0.4184 -0.4181 -0.3728 -0.3724 -0.3723 -0.3719 3.7435 3.7436 3.7560 3.7567 3.7576 3.7587 3.7599 3.7601 4.5775 4.5776 4.5959 4.5971 4.5972 4.5981 4.5984 4.5989 5.6208 5.6209 5.7032 5.7041 5.7123 5.7126 5.7200 5.7223 6.0523 6.0552 6.0586 6.0623 6.0691 6.0695 6.2067 6.2067 6.2097 6.2099 6.2859 6.2861 6.2979 6.2991 6.3086 6.3098 6.4946 6.4946 6.5502 6.5510 6.5511 6.5525 6.5527 6.5530 7.6763 7.6783 7.6873 7.6922 7.6964 7.6973 7.9373 7.9383 8.1041 8.1044 8.1623 8.1684 8.1925 8.1931 8.2179 8.2207 8.7846 8.7855 8.7910 8.7936 8.8745 8.8774 8.8801 8.8840 11.1285 11.1318 11.1417 11.1506 11.1651 11.1708 11.2895 11.2898 12.1512 12.1517 12.2234 12.2274 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -4.0657 -4.0657 -4.0657 -4.0657 -4.0657 -4.0657 -4.0657 -4.0657 -0.3966 -0.3966 -0.3966 -0.3966 -0.3966 -0.3966 -0.3958 -0.3958 3.7435 3.7435 3.7579 3.7579 3.7579 3.7579 3.7579 3.7579 4.5784 4.5784 4.5984 4.5984 4.5984 4.5984 4.5984 4.5984 5.6230 5.6230 5.7140 5.7140 5.7140 5.7140 5.7140 5.7140 6.0599 6.0599 6.0599 6.0599 6.0599 6.0599 6.2062 6.2062 6.2096 6.2096 6.2964 6.2964 6.2964 6.2964 6.2964 6.2964 6.4947 6.4947 6.5522 6.5522 6.5522 6.5522 6.5522 6.5522 7.6929 7.6929 7.6929 7.6929 7.6929 7.6929 7.9448 7.9448 8.1204 8.1204 8.1907 8.1907 8.1907 8.1907 8.1907 8.1907 8.8173 8.8173 8.8281 8.8281 8.8281 8.8281 8.8281 8.8281 11.1483 11.1483 11.1483 11.1483 11.1483 11.1483 11.2859 11.2859 12.1518 12.1518 12.2285 12.2285 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -4.0657 -4.0657 -4.0657 -4.0657 -4.0657 -4.0657 -4.0657 -4.0657 -0.3966 -0.3966 -0.3966 -0.3966 -0.3966 -0.3966 -0.3958 -0.3958 3.7435 3.7435 3.7579 3.7579 3.7579 3.7579 3.7579 3.7579 4.5784 4.5784 4.5984 4.5984 4.5984 4.5984 4.5984 4.5984 5.6230 5.6230 5.7140 5.7140 5.7140 5.7140 5.7140 5.7140 6.0599 6.0599 6.0599 6.0599 6.0599 6.0599 6.2062 6.2062 6.2096 6.2096 6.2964 6.2964 6.2964 6.2964 6.2964 6.2964 6.4947 6.4947 6.5522 6.5522 6.5522 6.5522 6.5522 6.5522 7.6929 7.6929 7.6929 7.6929 7.6929 7.6929 7.9448 7.9448 8.1204 8.1204 8.1907 8.1907 8.1907 8.1907 8.1907 8.1907 8.8173 8.8173 8.8281 8.8281 8.8281 8.8281 8.8281 8.8281 11.1483 11.1483 11.1483 11.1483 11.1483 11.1483 11.2859 11.2859 12.1518 12.1518 12.2285 12.2285 k = 0.4861 0.5000 0.4861 ( 6488 PWs) bands (ev): -4.0752 -4.0752 -4.0751 -4.0751 -4.0567 -4.0567 -4.0566 -4.0566 -0.4186 -0.4186 -0.4183 -0.4183 -0.3726 -0.3726 -0.3722 -0.3722 3.7436 3.7436 3.7563 3.7563 3.7582 3.7582 3.7600 3.7600 4.5776 4.5776 4.5964 4.5964 4.5979 4.5979 4.5985 4.5985 5.6209 5.6209 5.7037 5.7037 5.7124 5.7124 5.7211 5.7211 6.0532 6.0533 6.0611 6.0611 6.0692 6.0692 6.2067 6.2067 6.2099 6.2099 6.2861 6.2861 6.2983 6.2983 6.3092 6.3093 6.4946 6.4946 6.5504 6.5504 6.5519 6.5519 6.5529 6.5529 7.6777 7.6777 7.6892 7.6892 7.6971 7.6971 7.9377 7.9377 8.1051 8.1051 8.1634 8.1634 8.1954 8.1954 8.2180 8.2180 8.7852 8.7852 8.7925 8.7925 8.8755 8.8756 8.8819 8.8819 11.1298 11.1298 11.1462 11.1462 11.1683 11.1683 11.2896 11.2896 12.1515 12.1515 12.2250 12.2250 k = 0.4722 0.5000 0.4722 ( 6484 PWs) bands (ev): -4.0852 -4.0852 -4.0851 -4.0851 -4.0480 -4.0480 -4.0478 -4.0478 -0.4387 -0.4387 -0.4383 -0.4383 -0.3469 -0.3469 -0.3464 -0.3464 3.7431 3.7431 3.7539 3.7539 3.7597 3.7597 3.7636 3.7636 4.5746 4.5746 4.5911 4.5911 4.5962 4.5962 4.5989 4.5989 5.6140 5.6140 5.6895 5.6895 5.7088 5.7088 5.7261 5.7261 6.0496 6.0496 6.0648 6.0648 6.0802 6.0802 6.2071 6.2071 6.2114 6.2114 6.2779 6.2779 6.3041 6.3041 6.3247 6.3247 6.4942 6.4942 6.5476 6.5476 6.5509 6.5509 6.5531 6.5531 7.6489 7.6489 7.6762 7.6762 7.6950 7.6950 7.9179 7.9179 8.0715 8.0715 8.1353 8.1353 8.2024 8.2024 8.2411 8.2411 8.7670 8.7671 8.7766 8.7766 8.9401 8.9401 8.9503 8.9503 11.1126 11.1126 11.1404 11.1404 11.1895 11.1895 11.2999 11.2999 12.1503 12.1503 12.2206 12.2206 k = 0.4583 0.5000 0.4583 ( 6464 PWs) bands (ev): -4.0957 -4.0957 -4.0955 -4.0955 -4.0397 -4.0397 -4.0394 -4.0394 -0.4566 -0.4566 -0.4563 -0.4563 -0.3195 -0.3195 -0.3189 -0.3189 3.7411 3.7411 3.7504 3.7504 3.7636 3.7636 3.7693 3.7693 4.5687 4.5687 4.5827 4.5827 4.5945 4.5945 4.5995 4.5995 5.6013 5.6013 5.6707 5.6707 5.7055 5.7055 5.7298 5.7298 6.0484 6.0484 6.0708 6.0708 6.0916 6.0916 6.2063 6.2063 6.2144 6.2144 6.2719 6.2720 6.3138 6.3138 6.3426 6.3426 6.4935 6.4935 6.5439 6.5439 6.5495 6.5495 6.5537 6.5538 7.6068 7.6068 7.6515 7.6515 7.6892 7.6892 7.8891 7.8891 8.0330 8.0330 8.1039 8.1039 8.2064 8.2064 8.2567 8.2567 8.7683 8.7683 8.7804 8.7804 9.0144 9.0144 9.0289 9.0289 11.0966 11.0966 11.1323 11.1323 11.2119 11.2119 11.3151 11.3151 12.1478 12.1478 12.2143 12.2143 k = 0.4444 0.5000 0.4444 ( 6476 PWs) bands (ev): -4.1068 -4.1068 -4.1065 -4.1065 -4.0316 -4.0316 -4.0311 -4.0311 -0.4724 -0.4724 -0.4720 -0.4720 -0.2907 -0.2907 -0.2900 -0.2900 3.7372 3.7372 3.7457 3.7457 3.7703 3.7703 3.7771 3.7771 4.5591 4.5591 4.5712 4.5712 4.5936 4.5936 4.6003 4.6003 5.5824 5.5824 5.6476 5.6476 5.7043 5.7043 5.7324 5.7324 6.0483 6.0484 6.0783 6.0783 6.1020 6.1020 6.2043 6.2043 6.2179 6.2179 6.2683 6.2683 6.3267 6.3268 6.3620 6.3621 6.4917 6.4917 6.5398 6.5398 6.5483 6.5484 6.5563 6.5563 7.5535 7.5535 7.6139 7.6139 7.6800 7.6800 7.8548 7.8548 7.9955 7.9955 8.0691 8.0691 8.2072 8.2072 8.2646 8.2646 8.7872 8.7872 8.8015 8.8015 9.0959 9.0959 9.1146 9.1146 11.0815 11.0815 11.1229 11.1229 11.2350 11.2350 11.3333 11.3333 12.1433 12.1433 12.2059 12.2059 k = 0.4306 0.5000 0.4306 ( 6480 PWs) bands (ev): -4.1184 -4.1184 -4.1180 -4.1180 -4.0237 -4.0237 -4.0231 -4.0231 -0.4860 -0.4860 -0.4854 -0.4854 -0.2607 -0.2606 -0.2598 -0.2598 3.7318 3.7318 3.7399 3.7399 3.7796 3.7796 3.7871 3.7871 4.5462 4.5462 4.5569 4.5569 4.5936 4.5936 4.6014 4.6014 5.5584 5.5584 5.6209 5.6209 5.7049 5.7049 5.7341 5.7341 6.0481 6.0481 6.0861 6.0862 6.1110 6.1110 6.2008 6.2008 6.2219 6.2219 6.2677 6.2677 6.3415 6.3415 6.3817 6.3817 6.4884 6.4884 6.5353 6.5353 6.5491 6.5491 6.5629 6.5630 7.4916 7.4916 7.5645 7.5645 7.6672 7.6672 7.8170 7.8170 7.9617 7.9617 8.0324 8.0324 8.2061 8.2061 8.2666 8.2666 8.8200 8.8201 8.8361 8.8361 9.1823 9.1823 9.2050 9.2050 11.0669 11.0669 11.1129 11.1129 11.2584 11.2584 11.3532 11.3532 12.1367 12.1367 12.1953 12.1953 k = 0.4167 0.5000 0.4167 ( 6478 PWs) bands (ev): -4.1306 -4.1306 -4.1301 -4.1301 -4.0159 -4.0159 -4.0152 -4.0152 -0.4973 -0.4973 -0.4966 -0.4966 -0.2295 -0.2295 -0.2285 -0.2285 3.7253 3.7253 3.7333 3.7333 3.7911 3.7911 3.7991 3.7991 4.5306 4.5306 4.5403 4.5403 4.5942 4.5942 4.6029 4.6029 5.5310 5.5310 5.5916 5.5916 5.7064 5.7064 5.7347 5.7347 6.0461 6.0461 6.0918 6.0919 6.1186 6.1186 6.1960 6.1960 6.2267 6.2267 6.2707 6.2707 6.3554 6.3554 6.3998 6.3998 6.4833 6.4833 6.5306 6.5306 6.5535 6.5535 6.5760 6.5761 7.4240 7.4240 7.5059 7.5059 7.6503 7.6503 7.7764 7.7764 7.9321 7.9321 7.9956 7.9956 8.2044 8.2044 8.2656 8.2656 8.8631 8.8631 8.8803 8.8803 9.2718 9.2719 9.2983 9.2983 11.0521 11.0521 11.1024 11.1024 11.2817 11.2817 11.3735 11.3735 12.1281 12.1281 12.1828 12.1828 k = 0.4028 0.5000 0.4028 ( 6470 PWs) bands (ev): -4.1433 -4.1433 -4.1428 -4.1428 -4.0082 -4.0082 -4.0074 -4.0074 -0.5063 -0.5063 -0.5054 -0.5054 -0.1976 -0.1976 -0.1964 -0.1964 3.7181 3.7181 3.7260 3.7260 3.8048 3.8048 3.8133 3.8133 4.5128 4.5128 4.5217 4.5217 4.5954 4.5954 4.6047 4.6047 5.5015 5.5015 5.5605 5.5605 5.7078 5.7078 5.7342 5.7342 6.0409 6.0409 6.0932 6.0932 6.1245 6.1245 6.1903 6.1903 6.2332 6.2332 6.2777 6.2777 6.3658 6.3658 6.4148 6.4148 6.4773 6.4773 6.5261 6.5261 6.5633 6.5633 6.5964 6.5965 7.3530 7.3530 7.4417 7.4417 7.6295 7.6295 7.7337 7.7337 7.9059 7.9059 7.9601 7.9601 8.2031 8.2031 8.2636 8.2636 8.9131 8.9131 8.9310 8.9310 9.3631 9.3631 9.3931 9.3931 11.0365 11.0365 11.0913 11.0913 11.3041 11.3041 11.3931 11.3931 12.1178 12.1178 12.1688 12.1688 k = 0.3889 0.5000 0.3889 ( 6470 PWs) bands (ev): -4.1566 -4.1566 -4.1561 -4.1561 -4.0005 -4.0005 -3.9996 -3.9996 -0.5131 -0.5131 -0.5120 -0.5120 -0.1650 -0.1650 -0.1636 -0.1636 3.7104 3.7104 3.7184 3.7184 3.8206 3.8206 3.8296 3.8296 4.4931 4.4931 4.5014 4.5014 4.5970 4.5970 4.6068 4.6068 5.4709 5.4709 5.5284 5.5284 5.7083 5.7083 5.7323 5.7323 6.0313 6.0313 6.0892 6.0892 6.1272 6.1272 6.1840 6.1840 6.2420 6.2420 6.2881 6.2881 6.3707 6.3707 6.4258 6.4258 6.4722 6.4722 6.5224 6.5225 6.5798 6.5798 6.6232 6.6232 7.2809 7.2809 7.3751 7.3751 7.6053 7.6053 7.6898 7.6898 7.8814 7.8814 7.9262 7.9262 8.2029 8.2029 8.2623 8.2623 8.9674 8.9674 8.9857 8.9857 9.4549 9.4549 9.4882 9.4882 11.0192 11.0192 11.0791 11.0791 11.3251 11.3251 11.4113 11.4113 12.1065 12.1065 12.1541 12.1541 k = 0.3750 0.5000 0.3750 ( 6486 PWs) bands (ev): -4.1704 -4.1704 -4.1699 -4.1699 -3.9929 -3.9929 -3.9918 -3.9918 -0.5176 -0.5176 -0.5163 -0.5163 -0.1321 -0.1321 -0.1304 -0.1304 3.7026 3.7026 3.7107 3.7107 3.8383 3.8383 3.8477 3.8477 4.4718 4.4718 4.4798 4.4798 4.5990 4.5990 4.6094 4.6094 5.4400 5.4400 5.4960 5.4960 5.7073 5.7073 5.7290 5.7290 6.0166 6.0166 6.0795 6.0795 6.1258 6.1258 6.1772 6.1772 6.2529 6.2529 6.3004 6.3004 6.3698 6.3698 6.4331 6.4331 6.4700 6.4700 6.5207 6.5208 6.6026 6.6026 6.6544 6.6544 7.2098 7.2098 7.3090 7.3090 7.5787 7.5787 7.6461 7.6461 7.8574 7.8574 7.8938 7.8938 8.2041 8.2041 8.2626 8.2626 9.0243 9.0243 9.0428 9.0428 9.5462 9.5462 9.5827 9.5827 10.9994 10.9994 11.0652 11.0652 11.3440 11.3440 11.4274 11.4274 12.0947 12.0947 12.1396 12.1397 k = 0.3611 0.5000 0.3611 ( 6466 PWs) bands (ev): -4.1847 -4.1846 -4.1841 -4.1841 -3.9852 -3.9852 -3.9840 -3.9840 -0.5200 -0.5200 -0.5184 -0.5184 -0.0991 -0.0991 -0.0971 -0.0971 3.6950 3.6950 3.7032 3.7032 3.8579 3.8579 3.8677 3.8677 4.4495 4.4495 4.4571 4.4571 4.6014 4.6014 4.6123 4.6123 5.4095 5.4095 5.4636 5.4636 5.7045 5.7045 5.7244 5.7244 5.9967 5.9967 6.0640 6.0641 6.1207 6.1208 6.1694 6.1694 6.2641 6.2641 6.3124 6.3124 6.3642 6.3642 6.4370 6.4370 6.4727 6.4728 6.5225 6.5225 6.6299 6.6299 6.6879 6.6879 7.1415 7.1415 7.2458 7.2458 7.5510 7.5510 7.6038 7.6038 7.8329 7.8329 7.8628 7.8628 8.2067 8.2067 8.2647 8.2647 9.0823 9.0823 9.1010 9.1010 9.6362 9.6362 9.6758 9.6758 10.9762 10.9762 11.0490 11.0490 11.3605 11.3605 11.4413 11.4413 12.0829 12.0830 12.1268 12.1268 k = 0.3472 0.5000 0.3472 ( 6458 PWs) bands (ev): -4.1993 -4.1993 -4.1987 -4.1987 -3.9775 -3.9775 -3.9762 -3.9762 -0.5202 -0.5202 -0.5183 -0.5183 -0.0662 -0.0662 -0.0638 -0.0638 3.6877 3.6877 3.6960 3.6960 3.8791 3.8791 3.8894 3.8894 4.4263 4.4263 4.4337 4.4337 4.6043 4.6043 4.6157 4.6157 5.3795 5.3795 5.4316 5.4316 5.6997 5.6997 5.7183 5.7183 5.9716 5.9716 6.0430 6.0430 6.1129 6.1129 6.1602 6.1602 6.2732 6.2732 6.3219 6.3219 6.3564 6.3564 6.4372 6.4372 6.4818 6.4819 6.5290 6.5290 6.6590 6.6590 6.7214 6.7214 7.0782 7.0782 7.1873 7.1873 7.5235 7.5235 7.5642 7.5642 7.8078 7.8078 7.8327 7.8327 8.2103 8.2103 8.2684 8.2684 9.1403 9.1403 9.1591 9.1591 9.7243 9.7243 9.7667 9.7667 10.9489 10.9489 11.0294 11.0294 11.3745 11.3745 11.4531 11.4532 12.0717 12.0717 12.1168 12.1168 k = 0.3333 0.5000 0.3333 ( 6460 PWs) bands (ev): -4.2143 -4.2143 -4.2137 -4.2137 -3.9698 -3.9698 -3.9683 -3.9683 -0.5184 -0.5184 -0.5162 -0.5162 -0.0337 -0.0337 -0.0309 -0.0309 3.6811 3.6811 3.6896 3.6896 3.9018 3.9018 3.9126 3.9126 4.4026 4.4026 4.4099 4.4099 4.6074 4.6074 4.6196 4.6196 5.3505 5.3505 5.4004 5.4004 5.6926 5.6926 5.7106 5.7106 5.9417 5.9417 6.0167 6.0167 6.1029 6.1029 6.1491 6.1491 6.2780 6.2780 6.3254 6.3254 6.3510 6.3510 6.4348 6.4348 6.4961 6.4961 6.5410 6.5410 6.6873 6.6873 6.7523 6.7523 7.0227 7.0227 7.1355 7.1355 7.4975 7.4975 7.5283 7.5283 7.7823 7.7823 7.8035 7.8035 8.2147 8.2147 8.2734 8.2734 9.1973 9.1974 9.2164 9.2164 9.8096 9.8096 9.8545 9.8545 10.9171 10.9171 11.0058 11.0058 11.3861 11.3861 11.4633 11.4633 12.0616 12.0616 12.1105 12.1105 k = 0.3194 0.5000 0.3194 ( 6452 PWs) bands (ev): -4.2296 -4.2296 -4.2290 -4.2290 -3.9620 -3.9620 -3.9605 -3.9605 -0.5146 -0.5146 -0.5120 -0.5120 -0.0018 -0.0018 0.0015 0.0015 3.6755 3.6755 3.6841 3.6841 3.9257 3.9257 3.9370 3.9370 4.3786 4.3786 4.3859 4.3859 4.6110 4.6110 4.6238 4.6239 5.3227 5.3227 5.3701 5.3701 5.6831 5.6831 5.7014 5.7014 5.9079 5.9079 5.9861 5.9861 6.0910 6.0910 6.1357 6.1357 6.2778 6.2778 6.3207 6.3207 6.3520 6.3520 6.4310 6.4310 6.5131 6.5131 6.5576 6.5576 6.7120 6.7120 6.7767 6.7767 6.9792 6.9792 7.0920 7.0920 7.4740 7.4740 7.4971 7.4971 7.7566 7.7566 7.7752 7.7752 8.2191 8.2191 8.2790 8.2790 9.2527 9.2527 9.2719 9.2719 9.8917 9.8917 9.9385 9.9385 10.8810 10.8810 10.9779 10.9779 11.3963 11.3963 11.4724 11.4724 12.0532 12.0532 12.1081 12.1081 k = 0.3056 0.5000 0.3056 ( 6444 PWs) bands (ev): -4.2451 -4.2451 -4.2445 -4.2445 -3.9542 -3.9542 -3.9525 -3.9525 -0.5089 -0.5089 -0.5060 -0.5060 0.0293 0.0293 0.0330 0.0330 3.6709 3.6709 3.6796 3.6796 3.9504 3.9504 3.9623 3.9623 4.3548 4.3548 4.3623 4.3623 4.6151 4.6151 4.6287 4.6287 5.2962 5.2962 5.3410 5.3410 5.6707 5.6707 5.6903 5.6903 5.8711 5.8711 5.9524 5.9524 6.0772 6.0772 6.1198 6.1198 6.2734 6.2734 6.3122 6.3122 6.3557 6.3557 6.4268 6.4268 6.5307 6.5307 6.5767 6.5767 6.7299 6.7299 6.7889 6.7889 6.9544 6.9544 7.0586 7.0586 7.4539 7.4539 7.4717 7.4717 7.7313 7.7313 7.7482 7.7482 8.2232 8.2232 8.2844 8.2844 9.3054 9.3054 9.3248 9.3248 9.9696 9.9696 10.0176 10.0176 10.8414 10.8414 10.9461 10.9461 11.4061 11.4061 11.4809 11.4809 12.0470 12.0470 12.1089 12.1090 k = 0.2917 0.5000 0.2917 ( 6444 PWs) bands (ev): -4.2607 -4.2606 -4.2600 -4.2600 -3.9464 -3.9464 -3.9446 -3.9446 -0.5015 -0.5015 -0.4983 -0.4983 0.0593 0.0594 0.0636 0.0636 3.6675 3.6675 3.6763 3.6763 3.9755 3.9755 3.9880 3.9880 4.3314 4.3315 4.3393 4.3393 4.6195 4.6195 4.6340 4.6340 5.2711 5.2711 5.3132 5.3132 5.6545 5.6545 5.6768 5.6768 5.8328 5.8328 5.9171 5.9171 6.0613 6.0613 6.1013 6.1013 6.2659 6.2659 6.3033 6.3033 6.3594 6.3594 6.4229 6.4229 6.5469 6.5469 6.5953 6.5953 6.7377 6.7377 6.7871 6.7871 6.9517 6.9517 7.0367 7.0367 7.4375 7.4375 7.4531 7.4531 7.7069 7.7069 7.7233 7.7233 8.2261 8.2261 8.2891 8.2891 9.3548 9.3548 9.3742 9.3742 10.0425 10.0425 10.0906 10.0906 10.8000 10.8000 10.9120 10.9120 11.4165 11.4165 11.4893 11.4893 12.0434 12.0434 12.1123 12.1123 k = 0.2778 0.5000 0.2778 ( 6452 PWs) bands (ev): -4.2762 -4.2762 -4.2756 -4.2756 -3.9386 -3.9386 -3.9367 -3.9367 -0.4925 -0.4925 -0.4889 -0.4889 0.0881 0.0881 0.0929 0.0929 3.6654 3.6654 3.6744 3.6744 4.0003 4.0003 4.0135 4.0135 4.3091 4.3091 4.3177 4.3177 4.6245 4.6245 4.6400 4.6400 5.2476 5.2476 5.2868 5.2868 5.6339 5.6339 5.6601 5.6601 5.7954 5.7954 5.8821 5.8821 6.0433 6.0433 6.0803 6.0803 6.2569 6.2569 6.2947 6.2947 6.3623 6.3623 6.4197 6.4197 6.5596 6.5597 6.6099 6.6099 6.7341 6.7341 6.7792 6.7792 6.9648 6.9648 7.0266 7.0266 7.4250 7.4250 7.4413 7.4413 7.6839 7.6839 7.7014 7.7014 8.2274 8.2274 8.2923 8.2923 9.3997 9.3997 9.4192 9.4192 10.1092 10.1092 10.1560 10.1560 10.7593 10.7593 10.8782 10.8782 11.4285 11.4285 11.4983 11.4983 12.0419 12.0420 12.1174 12.1174 k = 0.2639 0.5000 0.2639 ( 6448 PWs) bands (ev): -4.2917 -4.2917 -4.2911 -4.2911 -3.9308 -3.9308 -3.9288 -3.9288 -0.4821 -0.4821 -0.4781 -0.4781 0.1155 0.1155 0.1208 0.1208 3.6646 3.6646 3.6737 3.6737 4.0239 4.0239 4.0378 4.0378 4.2886 4.2886 4.2983 4.2983 4.6302 4.6302 4.6469 4.6469 5.2256 5.2256 5.2619 5.2619 5.6081 5.6081 5.6390 5.6390 5.7614 5.7615 5.8491 5.8491 6.0232 6.0232 6.0573 6.0573 6.2474 6.2475 6.2866 6.2866 6.3643 6.3643 6.4176 6.4176 6.5671 6.5671 6.6183 6.6183 6.7251 6.7251 6.7703 6.7703 6.9842 6.9842 7.0270 7.0270 7.4168 7.4168 7.4357 7.4357 7.6633 7.6633 7.6837 7.6837 8.2263 8.2263 8.2934 8.2934 9.4393 9.4393 9.4587 9.4587 10.1679 10.1679 10.2118 10.2118 10.7231 10.7231 10.8482 10.8483 11.4422 11.4422 11.5083 11.5083 12.0422 12.0422 12.1231 12.1231 k = 0.2500 0.5000 0.2500 ( 6456 PWs) bands (ev): -4.3071 -4.3071 -4.3065 -4.3065 -3.9231 -3.9231 -3.9210 -3.9210 -0.4703 -0.4703 -0.4660 -0.4660 0.1413 0.1413 0.1472 0.1472 3.6651 3.6651 3.6743 3.6743 4.0449 4.0449 4.0596 4.0596 4.2706 4.2706 4.2823 4.2823 4.6366 4.6366 4.6547 4.6547 5.2049 5.2049 5.2386 5.2386 5.5768 5.5768 5.6126 5.6126 5.7332 5.7332 5.8197 5.8197 6.0010 6.0010 6.0324 6.0324 6.2381 6.2381 6.2788 6.2788 6.3657 6.3657 6.4164 6.4164 6.5676 6.5676 6.6200 6.6200 6.7177 6.7177 6.7603 6.7603 7.0049 7.0049 7.0357 7.0357 7.4124 7.4124 7.4344 7.4344 7.6460 7.6460 7.6711 7.6711 8.2223 8.2223 8.2917 8.2917 9.4725 9.4725 9.4917 9.4917 10.2162 10.2162 10.2564 10.2564 10.6956 10.6956 10.8264 10.8264 11.4578 11.4578 11.5199 11.5199 12.0434 12.0434 12.1290 12.1290 k = 0.2361 0.5000 0.2361 ( 6462 PWs) bands (ev): -4.3221 -4.3221 -4.3216 -4.3215 -3.9155 -3.9155 -3.9133 -3.9133 -0.4574 -0.4574 -0.4527 -0.4527 0.1654 0.1654 0.1719 0.1719 3.6667 3.6667 3.6760 3.6760 4.0617 4.0617 4.0772 4.0772 4.2567 4.2567 4.2710 4.2711 4.6441 4.6441 4.6638 4.6638 5.1855 5.1855 5.2167 5.2167 5.5409 5.5409 5.5818 5.5818 5.7110 5.7110 5.7943 5.7943 5.9770 5.9770 6.0062 6.0062 6.2293 6.2293 6.2714 6.2714 6.3665 6.3665 6.4159 6.4159 6.5612 6.5612 6.6174 6.6174 6.7121 6.7121 6.7501 6.7501 7.0244 7.0244 7.0502 7.0502 7.4104 7.4104 7.4353 7.4353 7.6338 7.6338 7.6648 7.6648 8.2149 8.2149 8.2866 8.2866 9.4983 9.4983 9.5172 9.5172 10.2515 10.2515 10.2893 10.2893 10.6810 10.6810 10.8164 10.8164 11.4749 11.4749 11.5338 11.5338 12.0448 12.0448 12.1342 12.1342 k = 0.2222 0.5000 0.2222 ( 6458 PWs) bands (ev): -4.3369 -4.3368 -4.3363 -4.3363 -3.9079 -3.9079 -3.9057 -3.9057 -0.4436 -0.4436 -0.4385 -0.4385 0.1878 0.1878 0.1949 0.1949 3.6691 3.6691 3.6786 3.6786 4.0724 4.0724 4.0888 4.0888 4.2485 4.2485 4.2661 4.2661 4.6527 4.6527 4.6744 4.6744 5.1667 5.1667 5.1963 5.1963 5.5025 5.5025 5.5492 5.5492 5.6935 5.6935 5.7729 5.7729 5.9514 5.9514 5.9791 5.9791 6.2213 6.2213 6.2644 6.2644 6.3669 6.3669 6.4158 6.4158 6.5501 6.5501 6.6123 6.6123 6.7058 6.7058 6.7405 6.7405 7.0421 7.0421 7.0680 7.0680 7.4089 7.4089 7.4363 7.4363 7.6281 7.6281 7.6655 7.6655 8.2036 8.2036 8.2775 8.2775 9.5160 9.5160 9.5345 9.5345 10.2725 10.2725 10.3119 10.3119 10.6812 10.6812 10.8201 10.8201 11.4931 11.4931 11.5508 11.5508 12.0455 12.0455 12.1385 12.1385 k = 0.2083 0.5000 0.2083 ( 6458 PWs) bands (ev): -4.3511 -4.3511 -4.3506 -4.3506 -3.9006 -3.9006 -3.8983 -3.8983 -0.4291 -0.4291 -0.4236 -0.4236 0.2083 0.2083 0.2160 0.2160 3.6723 3.6723 3.6819 3.6819 4.0762 4.0762 4.0930 4.0931 4.2470 4.2470 4.2677 4.2677 4.6627 4.6627 4.6867 4.6867 5.1480 5.1480 5.1769 5.1769 5.4641 5.4642 5.5173 5.5173 5.6790 5.6790 5.7547 5.7547 5.9250 5.9250 5.9517 5.9517 6.2141 6.2141 6.2577 6.2577 6.3670 6.3671 6.4158 6.4158 6.5375 6.5375 6.6050 6.6050 6.6974 6.6974 6.7316 6.7316 7.0584 7.0584 7.0869 7.0869 7.4062 7.4062 7.4355 7.4355 7.6300 7.6300 7.6733 7.6733 8.1881 8.1881 8.2641 8.2641 9.5252 9.5253 9.5433 9.5434 10.2825 10.2826 10.3265 10.3265 10.6952 10.6952 10.8361 10.8361 11.5121 11.5121 11.5712 11.5712 12.0448 12.0448 12.1417 12.1417 k = 0.1944 0.5000 0.1944 ( 6454 PWs) bands (ev): -4.3649 -4.3649 -4.3644 -4.3644 -3.8934 -3.8934 -3.8911 -3.8911 -0.4140 -0.4140 -0.4081 -0.4081 0.2270 0.2270 0.2353 0.2353 3.6757 3.6757 3.6855 3.6855 4.0740 4.0740 4.0906 4.0906 4.2515 4.2515 4.2746 4.2746 4.6742 4.6742 4.7010 4.7010 5.1287 5.1287 5.1581 5.1581 5.4287 5.4287 5.4885 5.4885 5.6663 5.6663 5.7387 5.7387 5.8982 5.8982 5.9246 5.9246 6.2079 6.2079 6.2514 6.2514 6.3669 6.3669 6.4155 6.4155 6.5254 6.5254 6.5954 6.5954 6.6878 6.6878 6.7229 6.7229 7.0732 7.0732 7.1053 7.1053 7.4016 7.4016 7.4323 7.4323 7.6394 7.6394 7.6872 7.6872 8.1681 8.1681 8.2460 8.2460 9.5264 9.5264 9.5443 9.5443 10.2872 10.2872 10.3362 10.3362 10.7193 10.7193 10.8608 10.8608 11.5320 11.5320 11.5951 11.5951 12.0422 12.0422 12.1437 12.1437 k = 0.1806 0.5000 0.1806 ( 6460 PWs) bands (ev): -4.3781 -4.3781 -4.3776 -4.3776 -3.8865 -3.8865 -3.8842 -3.8842 -0.3985 -0.3985 -0.3923 -0.3923 0.2439 0.2439 0.2528 0.2528 3.6790 3.6790 3.6891 3.6891 4.0676 4.0676 4.0836 4.0837 4.2600 4.2600 4.2846 4.2846 4.6872 4.6872 4.7171 4.7171 5.1083 5.1083 5.1388 5.1388 5.3989 5.3989 5.4645 5.4645 5.6545 5.6545 5.7242 5.7242 5.8719 5.8719 5.8983 5.8984 6.2027 6.2028 6.2454 6.2454 6.3663 6.3663 6.4148 6.4148 6.5149 6.5149 6.5835 6.5835 6.6781 6.6781 6.7137 6.7137 7.0862 7.0862 7.1222 7.1222 7.3946 7.3946 7.4274 7.4274 7.6547 7.6547 7.7056 7.7056 8.1439 8.1439 8.2232 8.2232 9.5207 9.5207 9.5386 9.5386 10.2911 10.2911 10.3439 10.3439 10.7494 10.7494 10.8901 10.8901 11.5531 11.5531 11.6221 11.6221 12.0372 12.0372 12.1447 12.1447 k = 0.1667 0.5000 0.1667 ( 6442 PWs) bands (ev): -4.3906 -4.3906 -4.3901 -4.3901 -3.8799 -3.8799 -3.8775 -3.8775 -0.3830 -0.3830 -0.3764 -0.3764 0.2589 0.2589 0.2684 0.2684 3.6819 3.6819 3.6923 3.6923 4.0593 4.0593 4.0745 4.0745 4.2701 4.2701 4.2957 4.2957 4.7014 4.7014 4.7348 4.7348 5.0866 5.0866 5.1179 5.1179 5.3769 5.3769 5.4465 5.4465 5.6431 5.6431 5.7104 5.7104 5.8469 5.8469 5.8737 5.8737 6.1987 6.1987 6.2398 6.2398 6.3651 6.3651 6.4135 6.4135 6.5063 6.5063 6.5697 6.5697 6.6690 6.6690 6.7042 6.7042 7.0969 7.0969 7.1372 7.1372 7.3855 7.3855 7.4218 7.4218 7.6738 7.6738 7.7266 7.7267 8.1158 8.1158 8.1961 8.1961 9.5101 9.5101 9.5282 9.5282 10.2965 10.2965 10.3518 10.3518 10.7821 10.7821 10.9207 10.9207 11.5760 11.5760 11.6516 11.6516 12.0296 12.0296 12.1451 12.1451 k = 0.1528 0.5000 0.1528 ( 6456 PWs) bands (ev): -4.4024 -4.4024 -4.4019 -4.4019 -3.8737 -3.8737 -3.8712 -3.8712 -0.3675 -0.3675 -0.3606 -0.3606 0.2722 0.2722 0.2823 0.2823 3.6840 3.6840 3.6947 3.6947 4.0504 4.0504 4.0648 4.0648 4.2804 4.2804 4.3065 4.3065 4.7163 4.7163 4.7535 4.7536 5.0636 5.0636 5.0948 5.0948 5.3641 5.3641 5.4350 5.4350 5.6318 5.6318 5.6968 5.6968 5.8238 5.8238 5.8515 5.8515 6.1957 6.1957 6.2346 6.2346 6.3631 6.3631 6.4118 6.4118 6.4993 6.4993 6.5545 6.5545 6.6607 6.6607 6.6948 6.6948 7.1051 7.1051 7.1500 7.1500 7.3746 7.3746 7.4159 7.4159 7.6947 7.6947 7.7485 7.7485 8.0850 8.0850 8.1653 8.1653 9.4966 9.4966 9.5148 9.5148 10.3040 10.3040 10.3609 10.3609 10.8151 10.8151 10.9500 10.9500 11.6005 11.6005 11.6832 11.6832 12.0193 12.0193 12.1454 12.1454 k = 0.1389 0.5000 0.1389 ( 6464 PWs) bands (ev): -4.4133 -4.4133 -4.4129 -4.4129 -3.8678 -3.8678 -3.8653 -3.8653 -0.3524 -0.3524 -0.3452 -0.3452 0.2838 0.2838 0.2945 0.2945 3.6851 3.6851 3.6959 3.6959 4.0420 4.0420 4.0556 4.0556 4.2901 4.2901 4.3166 4.3166 4.7313 4.7313 4.7725 4.7725 5.0397 5.0397 5.0697 5.0697 5.3607 5.3607 5.4298 5.4298 5.6204 5.6204 5.6829 5.6829 5.8034 5.8034 5.8324 5.8324 6.1939 6.1939 6.2297 6.2297 6.3600 6.3600 6.4099 6.4099 6.4933 6.4933 6.5386 6.5387 6.6533 6.6533 6.6861 6.6861 7.1107 7.1107 7.1605 7.1605 7.3622 7.3622 7.4097 7.4097 7.7155 7.7155 7.7695 7.7695 8.0528 8.0528 8.1321 8.1321 9.4824 9.4824 9.5004 9.5004 10.3133 10.3133 10.3712 10.3712 10.8469 10.8469 10.9765 10.9765 11.6262 11.6262 11.7166 11.7166 12.0065 12.0066 12.1462 12.1462 k = 0.1250 0.5000 0.1250 ( 6480 PWs) bands (ev): -4.4234 -4.4234 -4.4230 -4.4230 -3.8623 -3.8623 -3.8598 -3.8598 -0.3378 -0.3378 -0.3304 -0.3303 0.2938 0.2938 0.3050 0.3050 3.6850 3.6850 3.6959 3.6959 4.0346 4.0346 4.0475 4.0475 4.2993 4.2993 4.3258 4.3258 4.7456 4.7456 4.7910 4.7910 5.0155 5.0155 5.0436 5.0436 5.3658 5.3658 5.4301 5.4301 5.6089 5.6089 5.6689 5.6689 5.7864 5.7864 5.8169 5.8170 6.1933 6.1934 6.2254 6.2254 6.3559 6.3559 6.4082 6.4082 6.4870 6.4871 6.5231 6.5232 6.6468 6.6468 6.6785 6.6785 7.1139 7.1139 7.1687 7.1687 7.3483 7.3483 7.4027 7.4027 7.7346 7.7346 7.7876 7.7876 8.0216 8.0216 8.0983 8.0983 9.4689 9.4689 9.4864 9.4864 10.3237 10.3237 10.3822 10.3823 10.8767 10.8767 10.9993 10.9993 11.6518 11.6518 11.7517 11.7517 11.9918 11.9918 12.1481 12.1481 k = 0.1111 0.5000 0.1111 ( 6468 PWs) bands (ev): -4.4326 -4.4326 -4.4322 -4.4322 -3.8573 -3.8573 -3.8548 -3.8548 -0.3240 -0.3240 -0.3163 -0.3163 0.3024 0.3024 0.3140 0.3140 3.6838 3.6838 3.6946 3.6946 4.0285 4.0285 4.0407 4.0407 4.3080 4.3080 4.3342 4.3342 4.7586 4.7586 4.8081 4.8081 4.9914 4.9914 5.0179 5.0179 5.3779 5.3779 5.4346 5.4346 5.5974 5.5974 5.6550 5.6550 5.7731 5.7731 5.8056 5.8056 6.1941 6.1941 6.2218 6.2218 6.3508 6.3509 6.4065 6.4065 6.4794 6.4794 6.5093 6.5093 6.6412 6.6412 6.6724 6.6724 7.1152 7.1152 7.1750 7.1750 7.3330 7.3330 7.3942 7.3942 7.7505 7.7505 7.8011 7.8011 7.9941 7.9941 8.0662 8.0662 9.4573 9.4573 9.4737 9.4737 10.3345 10.3345 10.3934 10.3934 10.9042 10.9042 11.0182 11.0182 11.6761 11.6761 11.7882 11.7882 11.9758 11.9758 12.1514 12.1514 k = 0.0972 0.5000 0.0972 ( 6482 PWs) bands (ev): -4.4408 -4.4408 -4.4404 -4.4404 -3.8527 -3.8527 -3.8503 -3.8503 -0.3113 -0.3113 -0.3033 -0.3033 0.3096 0.3096 0.3217 0.3217 3.6817 3.6817 3.6922 3.6922 4.0236 4.0236 4.0350 4.0350 4.3164 4.3164 4.3419 4.3419 4.7695 4.7696 4.8234 4.8234 4.9680 4.9680 4.9940 4.9940 5.3948 5.3948 5.4416 5.4416 5.5864 5.5864 5.6420 5.6420 5.7637 5.7637 5.7981 5.7981 6.1962 6.1962 6.2191 6.2191 6.3450 6.3450 6.4045 6.4045 6.4693 6.4693 6.4979 6.4979 6.6368 6.6368 6.6677 6.6677 7.1151 7.1151 7.1795 7.1796 7.3161 7.3161 7.3833 7.3833 7.7617 7.7617 7.8082 7.8082 7.9729 7.9729 8.0385 8.0385 9.4479 9.4479 9.4629 9.4629 10.3449 10.3449 10.4039 10.4039 10.9292 10.9292 11.0331 11.0331 11.6977 11.6977 11.8247 11.8247 11.9605 11.9605 12.1557 12.1557 k = 0.0833 0.5000 0.0833 ( 6478 PWs) bands (ev): -4.4480 -4.4480 -4.4477 -4.4476 -3.8487 -3.8487 -3.8463 -3.8463 -0.2997 -0.2997 -0.2915 -0.2915 0.3155 0.3155 0.3280 0.3280 3.6788 3.6788 3.6888 3.6888 4.0199 4.0199 4.0303 4.0303 4.3247 4.3247 4.3492 4.3492 4.7781 4.7781 4.8363 4.8363 4.9457 4.9457 4.9731 4.9731 5.4142 5.4142 5.4494 5.4494 5.5765 5.5765 5.6306 5.6306 5.7581 5.7581 5.7945 5.7945 6.1994 6.1994 6.2174 6.2174 6.3387 6.3387 6.4013 6.4013 6.4579 6.4579 6.4888 6.4888 6.6339 6.6339 6.6641 6.6641 7.1144 7.1144 7.1826 7.1826 7.2978 7.2978 7.3697 7.3697 7.7671 7.7671 7.8086 7.8086 7.9594 7.9594 8.0177 8.0177 9.4409 9.4409 9.4542 9.4542 10.3547 10.3547 10.4134 10.4134 10.9516 10.9516 11.0443 11.0443 11.7162 11.7162 11.8564 11.8564 11.9506 11.9506 12.1603 12.1603 k = 0.0694 0.5000 0.0694 ( 6474 PWs) bands (ev): -4.4542 -4.4542 -4.4538 -4.4538 -3.8453 -3.8453 -3.8428 -3.8428 -0.2895 -0.2895 -0.2812 -0.2812 0.3203 0.3203 0.3331 0.3331 3.6757 3.6757 3.6849 3.6849 4.0173 4.0173 4.0265 4.0265 4.3327 4.3327 4.3560 4.3560 4.7840 4.7840 4.8466 4.8466 4.9254 4.9254 4.9556 4.9556 5.4336 5.4336 5.4563 5.4563 5.5685 5.5685 5.6214 5.6214 5.7561 5.7561 5.7940 5.7940 6.2034 6.2034 6.2172 6.2172 6.3323 6.3323 6.3957 6.3957 6.4477 6.4477 6.4805 6.4805 6.6327 6.6327 6.6613 6.6613 7.1139 7.1139 7.1839 7.1839 7.2789 7.2789 7.3536 7.3536 7.7671 7.7671 7.8040 7.8040 7.9523 7.9523 8.0052 8.0052 9.4361 9.4361 9.4474 9.4474 10.3634 10.3634 10.4214 10.4214 10.9716 10.9716 11.0521 11.0521 11.7318 11.7318 11.8711 11.8711 11.9580 11.9580 12.1638 12.1638 k = 0.0556 0.5000 0.0556 ( 6478 PWs) bands (ev): -4.4593 -4.4593 -4.4589 -4.4589 -3.8425 -3.8425 -3.8400 -3.8400 -0.2810 -0.2810 -0.2725 -0.2725 0.3241 0.3241 0.3372 0.3372 3.6726 3.6726 3.6809 3.6809 4.0155 4.0155 4.0233 4.0233 4.3403 4.3403 4.3621 4.3621 4.7876 4.7876 4.8541 4.8541 4.9081 4.9081 4.9418 4.9418 5.4503 5.4503 5.4617 5.4617 5.5635 5.5635 5.6142 5.6142 5.7572 5.7572 5.7960 5.7960 6.2076 6.2076 6.2190 6.2190 6.3264 6.3264 6.3865 6.3865 6.4409 6.4409 6.4725 6.4725 6.6332 6.6332 6.6590 6.6590 7.1143 7.1143 7.1828 7.1828 7.2614 7.2614 7.3357 7.3357 7.7636 7.7636 7.7965 7.7965 7.9492 7.9492 8.0000 8.0000 9.4331 9.4331 9.4423 9.4424 10.3707 10.3707 10.4279 10.4279 10.9891 10.9891 11.0569 11.0569 11.7455 11.7455 11.8649 11.8649 11.9857 11.9857 12.1647 12.1647 k = 0.0417 0.5000 0.0417 ( 6486 PWs) bands (ev): -4.4633 -4.4632 -4.4629 -4.4629 -3.8402 -3.8402 -3.8377 -3.8377 -0.2741 -0.2741 -0.2656 -0.2656 0.3269 0.3269 0.3402 0.3402 3.6699 3.6699 3.6773 3.6773 4.0145 4.0145 4.0206 4.0206 4.3471 4.3471 4.3672 4.3672 4.7892 4.7893 4.8581 4.8581 4.8953 4.8953 4.9315 4.9316 5.4612 5.4612 5.4665 5.4665 5.5622 5.5622 5.6087 5.6087 5.7602 5.7602 5.7995 5.7995 6.2114 6.2114 6.2225 6.2225 6.3219 6.3219 6.3743 6.3743 6.4379 6.4379 6.4648 6.4648 6.6350 6.6350 6.6567 6.6567 7.1164 7.1164 7.1775 7.1775 7.2485 7.2485 7.3176 7.3176 7.7591 7.7591 7.7883 7.7883 7.9485 7.9485 7.9994 7.9994 9.4316 9.4316 9.4386 9.4386 10.3766 10.3766 10.4327 10.4327 11.0041 11.0041 11.0590 11.0590 11.7580 11.7580 11.8501 11.8501 12.0207 12.0207 12.1614 12.1614 k = 0.0278 0.5000 0.0278 ( 6478 PWs) bands (ev): -4.4661 -4.4661 -4.4658 -4.4658 -3.8386 -3.8386 -3.8361 -3.8361 -0.2691 -0.2691 -0.2605 -0.2605 0.3289 0.3289 0.3423 0.3423 3.6678 3.6678 3.6743 3.6743 4.0141 4.0141 4.0185 4.0185 4.3526 4.3526 4.3712 4.3712 4.7897 4.7897 4.8582 4.8582 4.8882 4.8882 4.9246 4.9246 5.4649 5.4649 5.4720 5.4720 5.5642 5.5642 5.6042 5.6042 5.7639 5.7639 5.8033 5.8033 6.2149 6.2149 6.2263 6.2263 6.3200 6.3200 6.3609 6.3609 6.4376 6.4376 6.4579 6.4579 6.6377 6.6378 6.6543 6.6543 7.1212 7.1212 7.1671 7.1671 7.2428 7.2428 7.3009 7.3009 7.7555 7.7555 7.7810 7.7810 7.9490 7.9490 8.0007 8.0007 9.4311 9.4312 9.4359 9.4359 10.3809 10.3809 10.4361 10.4361 11.0164 11.0164 11.0589 11.0589 11.7704 11.7704 11.8334 11.8334 12.0554 12.0554 12.1530 12.1530 k = 0.0139 0.5000 0.0139 ( 6476 PWs) bands (ev): -4.4678 -4.4678 -4.4675 -4.4675 -3.8376 -3.8376 -3.8351 -3.8351 -0.2661 -0.2661 -0.2575 -0.2575 0.3300 0.3300 0.3436 0.3436 3.6665 3.6665 3.6724 3.6724 4.0143 4.0143 4.0168 4.0168 4.3562 4.3562 4.3736 4.3736 4.7897 4.7897 4.8561 4.8561 4.8858 4.8858 4.9205 4.9205 5.4660 5.4660 5.4751 5.4751 5.5674 5.5674 5.6009 5.6009 5.7669 5.7669 5.8063 5.8063 6.2177 6.2177 6.2287 6.2287 6.3214 6.3214 6.3487 6.3487 6.4389 6.4389 6.4523 6.4523 6.6406 6.6406 6.6519 6.6519 7.1289 7.1289 7.1535 7.1535 7.2427 7.2427 7.2882 7.2882 7.7534 7.7534 7.7759 7.7759 7.9496 7.9496 8.0020 8.0020 9.4314 9.4314 9.4340 9.4340 10.3835 10.3835 10.4380 10.4380 11.0250 11.0250 11.0575 11.0575 11.7828 11.7828 11.8175 11.8175 12.0862 12.0862 12.1391 12.1391 k = 0.0000 0.5000-0.0000 ( 6480 PWs) bands (ev): -4.4684 -4.4684 -4.4681 -4.4681 -3.8373 -3.8373 -3.8348 -3.8348 -0.2651 -0.2651 -0.2564 -0.2564 0.3304 0.3304 0.3440 0.3440 3.6660 3.6660 3.6717 3.6717 4.0145 4.0145 4.0161 4.0161 4.3574 4.3574 4.3744 4.3744 4.7897 4.7897 4.8549 4.8549 4.8854 4.8854 4.9192 4.9192 5.4663 5.4663 5.4759 5.4759 5.5689 5.5689 5.5996 5.5996 5.7680 5.7680 5.8074 5.8074 6.2189 6.2189 6.2294 6.2294 6.3235 6.3235 6.3428 6.3428 6.4399 6.4399 6.4498 6.4498 6.6420 6.6420 6.6507 6.6507 7.1382 7.1382 7.1419 7.1419 7.2436 7.2436 7.2831 7.2831 7.7528 7.7528 7.7741 7.7741 7.9499 7.9499 8.0026 8.0026 9.4319 9.4319 9.4331 9.4331 10.3844 10.3844 10.4387 10.4387 11.0283 11.0283 11.0566 11.0566 11.7912 11.7912 11.8078 11.8078 12.1046 12.1046 12.1265 12.1265 k = 0.5000 0.5000-0.0000 ( 6496 PWs) bands (ev): -4.2613 -4.2613 -4.2613 -4.2613 -3.9784 -3.9784 -3.9783 -3.9783 -0.5252 -0.5252 -0.5252 -0.5252 0.2700 0.2700 0.2700 0.2700 3.7691 3.7691 3.7691 3.7691 3.8043 3.8043 3.8043 3.8043 4.3759 4.3759 4.3759 4.3759 4.4618 4.4618 4.4618 4.4618 5.3677 5.3677 5.3677 5.3677 5.5707 5.5707 5.5707 5.5707 5.9272 5.9272 5.9272 5.9272 5.9831 5.9831 5.9831 5.9831 6.1784 6.1784 6.1785 6.1785 6.2277 6.2277 6.2277 6.2277 6.6432 6.6432 6.6432 6.6432 6.7481 6.7481 6.7481 6.7481 6.9693 6.9693 6.9693 6.9693 7.1242 7.1242 7.1242 7.1242 8.1335 8.1335 8.1335 8.1335 8.3945 8.3945 8.3945 8.3945 9.9611 9.9611 9.9611 9.9611 10.0962 10.0962 10.0962 10.0962 10.4711 10.4711 10.4711 10.4711 11.0512 11.0512 11.0512 11.0512 12.2752 12.2752 12.2752 12.2752 k = 0.5000 0.5000 0.0200 ( 6472 PWs) bands (ev): -4.2608 -4.2608 -4.2608 -4.2608 -3.9784 -3.9784 -3.9784 -3.9784 -0.5254 -0.5254 -0.5254 -0.5254 0.2679 0.2679 0.2680 0.2680 3.7689 3.7689 3.7692 3.7692 3.8042 3.8042 3.8044 3.8044 4.3753 4.3753 4.3779 4.3779 4.4611 4.4611 4.4631 4.4631 5.3664 5.3664 5.3718 5.3718 5.5666 5.5666 5.5744 5.5744 5.9218 5.9218 5.9351 5.9351 5.9840 5.9840 5.9842 5.9842 6.1762 6.1762 6.1842 6.1842 6.2272 6.2272 6.2309 6.2309 6.6417 6.6417 6.6459 6.6459 6.7475 6.7476 6.7498 6.7498 6.9676 6.9676 6.9688 6.9688 7.1209 7.1209 7.1246 7.1246 8.1318 8.1318 8.1348 8.1348 8.3919 8.3919 8.3947 8.3948 9.9548 9.9548 9.9620 9.9620 10.0777 10.0777 10.0882 10.0882 10.4767 10.4767 10.4943 10.4943 11.0453 11.0453 11.0589 11.0589 12.2711 12.2711 12.2806 12.2806 k = 0.5000 0.5000 0.0400 ( 6472 PWs) bands (ev): -4.2594 -4.2594 -4.2594 -4.2594 -3.9785 -3.9785 -3.9785 -3.9785 -0.5261 -0.5261 -0.5261 -0.5261 0.2617 0.2617 0.2620 0.2620 3.7687 3.7687 3.7693 3.7693 3.8041 3.8041 3.8046 3.8046 4.3761 4.3761 4.3812 4.3812 4.4609 4.4609 4.4649 4.4649 5.3677 5.3677 5.3785 5.3785 5.5623 5.5623 5.5773 5.5773 5.9191 5.9191 5.9451 5.9451 5.9865 5.9866 5.9874 5.9874 6.1776 6.1776 6.1926 6.1926 6.2297 6.2297 6.2366 6.2366 6.6415 6.6415 6.6498 6.6498 6.7481 6.7481 6.7523 6.7523 6.9641 6.9641 6.9663 6.9663 7.1149 7.1149 7.1222 7.1222 8.1297 8.1297 8.1356 8.1356 8.3869 8.3869 8.3926 8.3926 9.9427 9.9427 9.9576 9.9576 10.0403 10.0403 10.0562 10.0562 10.5082 10.5082 10.5391 10.5391 11.0410 11.0410 11.0680 11.0680 12.2683 12.2683 12.2872 12.2872 k = 0.5000 0.5000 0.0600 ( 6440 PWs) bands (ev): -4.2572 -4.2572 -4.2572 -4.2572 -3.9787 -3.9787 -3.9787 -3.9787 -0.5272 -0.5272 -0.5272 -0.5272 0.2515 0.2515 0.2519 0.2520 3.7684 3.7684 3.7692 3.7692 3.8041 3.8041 3.8048 3.8048 4.3784 4.3784 4.3858 4.3858 4.4614 4.4614 4.4672 4.4672 5.3717 5.3717 5.3879 5.3879 5.5581 5.5581 5.5794 5.5795 5.9193 5.9193 5.9566 5.9566 5.9907 5.9907 5.9929 5.9929 6.1831 6.1831 6.2027 6.2027 6.2358 6.2358 6.2448 6.2448 6.6424 6.6424 6.6545 6.6545 6.7495 6.7495 6.7554 6.7554 6.9595 6.9595 6.9624 6.9624 7.1065 7.1065 7.1174 7.1174 8.1272 8.1272 8.1359 8.1359 8.3796 8.3796 8.3881 8.3881 9.9228 9.9228 9.9472 9.9472 9.9946 9.9946 10.0099 10.0099 10.5568 10.5568 10.5968 10.5968 11.0385 11.0385 11.0784 11.0784 12.2666 12.2666 12.2947 12.2947 k = 0.5000 0.5000 0.0800 ( 6440 PWs) bands (ev): -4.2540 -4.2540 -4.2540 -4.2540 -3.9790 -3.9790 -3.9790 -3.9790 -0.5286 -0.5286 -0.5286 -0.5286 0.2376 0.2376 0.2381 0.2381 3.7681 3.7681 3.7691 3.7691 3.8041 3.8041 3.8049 3.8049 4.3821 4.3821 4.3916 4.3916 4.4624 4.4624 4.4701 4.4701 5.3780 5.3780 5.3995 5.3995 5.5543 5.5543 5.5807 5.5808 5.9222 5.9222 5.9690 5.9690 5.9962 5.9962 6.0008 6.0008 6.1923 6.1923 6.2133 6.2133 6.2458 6.2458 6.2550 6.2550 6.6439 6.6439 6.6594 6.6594 6.7516 6.7516 6.7582 6.7582 6.9551 6.9551 6.9582 6.9582 7.0963 7.0963 7.1107 7.1107 8.1243 8.1243 8.1357 8.1358 8.3700 8.3700 8.3814 8.3814 9.8902 9.8902 9.9254 9.9254 9.9512 9.9512 9.9618 9.9618 10.6146 10.6146 10.6616 10.6616 11.0374 11.0374 11.0898 11.0898 12.2656 12.2657 12.3025 12.3025 k = 0.5000 0.5000 0.1000 ( 6440 PWs) bands (ev): -4.2500 -4.2500 -4.2500 -4.2500 -3.9794 -3.9794 -3.9794 -3.9794 -0.5303 -0.5303 -0.5303 -0.5303 0.2200 0.2200 0.2206 0.2207 3.7676 3.7676 3.7687 3.7687 3.8040 3.8040 3.8047 3.8047 4.3873 4.3873 4.3987 4.3987 4.4643 4.4643 4.4736 4.4736 5.3865 5.3865 5.4131 5.4131 5.5510 5.5510 5.5814 5.5814 5.9275 5.9275 5.9818 5.9818 6.0028 6.0028 6.0111 6.0112 6.2051 6.2051 6.2237 6.2237 6.2598 6.2598 6.2674 6.2674 6.6453 6.6453 6.6634 6.6634 6.7538 6.7538 6.7600 6.7600 6.9527 6.9527 6.9551 6.9552 7.0855 7.0855 7.1030 7.1030 8.1210 8.1210 8.1351 8.1351 8.3583 8.3583 8.3724 8.3724 9.8416 9.8416 9.8782 9.8782 9.9165 9.9165 9.9303 9.9303 10.6771 10.6771 10.7299 10.7299 11.0378 11.0378 11.1017 11.1017 12.2649 12.2649 12.3103 12.3103 k = 0.5000 0.5000 0.1200 ( 6440 PWs) bands (ev): -4.2451 -4.2451 -4.2451 -4.2451 -3.9800 -3.9800 -3.9800 -3.9800 -0.5322 -0.5322 -0.5322 -0.5322 0.1991 0.1991 0.1998 0.1998 3.7670 3.7670 3.7682 3.7682 3.8037 3.8037 3.8043 3.8043 4.3941 4.3941 4.4070 4.4070 4.4669 4.4669 4.4778 4.4778 5.3968 5.3968 5.4286 5.4286 5.5486 5.5486 5.5815 5.5815 5.9349 5.9350 5.9947 5.9947 6.0105 6.0105 6.0238 6.0238 6.2211 6.2211 6.2339 6.2339 6.2767 6.2767 6.2815 6.2815 6.6457 6.6457 6.6645 6.6645 6.7561 6.7561 6.7601 6.7601 6.9540 6.9540 6.9552 6.9552 7.0759 7.0759 7.0957 7.0957 8.1174 8.1174 8.1341 8.1341 8.3446 8.3446 8.3613 8.3613 9.7834 9.7834 9.8171 9.8171 9.8859 9.8859 9.9059 9.9059 10.7415 10.7415 10.7996 10.7996 11.0393 11.0393 11.1139 11.1139 12.2639 12.2639 12.3173 12.3173 k = 0.5000 0.5000 0.1400 ( 6440 PWs) bands (ev): -4.2395 -4.2395 -4.2395 -4.2395 -3.9808 -3.9808 -3.9808 -3.9808 -0.5341 -0.5341 -0.5341 -0.5341 0.1751 0.1751 0.1760 0.1760 3.7663 3.7663 3.7675 3.7675 3.8032 3.8032 3.8035 3.8035 4.4024 4.4024 4.4165 4.4165 4.4703 4.4703 4.4826 4.4826 5.4087 5.4087 5.4454 5.4455 5.5472 5.5472 5.5814 5.5814 5.9441 5.9441 6.0077 6.0077 6.0190 6.0190 6.0381 6.0381 6.2395 6.2395 6.2442 6.2442 6.2948 6.2948 6.2969 6.2969 6.6434 6.6434 6.6604 6.6604 6.7578 6.7578 6.7584 6.7584 6.9601 6.9601 6.9601 6.9601 7.0703 7.0703 7.0907 7.0907 8.1135 8.1135 8.1326 8.1326 8.3290 8.3290 8.3483 8.3483 9.7210 9.7210 9.7525 9.7525 9.8547 9.8547 9.8795 9.8795 10.8059 10.8059 10.8689 10.8689 11.0419 11.0419 11.1263 11.1263 12.2620 12.2620 12.3230 12.3230 k = 0.5000 0.5000 0.1600 ( 6440 PWs) bands (ev): -4.2331 -4.2330 -4.2330 -4.2330 -3.9818 -3.9818 -3.9818 -3.9817 -0.5359 -0.5359 -0.5359 -0.5359 0.1485 0.1485 0.1494 0.1494 3.7654 3.7654 3.7665 3.7665 3.8023 3.8023 3.8024 3.8024 4.4122 4.4122 4.4271 4.4271 4.4747 4.4747 4.4881 4.4881 5.4219 5.4219 5.4634 5.4635 5.5470 5.5470 5.5814 5.5814 5.9544 5.9544 6.0210 6.0210 6.0282 6.0282 6.0534 6.0534 6.2548 6.2548 6.2597 6.2597 6.3130 6.3130 6.3133 6.3133 6.6366 6.6366 6.6498 6.6498 6.7532 6.7532 6.7600 6.7600 6.9707 6.9707 6.9715 6.9715 7.0724 7.0724 7.0904 7.0904 8.1094 8.1094 8.1307 8.1308 8.3117 8.3117 8.3334 8.3334 9.6566 9.6566 9.6863 9.6863 9.8213 9.8213 9.8497 9.8497 10.8684 10.8684 10.9359 10.9359 11.0457 11.0457 11.1390 11.1390 12.2587 12.2587 12.3267 12.3267 k = 0.5000 0.5000 0.1800 ( 6440 PWs) bands (ev): -4.2259 -4.2259 -4.2259 -4.2259 -3.9830 -3.9830 -3.9830 -3.9830 -0.5374 -0.5374 -0.5374 -0.5374 0.1194 0.1194 0.1204 0.1204 3.7645 3.7645 3.7653 3.7653 3.8006 3.8006 3.8012 3.8012 4.4232 4.4232 4.4387 4.4387 4.4799 4.4799 4.4942 4.4942 5.4359 5.4359 5.4823 5.4823 5.5482 5.5482 5.5818 5.5818 5.9656 5.9657 6.0347 6.0347 6.0379 6.0379 6.0692 6.0692 6.2655 6.2655 6.2808 6.2808 6.3300 6.3300 6.3300 6.3300 6.6243 6.6243 6.6329 6.6329 6.7461 6.7461 6.7583 6.7584 6.9874 6.9874 6.9884 6.9884 7.0859 7.0860 7.0973 7.0974 8.1053 8.1053 8.1287 8.1287 8.2931 8.2931 8.3169 8.3169 9.5909 9.5909 9.6191 9.6191 9.7853 9.7853 9.8162 9.8162 10.9269 10.9269 10.9984 10.9984 11.0515 11.0515 11.1529 11.1529 12.2534 12.2534 12.3280 12.3280 k = 0.5000 0.5000 0.2000 ( 6464 PWs) bands (ev): -4.2181 -4.2181 -4.2181 -4.2181 -3.9845 -3.9845 -3.9845 -3.9845 -0.5385 -0.5385 -0.5385 -0.5385 0.0883 0.0883 0.0893 0.0893 3.7634 3.7634 3.7638 3.7638 3.7985 3.7985 3.7996 3.7996 4.4353 4.4353 4.4511 4.4511 4.4861 4.4861 4.5010 4.5010 5.4505 5.4505 5.5017 5.5017 5.5511 5.5511 5.5829 5.5829 5.9772 5.9773 6.0480 6.0480 6.0485 6.0485 6.0850 6.0850 6.2758 6.2758 6.3020 6.3020 6.3446 6.3446 6.3462 6.3462 6.6067 6.6068 6.6113 6.6113 6.7357 6.7357 6.7508 6.7508 7.0107 7.0107 7.0121 7.0121 7.1122 7.1122 7.1136 7.1136 8.1012 8.1013 8.1264 8.1264 8.2733 8.2733 8.2989 8.2990 9.5244 9.5244 9.5511 9.5511 9.7462 9.7462 9.7788 9.7788 10.9771 10.9771 11.0521 11.0522 11.0622 11.0622 11.1706 11.1706 12.2459 12.2459 12.3265 12.3265 k = 0.5000 0.5000 0.2200 ( 6472 PWs) bands (ev): -4.2097 -4.2096 -4.2096 -4.2096 -3.9864 -3.9864 -3.9864 -3.9864 -0.5390 -0.5390 -0.5390 -0.5390 0.0556 0.0556 0.0566 0.0566 3.7622 3.7622 3.7622 3.7622 3.7959 3.7959 3.7976 3.7976 4.4484 4.4484 4.4642 4.4642 4.4931 4.4931 4.5085 4.5085 5.4652 5.4652 5.5213 5.5213 5.5558 5.5558 5.5850 5.5850 5.9889 5.9890 6.0584 6.0584 6.0625 6.0625 6.1005 6.1005 6.2853 6.2853 6.3222 6.3222 6.3562 6.3562 6.3613 6.3613 6.5855 6.5855 6.5876 6.5876 6.7210 6.7210 6.7360 6.7360 7.0409 7.0409 7.0443 7.0443 7.1398 7.1398 7.1501 7.1501 8.0975 8.0975 8.1243 8.1243 8.2528 8.2528 8.2799 8.2799 9.4572 9.4572 9.4825 9.4825 9.7040 9.7040 9.7374 9.7374 11.0111 11.0111 11.0846 11.0846 11.0913 11.0913 11.1967 11.1967 12.2361 12.2361 12.3223 12.3223 k = 0.5000 0.5000 0.2400 ( 6472 PWs) bands (ev): -4.2007 -4.2007 -4.2007 -4.2006 -3.9887 -3.9887 -3.9887 -3.9887 -0.5387 -0.5386 -0.5386 -0.5386 0.0216 0.0216 0.0226 0.0226 3.7604 3.7604 3.7610 3.7610 3.7930 3.7930 3.7953 3.7953 4.4620 4.4620 4.4778 4.4778 4.5010 4.5010 4.5165 4.5165 5.4798 5.4798 5.5408 5.5408 5.5626 5.5626 5.5885 5.5885 6.0004 6.0004 6.0686 6.0686 6.0763 6.0763 6.1155 6.1155 6.2931 6.2931 6.3401 6.3401 6.3638 6.3638 6.3744 6.3744 6.5629 6.5629 6.5643 6.5643 6.7017 6.7017 6.7148 6.7148 7.0786 7.0786 7.0855 7.0855 7.1753 7.1753 7.1975 7.1976 8.0943 8.0943 8.1224 8.1224 8.2320 8.2320 8.2599 8.2599 9.3894 9.3894 9.4134 9.4134 9.6584 9.6584 9.6918 9.6918 11.0269 11.0269 11.1135 11.1135 11.1196 11.1196 11.2321 11.2321 12.2241 12.2241 12.3153 12.3153 k = 0.5000 0.5000 0.2600 ( 6464 PWs) bands (ev): -4.1912 -4.1912 -4.1912 -4.1912 -3.9914 -3.9914 -3.9914 -3.9914 -0.5374 -0.5374 -0.5374 -0.5373 -0.0133 -0.0133 -0.0123 -0.0123 3.7585 3.7585 3.7598 3.7598 3.7897 3.7897 3.7926 3.7926 4.4761 4.4761 4.4916 4.4916 4.5096 4.5096 4.5250 4.5250 5.4940 5.4940 5.5597 5.5597 5.5717 5.5717 5.5941 5.5941 6.0112 6.0112 6.0786 6.0786 6.0896 6.0896 6.1298 6.1298 6.2979 6.2979 6.3535 6.3535 6.3671 6.3671 6.3857 6.3857 6.5421 6.5421 6.5438 6.5438 6.6785 6.6785 6.6891 6.6891 7.1235 7.1235 7.1346 7.1346 7.2188 7.2188 7.2528 7.2528 8.0918 8.0918 8.1209 8.1209 8.2115 8.2115 8.2396 8.2396 9.3210 9.3210 9.3438 9.3438 9.6092 9.6092 9.6418 9.6418 11.0341 11.0341 11.1242 11.1242 11.1569 11.1569 11.2703 11.2703 12.2106 12.2106 12.3060 12.3060 k = 0.5000 0.5000 0.2800 ( 6464 PWs) bands (ev): -4.1813 -4.1813 -4.1813 -4.1813 -3.9945 -3.9945 -3.9945 -3.9945 -0.5350 -0.5350 -0.5349 -0.5349 -0.0488 -0.0488 -0.0478 -0.0478 3.7566 3.7566 3.7586 3.7586 3.7862 3.7862 3.7896 3.7896 4.4901 4.4901 4.5054 4.5054 4.5188 4.5188 4.5337 4.5337 5.5076 5.5076 5.5765 5.5765 5.5831 5.5831 5.6030 5.6030 6.0211 6.0211 6.0879 6.0879 6.1020 6.1020 6.1431 6.1431 6.2976 6.2977 6.3584 6.3584 6.3670 6.3670 6.3962 6.3962 6.5262 6.5262 6.5282 6.5282 6.6526 6.6526 6.6609 6.6609 7.1748 7.1748 7.1901 7.1901 7.2686 7.2686 7.3143 7.3143 8.0901 8.0901 8.1201 8.1202 8.1920 8.1920 8.2193 8.2193 9.2522 9.2522 9.2738 9.2738 9.5563 9.5563 9.5874 9.5874 11.0383 11.0384 11.1288 11.1288 11.1900 11.1900 11.3050 11.3050 12.1963 12.1963 12.2948 12.2948 k = 0.5000 0.5000 0.3000 ( 6464 PWs) bands (ev): -4.1710 -4.1710 -4.1710 -4.1710 -3.9982 -3.9982 -3.9982 -3.9982 -0.5313 -0.5313 -0.5312 -0.5312 -0.0845 -0.0845 -0.0836 -0.0836 3.7546 3.7546 3.7574 3.7574 3.7826 3.7826 3.7865 3.7865 4.5038 4.5038 4.5190 4.5190 4.5285 4.5285 4.5426 4.5426 5.5206 5.5206 5.5900 5.5900 5.5965 5.5965 5.6166 5.6166 6.0297 6.0298 6.0961 6.0961 6.1128 6.1128 6.1552 6.1552 6.2905 6.2905 6.3528 6.3528 6.3653 6.3653 6.4064 6.4064 6.5173 6.5173 6.5179 6.5179 6.6258 6.6258 6.6323 6.6323 7.2314 7.2314 7.2503 7.2503 7.3231 7.3231 7.3807 7.3807 8.0893 8.0893 8.1200 8.1200 8.1747 8.1747 8.2000 8.2000 9.1833 9.1833 9.2036 9.2036 9.4995 9.4995 9.5285 9.5285 11.0417 11.0417 11.1301 11.1302 11.2165 11.2165 11.3328 11.3328 12.1825 12.1825 12.2825 12.2825 k = 0.5000 0.5000 0.3200 ( 6472 PWs) bands (ev): -4.1605 -4.1605 -4.1605 -4.1605 -4.0023 -4.0023 -4.0023 -4.0023 -0.5261 -0.5261 -0.5260 -0.5260 -0.1202 -0.1202 -0.1193 -0.1193 3.7527 3.7527 3.7564 3.7564 3.7788 3.7788 3.7831 3.7831 4.5168 4.5168 4.5320 4.5320 4.5386 4.5386 4.5515 4.5515 5.5332 5.5332 5.6012 5.6012 5.6116 5.6116 5.6336 5.6336 6.0368 6.0369 6.1028 6.1028 6.1212 6.1212 6.1661 6.1661 6.2768 6.2768 6.3390 6.3390 6.3634 6.3635 6.4142 6.4142 6.5118 6.5118 6.5150 6.5150 6.6000 6.6000 6.6054 6.6054 7.2916 7.2916 7.3136 7.3136 7.3807 7.3807 7.4507 7.4507 8.0886 8.0886 8.1198 8.1198 8.1616 8.1616 8.1833 8.1833 9.1144 9.1144 9.1336 9.1336 9.4388 9.4388 9.4651 9.4651 11.0452 11.0452 11.1298 11.1298 11.2355 11.2355 11.3518 11.3518 12.1704 12.1704 12.2699 12.2699 k = 0.5000 0.5000 0.3400 ( 6472 PWs) bands (ev): -4.1497 -4.1497 -4.1497 -4.1497 -4.0071 -4.0071 -4.0071 -4.0071 -0.5194 -0.5194 -0.5193 -0.5193 -0.1555 -0.1555 -0.1547 -0.1547 3.7508 3.7508 3.7555 3.7555 3.7752 3.7752 3.7798 3.7798 4.5290 4.5290 4.5444 4.5444 4.5487 4.5487 4.5602 4.5602 5.5457 5.5457 5.6120 5.6120 5.6278 5.6278 5.6519 5.6519 6.0422 6.0422 6.1074 6.1075 6.1260 6.1260 6.1754 6.1755 6.2600 6.2600 6.3215 6.3215 6.3606 6.3606 6.4172 6.4172 6.5079 6.5079 6.5172 6.5172 6.5778 6.5778 6.5824 6.5825 7.3539 7.3539 7.3780 7.3781 7.4394 7.4394 7.5231 7.5231 8.0867 8.0868 8.1173 8.1174 8.1554 8.1554 8.1724 8.1724 9.0464 9.0464 9.0644 9.0644 9.3743 9.3743 9.3976 9.3976 11.0494 11.0494 11.1289 11.1289 11.2466 11.2466 11.3619 11.3619 12.1607 12.1607 12.2578 12.2578 k = 0.5000 0.5000 0.3600 ( 6468 PWs) bands (ev): -4.1389 -4.1389 -4.1389 -4.1389 -4.0124 -4.0124 -4.0124 -4.0124 -0.5109 -0.5109 -0.5108 -0.5107 -0.1902 -0.1902 -0.1894 -0.1894 3.7492 3.7492 3.7548 3.7548 3.7717 3.7717 3.7764 3.7764 4.5400 4.5400 4.5559 4.5559 4.5587 4.5587 4.5684 4.5684 5.5582 5.5582 5.6234 5.6235 5.6444 5.6444 5.6699 5.6700 6.0456 6.0456 6.1094 6.1095 6.1256 6.1256 6.1833 6.1833 6.2444 6.2444 6.3042 6.3042 6.3551 6.3551 6.4132 6.4132 6.5044 6.5044 6.5218 6.5218 6.5618 6.5618 6.5657 6.5657 7.4164 7.4164 7.4418 7.4418 7.4972 7.4972 7.5965 7.5965 8.0833 8.0833 8.1099 8.1099 8.1582 8.1582 8.1710 8.1710 8.9801 8.9801 8.9970 8.9970 9.3061 9.3061 9.3262 9.3262 11.0549 11.0549 11.1282 11.1282 11.2502 11.2502 11.3632 11.3632 12.1541 12.1541 12.2471 12.2471 k = 0.5000 0.5000 0.3800 ( 6464 PWs) bands (ev): -4.1280 -4.1280 -4.1280 -4.1279 -4.0183 -4.0183 -4.0183 -4.0183 -0.5006 -0.5006 -0.5004 -0.5004 -0.2239 -0.2239 -0.2232 -0.2232 3.7476 3.7477 3.7543 3.7543 3.7684 3.7684 3.7731 3.7731 4.5498 4.5498 4.5663 4.5663 4.5682 4.5682 4.5761 4.5761 5.5708 5.5708 5.6359 5.6359 5.6607 5.6607 5.6868 5.6868 6.0472 6.0472 6.1084 6.1084 6.1188 6.1188 6.1899 6.1899 6.2329 6.2329 6.2899 6.2899 6.3463 6.3463 6.4016 6.4016 6.5006 6.5007 6.5273 6.5273 6.5530 6.5530 6.5558 6.5558 7.4768 7.4768 7.5025 7.5025 7.5518 7.5518 7.6695 7.6695 8.0802 8.0802 8.0987 8.0987 8.1694 8.1694 8.1787 8.1787 8.9171 8.9171 8.9328 8.9329 9.2349 9.2349 9.2517 9.2517 11.0621 11.0621 11.1285 11.1285 11.2470 11.2470 11.3572 11.3572 12.1503 12.1503 12.2383 12.2383 k = 0.5000 0.5000 0.4000 ( 6472 PWs) bands (ev): -4.1171 -4.1171 -4.1171 -4.1171 -4.0248 -4.0248 -4.0248 -4.0248 -0.4883 -0.4883 -0.4881 -0.4881 -0.2566 -0.2566 -0.2559 -0.2559 3.7464 3.7464 3.7541 3.7541 3.7654 3.7655 3.7699 3.7699 4.5583 4.5583 4.5754 4.5754 4.5768 4.5768 4.5828 4.5829 5.5833 5.5833 5.6492 5.6492 5.6759 5.6759 5.7015 5.7015 6.0471 6.0471 6.1042 6.1043 6.1068 6.1068 6.1952 6.1952 6.2259 6.2259 6.2802 6.2802 6.3346 6.3346 6.3842 6.3843 6.4973 6.4973 6.5330 6.5330 6.5499 6.5499 6.5514 6.5515 7.5329 7.5329 7.5578 7.5578 7.6007 7.6007 7.7405 7.7405 8.0807 8.0807 8.0873 8.0873 8.1864 8.1864 8.1916 8.1916 8.8600 8.8600 8.8745 8.8745 9.1613 9.1613 9.1750 9.1750 11.0712 11.0712 11.1301 11.1301 11.2379 11.2379 11.3456 11.3456 12.1488 12.1488 12.2317 12.2317 k = 0.5000 0.5000 0.4200 ( 6468 PWs) bands (ev): -4.1063 -4.1063 -4.1063 -4.1063 -4.0319 -4.0319 -4.0319 -4.0319 -0.4741 -0.4741 -0.4738 -0.4738 -0.2879 -0.2879 -0.2873 -0.2873 3.7453 3.7453 3.7542 3.7542 3.7629 3.7629 3.7670 3.7670 4.5654 4.5654 4.5831 4.5831 4.5843 4.5843 4.5886 4.5886 5.5953 5.5953 5.6632 5.6632 5.6893 5.6893 5.7130 5.7130 6.0465 6.0465 6.0926 6.0926 6.0974 6.0974 6.1997 6.1997 6.2212 6.2212 6.2755 6.2755 6.3221 6.3221 6.3643 6.3643 6.4953 6.4953 6.5385 6.5385 6.5500 6.5500 6.5503 6.5503 7.5823 7.5823 7.6053 7.6053 7.6415 7.6415 7.8073 7.8073 8.0791 8.0791 8.0881 8.0881 8.2051 8.2051 8.2055 8.2055 8.8129 8.8129 8.8258 8.8258 9.0867 9.0867 9.0975 9.0975 11.0825 11.0825 11.1332 11.1332 11.2243 11.2243 11.3306 11.3306 12.1488 12.1488 12.2272 12.2272 k = 0.5000 0.5000 0.4400 ( 6460 PWs) bands (ev): -4.0957 -4.0957 -4.0957 -4.0957 -4.0396 -4.0396 -4.0395 -4.0395 -0.4578 -0.4578 -0.4575 -0.4575 -0.3177 -0.3177 -0.3171 -0.3171 3.7445 3.7445 3.7546 3.7546 3.7608 3.7608 3.7643 3.7643 4.5710 4.5710 4.5893 4.5894 4.5904 4.5904 4.5932 4.5932 5.6062 5.6062 5.6774 5.6774 5.7001 5.7001 5.7204 5.7204 6.0465 6.0465 6.0792 6.0792 6.0887 6.0887 6.2032 6.2032 6.2170 6.2170 6.2754 6.2754 6.3109 6.3109 6.3443 6.3443 6.4945 6.4945 6.5434 6.5434 6.5506 6.5506 6.5513 6.5513 7.6236 7.6236 7.6434 7.6434 7.6719 7.6719 7.8662 7.8662 8.0774 8.0774 8.1044 8.1044 8.2147 8.2147 8.2199 8.2199 8.7813 8.7813 8.7922 8.7922 9.0126 9.0126 9.0209 9.0209 11.0961 11.0961 11.1377 11.1377 11.2073 11.2073 11.3146 11.3146 12.1496 12.1496 12.2248 12.2248 k = 0.5000 0.5000 0.4600 ( 6484 PWs) bands (ev): -4.0854 -4.0854 -4.0854 -4.0854 -4.0478 -4.0478 -4.0478 -4.0478 -0.4394 -0.4394 -0.4391 -0.4391 -0.3458 -0.3458 -0.3453 -0.3453 3.7440 3.7440 3.7554 3.7554 3.7592 3.7592 3.7618 3.7618 4.5751 4.5751 4.5940 4.5940 4.5948 4.5948 4.5964 4.5964 5.6150 5.6150 5.6912 5.6912 5.7079 5.7079 5.7230 5.7230 6.0483 6.0483 6.0687 6.0687 6.0788 6.0788 6.2056 6.2056 6.2128 6.2128 6.2790 6.2791 6.3027 6.3027 6.3257 6.3257 6.4944 6.4944 6.5474 6.5474 6.5513 6.5513 6.5524 6.5524 7.6558 7.6558 7.6709 7.6709 7.6904 7.6904 7.9112 7.9112 8.0866 8.0866 8.1294 8.1294 8.2135 8.2135 8.2243 8.2243 8.7712 8.7712 8.7798 8.7798 8.9415 8.9415 8.9479 8.9479 11.1117 11.1117 11.1426 11.1426 11.1882 11.1882 11.3001 11.3001 12.1507 12.1507 12.2244 12.2244 k = 0.5000 0.5000 0.4800 ( 6488 PWs) bands (ev): -4.0754 -4.0754 -4.0753 -4.0753 -4.0565 -4.0565 -4.0565 -4.0565 -0.4190 -0.4190 -0.4187 -0.4187 -0.3722 -0.3722 -0.3717 -0.3717 3.7437 3.7437 3.7565 3.7565 3.7582 3.7582 3.7597 3.7597 4.5776 4.5776 4.5970 4.5970 4.5975 4.5975 4.5982 4.5982 5.6209 5.6209 5.7038 5.7038 5.7125 5.7125 5.7207 5.7207 6.0527 6.0528 6.0621 6.0621 6.0689 6.0689 6.2065 6.2065 6.2101 6.2101 6.2862 6.2862 6.2980 6.2980 6.3097 6.3097 6.4946 6.4946 6.5503 6.5504 6.5519 6.5519 6.5528 6.5528 7.6789 7.6789 7.6874 7.6874 7.6970 7.6971 7.9370 7.9370 8.1066 8.1066 8.1601 8.1601 8.2011 8.2011 8.2141 8.2141 8.7855 8.7855 8.7922 8.7923 8.8768 8.8768 8.8820 8.8820 11.1293 11.1293 11.1467 11.1467 11.1682 11.1682 11.2897 11.2897 12.1515 12.1515 12.2256 12.2256 k = 0.5000 0.5000 0.5000 ( 6488 PWs) bands (ev): -4.0657 -4.0657 -4.0657 -4.0657 -4.0657 -4.0657 -4.0657 -4.0657 -0.3966 -0.3966 -0.3966 -0.3966 -0.3966 -0.3966 -0.3958 -0.3958 3.7435 3.7435 3.7579 3.7579 3.7579 3.7579 3.7579 3.7579 4.5784 4.5784 4.5984 4.5984 4.5984 4.5984 4.5984 4.5984 5.6230 5.6230 5.7140 5.7140 5.7140 5.7140 5.7140 5.7140 6.0599 6.0599 6.0599 6.0599 6.0599 6.0599 6.2062 6.2062 6.2096 6.2096 6.2964 6.2964 6.2964 6.2964 6.2964 6.2964 6.4947 6.4947 6.5522 6.5522 6.5522 6.5522 6.5522 6.5522 7.6929 7.6929 7.6929 7.6929 7.6929 7.6929 7.9448 7.9448 8.1204 8.1204 8.1907 8.1907 8.1907 8.1907 8.1907 8.1907 8.8173 8.8173 8.8281 8.8281 8.8281 8.8281 8.8281 8.8281 11.1483 11.1483 11.1483 11.1483 11.1483 11.1483 11.2859 11.2859 12.1518 12.1518 12.2285 12.2285 Writing output data file SbPdSe.save init_run : 5.38s CPU 11.98s WALL ( 1 calls) electrons : 1509.48s CPU 1521.75s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.60s CPU 1.48s WALL ( 1 calls) Called by electrons: c_bands : 1509.41s CPU 1521.49s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.87s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.13s CPU 0.60s WALL ( 1 calls) newd : 1.49s CPU 1.67s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.19s WALL ( 197 calls) cegterg : 1423.34s CPU 1432.55s WALL ( 437 calls) Called by sum_band: Called by *egterg: h_psi : 445.23s CPU 452.68s WALL ( 7797 calls) s_psi : 90.26s CPU 90.36s WALL ( 7797 calls) g_psi : 1.20s CPU 1.21s WALL ( 7163 calls) cdiaghg : 681.34s CPU 681.26s WALL ( 7360 calls) cegterg:over : 122.69s CPU 121.67s WALL ( 7163 calls) cegterg:upda : 43.48s CPU 44.41s WALL ( 7163 calls) cegterg:last : 34.69s CPU 34.96s WALL ( 1222 calls) Called by h_psi: h_psi:vloc : 274.94s CPU 279.58s WALL ( 7797 calls) h_psi:vnl : 169.58s CPU 171.73s WALL ( 7797 calls) add_vuspsi : 70.35s CPU 73.77s WALL ( 7797 calls) General routines calbec : 99.20s CPU 97.87s WALL ( 7797 calls) fft : 0.56s CPU 1.27s WALL ( 19 calls) ffts : 0.08s CPU 0.08s WALL ( 4 calls) fftw : 249.46s CPU 251.53s WALL ( 1400476 calls) interpolate : 0.20s CPU 0.20s WALL ( 4 calls) davcio : 0.03s CPU 2.00s WALL ( 394 calls) Parallel routines fft_scatter : 176.26s CPU 172.96s WALL ( 1400499 calls) PWSCF : 26m27.34s CPU 28m53.92s WALL This run was terminated on: 7:49:44 8Dec2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=