Program PWSCF v.5.1.1 starts on 16Jul2015 at 16:36:28 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./FeSe2.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 36 28 8 1280 866 140 Max 37 29 9 1285 878 144 Sum 1157 899 267 41009 27881 4555 bravais-lattice index = 14 lattice parameter (alat) = 6.7558 a.u. unit-cell volume = 660.5641 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 6.755770 celldm(2)= 1.340140 celldm(3)= 1.598601 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 1.340140 0.000000 ) a(3) = ( 0.000000 0.000000 1.598601 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.746191 -0.000000 ) b(3) = ( 0.000000 0.000000 0.625547 ) PseudoPot. # 1 for Fe read from file: /home/autes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /home/autes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Fe 8.00 55.84500 Fe( 1.00) Se 6.00 78.96000 Se( 1.00) 4 Sym. Ops., with inversion, found (note: 4 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 = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 432 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 2) = ( 0.0113636 -0.0000000 -0.0000000), wk = 0.0023148 k( 3) = ( 0.0227273 -0.0000000 -0.0000000), wk = 0.0023148 k( 4) = ( 0.0340909 -0.0000000 -0.0000000), wk = 0.0023148 k( 5) = ( 0.0454546 -0.0000000 -0.0000000), wk = 0.0023148 k( 6) = ( 0.0568182 -0.0000000 -0.0000000), wk = 0.0023148 k( 7) = ( 0.0681818 -0.0000000 -0.0000000), wk = 0.0023148 k( 8) = ( 0.0795455 -0.0000000 -0.0000000), wk = 0.0023148 k( 9) = ( 0.0909091 -0.0000000 -0.0000000), wk = 0.0023148 k( 10) = ( 0.1022727 -0.0000000 -0.0000000), wk = 0.0023148 k( 11) = ( 0.1136364 -0.0000000 -0.0000000), wk = 0.0023148 k( 12) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0023148 k( 13) = ( 0.1363636 -0.0000000 -0.0000000), wk = 0.0023148 k( 14) = ( 0.1477273 -0.0000000 -0.0000000), wk = 0.0023148 k( 15) = ( 0.1590909 -0.0000000 -0.0000000), wk = 0.0023148 k( 16) = ( 0.1704546 -0.0000000 -0.0000000), wk = 0.0023148 k( 17) = ( 0.1818182 -0.0000000 -0.0000000), wk = 0.0023148 k( 18) = ( 0.1931818 -0.0000000 -0.0000000), wk = 0.0023148 k( 19) = ( 0.2045454 -0.0000000 -0.0000000), wk = 0.0023148 k( 20) = ( 0.2159091 -0.0000000 -0.0000000), wk = 0.0023148 k( 21) = ( 0.2272727 -0.0000000 -0.0000000), wk = 0.0023148 k( 22) = ( 0.2386364 -0.0000000 -0.0000000), wk = 0.0023148 k( 23) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0023148 k( 24) = ( 0.2613636 -0.0000000 -0.0000000), wk = 0.0023148 k( 25) = ( 0.2727273 -0.0000000 -0.0000000), wk = 0.0023148 k( 26) = ( 0.2840909 -0.0000000 -0.0000000), wk = 0.0023148 k( 27) = ( 0.2954545 -0.0000000 -0.0000000), wk = 0.0023148 k( 28) = ( 0.3068182 -0.0000000 -0.0000000), wk = 0.0023148 k( 29) = ( 0.3181818 -0.0000000 -0.0000000), wk = 0.0023148 k( 30) = ( 0.3295455 -0.0000000 -0.0000000), wk = 0.0023148 k( 31) = ( 0.3409091 -0.0000000 -0.0000000), wk = 0.0023148 k( 32) = ( 0.3522727 -0.0000000 -0.0000000), wk = 0.0023148 k( 33) = ( 0.3636364 -0.0000000 -0.0000000), wk = 0.0023148 k( 34) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0023148 k( 35) = ( 0.3863636 -0.0000000 -0.0000000), wk = 0.0023148 k( 36) = ( 0.3977273 -0.0000000 -0.0000000), wk = 0.0023148 k( 37) = ( 0.4090909 -0.0000000 -0.0000000), wk = 0.0023148 k( 38) = ( 0.4204545 -0.0000000 -0.0000000), wk = 0.0023148 k( 39) = ( 0.4318182 -0.0000000 -0.0000000), wk = 0.0023148 k( 40) = ( 0.4431818 -0.0000000 -0.0000000), wk = 0.0023148 k( 41) = ( 0.4545455 -0.0000000 -0.0000000), wk = 0.0023148 k( 42) = ( 0.4659091 -0.0000000 -0.0000000), wk = 0.0023148 k( 43) = ( 0.4772727 -0.0000000 -0.0000000), wk = 0.0023148 k( 44) = ( 0.4886364 -0.0000000 -0.0000000), wk = 0.0023148 k( 45) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023148 k( 46) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023148 k( 47) = ( 0.5000000 0.0113059 -0.0000000), wk = 0.0023148 k( 48) = ( 0.5000000 0.0226118 -0.0000000), wk = 0.0023148 k( 49) = ( 0.5000000 0.0339178 -0.0000000), wk = 0.0023148 k( 50) = ( 0.5000000 0.0452237 -0.0000000), wk = 0.0023148 k( 51) = ( 0.5000000 0.0565296 -0.0000000), wk = 0.0023148 k( 52) = ( 0.5000000 0.0678355 -0.0000000), wk = 0.0023148 k( 53) = ( 0.5000000 0.0791414 -0.0000000), wk = 0.0023148 k( 54) = ( 0.5000000 0.0904474 -0.0000000), wk = 0.0023148 k( 55) = ( 0.5000000 0.1017533 -0.0000000), wk = 0.0023148 k( 56) = ( 0.5000000 0.1130592 -0.0000000), wk = 0.0023148 k( 57) = ( 0.5000000 0.1243651 -0.0000000), wk = 0.0023148 k( 58) = ( 0.5000000 0.1356710 -0.0000000), wk = 0.0023148 k( 59) = ( 0.5000000 0.1469770 -0.0000000), wk = 0.0023148 k( 60) = ( 0.5000000 0.1582829 -0.0000000), wk = 0.0023148 k( 61) = ( 0.5000000 0.1695888 -0.0000000), wk = 0.0023148 k( 62) = ( 0.5000000 0.1808947 -0.0000000), wk = 0.0023148 k( 63) = ( 0.5000000 0.1922007 -0.0000000), wk = 0.0023148 k( 64) = ( 0.5000000 0.2035066 -0.0000000), wk = 0.0023148 k( 65) = ( 0.5000000 0.2148125 -0.0000000), wk = 0.0023148 k( 66) = ( 0.5000000 0.2261184 -0.0000000), wk = 0.0023148 k( 67) = ( 0.5000000 0.2374243 -0.0000000), wk = 0.0023148 k( 68) = ( 0.5000000 0.2487303 -0.0000000), wk = 0.0023148 k( 69) = ( 0.5000000 0.2600362 -0.0000000), wk = 0.0023148 k( 70) = ( 0.5000000 0.2713421 -0.0000000), wk = 0.0023148 k( 71) = ( 0.5000000 0.2826480 -0.0000000), wk = 0.0023148 k( 72) = ( 0.5000000 0.2939539 -0.0000000), wk = 0.0023148 k( 73) = ( 0.5000000 0.3052599 -0.0000000), wk = 0.0023148 k( 74) = ( 0.5000000 0.3165658 -0.0000000), wk = 0.0023148 k( 75) = ( 0.5000000 0.3278717 -0.0000000), wk = 0.0023148 k( 76) = ( 0.5000000 0.3391776 -0.0000000), wk = 0.0023148 k( 77) = ( 0.5000000 0.3504835 -0.0000000), wk = 0.0023148 k( 78) = ( 0.5000000 0.3617895 -0.0000000), wk = 0.0023148 k( 79) = ( 0.5000000 0.3730954 -0.0000000), wk = 0.0023148 k( 80) = ( 0.5000000 0.3730954 -0.0000000), wk = 0.0023148 k( 81) = ( 0.4886364 0.3730954 -0.0000000), wk = 0.0023148 k( 82) = ( 0.4772727 0.3730954 -0.0000000), wk = 0.0023148 k( 83) = ( 0.4659091 0.3730954 -0.0000000), wk = 0.0023148 k( 84) = ( 0.4545455 0.3730954 -0.0000000), wk = 0.0023148 k( 85) = ( 0.4431818 0.3730954 -0.0000000), wk = 0.0023148 k( 86) = ( 0.4318182 0.3730954 -0.0000000), wk = 0.0023148 k( 87) = ( 0.4204545 0.3730954 -0.0000000), wk = 0.0023148 k( 88) = ( 0.4090909 0.3730954 -0.0000000), wk = 0.0023148 k( 89) = ( 0.3977273 0.3730954 -0.0000000), wk = 0.0023148 k( 90) = ( 0.3863636 0.3730954 -0.0000000), wk = 0.0023148 k( 91) = ( 0.3750000 0.3730954 -0.0000000), wk = 0.0023148 k( 92) = ( 0.3636364 0.3730954 -0.0000000), wk = 0.0023148 k( 93) = ( 0.3522727 0.3730954 -0.0000000), wk = 0.0023148 k( 94) = ( 0.3409091 0.3730954 -0.0000000), wk = 0.0023148 k( 95) = ( 0.3295455 0.3730954 -0.0000000), wk = 0.0023148 k( 96) = ( 0.3181818 0.3730954 -0.0000000), wk = 0.0023148 k( 97) = ( 0.3068182 0.3730954 -0.0000000), wk = 0.0023148 k( 98) = ( 0.2954545 0.3730954 -0.0000000), wk = 0.0023148 k( 99) = ( 0.2840909 0.3730954 -0.0000000), wk = 0.0023148 k( 100) = ( 0.2727273 0.3730954 -0.0000000), wk = 0.0023148 k( 101) = ( 0.2613636 0.3730954 -0.0000000), wk = 0.0023148 k( 102) = ( 0.2500000 0.3730954 -0.0000000), wk = 0.0023148 k( 103) = ( 0.2386364 0.3730954 -0.0000000), wk = 0.0023148 k( 104) = ( 0.2272727 0.3730954 -0.0000000), wk = 0.0023148 k( 105) = ( 0.2159091 0.3730954 -0.0000000), wk = 0.0023148 k( 106) = ( 0.2045454 0.3730954 -0.0000000), wk = 0.0023148 k( 107) = ( 0.1931818 0.3730954 -0.0000000), wk = 0.0023148 k( 108) = ( 0.1818182 0.3730954 -0.0000000), wk = 0.0023148 k( 109) = ( 0.1704546 0.3730954 -0.0000000), wk = 0.0023148 k( 110) = ( 0.1590909 0.3730954 -0.0000000), wk = 0.0023148 k( 111) = ( 0.1477273 0.3730954 -0.0000000), wk = 0.0023148 k( 112) = ( 0.1363636 0.3730954 -0.0000000), wk = 0.0023148 k( 113) = ( 0.1250000 0.3730954 -0.0000000), wk = 0.0023148 k( 114) = ( 0.1136364 0.3730954 -0.0000000), wk = 0.0023148 k( 115) = ( 0.1022727 0.3730954 -0.0000000), wk = 0.0023148 k( 116) = ( 0.0909091 0.3730954 -0.0000000), wk = 0.0023148 k( 117) = ( 0.0795455 0.3730954 -0.0000000), wk = 0.0023148 k( 118) = ( 0.0681818 0.3730954 -0.0000000), wk = 0.0023148 k( 119) = ( 0.0568182 0.3730954 -0.0000000), wk = 0.0023148 k( 120) = ( 0.0454546 0.3730954 -0.0000000), wk = 0.0023148 k( 121) = ( 0.0340909 0.3730954 -0.0000000), wk = 0.0023148 k( 122) = ( 0.0227273 0.3730954 -0.0000000), wk = 0.0023148 k( 123) = ( 0.0113636 0.3730954 -0.0000000), wk = 0.0023148 k( 124) = ( 0.0000000 0.3730954 -0.0000000), wk = 0.0023148 k( 125) = ( 0.0000000 0.3730954 -0.0000000), wk = 0.0023148 k( 126) = ( 0.0000000 0.3617895 -0.0000000), wk = 0.0023148 k( 127) = ( 0.0000000 0.3504835 -0.0000000), wk = 0.0023148 k( 128) = ( 0.0000000 0.3391776 -0.0000000), wk = 0.0023148 k( 129) = ( 0.0000000 0.3278717 -0.0000000), wk = 0.0023148 k( 130) = ( 0.0000000 0.3165658 -0.0000000), wk = 0.0023148 k( 131) = ( 0.0000000 0.3052599 -0.0000000), wk = 0.0023148 k( 132) = ( 0.0000000 0.2939539 -0.0000000), wk = 0.0023148 k( 133) = ( 0.0000000 0.2826480 -0.0000000), wk = 0.0023148 k( 134) = ( 0.0000000 0.2713421 -0.0000000), wk = 0.0023148 k( 135) = ( 0.0000000 0.2600362 -0.0000000), wk = 0.0023148 k( 136) = ( 0.0000000 0.2487303 -0.0000000), wk = 0.0023148 k( 137) = ( 0.0000000 0.2374243 -0.0000000), wk = 0.0023148 k( 138) = ( 0.0000000 0.2261184 -0.0000000), wk = 0.0023148 k( 139) = ( 0.0000000 0.2148125 -0.0000000), wk = 0.0023148 k( 140) = ( 0.0000000 0.2035066 -0.0000000), wk = 0.0023148 k( 141) = ( 0.0000000 0.1922007 -0.0000000), wk = 0.0023148 k( 142) = ( 0.0000000 0.1808947 -0.0000000), wk = 0.0023148 k( 143) = ( 0.0000000 0.1695888 -0.0000000), wk = 0.0023148 k( 144) = ( 0.0000000 0.1582829 -0.0000000), wk = 0.0023148 k( 145) = ( 0.0000000 0.1469770 -0.0000000), wk = 0.0023148 k( 146) = ( 0.0000000 0.1356710 -0.0000000), wk = 0.0023148 k( 147) = ( 0.0000000 0.1243651 -0.0000000), wk = 0.0023148 k( 148) = ( 0.0000000 0.1130592 -0.0000000), wk = 0.0023148 k( 149) = ( 0.0000000 0.1017533 -0.0000000), wk = 0.0023148 k( 150) = ( 0.0000000 0.0904474 -0.0000000), wk = 0.0023148 k( 151) = ( 0.0000000 0.0791414 -0.0000000), wk = 0.0023148 k( 152) = ( 0.0000000 0.0678355 -0.0000000), wk = 0.0023148 k( 153) = ( 0.0000000 0.0565296 -0.0000000), wk = 0.0023148 k( 154) = ( 0.0000000 0.0452237 -0.0000000), wk = 0.0023148 k( 155) = ( 0.0000000 0.0339178 -0.0000000), wk = 0.0023148 k( 156) = ( 0.0000000 0.0226118 -0.0000000), wk = 0.0023148 k( 157) = ( 0.0000000 0.0113059 -0.0000000), wk = 0.0023148 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 160) = ( 0.0000000 0.0000000 0.0111705), wk = 0.0023148 k( 161) = ( 0.0000000 0.0000000 0.0223410), wk = 0.0023148 k( 162) = ( 0.0000000 0.0000000 0.0335114), wk = 0.0023148 k( 163) = ( 0.0000000 0.0000000 0.0446819), wk = 0.0023148 k( 164) = ( 0.0000000 0.0000000 0.0558524), wk = 0.0023148 k( 165) = ( 0.0000000 0.0000000 0.0670229), wk = 0.0023148 k( 166) = ( 0.0000000 0.0000000 0.0781934), wk = 0.0023148 k( 167) = ( 0.0000000 0.0000000 0.0893638), wk = 0.0023148 k( 168) = ( 0.0000000 0.0000000 0.1005343), wk = 0.0023148 k( 169) = ( 0.0000000 0.0000000 0.1117048), wk = 0.0023148 k( 170) = ( 0.0000000 0.0000000 0.1228753), wk = 0.0023148 k( 171) = ( 0.0000000 0.0000000 0.1340457), wk = 0.0023148 k( 172) = ( 0.0000000 0.0000000 0.1452162), wk = 0.0023148 k( 173) = ( 0.0000000 0.0000000 0.1563867), wk = 0.0023148 k( 174) = ( 0.0000000 0.0000000 0.1675572), wk = 0.0023148 k( 175) = ( 0.0000000 0.0000000 0.1787277), wk = 0.0023148 k( 176) = ( 0.0000000 0.0000000 0.1898981), wk = 0.0023148 k( 177) = ( 0.0000000 0.0000000 0.2010686), wk = 0.0023148 k( 178) = ( 0.0000000 0.0000000 0.2122391), wk = 0.0023148 k( 179) = ( 0.0000000 0.0000000 0.2234096), wk = 0.0023148 k( 180) = ( 0.0000000 0.0000000 0.2345801), wk = 0.0023148 k( 181) = ( 0.0000000 0.0000000 0.2457505), wk = 0.0023148 k( 182) = ( 0.0000000 0.0000000 0.2569210), wk = 0.0023148 k( 183) = ( 0.0000000 0.0000000 0.2680915), wk = 0.0023148 k( 184) = ( 0.0000000 0.0000000 0.2792620), wk = 0.0023148 k( 185) = ( 0.0000000 0.0000000 0.2904324), wk = 0.0023148 k( 186) = ( 0.0000000 0.0000000 0.3016029), wk = 0.0023148 k( 187) = ( 0.0000000 0.0000000 0.3127734), wk = 0.0023148 k( 188) = ( 0.0000000 0.0000000 0.3127734), wk = 0.0023148 k( 189) = ( 0.0113636 -0.0000000 0.3127734), wk = 0.0023148 k( 190) = ( 0.0227273 -0.0000000 0.3127734), wk = 0.0023148 k( 191) = ( 0.0340909 -0.0000000 0.3127734), wk = 0.0023148 k( 192) = ( 0.0454546 -0.0000000 0.3127734), wk = 0.0023148 k( 193) = ( 0.0568182 -0.0000000 0.3127734), wk = 0.0023148 k( 194) = ( 0.0681818 -0.0000000 0.3127734), wk = 0.0023148 k( 195) = ( 0.0795455 -0.0000000 0.3127734), wk = 0.0023148 k( 196) = ( 0.0909091 -0.0000000 0.3127734), wk = 0.0023148 k( 197) = ( 0.1022727 -0.0000000 0.3127734), wk = 0.0023148 k( 198) = ( 0.1136364 -0.0000000 0.3127734), wk = 0.0023148 k( 199) = ( 0.1250000 -0.0000000 0.3127734), wk = 0.0023148 k( 200) = ( 0.1363636 -0.0000000 0.3127734), wk = 0.0023148 k( 201) = ( 0.1477273 -0.0000000 0.3127734), wk = 0.0023148 k( 202) = ( 0.1590909 -0.0000000 0.3127734), wk = 0.0023148 k( 203) = ( 0.1704546 -0.0000000 0.3127734), wk = 0.0023148 k( 204) = ( 0.1818182 -0.0000000 0.3127734), wk = 0.0023148 k( 205) = ( 0.1931818 -0.0000000 0.3127734), wk = 0.0023148 k( 206) = ( 0.2045454 -0.0000000 0.3127734), wk = 0.0023148 k( 207) = ( 0.2159091 -0.0000000 0.3127734), wk = 0.0023148 k( 208) = ( 0.2272727 -0.0000000 0.3127734), wk = 0.0023148 k( 209) = ( 0.2386364 -0.0000000 0.3127734), wk = 0.0023148 k( 210) = ( 0.2500000 -0.0000000 0.3127734), wk = 0.0023148 k( 211) = ( 0.2613636 -0.0000000 0.3127734), wk = 0.0023148 k( 212) = ( 0.2727273 -0.0000000 0.3127734), wk = 0.0023148 k( 213) = ( 0.2840909 -0.0000000 0.3127734), wk = 0.0023148 k( 214) = ( 0.2954545 -0.0000000 0.3127734), wk = 0.0023148 k( 215) = ( 0.3068182 -0.0000000 0.3127734), wk = 0.0023148 k( 216) = ( 0.3181818 -0.0000000 0.3127734), wk = 0.0023148 k( 217) = ( 0.3295455 -0.0000000 0.3127734), wk = 0.0023148 k( 218) = ( 0.3409091 -0.0000000 0.3127734), wk = 0.0023148 k( 219) = ( 0.3522727 -0.0000000 0.3127734), wk = 0.0023148 k( 220) = ( 0.3636364 -0.0000000 0.3127734), wk = 0.0023148 k( 221) = ( 0.3750000 -0.0000000 0.3127734), wk = 0.0023148 k( 222) = ( 0.3863636 -0.0000000 0.3127734), wk = 0.0023148 k( 223) = ( 0.3977273 -0.0000000 0.3127734), wk = 0.0023148 k( 224) = ( 0.4090909 -0.0000000 0.3127734), wk = 0.0023148 k( 225) = ( 0.4204545 -0.0000000 0.3127734), wk = 0.0023148 k( 226) = ( 0.4318182 -0.0000000 0.3127734), wk = 0.0023148 k( 227) = ( 0.4431818 -0.0000000 0.3127734), wk = 0.0023148 k( 228) = ( 0.4545455 -0.0000000 0.3127734), wk = 0.0023148 k( 229) = ( 0.4659091 -0.0000000 0.3127734), wk = 0.0023148 k( 230) = ( 0.4772727 -0.0000000 0.3127734), wk = 0.0023148 k( 231) = ( 0.4886364 -0.0000000 0.3127734), wk = 0.0023148 k( 232) = ( 0.5000000 -0.0000000 0.3127734), wk = 0.0023148 k( 233) = ( 0.5000000 -0.0000000 0.3127734), wk = 0.0023148 k( 234) = ( 0.5000000 0.0113059 0.3127734), wk = 0.0023148 k( 235) = ( 0.5000000 0.0226118 0.3127734), wk = 0.0023148 k( 236) = ( 0.5000000 0.0339178 0.3127734), wk = 0.0023148 k( 237) = ( 0.5000000 0.0452237 0.3127734), wk = 0.0023148 k( 238) = ( 0.5000000 0.0565296 0.3127734), wk = 0.0023148 k( 239) = ( 0.5000000 0.0678355 0.3127734), wk = 0.0023148 k( 240) = ( 0.5000000 0.0791414 0.3127734), wk = 0.0023148 k( 241) = ( 0.5000000 0.0904474 0.3127734), wk = 0.0023148 k( 242) = ( 0.5000000 0.1017533 0.3127734), wk = 0.0023148 k( 243) = ( 0.5000000 0.1130592 0.3127734), wk = 0.0023148 k( 244) = ( 0.5000000 0.1243651 0.3127734), wk = 0.0023148 k( 245) = ( 0.5000000 0.1356710 0.3127734), wk = 0.0023148 k( 246) = ( 0.5000000 0.1469770 0.3127734), wk = 0.0023148 k( 247) = ( 0.5000000 0.1582829 0.3127734), wk = 0.0023148 k( 248) = ( 0.5000000 0.1695888 0.3127734), wk = 0.0023148 k( 249) = ( 0.5000000 0.1808947 0.3127734), wk = 0.0023148 k( 250) = ( 0.5000000 0.1922007 0.3127734), wk = 0.0023148 k( 251) = ( 0.5000000 0.2035066 0.3127734), wk = 0.0023148 k( 252) = ( 0.5000000 0.2148125 0.3127734), wk = 0.0023148 k( 253) = ( 0.5000000 0.2261184 0.3127734), wk = 0.0023148 k( 254) = ( 0.5000000 0.2374243 0.3127734), wk = 0.0023148 k( 255) = ( 0.5000000 0.2487303 0.3127734), wk = 0.0023148 k( 256) = ( 0.5000000 0.2600362 0.3127734), wk = 0.0023148 k( 257) = ( 0.5000000 0.2713421 0.3127734), wk = 0.0023148 k( 258) = ( 0.5000000 0.2826480 0.3127734), wk = 0.0023148 k( 259) = ( 0.5000000 0.2939539 0.3127734), wk = 0.0023148 k( 260) = ( 0.5000000 0.3052599 0.3127734), wk = 0.0023148 k( 261) = ( 0.5000000 0.3165658 0.3127734), wk = 0.0023148 k( 262) = ( 0.5000000 0.3278717 0.3127734), wk = 0.0023148 k( 263) = ( 0.5000000 0.3391776 0.3127734), wk = 0.0023148 k( 264) = ( 0.5000000 0.3504835 0.3127734), wk = 0.0023148 k( 265) = ( 0.5000000 0.3617895 0.3127734), wk = 0.0023148 k( 266) = ( 0.5000000 0.3730954 0.3127734), wk = 0.0023148 k( 267) = ( 0.5000000 0.3730954 0.3127734), wk = 0.0023148 k( 268) = ( 0.4886364 0.3730954 0.3127734), wk = 0.0023148 k( 269) = ( 0.4772727 0.3730954 0.3127734), wk = 0.0023148 k( 270) = ( 0.4659091 0.3730954 0.3127734), wk = 0.0023148 k( 271) = ( 0.4545455 0.3730954 0.3127734), wk = 0.0023148 k( 272) = ( 0.4431818 0.3730954 0.3127734), wk = 0.0023148 k( 273) = ( 0.4318182 0.3730954 0.3127734), wk = 0.0023148 k( 274) = ( 0.4204545 0.3730954 0.3127734), wk = 0.0023148 k( 275) = ( 0.4090909 0.3730954 0.3127734), wk = 0.0023148 k( 276) = ( 0.3977273 0.3730954 0.3127734), wk = 0.0023148 k( 277) = ( 0.3863636 0.3730954 0.3127734), wk = 0.0023148 k( 278) = ( 0.3750000 0.3730954 0.3127734), wk = 0.0023148 k( 279) = ( 0.3636364 0.3730954 0.3127734), wk = 0.0023148 k( 280) = ( 0.3522727 0.3730954 0.3127734), wk = 0.0023148 k( 281) = ( 0.3409091 0.3730954 0.3127734), wk = 0.0023148 k( 282) = ( 0.3295455 0.3730954 0.3127734), wk = 0.0023148 k( 283) = ( 0.3181818 0.3730954 0.3127734), wk = 0.0023148 k( 284) = ( 0.3068182 0.3730954 0.3127734), wk = 0.0023148 k( 285) = ( 0.2954545 0.3730954 0.3127734), wk = 0.0023148 k( 286) = ( 0.2840909 0.3730954 0.3127734), wk = 0.0023148 k( 287) = ( 0.2727273 0.3730954 0.3127734), wk = 0.0023148 k( 288) = ( 0.2613636 0.3730954 0.3127734), wk = 0.0023148 k( 289) = ( 0.2500000 0.3730954 0.3127734), wk = 0.0023148 k( 290) = ( 0.2386364 0.3730954 0.3127734), wk = 0.0023148 k( 291) = ( 0.2272727 0.3730954 0.3127734), wk = 0.0023148 k( 292) = ( 0.2159091 0.3730954 0.3127734), wk = 0.0023148 k( 293) = ( 0.2045454 0.3730954 0.3127734), wk = 0.0023148 k( 294) = ( 0.1931818 0.3730954 0.3127734), wk = 0.0023148 k( 295) = ( 0.1818182 0.3730954 0.3127734), wk = 0.0023148 k( 296) = ( 0.1704546 0.3730954 0.3127734), wk = 0.0023148 k( 297) = ( 0.1590909 0.3730954 0.3127734), wk = 0.0023148 k( 298) = ( 0.1477273 0.3730954 0.3127734), wk = 0.0023148 k( 299) = ( 0.1363636 0.3730954 0.3127734), wk = 0.0023148 k( 300) = ( 0.1250000 0.3730954 0.3127734), wk = 0.0023148 k( 301) = ( 0.1136364 0.3730954 0.3127734), wk = 0.0023148 k( 302) = ( 0.1022727 0.3730954 0.3127734), wk = 0.0023148 k( 303) = ( 0.0909091 0.3730954 0.3127734), wk = 0.0023148 k( 304) = ( 0.0795455 0.3730954 0.3127734), wk = 0.0023148 k( 305) = ( 0.0681818 0.3730954 0.3127734), wk = 0.0023148 k( 306) = ( 0.0568182 0.3730954 0.3127734), wk = 0.0023148 k( 307) = ( 0.0454546 0.3730954 0.3127734), wk = 0.0023148 k( 308) = ( 0.0340909 0.3730954 0.3127734), wk = 0.0023148 k( 309) = ( 0.0227273 0.3730954 0.3127734), wk = 0.0023148 k( 310) = ( 0.0113636 0.3730954 0.3127734), wk = 0.0023148 k( 311) = ( 0.0000000 0.3730954 0.3127734), wk = 0.0023148 k( 312) = ( 0.0000000 0.3730954 0.3127734), wk = 0.0023148 k( 313) = ( 0.0000000 0.3617895 0.3127734), wk = 0.0023148 k( 314) = ( 0.0000000 0.3504835 0.3127734), wk = 0.0023148 k( 315) = ( 0.0000000 0.3391776 0.3127734), wk = 0.0023148 k( 316) = ( 0.0000000 0.3278717 0.3127734), wk = 0.0023148 k( 317) = ( 0.0000000 0.3165658 0.3127734), wk = 0.0023148 k( 318) = ( 0.0000000 0.3052599 0.3127734), wk = 0.0023148 k( 319) = ( 0.0000000 0.2939539 0.3127734), wk = 0.0023148 k( 320) = ( 0.0000000 0.2826480 0.3127734), wk = 0.0023148 k( 321) = ( 0.0000000 0.2713421 0.3127734), wk = 0.0023148 k( 322) = ( 0.0000000 0.2600362 0.3127734), wk = 0.0023148 k( 323) = ( 0.0000000 0.2487303 0.3127734), wk = 0.0023148 k( 324) = ( 0.0000000 0.2374243 0.3127734), wk = 0.0023148 k( 325) = ( 0.0000000 0.2261184 0.3127734), wk = 0.0023148 k( 326) = ( 0.0000000 0.2148125 0.3127734), wk = 0.0023148 k( 327) = ( 0.0000000 0.2035066 0.3127734), wk = 0.0023148 k( 328) = ( 0.0000000 0.1922007 0.3127734), wk = 0.0023148 k( 329) = ( 0.0000000 0.1808947 0.3127734), wk = 0.0023148 k( 330) = ( 0.0000000 0.1695888 0.3127734), wk = 0.0023148 k( 331) = ( 0.0000000 0.1582829 0.3127734), wk = 0.0023148 k( 332) = ( 0.0000000 0.1469770 0.3127734), wk = 0.0023148 k( 333) = ( 0.0000000 0.1356710 0.3127734), wk = 0.0023148 k( 334) = ( 0.0000000 0.1243651 0.3127734), wk = 0.0023148 k( 335) = ( 0.0000000 0.1130592 0.3127734), wk = 0.0023148 k( 336) = ( 0.0000000 0.1017533 0.3127734), wk = 0.0023148 k( 337) = ( 0.0000000 0.0904474 0.3127734), wk = 0.0023148 k( 338) = ( 0.0000000 0.0791414 0.3127734), wk = 0.0023148 k( 339) = ( 0.0000000 0.0678355 0.3127734), wk = 0.0023148 k( 340) = ( 0.0000000 0.0565296 0.3127734), wk = 0.0023148 k( 341) = ( 0.0000000 0.0452237 0.3127734), wk = 0.0023148 k( 342) = ( 0.0000000 0.0339178 0.3127734), wk = 0.0023148 k( 343) = ( 0.0000000 0.0226118 0.3127734), wk = 0.0023148 k( 344) = ( 0.0000000 0.0113059 0.3127734), wk = 0.0023148 k( 345) = ( 0.0000000 0.0000000 0.3127734), wk = 0.0023148 k( 346) = ( 0.0000000 0.3730954 -0.0000000), wk = 0.0023148 k( 347) = ( 0.0000000 0.3730954 0.0111705), wk = 0.0023148 k( 348) = ( 0.0000000 0.3730954 0.0223410), wk = 0.0023148 k( 349) = ( 0.0000000 0.3730954 0.0335114), wk = 0.0023148 k( 350) = ( 0.0000000 0.3730954 0.0446819), wk = 0.0023148 k( 351) = ( 0.0000000 0.3730954 0.0558524), wk = 0.0023148 k( 352) = ( 0.0000000 0.3730954 0.0670229), wk = 0.0023148 k( 353) = ( 0.0000000 0.3730954 0.0781934), wk = 0.0023148 k( 354) = ( 0.0000000 0.3730954 0.0893638), wk = 0.0023148 k( 355) = ( 0.0000000 0.3730954 0.1005343), wk = 0.0023148 k( 356) = ( 0.0000000 0.3730954 0.1117048), wk = 0.0023148 k( 357) = ( 0.0000000 0.3730954 0.1228753), wk = 0.0023148 k( 358) = ( 0.0000000 0.3730954 0.1340457), wk = 0.0023148 k( 359) = ( 0.0000000 0.3730954 0.1452162), wk = 0.0023148 k( 360) = ( 0.0000000 0.3730954 0.1563867), wk = 0.0023148 k( 361) = ( 0.0000000 0.3730954 0.1675572), wk = 0.0023148 k( 362) = ( 0.0000000 0.3730954 0.1787277), wk = 0.0023148 k( 363) = ( 0.0000000 0.3730954 0.1898981), wk = 0.0023148 k( 364) = ( 0.0000000 0.3730954 0.2010686), wk = 0.0023148 k( 365) = ( 0.0000000 0.3730954 0.2122391), wk = 0.0023148 k( 366) = ( 0.0000000 0.3730954 0.2234096), wk = 0.0023148 k( 367) = ( 0.0000000 0.3730954 0.2345801), wk = 0.0023148 k( 368) = ( 0.0000000 0.3730954 0.2457505), wk = 0.0023148 k( 369) = ( 0.0000000 0.3730954 0.2569210), wk = 0.0023148 k( 370) = ( 0.0000000 0.3730954 0.2680915), wk = 0.0023148 k( 371) = ( 0.0000000 0.3730954 0.2792620), wk = 0.0023148 k( 372) = ( 0.0000000 0.3730954 0.2904324), wk = 0.0023148 k( 373) = ( 0.0000000 0.3730954 0.3016029), wk = 0.0023148 k( 374) = ( 0.0000000 0.3730954 0.3127734), wk = 0.0023148 k( 375) = ( 0.5000000 -0.0000000 0.3127734), wk = 0.0023148 k( 376) = ( 0.5000000 -0.0000000 0.3016029), wk = 0.0023148 k( 377) = ( 0.5000000 -0.0000000 0.2904324), wk = 0.0023148 k( 378) = ( 0.5000000 -0.0000000 0.2792620), wk = 0.0023148 k( 379) = ( 0.5000000 -0.0000000 0.2680915), wk = 0.0023148 k( 380) = ( 0.5000000 -0.0000000 0.2569210), wk = 0.0023148 k( 381) = ( 0.5000000 -0.0000000 0.2457505), wk = 0.0023148 k( 382) = ( 0.5000000 -0.0000000 0.2345801), wk = 0.0023148 k( 383) = ( 0.5000000 -0.0000000 0.2234096), wk = 0.0023148 k( 384) = ( 0.5000000 -0.0000000 0.2122391), wk = 0.0023148 k( 385) = ( 0.5000000 -0.0000000 0.2010686), wk = 0.0023148 k( 386) = ( 0.5000000 -0.0000000 0.1898981), wk = 0.0023148 k( 387) = ( 0.5000000 -0.0000000 0.1787277), wk = 0.0023148 k( 388) = ( 0.5000000 -0.0000000 0.1675572), wk = 0.0023148 k( 389) = ( 0.5000000 -0.0000000 0.1563867), wk = 0.0023148 k( 390) = ( 0.5000000 -0.0000000 0.1452162), wk = 0.0023148 k( 391) = ( 0.5000000 -0.0000000 0.1340457), wk = 0.0023148 k( 392) = ( 0.5000000 -0.0000000 0.1228753), wk = 0.0023148 k( 393) = ( 0.5000000 -0.0000000 0.1117048), wk = 0.0023148 k( 394) = ( 0.5000000 -0.0000000 0.1005343), wk = 0.0023148 k( 395) = ( 0.5000000 -0.0000000 0.0893638), wk = 0.0023148 k( 396) = ( 0.5000000 -0.0000000 0.0781934), wk = 0.0023148 k( 397) = ( 0.5000000 -0.0000000 0.0670229), wk = 0.0023148 k( 398) = ( 0.5000000 -0.0000000 0.0558524), wk = 0.0023148 k( 399) = ( 0.5000000 -0.0000000 0.0446819), wk = 0.0023148 k( 400) = ( 0.5000000 -0.0000000 0.0335114), wk = 0.0023148 k( 401) = ( 0.5000000 -0.0000000 0.0223410), wk = 0.0023148 k( 402) = ( 0.5000000 -0.0000000 0.0111705), wk = 0.0023148 k( 403) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0023148 k( 404) = ( 0.5000000 0.3730954 -0.0000000), wk = 0.0023148 k( 405) = ( 0.5000000 0.3730954 0.0111705), wk = 0.0023148 k( 406) = ( 0.5000000 0.3730954 0.0223410), wk = 0.0023148 k( 407) = ( 0.5000000 0.3730954 0.0335114), wk = 0.0023148 k( 408) = ( 0.5000000 0.3730954 0.0446819), wk = 0.0023148 k( 409) = ( 0.5000000 0.3730954 0.0558524), wk = 0.0023148 k( 410) = ( 0.5000000 0.3730954 0.0670229), wk = 0.0023148 k( 411) = ( 0.5000000 0.3730954 0.0781934), wk = 0.0023148 k( 412) = ( 0.5000000 0.3730954 0.0893638), wk = 0.0023148 k( 413) = ( 0.5000000 0.3730954 0.1005343), wk = 0.0023148 k( 414) = ( 0.5000000 0.3730954 0.1117048), wk = 0.0023148 k( 415) = ( 0.5000000 0.3730954 0.1228753), wk = 0.0023148 k( 416) = ( 0.5000000 0.3730954 0.1340457), wk = 0.0023148 k( 417) = ( 0.5000000 0.3730954 0.1452162), wk = 0.0023148 k( 418) = ( 0.5000000 0.3730954 0.1563867), wk = 0.0023148 k( 419) = ( 0.5000000 0.3730954 0.1675572), wk = 0.0023148 k( 420) = ( 0.5000000 0.3730954 0.1787277), wk = 0.0023148 k( 421) = ( 0.5000000 0.3730954 0.1898981), wk = 0.0023148 k( 422) = ( 0.5000000 0.3730954 0.2010686), wk = 0.0023148 k( 423) = ( 0.5000000 0.3730954 0.2122391), wk = 0.0023148 k( 424) = ( 0.5000000 0.3730954 0.2234096), wk = 0.0023148 k( 425) = ( 0.5000000 0.3730954 0.2345801), wk = 0.0023148 k( 426) = ( 0.5000000 0.3730954 0.2457505), wk = 0.0023148 k( 427) = ( 0.5000000 0.3730954 0.2569210), wk = 0.0023148 k( 428) = ( 0.5000000 0.3730954 0.2680915), wk = 0.0023148 k( 429) = ( 0.5000000 0.3730954 0.2792620), wk = 0.0023148 k( 430) = ( 0.5000000 0.3730954 0.2904324), wk = 0.0023148 k( 431) = ( 0.5000000 0.3730954 0.3016029), wk = 0.0023148 k( 432) = ( 0.5000000 0.3730954 0.3127734), wk = 0.0023148 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 2) = ( 0.0113636 0.0000000 0.0000000), wk = 0.0023148 k( 3) = ( 0.0227273 0.0000000 0.0000000), wk = 0.0023148 k( 4) = ( 0.0340909 0.0000000 0.0000000), wk = 0.0023148 k( 5) = ( 0.0454546 0.0000000 0.0000000), wk = 0.0023148 k( 6) = ( 0.0568182 0.0000000 -0.0000000), wk = 0.0023148 k( 7) = ( 0.0681818 0.0000000 0.0000000), wk = 0.0023148 k( 8) = ( 0.0795455 0.0000000 -0.0000000), wk = 0.0023148 k( 9) = ( 0.0909091 0.0000000 0.0000000), wk = 0.0023148 k( 10) = ( 0.1022727 0.0000000 0.0000000), wk = 0.0023148 k( 11) = ( 0.1136364 0.0000000 -0.0000000), wk = 0.0023148 k( 12) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0023148 k( 13) = ( 0.1363636 0.0000000 0.0000000), wk = 0.0023148 k( 14) = ( 0.1477273 0.0000000 0.0000000), wk = 0.0023148 k( 15) = ( 0.1590909 0.0000000 0.0000000), wk = 0.0023148 k( 16) = ( 0.1704546 0.0000000 0.0000000), wk = 0.0023148 k( 17) = ( 0.1818182 0.0000000 0.0000000), wk = 0.0023148 k( 18) = ( 0.1931818 0.0000000 -0.0000000), wk = 0.0023148 k( 19) = ( 0.2045454 0.0000000 -0.0000000), wk = 0.0023148 k( 20) = ( 0.2159091 0.0000000 0.0000000), wk = 0.0023148 k( 21) = ( 0.2272727 0.0000000 0.0000000), wk = 0.0023148 k( 22) = ( 0.2386364 0.0000000 0.0000000), wk = 0.0023148 k( 23) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0023148 k( 24) = ( 0.2613636 0.0000000 -0.0000000), wk = 0.0023148 k( 25) = ( 0.2727273 0.0000000 0.0000000), wk = 0.0023148 k( 26) = ( 0.2840909 0.0000000 0.0000000), wk = 0.0023148 k( 27) = ( 0.2954545 0.0000000 0.0000000), wk = 0.0023148 k( 28) = ( 0.3068182 0.0000000 0.0000000), wk = 0.0023148 k( 29) = ( 0.3181818 0.0000000 0.0000000), wk = 0.0023148 k( 30) = ( 0.3295455 0.0000000 -0.0000000), wk = 0.0023148 k( 31) = ( 0.3409091 0.0000000 0.0000000), wk = 0.0023148 k( 32) = ( 0.3522727 0.0000000 0.0000000), wk = 0.0023148 k( 33) = ( 0.3636364 0.0000000 0.0000000), wk = 0.0023148 k( 34) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0023148 k( 35) = ( 0.3863636 0.0000000 -0.0000000), wk = 0.0023148 k( 36) = ( 0.3977273 0.0000000 -0.0000000), wk = 0.0023148 k( 37) = ( 0.4090909 0.0000000 0.0000000), wk = 0.0023148 k( 38) = ( 0.4204545 0.0000000 0.0000000), wk = 0.0023148 k( 39) = ( 0.4318182 0.0000000 0.0000000), wk = 0.0023148 k( 40) = ( 0.4431818 0.0000000 0.0000000), wk = 0.0023148 k( 41) = ( 0.4545455 0.0000000 -0.0000000), wk = 0.0023148 k( 42) = ( 0.4659091 0.0000000 0.0000000), wk = 0.0023148 k( 43) = ( 0.4772727 0.0000000 0.0000000), wk = 0.0023148 k( 44) = ( 0.4886364 0.0000000 -0.0000000), wk = 0.0023148 k( 45) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023148 k( 46) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023148 k( 47) = ( 0.5000000 0.0151515 0.0000000), wk = 0.0023148 k( 48) = ( 0.5000000 0.0303030 0.0000000), wk = 0.0023148 k( 49) = ( 0.5000000 0.0454546 0.0000000), wk = 0.0023148 k( 50) = ( 0.5000000 0.0606061 0.0000000), wk = 0.0023148 k( 51) = ( 0.5000000 0.0757576 0.0000000), wk = 0.0023148 k( 52) = ( 0.5000000 0.0909091 -0.0000000), wk = 0.0023148 k( 53) = ( 0.5000000 0.1060606 0.0000000), wk = 0.0023148 k( 54) = ( 0.5000000 0.1212121 0.0000000), wk = 0.0023148 k( 55) = ( 0.5000000 0.1363636 0.0000000), wk = 0.0023148 k( 56) = ( 0.5000000 0.1515151 0.0000000), wk = 0.0023148 k( 57) = ( 0.5000000 0.1666667 -0.0000000), wk = 0.0023148 k( 58) = ( 0.5000000 0.1818182 -0.0000000), wk = 0.0023148 k( 59) = ( 0.5000000 0.1969697 -0.0000000), wk = 0.0023148 k( 60) = ( 0.5000000 0.2121212 0.0000000), wk = 0.0023148 k( 61) = ( 0.5000000 0.2272727 -0.0000000), wk = 0.0023148 k( 62) = ( 0.5000000 0.2424242 -0.0000000), wk = 0.0023148 k( 63) = ( 0.5000000 0.2575758 0.0000000), wk = 0.0023148 k( 64) = ( 0.5000000 0.2727273 0.0000000), wk = 0.0023148 k( 65) = ( 0.5000000 0.2878788 -0.0000000), wk = 0.0023148 k( 66) = ( 0.5000000 0.3030303 0.0000000), wk = 0.0023148 k( 67) = ( 0.5000000 0.3181818 0.0000000), wk = 0.0023148 k( 68) = ( 0.5000000 0.3333333 0.0000000), wk = 0.0023148 k( 69) = ( 0.5000000 0.3484849 0.0000000), wk = 0.0023148 k( 70) = ( 0.5000000 0.3636364 0.0000000), wk = 0.0023148 k( 71) = ( 0.5000000 0.3787879 0.0000000), wk = 0.0023148 k( 72) = ( 0.5000000 0.3939394 0.0000000), wk = 0.0023148 k( 73) = ( 0.5000000 0.4090909 0.0000000), wk = 0.0023148 k( 74) = ( 0.5000000 0.4242424 -0.0000000), wk = 0.0023148 k( 75) = ( 0.5000000 0.4393939 0.0000000), wk = 0.0023148 k( 76) = ( 0.5000000 0.4545454 -0.0000000), wk = 0.0023148 k( 77) = ( 0.5000000 0.4696970 0.0000000), wk = 0.0023148 k( 78) = ( 0.5000000 0.4848485 0.0000000), wk = 0.0023148 k( 79) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023148 k( 80) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023148 k( 81) = ( 0.4886364 0.5000000 -0.0000000), wk = 0.0023148 k( 82) = ( 0.4772727 0.5000000 0.0000000), wk = 0.0023148 k( 83) = ( 0.4659091 0.5000000 -0.0000000), wk = 0.0023148 k( 84) = ( 0.4545455 0.5000000 -0.0000000), wk = 0.0023148 k( 85) = ( 0.4431818 0.5000000 -0.0000000), wk = 0.0023148 k( 86) = ( 0.4318182 0.5000000 0.0000000), wk = 0.0023148 k( 87) = ( 0.4204545 0.5000000 0.0000000), wk = 0.0023148 k( 88) = ( 0.4090909 0.5000000 -0.0000000), wk = 0.0023148 k( 89) = ( 0.3977273 0.5000000 -0.0000000), wk = 0.0023148 k( 90) = ( 0.3863636 0.5000000 0.0000000), wk = 0.0023148 k( 91) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0023148 k( 92) = ( 0.3636364 0.5000000 -0.0000000), wk = 0.0023148 k( 93) = ( 0.3522727 0.5000000 0.0000000), wk = 0.0023148 k( 94) = ( 0.3409091 0.5000000 -0.0000000), wk = 0.0023148 k( 95) = ( 0.3295455 0.5000000 0.0000000), wk = 0.0023148 k( 96) = ( 0.3181818 0.5000000 0.0000000), wk = 0.0023148 k( 97) = ( 0.3068182 0.5000000 -0.0000000), wk = 0.0023148 k( 98) = ( 0.2954545 0.5000000 0.0000000), wk = 0.0023148 k( 99) = ( 0.2840909 0.5000000 -0.0000000), wk = 0.0023148 k( 100) = ( 0.2727273 0.5000000 0.0000000), wk = 0.0023148 k( 101) = ( 0.2613636 0.5000000 0.0000000), wk = 0.0023148 k( 102) = ( 0.2500000 0.5000000 0.0000000), wk = 0.0023148 k( 103) = ( 0.2386364 0.5000000 0.0000000), wk = 0.0023148 k( 104) = ( 0.2272727 0.5000000 0.0000000), wk = 0.0023148 k( 105) = ( 0.2159091 0.5000000 0.0000000), wk = 0.0023148 k( 106) = ( 0.2045454 0.5000000 0.0000000), wk = 0.0023148 k( 107) = ( 0.1931818 0.5000000 0.0000000), wk = 0.0023148 k( 108) = ( 0.1818182 0.5000000 0.0000000), wk = 0.0023148 k( 109) = ( 0.1704546 0.5000000 0.0000000), wk = 0.0023148 k( 110) = ( 0.1590909 0.5000000 0.0000000), wk = 0.0023148 k( 111) = ( 0.1477273 0.5000000 0.0000000), wk = 0.0023148 k( 112) = ( 0.1363636 0.5000000 0.0000000), wk = 0.0023148 k( 113) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0023148 k( 114) = ( 0.1136364 0.5000000 0.0000000), wk = 0.0023148 k( 115) = ( 0.1022727 0.5000000 0.0000000), wk = 0.0023148 k( 116) = ( 0.0909091 0.5000000 0.0000000), wk = 0.0023148 k( 117) = ( 0.0795455 0.5000000 0.0000000), wk = 0.0023148 k( 118) = ( 0.0681818 0.5000000 0.0000000), wk = 0.0023148 k( 119) = ( 0.0568182 0.5000000 0.0000000), wk = 0.0023148 k( 120) = ( 0.0454546 0.5000000 0.0000000), wk = 0.0023148 k( 121) = ( 0.0340909 0.5000000 0.0000000), wk = 0.0023148 k( 122) = ( 0.0227273 0.5000000 0.0000000), wk = 0.0023148 k( 123) = ( 0.0113636 0.5000000 0.0000000), wk = 0.0023148 k( 124) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023148 k( 125) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023148 k( 126) = ( 0.0000000 0.4848485 -0.0000000), wk = 0.0023148 k( 127) = ( 0.0000000 0.4696970 0.0000000), wk = 0.0023148 k( 128) = ( 0.0000000 0.4545454 0.0000000), wk = 0.0023148 k( 129) = ( 0.0000000 0.4393939 0.0000000), wk = 0.0023148 k( 130) = ( 0.0000000 0.4242424 -0.0000000), wk = 0.0023148 k( 131) = ( 0.0000000 0.4090909 -0.0000000), wk = 0.0023148 k( 132) = ( 0.0000000 0.3939394 0.0000000), wk = 0.0023148 k( 133) = ( 0.0000000 0.3787879 0.0000000), wk = 0.0023148 k( 134) = ( 0.0000000 0.3636364 -0.0000000), wk = 0.0023148 k( 135) = ( 0.0000000 0.3484849 0.0000000), wk = 0.0023148 k( 136) = ( 0.0000000 0.3333333 0.0000000), wk = 0.0023148 k( 137) = ( 0.0000000 0.3181818 0.0000000), wk = 0.0023148 k( 138) = ( 0.0000000 0.3030303 0.0000000), wk = 0.0023148 k( 139) = ( 0.0000000 0.2878788 0.0000000), wk = 0.0023148 k( 140) = ( 0.0000000 0.2727273 0.0000000), wk = 0.0023148 k( 141) = ( 0.0000000 0.2575758 0.0000000), wk = 0.0023148 k( 142) = ( 0.0000000 0.2424242 -0.0000000), wk = 0.0023148 k( 143) = ( 0.0000000 0.2272727 -0.0000000), wk = 0.0023148 k( 144) = ( 0.0000000 0.2121212 -0.0000000), wk = 0.0023148 k( 145) = ( 0.0000000 0.1969697 -0.0000000), wk = 0.0023148 k( 146) = ( 0.0000000 0.1818182 -0.0000000), wk = 0.0023148 k( 147) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0023148 k( 148) = ( 0.0000000 0.1515151 0.0000000), wk = 0.0023148 k( 149) = ( 0.0000000 0.1363636 -0.0000000), wk = 0.0023148 k( 150) = ( 0.0000000 0.1212121 -0.0000000), wk = 0.0023148 k( 151) = ( 0.0000000 0.1060606 0.0000000), wk = 0.0023148 k( 152) = ( 0.0000000 0.0909091 -0.0000000), wk = 0.0023148 k( 153) = ( 0.0000000 0.0757576 -0.0000000), wk = 0.0023148 k( 154) = ( 0.0000000 0.0606061 -0.0000000), wk = 0.0023148 k( 155) = ( 0.0000000 0.0454545 0.0000000), wk = 0.0023148 k( 156) = ( 0.0000000 0.0303030 -0.0000000), wk = 0.0023148 k( 157) = ( 0.0000000 0.0151515 0.0000000), wk = 0.0023148 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023148 k( 160) = ( 0.0000000 0.0000000 0.0178571), wk = 0.0023148 k( 161) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0023148 k( 162) = ( 0.0000000 0.0000000 0.0535714), wk = 0.0023148 k( 163) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0023148 k( 164) = ( 0.0000000 0.0000000 0.0892857), wk = 0.0023148 k( 165) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0023148 k( 166) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0023148 k( 167) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0023148 k( 168) = ( 0.0000000 0.0000000 0.1607143), wk = 0.0023148 k( 169) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0023148 k( 170) = ( 0.0000000 0.0000000 0.1964286), wk = 0.0023148 k( 171) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0023148 k( 172) = ( 0.0000000 0.0000000 0.2321429), wk = 0.0023148 k( 173) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0023148 k( 174) = ( 0.0000000 0.0000000 0.2678571), wk = 0.0023148 k( 175) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0023148 k( 176) = ( 0.0000000 0.0000000 0.3035714), wk = 0.0023148 k( 177) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0023148 k( 178) = ( 0.0000000 0.0000000 0.3392857), wk = 0.0023148 k( 179) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0023148 k( 180) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0023148 k( 181) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0023148 k( 182) = ( 0.0000000 0.0000000 0.4107143), wk = 0.0023148 k( 183) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0023148 k( 184) = ( 0.0000000 0.0000000 0.4464286), wk = 0.0023148 k( 185) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0023148 k( 186) = ( 0.0000000 0.0000000 0.4821429), wk = 0.0023148 k( 187) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023148 k( 188) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023148 k( 189) = ( 0.0113636 0.0000000 0.5000000), wk = 0.0023148 k( 190) = ( 0.0227273 0.0000000 0.5000000), wk = 0.0023148 k( 191) = ( 0.0340909 0.0000000 0.5000000), wk = 0.0023148 k( 192) = ( 0.0454546 0.0000000 0.5000000), wk = 0.0023148 k( 193) = ( 0.0568182 0.0000000 0.5000000), wk = 0.0023148 k( 194) = ( 0.0681818 0.0000000 0.5000000), wk = 0.0023148 k( 195) = ( 0.0795455 0.0000000 0.5000000), wk = 0.0023148 k( 196) = ( 0.0909091 0.0000000 0.5000000), wk = 0.0023148 k( 197) = ( 0.1022727 0.0000000 0.5000000), wk = 0.0023148 k( 198) = ( 0.1136364 0.0000000 0.5000000), wk = 0.0023148 k( 199) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0023148 k( 200) = ( 0.1363636 0.0000000 0.5000000), wk = 0.0023148 k( 201) = ( 0.1477273 0.0000000 0.5000000), wk = 0.0023148 k( 202) = ( 0.1590909 0.0000000 0.5000000), wk = 0.0023148 k( 203) = ( 0.1704546 0.0000000 0.5000000), wk = 0.0023148 k( 204) = ( 0.1818182 0.0000000 0.5000000), wk = 0.0023148 k( 205) = ( 0.1931818 0.0000000 0.5000000), wk = 0.0023148 k( 206) = ( 0.2045454 0.0000000 0.5000000), wk = 0.0023148 k( 207) = ( 0.2159091 0.0000000 0.5000000), wk = 0.0023148 k( 208) = ( 0.2272727 0.0000000 0.5000000), wk = 0.0023148 k( 209) = ( 0.2386364 0.0000000 0.5000000), wk = 0.0023148 k( 210) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0023148 k( 211) = ( 0.2613636 0.0000000 0.5000000), wk = 0.0023148 k( 212) = ( 0.2727273 0.0000000 0.5000000), wk = 0.0023148 k( 213) = ( 0.2840909 0.0000000 0.5000000), wk = 0.0023148 k( 214) = ( 0.2954545 0.0000000 0.5000000), wk = 0.0023148 k( 215) = ( 0.3068182 0.0000000 0.5000000), wk = 0.0023148 k( 216) = ( 0.3181818 0.0000000 0.5000000), wk = 0.0023148 k( 217) = ( 0.3295455 0.0000000 0.5000000), wk = 0.0023148 k( 218) = ( 0.3409091 0.0000000 0.5000000), wk = 0.0023148 k( 219) = ( 0.3522727 0.0000000 0.5000000), wk = 0.0023148 k( 220) = ( 0.3636364 0.0000000 0.5000000), wk = 0.0023148 k( 221) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0023148 k( 222) = ( 0.3863636 0.0000000 0.5000000), wk = 0.0023148 k( 223) = ( 0.3977273 0.0000000 0.5000000), wk = 0.0023148 k( 224) = ( 0.4090909 0.0000000 0.5000000), wk = 0.0023148 k( 225) = ( 0.4204545 0.0000000 0.5000000), wk = 0.0023148 k( 226) = ( 0.4318182 0.0000000 0.5000000), wk = 0.0023148 k( 227) = ( 0.4431818 0.0000000 0.5000000), wk = 0.0023148 k( 228) = ( 0.4545455 0.0000000 0.5000000), wk = 0.0023148 k( 229) = ( 0.4659091 0.0000000 0.5000000), wk = 0.0023148 k( 230) = ( 0.4772727 0.0000000 0.5000000), wk = 0.0023148 k( 231) = ( 0.4886364 0.0000000 0.5000000), wk = 0.0023148 k( 232) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023148 k( 233) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023148 k( 234) = ( 0.5000000 0.0151515 0.5000000), wk = 0.0023148 k( 235) = ( 0.5000000 0.0303030 0.5000000), wk = 0.0023148 k( 236) = ( 0.5000000 0.0454546 0.5000000), wk = 0.0023148 k( 237) = ( 0.5000000 0.0606061 0.5000000), wk = 0.0023148 k( 238) = ( 0.5000000 0.0757576 0.5000000), wk = 0.0023148 k( 239) = ( 0.5000000 0.0909091 0.5000000), wk = 0.0023148 k( 240) = ( 0.5000000 0.1060606 0.5000000), wk = 0.0023148 k( 241) = ( 0.5000000 0.1212121 0.5000000), wk = 0.0023148 k( 242) = ( 0.5000000 0.1363636 0.5000000), wk = 0.0023148 k( 243) = ( 0.5000000 0.1515151 0.5000000), wk = 0.0023148 k( 244) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0023148 k( 245) = ( 0.5000000 0.1818182 0.5000000), wk = 0.0023148 k( 246) = ( 0.5000000 0.1969697 0.5000000), wk = 0.0023148 k( 247) = ( 0.5000000 0.2121212 0.5000000), wk = 0.0023148 k( 248) = ( 0.5000000 0.2272727 0.5000000), wk = 0.0023148 k( 249) = ( 0.5000000 0.2424242 0.5000000), wk = 0.0023148 k( 250) = ( 0.5000000 0.2575758 0.5000000), wk = 0.0023148 k( 251) = ( 0.5000000 0.2727273 0.5000000), wk = 0.0023148 k( 252) = ( 0.5000000 0.2878788 0.5000000), wk = 0.0023148 k( 253) = ( 0.5000000 0.3030303 0.5000000), wk = 0.0023148 k( 254) = ( 0.5000000 0.3181818 0.5000000), wk = 0.0023148 k( 255) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0023148 k( 256) = ( 0.5000000 0.3484849 0.5000000), wk = 0.0023148 k( 257) = ( 0.5000000 0.3636364 0.5000000), wk = 0.0023148 k( 258) = ( 0.5000000 0.3787879 0.5000000), wk = 0.0023148 k( 259) = ( 0.5000000 0.3939394 0.5000000), wk = 0.0023148 k( 260) = ( 0.5000000 0.4090909 0.5000000), wk = 0.0023148 k( 261) = ( 0.5000000 0.4242424 0.5000000), wk = 0.0023148 k( 262) = ( 0.5000000 0.4393939 0.5000000), wk = 0.0023148 k( 263) = ( 0.5000000 0.4545454 0.5000000), wk = 0.0023148 k( 264) = ( 0.5000000 0.4696970 0.5000000), wk = 0.0023148 k( 265) = ( 0.5000000 0.4848485 0.5000000), wk = 0.0023148 k( 266) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023148 k( 267) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023148 k( 268) = ( 0.4886364 0.5000000 0.5000000), wk = 0.0023148 k( 269) = ( 0.4772727 0.5000000 0.5000000), wk = 0.0023148 k( 270) = ( 0.4659091 0.5000000 0.5000000), wk = 0.0023148 k( 271) = ( 0.4545455 0.5000000 0.5000000), wk = 0.0023148 k( 272) = ( 0.4431818 0.5000000 0.5000000), wk = 0.0023148 k( 273) = ( 0.4318182 0.5000000 0.5000000), wk = 0.0023148 k( 274) = ( 0.4204545 0.5000000 0.5000000), wk = 0.0023148 k( 275) = ( 0.4090909 0.5000000 0.5000000), wk = 0.0023148 k( 276) = ( 0.3977273 0.5000000 0.5000000), wk = 0.0023148 k( 277) = ( 0.3863636 0.5000000 0.5000000), wk = 0.0023148 k( 278) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0023148 k( 279) = ( 0.3636364 0.5000000 0.5000000), wk = 0.0023148 k( 280) = ( 0.3522727 0.5000000 0.5000000), wk = 0.0023148 k( 281) = ( 0.3409091 0.5000000 0.5000000), wk = 0.0023148 k( 282) = ( 0.3295455 0.5000000 0.5000000), wk = 0.0023148 k( 283) = ( 0.3181818 0.5000000 0.5000000), wk = 0.0023148 k( 284) = ( 0.3068182 0.5000000 0.5000000), wk = 0.0023148 k( 285) = ( 0.2954545 0.5000000 0.5000000), wk = 0.0023148 k( 286) = ( 0.2840909 0.5000000 0.5000000), wk = 0.0023148 k( 287) = ( 0.2727273 0.5000000 0.5000000), wk = 0.0023148 k( 288) = ( 0.2613636 0.5000000 0.5000000), wk = 0.0023148 k( 289) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0023148 k( 290) = ( 0.2386364 0.5000000 0.5000000), wk = 0.0023148 k( 291) = ( 0.2272727 0.5000000 0.5000000), wk = 0.0023148 k( 292) = ( 0.2159091 0.5000000 0.5000000), wk = 0.0023148 k( 293) = ( 0.2045454 0.5000000 0.5000000), wk = 0.0023148 k( 294) = ( 0.1931818 0.5000000 0.5000000), wk = 0.0023148 k( 295) = ( 0.1818182 0.5000000 0.5000000), wk = 0.0023148 k( 296) = ( 0.1704546 0.5000000 0.5000000), wk = 0.0023148 k( 297) = ( 0.1590909 0.5000000 0.5000000), wk = 0.0023148 k( 298) = ( 0.1477273 0.5000000 0.5000000), wk = 0.0023148 k( 299) = ( 0.1363636 0.5000000 0.5000000), wk = 0.0023148 k( 300) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0023148 k( 301) = ( 0.1136364 0.5000000 0.5000000), wk = 0.0023148 k( 302) = ( 0.1022727 0.5000000 0.5000000), wk = 0.0023148 k( 303) = ( 0.0909091 0.5000000 0.5000000), wk = 0.0023148 k( 304) = ( 0.0795455 0.5000000 0.5000000), wk = 0.0023148 k( 305) = ( 0.0681818 0.5000000 0.5000000), wk = 0.0023148 k( 306) = ( 0.0568182 0.5000000 0.5000000), wk = 0.0023148 k( 307) = ( 0.0454546 0.5000000 0.5000000), wk = 0.0023148 k( 308) = ( 0.0340909 0.5000000 0.5000000), wk = 0.0023148 k( 309) = ( 0.0227273 0.5000000 0.5000000), wk = 0.0023148 k( 310) = ( 0.0113636 0.5000000 0.5000000), wk = 0.0023148 k( 311) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023148 k( 312) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023148 k( 313) = ( 0.0000000 0.4848485 0.5000000), wk = 0.0023148 k( 314) = ( 0.0000000 0.4696970 0.5000000), wk = 0.0023148 k( 315) = ( 0.0000000 0.4545454 0.5000000), wk = 0.0023148 k( 316) = ( 0.0000000 0.4393939 0.5000000), wk = 0.0023148 k( 317) = ( 0.0000000 0.4242424 0.5000000), wk = 0.0023148 k( 318) = ( 0.0000000 0.4090909 0.5000000), wk = 0.0023148 k( 319) = ( 0.0000000 0.3939394 0.5000000), wk = 0.0023148 k( 320) = ( 0.0000000 0.3787879 0.5000000), wk = 0.0023148 k( 321) = ( 0.0000000 0.3636364 0.5000000), wk = 0.0023148 k( 322) = ( 0.0000000 0.3484849 0.5000000), wk = 0.0023148 k( 323) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0023148 k( 324) = ( 0.0000000 0.3181818 0.5000000), wk = 0.0023148 k( 325) = ( 0.0000000 0.3030303 0.5000000), wk = 0.0023148 k( 326) = ( 0.0000000 0.2878788 0.5000000), wk = 0.0023148 k( 327) = ( 0.0000000 0.2727273 0.5000000), wk = 0.0023148 k( 328) = ( 0.0000000 0.2575758 0.5000000), wk = 0.0023148 k( 329) = ( 0.0000000 0.2424242 0.5000000), wk = 0.0023148 k( 330) = ( 0.0000000 0.2272727 0.5000000), wk = 0.0023148 k( 331) = ( 0.0000000 0.2121212 0.5000000), wk = 0.0023148 k( 332) = ( 0.0000000 0.1969697 0.5000000), wk = 0.0023148 k( 333) = ( 0.0000000 0.1818182 0.5000000), wk = 0.0023148 k( 334) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0023148 k( 335) = ( 0.0000000 0.1515151 0.5000000), wk = 0.0023148 k( 336) = ( 0.0000000 0.1363636 0.5000000), wk = 0.0023148 k( 337) = ( 0.0000000 0.1212121 0.5000000), wk = 0.0023148 k( 338) = ( 0.0000000 0.1060606 0.5000000), wk = 0.0023148 k( 339) = ( 0.0000000 0.0909091 0.5000000), wk = 0.0023148 k( 340) = ( 0.0000000 0.0757576 0.5000000), wk = 0.0023148 k( 341) = ( 0.0000000 0.0606061 0.5000000), wk = 0.0023148 k( 342) = ( 0.0000000 0.0454545 0.5000000), wk = 0.0023148 k( 343) = ( 0.0000000 0.0303030 0.5000000), wk = 0.0023148 k( 344) = ( 0.0000000 0.0151515 0.5000000), wk = 0.0023148 k( 345) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023148 k( 346) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023148 k( 347) = ( 0.0000000 0.5000000 0.0178571), wk = 0.0023148 k( 348) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0023148 k( 349) = ( 0.0000000 0.5000000 0.0535714), wk = 0.0023148 k( 350) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0023148 k( 351) = ( 0.0000000 0.5000000 0.0892857), wk = 0.0023148 k( 352) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0023148 k( 353) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0023148 k( 354) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0023148 k( 355) = ( 0.0000000 0.5000000 0.1607143), wk = 0.0023148 k( 356) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0023148 k( 357) = ( 0.0000000 0.5000000 0.1964286), wk = 0.0023148 k( 358) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0023148 k( 359) = ( 0.0000000 0.5000000 0.2321429), wk = 0.0023148 k( 360) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0023148 k( 361) = ( 0.0000000 0.5000000 0.2678571), wk = 0.0023148 k( 362) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0023148 k( 363) = ( 0.0000000 0.5000000 0.3035714), wk = 0.0023148 k( 364) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0023148 k( 365) = ( 0.0000000 0.5000000 0.3392857), wk = 0.0023148 k( 366) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0023148 k( 367) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0023148 k( 368) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0023148 k( 369) = ( 0.0000000 0.5000000 0.4107143), wk = 0.0023148 k( 370) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0023148 k( 371) = ( 0.0000000 0.5000000 0.4464286), wk = 0.0023148 k( 372) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0023148 k( 373) = ( 0.0000000 0.5000000 0.4821429), wk = 0.0023148 k( 374) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023148 k( 375) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0023148 k( 376) = ( 0.5000000 0.0000000 0.4821429), wk = 0.0023148 k( 377) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0023148 k( 378) = ( 0.5000000 0.0000000 0.4464286), wk = 0.0023148 k( 379) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0023148 k( 380) = ( 0.5000000 0.0000000 0.4107143), wk = 0.0023148 k( 381) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0023148 k( 382) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0023148 k( 383) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0023148 k( 384) = ( 0.5000000 0.0000000 0.3392857), wk = 0.0023148 k( 385) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0023148 k( 386) = ( 0.5000000 0.0000000 0.3035714), wk = 0.0023148 k( 387) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0023148 k( 388) = ( 0.5000000 0.0000000 0.2678571), wk = 0.0023148 k( 389) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0023148 k( 390) = ( 0.5000000 0.0000000 0.2321429), wk = 0.0023148 k( 391) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0023148 k( 392) = ( 0.5000000 0.0000000 0.1964286), wk = 0.0023148 k( 393) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0023148 k( 394) = ( 0.5000000 0.0000000 0.1607143), wk = 0.0023148 k( 395) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0023148 k( 396) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0023148 k( 397) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0023148 k( 398) = ( 0.5000000 0.0000000 0.0892857), wk = 0.0023148 k( 399) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0023148 k( 400) = ( 0.5000000 0.0000000 0.0535714), wk = 0.0023148 k( 401) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0023148 k( 402) = ( 0.5000000 0.0000000 0.0178571), wk = 0.0023148 k( 403) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0023148 k( 404) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0023148 k( 405) = ( 0.5000000 0.5000000 0.0178571), wk = 0.0023148 k( 406) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0023148 k( 407) = ( 0.5000000 0.5000000 0.0535714), wk = 0.0023148 k( 408) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0023148 k( 409) = ( 0.5000000 0.5000000 0.0892857), wk = 0.0023148 k( 410) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0023148 k( 411) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0023148 k( 412) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0023148 k( 413) = ( 0.5000000 0.5000000 0.1607143), wk = 0.0023148 k( 414) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0023148 k( 415) = ( 0.5000000 0.5000000 0.1964286), wk = 0.0023148 k( 416) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0023148 k( 417) = ( 0.5000000 0.5000000 0.2321429), wk = 0.0023148 k( 418) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0023148 k( 419) = ( 0.5000000 0.5000000 0.2678571), wk = 0.0023148 k( 420) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0023148 k( 421) = ( 0.5000000 0.5000000 0.3035714), wk = 0.0023148 k( 422) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0023148 k( 423) = ( 0.5000000 0.5000000 0.3392857), wk = 0.0023148 k( 424) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0023148 k( 425) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0023148 k( 426) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0023148 k( 427) = ( 0.5000000 0.5000000 0.4107143), wk = 0.0023148 k( 428) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0023148 k( 429) = ( 0.5000000 0.5000000 0.4464286), wk = 0.0023148 k( 430) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0023148 k( 431) = ( 0.5000000 0.5000000 0.4821429), wk = 0.0023148 k( 432) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0023148 Dense grid: 41009 G-vectors FFT dimensions: ( 36, 45, 54) Smooth grid: 27881 G-vectors FFT dimensions: ( 30, 40, 48) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 238, 48) NL pseudopotentials 0.23 Mb ( 119, 124) Each V/rho on FFT grid 0.05 Mb ( 3240) Each G-vector array 0.01 Mb ( 1285) G-vector shells 0.00 Mb ( 639) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.70 Mb ( 238, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.18 Mb ( 124, 2, 48) The potential is recalculated from file : ./FeSe2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.8 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 5.1 secs Computing kpt #: 5 total cpu time spent up to now is 5.8 secs Computing kpt #: 6 total cpu time spent up to now is 6.6 secs Computing kpt #: 7 total cpu time spent up to now is 7.3 secs Computing kpt #: 8 total cpu time spent up to now is 8.0 secs Computing kpt #: 9 total cpu time spent up to now is 8.7 secs Computing kpt #: 10 total cpu time spent up to now is 9.4 secs Computing kpt #: 11 total cpu time spent up to now is 10.1 secs Computing kpt #: 12 total cpu time spent up to now is 10.9 secs Computing kpt #: 13 total cpu time spent up to now is 11.6 secs Computing kpt #: 14 total cpu time spent up to now is 12.3 secs Computing kpt #: 15 total cpu time spent up to now is 13.0 secs Computing kpt #: 16 total cpu time spent up to now is 13.7 secs Computing kpt #: 17 total cpu time spent up to now is 14.4 secs Computing kpt #: 18 total cpu time spent up to now is 15.1 secs Computing kpt #: 19 total cpu time spent up to now is 15.8 secs Computing kpt #: 20 total cpu time spent up to now is 16.6 secs Computing kpt #: 21 total cpu time spent up to now is 17.3 secs Computing kpt #: 22 total cpu time spent up to now is 18.0 secs Computing kpt #: 23 total cpu time spent up to now is 18.7 secs Computing kpt #: 24 total cpu time spent up to now is 19.4 secs Computing kpt #: 25 total cpu time spent up to now is 20.2 secs Computing kpt #: 26 total cpu time spent up to now is 20.9 secs Computing kpt #: 27 total cpu time spent up to now is 21.6 secs Computing kpt #: 28 total cpu time spent up to now is 22.3 secs Computing kpt #: 29 total cpu time spent up to now is 23.1 secs Computing kpt #: 30 total cpu time spent up to now is 23.9 secs Computing kpt #: 31 total cpu time spent up to now is 24.6 secs Computing kpt #: 32 total cpu time spent up to now is 25.4 secs Computing kpt #: 33 total cpu time spent up to now is 26.2 secs Computing kpt #: 34 total cpu time spent up to now is 27.0 secs Computing kpt #: 35 total cpu time spent up to now is 27.9 secs Computing kpt #: 36 total cpu time spent up to now is 28.7 secs Computing kpt #: 37 total cpu time spent up to now is 29.5 secs Computing kpt #: 38 total cpu time spent up to now is 30.3 secs Computing kpt #: 39 total cpu time spent up to now is 31.0 secs Computing kpt #: 40 total cpu time spent up to now is 31.7 secs Computing kpt #: 41 total cpu time spent up to now is 32.4 secs Computing kpt #: 42 total cpu time spent up to now is 33.1 secs Computing kpt #: 43 total cpu time spent up to now is 33.8 secs Computing kpt #: 44 total cpu time spent up to now is 34.5 secs Computing kpt #: 45 total cpu time spent up to now is 35.1 secs Computing kpt #: 46 total cpu time spent up to now is 35.8 secs Computing kpt #: 47 total cpu time spent up to now is 36.5 secs Computing kpt #: 48 total cpu time spent up to now is 37.2 secs Computing kpt #: 49 total cpu time spent up to now is 37.9 secs Computing kpt #: 50 total cpu time spent up to now is 38.6 secs Computing kpt #: 51 total cpu time spent up to now is 39.3 secs Computing kpt #: 52 total cpu time spent up to now is 40.0 secs Computing kpt #: 53 total cpu time spent up to now is 40.7 secs Computing kpt #: 54 total cpu time spent up to now is 41.4 secs Computing kpt #: 55 total cpu time spent up to now is 42.1 secs Computing kpt #: 56 total cpu time spent up to now is 42.8 secs Computing kpt #: 57 total cpu time spent up to now is 43.5 secs Computing kpt #: 58 total cpu time spent up to now is 44.2 secs Computing kpt #: 59 total cpu time spent up to now is 44.9 secs Computing kpt #: 60 total cpu time spent up to now is 45.6 secs Computing kpt #: 61 total cpu time spent up to now is 46.2 secs Computing kpt #: 62 total cpu time spent up to now is 46.9 secs Computing kpt #: 63 total cpu time spent up to now is 47.6 secs Computing kpt #: 64 total cpu time spent up to now is 48.2 secs Computing kpt #: 65 total cpu time spent up to now is 48.9 secs Computing kpt #: 66 total cpu time spent up to now is 49.5 secs Computing kpt #: 67 total cpu time spent up to now is 50.2 secs Computing kpt #: 68 total cpu time spent up to now is 50.8 secs Computing kpt #: 69 total cpu time spent up to now is 51.5 secs Computing kpt #: 70 total cpu time spent up to now is 52.1 secs Computing kpt #: 71 total cpu time spent up to now is 52.8 secs Computing kpt #: 72 total cpu time spent up to now is 53.4 secs Computing kpt #: 73 total cpu time spent up to now is 54.1 secs Computing kpt #: 74 total cpu time spent up to now is 54.8 secs Computing kpt #: 75 total cpu time spent up to now is 55.4 secs Computing kpt #: 76 total cpu time spent up to now is 56.1 secs Computing kpt #: 77 total cpu time spent up to now is 56.7 secs Computing kpt #: 78 total cpu time spent up to now is 57.4 secs Computing kpt #: 79 total cpu time spent up to now is 58.1 secs Computing kpt #: 80 total cpu time spent up to now is 58.7 secs Computing kpt #: 81 total cpu time spent up to now is 59.3 secs Computing kpt #: 82 total cpu time spent up to now is 60.0 secs Computing kpt #: 83 total cpu time spent up to now is 60.6 secs Computing kpt #: 84 total cpu time spent up to now is 61.3 secs Computing kpt #: 85 total cpu time spent up to now is 62.0 secs Computing kpt #: 86 total cpu time spent up to now is 62.6 secs Computing kpt #: 87 total cpu time spent up to now is 63.3 secs Computing kpt #: 88 total cpu time spent up to now is 63.9 secs Computing kpt #: 89 total cpu time spent up to now is 64.6 secs Computing kpt #: 90 total cpu time spent up to now is 65.3 secs Computing kpt #: 91 total cpu time spent up to now is 65.9 secs Computing kpt #: 92 total cpu time spent up to now is 66.6 secs Computing kpt #: 93 total cpu time spent up to now is 67.3 secs Computing kpt #: 94 total cpu time spent up to now is 68.0 secs Computing kpt #: 95 total cpu time spent up to now is 68.6 secs Computing kpt #: 96 total cpu time spent up to now is 69.3 secs Computing kpt #: 97 total cpu time spent up to now is 70.0 secs Computing kpt #: 98 total cpu time spent up to now is 70.6 secs Computing kpt #: 99 total cpu time spent up to now is 71.3 secs Computing kpt #: 100 total cpu time spent up to now is 72.0 secs Computing kpt #: 101 total cpu time spent up to now is 72.7 secs Computing kpt #: 102 total cpu time spent up to now is 73.4 secs Computing kpt #: 103 total cpu time spent up to now is 74.1 secs Computing kpt #: 104 total cpu time spent up to now is 74.8 secs Computing kpt #: 105 total cpu time spent up to now is 75.4 secs Computing kpt #: 106 total cpu time spent up to now is 76.1 secs Computing kpt #: 107 total cpu time spent up to now is 76.8 secs Computing kpt #: 108 total cpu time spent up to now is 77.5 secs Computing kpt #: 109 total cpu time spent up to now is 78.2 secs Computing kpt #: 110 total cpu time spent up to now is 78.9 secs Computing kpt #: 111 total cpu time spent up to now is 79.6 secs Computing kpt #: 112 total cpu time spent up to now is 80.3 secs Computing kpt #: 113 total cpu time spent up to now is 81.0 secs Computing kpt #: 114 total cpu time spent up to now is 81.6 secs Computing kpt #: 115 total cpu time spent up to now is 82.3 secs Computing kpt #: 116 total cpu time spent up to now is 83.0 secs Computing kpt #: 117 total cpu time spent up to now is 83.7 secs Computing kpt #: 118 total cpu time spent up to now is 84.5 secs Computing kpt #: 119 total cpu time spent up to now is 85.2 secs Computing kpt #: 120 total cpu time spent up to now is 86.0 secs Computing kpt #: 121 total cpu time spent up to now is 86.7 secs Computing kpt #: 122 total cpu time spent up to now is 87.4 secs Computing kpt #: 123 total cpu time spent up to now is 88.1 secs Computing kpt #: 124 total cpu time spent up to now is 88.8 secs Computing kpt #: 125 total cpu time spent up to now is 89.5 secs Computing kpt #: 126 total cpu time spent up to now is 90.2 secs Computing kpt #: 127 total cpu time spent up to now is 90.9 secs Computing kpt #: 128 total cpu time spent up to now is 91.6 secs Computing kpt #: 129 total cpu time spent up to now is 92.4 secs Computing kpt #: 130 total cpu time spent up to now is 93.2 secs Computing kpt #: 131 total cpu time spent up to now is 94.2 secs Computing kpt #: 132 total cpu time spent up to now is 95.0 secs Computing kpt #: 133 total cpu time spent up to now is 95.7 secs Computing kpt #: 134 total cpu time spent up to now is 96.4 secs Computing kpt #: 135 total cpu time spent up to now is 97.2 secs Computing kpt #: 136 total cpu time spent up to now is 97.8 secs Computing kpt #: 137 total cpu time spent up to now is 98.5 secs Computing kpt #: 138 total cpu time spent up to now is 99.2 secs Computing kpt #: 139 total cpu time spent up to now is 99.9 secs Computing kpt #: 140 total cpu time spent up to now is 100.6 secs Computing kpt #: 141 total cpu time spent up to now is 101.3 secs Computing kpt #: 142 total cpu time spent up to now is 102.0 secs Computing kpt #: 143 total cpu time spent up to now is 102.7 secs Computing kpt #: 144 total cpu time spent up to now is 103.4 secs Computing kpt #: 145 total cpu time spent up to now is 104.1 secs Computing kpt #: 146 total cpu time spent up to now is 104.8 secs Computing kpt #: 147 total cpu time spent up to now is 105.6 secs Computing kpt #: 148 total cpu time spent up to now is 106.4 secs Computing kpt #: 149 total cpu time spent up to now is 107.2 secs Computing kpt #: 150 total cpu time spent up to now is 108.0 secs Computing kpt #: 151 total cpu time spent up to now is 108.7 secs Computing kpt #: 152 total cpu time spent up to now is 109.4 secs Computing kpt #: 153 total cpu time spent up to now is 110.2 secs Computing kpt #: 154 total cpu time spent up to now is 110.9 secs Computing kpt #: 155 total cpu time spent up to now is 111.6 secs Computing kpt #: 156 total cpu time spent up to now is 112.2 secs Computing kpt #: 157 total cpu time spent up to now is 112.9 secs Computing kpt #: 158 total cpu time spent up to now is 113.6 secs Computing kpt #: 159 total cpu time spent up to now is 114.3 secs Computing kpt #: 160 total cpu time spent up to now is 115.0 secs Computing kpt #: 161 total cpu time spent up to now is 115.7 secs Computing kpt #: 162 total cpu time spent up to now is 116.4 secs Computing kpt #: 163 total cpu time spent up to now is 117.1 secs Computing kpt #: 164 total cpu time spent up to now is 117.8 secs Computing kpt #: 165 total cpu time spent up to now is 118.5 secs Computing kpt #: 166 total cpu time spent up to now is 119.2 secs Computing kpt #: 167 total cpu time spent up to now is 119.9 secs Computing kpt #: 168 total cpu time spent up to now is 120.7 secs Computing kpt #: 169 total cpu time spent up to now is 121.5 secs Computing kpt #: 170 total cpu time spent up to now is 122.5 secs Computing kpt #: 171 total cpu time spent up to now is 123.5 secs Computing kpt #: 172 total cpu time spent up to now is 124.4 secs Computing kpt #: 173 total cpu time spent up to now is 125.2 secs Computing kpt #: 174 total cpu time spent up to now is 126.0 secs Computing kpt #: 175 total cpu time spent up to now is 126.8 secs Computing kpt #: 176 total cpu time spent up to now is 127.6 secs Computing kpt #: 177 total cpu time spent up to now is 128.4 secs Computing kpt #: 178 total cpu time spent up to now is 129.1 secs Computing kpt #: 179 total cpu time spent up to now is 129.8 secs Computing kpt #: 180 total cpu time spent up to now is 130.6 secs Computing kpt #: 181 total cpu time spent up to now is 131.3 secs Computing kpt #: 182 total cpu time spent up to now is 132.0 secs Computing kpt #: 183 total cpu time spent up to now is 132.7 secs Computing kpt #: 184 total cpu time spent up to now is 133.4 secs Computing kpt #: 185 total cpu time spent up to now is 134.1 secs Computing kpt #: 186 total cpu time spent up to now is 134.8 secs Computing kpt #: 187 total cpu time spent up to now is 135.6 secs Computing kpt #: 188 total cpu time spent up to now is 136.2 secs Computing kpt #: 189 total cpu time spent up to now is 137.0 secs Computing kpt #: 190 total cpu time spent up to now is 137.7 secs Computing kpt #: 191 total cpu time spent up to now is 138.4 secs Computing kpt #: 192 total cpu time spent up to now is 139.2 secs Computing kpt #: 193 total cpu time spent up to now is 139.9 secs Computing kpt #: 194 total cpu time spent up to now is 140.7 secs Computing kpt #: 195 total cpu time spent up to now is 141.5 secs Computing kpt #: 196 total cpu time spent up to now is 142.3 secs Computing kpt #: 197 total cpu time spent up to now is 143.1 secs Computing kpt #: 198 total cpu time spent up to now is 143.9 secs Computing kpt #: 199 total cpu time spent up to now is 144.6 secs Computing kpt #: 200 total cpu time spent up to now is 145.3 secs Computing kpt #: 201 total cpu time spent up to now is 146.0 secs Computing kpt #: 202 total cpu time spent up to now is 146.7 secs Computing kpt #: 203 total cpu time spent up to now is 147.4 secs Computing kpt #: 204 total cpu time spent up to now is 148.0 secs Computing kpt #: 205 total cpu time spent up to now is 148.7 secs Computing kpt #: 206 total cpu time spent up to now is 149.4 secs Computing kpt #: 207 total cpu time spent up to now is 150.2 secs Computing kpt #: 208 total cpu time spent up to now is 151.0 secs Computing kpt #: 209 total cpu time spent up to now is 151.9 secs Computing kpt #: 210 total cpu time spent up to now is 152.7 secs Computing kpt #: 211 total cpu time spent up to now is 153.6 secs Computing kpt #: 212 total cpu time spent up to now is 154.4 secs Computing kpt #: 213 total cpu time spent up to now is 155.3 secs Computing kpt #: 214 total cpu time spent up to now is 156.2 secs Computing kpt #: 215 total cpu time spent up to now is 157.1 secs Computing kpt #: 216 total cpu time spent up to now is 158.0 secs Computing kpt #: 217 total cpu time spent up to now is 158.9 secs Computing kpt #: 218 total cpu time spent up to now is 159.8 secs Computing kpt #: 219 total cpu time spent up to now is 160.7 secs Computing kpt #: 220 total cpu time spent up to now is 161.6 secs Computing kpt #: 221 total cpu time spent up to now is 162.4 secs Computing kpt #: 222 total cpu time spent up to now is 163.2 secs Computing kpt #: 223 total cpu time spent up to now is 164.0 secs Computing kpt #: 224 total cpu time spent up to now is 164.7 secs Computing kpt #: 225 total cpu time spent up to now is 165.4 secs Computing kpt #: 226 total cpu time spent up to now is 166.1 secs Computing kpt #: 227 total cpu time spent up to now is 166.8 secs Computing kpt #: 228 total cpu time spent up to now is 167.5 secs Computing kpt #: 229 total cpu time spent up to now is 168.3 secs Computing kpt #: 230 total cpu time spent up to now is 169.0 secs Computing kpt #: 231 total cpu time spent up to now is 169.7 secs Computing kpt #: 232 total cpu time spent up to now is 170.4 secs Computing kpt #: 233 total cpu time spent up to now is 171.1 secs Computing kpt #: 234 total cpu time spent up to now is 171.8 secs Computing kpt #: 235 total cpu time spent up to now is 172.5 secs Computing kpt #: 236 total cpu time spent up to now is 173.2 secs Computing kpt #: 237 total cpu time spent up to now is 174.0 secs Computing kpt #: 238 total cpu time spent up to now is 174.7 secs Computing kpt #: 239 total cpu time spent up to now is 175.4 secs Computing kpt #: 240 total cpu time spent up to now is 176.1 secs Computing kpt #: 241 total cpu time spent up to now is 176.9 secs Computing kpt #: 242 total cpu time spent up to now is 177.8 secs Computing kpt #: 243 total cpu time spent up to now is 178.7 secs Computing kpt #: 244 total cpu time spent up to now is 179.6 secs Computing kpt #: 245 total cpu time spent up to now is 180.5 secs Computing kpt #: 246 total cpu time spent up to now is 181.3 secs Computing kpt #: 247 total cpu time spent up to now is 182.3 secs Computing kpt #: 248 total cpu time spent up to now is 183.1 secs Computing kpt #: 249 total cpu time spent up to now is 184.0 secs Computing kpt #: 250 total cpu time spent up to now is 184.7 secs Computing kpt #: 251 total cpu time spent up to now is 185.5 secs Computing kpt #: 252 total cpu time spent up to now is 186.7 secs Computing kpt #: 253 total cpu time spent up to now is 188.0 secs Computing kpt #: 254 total cpu time spent up to now is 189.2 secs Computing kpt #: 255 total cpu time spent up to now is 190.2 secs Computing kpt #: 256 total cpu time spent up to now is 190.9 secs Computing kpt #: 257 total cpu time spent up to now is 191.7 secs Computing kpt #: 258 total cpu time spent up to now is 192.4 secs Computing kpt #: 259 total cpu time spent up to now is 193.1 secs Computing kpt #: 260 total cpu time spent up to now is 193.8 secs Computing kpt #: 261 total cpu time spent up to now is 194.6 secs Computing kpt #: 262 total cpu time spent up to now is 195.3 secs Computing kpt #: 263 total cpu time spent up to now is 196.2 secs Computing kpt #: 264 total cpu time spent up to now is 197.0 secs Computing kpt #: 265 total cpu time spent up to now is 197.8 secs Computing kpt #: 266 total cpu time spent up to now is 198.7 secs Computing kpt #: 267 total cpu time spent up to now is 199.5 secs Computing kpt #: 268 total cpu time spent up to now is 200.3 secs Computing kpt #: 269 total cpu time spent up to now is 201.2 secs Computing kpt #: 270 total cpu time spent up to now is 202.0 secs Computing kpt #: 271 total cpu time spent up to now is 202.9 secs Computing kpt #: 272 total cpu time spent up to now is 203.8 secs Computing kpt #: 273 total cpu time spent up to now is 204.7 secs Computing kpt #: 274 total cpu time spent up to now is 205.6 secs Computing kpt #: 275 total cpu time spent up to now is 206.5 secs Computing kpt #: 276 total cpu time spent up to now is 207.4 secs Computing kpt #: 277 total cpu time spent up to now is 208.2 secs Computing kpt #: 278 total cpu time spent up to now is 209.0 secs Computing kpt #: 279 total cpu time spent up to now is 209.8 secs Computing kpt #: 280 total cpu time spent up to now is 210.5 secs Computing kpt #: 281 total cpu time spent up to now is 211.2 secs Computing kpt #: 282 total cpu time spent up to now is 211.9 secs Computing kpt #: 283 total cpu time spent up to now is 212.6 secs Computing kpt #: 284 total cpu time spent up to now is 213.3 secs Computing kpt #: 285 total cpu time spent up to now is 214.0 secs Computing kpt #: 286 total cpu time spent up to now is 214.7 secs Computing kpt #: 287 total cpu time spent up to now is 215.3 secs Computing kpt #: 288 total cpu time spent up to now is 216.0 secs Computing kpt #: 289 total cpu time spent up to now is 216.7 secs Computing kpt #: 290 total cpu time spent up to now is 217.4 secs Computing kpt #: 291 total cpu time spent up to now is 218.1 secs Computing kpt #: 292 total cpu time spent up to now is 218.8 secs Computing kpt #: 293 total cpu time spent up to now is 219.5 secs Computing kpt #: 294 total cpu time spent up to now is 220.2 secs Computing kpt #: 295 total cpu time spent up to now is 220.9 secs Computing kpt #: 296 total cpu time spent up to now is 221.5 secs Computing kpt #: 297 total cpu time spent up to now is 222.2 secs Computing kpt #: 298 total cpu time spent up to now is 222.9 secs Computing kpt #: 299 total cpu time spent up to now is 223.6 secs Computing kpt #: 300 total cpu time spent up to now is 224.3 secs Computing kpt #: 301 total cpu time spent up to now is 225.0 secs Computing kpt #: 302 total cpu time spent up to now is 225.7 secs Computing kpt #: 303 total cpu time spent up to now is 226.3 secs Computing kpt #: 304 total cpu time spent up to now is 227.0 secs Computing kpt #: 305 total cpu time spent up to now is 227.7 secs Computing kpt #: 306 total cpu time spent up to now is 228.4 secs Computing kpt #: 307 total cpu time spent up to now is 229.1 secs Computing kpt #: 308 total cpu time spent up to now is 229.8 secs Computing kpt #: 309 total cpu time spent up to now is 230.5 secs Computing kpt #: 310 total cpu time spent up to now is 231.2 secs Computing kpt #: 311 total cpu time spent up to now is 231.8 secs Computing kpt #: 312 total cpu time spent up to now is 232.5 secs Computing kpt #: 313 total cpu time spent up to now is 233.2 secs Computing kpt #: 314 total cpu time spent up to now is 233.9 secs Computing kpt #: 315 total cpu time spent up to now is 234.6 secs Computing kpt #: 316 total cpu time spent up to now is 235.2 secs Computing kpt #: 317 total cpu time spent up to now is 235.9 secs Computing kpt #: 318 total cpu time spent up to now is 236.6 secs Computing kpt #: 319 total cpu time spent up to now is 237.3 secs Computing kpt #: 320 total cpu time spent up to now is 238.0 secs Computing kpt #: 321 total cpu time spent up to now is 238.7 secs Computing kpt #: 322 total cpu time spent up to now is 239.3 secs Computing kpt #: 323 total cpu time spent up to now is 240.0 secs Computing kpt #: 324 total cpu time spent up to now is 240.7 secs Computing kpt #: 325 total cpu time spent up to now is 241.4 secs Computing kpt #: 326 total cpu time spent up to now is 242.2 secs Computing kpt #: 327 total cpu time spent up to now is 242.9 secs Computing kpt #: 328 total cpu time spent up to now is 243.7 secs Computing kpt #: 329 total cpu time spent up to now is 244.5 secs Computing kpt #: 330 total cpu time spent up to now is 245.3 secs Computing kpt #: 331 total cpu time spent up to now is 246.2 secs Computing kpt #: 332 total cpu time spent up to now is 247.1 secs Computing kpt #: 333 total cpu time spent up to now is 247.9 secs Computing kpt #: 334 total cpu time spent up to now is 248.7 secs Computing kpt #: 335 total cpu time spent up to now is 249.5 secs Computing kpt #: 336 total cpu time spent up to now is 250.3 secs Computing kpt #: 337 total cpu time spent up to now is 251.0 secs Computing kpt #: 338 total cpu time spent up to now is 251.7 secs Computing kpt #: 339 total cpu time spent up to now is 252.4 secs Computing kpt #: 340 total cpu time spent up to now is 253.1 secs Computing kpt #: 341 total cpu time spent up to now is 253.8 secs Computing kpt #: 342 total cpu time spent up to now is 254.5 secs Computing kpt #: 343 total cpu time spent up to now is 255.2 secs Computing kpt #: 344 total cpu time spent up to now is 255.9 secs Computing kpt #: 345 total cpu time spent up to now is 256.7 secs Computing kpt #: 346 total cpu time spent up to now is 257.4 secs Computing kpt #: 347 total cpu time spent up to now is 258.1 secs Computing kpt #: 348 total cpu time spent up to now is 258.8 secs Computing kpt #: 349 total cpu time spent up to now is 259.5 secs Computing kpt #: 350 total cpu time spent up to now is 260.2 secs Computing kpt #: 351 total cpu time spent up to now is 260.9 secs Computing kpt #: 352 total cpu time spent up to now is 261.6 secs Computing kpt #: 353 total cpu time spent up to now is 262.3 secs Computing kpt #: 354 total cpu time spent up to now is 263.0 secs Computing kpt #: 355 total cpu time spent up to now is 263.7 secs Computing kpt #: 356 total cpu time spent up to now is 264.4 secs Computing kpt #: 357 total cpu time spent up to now is 265.1 secs Computing kpt #: 358 total cpu time spent up to now is 265.8 secs Computing kpt #: 359 total cpu time spent up to now is 266.5 secs Computing kpt #: 360 total cpu time spent up to now is 267.2 secs Computing kpt #: 361 total cpu time spent up to now is 267.9 secs Computing kpt #: 362 total cpu time spent up to now is 268.6 secs Computing kpt #: 363 total cpu time spent up to now is 269.3 secs Computing kpt #: 364 total cpu time spent up to now is 270.0 secs Computing kpt #: 365 total cpu time spent up to now is 270.6 secs Computing kpt #: 366 total cpu time spent up to now is 271.3 secs Computing kpt #: 367 total cpu time spent up to now is 272.0 secs Computing kpt #: 368 total cpu time spent up to now is 272.7 secs Computing kpt #: 369 total cpu time spent up to now is 273.4 secs Computing kpt #: 370 total cpu time spent up to now is 274.1 secs Computing kpt #: 371 total cpu time spent up to now is 274.7 secs Computing kpt #: 372 total cpu time spent up to now is 275.4 secs Computing kpt #: 373 total cpu time spent up to now is 276.1 secs Computing kpt #: 374 total cpu time spent up to now is 276.8 secs Computing kpt #: 375 total cpu time spent up to now is 277.5 secs Computing kpt #: 376 total cpu time spent up to now is 278.2 secs Computing kpt #: 377 total cpu time spent up to now is 278.9 secs Computing kpt #: 378 total cpu time spent up to now is 279.6 secs Computing kpt #: 379 total cpu time spent up to now is 280.3 secs Computing kpt #: 380 total cpu time spent up to now is 281.0 secs Computing kpt #: 381 total cpu time spent up to now is 281.7 secs Computing kpt #: 382 total cpu time spent up to now is 282.5 secs Computing kpt #: 383 total cpu time spent up to now is 283.2 secs Computing kpt #: 384 total cpu time spent up to now is 284.0 secs Computing kpt #: 385 total cpu time spent up to now is 284.8 secs Computing kpt #: 386 total cpu time spent up to now is 285.7 secs Computing kpt #: 387 total cpu time spent up to now is 286.5 secs Computing kpt #: 388 total cpu time spent up to now is 287.4 secs Computing kpt #: 389 total cpu time spent up to now is 288.3 secs Computing kpt #: 390 total cpu time spent up to now is 289.2 secs Computing kpt #: 391 total cpu time spent up to now is 290.1 secs Computing kpt #: 392 total cpu time spent up to now is 290.9 secs Computing kpt #: 393 total cpu time spent up to now is 291.8 secs Computing kpt #: 394 total cpu time spent up to now is 292.7 secs Computing kpt #: 395 total cpu time spent up to now is 293.5 secs Computing kpt #: 396 total cpu time spent up to now is 294.3 secs Computing kpt #: 397 total cpu time spent up to now is 295.1 secs Computing kpt #: 398 total cpu time spent up to now is 295.9 secs Computing kpt #: 399 total cpu time spent up to now is 296.6 secs Computing kpt #: 400 total cpu time spent up to now is 297.3 secs Computing kpt #: 401 total cpu time spent up to now is 297.9 secs Computing kpt #: 402 total cpu time spent up to now is 298.6 secs Computing kpt #: 403 total cpu time spent up to now is 299.3 secs Computing kpt #: 404 total cpu time spent up to now is 300.0 secs Computing kpt #: 405 total cpu time spent up to now is 300.6 secs Computing kpt #: 406 total cpu time spent up to now is 301.3 secs Computing kpt #: 407 total cpu time spent up to now is 302.0 secs Computing kpt #: 408 total cpu time spent up to now is 302.6 secs Computing kpt #: 409 total cpu time spent up to now is 303.3 secs Computing kpt #: 410 total cpu time spent up to now is 303.9 secs Computing kpt #: 411 total cpu time spent up to now is 304.6 secs Computing kpt #: 412 total cpu time spent up to now is 305.3 secs Computing kpt #: 413 total cpu time spent up to now is 306.0 secs Computing kpt #: 414 total cpu time spent up to now is 306.7 secs Computing kpt #: 415 total cpu time spent up to now is 307.3 secs Computing kpt #: 416 total cpu time spent up to now is 308.0 secs Computing kpt #: 417 total cpu time spent up to now is 308.7 secs Computing kpt #: 418 total cpu time spent up to now is 309.4 secs Computing kpt #: 419 total cpu time spent up to now is 310.1 secs Computing kpt #: 420 total cpu time spent up to now is 310.8 secs Computing kpt #: 421 total cpu time spent up to now is 311.5 secs Computing kpt #: 422 total cpu time spent up to now is 312.2 secs Computing kpt #: 423 total cpu time spent up to now is 312.9 secs Computing kpt #: 424 total cpu time spent up to now is 313.6 secs Computing kpt #: 425 total cpu time spent up to now is 314.3 secs Computing kpt #: 426 total cpu time spent up to now is 315.0 secs Computing kpt #: 427 total cpu time spent up to now is 315.8 secs Computing kpt #: 428 total cpu time spent up to now is 316.5 secs Computing kpt #: 429 total cpu time spent up to now is 317.3 secs Computing kpt #: 430 total cpu time spent up to now is 318.1 secs Computing kpt #: 431 total cpu time spent up to now is 319.0 secs Computing kpt #: 432 total cpu time spent up to now is 319.9 secs ethr = 2.50E-11, avg # of iterations = 20.4 total cpu time spent up to now is 319.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3495 PWs) bands (ev): -5.9543 -5.9543 -3.7024 -3.7024 -2.5000 -2.5000 -1.9805 -1.9805 3.1797 3.1797 4.4142 4.4142 5.5315 5.5315 5.6177 5.6177 6.6756 6.6756 6.8272 6.8272 7.1082 7.1082 7.2261 7.2261 7.2359 7.2359 9.0585 9.0585 9.3287 9.3287 9.4617 9.4617 9.4864 9.4864 9.5252 9.5252 9.5917 9.5917 9.9178 9.9178 11.2996 11.2996 11.6560 11.6560 13.0736 13.0736 13.1453 13.1453 k = 0.0114-0.0000-0.0000 ( 3487 PWs) bands (ev): -5.9532 -5.9532 -3.7024 -3.7024 -2.4994 -2.4994 -1.9802 -1.9802 3.1810 3.1810 4.4145 4.4145 5.5318 5.5318 5.6164 5.6164 6.6692 6.6692 6.8267 6.8267 7.1067 7.1067 7.2264 7.2264 7.2380 7.2380 9.0622 9.0622 9.3265 9.3265 9.3941 9.3941 9.5010 9.5010 9.5652 9.5652 9.5986 9.5986 9.9189 9.9189 11.3003 11.3003 11.6562 11.6562 13.0706 13.0706 13.1440 13.1440 k = 0.0227-0.0000-0.0000 ( 3483 PWs) bands (ev): -5.9502 -5.9502 -3.7022 -3.7022 -2.4979 -2.4979 -1.9795 -1.9795 3.1849 3.1849 4.4154 4.4154 5.5328 5.5328 5.6128 5.6128 6.6503 6.6503 6.8254 6.8254 7.1021 7.1021 7.2272 7.2272 7.2440 7.2440 9.0729 9.0729 9.3043 9.3043 9.3199 9.3199 9.5014 9.5014 9.5799 9.5799 9.6546 9.6546 9.9221 9.9221 11.3022 11.3022 11.6570 11.6570 13.0614 13.0614 13.1395 13.1395 k = 0.0341-0.0000-0.0000 ( 3479 PWs) bands (ev): -5.9450 -5.9450 -3.7020 -3.7020 -2.4953 -2.4953 -1.9784 -1.9784 3.1915 3.1915 4.4169 4.4169 5.5344 5.5344 5.6069 5.6069 6.6196 6.6196 6.8230 6.8230 7.0948 7.0948 7.2284 7.2284 7.2538 7.2538 9.0897 9.0897 9.2090 9.2090 9.3089 9.3089 9.4999 9.4999 9.5772 9.5772 9.7236 9.7236 9.9276 9.9276 11.3053 11.3053 11.6583 11.6583 13.0453 13.0453 13.1314 13.1314 k = 0.0455-0.0000-0.0000 ( 3479 PWs) bands (ev): -5.9379 -5.9379 -3.7017 -3.7017 -2.4917 -2.4917 -1.9768 -1.9768 3.2007 3.2007 4.4188 4.4188 5.5364 5.5364 5.5988 5.5988 6.5781 6.5781 6.8197 6.8197 7.0853 7.0853 7.2296 7.2296 7.2673 7.2673 9.0993 9.0993 9.1213 9.1213 9.2941 9.2941 9.4974 9.4974 9.5717 9.5717 9.7888 9.7888 9.9354 9.9354 11.3097 11.3097 11.6599 11.6599 13.0213 13.0213 13.1186 13.1186 k = 0.0568-0.0000-0.0000 ( 3473 PWs) bands (ev): -5.9287 -5.9287 -3.7014 -3.7014 -2.4871 -2.4871 -1.9748 -1.9748 3.2124 3.2124 4.4210 4.4210 5.5385 5.5385 5.5891 5.5891 6.5271 6.5271 6.8153 6.8153 7.0741 7.0741 7.2303 7.2303 7.2842 7.2842 9.0028 9.0028 9.1397 9.1397 9.2761 9.2761 9.4941 9.4941 9.5643 9.5643 9.8484 9.8484 9.9460 9.9460 11.3152 11.3152 11.6618 11.6618 12.9874 12.9874 13.1003 13.1003 k = 0.0682-0.0000-0.0000 ( 3475 PWs) bands (ev): -5.9175 -5.9175 -3.7011 -3.7011 -2.4816 -2.4816 -1.9724 -1.9724 3.2268 3.2268 4.4235 4.4235 5.5399 5.5399 5.5786 5.5786 6.4683 6.4683 6.8096 6.8096 7.0615 7.0615 7.2301 7.2301 7.3043 7.3043 8.8958 8.8958 9.1667 9.1667 9.2561 9.2561 9.4899 9.4899 9.5552 9.5552 9.9010 9.9010 9.9604 9.9604 11.3220 11.3220 11.6640 11.6640 12.9411 12.9411 13.0768 13.0768 k = 0.0795-0.0000-0.0000 ( 3475 PWs) bands (ev): -5.9043 -5.9043 -3.7008 -3.7008 -2.4750 -2.4750 -1.9696 -1.9696 3.2437 3.2437 4.4261 4.4261 5.5385 5.5385 5.5696 5.5696 6.4032 6.4032 6.8028 6.8028 7.0478 7.0478 7.2288 7.2288 7.3274 7.3274 8.7859 8.7859 9.1903 9.1903 9.2384 9.2384 9.4848 9.4848 9.5446 9.5446 9.9422 9.9422 9.9829 9.9829 11.3298 11.3298 11.6662 11.6662 12.8812 12.8812 13.0497 13.0497 k = 0.0909-0.0000-0.0000 ( 3473 PWs) bands (ev): -5.8891 -5.8891 -3.7006 -3.7006 -2.4675 -2.4675 -1.9664 -1.9664 3.2632 3.2632 4.4284 4.4284 5.5306 5.5306 5.5658 5.5658 6.3335 6.3335 6.7945 6.7945 7.0331 7.0331 7.2260 7.2260 7.3534 7.3534 8.6740 8.6740 9.1899 9.1899 9.2426 9.2426 9.4787 9.4787 9.5329 9.5329 9.9684 9.9684 10.0169 10.0169 11.3387 11.3387 11.6685 11.6685 12.8086 12.8086 13.0207 13.0207 k = 0.1023-0.0000-0.0000 ( 3481 PWs) bands (ev): -5.8719 -5.8719 -3.7006 -3.7006 -2.4590 -2.4590 -1.9628 -1.9628 3.2852 3.2852 4.4304 4.4304 5.5167 5.5167 5.5668 5.5668 6.2609 6.2609 6.7845 6.7845 7.0174 7.0174 7.2215 7.2215 7.3819 7.3819 8.5605 8.5605 9.1678 9.1678 9.2662 9.2662 9.4715 9.4715 9.5201 9.5201 9.9876 9.9876 10.0542 10.0542 11.3486 11.3486 11.6707 11.6707 12.7258 12.7258 12.9907 12.9907 k = 0.1136-0.0000-0.0000 ( 3481 PWs) bands (ev): -5.8527 -5.8527 -3.7008 -3.7008 -2.4496 -2.4496 -1.9589 -1.9589 3.3097 3.3097 4.4316 4.4316 5.4994 5.4994 5.5699 5.5699 6.1869 6.1869 6.7729 6.7729 7.0004 7.0004 7.2154 7.2154 7.4126 7.4126 8.4463 8.4463 9.1413 9.1413 9.2916 9.2916 9.4630 9.4630 9.5068 9.5068 10.0053 10.0053 10.0892 10.0892 11.3595 11.3595 11.6727 11.6727 12.6359 12.6359 12.9600 12.9600 k = 0.1250-0.0000-0.0000 ( 3481 PWs) bands (ev): -5.8317 -5.8317 -3.7012 -3.7012 -2.4394 -2.4394 -1.9547 -1.9547 3.3366 3.3366 4.4318 4.4318 5.4804 5.4804 5.5737 5.5737 6.1132 6.1132 6.7593 6.7593 6.9820 6.9820 7.2075 7.2075 7.4454 7.4454 8.3321 8.3321 9.1139 9.1139 9.3146 9.3146 9.4534 9.4534 9.4935 9.4935 10.0227 10.0227 10.1205 10.1205 11.3712 11.3712 11.6745 11.6745 12.5413 12.5413 12.9285 12.9285 k = 0.1364-0.0000-0.0000 ( 3481 PWs) bands (ev): -5.8087 -5.8087 -3.7021 -3.7021 -2.4282 -2.4282 -1.9502 -1.9502 3.3659 3.3659 4.4305 4.4305 5.4602 5.4602 5.5774 5.5774 6.0410 6.0410 6.7434 6.7434 6.9617 6.9617 7.1982 7.1982 7.4799 7.4799 8.2186 8.2186 9.0869 9.0869 9.3330 9.3330 9.4436 9.4436 9.4809 9.4809 10.0396 10.0396 10.1481 10.1481 11.3836 11.3836 11.6762 11.6762 12.4441 12.4441 12.8964 12.8964 k = 0.1477-0.0000-0.0000 ( 3471 PWs) bands (ev): -5.7839 -5.7839 -3.7033 -3.7033 -2.4163 -2.4163 -1.9454 -1.9454 3.3976 3.3976 4.4272 4.4272 5.4393 5.4393 5.5806 5.5806 5.9718 5.9718 6.7251 6.7251 6.9392 6.9392 7.1876 7.1876 7.5160 7.5160 8.1067 8.1067 9.0612 9.0612 9.3437 9.3437 9.4362 9.4362 9.4691 9.4691 10.0559 10.0559 10.1718 10.1718 11.3965 11.3965 11.6776 11.6776 12.3460 12.3460 12.8635 12.8635 k = 0.1591-0.0000-0.0000 ( 3479 PWs) bands (ev): -5.7572 -5.7572 -3.7051 -3.7051 -2.4036 -2.4036 -1.9405 -1.9405 3.4316 3.4316 4.4216 4.4216 5.4179 5.4179 5.5828 5.5828 5.9069 5.9069 6.7040 6.7040 6.9137 6.9137 7.1763 7.1763 7.5533 7.5533 7.9971 7.9971 9.0370 9.0370 9.3427 9.3427 9.4351 9.4351 9.4581 9.4581 10.0711 10.0711 10.1918 10.1918 11.4098 11.4098 11.6790 11.6790 12.2481 12.2481 12.8297 12.8297 k = 0.1705-0.0000-0.0000 ( 3485 PWs) bands (ev): -5.7287 -5.7287 -3.7076 -3.7076 -2.3901 -2.3901 -1.9354 -1.9354 3.4678 3.4678 4.4131 4.4131 5.3964 5.3964 5.5833 5.5833 5.8476 5.8476 6.6798 6.6798 6.8847 6.8847 7.1648 7.1648 7.5915 7.5915 7.8909 7.8909 9.0149 9.0149 9.3296 9.3296 9.4404 9.4404 9.4485 9.4485 10.0849 10.0849 10.2083 10.2083 11.4234 11.4234 11.6802 11.6802 12.1517 12.1517 12.7950 12.7950 k = 0.1818-0.0000-0.0000 ( 3489 PWs) bands (ev): -5.6985 -5.6985 -3.7107 -3.7107 -2.3760 -2.3760 -1.9302 -1.9302 3.5061 3.5061 4.4016 4.4016 5.3751 5.3751 5.5817 5.5817 5.7950 5.7950 6.6523 6.6523 6.8517 6.8517 7.1536 7.1536 7.6305 7.6305 7.7889 7.7889 8.9951 8.9951 9.3085 9.3085 9.4365 9.4365 9.4525 9.4525 10.0970 10.0970 10.2214 10.2214 11.4371 11.4371 11.6813 11.6813 12.0576 12.0576 12.7594 12.7594 k = 0.1932-0.0000-0.0000 ( 3489 PWs) bands (ev): -5.6665 -5.6665 -3.7147 -3.7147 -2.3611 -2.3611 -1.9248 -1.9248 3.5465 3.5465 4.3866 4.3866 5.3541 5.3541 5.5772 5.5772 5.7500 5.7500 6.6211 6.6211 6.8143 6.8143 7.1433 7.1433 7.6699 7.6699 7.6919 7.6919 8.9780 8.9780 9.2823 9.2823 9.4269 9.4269 9.4637 9.4637 10.1071 10.1071 10.2313 10.2313 11.4508 11.4508 11.6823 11.6823 11.9669 11.9669 12.7227 12.7227 k = 0.2045-0.0000-0.0000 ( 3481 PWs) bands (ev): -5.6329 -5.6329 -3.7196 -3.7196 -2.3457 -2.3457 -1.9195 -1.9195 3.5886 3.5886 4.3683 4.3683 5.3339 5.3339 5.5691 5.5691 5.7133 5.7133 6.5861 6.5861 6.7725 6.7725 7.1343 7.1343 7.6007 7.6007 7.7096 7.7096 8.9635 8.9635 9.2526 9.2526 9.4173 9.4173 9.4751 9.4751 10.1152 10.1152 10.2383 10.2383 11.4644 11.4644 11.6829 11.6829 11.8804 11.8804 12.6848 12.6848 k = 0.2159-0.0000-0.0000 ( 3481 PWs) bands (ev): -5.5976 -5.5976 -3.7255 -3.7255 -2.3297 -2.3297 -1.9141 -1.9141 3.6324 3.6324 4.3467 4.3467 5.3145 5.3145 5.5571 5.5571 5.6850 5.6850 6.5472 6.5472 6.7263 6.7263 7.1270 7.1270 7.5158 7.5158 7.7490 7.7490 8.9517 8.9517 9.2206 9.2206 9.4078 9.4078 9.4861 9.4861 10.1210 10.1210 10.2424 10.2424 11.4776 11.4776 11.6817 11.6817 11.8004 11.8004 12.6458 12.6458 k = 0.2273-0.0000-0.0000 ( 3481 PWs) bands (ev): -5.5608 -5.5608 -3.7326 -3.7326 -2.3132 -2.3132 -1.9088 -1.9088 3.6776 3.6776 4.3224 4.3224 5.2963 5.2963 5.5412 5.5412 5.6641 5.6641 6.5047 6.5047 6.6761 6.6761 7.1215 7.1215 7.4375 7.4375 7.7878 7.7878 8.9424 8.9424 9.1866 9.1866 9.3987 9.3987 9.4965 9.4965 10.1246 10.1246 10.2438 10.2438 11.4905 11.4905 11.6698 11.6698 11.7362 11.7362 12.6055 12.6055 k = 0.2386-0.0000-0.0000 ( 3485 PWs) bands (ev): -5.5224 -5.5224 -3.7409 -3.7409 -2.2963 -2.2963 -1.9037 -1.9037 3.7237 3.7237 4.2963 4.2963 5.2793 5.2793 5.5220 5.5220 5.6493 5.6493 6.4592 6.4592 6.6226 6.6226 7.1179 7.1179 7.3658 7.3658 7.8259 7.8259 8.9355 8.9355 9.1510 9.1510 9.3901 9.3901 9.5062 9.5062 10.1258 10.1258 10.2426 10.2426 11.5030 11.5030 11.6233 11.6233 11.7124 11.7124 12.5638 12.5638 k = 0.2500-0.0000-0.0000 ( 3491 PWs) bands (ev): -5.4826 -5.4826 -3.7505 -3.7505 -2.2789 -2.2789 -1.8986 -1.8986 3.7700 3.7700 4.2696 4.2696 5.2636 5.2636 5.4991 5.4991 5.6399 5.6399 6.4113 6.4113 6.5665 6.5665 7.1162 7.1162 7.3003 7.3003 7.8625 7.8625 8.9308 8.9308 9.1145 9.1145 9.3821 9.3821 9.5153 9.5153 10.1247 10.1247 10.2389 10.2389 11.5148 11.5148 11.5605 11.5605 11.7113 11.7113 12.5208 12.5208 k = 0.2614-0.0000-0.0000 ( 3493 PWs) bands (ev): -5.4413 -5.4413 -3.7617 -3.7617 -2.2612 -2.2612 -1.8938 -1.8938 3.8155 3.8155 4.2442 4.2442 5.2492 5.2492 5.4713 5.4713 5.6358 5.6358 6.3622 6.3622 6.5084 6.5084 7.1162 7.1162 7.2408 7.2408 7.8974 7.8974 8.9281 8.9281 9.0774 9.0774 9.3748 9.3748 9.5238 9.5238 10.1214 10.1214 10.2329 10.2329 11.4980 11.4980 11.5270 11.5270 11.7155 11.7155 12.4763 12.4763 k = 0.2727-0.0000-0.0000 ( 3493 PWs) bands (ev): -5.3988 -5.3988 -3.7743 -3.7743 -2.2433 -2.2433 -1.8892 -1.8892 3.8584 3.8584 4.2227 4.2227 5.2361 5.2361 5.4375 5.4375 5.6372 5.6372 6.3132 6.3132 6.4488 6.4488 7.1171 7.1171 7.1871 7.1871 7.9299 7.9299 8.9271 8.9271 9.0405 9.0405 9.3686 9.3686 9.5319 9.5319 10.1160 10.1160 10.2247 10.2247 11.4410 11.4410 11.5376 11.5376 11.7222 11.7222 12.4304 12.4304 k = 0.2841-0.0000-0.0000 ( 3497 PWs) bands (ev): -5.3550 -5.3550 -3.7886 -3.7886 -2.2251 -2.2251 -1.8850 -1.8850 3.8955 3.8955 4.2089 4.2089 5.2241 5.2241 5.3968 5.3968 5.6441 5.6441 6.2653 6.2653 6.3882 6.3882 7.1122 7.1122 7.1452 7.1452 7.9594 7.9594 8.9274 8.9274 9.0042 9.0042 9.3634 9.3634 9.5395 9.5395 10.1086 10.1086 10.2144 10.2144 11.3891 11.3891 11.5479 11.5479 11.7307 11.7307 12.3831 12.3831 k = 0.2955-0.0000-0.0000 ( 3496 PWs) bands (ev): -5.3100 -5.3100 -3.8046 -3.8046 -2.2068 -2.2068 -1.8811 -1.8811 3.9227 3.9227 4.2077 4.2077 5.2130 5.2130 5.3492 5.3492 5.6563 5.6563 6.2194 6.2194 6.3270 6.3270 7.0782 7.0782 7.1376 7.1376 7.9852 7.9852 8.9290 8.9290 8.9696 8.9696 9.3594 9.3594 9.5469 9.5469 10.0992 10.0992 10.2021 10.2021 11.3427 11.3427 11.5577 11.5577 11.7411 11.7411 12.3345 12.3345 k = 0.3068-0.0000-0.0000 ( 3490 PWs) bands (ev): -5.2638 -5.2638 -3.8224 -3.8224 -2.1884 -2.1884 -1.8777 -1.8777 3.9367 3.9367 4.2230 4.2230 5.2018 5.2018 5.2962 5.2962 5.6732 5.6732 6.1757 6.1757 6.2655 6.2655 7.0346 7.0346 7.1442 7.1442 8.0065 8.0065 8.9301 8.9301 8.9385 8.9385 9.3570 9.3570 9.5539 9.5539 10.0880 10.0880 10.1879 10.1879 11.3021 11.3021 11.5669 11.5669 11.7533 11.7533 12.2847 12.2847 k = 0.3182-0.0000-0.0000 ( 3498 PWs) bands (ev): -5.2167 -5.2167 -3.8420 -3.8420 -2.1700 -2.1700 -1.8747 -1.8747 3.9381 3.9381 4.2549 4.2549 5.1853 5.1853 5.2437 5.2437 5.6941 5.6941 6.1344 6.1344 6.2040 6.2040 6.9913 6.9913 7.1543 7.1543 8.0226 8.0226 8.9070 8.9070 8.9354 8.9354 9.3561 9.3561 9.5606 9.5606 10.0750 10.0750 10.1721 10.1721 11.2672 11.2672 11.5757 11.5757 11.7674 11.7674 12.2337 12.2337 k = 0.3295-0.0000-0.0000 ( 3502 PWs) bands (ev): -5.1687 -5.1687 -3.8636 -3.8636 -2.1516 -2.1516 -1.8722 -1.8722 3.9313 3.9313 4.2992 4.2992 5.1442 5.1442 5.2123 5.2123 5.7184 5.7184 6.0952 6.0952 6.1429 6.1429 6.9488 6.9488 7.1669 7.1669 8.0325 8.0325 8.8819 8.8819 8.9387 8.9387 9.3569 9.3569 9.5671 9.5671 10.0605 10.0605 10.1548 10.1548 11.2381 11.2381 11.5840 11.5840 11.7834 11.7834 12.1816 12.1816 k = 0.3409-0.0000-0.0000 ( 3502 PWs) bands (ev): -5.1198 -5.1198 -3.8871 -3.8871 -2.1333 -2.1333 -1.8703 -1.8703 3.9208 3.9208 4.3519 4.3519 5.0797 5.0797 5.2021 5.2021 5.7451 5.7451 6.0574 6.0574 6.0827 6.0827 6.9071 6.9071 7.1817 7.1817 8.0358 8.0358 8.8614 8.8614 8.9424 8.9424 9.3594 9.3594 9.5735 9.5735 10.0447 10.0447 10.1361 10.1361 11.2147 11.2147 11.5919 11.5919 11.8014 11.8014 12.1288 12.1288 k = 0.3523-0.0000-0.0000 ( 3500 PWs) bands (ev): -5.0701 -5.0701 -3.9125 -3.9125 -2.1153 -2.1153 -1.8691 -1.8691 3.9100 3.9100 4.4098 4.4098 5.0078 5.0078 5.1984 5.1984 5.7731 5.7731 6.0174 6.0174 6.0273 6.0273 6.8659 6.8659 7.1986 7.1986 8.0320 8.0320 8.8462 8.8462 8.9461 8.9461 9.3639 9.3639 9.5796 9.5796 10.0278 10.0278 10.1164 10.1164 11.1970 11.1970 11.5996 11.5996 11.8214 11.8214 12.0751 12.0751 k = 0.3636-0.0000-0.0000 ( 3496 PWs) bands (ev): -5.0199 -5.0199 -3.9400 -3.9400 -2.0975 -2.0975 -1.8685 -1.8685 3.9008 3.9008 4.4709 4.4709 4.9333 4.9333 5.1981 5.1981 5.8002 5.8002 5.9623 5.9623 5.9910 5.9910 6.8251 6.8251 7.2176 7.2176 8.0210 8.0210 8.8364 8.8364 8.9496 8.9496 9.3703 9.3703 9.5855 9.5855 10.0099 10.0099 10.0957 10.0957 11.1848 11.1848 11.6070 11.6070 11.8434 11.8434 12.0209 12.0209 k = 0.3750-0.0000-0.0000 ( 3494 PWs) bands (ev): -4.9691 -4.9691 -3.9694 -3.9694 -2.0800 -2.0800 -1.8686 -1.8686 3.8944 3.8944 4.5336 4.5336 4.8584 4.8584 5.2003 5.2003 5.8214 5.8214 5.9053 5.9053 5.9648 5.9648 6.7844 6.7844 7.2386 7.2386 8.0033 8.0033 8.8318 8.8318 8.9526 8.9526 9.3786 9.3786 9.5911 9.5911 9.9914 9.9914 10.0744 10.0744 11.1780 11.1780 11.6142 11.6142 11.8673 11.8673 11.9664 11.9664 k = 0.3864-0.0000-0.0000 ( 3490 PWs) bands (ev): -4.9179 -4.9179 -4.0008 -4.0008 -2.0628 -2.0628 -1.8694 -1.8694 3.8917 3.8917 4.5947 4.5947 4.7867 4.7867 5.2049 5.2049 5.8251 5.8251 5.8501 5.8501 5.9560 5.9560 6.7438 6.7438 7.2616 7.2616 7.9794 7.9794 8.8318 8.8318 8.9551 8.9551 9.3887 9.3887 9.5962 9.5962 9.9725 9.9725 10.0526 10.0526 11.1764 11.1764 11.6214 11.6214 11.8922 11.8922 11.9123 11.9123 k = 0.3977-0.0000-0.0000 ( 3486 PWs) bands (ev): -4.8664 -4.8664 -4.0342 -4.0342 -2.0462 -2.0462 -1.8711 -1.8711 3.8931 3.8931 4.6372 4.6372 4.7357 4.7357 5.2117 5.2117 5.7938 5.7938 5.8077 5.8077 5.9707 5.9707 6.7031 6.7031 7.2866 7.2866 7.9503 7.9503 8.8358 8.8358 8.9569 8.9569 9.4007 9.4007 9.6007 9.6007 9.9537 9.9537 10.0307 10.0307 11.1799 11.1799 11.6286 11.6286 11.8564 11.8564 11.9160 11.9160 k = 0.4091-0.0000-0.0000 ( 3490 PWs) bands (ev): -4.8147 -4.8147 -4.0694 -4.0694 -2.0300 -2.0300 -1.8736 -1.8736 3.8990 3.8990 4.6052 4.6052 4.7613 4.7613 5.2209 5.2209 5.7424 5.7424 5.7716 5.7716 6.0002 6.0002 6.6624 6.6624 7.3135 7.3135 7.9170 7.9170 8.8427 8.8427 8.9578 8.9578 9.4144 9.4144 9.6043 9.6043 9.9353 9.9353 10.0090 10.0090 11.1884 11.1884 11.6359 11.6359 11.8021 11.8021 11.8973 11.8973 k = 0.4205-0.0000-0.0000 ( 3486 PWs) bands (ev): -4.7630 -4.7630 -4.1065 -4.1065 -2.0144 -2.0144 -1.8769 -1.8769 3.9096 3.9096 4.5399 4.5399 4.8227 4.8227 5.2323 5.2323 5.6924 5.6924 5.7285 5.7285 6.0362 6.0362 6.6215 6.6215 7.3424 7.3424 7.8803 7.8803 8.8518 8.8518 8.9578 8.9578 9.4297 9.4297 9.6067 9.6067 9.9181 9.9181 9.9877 9.9877 11.2016 11.2016 11.6434 11.6434 11.7483 11.7483 11.8669 11.8669 k = 0.4318-0.0000-0.0000 ( 3482 PWs) bands (ev): -4.7113 -4.7113 -4.1454 -4.1454 -1.9994 -1.9994 -1.8810 -1.8810 3.9251 3.9251 4.4717 4.4717 4.8896 4.8896 5.2458 5.2458 5.6445 5.6445 5.6810 5.6810 6.0752 6.0752 6.5804 6.5804 7.3732 7.3732 7.8412 7.8412 8.8623 8.8623 8.9568 8.9568 9.4463 9.4463 9.6074 9.6074 9.9025 9.9025 9.9672 9.9672 11.2193 11.2193 11.6508 11.6508 11.6959 11.6959 11.8386 11.8386 k = 0.4432-0.0000-0.0000 ( 3470 PWs) bands (ev): -4.6598 -4.6598 -4.1859 -4.1859 -1.9850 -1.9850 -1.8861 -1.8861 3.9455 3.9455 4.4049 4.4049 4.9577 4.9577 5.2613 5.2613 5.5988 5.5988 5.6309 5.6309 6.1160 6.1160 6.5390 6.5390 7.4057 7.4057 7.8006 7.8006 8.8736 8.8736 8.9547 8.9547 9.4641 9.4641 9.6060 9.6060 9.8894 9.8894 9.9478 9.9478 11.2414 11.2414 11.6400 11.6400 11.6633 11.6633 11.8128 11.8128 k = 0.4545-0.0000-0.0000 ( 3478 PWs) bands (ev): -4.6087 -4.6087 -4.2280 -4.2280 -1.9714 -1.9714 -1.8920 -1.8920 3.9709 3.9709 4.3408 4.3408 5.0258 5.0258 5.2780 5.2780 5.5550 5.5550 5.5799 5.5799 6.1578 6.1578 6.4974 6.4974 7.4400 7.4400 7.7588 7.7588 8.8850 8.8850 8.9514 8.9514 9.4825 9.4825 9.6019 9.6019 9.8794 9.8794 9.9297 9.9297 11.2675 11.2675 11.5911 11.5911 11.6707 11.6707 11.7895 11.7895 k = 0.4659-0.0000-0.0000 ( 3486 PWs) bands (ev): -4.5581 -4.5581 -4.2717 -4.2717 -1.9586 -1.9586 -1.8989 -1.8989 4.0012 4.0012 4.2799 4.2799 5.0929 5.0929 5.2946 5.2946 5.5118 5.5118 5.5314 5.5314 6.2001 6.2001 6.4555 6.4555 7.4759 7.4759 7.7167 7.7167 8.8963 8.8963 8.9469 8.9469 9.5015 9.5015 9.5948 9.5948 9.8729 9.8729 9.9133 9.9133 11.2974 11.2974 11.5422 11.5422 11.6806 11.6806 11.7685 11.7685 k = 0.4773-0.0000-0.0000 ( 3482 PWs) bands (ev): -4.5081 -4.5081 -4.3167 -4.3167 -1.9465 -1.9465 -1.9066 -1.9066 4.0363 4.0363 4.2228 4.2228 5.1580 5.1580 5.3069 5.3069 5.4693 5.4693 5.4908 5.4908 6.2428 6.2428 6.4134 6.4134 7.5133 7.5133 7.6746 7.6746 8.9071 8.9071 8.9412 8.9412 9.5204 9.5204 9.5846 9.5846 9.8707 9.8707 9.8990 9.8990 11.3309 11.3309 11.4951 11.4951 11.6916 11.6916 11.7497 11.7497 k = 0.4886-0.0000-0.0000 ( 3478 PWs) bands (ev): -4.4588 -4.4588 -4.3629 -4.3629 -1.9352 -1.9352 -1.9153 -1.9153 4.0762 4.0762 4.1696 4.1696 5.2191 5.2191 5.3035 5.3035 5.4399 5.4399 5.4592 5.4592 6.2856 6.2856 6.3710 6.3710 7.5521 7.5521 7.6330 7.6330 8.9171 8.9171 8.9343 8.9343 9.5388 9.5388 9.5715 9.5715 9.8725 9.8725 9.8871 9.8871 11.3677 11.3677 11.4501 11.4501 11.7039 11.7039 11.7327 11.7327 k = 0.5000-0.0000-0.0000 ( 3474 PWs) bands (ev): -4.4104 -4.4104 -4.4103 -4.4103 -1.9248 -1.9248 -1.9248 -1.9248 4.1206 4.1206 4.1207 4.1207 5.2715 5.2715 5.2715 5.2715 5.4387 5.4387 5.4388 5.4388 6.3283 6.3283 6.3284 6.3284 7.5920 7.5920 7.5921 7.5921 8.9262 8.9262 8.9264 8.9264 9.5558 9.5558 9.5562 9.5562 9.8779 9.8779 9.8783 9.8783 11.4074 11.4074 11.4077 11.4077 11.7174 11.7174 11.7177 11.7177 k = 0.5000-0.0000-0.0000 ( 3474 PWs) bands (ev): -4.4104 -4.4104 -4.4103 -4.4103 -1.9248 -1.9248 -1.9248 -1.9248 4.1206 4.1206 4.1207 4.1207 5.2715 5.2715 5.2715 5.2715 5.4387 5.4387 5.4388 5.4388 6.3283 6.3283 6.3284 6.3284 7.5920 7.5920 7.5921 7.5921 8.9262 8.9262 8.9264 8.9264 9.5558 9.5558 9.5562 9.5562 9.8779 9.8779 9.8783 9.8783 11.4074 11.4074 11.4077 11.4077 11.7174 11.7174 11.7177 11.7177 k = 0.5000 0.0113-0.0000 ( 3478 PWs) bands (ev): -4.4097 -4.4097 -4.4096 -4.4096 -1.9261 -1.9261 -1.9257 -1.9257 4.1198 4.1198 4.1227 4.1227 5.2394 5.2394 5.2551 5.2551 5.4595 5.4595 5.4717 5.4717 6.3249 6.3249 6.3259 6.3259 7.5918 7.5918 7.5921 7.5921 8.9220 8.9220 8.9271 8.9271 9.5555 9.5555 9.5569 9.5569 9.8774 9.8774 9.8792 9.8792 11.4047 11.4047 11.4069 11.4069 11.7154 11.7154 11.7189 11.7189 k = 0.5000 0.0226-0.0000 ( 3482 PWs) bands (ev): -4.4076 -4.4076 -4.4076 -4.4076 -1.9296 -1.9296 -1.9289 -1.9289 4.1201 4.1201 4.1259 4.1259 5.1860 5.1860 5.2081 5.2081 5.5161 5.5161 5.5312 5.5312 6.3156 6.3156 6.3176 6.3176 7.5913 7.5913 7.5918 7.5918 8.9144 8.9144 8.9245 8.9245 9.5555 9.5555 9.5582 9.5582 9.8772 9.8772 9.8805 9.8805 11.3985 11.3985 11.4029 11.4029 11.7126 11.7126 11.7193 11.7193 k = 0.5000 0.0339-0.0000 ( 3486 PWs) bands (ev): -4.4042 -4.4042 -4.4042 -4.4042 -1.9353 -1.9353 -1.9343 -1.9343 4.1215 4.1215 4.1302 4.1302 5.1286 5.1286 5.1539 5.1539 5.5849 5.5849 5.5998 5.5998 6.3009 6.3009 6.3038 6.3038 7.5904 7.5904 7.5911 7.5911 8.9040 8.9040 8.9189 8.9189 9.5558 9.5558 9.5598 9.5598 9.8772 9.8772 9.8821 9.8821 11.3894 11.3894 11.3958 11.3958 11.7096 11.7096 11.7188 11.7188 k = 0.5000 0.0452-0.0000 ( 3486 PWs) bands (ev): -4.3995 -4.3995 -4.3994 -4.3994 -1.9431 -1.9431 -1.9418 -1.9418 4.1240 4.1240 4.1355 4.1355 5.0723 5.0723 5.0998 5.0998 5.6584 5.6584 5.6723 5.6723 6.2812 6.2812 6.2847 6.2847 7.5885 7.5885 7.5894 7.5894 8.8912 8.8912 8.9109 8.9109 9.5564 9.5564 9.5619 9.5619 9.8777 9.8777 9.8841 9.8841 11.3777 11.3777 11.3859 11.3859 11.7067 11.7067 11.7176 11.7176 k = 0.5000 0.0565-0.0000 ( 3482 PWs) bands (ev): -4.3935 -4.3935 -4.3934 -4.3934 -1.9531 -1.9531 -1.9515 -1.9515 4.1274 4.1274 4.1416 4.1416 5.0189 5.0189 5.0483 5.0483 5.7337 5.7337 5.7465 5.7465 6.2571 6.2571 6.2610 6.2610 7.5853 7.5853 7.5862 7.5862 8.8770 8.8770 8.9012 8.9012 9.5575 9.5575 9.5643 9.5643 9.8784 9.8784 9.8861 9.8861 11.3640 11.3640 11.3738 11.3738 11.7042 11.7042 11.7161 11.7161 k = 0.5000 0.0678-0.0000 ( 3482 PWs) bands (ev): -4.3861 -4.3861 -4.3860 -4.3860 -1.9651 -1.9651 -1.9632 -1.9632 4.1316 4.1316 4.1485 4.1485 4.9694 4.9694 5.0004 5.0004 5.8087 5.8087 5.8208 5.8208 6.2297 6.2297 6.2335 6.2335 7.5800 7.5800 7.5809 7.5809 8.8622 8.8622 8.8906 8.8906 9.5588 9.5588 9.5670 9.5670 9.8794 9.8794 9.8884 9.8884 11.3489 11.3489 11.3600 11.3600 11.7024 11.7024 11.7146 11.7146 k = 0.5000 0.0791-0.0000 ( 3486 PWs) bands (ev): -4.3775 -4.3775 -4.3774 -4.3774 -1.9791 -1.9791 -1.9769 -1.9769 4.1365 4.1365 4.1558 4.1558 4.9245 4.9245 4.9568 4.9568 5.8811 5.8811 5.8932 5.8932 6.2014 6.2014 6.2040 6.2040 7.5720 7.5720 7.5726 7.5726 8.8480 8.8480 8.8802 8.8802 9.5604 9.5604 9.5700 9.5700 9.8806 9.8806 9.8906 9.8906 11.3331 11.3331 11.3452 11.3452 11.7012 11.7012 11.7131 11.7131 k = 0.5000 0.0904-0.0000 ( 3490 PWs) bands (ev): -4.3676 -4.3676 -4.3675 -4.3675 -1.9951 -1.9951 -1.9925 -1.9925 4.1418 4.1418 4.1634 4.1634 4.8846 4.8846 4.9180 4.9180 5.9453 5.9453 5.9595 5.9595 6.1766 6.1766 6.1772 6.1772 7.5606 7.5606 7.5607 7.5607 8.8355 8.8355 8.8712 8.8712 9.5623 9.5623 9.5733 9.5733 9.8819 9.8819 9.8929 9.8929 11.3170 11.3170 11.3298 11.3298 11.7008 11.7008 11.7120 11.7120 k = 0.5000 0.1018-0.0000 ( 3490 PWs) bands (ev): -4.3566 -4.3566 -4.3565 -4.3565 -2.0128 -2.0128 -2.0100 -2.0100 4.1475 4.1475 4.1711 4.1711 4.8501 4.8501 4.8843 4.8843 5.9876 5.9876 6.0069 6.0069 6.1639 6.1639 6.1709 6.1709 7.5443 7.5443 7.5451 7.5451 8.8259 8.8259 8.8645 8.8645 9.5644 9.5644 9.5768 9.5768 9.8834 9.8834 9.8952 9.8952 11.3014 11.3014 11.3145 11.3145 11.7012 11.7012 11.7112 11.7112 k = 0.5000 0.1131-0.0000 ( 3490 PWs) bands (ev): -4.3445 -4.3445 -4.3443 -4.3443 -2.0323 -2.0323 -2.0292 -2.0292 4.1532 4.1532 4.1785 4.1785 4.8214 4.8214 4.8560 4.8560 5.9905 5.9905 6.0130 6.0130 6.1884 6.1884 6.1998 6.1998 7.5228 7.5228 7.5251 7.5251 8.8202 8.8202 8.8612 8.8612 9.5668 9.5668 9.5805 9.5805 9.8849 9.8849 9.8975 9.8975 11.2866 11.2866 11.2997 11.2997 11.7025 11.7025 11.7111 11.7111 k = 0.5000 0.1244-0.0000 ( 3482 PWs) bands (ev): -4.3312 -4.3312 -4.3310 -4.3310 -2.0533 -2.0533 -2.0499 -2.0499 4.1590 4.1590 4.1854 4.1854 4.7987 4.7987 4.8332 4.8332 5.9631 5.9631 5.9853 5.9853 6.2424 6.2424 6.2547 6.2547 7.4958 7.4958 7.5000 7.5000 8.8193 8.8193 8.8622 8.8622 9.5694 9.5694 9.5845 9.5845 9.8865 9.8865 9.8998 9.8998 11.2731 11.2731 11.2860 11.2860 11.7047 11.7047 11.7115 11.7115 k = 0.5000 0.1357-0.0000 ( 3480 PWs) bands (ev): -4.3170 -4.3170 -4.3168 -4.3168 -2.0758 -2.0758 -2.0722 -2.0722 4.1648 4.1648 4.1917 4.1917 4.7821 4.7821 4.8159 4.8159 5.9226 5.9226 5.9444 5.9444 6.3053 6.3053 6.3186 6.3186 7.4631 7.4631 7.4698 7.4698 8.8238 8.8238 8.8681 8.8681 9.5721 9.5721 9.5885 9.5885 9.8881 9.8881 9.9020 9.9020 11.2614 11.2614 11.2736 11.2736 11.7077 11.7077 11.7126 11.7126 k = 0.5000 0.1470-0.0000 ( 3476 PWs) bands (ev): -4.3018 -4.3018 -4.3016 -4.3016 -2.0996 -2.0996 -2.0957 -2.0957 4.1704 4.1704 4.1974 4.1974 4.7714 4.7714 4.8040 4.8040 5.8763 5.8763 5.8985 5.8985 6.3691 6.3691 6.3838 6.3838 7.4246 7.4246 7.4344 7.4344 8.8340 8.8340 8.8792 8.8792 9.5750 9.5750 9.5926 9.5926 9.8897 9.8897 9.9041 9.9041 11.2517 11.2517 11.2632 11.2632 11.7118 11.7118 11.7142 11.7142 k = 0.5000 0.1583-0.0000 ( 3484 PWs) bands (ev): -4.2858 -4.2858 -4.2855 -4.2855 -2.1246 -2.1246 -2.1204 -2.1204 4.1760 4.1760 4.2025 4.2025 4.7665 4.7665 4.7972 4.7972 5.8272 5.8272 5.8502 5.8502 6.4310 6.4310 6.4474 6.4474 7.3807 7.3807 7.3942 7.3942 8.8499 8.8499 8.8958 8.8958 9.5779 9.5779 9.5967 9.5967 9.8912 9.8912 9.9061 9.9061 11.2442 11.2442 11.2548 11.2548 11.7166 11.7166 11.7168 11.7168 k = 0.5000 0.1696-0.0000 ( 3488 PWs) bands (ev): -4.2691 -4.2691 -4.2688 -4.2688 -2.1505 -2.1505 -2.1461 -2.1461 4.1818 4.1818 4.2072 4.2072 4.7668 4.7668 4.7952 4.7952 5.7770 5.7770 5.8012 5.8012 6.4895 6.4895 6.5079 6.5079 7.3321 7.3321 7.3497 7.3497 8.8714 8.8714 8.9176 8.9176 9.5810 9.5810 9.6010 9.6010 9.8927 9.8927 9.9080 9.9080 11.2394 11.2394 11.2489 11.2489 11.7197 11.7197 11.7228 11.7228 k = 0.5000 0.1809-0.0000 ( 3484 PWs) bands (ev): -4.2517 -4.2517 -4.2513 -4.2513 -2.1772 -2.1772 -2.1725 -2.1725 4.1879 4.1879 4.2118 4.2118 4.7716 4.7716 4.7972 4.7972 5.7266 5.7266 5.7525 5.7525 6.5438 6.5438 6.5640 6.5640 7.2795 7.2795 7.3017 7.3017 8.8979 8.8979 8.9444 8.9444 9.5841 9.5841 9.6053 9.6053 9.8942 9.8942 9.9099 9.9099 11.2374 11.2374 11.2457 11.2457 11.7235 11.7235 11.7300 11.7300 k = 0.5000 0.1922-0.0000 ( 3486 PWs) bands (ev): -4.2338 -4.2338 -4.2334 -4.2334 -2.2044 -2.2044 -2.1995 -2.1995 4.1947 4.1947 4.2167 4.2167 4.7799 4.7799 4.8025 4.8025 5.6772 5.6772 5.7051 5.7051 6.5927 6.5927 6.6148 6.6148 7.2242 7.2242 7.2514 7.2514 8.9287 8.9287 8.9755 8.9755 9.5873 9.5873 9.6095 9.6095 9.8957 9.8957 9.9117 9.9117 11.2382 11.2382 11.2453 11.2453 11.7282 11.7282 11.7384 11.7384 k = 0.5000 0.2035-0.0000 ( 3478 PWs) bands (ev): -4.2156 -4.2156 -4.2151 -4.2151 -2.2320 -2.2320 -2.2269 -2.2269 4.2024 4.2024 4.2224 4.2224 4.7906 4.7906 4.8101 4.8101 5.6297 5.6297 5.6601 5.6601 6.6351 6.6351 6.6590 6.6590 7.1678 7.1678 7.2004 7.2004 8.9630 8.9630 9.0103 9.0103 9.5905 9.5905 9.6138 9.6138 9.8972 9.8972 9.9134 9.9134 11.2419 11.2419 11.2479 11.2479 11.7337 11.7337 11.7482 11.7482 k = 0.5000 0.2148-0.0000 ( 3482 PWs) bands (ev): -4.1971 -4.1971 -4.1965 -4.1965 -2.2597 -2.2597 -2.2545 -2.2545 4.2114 4.2114 4.2291 4.2291 4.8023 4.8023 4.8188 4.8188 5.5852 5.5852 5.6187 5.6187 6.6688 6.6688 6.6948 6.6948 7.1129 7.1129 7.1509 7.1509 8.9999 8.9999 9.0478 9.0478 9.5937 9.5937 9.6180 9.6180 9.8985 9.8985 9.9151 9.9151 11.2485 11.2485 11.2534 11.2534 11.7402 11.7402 11.7596 11.7596 k = 0.5000 0.2261-0.0000 ( 3482 PWs) bands (ev): -4.1785 -4.1785 -4.1779 -4.1779 -2.2874 -2.2874 -2.2819 -2.2819 4.2218 4.2218 4.2372 4.2372 4.8135 4.8135 4.8272 4.8272 5.5449 5.5449 5.5823 5.5823 6.6908 6.6908 6.7194 6.7194 7.0632 7.0632 7.1063 7.1063 9.0384 9.0384 9.0871 9.0871 9.5970 9.5970 9.6222 9.6222 9.8999 9.8999 9.9167 9.9167 11.2577 11.2577 11.2618 11.2618 11.7478 11.7478 11.7727 11.7727 k = 0.5000 0.2374-0.0000 ( 3484 PWs) bands (ev): -4.1600 -4.1600 -4.1593 -4.1593 -2.3146 -2.3146 -2.3089 -2.3089 4.2340 4.2340 4.2471 4.2471 4.8226 4.8226 4.8336 4.8336 5.5103 5.5103 5.5523 5.5523 6.6964 6.6964 6.7291 6.7291 7.0240 7.0240 7.0711 7.0711 9.0775 9.0775 9.1273 9.1273 9.6003 9.6003 9.6263 9.6263 9.9012 9.9012 9.9182 9.9182 11.2693 11.2693 11.2730 11.2730 11.7565 11.7565 11.7877 11.7877 k = 0.5000 0.2487-0.0000 ( 3488 PWs) bands (ev): -4.1418 -4.1418 -4.1411 -4.1411 -2.3412 -2.3412 -2.3353 -2.3353 4.2481 4.2481 4.2589 4.2589 4.8276 4.8276 4.8363 4.8363 5.4828 5.4828 5.5304 5.5304 6.6812 6.6812 6.7206 6.7206 7.0004 7.0004 7.0493 7.0493 9.1165 9.1165 9.1674 9.1674 9.6036 9.6036 9.6304 9.6304 9.9025 9.9025 9.9197 9.9197 11.2828 11.2828 11.2865 11.2865 11.7664 11.7664 11.8048 11.8048 k = 0.5000 0.2600-0.0000 ( 3484 PWs) bands (ev): -4.1241 -4.1241 -4.1233 -4.1233 -2.3668 -2.3668 -2.3608 -2.3608 4.2643 4.2643 4.2727 4.2727 4.8272 4.8272 4.8339 4.8339 5.4636 5.4636 5.5180 5.5180 6.6455 6.6455 6.6940 6.6940 6.9927 6.9927 7.0415 7.0415 9.1543 9.1543 9.2066 9.2066 9.6068 9.6068 9.6344 9.6344 9.9038 9.9038 9.9212 9.9212 11.2978 11.2978 11.3021 11.3021 11.7777 11.7777 11.8241 11.8241 k = 0.5000 0.2713-0.0000 ( 3480 PWs) bands (ev): -4.1070 -4.1070 -4.1062 -4.1062 -2.3913 -2.3913 -2.3851 -2.3851 4.2826 4.2826 4.2888 4.2888 4.8204 4.8204 4.8251 4.8251 5.4537 5.4537 5.5158 5.5158 6.5948 6.5948 6.6537 6.6537 6.9962 6.9962 7.0443 7.0443 9.1902 9.1902 9.2439 9.2439 9.6101 9.6101 9.6382 9.6382 9.9050 9.9050 9.9226 9.9226 11.3136 11.3136 11.3190 11.3190 11.7905 11.7905 11.8456 11.8456 k = 0.5000 0.2826-0.0000 ( 3480 PWs) bands (ev): -4.0910 -4.0910 -4.0901 -4.0901 -2.4142 -2.4142 -2.4079 -2.4079 4.3032 4.3032 4.3070 4.3070 4.8068 4.8068 4.8095 4.8095 5.4530 5.4530 5.5240 5.5240 6.5352 6.5352 6.6052 6.6052 7.0055 7.0055 7.0530 7.0530 9.2235 9.2235 9.2787 9.2787 9.6133 9.6133 9.6419 9.6419 9.9062 9.9062 9.9238 9.9238 11.3296 11.3296 11.3365 11.3365 11.8046 11.8046 11.8690 11.8690 k = 0.5000 0.2940-0.0000 ( 3480 PWs) bands (ev): -4.0760 -4.0760 -4.0751 -4.0751 -2.4354 -2.4354 -2.4289 -2.4289 4.3260 4.3260 4.3273 4.3273 4.7870 4.7870 4.7876 4.7876 5.4605 5.4605 5.5417 5.5417 6.4711 6.4711 6.5531 6.5531 7.0170 7.0170 7.0641 7.0641 9.2537 9.2537 9.3102 9.3102 9.6165 9.6165 9.6454 9.6454 9.9073 9.9073 9.9250 9.9250 11.3450 11.3450 11.3539 11.3539 11.8198 11.8198 11.8941 11.8941 k = 0.5000 0.3053-0.0000 ( 3492 PWs) bands (ev): -4.0625 -4.0625 -4.0615 -4.0615 -2.4544 -2.4544 -2.4478 -2.4478 4.3497 4.3497 4.3510 4.3510 4.7603 4.7603 4.7621 4.7621 5.4747 5.4747 5.5676 5.5676 6.4054 6.4054 6.5007 6.5007 7.0286 7.0286 7.0756 7.0756 9.2804 9.2804 9.3380 9.3380 9.6194 9.6194 9.6486 9.6486 9.9082 9.9082 9.9260 9.9260 11.3593 11.3593 11.3705 11.3705 11.8357 11.8357 11.9199 11.9199 k = 0.5000 0.3166-0.0000 ( 3482 PWs) bands (ev): -4.0506 -4.0506 -4.0495 -4.0495 -2.4711 -2.4711 -2.4644 -2.4644 4.3737 4.3737 4.3781 4.3781 4.7289 4.7289 4.7336 4.7336 5.4932 5.4932 5.5998 5.5998 6.3404 6.3404 6.4504 6.4504 7.0393 7.0393 7.0863 7.0863 9.3032 9.3032 9.3618 9.3618 9.6224 9.6224 9.6516 9.6516 9.9091 9.9091 9.9270 9.9270 11.3720 11.3720 11.3856 11.3856 11.8518 11.8518 11.9456 11.9456 k = 0.5000 0.3279-0.0000 ( 3480 PWs) bands (ev): -4.0405 -4.0405 -4.0394 -4.0394 -2.4851 -2.4851 -2.4783 -2.4783 4.3991 4.3991 4.4072 4.4072 4.6947 4.6947 4.7031 4.7031 5.5138 5.5138 5.6359 5.6359 6.2780 6.2780 6.4045 6.4045 7.0484 7.0484 7.0954 7.0954 9.3220 9.3220 9.3814 9.3814 9.6249 9.6249 9.6542 9.6542 9.9099 9.9099 9.9278 9.9278 11.3828 11.3828 11.3985 11.3985 11.8671 11.8671 11.9697 11.9697 k = 0.5000 0.3392-0.0000 ( 3484 PWs) bands (ev): -4.0324 -4.0324 -4.0313 -4.0313 -2.4963 -2.4963 -2.4894 -2.4894 4.4250 4.4250 4.4380 4.4380 4.6590 4.6590 4.6723 4.6723 5.5338 5.5338 5.6731 5.6731 6.2210 6.2210 6.3653 6.3653 7.0557 7.0557 7.1028 7.1028 9.3367 9.3367 9.3966 9.3966 9.6271 9.6271 9.6562 9.6562 9.9105 9.9105 9.9284 9.9284 11.3913 11.3913 11.4089 11.4089 11.8806 11.8806 11.9906 11.9906 k = 0.5000 0.3505-0.0000 ( 3492 PWs) bands (ev): -4.0266 -4.0266 -4.0254 -4.0254 -2.5044 -2.5044 -2.4975 -2.4975 4.4497 4.4497 4.4700 4.4700 4.6231 4.6231 4.6435 4.6435 5.5507 5.5507 5.7072 5.7072 6.1730 6.1730 6.3350 6.3350 7.0610 7.0610 7.1081 7.1081 9.3471 9.3471 9.4074 9.4074 9.6287 9.6287 9.6577 9.6577 9.9110 9.9110 9.9289 9.9289 11.3975 11.3975 11.4165 11.4165 11.8912 11.8912 12.0070 12.0070 k = 0.5000 0.3618-0.0000 ( 3488 PWs) bands (ev): -4.0230 -4.0230 -4.0218 -4.0218 -2.5093 -2.5093 -2.5024 -2.5024 4.4696 4.4696 4.5014 4.5014 4.5891 4.5891 4.6210 4.6210 5.5619 5.5619 5.7324 5.7324 6.1395 6.1395 6.3157 6.3157 7.0642 7.0642 7.1114 7.1114 9.3534 9.3534 9.4139 9.4139 9.6298 9.6298 9.6587 9.6587 9.9112 9.9112 9.9292 9.9292 11.4013 11.4013 11.4212 11.4212 11.8980 11.8980 12.0174 12.0174 k = 0.5000 0.3731-0.0000 ( 3488 PWs) bands (ev): -4.0218 -4.0218 -4.0206 -4.0206 -2.5110 -2.5110 -2.5041 -2.5041 4.4779 4.4779 4.5205 4.5205 4.5691 4.5691 4.6119 4.6119 5.5659 5.5659 5.7419 5.7419 6.1272 6.1272 6.3091 6.3091 7.0653 7.0653 7.1125 7.1125 9.3555 9.3555 9.4161 9.4161 9.6301 9.6301 9.6590 9.6590 9.9113 9.9113 9.9293 9.9293 11.4026 11.4026 11.4227 11.4227 11.9004 11.9004 12.0210 12.0210 k = 0.5000 0.3731-0.0000 ( 3488 PWs) bands (ev): -4.0218 -4.0218 -4.0206 -4.0206 -2.5110 -2.5110 -2.5041 -2.5041 4.4779 4.4779 4.5205 4.5205 4.5691 4.5691 4.6119 4.6119 5.5659 5.5659 5.7419 5.7419 6.1272 6.1272 6.3091 6.3091 7.0653 7.0653 7.1125 7.1125 9.3555 9.3555 9.4161 9.4161 9.6301 9.6301 9.6590 9.6590 9.9113 9.9113 9.9293 9.9293 11.4026 11.4026 11.4227 11.4227 11.9004 11.9004 12.0210 12.0210 k = 0.4886 0.3731-0.0000 ( 3492 PWs) bands (ev): -4.0229 -4.0229 -4.0217 -4.0217 -2.5112 -2.5112 -2.5042 -2.5042 4.4568 4.4568 4.5434 4.5434 4.5494 4.5494 4.6333 4.6333 5.5611 5.5611 5.7373 5.7373 6.1342 6.1342 6.3153 6.3153 7.0677 7.0677 7.1145 7.1145 9.3555 9.3555 9.4160 9.4160 9.6298 9.6298 9.6585 9.6585 9.9112 9.9112 9.9291 9.9291 11.4011 11.4011 11.4213 11.4213 11.9018 11.9018 12.0223 12.0223 k = 0.4773 0.3731-0.0000 ( 3496 PWs) bands (ev): -4.0261 -4.0261 -4.0249 -4.0249 -2.5116 -2.5116 -2.5047 -2.5047 4.4244 4.4244 4.5185 4.5185 4.5814 4.5814 4.6695 4.6695 5.5476 5.5476 5.7243 5.7243 6.1542 6.1542 6.3333 6.3333 7.0750 7.0750 7.1205 7.1205 9.3555 9.3555 9.4157 9.4157 9.6287 9.6287 9.6570 9.6570 9.9111 9.9111 9.9289 9.9289 11.3969 11.3969 11.4170 11.4170 11.9059 11.9059 12.0261 12.0261 k = 0.4659 0.3731-0.0000 ( 3494 PWs) bands (ev): -4.0316 -4.0316 -4.0304 -4.0304 -2.5125 -2.5125 -2.5055 -2.5055 4.3917 4.3917 4.4869 4.4869 4.6232 4.6232 4.7097 4.7097 5.5279 5.5279 5.7051 5.7051 6.1849 6.1849 6.3607 6.3607 7.0873 7.0873 7.1306 7.1306 9.3555 9.3555 9.4153 9.4153 9.6271 9.6271 9.6545 9.6545 9.9109 9.9109 9.9287 9.9287 11.3900 11.3900 11.4101 11.4101 11.9125 11.9125 12.0323 12.0323 k = 0.4545 0.3731-0.0000 ( 3490 PWs) bands (ev): -4.0391 -4.0391 -4.0379 -4.0379 -2.5136 -2.5136 -2.5067 -2.5067 4.3597 4.3597 4.4555 4.4555 4.6678 4.6678 4.7526 4.7526 5.5047 5.5047 5.6822 5.6822 6.2235 6.2235 6.3951 6.3951 7.1046 7.1046 7.1448 7.1448 9.3555 9.3555 9.4147 9.4147 9.6247 9.6247 9.6511 9.6511 9.9108 9.9108 9.9286 9.9286 11.3807 11.3807 11.4006 11.4006 11.9215 11.9215 12.0406 12.0406 k = 0.4432 0.3731-0.0000 ( 3492 PWs) bands (ev): -4.0486 -4.0486 -4.0474 -4.0474 -2.5151 -2.5151 -2.5083 -2.5083 4.3282 4.3282 4.4243 4.4243 4.7149 4.7149 4.7980 4.7980 5.4809 5.4809 5.6582 5.6582 6.2675 6.2675 6.4339 6.4339 7.1271 7.1271 7.1632 7.1632 9.3555 9.3555 9.4138 9.4138 9.6216 9.6216 9.6466 9.6466 9.9110 9.9110 9.9287 9.9287 11.3693 11.3693 11.3889 11.3889 11.9324 11.9324 12.0508 12.0508 k = 0.4318 0.3731-0.0000 ( 3496 PWs) bands (ev): -4.0601 -4.0601 -4.0589 -4.0589 -2.5171 -2.5171 -2.5102 -2.5102 4.2970 4.2970 4.3928 4.3928 4.7642 4.7642 4.8457 4.8457 5.4587 5.4587 5.6351 5.6351 6.3147 6.3147 6.4751 6.4751 7.1549 7.1549 7.1858 7.1858 9.3554 9.3554 9.4127 9.4127 9.6178 9.6178 9.6411 9.6411 9.9116 9.9116 9.9292 9.9292 11.3559 11.3559 11.3752 11.3752 11.9449 11.9449 12.0626 12.0626 k = 0.4205 0.3731-0.0000 ( 3488 PWs) bands (ev): -4.0733 -4.0733 -4.0722 -4.0722 -2.5194 -2.5194 -2.5126 -2.5126 4.2658 4.2658 4.3606 4.3606 4.8158 4.8158 4.8955 4.8955 5.4400 5.4400 5.6146 5.6146 6.3636 6.3636 6.5171 6.5171 7.1879 7.1879 7.2127 7.2127 9.3552 9.3552 9.4112 9.4112 9.6134 9.6134 9.6348 9.6348 9.9129 9.9129 9.9303 9.9303 11.3410 11.3410 11.3597 11.3597 11.9588 11.9588 12.0757 12.0757 k = 0.4091 0.3731-0.0000 ( 3484 PWs) bands (ev): -4.0883 -4.0883 -4.0873 -4.0873 -2.5221 -2.5221 -2.5153 -2.5153 4.2343 4.2343 4.3274 4.3274 4.8693 4.8693 4.9472 4.9472 5.4263 5.4263 5.5982 5.5982 6.4130 6.4130 6.5586 6.5586 7.2262 7.2262 7.2439 7.2439 9.3549 9.3549 9.4092 9.4092 9.6084 9.6084 9.6276 9.6276 9.9150 9.9150 9.9322 9.9322 11.3246 11.3246 11.3428 11.3428 11.9736 11.9736 12.0899 12.0899 k = 0.3977 0.3731-0.0000 ( 3478 PWs) bands (ev): -4.1049 -4.1049 -4.1039 -4.1039 -2.5253 -2.5253 -2.5186 -2.5186 4.2022 4.2022 4.2929 4.2929 4.9246 4.9246 5.0003 5.0003 5.4190 5.4190 5.5869 5.5869 6.4618 6.4618 6.5991 6.5991 7.2693 7.2693 7.2793 7.2793 9.3545 9.3545 9.4067 9.4067 9.6031 9.6031 9.6198 9.6198 9.9180 9.9180 9.9350 9.9350 11.3071 11.3071 11.3245 11.3245 11.9891 11.9891 12.1048 12.1048 k = 0.3864 0.3731-0.0000 ( 3478 PWs) bands (ev): -4.1229 -4.1229 -4.1219 -4.1219 -2.5289 -2.5289 -2.5223 -2.5223 4.1692 4.1692 4.2569 4.2569 4.9813 4.9813 5.0542 5.0542 5.4192 5.4192 5.5817 5.5817 6.5094 6.5094 6.6379 6.6379 7.3169 7.3169 7.3188 7.3188 9.3539 9.3539 9.4036 9.4036 9.5976 9.5976 9.6116 9.6116 9.9221 9.9221 9.9387 9.9387 11.2886 11.2886 11.3053 11.3053 12.0051 12.0051 12.1202 12.1202 k = 0.3750 0.3731-0.0000 ( 3474 PWs) bands (ev): -4.1423 -4.1423 -4.1413 -4.1413 -2.5331 -2.5331 -2.5265 -2.5265 4.1353 4.1353 4.2192 4.2192 5.0391 5.0391 5.1080 5.1080 5.4282 5.4282 5.5835 5.5835 6.5553 6.5553 6.6749 6.6749 7.3619 7.3619 7.3683 7.3683 9.3530 9.3530 9.3997 9.3997 9.5921 9.5921 9.6033 9.6033 9.9275 9.9275 9.9435 9.9435 11.2694 11.2694 11.2853 11.2853 12.0214 12.0214 12.1360 12.1360 k = 0.3636 0.3731-0.0000 ( 3474 PWs) bands (ev): -4.1627 -4.1627 -4.1618 -4.1618 -2.5377 -2.5377 -2.5312 -2.5312 4.1002 4.1002 4.1799 4.1799 5.0974 5.0974 5.1607 5.1607 5.4470 5.4470 5.5929 5.5929 6.5993 6.5993 6.7101 6.7101 7.4084 7.4084 7.4227 7.4227 9.3519 9.3519 9.3951 9.3951 9.5870 9.5870 9.5952 9.5952 9.9340 9.9340 9.9495 9.9495 11.2496 11.2496 11.2646 11.2646 12.0378 12.0378 12.1519 12.1519 k = 0.3523 0.3731-0.0000 ( 3474 PWs) bands (ev): -4.1842 -4.1842 -4.1833 -4.1833 -2.5428 -2.5428 -2.5364 -2.5364 4.0640 4.0640 4.1392 4.1392 5.1555 5.1555 5.2113 5.2113 5.4766 5.4766 5.6106 5.6106 6.6412 6.6412 6.7436 6.7436 7.4578 7.4578 7.4795 7.4795 9.3506 9.3506 9.3898 9.3898 9.5824 9.5824 9.5875 9.5875 9.9418 9.9418 9.9566 9.9566 11.2294 11.2294 11.2436 11.2436 12.0540 12.0540 12.1679 12.1679 k = 0.3409 0.3731-0.0000 ( 3478 PWs) bands (ev): -4.2065 -4.2065 -4.2057 -4.2057 -2.5483 -2.5483 -2.5420 -2.5420 4.0267 4.0267 4.0971 4.0971 5.2131 5.2131 5.2591 5.2591 5.5173 5.5173 5.6369 5.6369 6.6810 6.6810 6.7756 6.7756 7.5094 7.5094 7.5378 7.5378 9.3491 9.3491 9.3839 9.3839 9.5785 9.5785 9.5806 9.5806 9.9508 9.9508 9.9648 9.9648 11.2091 11.2091 11.2223 11.2223 12.0701 12.0701 12.1839 12.1839 k = 0.3295 0.3731-0.0000 ( 3474 PWs) bands (ev): -4.2296 -4.2296 -4.2288 -4.2288 -2.5544 -2.5544 -2.5482 -2.5482 3.9885 3.9885 4.0540 4.0540 5.2694 5.2694 5.3043 5.3043 5.5685 5.5685 5.6722 5.6722 6.7187 6.7187 6.8062 6.8062 7.5627 7.5627 7.5967 7.5967 9.3476 9.3476 9.3775 9.3775 9.5747 9.5747 9.5756 9.5756 9.9611 9.9611 9.9742 9.9742 11.1887 11.1887 11.2012 11.2012 12.0860 12.0860 12.1998 12.1998 k = 0.3182 0.3731-0.0000 ( 3468 PWs) bands (ev): -4.2532 -4.2532 -4.2524 -4.2524 -2.5609 -2.5609 -2.5548 -2.5548 3.9495 3.9495 4.0102 4.0102 5.3242 5.3242 5.3479 5.3479 5.6287 5.6287 5.7164 5.7164 6.7544 6.7544 6.8356 6.8356 7.6170 7.6170 7.6553 7.6553 9.3462 9.3462 9.3710 9.3710 9.5701 9.5701 9.5736 9.5736 9.9726 9.9726 9.9846 9.9846 11.1687 11.1687 11.1803 11.1803 12.1016 12.1016 12.2155 12.2155 k = 0.3068 0.3731-0.0000 ( 3464 PWs) bands (ev): -4.2772 -4.2772 -4.2764 -4.2764 -2.5678 -2.5678 -2.5618 -2.5618 3.9099 3.9099 3.9659 3.9659 5.3775 5.3775 5.3911 5.3911 5.6962 5.6962 5.7690 5.7690 6.7883 6.7883 6.8640 6.8640 7.6714 7.6714 7.7129 7.7129 9.3451 9.3451 9.3646 9.3646 9.5669 9.5669 9.5725 9.5725 9.9851 9.9851 9.9962 9.9962 11.1492 11.1492 11.1600 11.1600 12.1168 12.1168 12.2311 12.2311 k = 0.2955 0.3731-0.0000 ( 3468 PWs) bands (ev): -4.3015 -4.3015 -4.3008 -4.3008 -2.5751 -2.5751 -2.5692 -2.5692 3.8699 3.8699 3.9214 3.9214 5.4295 5.4295 5.4348 5.4348 5.7694 5.7694 5.8292 5.8292 6.8203 6.8203 6.8914 6.8914 7.7253 7.7253 7.7686 7.7686 9.3447 9.3447 9.3587 9.3587 9.5650 9.5650 9.5722 9.5722 9.9986 9.9986 10.0086 10.0086 11.1304 11.1304 11.1406 11.1406 12.1317 12.1317 12.2465 12.2465 k = 0.2841 0.3731-0.0000 ( 3470 PWs) bands (ev): -4.3259 -4.3259 -4.3252 -4.3252 -2.5827 -2.5827 -2.5770 -2.5770 3.8298 3.8298 3.8770 3.8770 5.4797 5.4797 5.4806 5.4806 5.8471 5.8471 5.8961 5.8961 6.8508 6.8508 6.9181 6.9181 7.7780 7.7780 7.8217 7.8217 9.3454 9.3454 9.3538 9.3538 9.5644 9.5644 9.5727 9.5727 10.0129 10.0129 10.0220 10.0220 11.1129 11.1129 11.1224 11.1224 12.1462 12.1462 12.2617 12.2617 k = 0.2727 0.3731-0.0000 ( 3472 PWs) bands (ev): -4.3503 -4.3503 -4.3497 -4.3497 -2.5906 -2.5906 -2.5851 -2.5851 3.7898 3.7898 3.8329 3.8329 5.5261 5.5261 5.5314 5.5314 5.9283 5.9283 5.9684 5.9684 6.8798 6.8798 6.9440 6.9440 7.8287 7.8287 7.8717 7.8717 9.3475 9.3475 9.3503 9.3503 9.5650 9.5650 9.5738 9.5738 10.0280 10.0280 10.0362 10.0362 11.0970 11.0970 11.1057 11.1057 12.1604 12.1604 12.2767 12.2767 k = 0.2614 0.3731-0.0000 ( 3464 PWs) bands (ev): -4.3747 -4.3747 -4.3741 -4.3741 -2.5988 -2.5988 -2.5935 -2.5935 3.7501 3.7501 3.7894 3.7894 5.5741 5.5741 5.5822 5.5822 6.0121 6.0121 6.0451 6.0451 6.9074 6.9074 6.9694 6.9694 7.8770 7.8770 7.9178 7.9178 9.3486 9.3486 9.3512 9.3512 9.5667 9.5667 9.5753 9.5753 10.0438 10.0438 10.0512 10.0512 11.0831 11.0831 11.0911 11.0911 12.1741 12.1741 12.2916 12.2916 k = 0.2500 0.3731-0.0000 ( 3472 PWs) bands (ev): -4.3988 -4.3988 -4.3982 -4.3982 -2.6072 -2.6072 -2.6020 -2.6020 3.7109 3.7109 3.7468 3.7468 5.6236 5.6236 5.6333 5.6333 6.0980 6.0980 6.1251 6.1251 6.9337 6.9337 6.9941 6.9941 7.9222 7.9222 7.9598 7.9598 9.3489 9.3489 9.3569 9.3569 9.5692 9.5692 9.5771 9.5771 10.0600 10.0600 10.0666 10.0666 11.0717 11.0717 11.0789 11.0789 12.1874 12.1874 12.3063 12.3063 k = 0.2386 0.3731-0.0000 ( 3476 PWs) bands (ev): -4.4225 -4.4225 -4.4220 -4.4220 -2.6158 -2.6158 -2.6108 -2.6108 3.6724 3.6724 3.7050 3.7050 5.6745 5.6745 5.6848 5.6848 6.1853 6.1853 6.2074 6.2074 6.9588 6.9588 7.0184 7.0184 7.9638 7.9638 7.9973 7.9973 9.3515 9.3515 9.3647 9.3647 9.5722 9.5722 9.5789 9.5789 10.0766 10.0766 10.0824 10.0824 11.0635 11.0635 11.0697 11.0697 12.2003 12.2003 12.3208 12.3208 k = 0.2273 0.3731-0.0000 ( 3476 PWs) bands (ev): -4.4458 -4.4458 -4.4454 -4.4454 -2.6244 -2.6244 -2.6196 -2.6196 3.6348 3.6348 3.6644 3.6644 5.7265 5.7265 5.7369 5.7369 6.2734 6.2734 6.2910 6.2910 6.9829 6.9829 7.0424 7.0424 8.0018 8.0018 8.0303 8.0303 9.3565 9.3565 9.3744 9.3744 9.5757 9.5757 9.5805 9.5805 10.0933 10.0933 10.0984 10.0984 11.0592 11.0592 11.0640 11.0640 12.2127 12.2127 12.3350 12.3350 k = 0.2159 0.3731-0.0000 ( 3468 PWs) bands (ev): -4.4686 -4.4686 -4.4681 -4.4681 -2.6331 -2.6331 -2.6285 -2.6285 3.5982 3.5982 3.6252 3.6252 5.7794 5.7794 5.7894 5.7894 6.3614 6.3614 6.3749 6.3749 7.0062 7.0062 7.0662 7.0662 8.0359 8.0359 8.0588 8.0588 9.3638 9.3638 9.3860 9.3860 9.5792 9.5792 9.5818 9.5818 10.1100 10.1100 10.1143 10.1143 11.0593 11.0593 11.0623 11.0623 12.2245 12.2245 12.3489 12.3489 k = 0.2045 0.3731-0.0000 ( 3466 PWs) bands (ev): -4.4907 -4.4907 -4.4903 -4.4903 -2.6417 -2.6417 -2.6373 -2.6373 3.5629 3.5629 3.5873 3.5873 5.8329 5.8329 5.8423 5.8423 6.4486 6.4486 6.4580 6.4580 7.0289 7.0289 7.0902 7.0902 8.0662 8.0662 8.0831 8.0831 9.3733 9.3733 9.3991 9.3991 9.5824 9.5824 9.5826 9.5826 10.1263 10.1263 10.1297 10.1297 11.0644 11.0644 11.0652 11.0652 12.2356 12.2356 12.3624 12.3624 k = 0.1932 0.3731-0.0000 ( 3474 PWs) bands (ev): -4.5121 -4.5121 -4.5117 -4.5117 -2.6503 -2.6503 -2.6461 -2.6461 3.5288 3.5288 3.5509 3.5509 5.8869 5.8869 5.8954 5.8954 6.5339 6.5339 6.5392 6.5392 7.0514 7.0514 7.1147 7.1147 8.0929 8.0929 8.1039 8.1039 9.3846 9.3846 9.4131 9.4131 9.5825 9.5825 9.5853 9.5853 10.1420 10.1420 10.1444 10.1444 11.0731 11.0731 11.0753 11.0753 12.2459 12.2459 12.3753 12.3753 k = 0.1818 0.3731-0.0000 ( 3476 PWs) bands (ev): -4.5327 -4.5327 -4.5324 -4.5324 -2.6587 -2.6587 -2.6547 -2.6547 3.4962 3.4962 3.5162 3.5162 5.9410 5.9410 5.9485 5.9485 6.6161 6.6161 6.6169 6.6169 7.0744 7.0744 7.1403 7.1403 8.1167 8.1167 8.1217 8.1217 9.3972 9.3972 9.4276 9.4276 9.5817 9.5817 9.5876 9.5876 10.1571 10.1571 10.1580 10.1580 11.0866 11.0866 11.0924 11.0924 12.2552 12.2552 12.3875 12.3875 k = 0.1705 0.3731-0.0000 ( 3476 PWs) bands (ev): -4.5524 -4.5524 -4.5521 -4.5521 -2.6670 -2.6670 -2.6632 -2.6632 3.4652 3.4652 3.4832 3.4832 5.9951 5.9951 6.0015 6.0015 6.6896 6.6896 6.6934 6.6934 7.0986 7.0986 7.1675 7.1675 8.1375 8.1375 8.1382 8.1382 9.4105 9.4105 9.4419 9.4419 9.5801 9.5801 9.5893 9.5893 10.1704 10.1704 10.1711 10.1711 11.1059 11.1059 11.1163 11.1163 12.2633 12.2633 12.3987 12.3987 k = 0.1591 0.3731-0.0000 ( 3472 PWs) bands (ev): -4.5711 -4.5711 -4.5709 -4.5709 -2.6749 -2.6749 -2.6714 -2.6714 3.4358 3.4358 3.4520 3.4520 6.0487 6.0487 6.0541 6.0541 6.7557 6.7557 6.7640 6.7640 7.1251 7.1251 7.1970 7.1970 8.1522 8.1522 8.1581 8.1581 9.4237 9.4237 9.4550 9.4550 9.5778 9.5778 9.5903 9.5903 10.1814 10.1814 10.1841 10.1841 11.1314 11.1314 11.1469 11.1469 12.2699 12.2699 12.4087 12.4087 k = 0.1477 0.3731-0.0000 ( 3484 PWs) bands (ev): -4.5889 -4.5889 -4.5886 -4.5886 -2.6826 -2.6826 -2.6793 -2.6793 3.4082 3.4082 3.4227 3.4227 6.1017 6.1017 6.1060 6.1060 6.8135 6.8135 6.8256 6.8256 7.1551 7.1551 7.2291 7.2291 8.1670 8.1670 8.1774 8.1774 9.4356 9.4356 9.4661 9.4661 9.5751 9.5751 9.5911 9.5911 10.1910 10.1910 10.1958 10.1958 11.1629 11.1629 11.1842 11.1842 12.2747 12.2747 12.4170 12.4170 k = 0.1364 0.3731-0.0000 ( 3496 PWs) bands (ev): -4.6055 -4.6055 -4.6053 -4.6053 -2.6899 -2.6899 -2.6868 -2.6868 3.3823 3.3823 3.3953 3.3953 6.1538 6.1538 6.1571 6.1571 6.8621 6.8621 6.8765 6.8765 7.1894 7.1894 7.2637 7.2637 8.1830 8.1830 8.1972 8.1972 9.4451 9.4451 9.4740 9.4740 9.5729 9.5729 9.5921 9.5921 10.1991 10.1991 10.2062 10.2062 11.2003 11.2003 11.2280 11.2280 12.2775 12.2775 12.4233 12.4233 k = 0.1250 0.3731-0.0000 ( 3496 PWs) bands (ev): -4.6210 -4.6210 -4.6208 -4.6208 -2.6968 -2.6968 -2.6939 -2.6939 3.3583 3.3583 3.3699 3.3699 6.2046 6.2046 6.2070 6.2070 6.9012 6.9012 6.9160 6.9160 7.2276 7.2276 7.3000 7.3000 8.2013 8.2013 8.2184 8.2184 9.4509 9.4509 9.4778 9.4778 9.5721 9.5721 9.5942 9.5942 10.2061 10.2061 10.2153 10.2153 11.2433 11.2433 11.2778 11.2778 12.2778 12.2778 12.4271 12.4271 k = 0.1136 0.3731-0.0000 ( 3496 PWs) bands (ev): -4.6353 -4.6353 -4.6351 -4.6351 -2.7032 -2.7032 -2.7006 -2.7006 3.3363 3.3363 3.3466 3.3466 6.2539 6.2539 6.2554 6.2554 6.9313 6.9313 6.9448 6.9448 7.2681 7.2681 7.3362 7.3362 8.2228 8.2228 8.2418 8.2418 9.4518 9.4518 9.4766 9.4766 9.5737 9.5737 9.5977 9.5977 10.2119 10.2119 10.2231 10.2231 11.2914 11.2914 11.3329 11.3329 12.2753 12.2753 12.4278 12.4278 k = 0.1023 0.3731-0.0000 ( 3500 PWs) bands (ev): -4.6484 -4.6484 -4.6483 -4.6483 -2.7092 -2.7092 -2.7068 -2.7068 3.3163 3.3163 3.3253 3.3253 6.3013 6.3013 6.3020 6.3020 6.9534 6.9534 6.9647 6.9647 7.3083 7.3083 7.3705 7.3705 8.2481 8.2481 8.2680 8.2680 9.4472 9.4472 9.4703 9.4703 9.5780 9.5780 9.6027 9.6027 10.2169 10.2169 10.2297 10.2297 11.3438 11.3438 11.3923 11.3923 12.2695 12.2695 12.4246 12.4246 k = 0.0909 0.3731-0.0000 ( 3504 PWs) bands (ev): -4.6602 -4.6602 -4.6601 -4.6601 -2.7146 -2.7146 -2.7125 -2.7125 3.2983 3.2983 3.3061 3.3061 6.3463 6.3463 6.3465 6.3465 6.9689 6.9689 6.9777 6.9777 7.3459 7.3459 7.4012 7.4012 8.2771 8.2771 8.2970 8.2970 9.4378 9.4378 9.4597 9.4597 9.5845 9.5845 9.6087 9.6087 10.2212 10.2212 10.2351 10.2351 11.3998 11.3998 11.4551 11.4551 12.2602 12.2602 12.4168 12.4168 k = 0.0795 0.3731-0.0000 ( 3504 PWs) bands (ev): -4.6707 -4.6707 -4.6706 -4.6706 -2.7194 -2.7194 -2.7176 -2.7176 3.2824 3.2824 3.2891 3.2891 6.3881 6.3881 6.3887 6.3887 6.9791 6.9791 6.9855 6.9855 7.3793 7.3793 7.4272 7.4272 8.3095 8.3095 8.3285 8.3285 9.4249 9.4249 9.4455 9.4455 9.5924 9.5924 9.6150 9.6150 10.2250 10.2250 10.2393 10.2393 11.4584 11.4584 11.5201 11.5201 12.2472 12.2472 12.4035 12.4035 k = 0.0682 0.3731-0.0000 ( 3508 PWs) bands (ev): -4.6799 -4.6799 -4.6798 -4.6798 -2.7236 -2.7236 -2.7221 -2.7221 3.2685 3.2685 3.2742 3.2742 6.4267 6.4267 6.4277 6.4277 6.9850 6.9850 6.9892 6.9892 7.4076 7.4076 7.4481 7.4481 8.3441 8.3441 8.3616 8.3616 9.4096 9.4096 9.4288 9.4288 9.6006 9.6006 9.6211 9.6211 10.2284 10.2284 10.2425 10.2425 11.5187 11.5187 11.5860 11.5860 12.2305 12.2305 12.3842 12.3842 k = 0.0568 0.3731-0.0000 ( 3504 PWs) bands (ev): -4.6877 -4.6877 -4.6876 -4.6876 -2.7273 -2.7273 -2.7259 -2.7259 3.2569 3.2569 3.2615 3.2615 6.4614 6.4614 6.4626 6.4626 6.9876 6.9876 6.9902 6.9902 7.4308 7.4308 7.4639 7.4639 8.3793 8.3793 8.3946 8.3946 9.3936 9.3936 9.4109 9.4109 9.6088 9.6088 9.6264 9.6264 10.2316 10.2316 10.2447 10.2447 11.5793 11.5793 11.6508 11.6508 12.2106 12.2106 12.3584 12.3584 k = 0.0455 0.3731-0.0000 ( 3502 PWs) bands (ev): -4.6941 -4.6941 -4.6941 -4.6941 -2.7302 -2.7302 -2.7292 -2.7292 3.2474 3.2474 3.2510 3.2510 6.4916 6.4916 6.4929 6.4929 6.9878 6.9878 6.9892 6.9892 7.4492 7.4492 7.4751 7.4751 8.4129 8.4129 8.4257 8.4257 9.3780 9.3780 9.3929 9.3929 9.6162 9.6162 9.6308 9.6308 10.2345 10.2345 10.2460 10.2460 11.6390 11.6390 11.7121 11.7121 12.1891 12.1891 12.3263 12.3263 k = 0.0341 0.3731-0.0000 ( 3498 PWs) bands (ev): -4.6991 -4.6991 -4.6991 -4.6991 -2.7325 -2.7325 -2.7317 -2.7317 3.2401 3.2401 3.2428 3.2428 6.5165 6.5165 6.5177 6.5177 6.9866 6.9866 6.9872 6.9872 7.4632 7.4632 7.4823 7.4823 8.4427 8.4427 8.4528 8.4528 9.3643 9.3643 9.3762 9.3762 9.6227 9.6227 9.6339 9.6339 10.2373 10.2373 10.2465 10.2465 11.6960 11.6960 11.7661 11.7661 12.1689 12.1689 12.2890 12.2890 k = 0.0227 0.3731-0.0000 ( 3492 PWs) bands (ev): -4.7027 -4.7027 -4.7027 -4.7027 -2.7341 -2.7341 -2.7336 -2.7336 3.2349 3.2349 3.2368 3.2368 6.5352 6.5352 6.5361 6.5361 6.9849 6.9849 6.9851 6.9851 7.4736 7.4736 7.4861 7.4861 8.4666 8.4666 8.4735 8.4735 9.3539 9.3539 9.3623 9.3623 9.6281 9.6281 9.6357 9.6357 10.2398 10.2398 10.2462 10.2462 11.7477 11.7477 11.8064 11.8064 12.1557 12.1557 12.2486 12.2486 k = 0.0114 0.3731-0.0000 ( 3496 PWs) bands (ev): -4.7049 -4.7049 -4.7048 -4.7048 -2.7350 -2.7350 -2.7348 -2.7348 3.2320 3.2320 3.2330 3.2330 6.5468 6.5468 6.5474 6.5474 6.9834 6.9834 6.9835 6.9835 7.4808 7.4808 7.4870 7.4870 8.4826 8.4826 8.4861 8.4861 9.3480 9.3480 9.3523 9.3523 9.6321 9.6321 9.6359 9.6359 10.2420 10.2420 10.2453 10.2453 11.7906 11.7906 11.8254 11.8254 12.1567 12.1567 12.2089 12.2089 k = 0.0000 0.3731-0.0000 ( 3492 PWs) bands (ev): -4.7056 -4.7056 -4.7056 -4.7056 -2.7353 -2.7353 -2.7352 -2.7352 3.2314 3.2314 3.2314 3.2314 6.5510 6.5510 6.5511 6.5511 6.9828 6.9828 6.9829 6.9829 7.4851 7.4851 7.4852 7.4852 8.4892 8.4892 8.4893 8.4893 9.3473 9.3473 9.3475 9.3475 9.6346 9.6346 9.6349 9.6349 10.2438 10.2438 10.2440 10.2440 11.8189 11.8189 11.8190 11.8190 12.1757 12.1757 12.1759 12.1759 k = 0.0000 0.3731-0.0000 ( 3492 PWs) bands (ev): -4.7056 -4.7056 -4.7056 -4.7056 -2.7353 -2.7353 -2.7352 -2.7352 3.2314 3.2314 3.2314 3.2314 6.5510 6.5510 6.5511 6.5511 6.9828 6.9828 6.9829 6.9829 7.4851 7.4851 7.4852 7.4852 8.4892 8.4892 8.4893 8.4893 9.3473 9.3473 9.3475 9.3475 9.6346 9.6346 9.6349 9.6349 10.2438 10.2438 10.2440 10.2440 11.8189 11.8189 11.8190 11.8190 12.1757 12.1757 12.1759 12.1759 k = 0.0000 0.3618-0.0000 ( 3496 PWs) bands (ev): -4.7730 -4.7730 -4.6374 -4.6374 -2.7490 -2.7490 -2.7211 -2.7211 3.2292 3.2292 3.2380 3.2380 6.5358 6.5358 6.5672 6.5672 6.8882 6.8882 7.0455 7.0455 7.4420 7.4420 7.5574 7.5574 8.4421 8.4421 8.5355 8.5355 9.3157 9.3157 9.3754 9.3754 9.6318 9.6318 9.6371 9.6371 10.1982 10.1982 10.2880 10.2880 11.8051 11.8051 11.8304 11.8304 12.1383 12.1383 12.2165 12.2165 k = 0.0000 0.3505-0.0000 ( 3496 PWs) bands (ev): -4.8395 -4.8395 -4.5688 -4.5688 -2.7621 -2.7621 -2.7066 -2.7066 3.2317 3.2317 3.2491 3.2491 6.5212 6.5212 6.5843 6.5843 6.7692 6.7692 7.0771 7.0771 7.4223 7.4223 7.6554 7.6554 8.3942 8.3942 8.5808 8.5808 9.2800 9.2800 9.3999 9.3999 9.6283 9.6283 9.6388 9.6388 10.1516 10.1516 10.3297 10.3297 11.7895 11.7895 11.8390 11.8390 12.1047 12.1047 12.2596 12.2596 k = 0.0000 0.3392-0.0000 ( 3488 PWs) bands (ev): -4.9049 -4.9049 -4.5000 -4.5000 -2.7743 -2.7743 -2.6922 -2.6922 3.2388 3.2388 3.2643 3.2643 6.5056 6.5056 6.5999 6.5999 6.6391 6.6391 7.0861 7.0861 7.4180 7.4180 7.7699 7.7699 8.3454 8.3454 8.6252 8.6252 9.2403 9.2403 9.4212 9.4212 9.6243 9.6243 9.6401 9.6401 10.1048 10.1048 10.3681 10.3681 11.7732 11.7732 11.8444 11.8444 12.0758 12.0758 12.3045 12.3045 k = 0.0000 0.3279-0.0000 ( 3496 PWs) bands (ev): -4.9691 -4.9691 -4.4312 -4.4312 -2.7852 -2.7852 -2.6778 -2.6778 3.2507 3.2507 3.2837 3.2837 6.4612 6.4612 6.5217 6.5217 6.6242 6.6242 7.0812 7.0812 7.4223 7.4223 7.8920 7.8920 8.2960 8.2960 8.6687 8.6687 9.1962 9.1962 9.4390 9.4390 9.6199 9.6199 9.6408 9.6408 10.0580 10.0580 10.4022 10.4022 11.7570 11.7570 11.8464 11.8464 12.0521 12.0521 12.3505 12.3505 k = 0.0000 0.3166-0.0000 ( 3500 PWs) bands (ev): -5.0318 -5.0318 -4.3630 -4.3630 -2.7944 -2.7944 -2.6637 -2.6637 3.2674 3.2674 3.3070 3.3070 6.3252 6.3252 6.4967 6.4967 6.6442 6.6442 7.0679 7.0679 7.4310 7.4310 8.0159 8.0159 8.2460 8.2460 8.7112 8.7112 9.1478 9.1478 9.4534 9.4534 9.6153 9.6153 9.6411 9.6411 10.0118 10.0118 10.4309 10.4309 11.7422 11.7422 11.8449 11.8449 12.0342 12.0342 12.3971 12.3971 k = 0.0000 0.3053-0.0000 ( 3500 PWs) bands (ev): -5.0931 -5.0931 -4.2956 -4.2956 -2.8017 -2.8017 -2.6499 -2.6499 3.2890 3.2890 3.3341 3.3341 6.1722 6.1722 6.4862 6.4862 6.6657 6.6657 7.0498 7.0498 7.4415 7.4415 8.1373 8.1373 8.1956 8.1956 8.7528 8.7528 9.0953 9.0953 9.4643 9.4643 9.6108 9.6108 9.6413 9.6413 9.9665 9.9665 10.4531 10.4531 11.7298 11.7298 11.8399 11.8399 12.0229 12.0229 12.4440 12.4440 k = 0.0000 0.2940-0.0000 ( 3498 PWs) bands (ev): -5.1527 -5.1527 -4.2297 -4.2297 -2.8064 -2.8064 -2.6366 -2.6366 3.3155 3.3155 3.3649 3.3649 6.0157 6.0157 6.4785 6.4785 6.6881 6.6881 7.0288 7.0288 7.4524 7.4524 8.1446 8.1446 8.2529 8.2529 8.7937 8.7937 9.0395 9.0395 9.4714 9.4714 9.6067 9.6067 9.6415 9.6415 9.9223 9.9223 10.4680 10.4680 11.7211 11.7211 11.8311 11.8311 12.0191 12.0191 12.4114 12.4114 k = 0.0000 0.2826-0.0000 ( 3496 PWs) bands (ev): -5.2105 -5.2105 -4.1656 -4.1656 -2.8082 -2.8082 -2.6239 -2.6239 3.3469 3.3469 3.3991 3.3991 5.8577 5.8577 6.4726 6.4726 6.7115 6.7115 7.0059 7.0059 7.4627 7.4627 8.0934 8.0934 8.3586 8.3586 8.8340 8.8340 8.9822 8.9822 9.4744 9.4744 9.6032 9.6032 9.6419 9.6419 9.8796 9.8796 10.4749 10.4749 11.7168 11.7168 11.8179 11.8179 12.0241 12.0241 12.3588 12.3588 k = 0.0000 0.2713-0.0000 ( 3498 PWs) bands (ev): -5.2666 -5.2666 -4.1041 -4.1041 -2.8065 -2.8065 -2.6118 -2.6118 3.3831 3.3831 3.4367 3.4367 5.6994 5.6994 6.4683 6.4683 6.7356 6.7356 6.9820 6.9820 7.4717 7.4717 8.0421 8.0421 8.4482 8.4482 8.8739 8.8739 8.9281 8.9281 9.4731 9.4731 9.6004 9.6004 9.6428 9.6428 9.8385 9.8385 10.4735 10.4735 11.7176 11.7176 11.8004 11.8004 12.0386 12.0386 12.3116 12.3116 k = 0.0000 0.2600-0.0000 ( 3502 PWs) bands (ev): -5.3208 -5.3208 -4.0457 -4.0457 -2.8008 -2.8008 -2.6003 -2.6003 3.4241 3.4241 3.4774 3.4774 5.5415 5.5415 6.4655 6.4655 6.7603 6.7603 6.9574 6.9574 7.4789 7.4789 7.9906 7.9906 8.5096 8.5096 8.8873 8.8873 8.9146 8.9146 9.4674 9.4674 9.5981 9.5981 9.6445 9.6445 9.7994 9.7994 10.4640 10.4640 11.7217 11.7217 11.7810 11.7810 12.0627 12.0627 12.2702 12.2702 k = 0.0000 0.2487-0.0000 ( 3506 PWs) bands (ev): -5.3731 -5.3731 -3.9910 -3.9910 -2.7904 -2.7904 -2.5895 -2.5895 3.4698 3.4698 3.5211 3.5211 5.3845 5.3845 6.4641 6.4641 6.7854 6.7854 6.9325 6.9325 7.4841 7.4841 7.9393 7.9393 8.5246 8.5246 8.8774 8.8774 8.9559 8.9559 9.4578 9.4578 9.5959 9.5959 9.6467 9.6467 9.7630 9.7630 10.4467 10.4467 11.7199 11.7199 11.7703 11.7703 12.0945 12.0945 12.2357 12.2357 k = 0.0000 0.2374-0.0000 ( 3500 PWs) bands (ev): -5.4233 -5.4233 -3.9408 -3.9408 -2.7749 -2.7749 -2.5794 -2.5794 3.5199 3.5199 3.5679 3.5679 5.2290 5.2290 6.4642 6.4642 6.8106 6.8106 6.9080 6.9080 7.4869 7.4869 7.8883 7.8883 8.4881 8.4881 8.9013 8.9013 8.9995 8.9995 9.4448 9.4448 9.5934 9.5934 9.6484 9.6484 9.7307 9.7307 10.4226 10.4226 11.6989 11.6989 11.7828 11.7828 12.1269 12.1269 12.2143 12.2143 k = 0.0000 0.2261-0.0000 ( 3496 PWs) bands (ev): -5.4715 -5.4715 -3.8954 -3.8954 -2.7539 -2.7539 -2.5700 -2.5700 3.5738 3.5738 3.6179 3.6179 5.0754 5.0754 6.4656 6.4656 6.8338 6.8338 6.8857 6.8857 7.4871 7.4871 7.8376 7.8376 8.4171 8.4171 8.9413 8.9413 9.0461 9.0461 9.4288 9.4288 9.5901 9.5901 9.6453 9.6453 9.7068 9.7068 10.3923 10.3923 11.6681 11.6681 11.8099 11.8099 12.1368 12.1368 12.2281 12.2281 k = 0.0000 0.2148-0.0000 ( 3492 PWs) bands (ev): -5.5176 -5.5176 -3.8553 -3.8553 -2.7272 -2.7272 -2.5614 -2.5614 3.6306 3.6306 3.6718 3.6718 4.9241 4.9241 6.4684 6.4684 6.8415 6.8415 6.8792 6.8792 7.4846 7.4846 7.7875 7.7875 8.3271 8.3271 8.9828 8.9828 9.0952 9.0952 9.4106 9.4106 9.5856 9.5856 9.6315 9.6315 9.6977 9.6977 10.3570 10.3570 11.6343 11.6343 11.8445 11.8445 12.1238 12.1238 12.2770 12.2770 k = 0.0000 0.2035-0.0000 ( 3492 PWs) bands (ev): -5.5615 -5.5615 -3.8207 -3.8207 -2.6949 -2.6949 -2.5534 -2.5534 3.6886 3.6886 3.7309 3.7309 4.7757 4.7757 6.4726 6.4726 6.8228 6.8228 6.8991 6.8991 7.4791 7.4791 7.7381 7.7381 8.2259 8.2259 9.0211 9.0211 9.1442 9.1442 9.3906 9.3906 9.5784 9.5784 9.6108 9.6108 9.7008 9.7008 10.3175 10.3175 11.5998 11.5998 11.8813 11.8813 12.1111 12.1111 12.3397 12.3397 k = 0.0000 0.1922-0.0000 ( 3488 PWs) bands (ev): -5.6033 -5.6033 -3.7915 -3.7915 -2.6570 -2.6570 -2.5462 -2.5462 3.7463 3.7463 3.7964 3.7964 4.6306 4.6306 6.4781 6.4781 6.7982 6.7982 6.9246 6.9246 7.4704 7.4704 7.6897 7.6897 8.1172 8.1172 9.0558 9.0558 9.1904 9.1904 9.3696 9.3696 9.5644 9.5644 9.5942 9.5942 9.7095 9.7095 10.2749 10.2749 11.5659 11.5659 11.9123 11.9123 12.1112 12.1112 12.4095 12.4095 k = 0.0000 0.1809-0.0000 ( 3492 PWs) bands (ev): -5.6428 -5.6428 -3.7674 -3.7674 -2.6143 -2.6143 -2.5396 -2.5396 3.8030 3.8030 3.8683 3.8683 4.4893 4.4893 6.4849 6.4849 6.7722 6.7722 6.9513 6.9513 7.4586 7.4586 7.6424 7.6424 8.0034 8.0034 9.0877 9.0877 9.2311 9.2311 9.3490 9.3490 9.5426 9.5426 9.5850 9.5850 9.7206 9.7206 10.2299 10.2299 11.5332 11.5332 11.9265 11.9265 12.1348 12.1348 12.4840 12.4840 k = 0.0000 0.1696-0.0000 ( 3494 PWs) bands (ev): -5.6801 -5.6801 -3.7481 -3.7481 -2.5673 -2.5673 -2.5337 -2.5337 3.8588 3.8588 3.9459 3.9459 4.3524 4.3524 6.4929 6.4929 6.7450 6.7450 6.9779 6.9779 7.4434 7.4434 7.5968 7.5968 7.8862 7.8862 9.1174 9.1174 9.2615 9.2615 9.3332 9.3332 9.5188 9.5188 9.5791 9.5791 9.7333 9.7333 10.1833 10.1833 11.5023 11.5023 11.9220 11.9220 12.1832 12.1832 12.5617 12.5617 k = 0.0000 0.1583-0.0000 ( 3485 PWs) bands (ev): -5.7150 -5.7150 -3.7330 -3.7330 -2.5288 -2.5288 -2.5165 -2.5165 3.9139 3.9139 4.0283 4.0283 4.2209 4.2209 6.5021 6.5021 6.7167 6.7167 7.0042 7.0042 7.4246 7.4246 7.5530 7.5530 7.7673 7.7673 9.1451 9.1451 9.2697 9.2697 9.3345 9.3345 9.4953 9.4953 9.5743 9.5743 9.7471 9.7471 10.1358 10.1358 11.4735 11.4735 11.9058 11.9058 12.2483 12.2483 12.6415 12.6415 k = 0.0000 0.1470-0.0000 ( 3487 PWs) bands (ev): -5.7477 -5.7477 -3.7216 -3.7216 -2.5239 -2.5239 -2.4638 -2.4638 3.9671 3.9671 4.0851 4.0851 4.1260 4.1260 6.5122 6.5122 6.6865 6.6865 7.0299 7.0299 7.4019 7.4019 7.5114 7.5114 7.6486 7.6486 9.1707 9.1707 9.2568 9.2568 9.3531 9.3531 9.4730 9.4730 9.5698 9.5698 9.7613 9.7613 10.0881 10.0881 11.4471 11.4471 11.8839 11.8839 12.3228 12.3228 12.7224 12.7224 k = 0.0000 0.1357-0.0000 ( 3481 PWs) bands (ev): -5.7780 -5.7780 -3.7133 -3.7133 -2.5197 -2.5197 -2.4095 -2.4095 3.9631 3.9631 4.0285 4.0285 4.2109 4.2109 6.5229 6.5229 6.6537 6.6537 7.0547 7.0547 7.3748 7.3748 7.4714 7.4714 7.5337 7.5337 9.1915 9.1915 9.2408 9.2408 9.3744 9.3744 9.4520 9.4520 9.5658 9.5658 9.7757 9.7757 10.0407 10.0407 11.4231 11.4231 11.8595 11.8595 12.4026 12.4026 12.8033 12.8033 k = 0.0000 0.1244-0.0000 ( 3487 PWs) bands (ev): -5.8060 -5.8060 -3.7074 -3.7074 -2.5160 -2.5160 -2.3548 -2.3548 3.8520 3.8520 4.0773 4.0773 4.3068 4.3068 6.5331 6.5331 6.6180 6.6180 7.0782 7.0782 7.3407 7.3407 7.4141 7.4141 7.4470 7.4470 9.1947 9.1947 9.2400 9.2400 9.3937 9.3937 9.4327 9.4327 9.5619 9.5619 9.7894 9.7894 9.9944 9.9944 11.4015 11.4015 11.8340 11.8340 12.4848 12.4848 12.8832 12.8832 k = 0.0000 0.1131-0.0000 ( 3483 PWs) bands (ev): -5.8316 -5.8316 -3.7035 -3.7035 -2.5129 -2.5129 -2.3006 -2.3006 3.7444 3.7444 4.1274 4.1274 4.4069 4.4069 6.5360 6.5360 6.5840 6.5840 7.0993 7.0993 7.2827 7.2827 7.3391 7.3391 7.4096 7.4096 9.1789 9.1789 9.2580 9.2580 9.4103 9.4103 9.4150 9.4150 9.5582 9.5582 9.8014 9.8014 9.9507 9.9507 11.3823 11.3823 11.8084 11.8084 12.5674 12.5674 12.9607 12.9607 k = 0.0000 0.1018-0.0000 ( 3479 PWs) bands (ev): -5.8548 -5.8548 -3.7012 -3.7012 -2.5101 -2.5101 -2.2480 -2.2480 3.6440 3.6440 4.1755 4.1755 4.5108 4.5108 6.5043 6.5043 6.5764 6.5764 7.1135 7.1135 7.2014 7.2014 7.2966 7.2966 7.3790 7.3790 9.1593 9.1593 9.2804 9.2804 9.3991 9.3991 9.4243 9.4243 9.5549 9.5549 9.8088 9.8088 9.9124 9.9124 11.3654 11.3654 11.7835 11.7835 12.6486 12.6486 13.0320 13.0320 k = 0.0000 0.0904-0.0000 ( 3479 PWs) bands (ev): -5.8756 -5.8756 -3.7000 -3.7000 -2.5078 -2.5078 -2.1979 -2.1979 3.5516 3.5516 4.2208 4.2208 4.6183 4.6183 6.4438 6.4438 6.5869 6.5869 7.0867 7.0867 7.1628 7.1628 7.2625 7.2625 7.3510 7.3510 9.1399 9.1399 9.3034 9.3034 9.3849 9.3849 9.4359 9.4359 9.5518 9.5518 9.8039 9.8039 9.8872 9.8872 11.3507 11.3507 11.7596 11.7596 12.7267 12.7267 13.0760 13.0760 k = 0.0000 0.0791-0.0000 ( 3483 PWs) bands (ev): -5.8940 -5.8940 -3.6996 -3.6996 -2.5058 -2.5058 -2.1511 -2.1511 3.4680 3.4680 4.2627 4.2627 4.7291 4.7291 6.3673 6.3673 6.6007 6.6007 7.0227 7.0227 7.1711 7.1711 7.2317 7.2317 7.3251 7.3251 9.1219 9.1219 9.3262 9.3262 9.3729 9.3729 9.4454 9.4454 9.5489 9.5489 9.7807 9.7807 9.8811 9.8811 11.3381 11.3381 11.7374 11.7374 12.8001 12.8001 13.0951 13.0951 k = 0.0000 0.0678-0.0000 ( 3481 PWs) bands (ev): -5.9100 -5.9100 -3.6997 -3.6997 -2.5042 -2.5042 -2.1086 -2.1086 3.3938 3.3938 4.3006 4.3006 4.8429 4.8429 6.2771 6.2771 6.6154 6.6154 6.9656 6.9656 7.1815 7.1815 7.2067 7.2067 7.3014 7.3014 9.1057 9.1057 9.3461 9.3461 9.3657 9.3657 9.4531 9.4531 9.5463 9.5463 9.7473 9.7473 9.8859 9.8859 11.3275 11.3275 11.7171 11.7171 12.8674 12.8674 13.1090 13.1090 k = 0.0000 0.0565-0.0000 ( 3485 PWs) bands (ev): -5.9235 -5.9235 -3.7002 -3.7002 -2.5028 -2.5028 -2.0711 -2.0711 3.3298 3.3298 4.3339 4.3339 4.9595 4.9595 6.1753 6.1753 6.6300 6.6300 6.9202 6.9202 7.1709 7.1709 7.2049 7.2049 7.2802 7.2802 9.0915 9.0915 9.3480 9.3480 9.3783 9.3783 9.4592 9.4592 9.5438 9.5438 9.7118 9.7118 9.8937 9.8937 11.3187 11.3187 11.6992 11.6992 12.9272 12.9272 13.1203 13.1203 k = 0.0000 0.0452-0.0000 ( 3489 PWs) bands (ev): -5.9346 -5.9346 -3.7008 -3.7008 -2.5018 -2.5018 -2.0394 -2.0394 3.2766 3.2766 4.3620 4.3620 5.0784 5.0784 6.0645 6.0645 6.6439 6.6439 6.8854 6.8854 7.1504 7.1504 7.2145 7.2145 7.2619 7.2619 9.0798 9.0798 9.3417 9.3417 9.4006 9.4006 9.4642 9.4642 9.5413 9.5413 9.6772 9.6772 9.9015 9.9015 11.3117 11.3117 11.6841 11.6841 12.9782 12.9782 13.1294 13.1294 k = 0.0000 0.0339-0.0000 ( 3485 PWs) bands (ev): -5.9432 -5.9432 -3.7014 -3.7014 -2.5010 -2.5010 -2.0140 -2.0140 3.2345 3.2345 4.3845 4.3845 5.1993 5.1993 5.9477 5.9477 6.6563 6.6563 6.8596 6.8596 7.1327 7.1327 7.2232 7.2232 7.2471 7.2471 9.0706 9.0706 9.3362 9.3362 9.4234 9.4234 9.4683 9.4683 9.5385 9.5385 9.6453 9.6453 9.9084 9.9084 11.3063 11.3063 11.6720 11.6720 13.0191 13.0191 13.1364 13.1364 k = 0.0000 0.0226-0.0000 ( 3489 PWs) bands (ev): -5.9493 -5.9493 -3.7020 -3.7020 -2.5004 -2.5004 -1.9955 -1.9955 3.2042 3.2042 4.4009 4.4009 5.3213 5.3213 5.8273 5.8273 6.6665 6.6665 6.8416 6.8416 7.1193 7.1193 7.2291 7.2291 7.2366 7.2366 9.0639 9.0639 9.3321 9.3321 9.4442 9.4442 9.4728 9.4728 9.5348 9.5348 9.6181 9.6181 9.9135 9.9135 11.3025 11.3025 11.6632 11.6632 13.0492 13.0492 13.1414 13.1414 k = 0.0000 0.0113-0.0000 ( 3491 PWs) bands (ev): -5.9530 -5.9530 -3.7023 -3.7023 -2.5001 -2.5001 -1.9842 -1.9842 3.1858 3.1858 4.4109 4.4109 5.4422 5.4422 5.7069 5.7069 6.6732 6.6732 6.8308 6.8308 7.1110 7.1110 7.2280 7.2280 7.2349 7.2349 9.0598 9.0598 9.3296 9.3296 9.4579 9.4579 9.4803 9.4803 9.5292 9.5292 9.5988 9.5988 9.9167 9.9167 11.3004 11.3004 11.6578 11.6578 13.0675 13.0675 13.1443 13.1443 k = 0.0000 0.0000 0.0000 ( 3495 PWs) bands (ev): -5.9543 -5.9543 -3.7024 -3.7024 -2.5000 -2.5000 -1.9805 -1.9805 3.1797 3.1797 4.4142 4.4142 5.5315 5.5315 5.6177 5.6177 6.6756 6.6756 6.8272 6.8272 7.1082 7.1082 7.2261 7.2261 7.2359 7.2359 9.0585 9.0585 9.3287 9.3287 9.4617 9.4617 9.4864 9.4864 9.5252 9.5252 9.5917 9.5917 9.9178 9.9178 11.2996 11.2996 11.6560 11.6560 13.0736 13.0736 13.1453 13.1453 k = 0.0000 0.0000 0.0000 ( 3495 PWs) bands (ev): -5.9543 -5.9543 -3.7024 -3.7024 -2.5000 -2.5000 -1.9805 -1.9805 3.1797 3.1797 4.4142 4.4142 5.5315 5.5315 5.6177 5.6177 6.6756 6.6756 6.8272 6.8272 7.1082 7.1082 7.2261 7.2261 7.2359 7.2359 9.0585 9.0585 9.3287 9.3287 9.4617 9.4617 9.4864 9.4864 9.5252 9.5252 9.5917 9.5917 9.9178 9.9178 11.2996 11.2996 11.6560 11.6560 13.0736 13.0736 13.1453 13.1453 k = 0.0000 0.0000 0.0112 ( 3489 PWs) bands (ev): -5.9531 -5.9531 -3.7064 -3.7064 -2.4974 -2.4974 -1.9803 -1.9803 3.1805 3.1805 4.4167 4.4167 5.5280 5.5280 5.6194 5.6194 6.6741 6.6741 6.8113 6.8113 7.1042 7.1042 7.2299 7.2299 7.2567 7.2567 9.0597 9.0597 9.3106 9.3106 9.4616 9.4616 9.5030 9.5030 9.5248 9.5248 9.5923 9.5923 9.9167 9.9167 11.2990 11.2990 11.6532 11.6532 13.0728 13.0728 13.1445 13.1445 k = 0.0000 0.0000 0.0223 ( 3493 PWs) bands (ev): -5.9497 -5.9497 -3.7184 -3.7184 -2.4900 -2.4900 -1.9800 -1.9800 3.1828 3.1828 4.4242 4.4242 5.5176 5.5176 5.6245 5.6245 6.6679 6.6679 6.7731 6.7731 7.0976 7.0976 7.2331 7.2331 7.3140 7.3140 9.0632 9.0632 9.2692 9.2692 9.4613 9.4613 9.5199 9.5199 9.5421 9.5421 9.5948 9.5948 9.9132 9.9132 11.2971 11.2971 11.6449 11.6449 13.0704 13.0704 13.1421 13.1421 k = 0.0000 0.0000 0.0335 ( 3489 PWs) bands (ev): -5.9441 -5.9441 -3.7379 -3.7379 -2.4780 -2.4780 -1.9794 -1.9794 3.1868 3.1868 4.4367 4.4367 5.5002 5.5002 5.6330 5.6330 6.6482 6.6482 6.7345 6.7345 7.0923 7.0923 7.2376 7.2376 7.3888 7.3888 9.0690 9.0690 9.2189 9.2189 9.4609 9.4609 9.5152 9.5152 9.5789 9.5789 9.6053 9.6053 9.9075 9.9075 11.2940 11.2940 11.6314 11.6314 13.0664 13.0664 13.1383 13.1383 k = 0.0000 0.0000 0.0447 ( 3481 PWs) bands (ev): -5.9362 -5.9362 -3.7644 -3.7644 -2.4619 -2.4619 -1.9786 -1.9786 3.1923 3.1923 4.4541 4.4541 5.4756 5.4756 5.6448 5.6448 6.6051 6.6051 6.7148 6.7148 7.0877 7.0877 7.2438 7.2438 7.4720 7.4720 9.0764 9.0764 9.1657 9.1657 9.4604 9.4604 9.5072 9.5072 9.5932 9.5932 9.6420 9.6420 9.8997 9.8997 11.2898 11.2898 11.6129 11.6129 13.0607 13.0607 13.1330 13.1330 k = 0.0000 0.0000 0.0559 ( 3481 PWs) bands (ev): -5.9261 -5.9261 -3.7972 -3.7972 -2.4424 -2.4424 -1.9776 -1.9776 3.1993 3.1993 4.4763 4.4763 5.4439 5.4439 5.6600 5.6600 6.5487 6.5487 6.7088 6.7088 7.0833 7.0833 7.2516 7.2516 7.5587 7.5587 9.0800 9.0800 9.1166 9.1166 9.4595 9.4595 9.4962 9.4962 9.6003 9.6003 9.6874 9.6874 9.8899 9.8899 11.2845 11.2845 11.5899 11.5899 13.0534 13.0534 13.1266 13.1266 k = 0.0000 0.0000 0.0670 ( 3479 PWs) bands (ev): -5.9137 -5.9137 -3.8356 -3.8356 -2.4202 -2.4202 -1.9764 -1.9764 3.2079 3.2079 4.5034 4.5034 5.4052 5.4052 5.6784 5.6784 6.4903 6.4903 6.7080 6.7080 7.0786 7.0786 7.2611 7.2611 7.6463 7.6463 9.0438 9.0438 9.1084 9.1084 9.4578 9.4578 9.4824 9.4824 9.6079 9.6079 9.7328 9.7328 9.8782 9.8782 11.2782 11.2782 11.5631 11.5631 13.0444 13.0444 13.1192 13.1192 k = 0.0000 0.0000 0.0782 ( 3491 PWs) bands (ev): -5.8991 -5.8991 -3.8788 -3.8788 -2.3959 -2.3959 -1.9751 -1.9751 3.2179 3.2179 4.5349 4.5349 5.3595 5.3595 5.7002 5.7002 6.4343 6.4343 6.7093 6.7093 7.0734 7.0734 7.2723 7.2723 7.7327 7.7327 8.9881 8.9881 9.1212 9.1212 9.4523 9.4523 9.4689 9.4689 9.6169 9.6169 9.7766 9.7766 9.8649 9.8649 11.2708 11.2708 11.5333 11.5333 13.0339 13.0339 13.1109 13.1109 k = 0.0000 0.0000 0.0894 ( 3489 PWs) bands (ev): -5.8822 -5.8822 -3.9262 -3.9262 -2.3701 -2.3701 -1.9736 -1.9736 3.2295 3.2295 4.5709 4.5709 5.3076 5.3076 5.7254 5.7254 6.3822 6.3822 6.7119 6.7119 7.0678 7.0678 7.2852 7.2852 7.8164 7.8164 8.9304 8.9304 9.1376 9.1376 9.4357 9.4357 9.4631 9.4631 9.6273 9.6273 9.8168 9.8168 9.8517 9.8517 11.2628 11.2628 11.5012 11.5012 13.0221 13.0221 13.1016 13.1016 k = 0.0000 0.0000 0.1005 ( 3481 PWs) bands (ev): -5.8632 -5.8632 -3.9771 -3.9771 -2.3435 -2.3435 -1.9720 -1.9720 3.2426 3.2426 4.6108 4.6108 5.2501 5.2501 5.7539 5.7539 6.3345 6.3345 6.7154 6.7154 7.0617 7.0617 7.2998 7.2998 7.8958 7.8958 8.8724 8.8724 9.1562 9.1562 9.4116 9.4116 9.4614 9.4614 9.6392 9.6392 9.8280 9.8280 9.8637 9.8637 11.2542 11.2542 11.4679 11.4679 13.0089 13.0089 13.0905 13.0905 k = 0.0000 0.0000 0.1117 ( 3481 PWs) bands (ev): -5.8420 -5.8420 -4.0309 -4.0309 -2.3164 -2.3164 -1.9703 -1.9703 3.2573 3.2573 4.6541 4.6541 5.1882 5.1882 5.7858 5.7858 6.2911 6.2911 6.7196 6.7196 7.0550 7.0550 7.3161 7.3161 7.9692 7.9692 8.8143 8.8143 9.1765 9.1765 9.3836 9.3836 9.4608 9.4608 9.6523 9.6523 9.8119 9.8119 9.8992 9.8992 11.2451 11.2451 11.4344 11.4344 12.9948 12.9948 13.0717 13.0717 k = 0.0000 0.0000 0.1229 ( 3477 PWs) bands (ev): -5.8186 -5.8186 -4.0872 -4.0872 -2.2893 -2.2893 -1.9686 -1.9686 3.2736 3.2736 4.6997 4.6997 5.1236 5.1236 5.8212 5.8212 6.2517 6.2517 6.7244 6.7244 7.0478 7.0478 7.3340 7.3340 8.0349 8.0349 8.7566 8.7566 9.1981 9.1981 9.3530 9.3530 9.4607 9.4607 9.6664 9.6664 9.7934 9.7934 9.9335 9.9335 11.2357 11.2357 11.4017 11.4017 12.9797 12.9797 13.0221 13.0221 k = 0.0000 0.0000 0.1340 ( 3477 PWs) bands (ev): -5.7931 -5.7931 -4.1455 -4.1455 -2.2625 -2.2625 -1.9670 -1.9670 3.2915 3.2915 4.7450 4.7450 5.0592 5.0592 5.8600 5.8600 6.2158 6.2158 6.7298 6.7298 7.0400 7.0400 7.3535 7.3535 8.0908 8.0908 8.6995 8.6995 9.2207 9.2207 9.3213 9.3213 9.4611 9.4611 9.6809 9.6809 9.7743 9.7743 9.9650 9.9650 11.2262 11.2262 11.3707 11.3707 12.9557 12.9557 12.9644 12.9644 k = 0.0000 0.0000 0.1452 ( 3473 PWs) bands (ev): -5.7655 -5.7655 -4.2053 -4.2053 -2.2363 -2.2363 -1.9653 -1.9653 3.3112 3.3112 4.7834 4.7834 5.0022 5.0022 5.9024 5.9024 6.1829 6.1829 6.7357 6.7357 7.0318 7.0318 7.3746 7.3746 8.1345 8.1345 8.6432 8.6432 9.2431 9.2431 9.2909 9.2909 9.4621 9.4621 9.6943 9.6943 9.7567 9.7567 9.9935 9.9935 11.2168 11.2168 11.3421 11.3421 12.8916 12.8916 12.9479 12.9479 k = 0.0000 0.0000 0.1564 ( 3469 PWs) bands (ev): -5.7358 -5.7358 -4.2663 -4.2663 -2.2109 -2.2109 -1.9638 -1.9638 3.3327 3.3327 4.7947 4.7947 4.9731 4.9731 5.9481 5.9481 6.1528 6.1528 6.7421 6.7421 7.0230 7.0230 7.3973 7.3973 8.1635 8.1635 8.5880 8.5880 9.2523 9.2523 9.2767 9.2767 9.4635 9.4635 9.7004 9.7004 9.7467 9.7467 10.0186 10.0186 11.2076 11.2076 11.3166 11.3166 12.8320 12.8320 12.9310 12.9310 k = 0.0000 0.0000 0.1676 ( 3467 PWs) bands (ev): -5.7040 -5.7040 -4.3283 -4.3283 -2.1864 -2.1864 -1.9624 -1.9624 3.3561 3.3561 4.7593 4.7593 4.9916 4.9916 5.9960 5.9960 6.1263 6.1263 6.7490 6.7490 7.0139 7.0139 7.4216 7.4216 8.1753 8.1753 8.5339 8.5339 9.2322 9.2322 9.2966 9.2966 9.4656 9.4656 9.6907 9.6907 9.7530 9.7530 10.0403 10.0403 11.1989 11.1989 11.2945 11.2945 12.7781 12.7781 12.9136 12.9136 k = 0.0000 0.0000 0.1787 ( 3465 PWs) bands (ev): -5.6701 -5.6701 -4.3909 -4.3909 -2.1631 -2.1631 -1.9612 -1.9612 3.3815 3.3815 4.6970 4.6970 5.0379 5.0379 6.0382 6.0382 6.1110 6.1110 6.7564 6.7564 7.0043 7.0043 7.4474 7.4474 8.1681 8.1681 8.4808 8.4808 9.2148 9.2148 9.3203 9.3203 9.4682 9.4682 9.6719 9.6719 9.7690 9.7690 10.0585 10.0585 11.1909 11.1909 11.2759 11.2759 12.7302 12.7302 12.8956 12.8956 k = 0.0000 0.0000 0.1899 ( 3465 PWs) bands (ev): -5.6343 -5.6343 -4.4539 -4.4539 -2.1411 -2.1411 -1.9603 -1.9603 3.4090 3.4090 4.6259 4.6259 5.0940 5.0940 6.0441 6.0441 6.1373 6.1373 6.7643 6.7643 6.9944 6.9944 7.4746 7.4746 8.1418 8.1418 8.4283 8.4283 9.2049 9.2049 9.3441 9.3441 9.4714 9.4714 9.6504 9.6504 9.7883 9.7883 10.0731 10.0731 11.1836 11.1836 11.2605 11.2605 12.6887 12.6887 12.8769 12.8769 k = 0.0000 0.0000 0.2011 ( 3471 PWs) bands (ev): -5.5965 -5.5965 -4.5170 -4.5170 -2.1203 -2.1203 -1.9597 -1.9597 3.4387 3.4387 4.5519 4.5519 5.1536 5.1536 6.0233 6.0233 6.1954 6.1954 6.7726 6.7726 6.9841 6.9841 7.5033 7.5033 8.0974 8.0974 8.3757 8.3757 9.2029 9.2029 9.3672 9.3672 9.4749 9.4749 9.6284 9.6284 9.8092 9.8092 10.0841 10.0841 11.1773 11.1773 11.2481 11.2481 12.6536 12.6536 12.8573 12.8573 k = 0.0000 0.0000 0.2122 ( 3479 PWs) bands (ev): -5.5567 -5.5567 -4.5801 -4.5801 -2.1009 -2.1009 -1.9596 -1.9596 3.4707 3.4707 4.4773 4.4773 5.2144 5.2144 5.9971 5.9971 6.2639 6.2639 6.7812 6.7812 6.9736 6.9736 7.5333 7.5333 8.0372 8.0372 8.3228 8.3228 9.2080 9.2080 9.3892 9.3892 9.4786 9.4786 9.6066 9.6066 9.8308 9.8308 10.0915 10.0915 11.1722 11.1722 11.2382 11.2382 12.6251 12.6251 12.8367 12.8367 k = 0.0000 0.0000 0.2234 ( 3476 PWs) bands (ev): -5.5151 -5.5151 -4.6430 -4.6430 -2.0828 -2.0828 -1.9598 -1.9598 3.5051 3.5051 4.4031 4.4031 5.2750 5.2750 5.9691 5.9691 6.3390 6.3390 6.7904 6.7904 6.9628 6.9628 7.5646 7.5646 7.9637 7.9637 8.2697 8.2697 9.2187 9.2187 9.4094 9.4094 9.4821 9.4821 9.5859 9.5859 9.8532 9.8532 10.0956 10.0956 11.1683 11.1683 11.2302 11.2302 12.6031 12.6031 12.8152 12.8152 k = 0.0000 0.0000 0.2346 ( 3486 PWs) bands (ev): -5.4717 -5.4717 -4.7055 -4.7055 -2.0662 -2.0662 -1.9606 -1.9606 3.5419 3.5419 4.3300 4.3300 5.3344 5.3344 5.9397 5.9397 6.4201 6.4201 6.7999 6.7999 6.9518 6.9518 7.5965 7.5965 7.8796 7.8796 8.2168 8.2168 9.2333 9.2333 9.4271 9.4271 9.4848 9.4848 9.5672 9.5672 9.8757 9.8757 10.0962 10.0962 11.1658 11.1658 11.2234 11.2234 12.5876 12.5876 12.7928 12.7928 k = 0.0000 0.0000 0.2458 ( 3494 PWs) bands (ev): -5.4264 -5.4264 -4.7674 -4.7674 -2.0509 -2.0509 -1.9620 -1.9620 3.5814 3.5814 4.2584 4.2584 5.3923 5.3923 5.9090 5.9090 6.5067 6.5067 6.8098 6.8098 6.9406 6.9406 7.6274 7.6274 7.7892 7.7892 8.1647 8.1647 9.2505 9.2505 9.4403 9.4403 9.4867 9.4867 9.5521 9.5521 9.8984 9.8984 10.0937 10.0937 11.1646 11.1646 11.2175 11.2175 12.5783 12.5783 12.7695 12.7695 k = 0.0000 0.0000 0.2569 ( 3496 PWs) bands (ev): -5.3794 -5.3794 -4.8287 -4.8287 -2.0371 -2.0371 -1.9641 -1.9641 3.6234 3.6234 4.1886 4.1886 5.4480 5.4480 5.8769 5.8769 6.5984 6.5984 6.8201 6.8201 6.9294 6.9294 7.6383 7.6383 7.7131 7.7131 8.1136 8.1136 9.2694 9.2694 9.4455 9.4455 9.4898 9.4898 9.5419 9.5419 9.9209 9.9209 10.0883 10.0883 11.1648 11.1648 11.2118 11.2118 12.5750 12.5750 12.7456 12.7456 k = 0.0000 0.0000 0.2681 ( 3498 PWs) bands (ev): -5.3307 -5.3307 -4.8891 -4.8891 -2.0246 -2.0246 -1.9669 -1.9669 3.6681 3.6681 4.1209 4.1209 5.5015 5.5015 5.8434 5.8434 6.6945 6.6945 6.8312 6.8312 6.9181 6.9181 7.5626 7.5626 7.7200 7.7200 8.0637 8.0637 9.2891 9.2891 9.4398 9.4398 9.4964 9.4964 9.5364 9.5364 9.9430 9.9430 10.0800 10.0800 11.1664 11.1664 11.2063 11.2063 12.5774 12.5774 12.7214 12.7214 k = 0.0000 0.0000 0.2793 ( 3510 PWs) bands (ev): -5.2804 -5.2804 -4.9486 -4.9486 -2.0133 -2.0133 -1.9706 -1.9706 3.7154 3.7154 4.0554 4.0554 5.5524 5.5524 5.8081 5.8081 6.7920 6.7920 6.8453 6.8453 6.9070 6.9070 7.4572 7.4572 7.7546 7.7546 8.0151 8.0151 9.3093 9.3093 9.4262 9.4262 9.5050 9.5050 9.5337 9.5337 9.9646 9.9646 10.0692 10.0692 11.1692 11.1692 11.2006 11.2006 12.5847 12.5847 12.6973 12.6973 k = 0.0000 0.0000 0.2904 ( 3510 PWs) bands (ev): -5.2286 -5.2286 -5.0071 -5.0071 -2.0034 -2.0034 -1.9751 -1.9751 3.7655 3.7655 3.9923 3.9923 5.6009 5.6009 5.7709 5.7709 6.8458 6.8458 6.8909 6.8909 6.9121 6.9121 7.3469 7.3469 7.7936 7.7936 7.9678 7.9678 9.3296 9.3296 9.4089 9.4089 9.5133 9.5133 9.5318 9.5318 9.9855 9.9855 10.0560 10.0560 11.1731 11.1731 11.1947 11.1947 12.5964 12.5964 12.6737 12.6737 k = 0.0000 0.0000 0.3016 ( 3506 PWs) bands (ev): -5.1752 -5.1752 -5.0644 -5.0644 -1.9946 -1.9946 -1.9805 -1.9805 3.8182 3.8182 3.9317 3.9317 5.6469 5.6469 5.7318 5.7318 6.8597 6.8597 6.8828 6.8828 7.0141 7.0141 7.2352 7.2352 7.8347 7.8347 7.9220 7.9220 9.3500 9.3500 9.3899 9.3899 9.5203 9.5203 9.5293 9.5293 10.0053 10.0053 10.0408 10.0408 11.1778 11.1778 11.1889 11.1889 12.6119 12.6119 12.6512 12.6512 k = 0.0000 0.0000 0.3128 ( 3504 PWs) bands (ev): -5.1205 -5.1205 -5.1205 -5.1205 -1.9871 -1.9871 -1.9870 -1.9870 3.8736 3.8736 3.8737 3.8737 5.6905 5.6905 5.6905 5.6905 6.8714 6.8714 6.8716 6.8716 7.1237 7.1237 7.1238 7.1238 7.8775 7.8775 7.8777 7.8777 9.3700 9.3700 9.3702 9.3702 9.5254 9.5254 9.5257 9.5257 10.0237 10.0237 10.0240 10.0240 11.1831 11.1831 11.1833 11.1833 12.6303 12.6303 12.6305 12.6305 k = 0.0000 0.0000 0.3128 ( 3504 PWs) bands (ev): -5.1205 -5.1205 -5.1205 -5.1205 -1.9871 -1.9871 -1.9870 -1.9870 3.8736 3.8736 3.8737 3.8737 5.6905 5.6905 5.6905 5.6905 6.8714 6.8714 6.8716 6.8716 7.1237 7.1237 7.1238 7.1238 7.8775 7.8775 7.8777 7.8777 9.3700 9.3700 9.3702 9.3702 9.5254 9.5254 9.5257 9.5257 10.0237 10.0237 10.0240 10.0240 11.1831 11.1831 11.1833 11.1833 12.6303 12.6303 12.6305 12.6305 k = 0.0114-0.0000 0.3128 ( 3502 PWs) bands (ev): -5.1197 -5.1197 -5.1196 -5.1196 -1.9871 -1.9871 -1.9870 -1.9870 3.8743 3.8743 3.8749 3.8749 5.6901 5.6901 5.6910 5.6910 6.8684 6.8684 6.8686 6.8686 7.1161 7.1161 7.1236 7.1236 7.8693 7.8693 7.8850 7.8850 9.3693 9.3693 9.3733 9.3733 9.5243 9.5243 9.5274 9.5274 10.0250 10.0250 10.0258 10.0258 11.1845 11.1845 11.1866 11.1866 12.6202 12.6202 12.6365 12.6365 k = 0.0227-0.0000 0.3128 ( 3502 PWs) bands (ev): -5.1172 -5.1172 -5.1171 -5.1171 -1.9873 -1.9873 -1.9869 -1.9869 3.8770 3.8770 3.8781 3.8781 5.6898 5.6898 5.6916 5.6916 6.8594 6.8594 6.8596 6.8596 7.1012 7.1012 7.1155 7.1155 7.8609 7.8609 7.8912 7.8912 9.3707 9.3707 9.3781 9.3781 9.5235 9.5235 9.5301 9.5301 10.0294 10.0294 10.0307 10.0307 11.1907 11.1907 11.1948 11.1948 12.6057 12.6057 12.6385 12.6385 k = 0.0341-0.0000 0.3128 ( 3498 PWs) bands (ev): -5.1130 -5.1130 -5.1129 -5.1129 -1.9874 -1.9874 -1.9869 -1.9869 3.8816 3.8816 3.8832 3.8832 5.6894 5.6894 5.6921 5.6921 6.8442 6.8442 6.8444 6.8444 7.0799 7.0799 7.0998 7.0998 7.8531 7.8531 7.8963 7.8963 9.3734 9.3734 9.3829 9.3829 9.5238 9.5238 9.5344 9.5344 10.0367 10.0367 10.0388 10.0388 11.2015 11.2015 11.2077 11.2077 12.5866 12.5866 12.6361 12.6361 k = 0.0455-0.0000 0.3128 ( 3504 PWs) bands (ev): -5.1071 -5.1071 -5.1070 -5.1070 -1.9876 -1.9876 -1.9869 -1.9869 3.8880 3.8880 3.8903 3.8903 5.6887 5.6887 5.6924 5.6924 6.8223 6.8223 6.8225 6.8225 7.0534 7.0534 7.0775 7.0775 7.8470 7.8470 7.9009 7.9009 9.3756 9.3756 9.3858 9.3858 9.5256 9.5256 9.5410 9.5410 10.0467 10.0467 10.0495 10.0495 11.2171 11.2171 11.2254 11.2254 12.5621 12.5621 12.6285 12.6285 k = 0.0568-0.0000 0.3128 ( 3506 PWs) bands (ev): -5.0996 -5.0996 -5.0995 -5.0995 -1.9879 -1.9879 -1.9870 -1.9870 3.8964 3.8964 3.8993 3.8993 5.6875 5.6875 5.6921 5.6921 6.7935 6.7935 6.7936 6.7936 7.0234 7.0234 7.0500 7.0500 7.8432 7.8432 7.9053 7.9053 9.3757 9.3757 9.3854 9.3854 9.5296 9.5296 9.5501 9.5501 10.0592 10.0592 10.0628 10.0628 11.2374 11.2374 11.2479 11.2479 12.5318 12.5318 12.6144 12.6144 k = 0.0682-0.0000 0.3128 ( 3506 PWs) bands (ev): -5.0904 -5.0904 -5.0903 -5.0903 -1.9882 -1.9882 -1.9872 -1.9872 3.9065 3.9065 3.9101 3.9101 5.6851 5.6851 5.6908 5.6908 6.7572 6.7572 6.7577 6.7577 6.9916 6.9916 7.0193 7.0193 7.8422 7.8422 7.9101 7.9101 9.3725 9.3725 9.3810 9.3810 9.5358 9.5358 9.5612 9.5612 10.0738 10.0738 10.0782 10.0782 11.2622 11.2622 11.2748 11.2748 12.4952 12.4952 12.5919 12.5919 k = 0.0795-0.0000 0.3128 ( 3490 PWs) bands (ev): -5.0796 -5.0796 -5.0796 -5.0796 -1.9886 -1.9886 -1.9874 -1.9874 3.9185 3.9185 3.9228 3.9228 5.6812 5.6812 5.6879 5.6879 6.7138 6.7138 6.7152 6.7152 6.9596 6.9596 6.9873 6.9873 7.8439 7.8439 7.9156 7.9156 9.3655 9.3655 9.3728 9.3728 9.5436 9.5436 9.5732 9.5732 10.0902 10.0902 10.0954 10.0954 11.2914 11.2914 11.3061 11.3061 12.4520 12.4520 12.5590 12.5590 k = 0.0909-0.0000 0.3128 ( 3486 PWs) bands (ev): -5.0673 -5.0673 -5.0672 -5.0672 -1.9891 -1.9891 -1.9878 -1.9878 3.9321 3.9321 3.9373 3.9373 5.6748 5.6748 5.6826 5.6826 6.6644 6.6644 6.6671 6.6671 6.9281 6.9281 6.9555 6.9555 7.8480 7.8480 7.9219 7.9219 9.3549 9.3549 9.3611 9.3611 9.5518 9.5518 9.5848 9.5848 10.1076 10.1076 10.1135 10.1135 11.3246 11.3246 11.3413 11.3413 12.4023 12.4023 12.5144 12.5144 k = 0.1023-0.0000 0.3128 ( 3482 PWs) bands (ev): -5.0534 -5.0534 -5.0533 -5.0533 -1.9898 -1.9898 -1.9883 -1.9883 3.9473 3.9473 3.9536 3.9536 5.6650 5.6650 5.6738 5.6738 6.6108 6.6108 6.6155 6.6155 6.8979 6.8979 6.9246 6.9246 7.8540 7.8540 7.9289 7.9289 9.3413 9.3413 9.3467 9.3467 9.5593 9.5593 9.5948 9.5948 10.1255 10.1255 10.1321 10.1321 11.3613 11.3613 11.3798 11.3798 12.3469 12.3469 12.4588 12.4588 k = 0.1136-0.0000 0.3128 ( 3482 PWs) bands (ev): -5.0380 -5.0380 -5.0379 -5.0379 -1.9906 -1.9906 -1.9889 -1.9889 3.9641 3.9641 3.9715 3.9715 5.6507 5.6507 5.6602 5.6602 6.5557 6.5557 6.5629 6.5629 6.8688 6.8688 6.8949 6.8949 7.8615 7.8615 7.9365 7.9365 9.3252 9.3252 9.3298 9.3298 9.5652 9.5652 9.6027 9.6027 10.1434 10.1434 10.1506 10.1506 11.4008 11.4008 11.4207 11.4207 12.2870 12.2870 12.3948 12.3948 k = 0.1250-0.0000 0.3128 ( 3484 PWs) bands (ev): -5.0211 -5.0211 -5.0210 -5.0210 -1.9916 -1.9916 -1.9898 -1.9898 3.9822 3.9822 3.9909 3.9909 5.6305 5.6305 5.6405 5.6405 6.5021 6.5021 6.5121 6.5121 6.8408 6.8408 6.8665 6.8665 7.8698 7.8698 7.9442 7.9442 9.3071 9.3071 9.3111 9.3111 9.5691 9.5691 9.6079 9.6079 10.1606 10.1606 10.1681 10.1681 11.4421 11.4421 11.4628 11.4628 12.2246 12.2246 12.3255 12.3255 k = 0.1364-0.0000 0.3128 ( 3488 PWs) bands (ev): -5.0027 -5.0027 -5.0027 -5.0027 -1.9928 -1.9928 -1.9909 -1.9909 4.0015 4.0015 4.0118 4.0118 5.6033 5.6033 5.6132 5.6132 6.4530 6.4530 6.4658 6.4658 6.8138 6.8138 6.8391 6.8391 7.8785 7.8785 7.9520 7.9520 9.2873 9.2873 9.2908 9.2908 9.5705 9.5705 9.6102 9.6102 10.1768 10.1768 10.1844 10.1844 11.4836 11.4836 11.5042 11.5042 12.1621 12.1621 12.2546 12.2546 k = 0.1477-0.0000 0.3128 ( 3488 PWs) bands (ev): -4.9830 -4.9830 -4.9829 -4.9829 -1.9943 -1.9943 -1.9922 -1.9922 4.0219 4.0219 4.0339 4.0339 5.5682 5.5682 5.5772 5.5772 6.4109 6.4109 6.4260 6.4260 6.7876 6.7876 6.8127 6.8127 7.8872 7.8872 7.9594 7.9594 9.2660 9.2660 9.2690 9.2690 9.5693 9.5693 9.6097 9.6097 10.1913 10.1913 10.1990 10.1990 11.5231 11.5231 11.5420 11.5420 12.1033 12.1033 12.1859 12.1859 k = 0.1591-0.0000 0.3128 ( 3488 PWs) bands (ev): -4.9620 -4.9620 -4.9619 -4.9619 -1.9960 -1.9960 -1.9938 -1.9938 4.0430 4.0430 4.0572 4.0572 5.5248 5.5248 5.5319 5.5319 6.3775 6.3775 6.3944 6.3944 6.7623 6.7623 6.7873 6.7873 7.8954 7.8954 7.9662 7.9662 9.2436 9.2436 9.2462 9.2462 9.5654 9.5654 9.6063 9.6063 10.2040 10.2040 10.2114 10.2114 11.5570 11.5570 11.5717 11.5717 12.0532 12.0532 12.1239 12.1239 k = 0.1705-0.0000 0.3128 ( 3482 PWs) bands (ev): -4.9396 -4.9396 -4.9396 -4.9396 -1.9981 -1.9981 -1.9958 -1.9958 4.0647 4.0647 4.0814 4.0814 5.4735 5.4735 5.4778 5.4778 6.3534 6.3534 6.3715 6.3715 6.7379 6.7379 6.7626 6.7626 7.9029 7.9029 7.9720 7.9720 9.2202 9.2202 9.2223 9.2223 9.5591 9.5591 9.6003 9.6003 10.2147 10.2147 10.2215 10.2215 11.5801 11.5801 11.5866 11.5866 12.0190 12.0190 12.0748 12.0748 k = 0.1818-0.0000 0.3128 ( 3482 PWs) bands (ev): -4.9161 -4.9161 -4.9161 -4.9161 -2.0005 -2.0005 -1.9981 -1.9981 4.0865 4.0865 4.1061 4.1061 5.4156 5.4156 5.4161 5.4161 6.3384 6.3384 6.3572 6.3572 6.7143 6.7143 6.7387 6.7387 7.9092 7.9092 7.9766 7.9766 9.1958 9.1958 9.1975 9.1975 9.5502 9.5502 9.5917 9.5917 10.2230 10.2230 10.2290 10.2290 11.5807 11.5807 11.5860 11.5860 12.0069 12.0069 12.0453 12.0453 k = 0.1932-0.0000 0.3128 ( 3486 PWs) bands (ev): -4.8915 -4.8915 -4.8914 -4.8914 -2.0033 -2.0033 -2.0008 -2.0008 4.1080 4.1080 4.1311 4.1311 5.3485 5.3485 5.3528 5.3528 6.3317 6.3317 6.3506 6.3506 6.6916 6.6916 6.7157 6.7157 7.9141 7.9141 7.9797 7.9797 9.1706 9.1706 9.1719 9.1719 9.5391 9.5391 9.5806 9.5806 10.2288 10.2288 10.2338 10.2338 11.5533 11.5533 11.5706 11.5706 12.0182 12.0182 12.0399 12.0399 k = 0.2045-0.0000 0.3128 ( 3476 PWs) bands (ev): -4.8658 -4.8658 -4.8657 -4.8657 -2.0065 -2.0065 -2.0039 -2.0039 4.1285 4.1285 4.1557 4.1557 5.2773 5.2773 5.2871 5.2871 6.3320 6.3320 6.3509 6.3509 6.6699 6.6699 6.6936 6.6936 7.9175 7.9175 7.9811 7.9811 9.1448 9.1448 9.1456 9.1456 9.5258 9.5258 9.5674 9.5674 10.2323 10.2323 10.2360 10.2360 11.5099 11.5099 11.5360 11.5360 12.0474 12.0474 12.0568 12.0568 k = 0.2159-0.0000 0.3128 ( 3480 PWs) bands (ev): -4.8392 -4.8392 -4.8391 -4.8391 -2.0102 -2.0102 -2.0074 -2.0074 4.1473 4.1473 4.1794 4.1794 5.2046 5.2046 5.2208 5.2208 6.3379 6.3379 6.3566 6.3566 6.6494 6.6494 6.6723 6.6723 7.9191 7.9191 7.9807 7.9807 9.1184 9.1184 9.1188 9.1188 9.5105 9.5105 9.5521 9.5521 10.2332 10.2332 10.2354 10.2354 11.4574 11.4574 11.4885 11.4885 12.0877 12.0877 12.0895 12.0895 k = 0.2273-0.0000 0.3128 ( 3478 PWs) bands (ev): -4.8117 -4.8117 -4.8116 -4.8116 -2.0143 -2.0143 -2.0114 -2.0114 4.1634 4.1634 4.2011 4.2011 5.1327 5.1327 5.1561 5.1561 6.3485 6.3485 6.3667 6.3667 6.6301 6.6301 6.6519 6.6519 7.9189 7.9189 7.9782 7.9782 9.0914 9.0914 9.0915 9.0915 9.4934 9.4934 9.5350 9.5350 10.2315 10.2315 10.2322 10.2322 11.4008 11.4008 11.4345 11.4345 12.1320 12.1320 12.1339 12.1339 k = 0.2386-0.0000 0.3128 ( 3484 PWs) bands (ev): -4.7834 -4.7834 -4.7833 -4.7833 -2.0189 -2.0189 -2.0160 -2.0160 4.1755 4.1755 4.2197 4.2197 5.0642 5.0642 5.0953 5.0953 6.3625 6.3625 6.3801 6.3801 6.6123 6.6123 6.6326 6.6326 7.9167 7.9167 7.9737 7.9737 9.0638 9.0638 9.0640 9.0640 9.4746 9.4746 9.5161 9.5161 10.2262 10.2262 10.2274 10.2274 11.3432 11.3432 11.3780 11.3780 12.1799 12.1799 12.1828 12.1828 k = 0.2500-0.0000 0.3128 ( 3472 PWs) bands (ev): -4.7545 -4.7545 -4.7544 -4.7544 -2.0240 -2.0240 -2.0210 -2.0210 4.1822 4.1822 4.2335 4.2335 5.0014 5.0014 5.0408 5.0408 6.3791 6.3791 6.3959 6.3959 6.5963 6.5963 6.6144 6.6144 7.9127 7.9127 7.9671 7.9671 9.0358 9.0358 9.0363 9.0363 9.4545 9.4545 9.4959 9.4959 10.2178 10.2178 10.2209 10.2209 11.2866 11.2866 11.3218 11.3218 12.2304 12.2304 12.2319 12.2319 k = 0.2614-0.0000 0.3128 ( 3472 PWs) bands (ev): -4.7251 -4.7251 -4.7250 -4.7250 -2.0296 -2.0296 -2.0265 -2.0265 4.1821 4.1821 4.2404 4.2404 4.9473 4.9473 4.9948 4.9948 6.3974 6.3974 6.4127 6.4127 6.5824 6.5824 6.5974 6.5974 7.9069 7.9069 7.9583 7.9583 9.0077 9.0077 9.0084 9.0084 9.4330 9.4330 9.4743 9.4743 10.2069 10.2069 10.2120 10.2120 11.2321 11.2321 11.2674 11.2674 12.2792 12.2792 12.2811 12.2811 k = 0.2727-0.0000 0.3128 ( 3468 PWs) bands (ev): -4.6952 -4.6952 -4.6951 -4.6951 -2.0357 -2.0357 -2.0326 -2.0326 4.1738 4.1738 4.2385 4.2385 4.9043 4.9043 4.9590 4.9590 6.4165 6.4165 6.4293 6.4293 6.5715 6.5715 6.5819 6.5819 7.8994 7.8994 7.9476 7.9476 8.9796 8.9796 8.9803 8.9803 9.4105 9.4105 9.4516 9.4516 10.1937 10.1937 10.2008 10.2008 11.1803 11.1803 11.2157 11.2157 12.3226 12.3226 12.3303 12.3303 k = 0.2841-0.0000 0.3128 ( 3470 PWs) bands (ev): -4.6651 -4.6651 -4.6650 -4.6650 -2.0422 -2.0422 -2.0391 -2.0391 4.1566 4.1566 4.2260 4.2260 4.8747 4.8747 4.9347 4.9347 6.4355 6.4355 6.4440 6.4440 6.5648 6.5648 6.5683 6.5683 7.8904 7.8904 7.9350 7.9350 8.9514 8.9514 8.9522 8.9522 9.3869 9.3869 9.4278 9.4278 10.1785 10.1785 10.1876 10.1876 11.1317 11.1317 11.1672 11.1672 12.3596 12.3596 12.3752 12.3752 k = 0.2955-0.0000 0.3128 ( 3468 PWs) bands (ev): -4.6349 -4.6349 -4.6347 -4.6347 -2.0493 -2.0493 -2.0461 -2.0461 4.1307 4.1307 4.2025 4.2025 4.8592 4.8592 4.9221 4.9221 6.4530 6.4530 6.4548 6.4548 6.5572 6.5572 6.5636 6.5636 7.8803 7.8803 7.9209 7.9209 8.9234 8.9234 8.9241 8.9241 9.3627 9.3627 9.4033 9.4033 10.1614 10.1614 10.1725 10.1725 11.0866 11.0866 11.1222 11.1222 12.3881 12.3881 12.4122 12.4122 k = 0.3068-0.0000 0.3128 ( 3472 PWs) bands (ev): -4.6047 -4.6047 -4.6045 -4.6045 -2.0568 -2.0568 -2.0536 -2.0536 4.0972 4.0972 4.1692 4.1692 4.8569 4.8569 4.9201 4.9201 6.4604 6.4604 6.4670 6.4670 6.5503 6.5503 6.5690 6.5690 7.8693 7.8693 7.9055 7.9055 8.8956 8.8956 8.8962 8.8962 9.3378 9.3378 9.3782 9.3782 10.1429 10.1429 10.1558 10.1558 11.0449 11.0449 11.0809 11.0809 12.4068 12.4068 12.4374 12.4374 k = 0.3182-0.0000 0.3128 ( 3476 PWs) bands (ev): -4.5747 -4.5747 -4.5745 -4.5745 -2.0647 -2.0647 -2.0615 -2.0615 4.0577 4.0577 4.1282 4.1282 4.8658 4.8658 4.9274 4.9274 6.4611 6.4611 6.4750 6.4750 6.5496 6.5496 6.5798 6.5798 7.8579 7.8579 7.8892 7.8892 8.8682 8.8682 8.8686 8.8686 9.3126 9.3126 9.3527 9.3527 10.1230 10.1230 10.1376 10.1376 11.0067 11.0067 11.0431 11.0431 12.4164 12.4164 12.4496 12.4496 k = 0.3295-0.0000 0.3128 ( 3476 PWs) bands (ev): -4.5451 -4.5451 -4.5448 -4.5448 -2.0729 -2.0729 -2.0697 -2.0697 4.0143 4.0143 4.0822 4.0822 4.8833 4.8833 4.9422 4.9422 6.4589 6.4589 6.4758 6.4758 6.5557 6.5557 6.5939 6.5939 7.8466 7.8466 7.8725 7.8725 8.8412 8.8412 8.8413 8.8413 9.2871 9.2871 9.3270 9.3270 10.1023 10.1023 10.1184 10.1184 10.9720 10.9720 11.0089 11.0089 12.4190 12.4190 12.4521 12.4521 k = 0.3409-0.0000 0.3128 ( 3472 PWs) bands (ev): -4.5160 -4.5160 -4.5157 -4.5157 -2.0814 -2.0814 -2.0782 -2.0782 3.9686 3.9686 4.0336 4.0336 4.9072 4.9072 4.9626 4.9626 6.4555 6.4555 6.4716 6.4716 6.5659 6.5659 6.6089 6.6089 7.8357 7.8357 7.8559 7.8559 8.8146 8.8146 8.8147 8.8147 9.2617 9.2617 9.3013 9.3013 10.0810 10.0810 10.0984 10.0984 10.9406 10.9406 10.9780 10.9780 12.4171 12.4171 12.4491 12.4491 k = 0.3523-0.0000 0.3128 ( 3468 PWs) bands (ev): -4.4876 -4.4876 -4.4873 -4.4873 -2.0901 -2.0901 -2.0868 -2.0868 3.9221 3.9221 3.9841 3.9841 4.9355 4.9355 4.9871 4.9871 6.4519 6.4519 6.4650 6.4650 6.5773 6.5773 6.6234 6.6234 7.8259 7.8259 7.8398 7.8398 8.7885 8.7885 8.7887 8.7887 9.2365 9.2365 9.2758 9.2758 10.0595 10.0595 10.0780 10.0780 10.9124 10.9124 10.9504 10.9504 12.4125 12.4125 12.4434 12.4434 k = 0.3636-0.0000 0.3128 ( 3472 PWs) bands (ev): -4.4603 -4.4603 -4.4599 -4.4599 -2.0988 -2.0988 -2.0956 -2.0956 3.8761 3.8761 3.9353 3.9353 4.9667 4.9667 5.0144 5.0144 6.4489 6.4489 6.4576 6.4576 6.5879 6.5879 6.6362 6.6362 7.8174 7.8174 7.8249 7.8249 8.7630 8.7630 8.7634 8.7634 9.2116 9.2116 9.2506 9.2506 10.0380 10.0380 10.0574 10.0574 10.8872 10.8872 10.9257 10.9257 12.4064 12.4064 12.4365 12.4365 k = 0.3750-0.0000 0.3128 ( 3468 PWs) bands (ev): -4.4340 -4.4340 -4.4336 -4.4336 -2.1076 -2.1076 -2.1044 -2.1044 3.8316 3.8316 3.8882 3.8882 4.9996 4.9996 5.0434 5.0434 6.4469 6.4469 6.4501 6.4501 6.5968 6.5968 6.6465 6.6465 7.8107 7.8107 7.8115 7.8115 8.7384 8.7384 8.7390 8.7390 9.1874 9.1874 9.2261 9.2261 10.0171 10.0171 10.0371 10.0371 10.8648 10.8648 10.9039 10.9039 12.3997 12.3997 12.4292 12.4292 k = 0.3864-0.0000 0.3128 ( 3472 PWs) bands (ev): -4.4091 -4.4091 -4.4086 -4.4086 -2.1162 -2.1162 -2.1130 -2.1130 3.7893 3.7893 3.8436 3.8436 5.0332 5.0332 5.0732 5.0732 6.4429 6.4429 6.4460 6.4460 6.6034 6.6034 6.6539 6.6539 7.8002 7.8002 7.8060 7.8060 8.7148 8.7148 8.7155 8.7155 9.1640 9.1640 9.2023 9.2023 9.9968 9.9968 10.0173 10.0173 10.8450 10.8450 10.8846 10.8846 12.3929 12.3929 12.4220 12.4220 k = 0.3977-0.0000 0.3128 ( 3460 PWs) bands (ev): -4.3857 -4.3857 -4.3853 -4.3853 -2.1246 -2.1246 -2.1214 -2.1214 3.7498 3.7498 3.8020 3.8020 5.0667 5.0667 5.1028 5.1028 6.4361 6.4361 6.4465 6.4465 6.6077 6.6077 6.6581 6.6581 7.7911 7.7911 7.8034 7.8034 8.6924 8.6924 8.6931 8.6931 9.1417 9.1417 9.1798 9.1798 9.9776 9.9776 9.9984 9.9984 10.8277 10.8277 10.8678 10.8678 12.3862 12.3862 12.4151 12.4151 k = 0.4091-0.0000 0.3128 ( 3468 PWs) bands (ev): -4.3642 -4.3642 -4.3637 -4.3637 -2.1326 -2.1326 -2.1294 -2.1294 3.7135 3.7135 3.7640 3.7640 5.0991 5.0991 5.1315 5.1315 6.4298 6.4298 6.4483 6.4483 6.6097 6.6097 6.6589 6.6589 7.7843 7.7843 7.8029 7.8029 8.6712 8.6712 8.6719 8.6719 9.1207 9.1207 9.1585 9.1585 9.9596 9.9596 9.9806 9.9806 10.8127 10.8127 10.8531 10.8531 12.3800 12.3800 12.4087 12.4087 k = 0.4205-0.0000 0.3128 ( 3482 PWs) bands (ev): -4.3445 -4.3445 -4.3440 -4.3440 -2.1400 -2.1400 -2.1369 -2.1369 3.6809 3.6809 3.7299 3.7299 5.1300 5.1300 5.1588 5.1588 6.4239 6.4239 6.4515 6.4515 6.6098 6.6098 6.6566 6.6566 7.7799 7.7799 7.8043 7.8043 8.6515 8.6515 8.6521 8.6521 9.1013 9.1013 9.1388 9.1388 9.9431 9.9431 9.9641 9.9641 10.7998 10.7998 10.8406 10.8406 12.3744 12.3744 12.4030 12.4030 k = 0.4318-0.0000 0.3128 ( 3484 PWs) bands (ev): -4.3271 -4.3271 -4.3265 -4.3265 -2.1468 -2.1468 -2.1437 -2.1437 3.6521 3.6521 3.6998 3.6998 5.1584 5.1584 5.1838 5.1838 6.4187 6.4187 6.4561 6.4561 6.6082 6.6082 6.6514 6.6514 7.7775 7.7775 7.8071 7.8071 8.6336 8.6336 8.6341 8.6341 9.0839 9.0839 9.1211 9.1211 9.9284 9.9284 9.9494 9.9494 10.7889 10.7889 10.8300 10.8300 12.3694 12.3694 12.3979 12.3979 k = 0.4432-0.0000 0.3128 ( 3488 PWs) bands (ev): -4.3120 -4.3120 -4.3114 -4.3114 -2.1528 -2.1528 -2.1498 -2.1498 3.6275 3.6275 3.6742 3.6742 5.1839 5.1839 5.2061 5.2061 6.4141 6.4141 6.4619 6.4619 6.6056 6.6056 6.6439 6.6439 7.7768 7.7768 7.8109 7.8109 8.6178 8.6178 8.6181 8.6181 9.0686 9.0686 9.1055 9.1055 9.9156 9.9156 9.9365 9.9365 10.7799 10.7799 10.8213 10.8213 12.3651 12.3651 12.3936 12.3936 k = 0.4545-0.0000 0.3128 ( 3488 PWs) bands (ev): -4.2994 -4.2994 -4.2988 -4.2988 -2.1579 -2.1579 -2.1549 -2.1549 3.6071 3.6071 3.6530 3.6530 5.2058 5.2058 5.2252 5.2252 6.4102 6.4102 6.4685 6.4685 6.6025 6.6025 6.6350 6.6350 7.7772 7.7772 7.8151 7.8151 8.6043 8.6043 8.6044 8.6044 9.0556 9.0556 9.0923 9.0923 9.9050 9.9050 9.9257 9.9257 10.7727 10.7727 10.8143 10.8143 12.3616 12.3616 12.3901 12.3901 k = 0.4659-0.0000 0.3128 ( 3488 PWs) bands (ev): -4.2894 -4.2894 -4.2888 -4.2888 -2.1620 -2.1620 -2.1590 -2.1590 3.5911 3.5911 3.6363 3.6363 5.2235 5.2235 5.2405 5.2405 6.4070 6.4070 6.4753 6.4753 6.5994 6.5994 6.6257 6.6257 7.7783 7.7783 7.8191 7.8191 8.5934 8.5934 8.5935 8.5935 9.0454 9.0454 9.0819 9.0819 9.8965 9.8965 9.9172 9.9172 10.7672 10.7672 10.8089 10.8089 12.3588 12.3588 12.3873 12.3873 k = 0.4773-0.0000 0.3128 ( 3488 PWs) bands (ev): -4.2822 -4.2822 -4.2816 -4.2816 -2.1650 -2.1650 -2.1620 -2.1620 3.5796 3.5796 3.6244 3.6244 5.2366 5.2366 5.2517 5.2517 6.4046 6.4046 6.4816 6.4816 6.5968 6.5968 6.6173 6.6173 7.7795 7.7795 7.8225 7.8225 8.5852 8.5852 8.5855 8.5855 9.0378 9.0378 9.0742 9.0742 9.8905 9.8905 9.9110 9.9110 10.7633 10.7633 10.8052 10.8052 12.3569 12.3569 12.3854 12.3854 k = 0.4886-0.0000 0.3128 ( 3488 PWs) bands (ev): -4.2779 -4.2779 -4.2772 -4.2772 -2.1668 -2.1668 -2.1638 -2.1638 3.5727 3.5727 3.6173 3.6173 5.2445 5.2445 5.2586 5.2586 6.4032 6.4032 6.4862 6.4862 6.5951 6.5951 6.6113 6.6113 7.7805 7.7805 7.8247 7.8247 8.5802 8.5802 8.5806 8.5806 9.0333 9.0333 9.0696 9.0696 9.8868 9.8868 9.9072 9.9072 10.7610 10.7610 10.8029 10.8029 12.3557 12.3557 12.3842 12.3842 k = 0.5000-0.0000 0.3128 ( 3488 PWs) bands (ev): -4.2764 -4.2764 -4.2757 -4.2757 -2.1674 -2.1674 -2.1644 -2.1644 3.5704 3.5704 3.6149 3.6149 5.2472 5.2472 5.2609 5.2609 6.4027 6.4027 6.4879 6.4879 6.5945 6.5945 6.6091 6.6091 7.7808 7.7808 7.8255 7.8255 8.5785 8.5785 8.5789 8.5789 9.0317 9.0317 9.0680 9.0680 9.8856 9.8856 9.9060 9.9060 10.7602 10.7602 10.8022 10.8022 12.3553 12.3553 12.3838 12.3838 k = 0.5000-0.0000 0.3128 ( 3488 PWs) bands (ev): -4.2764 -4.2764 -4.2757 -4.2757 -2.1674 -2.1674 -2.1644 -2.1644 3.5704 3.5704 3.6149 3.6149 5.2472 5.2472 5.2609 5.2609 6.4027 6.4027 6.4879 6.4879 6.5945 6.5945 6.6091 6.6091 7.7808 7.7808 7.8255 7.8255 8.5785 8.5785 8.5789 8.5789 9.0317 9.0317 9.0680 9.0680 9.8856 9.8856 9.9060 9.9060 10.7602 10.7602 10.8022 10.8022 12.3553 12.3553 12.3838 12.3838 k = 0.5000 0.0113 0.3128 ( 3492 PWs) bands (ev): -4.2757 -4.2757 -4.2751 -4.2751 -2.1681 -2.1681 -2.1651 -2.1651 3.5674 3.5674 3.6115 3.6115 5.2531 5.2531 5.2659 5.2659 6.3772 6.3772 6.4533 6.4533 6.6156 6.6156 6.6398 6.6398 7.7803 7.7803 7.8248 7.8248 8.5823 8.5823 8.5825 8.5825 9.0326 9.0326 9.0689 9.0689 9.8856 9.8856 9.9060 9.9060 10.7614 10.7614 10.8033 10.8033 12.3575 12.3575 12.3860 12.3860 k = 0.5000 0.0226 0.3128 ( 3492 PWs) bands (ev): -4.2738 -4.2738 -4.2732 -4.2732 -2.1702 -2.1702 -2.1673 -2.1673 3.5586 3.5586 3.6017 3.6017 5.2706 5.2706 5.2808 5.2808 6.3192 6.3192 6.3873 6.3873 6.6605 6.6605 6.6945 6.6945 7.7789 7.7789 7.8227 7.8227 8.5932 8.5932 8.5934 8.5934 9.0351 9.0351 9.0715 9.0715 9.8858 9.8858 9.9060 9.9060 10.7651 10.7651 10.8067 10.8067 12.3640 12.3640 12.3929 12.3929 k = 0.5000 0.0339 0.3128 ( 3492 PWs) bands (ev): -4.2706 -4.2706 -4.2699 -4.2699 -2.1738 -2.1738 -2.1708 -2.1708 3.5443 3.5443 3.5860 3.5860 5.2990 5.2990 5.3047 5.3047 6.2473 6.2473 6.3126 6.3126 6.7108 6.7108 6.7507 6.7507 7.7768 7.7768 7.8197 7.8197 8.6104 8.6104 8.6112 8.6112 9.0393 9.0393 9.0760 9.0760 9.8860 9.8860 9.9061 9.9061 10.7712 10.7712 10.8123 10.8123 12.3749 12.3749 12.4042 12.4042 k = 0.5000 0.0452 0.3128 ( 3488 PWs) bands (ev): -4.2661 -4.2661 -4.2654 -4.2654 -2.1787 -2.1787 -2.1758 -2.1758 3.5255 3.5255 3.5653 3.5653 5.3363 5.3363 5.3371 5.3371 6.1686 6.1686 6.2345 6.2345 6.7600 6.7600 6.8041 6.8041 7.7743 7.7743 7.8160 7.8160 8.6334 8.6334 8.6349 8.6349 9.0454 9.0454 9.0824 9.0824 9.8864 9.8864 9.9062 9.9062 10.7797 10.7797 10.8203 10.8203 12.3900 12.3900 12.4199 12.4199 k = 0.5000 0.0565 0.3128 ( 3492 PWs) bands (ev): -4.2603 -4.2603 -4.2597 -4.2597 -2.1850 -2.1850 -2.1822 -2.1822 3.5028 3.5028 3.5406 3.5406 5.3736 5.3736 5.3836 5.3836 6.0860 6.0860 6.1556 6.1556 6.8062 6.8062 6.8535 6.8535 7.7720 7.7720 7.8122 7.8122 8.6612 8.6612 8.6634 8.6634 9.0532 9.0532 9.0906 9.0906 9.8869 9.8869 9.9063 9.9063 10.7907 10.7907 10.8305 10.8305 12.4091 12.4091 12.4398 12.4398 k = 0.5000 0.0678 0.3128 ( 3488 PWs) bands (ev): -4.2534 -4.2534 -4.2527 -4.2527 -2.1927 -2.1927 -2.1899 -2.1899 3.4775 3.4775 3.5129 3.5129 5.4135 5.4135 5.4361 5.4361 6.0016 6.0016 6.0787 6.0787 6.8484 6.8484 6.8988 6.8988 7.7701 7.7701 7.8087 7.8087 8.6927 8.6927 8.6955 8.6955 9.0631 9.0631 9.1010 9.1010 9.8875 9.8875 9.9065 9.9065 10.8042 10.8042 10.8430 10.8430 12.4319 12.4319 12.4636 12.4636 k = 0.5000 0.0791 0.3128 ( 3484 PWs) bands (ev): -4.2452 -4.2452 -4.2446 -4.2446 -2.2017 -2.2017 -2.1990 -2.1990 3.4502 3.4502 3.4833 3.4833 5.4512 5.4512 5.4914 5.4914 5.9187 5.9187 6.0082 6.0082 6.8865 6.8865 6.9396 6.9396 7.7690 7.7690 7.8060 7.8060 8.7266 8.7266 8.7299 8.7299 9.0751 9.0751 9.1136 9.1136 9.8881 9.8881 9.9067 9.9067 10.8202 10.8202 10.8578 10.8578 12.4580 12.4580 12.4911 12.4911 k = 0.5000 0.0904 0.3128 ( 3484 PWs) bands (ev): -4.2359 -4.2359 -4.2352 -4.2352 -2.2121 -2.2121 -2.2094 -2.2094 3.4221 3.4221 3.4528 3.4528 5.4783 5.4783 5.5416 5.5416 5.8445 5.8445 5.9518 5.9518 6.9204 6.9204 6.9762 6.9762 7.7691 7.7691 7.8044 7.8044 8.7616 8.7616 8.7654 8.7654 9.0893 9.0893 9.1285 9.1285 9.8889 9.8889 9.9070 9.9070 10.8387 10.8387 10.8750 10.8750 12.4869 12.4869 12.5216 12.5216 k = 0.5000 0.1018 0.3128 ( 3484 PWs) bands (ev): -4.2254 -4.2254 -4.2248 -4.2248 -2.2237 -2.2237 -2.2211 -2.2211 3.3939 3.3939 3.4223 3.4223 5.4830 5.4830 5.5646 5.5646 5.8006 5.8006 5.9210 5.9210 6.9503 6.9503 7.0088 7.0088 7.7705 7.7705 7.8041 7.8041 8.7967 8.7967 8.8006 8.8006 9.1063 9.1063 9.1461 9.1461 9.8897 9.8897 9.9072 9.9072 10.8596 10.8596 10.8945 10.8945 12.5176 12.5176 12.5543 12.5543 k = 0.5000 0.1131 0.3128 ( 3488 PWs) bands (ev): -4.2139 -4.2139 -4.2133 -4.2133 -2.2366 -2.2366 -2.2341 -2.2341 3.3664 3.3664 3.3926 3.3926 5.4563 5.4563 5.5313 5.5313 5.8156 5.8156 5.9243 5.9243 6.9764 6.9764 7.0376 7.0376 7.7735 7.7735 7.8053 7.8053 8.8304 8.8304 8.8346 8.8346 9.1260 9.1260 9.1664 9.1664 9.8907 9.8907 9.9075 9.9075 10.8831 10.8831 10.9163 10.9163 12.5491 12.5491 12.5879 12.5879 k = 0.5000 0.1244 0.3128 ( 3484 PWs) bands (ev): -4.2013 -4.2013 -4.2007 -4.2007 -2.2506 -2.2506 -2.2482 -2.2482 3.3401 3.3401 3.3642 3.3642 5.4012 5.4012 5.4581 5.4581 5.8728 5.8728 5.9578 5.9578 6.9989 6.9989 7.0629 7.0629 7.7780 7.7780 7.8080 7.8080 8.8620 8.8620 8.8663 8.8663 9.1489 9.1489 9.1896 9.1896 9.8917 9.8917 9.9078 9.9078 10.9092 10.9092 10.9406 10.9406 12.5795 12.5795 12.6199 12.6199 k = 0.5000 0.1357 0.3128 ( 3480 PWs) bands (ev): -4.1879 -4.1879 -4.1873 -4.1873 -2.2658 -2.2658 -2.2635 -2.2635 3.3158 3.3158 3.3379 3.3379 5.3280 5.3280 5.3701 5.3701 5.9464 5.9464 6.0112 6.0112 7.0183 7.0183 7.0851 7.0851 7.7841 7.7841 7.8122 7.8122 8.8905 8.8905 8.8951 8.8951 9.1749 9.1749 9.2156 9.2156 9.8928 9.8928 9.9082 9.9082 10.9378 10.9378 10.9672 10.9672 12.6054 12.6054 12.6445 12.6445 k = 0.5000 0.1470 0.3128 ( 3472 PWs) bands (ev): -4.1735 -4.1735 -4.1729 -4.1729 -2.2820 -2.2820 -2.2798 -2.2798 3.2937 3.2937 3.3140 3.3140 5.2447 5.2447 5.2767 5.2767 6.0269 6.0269 6.0759 6.0759 7.0348 7.0348 7.1047 7.1047 7.7917 7.7917 7.8178 7.8178 8.9155 8.9155 8.9206 8.9206 9.2038 9.2038 9.2443 9.2443 9.8939 9.8939 9.9086 9.9086 10.9689 10.9689 10.9963 10.9963 12.6214 12.6214 12.6493 12.6493 k = 0.5000 0.1583 0.3128 ( 3476 PWs) bands (ev): -4.1584 -4.1584 -4.1578 -4.1578 -2.2991 -2.2991 -2.2970 -2.2970 3.2743 3.2743 3.2929 3.2929 5.1559 5.1559 5.1811 5.1811 6.1107 6.1107 6.1466 6.1466 7.0488 7.0488 7.1219 7.1219 7.8006 7.8006 7.8248 7.8248 8.9368 8.9368 8.9425 8.9425 9.2352 9.2352 9.2751 9.2751 9.8951 9.8951 9.9091 9.9091 11.0024 11.0024 11.0276 11.0276 12.6200 12.6200 12.6258 12.6258 k = 0.5000 0.1696 0.3128 ( 3476 PWs) bands (ev): -4.1425 -4.1425 -4.1420 -4.1420 -2.3171 -2.3171 -2.3151 -2.3151 3.2580 3.2580 3.2750 3.2750 5.0643 5.0643 5.0847 5.0847 6.1958 6.1958 6.2203 6.2203 7.0606 7.0606 7.1374 7.1374 7.8108 7.8108 7.8329 7.8329 8.9544 8.9544 8.9610 8.9610 9.2688 9.2688 9.3078 9.3078 9.8964 9.8964 9.9095 9.9095 11.0382 11.0382 11.0612 11.0612 12.5837 12.5837 12.5982 12.5982 k = 0.5000 0.1809 0.3128 ( 3476 PWs) bands (ev): -4.1261 -4.1261 -4.1256 -4.1256 -2.3358 -2.3358 -2.3340 -2.3340 3.2451 3.2451 3.2605 3.2605 4.9714 4.9714 4.9882 4.9882 6.2810 6.2810 6.2952 6.2952 7.0708 7.0708 7.1514 7.1514 7.8221 7.8221 7.8420 7.8420 8.9687 8.9687 8.9761 8.9761 9.3038 9.3038 9.3417 9.3417 9.8977 9.8977 9.9100 9.9100 11.0764 11.0764 11.0970 11.0970 12.5336 12.5336 12.5607 12.5607 k = 0.5000 0.1922 0.3128 ( 3472 PWs) bands (ev): -4.1092 -4.1092 -4.1087 -4.1087 -2.3552 -2.3552 -2.3534 -2.3534 3.2356 3.2356 3.2497 3.2497 4.8782 4.8782 4.8923 4.8923 6.3656 6.3656 6.3695 6.3695 7.0797 7.0797 7.1645 7.1645 7.8342 7.8342 7.8520 7.8520 8.9799 8.9799 8.9882 8.9882 9.3397 9.3397 9.3764 9.3764 9.8991 9.8991 9.9105 9.9105 11.1166 11.1166 11.1349 11.1349 12.4800 12.4800 12.5143 12.5143 k = 0.5000 0.2035 0.3128 ( 3480 PWs) bands (ev): -4.0919 -4.0919 -4.0914 -4.0914 -2.3749 -2.3749 -2.3733 -2.3733 3.2299 3.2299 3.2427 3.2427 4.7853 4.7853 4.7973 4.7973 6.4423 6.4423 6.4484 6.4484 7.0877 7.0877 7.1772 7.1772 7.8471 7.8471 7.8625 7.8625 8.9881 8.9881 8.9973 8.9973 9.3762 9.3762 9.4114 9.4114 9.9005 9.9005 9.9110 9.9110 11.1588 11.1588 11.1747 11.1747 12.4249 12.4249 12.4635 12.4635 k = 0.5000 0.2148 0.3128 ( 3476 PWs) bands (ev): -4.0744 -4.0744 -4.0740 -4.0740 -2.3950 -2.3950 -2.3935 -2.3935 3.2281 3.2281 3.2396 3.2396 4.6932 4.6932 4.7036 4.7036 6.5124 6.5124 6.5287 6.5287 7.0953 7.0953 7.1898 7.1898 7.8604 7.8604 7.8736 7.8736 8.9938 8.9938 9.0037 9.0037 9.4129 9.4129 9.4465 9.4465 9.9019 9.9019 9.9116 9.9116 11.2026 11.2026 11.2162 11.2162 12.3699 12.3699 12.4110 12.4110 k = 0.5000 0.2261 0.3128 ( 3480 PWs) bands (ev): -4.0569 -4.0569 -4.0564 -4.0564 -2.4151 -2.4151 -2.4137 -2.4137 3.2302 3.2302 3.2406 3.2406 4.6022 4.6022 4.6113 4.6113 6.5790 6.5790 6.6055 6.6055 7.1032 7.1032 7.2029 7.2029 7.8741 7.8741 7.8850 7.8850 8.9969 8.9969 9.0076 9.0076 9.4492 9.4492 9.4812 9.4812 9.9034 9.9034 9.9122 9.9122 11.2477 11.2477 11.2591 11.2591 12.3159 12.3159 12.3585 12.3585 k = 0.5000 0.2374 0.3128 ( 3480 PWs) bands (ev): -4.0394 -4.0394 -4.0390 -4.0390 -2.4352 -2.4352 -2.4339 -2.4339 3.2364 3.2364 3.2457 3.2457 4.5128 4.5128 4.5207 4.5207 6.6410 6.6410 6.6778 6.6778 7.1119 7.1119 7.2167 7.2167 7.8879 7.8879 7.8966 7.8966 8.9979 8.9979 9.0092 9.0092 9.4852 9.4852 9.5153 9.5153 9.9048 9.9048 9.9128 9.9128 11.2937 11.2937 11.3030 11.3030 12.2639 12.2639 12.3074 12.3074 k = 0.5000 0.2487 0.3128 ( 3476 PWs) bands (ev): -4.0223 -4.0223 -4.0219 -4.0219 -2.4549 -2.4549 -2.4538 -2.4538 3.2468 3.2468 3.2551 3.2551 4.4251 4.4251 4.4320 4.4320 6.6979 6.6979 6.7442 6.7442 7.1225 7.1225 7.2316 7.2316 7.9018 7.9018 7.9083 7.9083 8.9969 8.9969 9.0086 9.0086 9.5204 9.5204 9.5486 9.5486 9.9064 9.9064 9.9134 9.9134 11.3399 11.3399 11.3471 11.3471 12.2152 12.2152 12.2591 12.2591 k = 0.5000 0.2600 0.3128 ( 3480 PWs) bands (ev): -4.0056 -4.0056 -4.0052 -4.0052 -2.4741 -2.4741 -2.4731 -2.4731 3.2612 3.2612 3.2686 3.2686 4.3394 4.3394 4.3455 4.3455 6.7489 6.7489 6.8032 6.8032 7.1358 7.1358 7.2477 7.2477 7.9155 7.9155 7.9199 7.9199 8.9941 8.9941 9.0062 9.0062 9.5545 9.5545 9.5807 9.5807 9.9078 9.9078 9.9140 9.9140 11.3854 11.3854 11.3908 11.3908 12.1709 12.1709 12.2150 12.2150 k = 0.5000 0.2713 0.3128 ( 3480 PWs) bands (ev): -3.9895 -3.9895 -3.9892 -3.9892 -2.4926 -2.4926 -2.4916 -2.4916 3.2798 3.2798 3.2863 3.2863 4.2559 4.2559 4.2612 4.2612 6.7936 6.7936 6.8534 6.8534 7.1532 7.1532 7.2651 7.2651 7.9290 7.9290 7.9314 7.9314 8.9899 8.9899 9.0021 9.0021 9.5873 9.5873 9.6114 9.6114 9.9093 9.9093 9.9146 9.9146 11.4290 11.4290 11.4330 11.4330 12.1327 12.1327 12.1767 12.1767 k = 0.5000 0.2826 0.3128 ( 3480 PWs) bands (ev): -3.9744 -3.9744 -3.9741 -3.9741 -2.5100 -2.5100 -2.5092 -2.5092 3.3026 3.3026 3.3082 3.3082 4.1747 4.1747 4.1793 4.1793 6.8321 6.8321 6.8936 6.8936 7.1751 7.1751 7.2832 7.2832 7.9419 7.9419 7.9425 7.9425 8.9846 8.9846 8.9967 8.9967 9.6184 9.6184 9.6402 9.6402 9.9108 9.9108 9.9152 9.9152 11.4694 11.4694 11.4721 11.4721 12.1022 12.1022 12.1459 12.1459 k = 0.5000 0.2940 0.3128 ( 3472 PWs) bands (ev): -3.9603 -3.9603 -3.9601 -3.9601 -2.5261 -2.5261 -2.5254 -2.5254 3.3294 3.3294 3.3342 3.3342 4.0961 4.0961 4.1000 4.1000 6.8644 6.8644 6.9238 6.9238 7.2014 7.2014 7.3015 7.3015 7.9533 7.9533 7.9541 7.9541 8.9787 8.9787 8.9904 8.9904 9.6474 9.6474 9.6669 9.6669 9.9123 9.9123 9.9159 9.9159 11.5050 11.5050 11.5066 11.5066 12.0814 12.0814 12.1248 12.1248 k = 0.5000 0.3053 0.3128 ( 3464 PWs) bands (ev): -3.9476 -3.9476 -3.9473 -3.9473 -2.5407 -2.5407 -2.5401 -2.5401 3.3604 3.3604 3.3644 3.3644 4.0202 4.0202 4.0235 4.0235 6.8912 6.8912 6.9449 6.9449 7.2305 7.2305 7.3192 7.3192 7.9634 7.9634 7.9653 7.9653 8.9725 8.9725 8.9834 8.9834 9.6739 9.6739 9.6909 9.6909 9.9137 9.9137 9.9166 9.9166 11.5340 11.5340 11.5348 11.5348 12.0721 12.0721 12.1148 12.1148 k = 0.5000 0.3166 0.3128 ( 3468 PWs) bands (ev): -3.9364 -3.9364 -3.9362 -3.9362 -2.5536 -2.5536 -2.5531 -2.5531 3.3953 3.3953 3.3987 3.3987 3.9471 3.9471 3.9498 3.9498 6.9128 6.9128 6.9588 6.9588 7.2602 7.2602 7.3352 7.3352 7.9727 7.9727 7.9754 7.9754 8.9664 8.9664 8.9763 8.9763 9.6975 9.6975 9.7119 9.7119 9.9150 9.9150 9.9173 9.9173 11.5554 11.5554 11.5556 11.5556 12.0753 12.0753 12.1168 12.1168 k = 0.5000 0.3279 0.3128 ( 3468 PWs) bands (ev): -3.9269 -3.9269 -3.9267 -3.9267 -2.5644 -2.5644 -2.5640 -2.5640 3.4343 3.4343 3.4369 3.4369 3.8769 3.8769 3.8791 3.8791 6.9303 6.9303 6.9673 6.9673 7.2883 7.2883 7.3485 7.3485 7.9810 7.9810 7.9839 7.9839 8.9609 8.9609 8.9694 8.9694 9.7178 9.7178 9.7295 9.7295 9.9163 9.9163 9.9179 9.9179 11.5690 11.5690 11.5693 11.5693 12.0906 12.0906 12.1302 12.1302 k = 0.5000 0.3392 0.3128 ( 3468 PWs) bands (ev): -3.9193 -3.9193 -3.9191 -3.9191 -2.5731 -2.5731 -2.5728 -2.5728 3.4771 3.4771 3.4790 3.4790 3.8099 3.8099 3.8115 3.8115 6.9441 6.9441 6.9718 6.9718 7.3133 7.3133 7.3583 7.3583 7.9880 7.9880 7.9907 7.9907 8.9564 8.9564 8.9632 8.9632 9.7343 9.7343 9.7432 9.7432 9.9174 9.9174 9.9185 9.9185 11.5765 11.5765 11.5770 11.5770 12.1156 12.1156 12.1520 12.1520 k = 0.5000 0.3505 0.3128 ( 3460 PWs) bands (ev): -3.9137 -3.9137 -3.9136 -3.9136 -2.5794 -2.5794 -2.5792 -2.5792 3.5236 3.5236 3.5250 3.5250 3.7462 3.7462 3.7472 3.7472 6.9548 6.9548 6.9732 6.9732 7.3339 7.3339 7.3638 7.3638 7.9934 7.9934 7.9955 7.9955 8.9534 8.9534 8.9581 8.9581 9.7467 9.7467 9.7528 9.7528 9.9183 9.9183 9.9191 9.9191 11.5799 11.5799 11.5805 11.5805 12.1462 12.1462 12.1767 12.1767 k = 0.5000 0.3618 0.3128 ( 3456 PWs) bands (ev): -3.9103 -3.9103 -3.9103 -3.9103 -2.5832 -2.5832 -2.5831 -2.5831 3.5738 3.5738 3.5745 3.5745 3.6860 3.6860 3.6864 3.6864 6.9629 6.9629 6.9720 6.9720 7.3495 7.3495 7.3644 7.3644 7.9971 7.9971 7.9982 7.9982 8.9520 8.9520 8.9544 8.9544 9.7549 9.7549 9.7580 9.7580 9.9189 9.9189 9.9194 9.9194 11.5812 11.5812 11.5816 11.5816 12.1760 12.1760 12.1948 12.1948 k = 0.5000 0.3731 0.3128 ( 3456 PWs) bands (ev): -3.9092 -3.9092 -3.9092 -3.9092 -2.5845 -2.5845 -2.5844 -2.5844 3.6209 3.6209 3.6209 3.6209 3.6359 3.6359 3.6359 3.6359 6.9685 6.9685 6.9686 6.9686 7.3596 7.3596 7.3597 7.3597 7.9987 7.9987 7.9987 7.9987 8.9521 8.9521 8.9524 8.9524 9.7585 9.7585 9.7589 9.7589 9.9191 9.9191 9.9195 9.9195 11.5816 11.5816 11.5817 11.5817 12.1952 12.1952 12.1954 12.1954 k = 0.5000 0.3731 0.3128 ( 3456 PWs) bands (ev): -3.9092 -3.9092 -3.9092 -3.9092 -2.5845 -2.5845 -2.5844 -2.5844 3.6209 3.6209 3.6209 3.6209 3.6359 3.6359 3.6359 3.6359 6.9685 6.9685 6.9686 6.9686 7.3596 7.3596 7.3597 7.3597 7.9987 7.9987 7.9987 7.9987 8.9521 8.9521 8.9524 8.9524 9.7585 9.7585 9.7589 9.7589 9.9191 9.9191 9.9195 9.9195 11.5816 11.5816 11.5817 11.5817 12.1952 12.1952 12.1954 12.1954 k = 0.4886 0.3731 0.3128 ( 3456 PWs) bands (ev): -3.9098 -3.9098 -3.9098 -3.9098 -2.5857 -2.5857 -2.5857 -2.5857 3.6230 3.6230 3.6230 3.6230 3.6380 3.6380 3.6380 3.6380 6.9683 6.9683 6.9685 6.9685 7.3603 7.3603 7.3605 7.3605 7.9982 7.9982 7.9982 7.9982 8.9519 8.9519 8.9522 8.9522 9.7584 9.7584 9.7588 9.7588 9.9185 9.9185 9.9189 9.9189 11.5822 11.5822 11.5822 11.5822 12.1967 12.1967 12.1970 12.1970 k = 0.4773 0.3731 0.3128 ( 3460 PWs) bands (ev): -3.9116 -3.9116 -3.9116 -3.9116 -2.5894 -2.5894 -2.5894 -2.5894 3.6292 3.6292 3.6292 3.6292 3.6441 3.6441 3.6442 3.6442 6.9677 6.9677 6.9679 6.9679 7.3626 7.3626 7.3628 7.3628 7.9967 7.9967 7.9967 7.9967 8.9513 8.9513 8.9516 8.9516 9.7580 9.7580 9.7584 9.7584 9.9167 9.9167 9.9171 9.9171 11.5838 11.5838 11.5838 11.5838 12.2014 12.2014 12.2017 12.2017 k = 0.4659 0.3731 0.3128 ( 3468 PWs) bands (ev): -3.9147 -3.9147 -3.9146 -3.9146 -2.5956 -2.5956 -2.5955 -2.5955 3.6394 3.6394 3.6395 3.6395 3.6544 3.6544 3.6544 3.6544 6.9669 6.9669 6.9670 6.9670 7.3664 7.3664 7.3665 7.3665 7.9943 7.9943 7.9943 7.9943 8.9502 8.9502 8.9505 8.9505 9.7574 9.7574 9.7578 9.7578 9.9137 9.9137 9.9141 9.9141 11.5864 11.5864 11.5864 11.5864 12.2092 12.2092 12.2094 12.2094 k = 0.4545 0.3731 0.3128 ( 3484 PWs) bands (ev): -3.9189 -3.9189 -3.9188 -3.9188 -2.6041 -2.6041 -2.6041 -2.6041 3.6536 3.6536 3.6536 3.6536 3.6688 3.6688 3.6688 3.6688 6.9658 6.9658 6.9660 6.9660 7.3714 7.3714 7.3716 7.3716 7.9911 7.9911 7.9911 7.9911 8.9487 8.9487 8.9490 8.9490 9.7565 9.7565 9.7569 9.7569 9.9096 9.9096 9.9100 9.9100 11.5898 11.5898 11.5899 11.5899 12.2199 12.2199 12.2201 12.2201 k = 0.4432 0.3731 0.3128 ( 3492 PWs) bands (ev): -3.9242 -3.9242 -3.9242 -3.9242 -2.6150 -2.6150 -2.6149 -2.6149 3.6716 3.6716 3.6716 3.6716 3.6871 3.6871 3.6871 3.6871 6.9648 6.9648 6.9650 6.9650 7.3777 7.3777 7.3779 7.3779 7.9872 7.9872 7.9872 7.9872 8.9465 8.9465 8.9468 8.9468 9.7555 9.7555 9.7558 9.7558 9.9047 9.9047 9.9051 9.9051 11.5940 11.5940 11.5940 11.5940 12.2334 12.2334 12.2337 12.2337 k = 0.4318 0.3731 0.3128 ( 3488 PWs) bands (ev): -3.9307 -3.9307 -3.9306 -3.9306 -2.6280 -2.6280 -2.6279 -2.6279 3.6931 3.6931 3.6931 3.6931 3.7093 3.7093 3.7094 3.7094 6.9641 6.9641 6.9643 6.9643 7.3851 7.3851 7.3852 7.3852 7.9829 7.9829 7.9829 7.9829 8.9438 8.9438 8.9441 8.9441 9.7543 9.7543 9.7546 9.7546 9.8990 9.8990 9.8994 9.8994 11.5987 11.5987 11.5987 11.5987 12.2494 12.2494 12.2497 12.2497 k = 0.4205 0.3731 0.3128 ( 3488 PWs) bands (ev): -3.9382 -3.9382 -3.9382 -3.9382 -2.6432 -2.6432 -2.6431 -2.6431 3.7181 3.7181 3.7181 3.7181 3.7353 3.7353 3.7353 3.7353 6.9639 6.9639 6.9640 6.9640 7.3931 7.3931 7.3933 7.3933 7.9785 7.9785 7.9785 7.9785 8.9403 8.9403 8.9406 8.9406 9.7530 9.7530 9.7533 9.7533 9.8926 9.8926 9.8930 9.8930 11.6036 11.6036 11.6037 11.6037 12.2669 12.2669 12.2671 12.2671 k = 0.4091 0.3731 0.3128 ( 3488 PWs) bands (ev): -3.9467 -3.9467 -3.9467 -3.9467 -2.6603 -2.6603 -2.6602 -2.6602 3.7464 3.7464 3.7464 3.7464 3.7646 3.7646 3.7647 3.7647 6.9644 6.9644 6.9646 6.9646 7.4016 7.4016 7.4017 7.4017 7.9743 7.9743 7.9744 7.9744 8.9359 8.9359 8.9362 8.9362 9.7515 9.7515 9.7518 9.7518 9.8857 9.8857 9.8861 9.8861 11.6087 11.6087 11.6088 11.6088 12.2831 12.2831 12.2834 12.2834 k = 0.3977 0.3731 0.3128 ( 3496 PWs) bands (ev): -3.9563 -3.9563 -3.9562 -3.9562 -2.6792 -2.6792 -2.6791 -2.6791 3.7779 3.7779 3.7779 3.7779 3.7972 3.7972 3.7972 3.7972 6.9661 6.9661 6.9663 6.9663 7.4099 7.4099 7.4100 7.4100 7.9709 7.9709 7.9709 7.9709 8.9307 8.9307 8.9310 8.9310 9.7498 9.7498 9.7502 9.7502 9.8785 9.8785 9.8788 9.8788 11.6137 11.6137 11.6138 11.6138 12.2909 12.2909 12.2912 12.2912 k = 0.3864 0.3731 0.3128 ( 3496 PWs) bands (ev): -3.9667 -3.9667 -3.9666 -3.9666 -2.6998 -2.6998 -2.6998 -2.6998 3.8123 3.8123 3.8123 3.8123 3.8325 3.8325 3.8326 3.8326 6.9694 6.9694 6.9695 6.9695 7.4177 7.4177 7.4178 7.4178 7.9686 7.9686 7.9686 7.9686 8.9245 8.9245 8.9248 8.9248 9.7481 9.7481 9.7484 9.7484 9.8711 9.8711 9.8714 9.8714 11.6184 11.6184 11.6185 11.6185 12.2826 12.2826 12.2829 12.2829 k = 0.3750 0.3731 0.3128 ( 3488 PWs) bands (ev): -3.9779 -3.9779 -3.9778 -3.9778 -2.7219 -2.7219 -2.7219 -2.7219 3.8493 3.8493 3.8494 3.8494 3.8705 3.8705 3.8705 3.8705 6.9745 6.9745 6.9747 6.9747 7.4243 7.4243 7.4244 7.4244 7.9682 7.9682 7.9683 7.9683 8.9173 8.9173 8.9176 8.9176 9.7463 9.7463 9.7466 9.7466 9.8636 9.8636 9.8640 9.8640 11.6227 11.6227 11.6228 11.6228 12.2632 12.2632 12.2634 12.2634 k = 0.3636 0.3731 0.3128 ( 3480 PWs) bands (ev): -3.9899 -3.9899 -3.9898 -3.9898 -2.7454 -2.7454 -2.7454 -2.7454 3.8887 3.8887 3.8887 3.8887 3.9109 3.9109 3.9110 3.9110 6.9819 6.9819 6.9821 6.9821 7.4290 7.4290 7.4291 7.4291 7.9703 7.9703 7.9703 7.9703 8.9091 8.9091 8.9094 8.9094 9.7444 9.7444 9.7448 9.7448 9.8563 9.8563 9.8567 9.8567 11.6264 11.6264 11.6265 11.6265 12.2386 12.2386 12.2389 12.2389 k = 0.3523 0.3731 0.3128 ( 3480 PWs) bands (ev): -4.0025 -4.0025 -4.0025 -4.0025 -2.7701 -2.7701 -2.7700 -2.7700 3.9298 3.9298 3.9298 3.9298 3.9538 3.9538 3.9538 3.9538 6.9920 6.9920 6.9922 6.9922 7.4313 7.4313 7.4314 7.4314 7.9755 7.9755 7.9756 7.9756 8.8997 8.8997 8.9000 8.9000 9.7424 9.7424 9.7427 9.7427 9.8490 9.8490 9.8494 9.8494 11.6294 11.6294 11.6295 11.6295 12.2114 12.2114 12.2117 12.2117 k = 0.3409 0.3731 0.3128 ( 3480 PWs) bands (ev): -4.0158 -4.0158 -4.0157 -4.0157 -2.7958 -2.7958 -2.7957 -2.7957 3.9717 3.9717 3.9718 3.9718 3.9991 3.9991 3.9991 3.9991 7.0053 7.0053 7.0054 7.0054 7.4305 7.4305 7.4306 7.4306 7.9845 7.9845 7.9846 7.9846 8.8893 8.8893 8.8896 8.8896 9.7402 9.7402 9.7406 9.7406 9.8420 9.8420 9.8423 9.8423 11.6315 11.6315 11.6316 11.6316 12.1827 12.1827 12.1829 12.1829 k = 0.3295 0.3731 0.3128 ( 3480 PWs) bands (ev): -4.0296 -4.0296 -4.0295 -4.0295 -2.8223 -2.8223 -2.8222 -2.8222 4.0139 4.0139 4.0139 4.0139 4.0472 4.0472 4.0472 4.0472 7.0220 7.0220 7.0222 7.0222 7.4263 7.4263 7.4264 7.4264 7.9977 7.9977 7.9977 7.9977 8.8779 8.8779 8.8781 8.8781 9.7379 9.7379 9.7383 9.7383 9.8351 9.8351 9.8355 9.8355 11.6327 11.6327 11.6328 11.6328 12.1531 12.1531 12.1533 12.1533 k = 0.3182 0.3731 0.3128 ( 3484 PWs) bands (ev): -4.0438 -4.0438 -4.0438 -4.0438 -2.8495 -2.8495 -2.8494 -2.8494 4.0556 4.0556 4.0556 4.0556 4.0979 4.0979 4.0980 4.0980 7.0426 7.0426 7.0427 7.0427 7.4184 7.4184 7.4184 7.4184 8.0152 8.0152 8.0153 8.0153 8.8654 8.8654 8.8657 8.8657 9.7355 9.7355 9.7358 9.7358 9.8285 9.8285 9.8288 9.8288 11.6329 11.6329 11.6330 11.6330 12.1231 12.1231 12.1234 12.1234 k = 0.3068 0.3731 0.3128 ( 3480 PWs) bands (ev): -4.0584 -4.0584 -4.0583 -4.0583 -2.8772 -2.8772 -2.8771 -2.8771 4.0962 4.0962 4.0963 4.0963 4.1513 4.1513 4.1513 4.1513 7.0672 7.0672 7.0674 7.0674 7.4068 7.4068 7.4068 7.4068 8.0372 8.0372 8.0373 8.0373 8.8521 8.8521 8.8524 8.8524 9.7329 9.7329 9.7332 9.7332 9.8222 9.8222 9.8225 9.8225 11.6321 11.6321 11.6322 11.6322 12.0933 12.0933 12.0936 12.0936 k = 0.2955 0.3731 0.3128 ( 3472 PWs) bands (ev): -4.0733 -4.0733 -4.0732 -4.0732 -2.9052 -2.9052 -2.9052 -2.9052 4.1356 4.1356 4.1356 4.1356 4.2069 4.2069 4.2070 4.2070 7.0962 7.0962 7.0963 7.0963 7.3918 7.3918 7.3919 7.3919 8.0635 8.0635 8.0636 8.0636 8.8381 8.8381 8.8383 8.8383 9.7300 9.7300 9.7304 9.7304 9.8160 9.8160 9.8163 9.8163 11.6301 11.6301 11.6302 11.6302 12.0640 12.0640 12.0643 12.0643 k = 0.2841 0.3731 0.3128 ( 3472 PWs) bands (ev): -4.0883 -4.0883 -4.0883 -4.0883 -2.9335 -2.9335 -2.9334 -2.9334 4.1733 4.1733 4.1733 4.1733 4.2647 4.2647 4.2647 4.2647 7.1292 7.1292 7.1294 7.1294 7.3740 7.3740 7.3741 7.3741 8.0939 8.0939 8.0940 8.0940 8.8233 8.8233 8.8235 8.8235 9.7269 9.7269 9.7272 9.7272 9.8099 9.8099 9.8102 9.8102 11.6268 11.6268 11.6269 11.6269 12.0358 12.0358 12.0361 12.0361 k = 0.2727 0.3731 0.3128 ( 3476 PWs) bands (ev): -4.1035 -4.1035 -4.1034 -4.1034 -2.9618 -2.9618 -2.9617 -2.9617 4.2090 4.2090 4.2090 4.2090 4.3243 4.3243 4.3243 4.3243 7.1657 7.1657 7.1658 7.1658 7.3547 7.3547 7.3548 7.3548 8.1279 8.1279 8.1280 8.1280 8.8079 8.8079 8.8082 8.8082 9.7234 9.7234 9.7237 9.7237 9.8039 9.8039 9.8041 9.8041 11.6223 11.6223 11.6224 11.6224 12.0091 12.0091 12.0093 12.0093 k = 0.2614 0.3731 0.3128 ( 3476 PWs) bands (ev): -4.1187 -4.1187 -4.1186 -4.1186 -2.9899 -2.9899 -2.9899 -2.9899 4.2425 4.2425 4.2425 4.2425 4.3855 4.3855 4.3855 4.3855 7.2025 7.2025 7.2026 7.2026 7.3374 7.3374 7.3374 7.3374 8.1652 8.1652 8.1652 8.1652 8.7921 8.7921 8.7924 8.7924 9.7195 9.7195 9.7198 9.7198 9.7977 9.7977 9.7980 9.7980 11.6164 11.6164 11.6166 11.6166 11.9843 11.9843 11.9845 11.9845 k = 0.2500 0.3731 0.3128 ( 3476 PWs) bands (ev): -4.1338 -4.1338 -4.1338 -4.1338 -3.0178 -3.0178 -3.0178 -3.0178 4.2736 4.2736 4.2736 4.2736 4.4481 4.4481 4.4482 4.4482 7.2288 7.2288 7.2289 7.2289 7.3332 7.3332 7.3333 7.3333 8.2053 8.2053 8.2053 8.2053 8.7760 8.7760 8.7763 8.7763 9.7151 9.7151 9.7154 9.7154 9.7913 9.7913 9.7916 9.7916 11.6092 11.6092 11.6094 11.6094 11.9618 11.9618 11.9620 11.9620 k = 0.2386 0.3731 0.3128 ( 3480 PWs) bands (ev): -4.1489 -4.1489 -4.1488 -4.1488 -3.0454 -3.0454 -3.0453 -3.0453 4.3021 4.3021 4.3022 4.3022 4.5120 4.5120 4.5120 4.5120 7.2271 7.2271 7.2271 7.2271 7.3601 7.3601 7.3602 7.3602 8.2477 8.2477 8.2478 8.2478 8.7598 8.7598 8.7600 8.7600 9.7101 9.7101 9.7104 9.7104 9.7846 9.7846 9.7849 9.7849 11.6005 11.6005 11.6007 11.6007 11.9421 11.9421 11.9423 11.9423 k = 0.2273 0.3731 0.3128 ( 3476 PWs) bands (ev): -4.1637 -4.1637 -4.1637 -4.1637 -3.0724 -3.0724 -3.0723 -3.0723 4.3281 4.3281 4.3281 4.3281 4.5768 4.5768 4.5768 4.5768 7.2045 7.2045 7.2046 7.2046 7.4109 7.4109 7.4110 7.4110 8.2922 8.2922 8.2923 8.2923 8.7436 8.7436 8.7439 8.7439 9.7045 9.7045 9.7048 9.7048 9.7774 9.7774 9.7776 9.7776 11.5905 11.5905 11.5906 11.5906 11.9256 11.9256 11.9259 11.9259 k = 0.2159 0.3731 0.3128 ( 3488 PWs) bands (ev): -4.1783 -4.1783 -4.1783 -4.1783 -3.0988 -3.0988 -3.0987 -3.0987 4.3513 4.3513 4.3514 4.3514 4.6423 4.6423 4.6424 4.6424 7.1737 7.1737 7.1738 7.1738 7.4730 7.4730 7.4731 7.4731 8.3382 8.3382 8.3383 8.3383 8.7276 8.7276 8.7279 8.7279 9.6981 9.6981 9.6984 9.6984 9.7694 9.7694 9.7697 9.7697 11.5789 11.5789 11.5790 11.5790 11.9127 11.9127 11.9129 11.9129 k = 0.2045 0.3731 0.3128 ( 3480 PWs) bands (ev): -4.1926 -4.1926 -4.1925 -4.1925 -3.1245 -3.1245 -3.1244 -3.1244 4.3720 4.3720 4.3720 4.3720 4.7085 4.7085 4.7085 4.7085 7.1391 7.1391 7.1391 7.1391 7.5421 7.5421 7.5423 7.5423 8.3854 8.3854 8.3855 8.3855 8.7121 8.7121 8.7124 8.7124 9.6909 9.6909 9.6912 9.6912 9.7608 9.7608 9.7610 9.7610 11.5659 11.5659 11.5660 11.5660 11.9037 11.9037 11.9040 11.9040 k = 0.1932 0.3731 0.3128 ( 3484 PWs) bands (ev): -4.2064 -4.2064 -4.2064 -4.2064 -3.1493 -3.1493 -3.1493 -3.1493 4.3901 4.3901 4.3902 4.3902 4.7750 4.7750 4.7750 4.7750 7.1019 7.1019 7.1020 7.1020 7.6166 7.6166 7.6168 7.6168 8.4333 8.4333 8.4333 8.4333 8.6972 8.6972 8.6975 8.6975 9.6827 9.6827 9.6830 9.6830 9.7511 9.7511 9.7514 9.7514 11.5513 11.5513 11.5515 11.5515 11.8990 11.8990 11.8992 11.8992 k = 0.1818 0.3731 0.3128 ( 3484 PWs) bands (ev): -4.2198 -4.2198 -4.2198 -4.2198 -3.1732 -3.1732 -3.1732 -3.1732 4.4058 4.4058 4.4059 4.4059 4.8416 4.8416 4.8416 4.8416 7.0630 7.0630 7.0631 7.0631 7.6955 7.6955 7.6956 7.6956 8.4812 8.4812 8.4812 8.4812 8.6835 8.6835 8.6838 8.6838 9.6735 9.6735 9.6738 9.6738 9.7404 9.7404 9.7407 9.7407 11.5352 11.5352 11.5354 11.5354 11.8988 11.8988 11.8990 11.8990 k = 0.1705 0.3731 0.3128 ( 3480 PWs) bands (ev): -4.2327 -4.2327 -4.2326 -4.2326 -3.1961 -3.1961 -3.1960 -3.1960 4.4193 4.4193 4.4194 4.4194 4.9082 4.9082 4.9082 4.9082 7.0227 7.0227 7.0228 7.0228 7.7781 7.7781 7.7782 7.7782 8.5280 8.5280 8.5281 8.5281 8.6719 8.6719 8.6721 8.6721 9.6631 9.6631 9.6634 9.6634 9.7285 9.7285 9.7288 9.7288 11.5177 11.5177 11.5178 11.5178 11.9032 11.9032 11.9034 11.9034 k = 0.1591 0.3731 0.3128 ( 3480 PWs) bands (ev): -4.2450 -4.2450 -4.2449 -4.2449 -3.2179 -3.2179 -3.2178 -3.2178 4.4307 4.4307 4.4308 4.4308 4.9743 4.9743 4.9744 4.9744 6.9813 6.9813 6.9814 6.9814 7.8635 7.8635 7.8636 7.8636 8.5711 8.5711 8.5712 8.5712 8.6649 8.6649 8.6652 8.6652 9.6514 9.6514 9.6517 9.6517 9.7153 9.7153 9.7156 9.7156 11.4987 11.4987 11.4989 11.4989 11.9123 11.9123 11.9125 11.9125 k = 0.1477 0.3731 0.3128 ( 3484 PWs) bands (ev): -4.2567 -4.2567 -4.2566 -4.2566 -3.2385 -3.2385 -3.2384 -3.2384 4.4403 4.4403 4.4403 4.4403 5.0399 5.0399 5.0400 5.0400 6.9391 6.9391 6.9392 6.9392 7.9510 7.9510 7.9511 7.9511 8.6012 8.6012 8.6013 8.6013 8.6719 8.6719 8.6720 8.6720 9.6383 9.6383 9.6385 9.6385 9.7007 9.7007 9.7009 9.7009 11.4785 11.4785 11.4787 11.4787 11.9261 11.9261 11.9263 11.9263 k = 0.1364 0.3731 0.3128 ( 3488 PWs) bands (ev): -4.2677 -4.2677 -4.2676 -4.2676 -3.2578 -3.2578 -3.2577 -3.2577 4.4482 4.4482 4.4482 4.4482 5.1046 5.1046 5.1047 5.1047 6.8963 6.8963 6.8964 6.8964 8.0397 8.0397 8.0398 8.0398 8.6089 8.6089 8.6091 8.6091 8.7021 8.7021 8.7021 8.7021 9.6235 9.6235 9.6238 9.6238 9.6846 9.6846 9.6848 9.6848 11.4572 11.4572 11.4574 11.4574 11.9444 11.9444 11.9446 11.9446 k = 0.1250 0.3731 0.3128 ( 3484 PWs) bands (ev): -4.2780 -4.2780 -4.2779 -4.2779 -3.2758 -3.2758 -3.2758 -3.2758 4.4546 4.4546 4.4546 4.4546 5.1682 5.1682 5.1682 5.1682 6.8533 6.8533 6.8534 6.8534 8.1284 8.1284 8.1285 8.1285 8.6062 8.6062 8.6064 8.6064 8.7439 8.7439 8.7440 8.7440 9.6072 9.6072 9.6074 9.6074 9.6671 9.6671 9.6673 9.6673 11.4349 11.4349 11.4351 11.4351 11.9669 11.9669 11.9671 11.9671 k = 0.1136 0.3731 0.3128 ( 3480 PWs) bands (ev): -4.2875 -4.2875 -4.2875 -4.2875 -3.2925 -3.2925 -3.2924 -3.2924 4.4597 4.4597 4.4598 4.4598 5.2301 5.2301 5.2302 5.2302 6.8102 6.8102 6.8103 6.8103 8.2154 8.2154 8.2155 8.2155 8.6026 8.6026 8.6028 8.6028 8.7885 8.7885 8.7886 8.7886 9.5889 9.5889 9.5891 9.5891 9.6481 9.6481 9.6484 9.6484 11.4120 11.4120 11.4123 11.4123 11.9930 11.9930 11.9932 11.9932 k = 0.1023 0.3731 0.3128 ( 3484 PWs) bands (ev): -4.2962 -4.2962 -4.2962 -4.2962 -3.3077 -3.3077 -3.3076 -3.3076 4.4638 4.4638 4.4638 4.4638 5.2901 5.2901 5.2901 5.2901 6.7676 6.7676 6.7677 6.7677 8.2984 8.2984 8.2985 8.2985 8.6020 8.6020 8.6022 8.6022 8.8334 8.8334 8.8334 8.8334 9.5684 9.5684 9.5686 9.5686 9.6279 9.6279 9.6281 9.6281 11.3890 11.3890 11.3892 11.3892 12.0221 12.0221 12.0223 12.0223 k = 0.0909 0.3731 0.3128 ( 3488 PWs) bands (ev): -4.3041 -4.3041 -4.3041 -4.3041 -3.3214 -3.3214 -3.3213 -3.3213 4.4669 4.4669 4.4670 4.4670 5.3476 5.3476 5.3476 5.3476 6.7257 6.7257 6.7258 6.7258 8.3729 8.3729 8.3729 8.3729 8.6088 8.6088 8.6089 8.6089 8.8776 8.8776 8.8776 8.8776 9.5455 9.5455 9.5457 9.5457 9.6066 9.6066 9.6069 9.6069 11.3661 11.3661 11.3663 11.3663 12.0533 12.0533 12.0535 12.0535 k = 0.0795 0.3731 0.3128 ( 3488 PWs) bands (ev): -4.3112 -4.3112 -4.3112 -4.3112 -3.3336 -3.3336 -3.3336 -3.3336 4.4693 4.4693 4.4694 4.4694 5.4020 5.4020 5.4020 5.4020 6.6853 6.6853 6.6854 6.6854 8.4314 8.4314 8.4315 8.4315 8.6294 8.6294 8.6295 8.6295 8.9208 8.9208 8.9209 8.9209 9.5198 9.5198 9.5200 9.5200 9.5849 9.5849 9.5851 9.5851 11.3439 11.3439 11.3442 11.3442 12.0857 12.0857 12.0859 12.0859 k = 0.0682 0.3731 0.3128 ( 3492 PWs) bands (ev): -4.3174 -4.3174 -4.3173 -4.3173 -3.3443 -3.3443 -3.3442 -3.3442 4.4711 4.4711 4.4712 4.4712 5.4525 5.4525 5.4526 5.4526 6.6469 6.6469 6.6471 6.6471 8.4676 8.4676 8.4678 8.4678 8.6691 8.6691 8.6692 8.6692 8.9631 8.9631 8.9632 8.9632 9.4908 9.4908 9.4910 9.4910 9.5632 9.5632 9.5635 9.5635 11.3230 11.3230 11.3233 11.3233 12.1179 12.1179 12.1181 12.1181 k = 0.0568 0.3731 0.3128 ( 3488 PWs) bands (ev): -4.3226 -4.3226 -4.3226 -4.3226 -3.3534 -3.3534 -3.3533 -3.3533 4.4724 4.4724 4.4725 4.4725 5.4984 5.4984 5.4984 5.4984 6.6115 6.6115 6.6116 6.6116 8.4849 8.4849 8.4851 8.4851 8.7228 8.7228 8.7229 8.7229 9.0047 9.0047 9.0047 9.0047 9.4581 9.4581 9.4583 9.4583 9.5426 9.5426 9.5429 9.5429 11.3040 11.3040 11.3042 11.3042 12.1486 12.1486 12.1488 12.1488 k = 0.0455 0.3731 0.3128 ( 3476 PWs) bands (ev): -4.3269 -4.3269 -4.3269 -4.3269 -3.3608 -3.3608 -3.3607 -3.3607 4.4734 4.4734 4.4734 4.4734 5.5385 5.5385 5.5385 5.5385 6.5801 6.5801 6.5802 6.5802 8.4920 8.4920 8.4922 8.4922 8.7795 8.7795 8.7796 8.7796 9.0460 9.0460 9.0461 9.0461 9.4217 9.4217 9.4219 9.4219 9.5238 9.5238 9.5241 9.5241 11.2874 11.2874 11.2877 11.2877 12.1766 12.1766 12.1767 12.1767 k = 0.0341 0.3731 0.3128 ( 3488 PWs) bands (ev): -4.3303 -4.3303 -4.3303 -4.3303 -3.3666 -3.3666 -3.3666 -3.3666 4.4740 4.4740 4.4740 4.4740 5.5716 5.5716 5.5716 5.5716 6.5536 6.5536 6.5538 6.5538 8.4946 8.4946 8.4948 8.4948 8.8308 8.8308 8.8309 8.8309 9.0878 9.0878 9.0879 9.0879 9.3819 9.3819 9.3821 9.3821 9.5077 9.5077 9.5079 9.5079 11.2738 11.2738 11.2741 11.2741 12.2000 12.2000 12.2002 12.2002 k = 0.0227 0.3731 0.3128 ( 3484 PWs) bands (ev): -4.3327 -4.3327 -4.3327 -4.3327 -3.3708 -3.3708 -3.3707 -3.3707 4.4744 4.4744 4.4744 4.4744 5.5965 5.5965 5.5965 5.5965 6.5336 6.5336 6.5337 6.5337 8.4954 8.4954 8.4957 8.4957 8.8710 8.8710 8.8711 8.8711 9.1303 9.1303 9.1304 9.1304 9.3398 9.3398 9.3401 9.3401 9.4952 9.4952 9.4954 9.4954 11.2637 11.2637 11.2640 11.2640 12.2180 12.2180 12.2181 12.2181 k = 0.0114 0.3731 0.3128 ( 3480 PWs) bands (ev): -4.3342 -4.3342 -4.3342 -4.3342 -3.3733 -3.3733 -3.3732 -3.3732 4.4746 4.4746 4.4747 4.4747 5.6120 5.6120 5.6120 5.6120 6.5210 6.5210 6.5211 6.5211 8.4955 8.4955 8.4958 8.4958 8.8965 8.8965 8.8965 8.8965 9.1709 9.1709 9.1710 9.1710 9.2992 9.2992 9.2994 9.2994 9.4872 9.4872 9.4875 9.4875 11.2575 11.2575 11.2578 11.2578 12.2292 12.2292 12.2293 12.2293 k = 0.0000 0.3731 0.3128 ( 3484 PWs) bands (ev): -4.3347 -4.3347 -4.3346 -4.3346 -3.3742 -3.3742 -3.3741 -3.3741 4.4747 4.4747 4.4747 4.4747 5.6172 5.6172 5.6173 5.6173 6.5167 6.5167 6.5168 6.5168 8.4955 8.4955 8.4958 8.4958 8.9051 8.9051 8.9052 8.9052 9.1935 9.1935 9.1936 9.1936 9.2766 9.2766 9.2768 9.2768 9.4845 9.4845 9.4847 9.4847 11.2554 11.2554 11.2557 11.2557 12.2330 12.2330 12.2332 12.2332 k = 0.0000 0.3731 0.3128 ( 3484 PWs) bands (ev): -4.3347 -4.3347 -4.3346 -4.3346 -3.3742 -3.3742 -3.3741 -3.3741 4.4747 4.4747 4.4747 4.4747 5.6172 5.6172 5.6173 5.6173 6.5167 6.5167 6.5168 6.5168 8.4955 8.4955 8.4958 8.4958 8.9051 8.9051 8.9052 8.9052 9.1935 9.1935 9.1936 9.1936 9.2766 9.2766 9.2768 9.2768 9.4845 9.4845 9.4847 9.4847 11.2554 11.2554 11.2557 11.2557 12.2330 12.2330 12.2332 12.2332 k = 0.0000 0.3618 0.3128 ( 3476 PWs) bands (ev): -4.3386 -4.3386 -4.3386 -4.3386 -3.3690 -3.3690 -3.3689 -3.3689 4.4719 4.4719 4.4720 4.4720 5.6209 5.6209 5.6210 5.6210 6.5172 6.5172 6.5174 6.5174 8.4856 8.4856 8.4859 8.4859 8.9042 8.9042 8.9043 8.9043 9.1795 9.1795 9.1796 9.1796 9.2893 9.2893 9.2896 9.2896 9.4897 9.4897 9.4899 9.4899 11.2575 11.2575 11.2578 11.2578 12.2347 12.2347 12.2349 12.2349 k = 0.0000 0.3505 0.3128 ( 3482 PWs) bands (ev): -4.3502 -4.3502 -4.3502 -4.3502 -3.3539 -3.3539 -3.3538 -3.3538 4.4637 4.4637 4.4638 4.4638 5.6320 5.6320 5.6320 5.6320 6.5188 6.5188 6.5190 6.5190 8.4565 8.4565 8.4568 8.4568 8.9013 8.9013 8.9014 8.9014 9.1502 9.1502 9.1503 9.1503 9.3151 9.3151 9.3153 9.3153 9.5042 9.5042 9.5045 9.5045 11.2635 11.2635 11.2638 11.2638 12.2397 12.2397 12.2399 12.2399 k = 0.0000 0.3392 0.3128 ( 3478 PWs) bands (ev): -4.3687 -4.3687 -4.3687 -4.3687 -3.3295 -3.3295 -3.3294 -3.3294 4.4505 4.4505 4.4505 4.4505 5.6499 5.6499 5.6499 5.6499 6.5216 6.5216 6.5218 6.5218 8.4103 8.4103 8.4105 8.4105 8.8955 8.8955 8.8955 8.8955 9.1174 9.1174 9.1175 9.1175 9.3436 9.3436 9.3439 9.3439 9.5263 9.5263 9.5265 9.5265 11.2733 11.2733 11.2736 11.2736 12.2481 12.2481 12.2483 12.2483 k = 0.0000 0.3279 0.3128 ( 3476 PWs) bands (ev): -4.3930 -4.3930 -4.3930 -4.3930 -3.2970 -3.2970 -3.2969 -3.2969 4.4327 4.4327 4.4328 4.4328 5.6740 5.6740 5.6740 5.6740 6.5255 6.5255 6.5256 6.5256 8.3495 8.3495 8.3497 8.3497 8.8851 8.8851 8.8851 8.8851 9.0863 9.0863 9.0864 9.0864 9.3720 9.3720 9.3723 9.3723 9.5532 9.5532 9.5534 9.5534 11.2863 11.2863 11.2865 11.2865 12.2598 12.2598 12.2600 12.2600 k = 0.0000 0.3166 0.3128 ( 3476 PWs) bands (ev): -4.4221 -4.4221 -4.4220 -4.4220 -3.2575 -3.2575 -3.2574 -3.2574 4.4112 4.4112 4.4113 4.4113 5.7035 5.7035 5.7035 5.7035 6.5304 6.5304 6.5306 6.5306 8.2767 8.2767 8.2769 8.2769 8.8680 8.8680 8.8681 8.8681 9.0603 9.0603 9.0604 9.0604 9.3991 9.3991 9.3993 9.3993 9.5829 9.5829 9.5831 9.5831 11.3018 11.3018 11.3020 11.3020 12.2747 12.2747 12.2749 12.2749 k = 0.0000 0.3053 0.3128 ( 3488 PWs) bands (ev): -4.4547 -4.4547 -4.4546 -4.4546 -3.2122 -3.2122 -3.2121 -3.2121 4.3866 4.3866 4.3866 4.3866 5.7376 5.7376 5.7376 5.7376 6.5363 6.5363 6.5365 6.5365 8.1946 8.1946 8.1947 8.1947 8.8427 8.8427 8.8428 8.8428 9.0419 9.0419 9.0420 9.0420 9.4242 9.4242 9.4244 9.4244 9.6139 9.6139 9.6141 9.6141 11.3191 11.3191 11.3194 11.3194 12.2926 12.2926 12.2928 12.2928 k = 0.0000 0.2940 0.3128 ( 3482 PWs) bands (ev): -4.4898 -4.4898 -4.4898 -4.4898 -3.1623 -3.1623 -3.1622 -3.1622 4.3596 4.3596 4.3596 4.3596 5.7753 5.7753 5.7753 5.7753 6.5434 6.5434 6.5435 6.5435 8.1052 8.1052 8.1053 8.1053 8.8095 8.8095 8.8095 8.8095 9.0314 9.0314 9.0316 9.0316 9.4470 9.4470 9.4472 9.4472 9.6451 9.6451 9.6454 9.6454 11.3376 11.3376 11.3378 11.3378 12.3136 12.3136 12.3138 12.3138 k = 0.0000 0.2826 0.3128 ( 3480 PWs) bands (ev): -4.5267 -4.5267 -4.5267 -4.5267 -3.1086 -3.1086 -3.1085 -3.1085 4.3309 4.3309 4.3309 4.3309 5.8157 5.8157 5.8157 5.8157 6.5514 6.5514 6.5516 6.5516 8.0106 8.0106 8.0107 8.0107 8.7699 8.7699 8.7700 8.7700 9.0275 9.0275 9.0277 9.0277 9.4671 9.4671 9.4673 9.4673 9.6760 9.6760 9.6763 9.6763 11.3563 11.3563 11.3565 11.3565 12.3374 12.3374 12.3376 12.3376 k = 0.0000 0.2713 0.3128 ( 3476 PWs) bands (ev): -4.5647 -4.5647 -4.5646 -4.5646 -3.0519 -3.0519 -3.0518 -3.0518 4.3010 4.3010 4.3010 4.3010 5.8578 5.8578 5.8579 5.8579 6.5605 6.5605 6.5607 6.5607 7.9123 7.9123 7.9124 7.9124 8.7262 8.7262 8.7262 8.7262 9.0285 9.0285 9.0286 9.0286 9.4845 9.4845 9.4847 9.4847 9.7060 9.7060 9.7063 9.7063 11.3745 11.3745 11.3747 11.3747 12.3640 12.3640 12.3641 12.3641 k = 0.0000 0.2600 0.3128 ( 3480 PWs) bands (ev): -4.6030 -4.6030 -4.6030 -4.6030 -2.9930 -2.9930 -2.9929 -2.9929 4.2705 4.2705 4.2705 4.2705 5.9008 5.9008 5.9008 5.9008 6.5706 6.5706 6.5707 6.5707 7.8121 7.8121 7.8121 7.8121 8.6797 8.6797 8.6798 8.6798 9.0329 9.0329 9.0331 9.0331 9.4990 9.4990 9.4993 9.4993 9.7350 9.7350 9.7352 9.7352 11.3914 11.3914 11.3916 11.3916 12.3929 12.3929 12.3931 12.3931 k = 0.0000 0.2487 0.3128 ( 3474 PWs) bands (ev): -4.6414 -4.6414 -4.6414 -4.6414 -2.9324 -2.9324 -2.9324 -2.9324 4.2398 4.2398 4.2398 4.2398 5.9437 5.9437 5.9437 5.9437 6.5816 6.5816 6.5818 6.5818 7.7113 7.7113 7.7114 7.7114 8.6317 8.6317 8.6317 8.6317 9.0401 9.0401 9.0403 9.0403 9.5111 9.5111 9.5114 9.5114 9.7626 9.7626 9.7628 9.7628 11.4065 11.4065 11.4067 11.4067 12.4241 12.4241 12.4243 12.4243 k = 0.0000 0.2374 0.3128 ( 3476 PWs) bands (ev): -4.6794 -4.6794 -4.6794 -4.6794 -2.8708 -2.8708 -2.8707 -2.8707 4.2092 4.2092 4.2092 4.2092 5.9853 5.9853 5.9853 5.9853 6.5935 6.5935 6.5936 6.5936 7.6116 7.6116 7.6116 7.6116 8.5828 8.5828 8.5829 8.5829 9.0494 9.0494 9.0496 9.0496 9.5207 9.5207 9.5210 9.5210 9.7888 9.7888 9.7891 9.7891 11.4192 11.4192 11.4195 11.4195 12.4572 12.4572 12.4574 12.4574 k = 0.0000 0.2261 0.3128 ( 3480 PWs) bands (ev): -4.7167 -4.7167 -4.7167 -4.7167 -2.8084 -2.8084 -2.8084 -2.8084 4.1792 4.1792 4.1792 4.1792 6.0245 6.0245 6.0246 6.0246 6.6063 6.6063 6.6064 6.6064 7.5144 7.5144 7.5144 7.5144 8.5335 8.5335 8.5336 8.5336 9.0605 9.0605 9.0607 9.0607 9.5280 9.5280 9.5283 9.5283 9.8135 9.8135 9.8138 9.8138 11.4291 11.4291 11.4293 11.4293 12.4919 12.4919 12.4921 12.4921 k = 0.0000 0.2148 0.3128 ( 3480 PWs) bands (ev): -4.7531 -4.7531 -4.7530 -4.7530 -2.7459 -2.7459 -2.7458 -2.7458 4.1499 4.1499 4.1499 4.1499 6.0600 6.0600 6.0601 6.0601 6.6199 6.6199 6.6200 6.6200 7.4214 7.4214 7.4214 7.4214 8.4843 8.4843 8.4844 8.4844 9.0733 9.0733 9.0735 9.0735 9.5335 9.5335 9.5337 9.5337 9.8367 9.8367 9.8370 9.8370 11.4358 11.4358 11.4360 11.4360 12.5279 12.5279 12.5281 12.5281 k = 0.0000 0.2035 0.3128 ( 3476 PWs) bands (ev): -4.7883 -4.7883 -4.7883 -4.7883 -2.6835 -2.6835 -2.6834 -2.6834 4.1215 4.1215 4.1215 4.1215 6.0903 6.0903 6.0903 6.0903 6.6343 6.6343 6.6345 6.6345 7.3345 7.3345 7.3345 7.3345 8.4354 8.4354 8.4355 8.4355 9.0876 9.0876 9.0878 9.0878 9.5371 9.5371 9.5374 9.5374 9.8583 9.8583 9.8586 9.8586 11.4391 11.4391 11.4392 11.4392 12.5646 12.5646 12.5648 12.5648 k = 0.0000 0.1922 0.3128 ( 3476 PWs) bands (ev): -4.8223 -4.8223 -4.8222 -4.8222 -2.6217 -2.6217 -2.6216 -2.6216 4.0944 4.0944 4.0944 4.0944 6.1136 6.1136 6.1136 6.1136 6.6495 6.6495 6.6496 6.6496 7.2556 7.2556 7.2556 7.2556 8.3872 8.3872 8.3873 8.3873 9.1032 9.1032 9.1034 9.1034 9.5394 9.5394 9.5397 9.5397 9.8784 9.8784 9.8787 9.8787 11.4388 11.4388 11.4389 11.4389 12.6013 12.6013 12.6015 12.6015 k = 0.0000 0.1809 0.3128 ( 3478 PWs) bands (ev): -4.8548 -4.8548 -4.8548 -4.8548 -2.5608 -2.5608 -2.5607 -2.5607 4.0685 4.0685 4.0685 4.0685 6.1281 6.1281 6.1281 6.1281 6.6652 6.6652 6.6654 6.6654 7.1868 7.1868 7.1868 7.1868 8.3397 8.3397 8.3398 8.3398 9.1200 9.1200 9.1202 9.1202 9.5404 9.5404 9.5407 9.5407 9.8970 9.8970 9.8973 9.8973 11.4349 11.4349 11.4350 11.4350 12.6371 12.6371 12.6373 12.6373 k = 0.0000 0.1696 0.3128 ( 3472 PWs) bands (ev): -4.8858 -4.8858 -4.8857 -4.8857 -2.5012 -2.5012 -2.5012 -2.5012 4.0441 4.0441 4.0441 4.0441 6.1321 6.1321 6.1322 6.1322 6.6816 6.6816 6.6817 6.6817 7.1300 7.1300 7.1300 7.1300 8.2933 8.2933 8.2934 8.2934 9.1380 9.1380 9.1382 9.1382 9.5404 9.5404 9.5407 9.5407 9.9141 9.9141 9.9144 9.9144 11.4275 11.4275 11.4276 11.4276 12.6702 12.6702 12.6704 12.6704 k = 0.0000 0.1583 0.3128 ( 3480 PWs) bands (ev): -4.9151 -4.9151 -4.9150 -4.9150 -2.4433 -2.4433 -2.4432 -2.4432 4.0212 4.0212 4.0212 4.0212 6.1247 6.1247 6.1247 6.1247 6.6984 6.6984 6.6986 6.6986 7.0864 7.0864 7.0864 7.0864 8.2480 8.2480 8.2482 8.2482 9.1570 9.1570 9.1571 9.1571 9.5395 9.5395 9.5398 9.5398 9.9296 9.9296 9.9299 9.9299 11.4166 11.4166 11.4167 11.4167 12.6976 12.6976 12.6977 12.6977 k = 0.0000 0.1470 0.3128 ( 3476 PWs) bands (ev): -4.9426 -4.9426 -4.9426 -4.9426 -2.3873 -2.3873 -2.3873 -2.3873 3.9999 3.9999 4.0000 4.0000 6.1058 6.1058 6.1058 6.1058 6.7156 6.7156 6.7157 6.7157 7.0563 7.0563 7.0564 7.0564 8.2043 8.2043 8.2044 8.2044 9.1768 9.1768 9.1770 9.1770 9.5381 9.5381 9.5385 9.5385 9.9438 9.9438 9.9441 9.9441 11.4026 11.4026 11.4027 11.4027 12.7145 12.7145 12.7147 12.7147 k = 0.0000 0.1357 0.3128 ( 3480 PWs) bands (ev): -4.9684 -4.9684 -4.9683 -4.9683 -2.3338 -2.3338 -2.3337 -2.3337 3.9804 3.9804 3.9804 3.9804 6.0765 6.0765 6.0766 6.0766 6.7329 6.7329 6.7331 6.7331 7.0388 7.0388 7.0389 7.0389 8.1622 8.1622 8.1623 8.1623 9.1972 9.1972 9.1974 9.1974 9.5363 9.5363 9.5366 9.5366 9.9566 9.9566 9.9569 9.9569 11.3858 11.3858 11.3858 11.3858 12.7185 12.7185 12.7186 12.7186 k = 0.0000 0.1244 0.3128 ( 3472 PWs) bands (ev): -4.9922 -4.9922 -4.9922 -4.9922 -2.2829 -2.2829 -2.2828 -2.2828 3.9625 3.9625 3.9625 3.9625 6.0391 6.0391 6.0391 6.0391 6.7502 6.7502 6.7504 6.7504 7.0320 7.0320 7.0321 7.0321 8.1220 8.1220 8.1221 8.1221 9.2181 9.2181 9.2183 9.2183 9.5343 9.5343 9.5346 9.5346 9.9682 9.9682 9.9685 9.9685 11.3666 11.3666 11.3666 11.3666 12.7128 12.7128 12.7129 12.7129 k = 0.0000 0.1131 0.3128 ( 3480 PWs) bands (ev): -5.0142 -5.0142 -5.0141 -5.0141 -2.2350 -2.2350 -2.2350 -2.2350 3.9463 3.9463 3.9464 3.9464 5.9962 5.9962 5.9962 5.9962 6.7673 6.7673 6.7674 6.7674 7.0335 7.0335 7.0335 7.0335 8.0838 8.0838 8.0839 8.0839 9.2390 9.2390 9.2392 9.2392 9.5322 9.5322 9.5325 9.5325 9.9784 9.9784 9.9788 9.9788 11.3455 11.3455 11.3455 11.3455 12.7025 12.7025 12.7026 12.7026 k = 0.0000 0.1018 0.3128 ( 3484 PWs) bands (ev): -5.0342 -5.0342 -5.0341 -5.0341 -2.1906 -2.1906 -2.1905 -2.1905 3.9319 3.9319 3.9319 3.9319 5.9504 5.9504 5.9504 5.9504 6.7838 6.7838 6.7840 6.7840 7.0407 7.0407 7.0408 7.0408 8.0480 8.0480 8.0481 8.0481 9.2598 9.2598 9.2600 9.2600 9.5301 9.5301 9.5305 9.5305 9.9875 9.9875 9.9878 9.9878 11.3231 11.3231 11.3232 11.3232 12.6907 12.6907 12.6909 12.6909 k = 0.0000 0.0904 0.3128 ( 3484 PWs) bands (ev): -5.0521 -5.0521 -5.0521 -5.0521 -2.1498 -2.1498 -2.1497 -2.1497 3.9192 3.9192 3.9192 3.9192 5.9042 5.9042 5.9042 5.9042 6.7997 6.7997 6.7999 6.7999 7.0516 7.0516 7.0517 7.0517 8.0148 8.0148 8.0149 8.0149 9.2799 9.2799 9.2801 9.2801 9.5283 9.5283 9.5286 9.5286 9.9955 9.9955 9.9958 9.9958 11.3002 11.3002 11.3003 11.3003 12.6790 12.6790 12.6791 12.6791 k = 0.0000 0.0791 0.3128 ( 3486 PWs) bands (ev): -5.0681 -5.0681 -5.0680 -5.0680 -2.1130 -2.1130 -2.1129 -2.1129 3.9081 3.9081 3.9082 3.9082 5.8595 5.8595 5.8595 5.8595 6.8147 6.8147 6.8148 6.8148 7.0644 7.0644 7.0645 7.0645 7.9845 7.9845 7.9847 7.9847 9.2990 9.2990 9.2992 9.2992 9.5268 9.5268 9.5271 9.5271 10.0023 10.0023 10.0027 10.0027 11.2774 11.2774 11.2775 11.2775 12.6680 12.6680 12.6682 12.6682 k = 0.0000 0.0678 0.3128 ( 3486 PWs) bands (ev): -5.0819 -5.0819 -5.0819 -5.0819 -2.0804 -2.0804 -2.0804 -2.0804 3.8987 3.8987 3.8988 3.8988 5.8179 5.8179 5.8180 5.8180 6.8285 6.8285 6.8286 6.8286 7.0777 7.0777 7.0778 7.0778 7.9574 7.9574 7.9576 7.9576 9.3166 9.3166 9.3168 9.3168 9.5257 9.5257 9.5261 9.5261 10.0082 10.0082 10.0085 10.0085 11.2555 11.2555 11.2557 11.2557 12.6582 12.6582 12.6584 12.6584 k = 0.0000 0.0565 0.3128 ( 3494 PWs) bands (ev): -5.0937 -5.0937 -5.0936 -5.0936 -2.0524 -2.0524 -2.0524 -2.0524 3.8909 3.8909 3.8909 3.8909 5.7809 5.7809 5.7810 5.7810 6.8408 6.8408 6.8409 6.8409 7.0904 7.0904 7.0905 7.0905 7.9338 7.9338 7.9340 7.9340 9.3322 9.3322 9.3325 9.3325 9.5251 9.5251 9.5254 9.5254 10.0129 10.0129 10.0133 10.0133 11.2354 11.2354 11.2355 11.2355 12.6498 12.6498 12.6500 12.6500 k = 0.0000 0.0452 0.3128 ( 3498 PWs) bands (ev): -5.1033 -5.1033 -5.1033 -5.1033 -2.0292 -2.0292 -2.0291 -2.0291 3.8845 3.8845 3.8846 3.8846 5.7493 5.7493 5.7494 5.7494 6.8514 6.8514 6.8515 6.8515 7.1017 7.1017 7.1018 7.1018 7.9140 7.9140 7.9141 7.9141 9.3455 9.3455 9.3457 9.3457 9.5248 9.5248 9.5251 9.5251 10.0169 10.0169 10.0172 10.0172 11.2176 11.2176 11.2178 11.2178 12.6428 12.6428 12.6430 12.6430 k = 0.0000 0.0339 0.3128 ( 3502 PWs) bands (ev): -5.1108 -5.1108 -5.1108 -5.1108 -2.0109 -2.0109 -2.0108 -2.0108 3.8797 3.8797 3.8798 3.8798 5.7240 5.7240 5.7241 5.7241 6.8599 6.8599 6.8601 6.8601 7.1111 7.1111 7.1111 7.1111 7.8982 7.8982 7.8984 7.8984 9.3561 9.3561 9.3564 9.3564 9.5249 9.5249 9.5252 9.5252 10.0199 10.0199 10.0202 10.0202 11.2030 11.2030 11.2032 11.2032 12.6374 12.6374 12.6375 12.6375 k = 0.0000 0.0226 0.3128 ( 3506 PWs) bands (ev): -5.1162 -5.1162 -5.1162 -5.1162 -1.9977 -1.9977 -1.9976 -1.9976 3.8763 3.8763 3.8764 3.8764 5.7055 5.7055 5.7056 5.7056 6.8662 6.8662 6.8664 6.8664 7.1180 7.1180 7.1181 7.1181 7.8868 7.8868 7.8869 7.8869 9.3638 9.3638 9.3641 9.3641 9.5251 9.5251 9.5254 9.5254 10.0220 10.0220 10.0223 10.0223 11.1921 11.1921 11.1923 11.1923 12.6334 12.6334 12.6336 12.6336 k = 0.0000 0.0113 0.3128 ( 3512 PWs) bands (ev): -5.1194 -5.1194 -5.1194 -5.1194 -1.9897 -1.9897 -1.9897 -1.9897 3.8743 3.8743 3.8743 3.8743 5.6942 5.6942 5.6943 5.6943 6.8701 6.8701 6.8702 6.8702 7.1222 7.1222 7.1223 7.1223 7.8798 7.8798 7.8800 7.8800 9.3684 9.3684 9.3687 9.3687 9.5253 9.5253 9.5256 9.5256 10.0232 10.0232 10.0236 10.0236 11.1853 11.1853 11.1855 11.1855 12.6311 12.6311 12.6313 12.6313 k = 0.0000 0.0000 0.3128 ( 3504 PWs) bands (ev): -5.1205 -5.1205 -5.1205 -5.1205 -1.9871 -1.9871 -1.9870 -1.9870 3.8736 3.8736 3.8737 3.8737 5.6905 5.6905 5.6905 5.6905 6.8714 6.8714 6.8716 6.8716 7.1237 7.1237 7.1238 7.1238 7.8775 7.8775 7.8777 7.8777 9.3700 9.3700 9.3702 9.3702 9.5254 9.5254 9.5257 9.5257 10.0237 10.0237 10.0240 10.0240 11.1831 11.1831 11.1833 11.1833 12.6303 12.6303 12.6305 12.6305 k = 0.0000 0.3731-0.0000 ( 3492 PWs) bands (ev): -4.7056 -4.7056 -4.7056 -4.7056 -2.7353 -2.7353 -2.7352 -2.7352 3.2314 3.2314 3.2314 3.2314 6.5510 6.5510 6.5511 6.5511 6.9828 6.9828 6.9829 6.9829 7.4851 7.4851 7.4852 7.4852 8.4892 8.4892 8.4893 8.4893 9.3473 9.3473 9.3475 9.3475 9.6346 9.6346 9.6349 9.6349 10.2438 10.2438 10.2440 10.2440 11.8189 11.8189 11.8190 11.8190 12.1757 12.1757 12.1759 12.1759 k = 0.0000 0.3731 0.0112 ( 3492 PWs) bands (ev): -4.7048 -4.7048 -4.7047 -4.7047 -2.7370 -2.7370 -2.7370 -2.7370 3.2343 3.2343 3.2343 3.2343 6.5508 6.5508 6.5510 6.5510 6.9752 6.9752 6.9753 6.9753 7.4932 7.4932 7.4933 7.4933 8.4903 8.4903 8.4904 8.4904 9.3448 9.3448 9.3450 9.3450 9.6336 9.6336 9.6340 9.6340 10.2420 10.2420 10.2422 10.2422 11.8193 11.8193 11.8194 11.8194 12.1759 12.1759 12.1762 12.1762 k = 0.0000 0.3731 0.0223 ( 3492 PWs) bands (ev): -4.7023 -4.7023 -4.7023 -4.7023 -2.7423 -2.7423 -2.7422 -2.7422 3.2429 3.2429 3.2429 3.2429 6.5503 6.5503 6.5505 6.5505 6.9535 6.9535 6.9536 6.9536 7.5160 7.5160 7.5161 7.5161 8.4935 8.4935 8.4937 8.4937 9.3373 9.3373 9.3375 9.3375 9.6309 9.6309 9.6313 9.6313 10.2367 10.2367 10.2369 10.2369 11.8205 11.8205 11.8206 11.8206 12.1767 12.1767 12.1769 12.1769 k = 0.0000 0.3731 0.0335 ( 3492 PWs) bands (ev): -4.6981 -4.6981 -4.6981 -4.6981 -2.7510 -2.7510 -2.7509 -2.7509 3.2571 3.2571 3.2572 3.2572 6.5495 6.5495 6.5497 6.5497 6.9208 6.9208 6.9209 6.9209 7.5505 7.5505 7.5506 7.5506 8.4989 8.4989 8.4990 8.4990 9.3247 9.3247 9.3250 9.3250 9.6267 9.6267 9.6271 9.6271 10.2279 10.2279 10.2281 10.2281 11.8221 11.8221 11.8222 11.8222 12.1779 12.1779 12.1781 12.1781 k = 0.0000 0.3731 0.0447 ( 3492 PWs) bands (ev): -4.6924 -4.6924 -4.6924 -4.6924 -2.7630 -2.7630 -2.7630 -2.7630 3.2770 3.2770 3.2770 3.2770 6.5483 6.5483 6.5485 6.5485 6.8802 6.8802 6.8803 6.8803 7.5937 7.5937 7.5938 7.5938 8.5064 8.5064 8.5065 8.5065 9.3072 9.3072 9.3074 9.3074 9.6213 9.6213 9.6216 9.6216 10.2156 10.2156 10.2158 10.2158 11.8236 11.8236 11.8237 11.8237 12.1794 12.1794 12.1796 12.1796 k = 0.0000 0.3731 0.0559 ( 3500 PWs) bands (ev): -4.6850 -4.6850 -4.6850 -4.6850 -2.7783 -2.7783 -2.7782 -2.7782 3.3022 3.3022 3.3023 3.3023 6.5467 6.5467 6.5469 6.5469 6.8342 6.8342 6.8343 6.8343 7.6429 7.6429 7.6430 7.6430 8.5160 8.5160 8.5161 8.5161 9.2849 9.2849 9.2851 9.2851 9.6150 9.6150 9.6153 9.6153 10.2000 10.2000 10.2003 10.2003 11.8241 11.8241 11.8242 11.8242 12.1812 12.1812 12.1815 12.1815 k = 0.0000 0.3731 0.0670 ( 3496 PWs) bands (ev): -4.6761 -4.6761 -4.6760 -4.6760 -2.7966 -2.7966 -2.7965 -2.7965 3.3327 3.3327 3.3328 3.3328 6.5447 6.5447 6.5448 6.5448 6.7846 6.7846 6.7847 6.7847 7.6964 7.6964 7.6965 7.6965 8.5276 8.5276 8.5278 8.5278 9.2579 9.2579 9.2582 9.2582 9.6082 9.6082 9.6086 9.6086 10.1814 10.1814 10.1816 10.1816 11.8229 11.8229 11.8230 11.8230 12.1833 12.1833 12.1836 12.1836 k = 0.0000 0.3731 0.0782 ( 3502 PWs) bands (ev): -4.6656 -4.6656 -4.6656 -4.6656 -2.8178 -2.8178 -2.8177 -2.8177 3.3683 3.3683 3.3683 3.3683 6.5420 6.5420 6.5421 6.5421 6.7326 6.7326 6.7327 6.7327 7.7531 7.7531 7.7531 7.7531 8.5413 8.5413 8.5415 8.5415 9.2269 9.2269 9.2271 9.2271 9.6010 9.6010 9.6014 9.6014 10.1597 10.1597 10.1599 10.1599 11.8191 11.8191 11.8192 11.8192 12.1856 12.1856 12.1858 12.1858 k = 0.0000 0.3731 0.0894 ( 3502 PWs) bands (ev): -4.6536 -4.6536 -4.6536 -4.6536 -2.8416 -2.8416 -2.8416 -2.8416 3.4086 3.4086 3.4086 3.4086 6.5381 6.5381 6.5383 6.5383 6.6795 6.6795 6.6796 6.6796 7.8119 7.8119 7.8120 7.8120 8.5570 8.5570 8.5572 8.5572 9.1923 9.1923 9.1925 9.1925 9.5937 9.5937 9.5940 9.5940 10.1352 10.1352 10.1354 10.1354 11.8119 11.8119 11.8120 11.8120 12.1880 12.1880 12.1882 12.1882 k = 0.0000 0.3731 0.1005 ( 3498 PWs) bands (ev): -4.6402 -4.6402 -4.6402 -4.6402 -2.8679 -2.8679 -2.8679 -2.8679 3.4534 3.4534 3.4534 3.4534 6.5316 6.5316 6.5317 6.5317 6.6273 6.6273 6.6274 6.6274 7.8725 7.8725 7.8725 7.8725 8.5746 8.5746 8.5747 8.5747 9.1548 9.1548 9.1551 9.1551 9.5861 9.5861 9.5865 9.5865 10.1081 10.1081 10.1083 10.1083 11.8006 11.8006 11.8007 11.8007 12.1904 12.1904 12.1906 12.1906 k = 0.0000 0.3731 0.1117 ( 3490 PWs) bands (ev): -4.6255 -4.6255 -4.6255 -4.6255 -2.8963 -2.8963 -2.8963 -2.8963 3.5024 3.5024 3.5024 3.5024 6.5162 6.5162 6.5163 6.5163 6.5825 6.5825 6.5826 6.5826 7.9342 7.9342 7.9343 7.9343 8.5940 8.5940 8.5941 8.5941 9.1153 9.1153 9.1155 9.1155 9.5784 9.5784 9.5787 9.5787 10.0786 10.0786 10.0788 10.0788 11.7847 11.7847 11.7848 11.7848 12.1930 12.1930 12.1932 12.1932 k = 0.0000 0.3731 0.1229 ( 3494 PWs) bands (ev): -4.6095 -4.6095 -4.6095 -4.6095 -2.9267 -2.9267 -2.9266 -2.9266 3.5553 3.5553 3.5553 3.5553 6.4795 6.4795 6.4796 6.4796 6.5576 6.5576 6.5577 6.5577 7.9967 7.9967 7.9967 7.9967 8.6150 8.6150 8.6151 8.6151 9.0745 9.0745 9.0748 9.0748 9.5702 9.5702 9.5706 9.5706 10.0469 10.0469 10.0471 10.0471 11.7639 11.7639 11.7641 11.7641 12.1957 12.1957 12.1959 12.1959 k = 0.0000 0.3731 0.1340 ( 3482 PWs) bands (ev): -4.5923 -4.5923 -4.5923 -4.5923 -2.9586 -2.9586 -2.9586 -2.9586 3.6116 3.6116 3.6117 3.6117 6.4269 6.4269 6.4269 6.4269 6.5476 6.5476 6.5478 6.5478 8.0596 8.0596 8.0596 8.0596 8.6376 8.6376 8.6377 8.6377 9.0334 9.0334 9.0337 9.0337 9.5617 9.5617 9.5620 9.5620 10.0133 10.0133 10.0135 10.0135 11.7384 11.7384 11.7386 11.7386 12.1985 12.1985 12.1987 12.1987 k = 0.0000 0.3731 0.1452 ( 3482 PWs) bands (ev): -4.5741 -4.5741 -4.5741 -4.5741 -2.9919 -2.9919 -2.9918 -2.9918 3.6711 3.6711 3.6712 3.6712 6.3686 6.3686 6.3686 6.3686 6.5424 6.5424 6.5425 6.5425 8.1224 8.1224 8.1224 8.1224 8.6613 8.6613 8.6615 8.6615 8.9930 8.9930 8.9932 8.9932 9.5525 9.5525 9.5528 9.5528 9.9779 9.9779 9.9781 9.9781 11.7085 11.7085 11.7087 11.7087 12.2015 12.2015 12.2017 12.2017 k = 0.0000 0.3731 0.1564 ( 3492 PWs) bands (ev): -4.5549 -4.5549 -4.5549 -4.5549 -3.0260 -3.0260 -3.0260 -3.0260 3.7333 3.7333 3.7334 3.7334 6.3079 6.3079 6.3079 6.3079 6.5386 6.5386 6.5387 6.5387 8.1846 8.1846 8.1847 8.1847 8.6859 8.6859 8.6860 8.6860 8.9545 8.9545 8.9547 8.9547 9.5424 9.5424 9.5427 9.5427 9.9410 9.9410 9.9412 9.9412 11.6746 11.6746 11.6748 11.6748 12.2045 12.2045 12.2047 12.2047 k = 0.0000 0.3731 0.1676 ( 3498 PWs) bands (ev): -4.5350 -4.5350 -4.5350 -4.5350 -3.0608 -3.0608 -3.0608 -3.0608 3.7978 3.7978 3.7978 3.7978 6.2459 6.2459 6.2460 6.2460 6.5355 6.5355 6.5356 6.5356 8.2457 8.2457 8.2458 8.2458 8.7102 8.7102 8.7103 8.7103 8.9197 8.9197 8.9199 8.9199 9.5314 9.5314 9.5318 9.5318 9.9029 9.9029 9.9031 9.9031 11.6375 11.6375 11.6378 11.6378 12.2076 12.2076 12.2078 12.2078 k = 0.0000 0.3731 0.1787 ( 3496 PWs) bands (ev): -4.5145 -4.5145 -4.5145 -4.5145 -3.0959 -3.0959 -3.0958 -3.0958 3.8640 3.8640 3.8640 3.8640 6.1832 6.1832 6.1832 6.1832 6.5327 6.5327 6.5329 6.5329 8.3050 8.3050 8.3050 8.3050 8.7324 8.7324 8.7325 8.7325 8.8915 8.8915 8.8917 8.8917 9.5194 9.5194 9.5197 9.5197 9.8639 9.8639 9.8641 9.8641 11.5981 11.5981 11.5983 11.5983 12.2107 12.2107 12.2109 12.2109 k = 0.0000 0.3731 0.1899 ( 3490 PWs) bands (ev): -4.4936 -4.4936 -4.4936 -4.4936 -3.1308 -3.1308 -3.1308 -3.1308 3.9314 3.9314 3.9315 3.9315 6.1200 6.1200 6.1200 6.1200 6.5303 6.5303 6.5304 6.5304 8.3611 8.3611 8.3611 8.3611 8.7483 8.7483 8.7484 8.7484 8.8753 8.8753 8.8755 8.8755 9.5060 9.5060 9.5063 9.5063 9.8242 9.8242 9.8244 9.8244 11.5572 11.5572 11.5574 11.5574 12.2138 12.2138 12.2139 12.2139 k = 0.0000 0.3731 0.2011 ( 3490 PWs) bands (ev): -4.4726 -4.4726 -4.4726 -4.4726 -3.1652 -3.1652 -3.1651 -3.1651 3.9995 3.9995 3.9995 3.9995 6.0568 6.0568 6.0568 6.0568 6.5280 6.5280 6.5282 6.5282 8.4124 8.4124 8.4125 8.4125 8.7536 8.7536 8.7537 8.7537 8.8771 8.8771 8.8772 8.8772 9.4912 9.4912 9.4915 9.4915 9.7840 9.7840 9.7842 9.7842 11.5157 11.5157 11.5159 11.5159 12.2167 12.2167 12.2169 12.2169 k = 0.0000 0.3731 0.2122 ( 3486 PWs) bands (ev): -4.4517 -4.4517 -4.4517 -4.4517 -3.1986 -3.1986 -3.1985 -3.1985 4.0674 4.0674 4.0674 4.0674 5.9940 5.9940 5.9940 5.9940 6.5259 6.5259 6.5261 6.5261 8.4563 8.4563 8.4564 8.4564 8.7518 8.7518 8.7519 8.7519 8.8955 8.8955 8.8956 8.8956 9.4748 9.4748 9.4751 9.4751 9.7438 9.7438 9.7440 9.7440 11.4745 11.4745 11.4748 11.4748 12.2195 12.2195 12.2197 12.2197 k = 0.0000 0.3731 0.2234 ( 3484 PWs) bands (ev): -4.4314 -4.4314 -4.4313 -4.4313 -3.2306 -3.2306 -3.2305 -3.2305 4.1344 4.1344 4.1345 4.1345 5.9322 5.9322 5.9323 5.9323 6.5240 6.5240 6.5242 6.5242 8.4895 8.4895 8.4897 8.4897 8.7528 8.7528 8.7529 8.7529 8.9238 8.9238 8.9239 8.9239 9.4567 9.4567 9.4570 9.4570 9.7038 9.7038 9.7040 9.7040 11.4347 11.4347 11.4349 11.4349 12.2222 12.2222 12.2224 12.2224 k = 0.0000 0.3731 0.2346 ( 3484 PWs) bands (ev): -4.4118 -4.4118 -4.4118 -4.4118 -3.2607 -3.2607 -3.2606 -3.2606 4.1995 4.1995 4.1996 4.1996 5.8722 5.8722 5.8723 5.8723 6.5224 6.5224 6.5225 6.5225 8.5096 8.5096 8.5098 8.5098 8.7632 8.7632 8.7633 8.7633 8.9574 8.9574 8.9575 8.9575 9.4369 9.4369 9.4372 9.4372 9.6645 9.6645 9.6647 9.6647 11.3969 11.3969 11.3972 11.3972 12.2246 12.2246 12.2248 12.2248 k = 0.0000 0.3731 0.2458 ( 3476 PWs) bands (ev): -4.3936 -4.3936 -4.3935 -4.3935 -3.2883 -3.2883 -3.2882 -3.2882 4.2616 4.2616 4.2616 4.2616 5.8150 5.8150 5.8151 5.8151 6.5209 6.5209 6.5211 6.5211 8.5173 8.5173 8.5175 8.5175 8.7838 8.7838 8.7839 8.7839 8.9940 8.9940 8.9941 8.9941 9.4153 9.4153 9.4155 9.4155 9.6263 9.6263 9.6265 9.6265 11.3622 11.3622 11.3624 11.3624 12.2268 12.2268 12.2270 12.2270 k = 0.0000 0.3731 0.2569 ( 3472 PWs) bands (ev): -4.3770 -4.3770 -4.3769 -4.3769 -3.3130 -3.3130 -3.3129 -3.3129 4.3192 4.3192 4.3192 4.3192 5.7619 5.7619 5.7619 5.7619 6.5196 6.5196 6.5198 6.5198 8.5165 8.5165 8.5167 8.5167 8.8107 8.8107 8.8108 8.8108 9.0324 9.0324 9.0324 9.0324 9.3919 9.3919 9.3922 9.3922 9.5901 9.5901 9.5903 9.5903 11.3313 11.3313 11.3316 11.3316 12.2287 12.2287 12.2288 12.2288 k = 0.0000 0.3731 0.2681 ( 3480 PWs) bands (ev): -4.3625 -4.3625 -4.3625 -4.3625 -3.3341 -3.3341 -3.3340 -3.3340 4.3705 4.3705 4.3706 4.3706 5.7143 5.7143 5.7143 5.7143 6.5185 6.5185 6.5187 6.5187 8.5115 8.5115 8.5118 8.5118 8.8393 8.8393 8.8393 8.8393 9.0715 9.0715 9.0716 9.0716 9.3670 9.3670 9.3672 9.3672 9.5567 9.5567 9.5569 9.5569 11.3049 11.3049 11.3052 11.3052 12.2302 12.2302 12.2303 12.2303 k = 0.0000 0.3731 0.2793 ( 3484 PWs) bands (ev): -4.3507 -4.3507 -4.3507 -4.3507 -3.3512 -3.3512 -3.3511 -3.3511 4.4138 4.4138 4.4138 4.4138 5.6741 5.6741 5.6741 5.6741 6.5177 6.5177 6.5179 6.5179 8.5055 8.5055 8.5058 8.5058 8.8656 8.8656 8.8657 8.8657 9.1104 9.1104 9.1104 9.1104 9.3407 9.3407 9.3410 9.3410 9.5276 9.5276 9.5278 9.5278 11.2837 11.2837 11.2840 11.2840 12.2314 12.2314 12.2316 12.2316 k = 0.0000 0.3731 0.2904 ( 3480 PWs) bands (ev): -4.3419 -4.3419 -4.3419 -4.3419 -3.3638 -3.3638 -3.3637 -3.3637 4.4468 4.4468 4.4469 4.4469 5.6433 5.6433 5.6433 5.6433 6.5171 6.5171 6.5173 6.5173 8.5002 8.5002 8.5005 8.5005 8.8867 8.8867 8.8868 8.8868 9.1474 9.1474 9.1474 9.1474 9.3138 9.3138 9.3141 9.3141 9.5046 9.5046 9.5048 9.5048 11.2682 11.2682 11.2684 11.2684 12.2323 12.2323 12.2324 12.2324 k = 0.0000 0.3731 0.3016 ( 3480 PWs) bands (ev): -4.3365 -4.3365 -4.3365 -4.3365 -3.3715 -3.3715 -3.3715 -3.3715 4.4676 4.4676 4.4676 4.4676 5.6239 5.6239 5.6239 5.6239 6.5168 6.5168 6.5169 6.5169 8.4968 8.4968 8.4970 8.4970 8.9004 8.9004 8.9005 8.9005 9.1788 9.1788 9.1788 9.1788 9.2890 9.2890 9.2893 9.2893 9.4897 9.4897 9.4900 9.4900 11.2586 11.2586 11.2589 11.2589 12.2328 12.2328 12.2330 12.2330 k = 0.0000 0.3731 0.3128 ( 3484 PWs) bands (ev): -4.3347 -4.3347 -4.3346 -4.3346 -3.3742 -3.3742 -3.3741 -3.3741 4.4747 4.4747 4.4747 4.4747 5.6172 5.6172 5.6173 5.6173 6.5167 6.5167 6.5168 6.5168 8.4955 8.4955 8.4958 8.4958 8.9051 8.9051 8.9052 8.9052 9.1935 9.1935 9.1936 9.1936 9.2766 9.2766 9.2768 9.2768 9.4845 9.4845 9.4847 9.4847 11.2554 11.2554 11.2557 11.2557 12.2330 12.2330 12.2332 12.2332 k = 0.5000-0.0000 0.3128 ( 3488 PWs) bands (ev): -4.2764 -4.2764 -4.2757 -4.2757 -2.1674 -2.1674 -2.1644 -2.1644 3.5704 3.5704 3.6149 3.6149 5.2472 5.2472 5.2609 5.2609 6.4027 6.4027 6.4879 6.4879 6.5945 6.5945 6.6091 6.6091 7.7808 7.7808 7.8255 7.8255 8.5785 8.5785 8.5789 8.5789 9.0317 9.0317 9.0680 9.0680 9.8856 9.8856 9.9060 9.9060 10.7602 10.7602 10.8022 10.8022 12.3553 12.3553 12.3838 12.3838 k = 0.5000-0.0000 0.3016 ( 3488 PWs) bands (ev): -4.2769 -4.2769 -4.2762 -4.2762 -2.1666 -2.1666 -2.1636 -2.1636 3.5716 3.5716 3.6159 3.6159 5.2462 5.2462 5.2603 5.2603 6.3972 6.3972 6.4800 6.4800 6.6044 6.6044 6.6164 6.6164 7.7716 7.7716 7.8160 7.8160 8.5796 8.5796 8.5802 8.5802 9.0373 9.0373 9.0734 9.0734 9.8855 9.8855 9.9060 9.9060 10.7618 10.7618 10.8037 10.8037 12.3548 12.3548 12.3833 12.3833 k = 0.5000-0.0000 0.2904 ( 3492 PWs) bands (ev): -4.2782 -4.2782 -4.2776 -4.2776 -2.1642 -2.1642 -2.1613 -2.1613 3.5749 3.5749 3.6190 3.6190 5.2433 5.2433 5.2584 5.2584 6.3827 6.3827 6.4619 6.4619 6.6283 6.6283 6.6361 6.6361 7.7445 7.7445 7.7881 7.7881 8.5826 8.5826 8.5837 8.5837 9.0533 9.0533 9.0888 9.0888 9.8855 9.8855 9.9059 9.9059 10.7664 10.7664 10.8080 10.8080 12.3532 12.3532 12.3818 12.3818 k = 0.5000-0.0000 0.2793 ( 3496 PWs) bands (ev): -4.2805 -4.2805 -4.2799 -4.2799 -2.1603 -2.1603 -2.1573 -2.1573 3.5806 3.5806 3.6242 3.6242 5.2386 5.2386 5.2553 5.2553 6.3630 6.3630 6.4405 6.4405 6.6592 6.6592 6.6644 6.6644 7.7016 7.7016 7.7440 7.7440 8.5874 8.5874 8.5892 8.5892 9.0781 9.0781 9.1128 9.1128 9.8853 9.8853 9.9057 9.9057 10.7741 10.7741 10.8151 10.8151 12.3507 12.3507 12.3794 12.3794 k = 0.5000-0.0000 0.2681 ( 3488 PWs) bands (ev): -4.2837 -4.2837 -4.2830 -4.2830 -2.1549 -2.1549 -2.1519 -2.1519 3.5884 3.5884 3.6315 3.6315 5.2320 5.2320 5.2511 5.2511 6.3411 6.3411 6.4188 6.4188 6.6936 6.6936 6.6979 6.6979 7.6454 7.6454 7.6863 7.6863 8.5940 8.5940 8.5967 8.5967 9.1096 9.1096 9.1434 9.1434 9.8852 9.8852 9.9056 9.9056 10.7848 10.7848 10.8250 10.8250 12.3471 12.3471 12.3760 12.3760 k = 0.5000-0.0000 0.2569 ( 3484 PWs) bands (ev): -4.2876 -4.2876 -4.2870 -4.2870 -2.1480 -2.1480 -2.1451 -2.1451 3.5985 3.5985 3.6408 3.6408 5.2239 5.2239 5.2459 5.2459 6.3185 6.3185 6.3981 6.3981 6.7298 6.7298 6.7345 6.7345 7.5787 7.5787 7.6183 7.6183 8.6020 8.6020 8.6057 8.6057 9.1455 9.1455 9.1784 9.1784 9.8850 9.8850 9.9053 9.9053 10.7983 10.7983 10.8375 10.8375 12.3425 12.3425 12.3716 12.3716 k = 0.5000-0.0000 0.2458 ( 3482 PWs) bands (ev): -4.2923 -4.2923 -4.2917 -4.2917 -2.1398 -2.1398 -2.1370 -2.1370 3.6109 3.6109 3.6521 3.6521 5.2144 5.2144 5.2397 5.2397 6.2963 6.2963 6.3787 6.3787 6.7667 6.7667 6.7723 6.7723 7.5046 7.5046 7.5428 7.5428 8.6114 8.6114 8.6161 8.6161 9.1837 9.1837 9.2156 9.2156 9.8848 9.8848 9.9050 9.9050 10.8145 10.8145 10.8525 10.8525 12.3367 12.3367 12.3660 12.3660 k = 0.5000-0.0000 0.2346 ( 3486 PWs) bands (ev): -4.2977 -4.2977 -4.2971 -4.2971 -2.1305 -2.1305 -2.1277 -2.1277 3.6254 3.6254 3.6655 3.6655 5.2037 5.2037 5.2328 5.2328 6.2748 6.2748 6.3606 6.3606 6.8026 6.8026 6.8096 6.8096 7.4261 7.4261 7.4629 7.4629 8.6222 8.6222 8.6280 8.6280 9.2224 9.2224 9.2535 9.2535 9.8845 9.8845 9.9046 9.9046 10.8332 10.8332 10.8698 10.8698 12.3297 12.3297 12.3594 12.3594 k = 0.5000-0.0000 0.2234 ( 3492 PWs) bands (ev): -4.3036 -4.3036 -4.3031 -4.3031 -2.1200 -2.1200 -2.1174 -2.1174 3.6421 3.6421 3.6809 3.6809 5.1921 5.1921 5.2254 5.2254 6.2542 6.2542 6.3439 6.3439 6.8356 6.8356 6.8440 6.8440 7.3472 7.3472 7.3824 7.3824 8.6342 8.6342 8.6411 8.6411 9.2605 9.2605 9.2907 9.2907 9.8841 9.8841 9.9041 9.9041 10.8541 10.8541 10.8891 10.8891 12.3216 12.3216 12.3515 12.3515 k = 0.5000-0.0000 0.2122 ( 3494 PWs) bands (ev): -4.3101 -4.3101 -4.3096 -4.3096 -2.1087 -2.1087 -2.1061 -2.1061 3.6609 3.6609 3.6982 3.6982 5.1799 5.1799 5.2176 5.2176 6.2342 6.2342 6.3283 6.3283 6.8615 6.8615 6.8708 6.8708 7.2736 7.2736 7.3063 7.3063 8.6474 8.6474 8.6555 8.6555 9.2969 9.2969 9.3262 9.3262 9.8837 9.8837 9.9036 9.9036 10.8771 10.8771 10.9103 10.9103 12.3121 12.3121 12.3423 12.3423 k = 0.5000-0.0000 0.2011 ( 3490 PWs) bands (ev): -4.3170 -4.3170 -4.3164 -4.3164 -2.0965 -2.0965 -2.0940 -2.0940 3.6818 3.6818 3.7174 3.7174 5.1672 5.1672 5.2097 5.2097 6.2146 6.2146 6.3135 6.3135 6.8730 6.8730 6.8817 6.8817 7.2149 7.2149 7.2431 7.2431 8.6618 8.6618 8.6711 8.6711 9.3311 9.3311 9.3596 9.3596 9.8833 9.8833 9.9029 9.9029 10.9019 10.9019 10.9332 10.9332 12.3012 12.3012 12.3317 12.3317 k = 0.5000-0.0000 0.1899 ( 3494 PWs) bands (ev): -4.3241 -4.3241 -4.3236 -4.3236 -2.0838 -2.0838 -2.0814 -2.0814 3.7047 3.7047 3.7384 3.7384 5.1545 5.1545 5.2019 5.2019 6.1948 6.1948 6.2991 6.2991 6.8597 6.8597 6.8651 6.8651 7.1837 7.1837 7.2042 7.2042 8.6772 8.6772 8.6877 8.6877 9.3626 9.3626 9.3903 9.3903 9.8828 9.8828 9.9022 9.9022 10.9282 10.9282 10.9575 10.9575 12.2886 12.2886 12.3194 12.3194 k = 0.5000-0.0000 0.1787 ( 3498 PWs) bands (ev): -4.3315 -4.3315 -4.3311 -4.3311 -2.0706 -2.0706 -2.0683 -2.0683 3.7295 3.7295 3.7612 3.7612 5.1420 5.1420 5.1945 5.1945 6.1741 6.1741 6.2844 6.2844 6.8166 6.8166 6.8184 6.8184 7.1837 7.1837 7.1956 7.1956 8.6936 8.6936 8.7052 8.7052 9.3913 9.3913 9.4182 9.4182 9.8823 9.8823 9.9013 9.9013 10.9558 10.9558 10.9831 10.9831 12.2742 12.2742 12.3050 12.3050 k = 0.5000-0.0000 0.1676 ( 3496 PWs) bands (ev): -4.3390 -4.3390 -4.3386 -4.3386 -2.0571 -2.0571 -2.0549 -2.0549 3.7560 3.7560 3.7856 3.7856 5.1301 5.1301 5.1878 5.1878 6.1514 6.1514 6.2685 6.2685 6.7518 6.7518 6.7530 6.7530 7.2050 7.2050 7.2104 7.2104 8.7108 8.7108 8.7235 8.7235 9.4170 9.4170 9.4431 9.4431 9.8817 9.8817 9.9003 9.9003 10.9844 10.9844 11.0096 11.0096 12.2576 12.2576 12.2880 12.2880 k = 0.5000-0.0000 0.1564 ( 3496 PWs) bands (ev): -4.3465 -4.3465 -4.3461 -4.3461 -2.0436 -2.0436 -2.0415 -2.0415 3.7842 3.7842 3.8115 3.8115 5.1190 5.1190 5.1820 5.1820 6.1253 6.1253 6.2502 6.2502 6.6772 6.6772 6.6810 6.6810 7.2369 7.2369 7.2381 7.2381 8.7287 8.7287 8.7424 8.7424 9.4399 9.4399 9.4650 9.4650 9.8811 9.8811 9.8991 9.8991 11.0139 11.0139 11.0370 11.0370 12.2382 12.2382 12.2677 12.2677 k = 0.5000-0.0000 0.1452 ( 3492 PWs) bands (ev): -4.3540 -4.3540 -4.3536 -4.3536 -2.0301 -2.0301 -2.0281 -2.0281 3.8138 3.8138 3.8386 3.8386 5.1090 5.1090 5.1776 5.1776 6.0941 6.0941 6.2271 6.2271 6.6018 6.6018 6.6103 6.6103 7.2721 7.2721 7.2736 7.2736 8.7472 8.7472 8.7617 8.7617 9.4599 9.4599 9.4840 9.4840 9.8804 9.8804 9.8979 9.8979 11.0440 11.0440 11.0651 11.0651 12.2153 12.2153 12.2430 12.2430 k = 0.5000-0.0000 0.1340 ( 3490 PWs) bands (ev): -4.3612 -4.3612 -4.3609 -4.3609 -2.0168 -2.0168 -2.0150 -2.0150 3.8446 3.8446 3.8667 3.8667 5.1006 5.1006 5.1747 5.1747 6.0559 6.0559 6.1963 6.1963 6.5323 6.5323 6.5458 6.5458 7.3087 7.3087 7.3119 7.3119 8.7660 8.7660 8.7812 8.7812 9.4772 9.4772 9.5004 9.5004 9.8798 9.8798 9.8966 9.8966 11.0746 11.0746 11.0938 11.0938 12.1880 12.1880 12.2124 12.2124 k = 0.5000-0.0000 0.1229 ( 3482 PWs) bands (ev): -4.3683 -4.3683 -4.3679 -4.3679 -2.0039 -2.0039 -2.0022 -2.0022 3.8761 3.8761 3.8956 3.8956 5.0942 5.0942 5.1739 5.1739 6.0093 6.0093 6.1545 6.1545 6.4739 6.4739 6.4905 6.4905 7.3460 7.3460 7.3504 7.3504 8.7849 8.7849 8.8007 8.8007 9.4922 9.4922 9.5142 9.5142 9.8792 9.8792 9.8951 9.8951 11.1057 11.1057 11.1231 11.1231 12.1555 12.1555 12.1750 12.1750 k = 0.5000-0.0000 0.1117 ( 3486 PWs) bands (ev): -4.3749 -4.3749 -4.3746 -4.3746 -1.9916 -1.9916 -1.9900 -1.9900 3.9082 3.9082 3.9248 3.9248 5.0900 5.0900 5.1753 5.1753 5.9540 5.9540 6.1002 6.1002 6.4294 6.4294 6.4459 6.4459 7.3827 7.3827 7.3878 7.3878 8.8038 8.8038 8.8197 8.8197 9.5048 9.5048 9.5257 9.5257 9.8785 9.8785 9.8936 9.8936 11.1371 11.1371 11.1528 11.1528 12.1172 12.1172 12.1309 12.1309 k = 0.5000-0.0000 0.1005 ( 3488 PWs) bands (ev): -4.3812 -4.3812 -4.3809 -4.3809 -1.9800 -1.9800 -1.9786 -1.9786 3.9402 3.9402 3.9540 3.9540 5.0886 5.0886 5.1795 5.1795 5.8910 5.8910 6.0352 6.0352 6.3980 6.3980 6.4116 6.4116 7.4180 7.4180 7.4234 7.4234 8.8222 8.8222 8.8381 8.8381 9.5155 9.5155 9.5350 9.5350 9.8779 9.8779 9.8919 9.8919 11.1688 11.1688 11.1829 11.1829 12.0736 12.0736 12.0814 12.0814 k = 0.5000-0.0000 0.0894 ( 3500 PWs) bands (ev): -4.3870 -4.3870 -4.3868 -4.3868 -1.9692 -1.9692 -1.9679 -1.9679 3.9716 3.9716 3.9827 3.9827 5.0905 5.0905 5.1868 5.1868 5.8226 5.8226 5.9632 5.9632 6.3764 6.3764 6.3860 6.3860 7.4511 7.4511 7.4566 7.4566 8.8401 8.8401 8.8556 8.8556 9.5243 9.5243 9.5423 9.5423 9.8773 9.8773 9.8901 9.8901 11.2007 11.2007 11.2134 11.2134 12.0258 12.0258 12.0287 12.0287 k = 0.5000-0.0000 0.0782 ( 3488 PWs) bands (ev): -4.3923 -4.3923 -4.3921 -4.3921 -1.9593 -1.9593 -1.9582 -1.9582 4.0019 4.0019 4.0104 4.0104 5.0961 5.0961 5.1975 5.1975 5.7512 5.7512 5.8881 5.8881 6.3614 6.3614 6.3673 6.3673 7.4818 7.4818 7.4871 7.4871 8.8571 8.8571 8.8718 8.8718 9.5316 9.5316 9.5481 9.5481 9.8768 9.8768 9.8884 9.8884 11.2329 11.2329 11.2443 11.2443 11.9749 11.9749 11.9756 11.9756 k = 0.5000-0.0000 0.0670 ( 3476 PWs) bands (ev): -4.3969 -4.3969 -4.3967 -4.3967 -1.9506 -1.9506 -1.9496 -1.9496 4.0302 4.0302 4.0364 4.0364 5.1060 5.1060 5.2121 5.2121 5.6790 5.6790 5.8126 5.8126 6.3509 6.3509 6.3538 6.3538 7.5093 7.5093 7.5142 7.5142 8.8728 8.8728 8.8865 8.8865 9.5377 9.5377 9.5523 9.5523 9.8765 9.8765 9.8867 9.8867 11.2651 11.2651 11.2753 11.2753 11.9216 11.9216 11.9248 11.9248 k = 0.5000-0.0000 0.0559 ( 3480 PWs) bands (ev): -4.4010 -4.4010 -4.4008 -4.4008 -1.9429 -1.9429 -1.9421 -1.9421 4.0559 4.0559 4.0600 4.0600 5.1207 5.1207 5.2307 5.2307 5.6081 5.6081 5.7387 5.7387 6.3432 6.3432 6.3442 6.3442 7.5334 7.5334 7.5378 7.5378 8.8871 8.8871 8.8992 8.8992 9.5426 9.5426 9.5551 9.5551 9.8763 9.8763 9.8850 9.8850 11.2969 11.2969 11.3060 11.3060 11.8704 11.8704 11.8751 11.8751 k = 0.5000-0.0000 0.0447 ( 3484 PWs) bands (ev): -4.4043 -4.4043 -4.4042 -4.4042 -1.9366 -1.9366 -1.9359 -1.9359 4.0781 4.0781 4.0807 4.0807 5.1407 5.1407 5.2532 5.2532 5.5404 5.5404 5.6678 5.6678 6.3374 6.3374 6.3377 6.3377 7.5537 7.5537 7.5573 7.5573 8.8995 8.8995 8.9098 8.9098 9.5465 9.5465 9.5569 9.5569 9.8762 9.8762 9.8833 9.8833 11.3278 11.3278 11.3358 11.3358 11.8229 11.8229 11.8282 11.8282 k = 0.5000-0.0000 0.0335 ( 3484 PWs) bands (ev): -4.4069 -4.4069 -4.4068 -4.4068 -1.9315 -1.9315 -1.9310 -1.9310 4.0962 4.0962 4.0976 4.0976 5.1662 5.1662 5.2784 5.2784 5.4787 5.4787 5.6011 5.6011 6.3329 6.3329 6.3336 6.3336 7.5699 7.5699 7.5727 7.5727 8.9099 8.9099 8.9179 8.9179 9.5497 9.5497 9.5577 9.5577 9.8763 9.8763 9.8818 9.8818 11.3568 11.3568 11.3635 11.3635 11.7809 11.7809 11.7860 11.7860 k = 0.5000-0.0000 0.0223 ( 3486 PWs) bands (ev): -4.4088 -4.4088 -4.4088 -4.4088 -1.9279 -1.9279 -1.9275 -1.9275 4.1096 4.1096 4.1103 4.1103 5.1973 5.1973 5.3010 5.3010 5.4295 5.4295 5.5395 5.5395 6.3300 6.3300 6.3308 6.3308 7.5818 7.5818 7.5837 7.5837 8.9179 8.9179 8.9235 8.9235 9.5523 9.5523 9.5577 9.5577 9.8767 9.8767 9.8804 9.8804 11.3818 11.3818 11.3868 11.3868 11.7470 11.7470 11.7512 11.7512 k = 0.5000-0.0000 0.0112 ( 3482 PWs) bands (ev): -4.4100 -4.4100 -4.4099 -4.4099 -1.9256 -1.9256 -1.9254 -1.9254 4.1178 4.1178 4.1181 4.1181 5.2332 5.2332 5.3017 5.3017 5.4129 5.4129 5.4844 5.4844 6.3286 6.3286 6.3291 6.3291 7.5892 7.5892 7.5902 7.5902 8.9235 8.9235 8.9263 8.9263 9.5544 9.5544 9.5571 9.5571 9.8773 9.8773 9.8792 9.8792 11.3999 11.3999 11.4027 11.4027 11.7246 11.7246 11.7271 11.7271 k = 0.5000-0.0000-0.0000 ( 3474 PWs) bands (ev): -4.4104 -4.4104 -4.4103 -4.4103 -1.9248 -1.9248 -1.9248 -1.9248 4.1206 4.1206 4.1207 4.1207 5.2715 5.2715 5.2715 5.2715 5.4387 5.4387 5.4388 5.4388 6.3283 6.3283 6.3284 6.3284 7.5920 7.5920 7.5921 7.5921 8.9262 8.9262 8.9264 8.9264 9.5558 9.5558 9.5562 9.5562 9.8779 9.8779 9.8783 9.8783 11.4074 11.4074 11.4077 11.4077 11.7174 11.7174 11.7177 11.7177 k = 0.5000 0.3731-0.0000 ( 3488 PWs) bands (ev): -4.0218 -4.0218 -4.0206 -4.0206 -2.5110 -2.5110 -2.5041 -2.5041 4.4779 4.4779 4.5205 4.5205 4.5691 4.5691 4.6119 4.6119 5.5659 5.5659 5.7419 5.7419 6.1272 6.1272 6.3091 6.3091 7.0653 7.0653 7.1125 7.1125 9.3555 9.3555 9.4161 9.4161 9.6301 9.6301 9.6590 9.6590 9.9113 9.9113 9.9293 9.9293 11.4026 11.4026 11.4227 11.4227 11.9004 11.9004 12.0210 12.0210 k = 0.5000 0.3731 0.0112 ( 3488 PWs) bands (ev): -4.0214 -4.0214 -4.0202 -4.0202 -2.5112 -2.5112 -2.5043 -2.5043 4.4639 4.4639 4.5245 4.5245 4.5539 4.5539 4.6144 4.6144 5.5761 5.5761 5.7501 5.7501 6.1326 6.1326 6.3137 6.3137 7.0660 7.0660 7.1132 7.1132 9.3562 9.3562 9.4165 9.4165 9.6296 9.6296 9.6582 9.6582 9.9113 9.9113 9.9293 9.9293 11.4029 11.4029 11.4230 11.4230 11.8997 11.8997 12.0201 12.0201 k = 0.5000 0.3731 0.0223 ( 3488 PWs) bands (ev): -4.0205 -4.0205 -4.0193 -4.0193 -2.5118 -2.5118 -2.5049 -2.5049 4.4323 4.4323 4.5190 4.5190 4.5270 4.5270 4.6126 4.6126 5.6059 5.6059 5.7742 5.7742 6.1483 6.1483 6.3272 6.3272 7.0683 7.0683 7.1154 7.1154 9.3580 9.3580 9.4179 9.4179 9.6279 9.6279 9.6555 9.6555 9.9112 9.9112 9.9292 9.9292 11.4041 11.4041 11.4238 11.4238 11.8975 11.8975 12.0175 12.0175 k = 0.5000 0.3731 0.0335 ( 3488 PWs) bands (ev): -4.0189 -4.0189 -4.0177 -4.0177 -2.5128 -2.5128 -2.5060 -2.5060 4.3914 4.3914 4.4732 4.4732 4.5210 4.5210 4.6004 4.6004 5.6530 5.6530 5.8131 5.8131 6.1736 6.1736 6.3490 6.3490 7.0720 7.0720 7.1190 7.1190 9.3611 9.3611 9.4203 9.4203 9.6251 9.6251 9.6512 9.6512 9.9110 9.9110 9.9292 9.9292 11.4061 11.4061 11.4252 11.4252 11.8939 11.8939 12.0130 12.0130 k = 0.5000 0.3731 0.0447 ( 3488 PWs) bands (ev): -4.0166 -4.0166 -4.0154 -4.0154 -2.5143 -2.5143 -2.5075 -2.5075 4.3445 4.3445 4.4206 4.4206 4.5060 4.5060 4.5779 4.5779 5.7147 5.7147 5.8653 5.8653 6.2072 6.2072 6.3783 6.3783 7.0773 7.0773 7.1241 7.1241 9.3654 9.3654 9.4233 9.4233 9.6212 9.6212 9.6452 9.6452 9.9108 9.9108 9.9292 9.9292 11.4091 11.4091 11.4273 11.4273 11.8888 11.8888 12.0068 12.0068 k = 0.5000 0.3731 0.0559 ( 3484 PWs) bands (ev): -4.0138 -4.0138 -4.0126 -4.0126 -2.5161 -2.5161 -2.5094 -2.5094 4.2934 4.2934 4.3638 4.3638 4.4826 4.4826 4.5464 4.5464 5.7879 5.7879 5.9287 5.9287 6.2477 6.2477 6.4137 6.4137 7.0842 7.0842 7.1307 7.1307 9.3708 9.3708 9.4271 9.4271 9.6165 9.6165 9.6375 9.6375 9.9106 9.9106 9.9292 9.9292 11.4131 11.4131 11.4303 11.4303 11.8822 11.8822 11.9988 11.9988 k = 0.5000 0.3731 0.0670 ( 3488 PWs) bands (ev): -4.0104 -4.0104 -4.0092 -4.0092 -2.5182 -2.5182 -2.5117 -2.5117 4.2399 4.2399 4.3046 4.3046 4.4521 4.4521 4.5079 4.5079 5.8703 5.8703 6.0016 6.0016 6.2935 6.2935 6.4541 6.4541 7.0929 7.0929 7.1389 7.1389 9.3772 9.3772 9.4313 9.4313 9.6111 9.6111 9.6284 9.6284 9.9103 9.9103 9.9292 9.9292 11.4183 11.4183 11.4341 11.4341 11.8742 11.8742 11.9890 11.9890 k = 0.5000 0.3731 0.0782 ( 3484 PWs) bands (ev): -4.0064 -4.0064 -4.0053 -4.0053 -2.5207 -2.5207 -2.5143 -2.5143 4.1852 4.1852 4.2446 4.2446 4.4157 4.4157 4.4639 4.4639 5.9596 5.9596 6.0820 6.0820 6.3433 6.3433 6.4982 6.4982 7.1034 7.1034 7.1487 7.1487 9.3844 9.3844 9.4355 9.4355 9.6053 9.6053 9.6179 9.6179 9.9100 9.9100 9.9291 9.9291 11.4250 11.4250 11.4392 11.4392 11.8648 11.8648 11.9775 11.9775 k = 0.5000 0.3731 0.0894 ( 3480 PWs) bands (ev): -4.0019 -4.0019 -4.0009 -4.0009 -2.5236 -2.5236 -2.5173 -2.5173 4.1304 4.1304 4.1850 4.1850 4.3748 4.3748 4.4160 4.4160 6.0542 6.0542 6.1685 6.1685 6.3957 6.3957 6.5448 6.5448 7.1159 7.1159 7.1603 7.1603 9.3922 9.3922 9.4391 9.4391 9.5997 9.5997 9.6063 9.6063 9.9097 9.9097 9.9291 9.9291 11.4332 11.4332 11.4456 11.4456 11.8539 11.8539 11.9641 11.9641 k = 0.5000 0.3731 0.1005 ( 3484 PWs) bands (ev): -3.9971 -3.9971 -3.9960 -3.9960 -2.5267 -2.5267 -2.5206 -2.5206 4.0763 4.0763 4.1265 4.1265 4.3305 4.3305 4.3653 4.3653 6.1525 6.1525 6.2593 6.2593 6.4498 6.4498 6.5928 6.5928 7.1306 7.1306 7.1737 7.1737 9.3999 9.3999 9.4414 9.4414 9.5941 9.5941 9.5949 9.5949 9.9093 9.9093 9.9291 9.9291 11.4433 11.4433 11.4536 11.4536 11.8416 11.8416 11.9491 11.9491 k = 0.5000 0.3731 0.1117 ( 3480 PWs) bands (ev): -3.9918 -3.9918 -3.9908 -3.9908 -2.5302 -2.5302 -2.5242 -2.5242 4.0235 4.0235 4.0698 4.0698 4.2838 4.2838 4.3130 4.3130 6.2533 6.2533 6.3530 6.3530 6.5045 6.5045 6.6415 6.6415 7.1479 7.1479 7.1890 7.1890 9.4066 9.4066 9.4413 9.4413 9.5822 9.5822 9.5919 9.5919 9.9090 9.9090 9.9290 9.9290 11.4556 11.4556 11.4635 11.4635 11.8280 11.8280 11.9324 11.9324 k = 0.5000 0.3731 0.1229 ( 3484 PWs) bands (ev): -3.9861 -3.9861 -3.9852 -3.9852 -2.5338 -2.5338 -2.5281 -2.5281 3.9727 3.9727 4.0155 4.0155 4.2357 4.2357 4.2598 4.2598 6.3550 6.3550 6.4477 6.4477 6.5594 6.5594 6.6904 6.6904 7.1678 7.1678 7.2065 7.2065 9.4108 9.4108 9.4375 9.4375 9.5718 9.5718 9.5918 9.5918 9.9087 9.9087 9.9289 9.9289 11.4702 11.4702 11.4756 11.4756 11.8132 11.8132 11.9141 11.9141 k = 0.5000 0.3731 0.1340 ( 3480 PWs) bands (ev): -3.9802 -3.9802 -3.9793 -3.9793 -2.5377 -2.5377 -2.5322 -2.5322 3.9242 3.9242 3.9639 3.9639 4.1869 4.1869 4.2064 4.2064 6.4555 6.4555 6.5412 6.5412 6.6148 6.6148 6.7399 6.7399 7.1909 7.1909 7.2264 7.2264 9.4106 9.4106 9.4293 9.4293 9.5651 9.5651 9.5952 9.5952 9.9085 9.9085 9.9288 9.9288 11.4876 11.4876 11.4902 11.4902 11.7972 11.7972 11.8944 11.8944 k = 0.5000 0.3731 0.1452 ( 3484 PWs) bands (ev): -3.9741 -3.9741 -3.9732 -3.9732 -2.5417 -2.5417 -2.5365 -2.5365 3.8784 3.8784 3.9153 3.9153 4.1380 4.1380 4.1535 4.1535 6.5511 6.5511 6.6295 6.6295 6.6728 6.6728 6.7918 6.7918 7.2175 7.2175 7.2489 7.2489 9.4037 9.4037 9.4162 9.4162 9.5638 9.5638 9.6022 9.6022 9.9083 9.9083 9.9288 9.9288 11.5075 11.5075 11.5080 11.5080 11.7802 11.7802 11.8734 11.8734 k = 0.5000 0.3731 0.1564 ( 3476 PWs) bands (ev): -3.9678 -3.9678 -3.9670 -3.9670 -2.5458 -2.5458 -2.5409 -2.5409 3.8355 3.8355 3.8700 3.8700 4.0895 4.0895 4.1014 4.1014 6.6344 6.6344 6.7068 6.7068 6.7392 6.7392 6.8502 6.8502 7.2482 7.2482 7.2745 7.2745 9.3894 9.3894 9.3986 9.3986 9.5686 9.5686 9.6124 9.6124 9.9082 9.9082 9.9287 9.9287 11.5279 11.5279 11.5318 11.5318 11.7625 11.7625 11.8514 11.8514 k = 0.5000 0.3731 0.1676 ( 3472 PWs) bands (ev): -3.9615 -3.9615 -3.9608 -3.9608 -2.5500 -2.5500 -2.5453 -2.5453 3.7959 3.7959 3.8281 3.8281 4.0419 4.0419 4.0507 4.0507 6.6987 6.6987 6.7676 6.7676 6.8186 6.8186 6.9183 6.9183 7.2839 7.2839 7.3037 7.3037 9.3681 9.3681 9.3766 9.3766 9.5787 9.5787 9.6251 9.6251 9.9081 9.9081 9.9286 9.9286 11.5517 11.5517 11.5590 11.5590 11.7443 11.7443 11.8287 11.8287 k = 0.5000 0.3731 0.1787 ( 3472 PWs) bands (ev): -3.9553 -3.9553 -3.9546 -3.9546 -2.5542 -2.5542 -2.5498 -2.5498 3.7597 3.7597 3.7898 3.7898 3.9957 3.9957 4.0016 4.0016 6.7476 6.7476 6.8127 6.8127 6.9056 6.9056 6.9927 6.9927 7.3258 7.3258 7.3375 7.3375 9.3412 9.3412 9.3507 9.3507 9.5927 9.5927 9.6396 9.6396 9.9081 9.9081 9.9284 9.9284 11.5790 11.5790 11.5898 11.5898 11.7261 11.7261 11.8056 11.8056 k = 0.5000 0.3731 0.1899 ( 3480 PWs) bands (ev): -3.9491 -3.9491 -3.9484 -3.9484 -2.5583 -2.5583 -2.5542 -2.5542 3.7270 3.7270 3.7553 3.7553 3.9511 3.9511 3.9544 3.9544 6.7874 6.7874 6.8472 6.8472 6.9915 6.9915 7.0657 7.0657 7.3756 7.3756 7.3774 7.3774 9.3095 9.3095 9.3213 9.3213 9.6091 9.6091 9.6552 9.6552 9.9081 9.9081 9.9282 9.9282 11.6095 11.6095 11.6235 11.6235 11.7093 11.7093 11.7831 11.7831 k = 0.5000 0.3731 0.2011 ( 3468 PWs) bands (ev): -3.9431 -3.9431 -3.9425 -3.9425 -2.5623 -2.5623 -2.5586 -2.5586 3.6980 3.6980 3.7247 3.7247 3.9085 3.9085 3.9095 3.9095 6.8211 6.8211 6.8746 6.8746 7.0704 7.0704 7.1311 7.1311 7.4249 7.4249 7.4347 7.4347 9.2743 9.2743 9.2887 9.2887 9.6270 9.6270 9.6712 9.6712 9.9084 9.9084 9.9280 9.9280 11.6422 11.6422 11.6541 11.6541 11.7002 11.7002 11.7627 11.7627 k = 0.5000 0.3731 0.2122 ( 3468 PWs) bands (ev): -3.9373 -3.9373 -3.9368 -3.9368 -2.5662 -2.5662 -2.5628 -2.5628 3.6728 3.6728 3.6979 3.6979 3.8669 3.8669 3.8680 3.8680 6.8500 6.8500 6.8969 6.8969 7.1387 7.1387 7.1859 7.1859 7.4816 7.4816 7.5029 7.5029 9.2360 9.2360 9.2532 9.2532 9.6454 9.6454 9.6872 9.6872 9.9086 9.9086 9.9276 9.9276 11.6574 11.6574 11.6714 11.6714 11.7235 11.7235 11.7508 11.7508 k = 0.5000 0.3731 0.2234 ( 3468 PWs) bands (ev): -3.9320 -3.9320 -3.9315 -3.9315 -2.5698 -2.5698 -2.5667 -2.5667 3.6514 3.6514 3.6751 3.6751 3.8271 3.8271 3.8301 3.8301 6.8750 6.8750 6.9153 6.9153 7.1947 7.1947 7.2303 7.2303 7.5471 7.5471 7.5780 7.5780 9.1954 9.1954 9.2152 9.2152 9.6637 9.6637 9.7026 9.7026 9.9091 9.9091 9.9273 9.9273 11.6442 11.6442 11.6803 11.6803 11.7644 11.7644 11.7690 11.7690 k = 0.5000 0.3731 0.2346 ( 3464 PWs) bands (ev): -3.9270 -3.9270 -3.9266 -3.9266 -2.5732 -2.5732 -2.5704 -2.5704 3.6339 3.6339 3.6562 3.6562 3.7900 3.7900 3.7948 3.7948 6.8963 6.8963 6.9305 6.9305 7.2391 7.2391 7.2656 7.2656 7.6192 7.6192 7.6562 7.6562 9.1533 9.1533 9.1752 9.1752 9.6815 9.6815 9.7169 9.7169 9.9097 9.9097 9.9268 9.9268 11.6293 11.6293 11.6687 11.6687 11.8044 11.8044 11.8219 11.8219 k = 0.5000 0.3731 0.2458 ( 3472 PWs) bands (ev): -3.9225 -3.9225 -3.9222 -3.9222 -2.5762 -2.5762 -2.5738 -2.5738 3.6204 3.6204 3.6414 3.6414 3.7559 3.7559 3.7623 3.7623 6.9145 6.9145 6.9428 6.9428 7.2738 7.2738 7.2937 7.2937 7.6942 7.6942 7.7339 7.7339 9.1106 9.1106 9.1338 9.1338 9.6981 9.6981 9.7297 9.7297 9.9105 9.9105 9.9262 9.9262 11.6154 11.6154 11.6517 11.6517 11.8557 11.8557 11.8797 11.8797 k = 0.5000 0.3731 0.2569 ( 3476 PWs) bands (ev): -3.9186 -3.9186 -3.9183 -3.9183 -2.5788 -2.5788 -2.5768 -2.5768 3.6108 3.6108 3.6306 3.6306 3.7250 3.7250 3.7328 3.7328 6.9297 6.9297 6.9526 6.9526 7.3010 7.3010 7.3160 7.3160 7.7683 7.7683 7.8076 7.8076 9.0688 9.0688 9.0923 9.0923 9.7134 9.7134 9.7406 9.7406 9.9115 9.9115 9.9255 9.9255 11.6032 11.6032 11.6345 11.6345 11.9131 11.9131 11.9416 11.9416 k = 0.5000 0.3731 0.2681 ( 3468 PWs) bands (ev): -3.9153 -3.9153 -3.9151 -3.9151 -2.5809 -2.5809 -2.5793 -2.5793 3.6051 3.6051 3.6237 3.6237 3.6973 3.6973 3.7065 3.7065 6.9422 6.9422 6.9601 6.9601 7.3220 7.3220 7.3332 7.3332 7.8378 7.8378 7.8739 7.8739 9.0298 9.0298 9.0522 9.0522 9.7269 9.7269 9.7494 9.7494 9.9128 9.9128 9.9246 9.9246 11.5933 11.5933 11.6188 11.6188 11.9747 11.9747 12.0065 12.0065 k = 0.5000 0.3731 0.2793 ( 3456 PWs) bands (ev): -3.9127 -3.9127 -3.9125 -3.9125 -2.5826 -2.5826 -2.5814 -2.5814 3.6033 3.6033 3.6208 3.6208 3.6731 3.6731 3.6836 3.6836 6.9523 6.9523 6.9654 6.9654 7.3379 7.3379 7.3459 7.3459 7.8991 7.8991 7.9295 7.9295 8.9959 8.9959 9.0155 9.0155 9.7384 9.7384 9.7557 9.7557 9.9143 9.9143 9.9236 9.9236 11.5859 11.5859 11.6053 11.6053 12.0389 12.0389 12.0725 12.0725 k = 0.5000 0.3731 0.2904 ( 3460 PWs) bands (ev): -3.9108 -3.9108 -3.9106 -3.9106 -2.5838 -2.5838 -2.5830 -2.5830 3.6054 3.6054 3.6217 3.6217 3.6523 3.6523 3.6640 3.6640 6.9599 6.9599 6.9686 6.9686 7.3492 7.3492 7.3544 7.3544 7.9487 7.9487 7.9708 7.9708 8.9700 8.9700 8.9846 8.9846 9.7476 9.7476 9.7594 9.7594 9.9159 9.9159 9.9223 9.9223 11.5814 11.5814 11.5944 11.5944 12.1027 12.1027 12.1353 12.1353 k = 0.5000 0.3731 0.3016 ( 3460 PWs) bands (ev): -3.9096 -3.9096 -3.9095 -3.9095 -2.5844 -2.5844 -2.5840 -2.5840 3.6114 3.6114 3.6261 3.6261 3.6356 3.6356 3.6481 3.6481 6.9653 6.9653 6.9696 6.9696 7.3564 7.3564 7.3590 7.3590 7.9829 7.9829 7.9946 7.9946 8.9548 8.9548 8.9627 8.9627 9.7544 9.7544 9.7604 9.7604 9.9176 9.9176 9.9209 9.9209 11.5799 11.5799 11.5865 11.5865 12.1603 12.1603 12.1842 12.1842 k = 0.5000 0.3731 0.3128 ( 3456 PWs) bands (ev): -3.9092 -3.9092 -3.9092 -3.9092 -2.5845 -2.5845 -2.5844 -2.5844 3.6209 3.6209 3.6209 3.6209 3.6359 3.6359 3.6359 3.6359 6.9685 6.9685 6.9686 6.9686 7.3596 7.3596 7.3597 7.3597 7.9987 7.9987 7.9987 7.9987 8.9521 8.9521 8.9524 8.9524 9.7585 9.7585 9.7589 9.7589 9.9191 9.9191 9.9195 9.9195 11.5816 11.5816 11.5817 11.5817 12.1952 12.1952 12.1954 12.1954 Writing output data file FeSe2.save init_run : 0.38s CPU 0.56s WALL ( 1 calls) electrons : 314.18s CPU 317.56s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 314.17s CPU 317.55s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.04s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.03s WALL ( 1 calls) newd : 0.08s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 432 calls) cegterg : 289.97s CPU 292.77s WALL ( 548 calls) Called by sum_band: Called by *egterg: h_psi : 197.13s CPU 203.44s WALL ( 9781 calls) s_psi : 11.97s CPU 12.29s WALL ( 9781 calls) g_psi : 0.38s CPU 0.42s WALL ( 8801 calls) cdiaghg : 67.20s CPU 64.70s WALL ( 9233 calls) cegterg:over : 15.69s CPU 13.71s WALL ( 8801 calls) cegterg:upda : 3.94s CPU 6.56s WALL ( 8801 calls) cegterg:last : 4.64s CPU 5.49s WALL ( 2110 calls) Called by h_psi: h_psi:vloc : 183.56s CPU 186.17s WALL ( 9781 calls) h_psi:vnl : 13.50s CPU 16.97s WALL ( 9781 calls) add_vuspsi : 6.07s CPU 8.40s WALL ( 9781 calls) General routines calbec : 7.43s CPU 8.54s WALL ( 9781 calls) fft : 0.03s CPU 0.06s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 182.74s CPU 180.79s WALL ( 1247240 calls) interpolate : 0.00s CPU 0.01s WALL ( 4 calls) davcio : 0.11s CPU 0.18s WALL ( 864 calls) Parallel routines fft_scatter : 177.19s CPU 137.76s WALL ( 1247263 calls) PWSCF : 5m44.15s CPU 6m 0.78s WALL This run was terminated on: 16:42:29 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=