Program PWSCF v.5.1.1 starts on 13Dec2015 at 23:15:53 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SbSI.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 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 50 44 12 3170 2664 400 Max 52 45 13 3175 2685 409 Sum 2421 2155 611 152199 128347 19421 bravais-lattice index = 14 lattice parameter (alat) = 7.7687 a.u. unit-cell volume = 2393.8041 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 72.00 number of Kohn-Sham states= 86 kinetic-energy cutoff = 54.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.768664 celldm(2)= 2.073218 celldm(3)= 2.462661 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 2.073218 0.000000 ) a(3) = ( 0.000000 0.000000 2.462661 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.482342 -0.000000 ) b(3) = ( 0.000000 0.000000 0.406065 ) PseudoPot. # 1 for S read from file: /home/autes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 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 1151 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 Sb read from file: /home/autes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for I read from file: /home/autes/Pseudo/I_MT_PBE_v_3_oleg_edit.UPF MD5 check sum: 1ab4f4b5fa7db8de97d041ab18f0a614 Pseudo is Norm-conserving, Zval = 7.0 Generated using "atomic" code by A. Dal Corso (Quantum ESPRESSO distribution) Using radial grid of 1247 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Sb 5.00 121.76000 Sb( 1.00) I 7.00 126.90450 I( 1.00) 4 Sym. Ops. (no inversion) found ( 3 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 3 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 3) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( -0.5000000 ) cart. s( 3) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0366091 ) ( 0.0000000 0.0000000 -1.0000000 ) ( -1.2313306 ) isym = 4 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0366091 ) ( 0.0000000 0.0000000 1.0000000 ) ( 1.2313306 ) double point group C_2v (mm2) there are 5 classes and 1 irreducible representations the character table: E -E C2 s_v s_v' -C2 -s_v -s_v' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 s_v -s_v 3 -3 s_v'-s_v' 4 -4 -E -1 Cartesian axes number of k points= 308 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032468 k( 2) = ( 0.0128205 -0.0000000 -0.0000000), wk = 0.0032468 k( 3) = ( 0.0256410 -0.0000000 -0.0000000), wk = 0.0032468 k( 4) = ( 0.0384615 -0.0000000 -0.0000000), wk = 0.0032468 k( 5) = ( 0.0512821 -0.0000000 -0.0000000), wk = 0.0032468 k( 6) = ( 0.0641026 -0.0000000 -0.0000000), wk = 0.0032468 k( 7) = ( 0.0769231 -0.0000000 -0.0000000), wk = 0.0032468 k( 8) = ( 0.0897436 -0.0000000 -0.0000000), wk = 0.0032468 k( 9) = ( 0.1025641 -0.0000000 -0.0000000), wk = 0.0032468 k( 10) = ( 0.1153846 -0.0000000 -0.0000000), wk = 0.0032468 k( 11) = ( 0.1282051 -0.0000000 -0.0000000), wk = 0.0032468 k( 12) = ( 0.1410256 -0.0000000 -0.0000000), wk = 0.0032468 k( 13) = ( 0.1538461 -0.0000000 -0.0000000), wk = 0.0032468 k( 14) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0032468 k( 15) = ( 0.1794872 -0.0000000 -0.0000000), wk = 0.0032468 k( 16) = ( 0.1923077 -0.0000000 -0.0000000), wk = 0.0032468 k( 17) = ( 0.2051282 -0.0000000 -0.0000000), wk = 0.0032468 k( 18) = ( 0.2179487 -0.0000000 -0.0000000), wk = 0.0032468 k( 19) = ( 0.2307692 -0.0000000 -0.0000000), wk = 0.0032468 k( 20) = ( 0.2435897 -0.0000000 -0.0000000), wk = 0.0032468 k( 21) = ( 0.2564103 -0.0000000 -0.0000000), wk = 0.0032468 k( 22) = ( 0.2692308 -0.0000000 -0.0000000), wk = 0.0032468 k( 23) = ( 0.2820513 -0.0000000 -0.0000000), wk = 0.0032468 k( 24) = ( 0.2948718 -0.0000000 -0.0000000), wk = 0.0032468 k( 25) = ( 0.3076923 -0.0000000 -0.0000000), wk = 0.0032468 k( 26) = ( 0.3205128 -0.0000000 -0.0000000), wk = 0.0032468 k( 27) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0032468 k( 28) = ( 0.3461538 -0.0000000 -0.0000000), wk = 0.0032468 k( 29) = ( 0.3589744 -0.0000000 -0.0000000), wk = 0.0032468 k( 30) = ( 0.3717949 -0.0000000 -0.0000000), wk = 0.0032468 k( 31) = ( 0.3846154 -0.0000000 -0.0000000), wk = 0.0032468 k( 32) = ( 0.3974359 -0.0000000 -0.0000000), wk = 0.0032468 k( 33) = ( 0.4102564 -0.0000000 -0.0000000), wk = 0.0032468 k( 34) = ( 0.4230769 -0.0000000 -0.0000000), wk = 0.0032468 k( 35) = ( 0.4358974 -0.0000000 -0.0000000), wk = 0.0032468 k( 36) = ( 0.4487179 -0.0000000 -0.0000000), wk = 0.0032468 k( 37) = ( 0.4615385 -0.0000000 -0.0000000), wk = 0.0032468 k( 38) = ( 0.4743590 -0.0000000 -0.0000000), wk = 0.0032468 k( 39) = ( 0.4871795 -0.0000000 -0.0000000), wk = 0.0032468 k( 40) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032468 k( 41) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032468 k( 42) = ( 0.5000000 0.0126932 -0.0000000), wk = 0.0032468 k( 43) = ( 0.5000000 0.0253864 -0.0000000), wk = 0.0032468 k( 44) = ( 0.5000000 0.0380796 -0.0000000), wk = 0.0032468 k( 45) = ( 0.5000000 0.0507728 -0.0000000), wk = 0.0032468 k( 46) = ( 0.5000000 0.0634660 -0.0000000), wk = 0.0032468 k( 47) = ( 0.5000000 0.0761592 -0.0000000), wk = 0.0032468 k( 48) = ( 0.5000000 0.0888525 -0.0000000), wk = 0.0032468 k( 49) = ( 0.5000000 0.1015457 -0.0000000), wk = 0.0032468 k( 50) = ( 0.5000000 0.1142389 -0.0000000), wk = 0.0032468 k( 51) = ( 0.5000000 0.1269321 -0.0000000), wk = 0.0032468 k( 52) = ( 0.5000000 0.1396253 -0.0000000), wk = 0.0032468 k( 53) = ( 0.5000000 0.1523185 -0.0000000), wk = 0.0032468 k( 54) = ( 0.5000000 0.1650117 -0.0000000), wk = 0.0032468 k( 55) = ( 0.5000000 0.1777049 -0.0000000), wk = 0.0032468 k( 56) = ( 0.5000000 0.1903981 -0.0000000), wk = 0.0032468 k( 57) = ( 0.5000000 0.2030913 -0.0000000), wk = 0.0032468 k( 58) = ( 0.5000000 0.2157845 -0.0000000), wk = 0.0032468 k( 59) = ( 0.5000000 0.2284777 -0.0000000), wk = 0.0032468 k( 60) = ( 0.5000000 0.2411709 -0.0000000), wk = 0.0032468 k( 61) = ( 0.5000000 0.2411709 -0.0000000), wk = 0.0032468 k( 62) = ( 0.4871795 0.2411709 -0.0000000), wk = 0.0032468 k( 63) = ( 0.4743590 0.2411709 -0.0000000), wk = 0.0032468 k( 64) = ( 0.4615385 0.2411709 -0.0000000), wk = 0.0032468 k( 65) = ( 0.4487179 0.2411709 -0.0000000), wk = 0.0032468 k( 66) = ( 0.4358974 0.2411709 -0.0000000), wk = 0.0032468 k( 67) = ( 0.4230769 0.2411709 -0.0000000), wk = 0.0032468 k( 68) = ( 0.4102564 0.2411709 -0.0000000), wk = 0.0032468 k( 69) = ( 0.3974359 0.2411709 -0.0000000), wk = 0.0032468 k( 70) = ( 0.3846154 0.2411709 -0.0000000), wk = 0.0032468 k( 71) = ( 0.3717949 0.2411709 -0.0000000), wk = 0.0032468 k( 72) = ( 0.3589744 0.2411709 -0.0000000), wk = 0.0032468 k( 73) = ( 0.3461538 0.2411709 -0.0000000), wk = 0.0032468 k( 74) = ( 0.3333333 0.2411709 -0.0000000), wk = 0.0032468 k( 75) = ( 0.3205128 0.2411709 -0.0000000), wk = 0.0032468 k( 76) = ( 0.3076923 0.2411709 -0.0000000), wk = 0.0032468 k( 77) = ( 0.2948718 0.2411709 -0.0000000), wk = 0.0032468 k( 78) = ( 0.2820513 0.2411709 -0.0000000), wk = 0.0032468 k( 79) = ( 0.2692308 0.2411709 -0.0000000), wk = 0.0032468 k( 80) = ( 0.2564103 0.2411709 -0.0000000), wk = 0.0032468 k( 81) = ( 0.2435897 0.2411709 -0.0000000), wk = 0.0032468 k( 82) = ( 0.2307692 0.2411709 -0.0000000), wk = 0.0032468 k( 83) = ( 0.2179487 0.2411709 -0.0000000), wk = 0.0032468 k( 84) = ( 0.2051282 0.2411709 -0.0000000), wk = 0.0032468 k( 85) = ( 0.1923077 0.2411709 -0.0000000), wk = 0.0032468 k( 86) = ( 0.1794872 0.2411709 -0.0000000), wk = 0.0032468 k( 87) = ( 0.1666667 0.2411709 -0.0000000), wk = 0.0032468 k( 88) = ( 0.1538461 0.2411709 -0.0000000), wk = 0.0032468 k( 89) = ( 0.1410256 0.2411709 -0.0000000), wk = 0.0032468 k( 90) = ( 0.1282051 0.2411709 -0.0000000), wk = 0.0032468 k( 91) = ( 0.1153846 0.2411709 -0.0000000), wk = 0.0032468 k( 92) = ( 0.1025641 0.2411709 -0.0000000), wk = 0.0032468 k( 93) = ( 0.0897436 0.2411709 -0.0000000), wk = 0.0032468 k( 94) = ( 0.0769231 0.2411709 -0.0000000), wk = 0.0032468 k( 95) = ( 0.0641026 0.2411709 -0.0000000), wk = 0.0032468 k( 96) = ( 0.0512821 0.2411709 -0.0000000), wk = 0.0032468 k( 97) = ( 0.0384615 0.2411709 -0.0000000), wk = 0.0032468 k( 98) = ( 0.0256410 0.2411709 -0.0000000), wk = 0.0032468 k( 99) = ( 0.0128205 0.2411709 -0.0000000), wk = 0.0032468 k( 100) = ( 0.0000000 0.2411709 -0.0000000), wk = 0.0032468 k( 101) = ( 0.0000000 0.2411709 -0.0000000), wk = 0.0032468 k( 102) = ( 0.0000000 0.2284777 -0.0000000), wk = 0.0032468 k( 103) = ( 0.0000000 0.2157845 -0.0000000), wk = 0.0032468 k( 104) = ( 0.0000000 0.2030913 -0.0000000), wk = 0.0032468 k( 105) = ( 0.0000000 0.1903981 -0.0000000), wk = 0.0032468 k( 106) = ( 0.0000000 0.1777049 -0.0000000), wk = 0.0032468 k( 107) = ( 0.0000000 0.1650117 -0.0000000), wk = 0.0032468 k( 108) = ( 0.0000000 0.1523185 -0.0000000), wk = 0.0032468 k( 109) = ( 0.0000000 0.1396253 -0.0000000), wk = 0.0032468 k( 110) = ( 0.0000000 0.1269321 -0.0000000), wk = 0.0032468 k( 111) = ( 0.0000000 0.1142389 -0.0000000), wk = 0.0032468 k( 112) = ( 0.0000000 0.1015457 -0.0000000), wk = 0.0032468 k( 113) = ( 0.0000000 0.0888525 -0.0000000), wk = 0.0032468 k( 114) = ( 0.0000000 0.0761592 -0.0000000), wk = 0.0032468 k( 115) = ( 0.0000000 0.0634660 -0.0000000), wk = 0.0032468 k( 116) = ( 0.0000000 0.0507728 -0.0000000), wk = 0.0032468 k( 117) = ( 0.0000000 0.0380796 -0.0000000), wk = 0.0032468 k( 118) = ( 0.0000000 0.0253864 -0.0000000), wk = 0.0032468 k( 119) = ( 0.0000000 0.0126932 -0.0000000), wk = 0.0032468 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032468 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032468 k( 122) = ( 0.0000000 0.0000000 0.0126895), wk = 0.0032468 k( 123) = ( 0.0000000 0.0000000 0.0253790), wk = 0.0032468 k( 124) = ( 0.0000000 0.0000000 0.0380686), wk = 0.0032468 k( 125) = ( 0.0000000 0.0000000 0.0507581), wk = 0.0032468 k( 126) = ( 0.0000000 0.0000000 0.0634476), wk = 0.0032468 k( 127) = ( 0.0000000 0.0000000 0.0761371), wk = 0.0032468 k( 128) = ( 0.0000000 0.0000000 0.0888267), wk = 0.0032468 k( 129) = ( 0.0000000 0.0000000 0.1015162), wk = 0.0032468 k( 130) = ( 0.0000000 0.0000000 0.1142057), wk = 0.0032468 k( 131) = ( 0.0000000 0.0000000 0.1268952), wk = 0.0032468 k( 132) = ( 0.0000000 0.0000000 0.1395848), wk = 0.0032468 k( 133) = ( 0.0000000 0.0000000 0.1522743), wk = 0.0032468 k( 134) = ( 0.0000000 0.0000000 0.1649638), wk = 0.0032468 k( 135) = ( 0.0000000 0.0000000 0.1776533), wk = 0.0032468 k( 136) = ( 0.0000000 0.0000000 0.1903429), wk = 0.0032468 k( 137) = ( 0.0000000 0.0000000 0.2030324), wk = 0.0032468 k( 138) = ( 0.0000000 0.0000000 0.2030324), wk = 0.0032468 k( 139) = ( 0.0128205 -0.0000000 0.2030324), wk = 0.0032468 k( 140) = ( 0.0256410 -0.0000000 0.2030324), wk = 0.0032468 k( 141) = ( 0.0384615 -0.0000000 0.2030324), wk = 0.0032468 k( 142) = ( 0.0512821 -0.0000000 0.2030324), wk = 0.0032468 k( 143) = ( 0.0641026 -0.0000000 0.2030324), wk = 0.0032468 k( 144) = ( 0.0769231 -0.0000000 0.2030324), wk = 0.0032468 k( 145) = ( 0.0897436 -0.0000000 0.2030324), wk = 0.0032468 k( 146) = ( 0.1025641 -0.0000000 0.2030324), wk = 0.0032468 k( 147) = ( 0.1153846 -0.0000000 0.2030324), wk = 0.0032468 k( 148) = ( 0.1282051 -0.0000000 0.2030324), wk = 0.0032468 k( 149) = ( 0.1410256 -0.0000000 0.2030324), wk = 0.0032468 k( 150) = ( 0.1538461 -0.0000000 0.2030324), wk = 0.0032468 k( 151) = ( 0.1666667 -0.0000000 0.2030324), wk = 0.0032468 k( 152) = ( 0.1794872 -0.0000000 0.2030324), wk = 0.0032468 k( 153) = ( 0.1923077 -0.0000000 0.2030324), wk = 0.0032468 k( 154) = ( 0.2051282 -0.0000000 0.2030324), wk = 0.0032468 k( 155) = ( 0.2179487 -0.0000000 0.2030324), wk = 0.0032468 k( 156) = ( 0.2307692 -0.0000000 0.2030324), wk = 0.0032468 k( 157) = ( 0.2435897 -0.0000000 0.2030324), wk = 0.0032468 k( 158) = ( 0.2564103 -0.0000000 0.2030324), wk = 0.0032468 k( 159) = ( 0.2692308 -0.0000000 0.2030324), wk = 0.0032468 k( 160) = ( 0.2820513 -0.0000000 0.2030324), wk = 0.0032468 k( 161) = ( 0.2948718 -0.0000000 0.2030324), wk = 0.0032468 k( 162) = ( 0.3076923 -0.0000000 0.2030324), wk = 0.0032468 k( 163) = ( 0.3205128 -0.0000000 0.2030324), wk = 0.0032468 k( 164) = ( 0.3333333 -0.0000000 0.2030324), wk = 0.0032468 k( 165) = ( 0.3461538 -0.0000000 0.2030324), wk = 0.0032468 k( 166) = ( 0.3589744 -0.0000000 0.2030324), wk = 0.0032468 k( 167) = ( 0.3717949 -0.0000000 0.2030324), wk = 0.0032468 k( 168) = ( 0.3846154 -0.0000000 0.2030324), wk = 0.0032468 k( 169) = ( 0.3974359 -0.0000000 0.2030324), wk = 0.0032468 k( 170) = ( 0.4102564 -0.0000000 0.2030324), wk = 0.0032468 k( 171) = ( 0.4230769 -0.0000000 0.2030324), wk = 0.0032468 k( 172) = ( 0.4358974 -0.0000000 0.2030324), wk = 0.0032468 k( 173) = ( 0.4487179 -0.0000000 0.2030324), wk = 0.0032468 k( 174) = ( 0.4615385 -0.0000000 0.2030324), wk = 0.0032468 k( 175) = ( 0.4743590 -0.0000000 0.2030324), wk = 0.0032468 k( 176) = ( 0.4871795 -0.0000000 0.2030324), wk = 0.0032468 k( 177) = ( 0.5000000 -0.0000000 0.2030324), wk = 0.0032468 k( 178) = ( 0.5000000 -0.0000000 0.2030324), wk = 0.0032468 k( 179) = ( 0.5000000 0.0126932 0.2030324), wk = 0.0032468 k( 180) = ( 0.5000000 0.0253864 0.2030324), wk = 0.0032468 k( 181) = ( 0.5000000 0.0380796 0.2030324), wk = 0.0032468 k( 182) = ( 0.5000000 0.0507728 0.2030324), wk = 0.0032468 k( 183) = ( 0.5000000 0.0634660 0.2030324), wk = 0.0032468 k( 184) = ( 0.5000000 0.0761592 0.2030324), wk = 0.0032468 k( 185) = ( 0.5000000 0.0888525 0.2030324), wk = 0.0032468 k( 186) = ( 0.5000000 0.1015457 0.2030324), wk = 0.0032468 k( 187) = ( 0.5000000 0.1142389 0.2030324), wk = 0.0032468 k( 188) = ( 0.5000000 0.1269321 0.2030324), wk = 0.0032468 k( 189) = ( 0.5000000 0.1396253 0.2030324), wk = 0.0032468 k( 190) = ( 0.5000000 0.1523185 0.2030324), wk = 0.0032468 k( 191) = ( 0.5000000 0.1650117 0.2030324), wk = 0.0032468 k( 192) = ( 0.5000000 0.1777049 0.2030324), wk = 0.0032468 k( 193) = ( 0.5000000 0.1903981 0.2030324), wk = 0.0032468 k( 194) = ( 0.5000000 0.2030913 0.2030324), wk = 0.0032468 k( 195) = ( 0.5000000 0.2157845 0.2030324), wk = 0.0032468 k( 196) = ( 0.5000000 0.2284777 0.2030324), wk = 0.0032468 k( 197) = ( 0.5000000 0.2411709 0.2030324), wk = 0.0032468 k( 198) = ( 0.5000000 0.2411709 0.2030324), wk = 0.0032468 k( 199) = ( 0.4871795 0.2411709 0.2030324), wk = 0.0032468 k( 200) = ( 0.4743590 0.2411709 0.2030324), wk = 0.0032468 k( 201) = ( 0.4615385 0.2411709 0.2030324), wk = 0.0032468 k( 202) = ( 0.4487179 0.2411709 0.2030324), wk = 0.0032468 k( 203) = ( 0.4358974 0.2411709 0.2030324), wk = 0.0032468 k( 204) = ( 0.4230769 0.2411709 0.2030324), wk = 0.0032468 k( 205) = ( 0.4102564 0.2411709 0.2030324), wk = 0.0032468 k( 206) = ( 0.3974359 0.2411709 0.2030324), wk = 0.0032468 k( 207) = ( 0.3846154 0.2411709 0.2030324), wk = 0.0032468 k( 208) = ( 0.3717949 0.2411709 0.2030324), wk = 0.0032468 k( 209) = ( 0.3589744 0.2411709 0.2030324), wk = 0.0032468 k( 210) = ( 0.3461538 0.2411709 0.2030324), wk = 0.0032468 k( 211) = ( 0.3333333 0.2411709 0.2030324), wk = 0.0032468 k( 212) = ( 0.3205128 0.2411709 0.2030324), wk = 0.0032468 k( 213) = ( 0.3076923 0.2411709 0.2030324), wk = 0.0032468 k( 214) = ( 0.2948718 0.2411709 0.2030324), wk = 0.0032468 k( 215) = ( 0.2820513 0.2411709 0.2030324), wk = 0.0032468 k( 216) = ( 0.2692308 0.2411709 0.2030324), wk = 0.0032468 k( 217) = ( 0.2564103 0.2411709 0.2030324), wk = 0.0032468 k( 218) = ( 0.2435897 0.2411709 0.2030324), wk = 0.0032468 k( 219) = ( 0.2307692 0.2411709 0.2030324), wk = 0.0032468 k( 220) = ( 0.2179487 0.2411709 0.2030324), wk = 0.0032468 k( 221) = ( 0.2051282 0.2411709 0.2030324), wk = 0.0032468 k( 222) = ( 0.1923077 0.2411709 0.2030324), wk = 0.0032468 k( 223) = ( 0.1794872 0.2411709 0.2030324), wk = 0.0032468 k( 224) = ( 0.1666667 0.2411709 0.2030324), wk = 0.0032468 k( 225) = ( 0.1538461 0.2411709 0.2030324), wk = 0.0032468 k( 226) = ( 0.1410256 0.2411709 0.2030324), wk = 0.0032468 k( 227) = ( 0.1282051 0.2411709 0.2030324), wk = 0.0032468 k( 228) = ( 0.1153846 0.2411709 0.2030324), wk = 0.0032468 k( 229) = ( 0.1025641 0.2411709 0.2030324), wk = 0.0032468 k( 230) = ( 0.0897436 0.2411709 0.2030324), wk = 0.0032468 k( 231) = ( 0.0769231 0.2411709 0.2030324), wk = 0.0032468 k( 232) = ( 0.0641026 0.2411709 0.2030324), wk = 0.0032468 k( 233) = ( 0.0512821 0.2411709 0.2030324), wk = 0.0032468 k( 234) = ( 0.0384615 0.2411709 0.2030324), wk = 0.0032468 k( 235) = ( 0.0256410 0.2411709 0.2030324), wk = 0.0032468 k( 236) = ( 0.0128205 0.2411709 0.2030324), wk = 0.0032468 k( 237) = ( 0.0000000 0.2411709 0.2030324), wk = 0.0032468 k( 238) = ( 0.0000000 0.2411709 0.2030324), wk = 0.0032468 k( 239) = ( 0.0000000 0.2284777 0.2030324), wk = 0.0032468 k( 240) = ( 0.0000000 0.2157845 0.2030324), wk = 0.0032468 k( 241) = ( 0.0000000 0.2030913 0.2030324), wk = 0.0032468 k( 242) = ( 0.0000000 0.1903981 0.2030324), wk = 0.0032468 k( 243) = ( 0.0000000 0.1777049 0.2030324), wk = 0.0032468 k( 244) = ( 0.0000000 0.1650117 0.2030324), wk = 0.0032468 k( 245) = ( 0.0000000 0.1523185 0.2030324), wk = 0.0032468 k( 246) = ( 0.0000000 0.1396253 0.2030324), wk = 0.0032468 k( 247) = ( 0.0000000 0.1269321 0.2030324), wk = 0.0032468 k( 248) = ( 0.0000000 0.1142389 0.2030324), wk = 0.0032468 k( 249) = ( 0.0000000 0.1015457 0.2030324), wk = 0.0032468 k( 250) = ( 0.0000000 0.0888525 0.2030324), wk = 0.0032468 k( 251) = ( 0.0000000 0.0761592 0.2030324), wk = 0.0032468 k( 252) = ( 0.0000000 0.0634660 0.2030324), wk = 0.0032468 k( 253) = ( 0.0000000 0.0507728 0.2030324), wk = 0.0032468 k( 254) = ( 0.0000000 0.0380796 0.2030324), wk = 0.0032468 k( 255) = ( 0.0000000 0.0253864 0.2030324), wk = 0.0032468 k( 256) = ( 0.0000000 0.0126932 0.2030324), wk = 0.0032468 k( 257) = ( 0.0000000 0.0000000 0.2030324), wk = 0.0032468 k( 258) = ( 0.0000000 0.2411709 -0.0000000), wk = 0.0032468 k( 259) = ( 0.0000000 0.2411709 0.0126895), wk = 0.0032468 k( 260) = ( 0.0000000 0.2411709 0.0253790), wk = 0.0032468 k( 261) = ( 0.0000000 0.2411709 0.0380686), wk = 0.0032468 k( 262) = ( 0.0000000 0.2411709 0.0507581), wk = 0.0032468 k( 263) = ( 0.0000000 0.2411709 0.0634476), wk = 0.0032468 k( 264) = ( 0.0000000 0.2411709 0.0761371), wk = 0.0032468 k( 265) = ( 0.0000000 0.2411709 0.0888267), wk = 0.0032468 k( 266) = ( 0.0000000 0.2411709 0.1015162), wk = 0.0032468 k( 267) = ( 0.0000000 0.2411709 0.1142057), wk = 0.0032468 k( 268) = ( 0.0000000 0.2411709 0.1268952), wk = 0.0032468 k( 269) = ( 0.0000000 0.2411709 0.1395848), wk = 0.0032468 k( 270) = ( 0.0000000 0.2411709 0.1522743), wk = 0.0032468 k( 271) = ( 0.0000000 0.2411709 0.1649638), wk = 0.0032468 k( 272) = ( 0.0000000 0.2411709 0.1776533), wk = 0.0032468 k( 273) = ( 0.0000000 0.2411709 0.1903429), wk = 0.0032468 k( 274) = ( 0.0000000 0.2411709 0.2030324), wk = 0.0032468 k( 275) = ( 0.5000000 -0.0000000 0.2030324), wk = 0.0032468 k( 276) = ( 0.5000000 -0.0000000 0.1903429), wk = 0.0032468 k( 277) = ( 0.5000000 -0.0000000 0.1776533), wk = 0.0032468 k( 278) = ( 0.5000000 -0.0000000 0.1649638), wk = 0.0032468 k( 279) = ( 0.5000000 -0.0000000 0.1522743), wk = 0.0032468 k( 280) = ( 0.5000000 -0.0000000 0.1395848), wk = 0.0032468 k( 281) = ( 0.5000000 -0.0000000 0.1268952), wk = 0.0032468 k( 282) = ( 0.5000000 -0.0000000 0.1142057), wk = 0.0032468 k( 283) = ( 0.5000000 -0.0000000 0.1015162), wk = 0.0032468 k( 284) = ( 0.5000000 -0.0000000 0.0888267), wk = 0.0032468 k( 285) = ( 0.5000000 -0.0000000 0.0761371), wk = 0.0032468 k( 286) = ( 0.5000000 -0.0000000 0.0634476), wk = 0.0032468 k( 287) = ( 0.5000000 -0.0000000 0.0507581), wk = 0.0032468 k( 288) = ( 0.5000000 -0.0000000 0.0380686), wk = 0.0032468 k( 289) = ( 0.5000000 -0.0000000 0.0253790), wk = 0.0032468 k( 290) = ( 0.5000000 -0.0000000 0.0126895), wk = 0.0032468 k( 291) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032468 k( 292) = ( 0.5000000 0.2411709 -0.0000000), wk = 0.0032468 k( 293) = ( 0.5000000 0.2411709 0.0126895), wk = 0.0032468 k( 294) = ( 0.5000000 0.2411709 0.0253790), wk = 0.0032468 k( 295) = ( 0.5000000 0.2411709 0.0380686), wk = 0.0032468 k( 296) = ( 0.5000000 0.2411709 0.0507581), wk = 0.0032468 k( 297) = ( 0.5000000 0.2411709 0.0634476), wk = 0.0032468 k( 298) = ( 0.5000000 0.2411709 0.0761371), wk = 0.0032468 k( 299) = ( 0.5000000 0.2411709 0.0888267), wk = 0.0032468 k( 300) = ( 0.5000000 0.2411709 0.1015162), wk = 0.0032468 k( 301) = ( 0.5000000 0.2411709 0.1142057), wk = 0.0032468 k( 302) = ( 0.5000000 0.2411709 0.1268952), wk = 0.0032468 k( 303) = ( 0.5000000 0.2411709 0.1395848), wk = 0.0032468 k( 304) = ( 0.5000000 0.2411709 0.1522743), wk = 0.0032468 k( 305) = ( 0.5000000 0.2411709 0.1649638), wk = 0.0032468 k( 306) = ( 0.5000000 0.2411709 0.1776533), wk = 0.0032468 k( 307) = ( 0.5000000 0.2411709 0.1903429), wk = 0.0032468 k( 308) = ( 0.5000000 0.2411709 0.2030324), wk = 0.0032468 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032468 k( 2) = ( 0.0128205 0.0000000 0.0000000), wk = 0.0032468 k( 3) = ( 0.0256410 0.0000000 0.0000000), wk = 0.0032468 k( 4) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0032468 k( 5) = ( 0.0512821 0.0000000 0.0000000), wk = 0.0032468 k( 6) = ( 0.0641026 0.0000000 0.0000000), wk = 0.0032468 k( 7) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0032468 k( 8) = ( 0.0897436 0.0000000 0.0000000), wk = 0.0032468 k( 9) = ( 0.1025641 0.0000000 0.0000000), wk = 0.0032468 k( 10) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0032468 k( 11) = ( 0.1282051 0.0000000 -0.0000000), wk = 0.0032468 k( 12) = ( 0.1410256 0.0000000 -0.0000000), wk = 0.0032468 k( 13) = ( 0.1538461 0.0000000 -0.0000000), wk = 0.0032468 k( 14) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0032468 k( 15) = ( 0.1794872 0.0000000 0.0000000), wk = 0.0032468 k( 16) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0032468 k( 17) = ( 0.2051282 0.0000000 0.0000000), wk = 0.0032468 k( 18) = ( 0.2179487 0.0000000 0.0000000), wk = 0.0032468 k( 19) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0032468 k( 20) = ( 0.2435897 0.0000000 0.0000000), wk = 0.0032468 k( 21) = ( 0.2564103 0.0000000 -0.0000000), wk = 0.0032468 k( 22) = ( 0.2692308 0.0000000 0.0000000), wk = 0.0032468 k( 23) = ( 0.2820513 0.0000000 -0.0000000), wk = 0.0032468 k( 24) = ( 0.2948718 0.0000000 0.0000000), wk = 0.0032468 k( 25) = ( 0.3076923 0.0000000 0.0000000), wk = 0.0032468 k( 26) = ( 0.3205128 0.0000000 0.0000000), wk = 0.0032468 k( 27) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0032468 k( 28) = ( 0.3461538 0.0000000 -0.0000000), wk = 0.0032468 k( 29) = ( 0.3589744 0.0000000 0.0000000), wk = 0.0032468 k( 30) = ( 0.3717949 0.0000000 -0.0000000), wk = 0.0032468 k( 31) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0032468 k( 32) = ( 0.3974359 0.0000000 0.0000000), wk = 0.0032468 k( 33) = ( 0.4102564 0.0000000 0.0000000), wk = 0.0032468 k( 34) = ( 0.4230769 0.0000000 0.0000000), wk = 0.0032468 k( 35) = ( 0.4358974 0.0000000 0.0000000), wk = 0.0032468 k( 36) = ( 0.4487179 0.0000000 0.0000000), wk = 0.0032468 k( 37) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0032468 k( 38) = ( 0.4743590 0.0000000 0.0000000), wk = 0.0032468 k( 39) = ( 0.4871795 0.0000000 0.0000000), wk = 0.0032468 k( 40) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032468 k( 41) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032468 k( 42) = ( 0.5000000 0.0263158 0.0000000), wk = 0.0032468 k( 43) = ( 0.5000000 0.0526316 0.0000000), wk = 0.0032468 k( 44) = ( 0.5000000 0.0789474 0.0000000), wk = 0.0032468 k( 45) = ( 0.5000000 0.1052632 0.0000000), wk = 0.0032468 k( 46) = ( 0.5000000 0.1315790 0.0000000), wk = 0.0032468 k( 47) = ( 0.5000000 0.1578947 0.0000000), wk = 0.0032468 k( 48) = ( 0.5000000 0.1842105 0.0000000), wk = 0.0032468 k( 49) = ( 0.5000000 0.2105263 0.0000000), wk = 0.0032468 k( 50) = ( 0.5000000 0.2368421 0.0000000), wk = 0.0032468 k( 51) = ( 0.5000000 0.2631579 -0.0000000), wk = 0.0032468 k( 52) = ( 0.5000000 0.2894737 0.0000000), wk = 0.0032468 k( 53) = ( 0.5000000 0.3157895 0.0000000), wk = 0.0032468 k( 54) = ( 0.5000000 0.3421053 0.0000000), wk = 0.0032468 k( 55) = ( 0.5000000 0.3684211 0.0000000), wk = 0.0032468 k( 56) = ( 0.5000000 0.3947368 0.0000000), wk = 0.0032468 k( 57) = ( 0.5000000 0.4210526 0.0000000), wk = 0.0032468 k( 58) = ( 0.5000000 0.4473684 0.0000000), wk = 0.0032468 k( 59) = ( 0.5000000 0.4736842 0.0000000), wk = 0.0032468 k( 60) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032468 k( 61) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032468 k( 62) = ( 0.4871795 0.5000000 0.0000000), wk = 0.0032468 k( 63) = ( 0.4743590 0.5000000 0.0000000), wk = 0.0032468 k( 64) = ( 0.4615385 0.5000000 -0.0000000), wk = 0.0032468 k( 65) = ( 0.4487179 0.5000000 0.0000000), wk = 0.0032468 k( 66) = ( 0.4358974 0.5000000 0.0000000), wk = 0.0032468 k( 67) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0032468 k( 68) = ( 0.4102564 0.5000000 0.0000000), wk = 0.0032468 k( 69) = ( 0.3974359 0.5000000 0.0000000), wk = 0.0032468 k( 70) = ( 0.3846154 0.5000000 0.0000000), wk = 0.0032468 k( 71) = ( 0.3717949 0.5000000 0.0000000), wk = 0.0032468 k( 72) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0032468 k( 73) = ( 0.3461538 0.5000000 0.0000000), wk = 0.0032468 k( 74) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0032468 k( 75) = ( 0.3205128 0.5000000 0.0000000), wk = 0.0032468 k( 76) = ( 0.3076923 0.5000000 0.0000000), wk = 0.0032468 k( 77) = ( 0.2948718 0.5000000 -0.0000000), wk = 0.0032468 k( 78) = ( 0.2820513 0.5000000 0.0000000), wk = 0.0032468 k( 79) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0032468 k( 80) = ( 0.2564103 0.5000000 0.0000000), wk = 0.0032468 k( 81) = ( 0.2435897 0.5000000 0.0000000), wk = 0.0032468 k( 82) = ( 0.2307692 0.5000000 -0.0000000), wk = 0.0032468 k( 83) = ( 0.2179487 0.5000000 0.0000000), wk = 0.0032468 k( 84) = ( 0.2051282 0.5000000 0.0000000), wk = 0.0032468 k( 85) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0032468 k( 86) = ( 0.1794872 0.5000000 -0.0000000), wk = 0.0032468 k( 87) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0032468 k( 88) = ( 0.1538461 0.5000000 -0.0000000), wk = 0.0032468 k( 89) = ( 0.1410256 0.5000000 -0.0000000), wk = 0.0032468 k( 90) = ( 0.1282051 0.5000000 -0.0000000), wk = 0.0032468 k( 91) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0032468 k( 92) = ( 0.1025641 0.5000000 0.0000000), wk = 0.0032468 k( 93) = ( 0.0897436 0.5000000 0.0000000), wk = 0.0032468 k( 94) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0032468 k( 95) = ( 0.0641026 0.5000000 0.0000000), wk = 0.0032468 k( 96) = ( 0.0512821 0.5000000 0.0000000), wk = 0.0032468 k( 97) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0032468 k( 98) = ( 0.0256410 0.5000000 0.0000000), wk = 0.0032468 k( 99) = ( 0.0128205 0.5000000 0.0000000), wk = 0.0032468 k( 100) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032468 k( 101) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032468 k( 102) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0032468 k( 103) = ( 0.0000000 0.4473684 0.0000000), wk = 0.0032468 k( 104) = ( 0.0000000 0.4210526 -0.0000000), wk = 0.0032468 k( 105) = ( 0.0000000 0.3947368 0.0000000), wk = 0.0032468 k( 106) = ( 0.0000000 0.3684211 0.0000000), wk = 0.0032468 k( 107) = ( 0.0000000 0.3421053 0.0000000), wk = 0.0032468 k( 108) = ( 0.0000000 0.3157895 0.0000000), wk = 0.0032468 k( 109) = ( 0.0000000 0.2894737 0.0000000), wk = 0.0032468 k( 110) = ( 0.0000000 0.2631579 -0.0000000), wk = 0.0032468 k( 111) = ( 0.0000000 0.2368421 0.0000000), wk = 0.0032468 k( 112) = ( 0.0000000 0.2105263 0.0000000), wk = 0.0032468 k( 113) = ( 0.0000000 0.1842105 0.0000000), wk = 0.0032468 k( 114) = ( 0.0000000 0.1578947 -0.0000000), wk = 0.0032468 k( 115) = ( 0.0000000 0.1315790 0.0000000), wk = 0.0032468 k( 116) = ( 0.0000000 0.1052632 0.0000000), wk = 0.0032468 k( 117) = ( 0.0000000 0.0789474 -0.0000000), wk = 0.0032468 k( 118) = ( 0.0000000 0.0526316 0.0000000), wk = 0.0032468 k( 119) = ( 0.0000000 0.0263158 0.0000000), wk = 0.0032468 k( 120) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032468 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032468 k( 122) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0032468 k( 123) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0032468 k( 124) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0032468 k( 125) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0032468 k( 126) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0032468 k( 127) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0032468 k( 128) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0032468 k( 129) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0032468 k( 130) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0032468 k( 131) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0032468 k( 132) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0032468 k( 133) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0032468 k( 134) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0032468 k( 135) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0032468 k( 136) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0032468 k( 137) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032468 k( 138) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032468 k( 139) = ( 0.0128205 0.0000000 0.5000000), wk = 0.0032468 k( 140) = ( 0.0256410 0.0000000 0.5000000), wk = 0.0032468 k( 141) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0032468 k( 142) = ( 0.0512821 0.0000000 0.5000000), wk = 0.0032468 k( 143) = ( 0.0641026 0.0000000 0.5000000), wk = 0.0032468 k( 144) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0032468 k( 145) = ( 0.0897436 0.0000000 0.5000000), wk = 0.0032468 k( 146) = ( 0.1025641 0.0000000 0.5000000), wk = 0.0032468 k( 147) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0032468 k( 148) = ( 0.1282051 0.0000000 0.5000000), wk = 0.0032468 k( 149) = ( 0.1410256 0.0000000 0.5000000), wk = 0.0032468 k( 150) = ( 0.1538461 0.0000000 0.5000000), wk = 0.0032468 k( 151) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0032468 k( 152) = ( 0.1794872 0.0000000 0.5000000), wk = 0.0032468 k( 153) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0032468 k( 154) = ( 0.2051282 0.0000000 0.5000000), wk = 0.0032468 k( 155) = ( 0.2179487 0.0000000 0.5000000), wk = 0.0032468 k( 156) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0032468 k( 157) = ( 0.2435897 0.0000000 0.5000000), wk = 0.0032468 k( 158) = ( 0.2564103 0.0000000 0.5000000), wk = 0.0032468 k( 159) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0032468 k( 160) = ( 0.2820513 0.0000000 0.5000000), wk = 0.0032468 k( 161) = ( 0.2948718 0.0000000 0.5000000), wk = 0.0032468 k( 162) = ( 0.3076923 0.0000000 0.5000000), wk = 0.0032468 k( 163) = ( 0.3205128 0.0000000 0.5000000), wk = 0.0032468 k( 164) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0032468 k( 165) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0032468 k( 166) = ( 0.3589744 0.0000000 0.5000000), wk = 0.0032468 k( 167) = ( 0.3717949 0.0000000 0.5000000), wk = 0.0032468 k( 168) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0032468 k( 169) = ( 0.3974359 0.0000000 0.5000000), wk = 0.0032468 k( 170) = ( 0.4102564 0.0000000 0.5000000), wk = 0.0032468 k( 171) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0032468 k( 172) = ( 0.4358974 0.0000000 0.5000000), wk = 0.0032468 k( 173) = ( 0.4487179 0.0000000 0.5000000), wk = 0.0032468 k( 174) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0032468 k( 175) = ( 0.4743590 0.0000000 0.5000000), wk = 0.0032468 k( 176) = ( 0.4871795 0.0000000 0.5000000), wk = 0.0032468 k( 177) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032468 k( 178) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032468 k( 179) = ( 0.5000000 0.0263158 0.5000000), wk = 0.0032468 k( 180) = ( 0.5000000 0.0526316 0.5000000), wk = 0.0032468 k( 181) = ( 0.5000000 0.0789474 0.5000000), wk = 0.0032468 k( 182) = ( 0.5000000 0.1052632 0.5000000), wk = 0.0032468 k( 183) = ( 0.5000000 0.1315790 0.5000000), wk = 0.0032468 k( 184) = ( 0.5000000 0.1578947 0.5000000), wk = 0.0032468 k( 185) = ( 0.5000000 0.1842105 0.5000000), wk = 0.0032468 k( 186) = ( 0.5000000 0.2105263 0.5000000), wk = 0.0032468 k( 187) = ( 0.5000000 0.2368421 0.5000000), wk = 0.0032468 k( 188) = ( 0.5000000 0.2631579 0.5000000), wk = 0.0032468 k( 189) = ( 0.5000000 0.2894737 0.5000000), wk = 0.0032468 k( 190) = ( 0.5000000 0.3157895 0.5000000), wk = 0.0032468 k( 191) = ( 0.5000000 0.3421053 0.5000000), wk = 0.0032468 k( 192) = ( 0.5000000 0.3684211 0.5000000), wk = 0.0032468 k( 193) = ( 0.5000000 0.3947368 0.5000000), wk = 0.0032468 k( 194) = ( 0.5000000 0.4210526 0.5000000), wk = 0.0032468 k( 195) = ( 0.5000000 0.4473684 0.5000000), wk = 0.0032468 k( 196) = ( 0.5000000 0.4736842 0.5000000), wk = 0.0032468 k( 197) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032468 k( 198) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032468 k( 199) = ( 0.4871795 0.5000000 0.5000000), wk = 0.0032468 k( 200) = ( 0.4743590 0.5000000 0.5000000), wk = 0.0032468 k( 201) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0032468 k( 202) = ( 0.4487179 0.5000000 0.5000000), wk = 0.0032468 k( 203) = ( 0.4358974 0.5000000 0.5000000), wk = 0.0032468 k( 204) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0032468 k( 205) = ( 0.4102564 0.5000000 0.5000000), wk = 0.0032468 k( 206) = ( 0.3974359 0.5000000 0.5000000), wk = 0.0032468 k( 207) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0032468 k( 208) = ( 0.3717949 0.5000000 0.5000000), wk = 0.0032468 k( 209) = ( 0.3589744 0.5000000 0.5000000), wk = 0.0032468 k( 210) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0032468 k( 211) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0032468 k( 212) = ( 0.3205128 0.5000000 0.5000000), wk = 0.0032468 k( 213) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0032468 k( 214) = ( 0.2948718 0.5000000 0.5000000), wk = 0.0032468 k( 215) = ( 0.2820513 0.5000000 0.5000000), wk = 0.0032468 k( 216) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0032468 k( 217) = ( 0.2564103 0.5000000 0.5000000), wk = 0.0032468 k( 218) = ( 0.2435897 0.5000000 0.5000000), wk = 0.0032468 k( 219) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0032468 k( 220) = ( 0.2179487 0.5000000 0.5000000), wk = 0.0032468 k( 221) = ( 0.2051282 0.5000000 0.5000000), wk = 0.0032468 k( 222) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0032468 k( 223) = ( 0.1794872 0.5000000 0.5000000), wk = 0.0032468 k( 224) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0032468 k( 225) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0032468 k( 226) = ( 0.1410256 0.5000000 0.5000000), wk = 0.0032468 k( 227) = ( 0.1282051 0.5000000 0.5000000), wk = 0.0032468 k( 228) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0032468 k( 229) = ( 0.1025641 0.5000000 0.5000000), wk = 0.0032468 k( 230) = ( 0.0897436 0.5000000 0.5000000), wk = 0.0032468 k( 231) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0032468 k( 232) = ( 0.0641026 0.5000000 0.5000000), wk = 0.0032468 k( 233) = ( 0.0512821 0.5000000 0.5000000), wk = 0.0032468 k( 234) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0032468 k( 235) = ( 0.0256410 0.5000000 0.5000000), wk = 0.0032468 k( 236) = ( 0.0128205 0.5000000 0.5000000), wk = 0.0032468 k( 237) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032468 k( 238) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032468 k( 239) = ( 0.0000000 0.4736842 0.5000000), wk = 0.0032468 k( 240) = ( 0.0000000 0.4473684 0.5000000), wk = 0.0032468 k( 241) = ( 0.0000000 0.4210526 0.5000000), wk = 0.0032468 k( 242) = ( 0.0000000 0.3947368 0.5000000), wk = 0.0032468 k( 243) = ( 0.0000000 0.3684211 0.5000000), wk = 0.0032468 k( 244) = ( 0.0000000 0.3421053 0.5000000), wk = 0.0032468 k( 245) = ( 0.0000000 0.3157895 0.5000000), wk = 0.0032468 k( 246) = ( 0.0000000 0.2894737 0.5000000), wk = 0.0032468 k( 247) = ( 0.0000000 0.2631579 0.5000000), wk = 0.0032468 k( 248) = ( 0.0000000 0.2368421 0.5000000), wk = 0.0032468 k( 249) = ( 0.0000000 0.2105263 0.5000000), wk = 0.0032468 k( 250) = ( 0.0000000 0.1842105 0.5000000), wk = 0.0032468 k( 251) = ( 0.0000000 0.1578947 0.5000000), wk = 0.0032468 k( 252) = ( 0.0000000 0.1315790 0.5000000), wk = 0.0032468 k( 253) = ( 0.0000000 0.1052632 0.5000000), wk = 0.0032468 k( 254) = ( 0.0000000 0.0789474 0.5000000), wk = 0.0032468 k( 255) = ( 0.0000000 0.0526316 0.5000000), wk = 0.0032468 k( 256) = ( 0.0000000 0.0263158 0.5000000), wk = 0.0032468 k( 257) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032468 k( 258) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032468 k( 259) = ( 0.0000000 0.5000000 0.0312500), wk = 0.0032468 k( 260) = ( 0.0000000 0.5000000 0.0625000), wk = 0.0032468 k( 261) = ( 0.0000000 0.5000000 0.0937500), wk = 0.0032468 k( 262) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0032468 k( 263) = ( 0.0000000 0.5000000 0.1562500), wk = 0.0032468 k( 264) = ( 0.0000000 0.5000000 0.1875000), wk = 0.0032468 k( 265) = ( 0.0000000 0.5000000 0.2187500), wk = 0.0032468 k( 266) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0032468 k( 267) = ( 0.0000000 0.5000000 0.2812500), wk = 0.0032468 k( 268) = ( 0.0000000 0.5000000 0.3125000), wk = 0.0032468 k( 269) = ( 0.0000000 0.5000000 0.3437500), wk = 0.0032468 k( 270) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0032468 k( 271) = ( 0.0000000 0.5000000 0.4062500), wk = 0.0032468 k( 272) = ( 0.0000000 0.5000000 0.4375000), wk = 0.0032468 k( 273) = ( 0.0000000 0.5000000 0.4687500), wk = 0.0032468 k( 274) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032468 k( 275) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0032468 k( 276) = ( 0.5000000 0.0000000 0.4687500), wk = 0.0032468 k( 277) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0032468 k( 278) = ( 0.5000000 0.0000000 0.4062500), wk = 0.0032468 k( 279) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0032468 k( 280) = ( 0.5000000 0.0000000 0.3437500), wk = 0.0032468 k( 281) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0032468 k( 282) = ( 0.5000000 0.0000000 0.2812500), wk = 0.0032468 k( 283) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0032468 k( 284) = ( 0.5000000 0.0000000 0.2187500), wk = 0.0032468 k( 285) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0032468 k( 286) = ( 0.5000000 0.0000000 0.1562500), wk = 0.0032468 k( 287) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0032468 k( 288) = ( 0.5000000 0.0000000 0.0937500), wk = 0.0032468 k( 289) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0032468 k( 290) = ( 0.5000000 0.0000000 0.0312500), wk = 0.0032468 k( 291) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0032468 k( 292) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032468 k( 293) = ( 0.5000000 0.5000000 0.0312500), wk = 0.0032468 k( 294) = ( 0.5000000 0.5000000 0.0625000), wk = 0.0032468 k( 295) = ( 0.5000000 0.5000000 0.0937500), wk = 0.0032468 k( 296) = ( 0.5000000 0.5000000 0.1250000), wk = 0.0032468 k( 297) = ( 0.5000000 0.5000000 0.1562500), wk = 0.0032468 k( 298) = ( 0.5000000 0.5000000 0.1875000), wk = 0.0032468 k( 299) = ( 0.5000000 0.5000000 0.2187500), wk = 0.0032468 k( 300) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0032468 k( 301) = ( 0.5000000 0.5000000 0.2812500), wk = 0.0032468 k( 302) = ( 0.5000000 0.5000000 0.3125000), wk = 0.0032468 k( 303) = ( 0.5000000 0.5000000 0.3437500), wk = 0.0032468 k( 304) = ( 0.5000000 0.5000000 0.3750000), wk = 0.0032468 k( 305) = ( 0.5000000 0.5000000 0.4062500), wk = 0.0032468 k( 306) = ( 0.5000000 0.5000000 0.4375000), wk = 0.0032468 k( 307) = ( 0.5000000 0.5000000 0.4687500), wk = 0.0032468 k( 308) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032468 Dense grid: 152199 G-vectors FFT dimensions: ( 40, 80, 96) Smooth grid: 128347 G-vectors FFT dimensions: ( 40, 75, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.89 Mb ( 682, 86) NL pseudopotentials 1.75 Mb ( 341, 336) Each V/rho on FFT grid 0.10 Mb ( 6400) Each G-vector array 0.02 Mb ( 3175) G-vector shells 0.01 Mb ( 1609) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.58 Mb ( 682, 344) Each subspace H/S matrix 1.81 Mb ( 344, 344) Each matrix 0.88 Mb ( 336, 2, 86) The potential is recalculated from file : ./SbSI.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 55.1 secs Computing kpt #: 2 total cpu time spent up to now is 71.6 secs Computing kpt #: 3 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 88.9 secs Computing kpt #: 4 total cpu time spent up to now is 105.0 secs Computing kpt #: 5 total cpu time spent up to now is 118.6 secs Computing kpt #: 6 total cpu time spent up to now is 131.1 secs Computing kpt #: 7 total cpu time spent up to now is 142.5 secs Computing kpt #: 8 total cpu time spent up to now is 153.7 secs Computing kpt #: 9 total cpu time spent up to now is 164.6 secs Computing kpt #: 10 total cpu time spent up to now is 175.3 secs Computing kpt #: 11 total cpu time spent up to now is 185.3 secs Computing kpt #: 12 total cpu time spent up to now is 194.9 secs Computing kpt #: 13 total cpu time spent up to now is 204.5 secs Computing kpt #: 14 total cpu time spent up to now is 214.9 secs Computing kpt #: 15 total cpu time spent up to now is 226.9 secs Computing kpt #: 16 total cpu time spent up to now is 236.5 secs Computing kpt #: 17 total cpu time spent up to now is 246.6 secs Computing kpt #: 18 total cpu time spent up to now is 256.3 secs Computing kpt #: 19 total cpu time spent up to now is 266.6 secs Computing kpt #: 20 total cpu time spent up to now is 276.1 secs Computing kpt #: 21 total cpu time spent up to now is 286.3 secs Computing kpt #: 22 total cpu time spent up to now is 295.9 secs Computing kpt #: 23 total cpu time spent up to now is 305.5 secs Computing kpt #: 24 total cpu time spent up to now is 315.2 secs Computing kpt #: 25 total cpu time spent up to now is 325.8 secs Computing kpt #: 26 total cpu time spent up to now is 337.7 secs Computing kpt #: 27 total cpu time spent up to now is 348.7 secs Computing kpt #: 28 total cpu time spent up to now is 361.1 secs Computing kpt #: 29 total cpu time spent up to now is 372.3 secs Computing kpt #: 30 total cpu time spent up to now is 383.0 secs Computing kpt #: 31 total cpu time spent up to now is 395.2 secs Computing kpt #: 32 total cpu time spent up to now is 405.3 secs Computing kpt #: 33 total cpu time spent up to now is 416.1 secs Computing kpt #: 34 total cpu time spent up to now is 426.9 secs Computing kpt #: 35 total cpu time spent up to now is 437.2 secs Computing kpt #: 36 total cpu time spent up to now is 448.4 secs Computing kpt #: 37 total cpu time spent up to now is 460.0 secs Computing kpt #: 38 total cpu time spent up to now is 471.3 secs Computing kpt #: 39 total cpu time spent up to now is 482.6 secs Computing kpt #: 40 total cpu time spent up to now is 492.4 secs Computing kpt #: 41 total cpu time spent up to now is 502.1 secs Computing kpt #: 42 total cpu time spent up to now is 513.4 secs Computing kpt #: 43 total cpu time spent up to now is 526.4 secs Computing kpt #: 44 total cpu time spent up to now is 537.9 secs Computing kpt #: 45 total cpu time spent up to now is 549.5 secs Computing kpt #: 46 total cpu time spent up to now is 561.0 secs Computing kpt #: 47 total cpu time spent up to now is 572.3 secs Computing kpt #: 48 total cpu time spent up to now is 583.6 secs Computing kpt #: 49 total cpu time spent up to now is 594.9 secs Computing kpt #: 50 total cpu time spent up to now is 606.3 secs Computing kpt #: 51 total cpu time spent up to now is 617.7 secs Computing kpt #: 52 total cpu time spent up to now is 629.0 secs Computing kpt #: 53 total cpu time spent up to now is 640.4 secs Computing kpt #: 54 total cpu time spent up to now is 651.7 secs Computing kpt #: 55 total cpu time spent up to now is 663.0 secs Computing kpt #: 56 total cpu time spent up to now is 674.0 secs Computing kpt #: 57 total cpu time spent up to now is 685.1 secs Computing kpt #: 58 total cpu time spent up to now is 696.4 secs Computing kpt #: 59 total cpu time spent up to now is 707.5 secs Computing kpt #: 60 total cpu time spent up to now is 718.6 secs Computing kpt #: 61 total cpu time spent up to now is 729.7 secs Computing kpt #: 62 total cpu time spent up to now is 740.2 secs Computing kpt #: 63 total cpu time spent up to now is 750.8 secs Computing kpt #: 64 total cpu time spent up to now is 762.0 secs Computing kpt #: 65 total cpu time spent up to now is 773.3 secs Computing kpt #: 66 total cpu time spent up to now is 784.5 secs Computing kpt #: 67 total cpu time spent up to now is 795.7 secs Computing kpt #: 68 total cpu time spent up to now is 806.8 secs Computing kpt #: 69 total cpu time spent up to now is 817.6 secs Computing kpt #: 70 total cpu time spent up to now is 831.0 secs Computing kpt #: 71 total cpu time spent up to now is 842.1 secs Computing kpt #: 72 total cpu time spent up to now is 852.9 secs Computing kpt #: 73 total cpu time spent up to now is 863.3 secs Computing kpt #: 74 total cpu time spent up to now is 873.9 secs Computing kpt #: 75 total cpu time spent up to now is 884.4 secs Computing kpt #: 76 total cpu time spent up to now is 894.9 secs Computing kpt #: 77 total cpu time spent up to now is 905.4 secs Computing kpt #: 78 total cpu time spent up to now is 916.1 secs Computing kpt #: 79 total cpu time spent up to now is 926.5 secs Computing kpt #: 80 total cpu time spent up to now is 937.3 secs Computing kpt #: 81 total cpu time spent up to now is 948.3 secs Computing kpt #: 82 total cpu time spent up to now is 958.9 secs Computing kpt #: 83 total cpu time spent up to now is 969.5 secs Computing kpt #: 84 total cpu time spent up to now is 979.8 secs Computing kpt #: 85 total cpu time spent up to now is 990.3 secs Computing kpt #: 86 total cpu time spent up to now is 1001.5 secs Computing kpt #: 87 total cpu time spent up to now is 1012.1 secs Computing kpt #: 88 total cpu time spent up to now is 1022.6 secs Computing kpt #: 89 total cpu time spent up to now is 1033.1 secs Computing kpt #: 90 total cpu time spent up to now is 1043.6 secs Computing kpt #: 91 total cpu time spent up to now is 1054.2 secs Computing kpt #: 92 total cpu time spent up to now is 1064.9 secs Computing kpt #: 93 total cpu time spent up to now is 1076.4 secs Computing kpt #: 94 total cpu time spent up to now is 1087.5 secs Computing kpt #: 95 total cpu time spent up to now is 1100.0 secs Computing kpt #: 96 total cpu time spent up to now is 1113.8 secs Computing kpt #: 97 total cpu time spent up to now is 1129.9 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1147.7 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1165.7 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1183.4 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1200.8 secs Computing kpt #: 102 total cpu time spent up to now is 1212.3 secs Computing kpt #: 103 total cpu time spent up to now is 1223.9 secs Computing kpt #: 104 total cpu time spent up to now is 1234.8 secs Computing kpt #: 105 total cpu time spent up to now is 1245.4 secs Computing kpt #: 106 total cpu time spent up to now is 1255.3 secs Computing kpt #: 107 total cpu time spent up to now is 1265.9 secs Computing kpt #: 108 total cpu time spent up to now is 1276.5 secs Computing kpt #: 109 total cpu time spent up to now is 1287.3 secs Computing kpt #: 110 total cpu time spent up to now is 1299.3 secs Computing kpt #: 111 total cpu time spent up to now is 1309.9 secs Computing kpt #: 112 total cpu time spent up to now is 1320.9 secs Computing kpt #: 113 total cpu time spent up to now is 1331.9 secs Computing kpt #: 114 total cpu time spent up to now is 1343.4 secs Computing kpt #: 115 total cpu time spent up to now is 1355.0 secs Computing kpt #: 116 total cpu time spent up to now is 1368.1 secs Computing kpt #: 117 total cpu time spent up to now is 1380.9 secs Computing kpt #: 118 total cpu time spent up to now is 1395.8 secs Computing kpt #: 119 total cpu time spent up to now is 1410.8 secs Computing kpt #: 120 total cpu time spent up to now is 1427.3 secs Computing kpt #: 121 total cpu time spent up to now is 1442.0 secs Computing kpt #: 122 total cpu time spent up to now is 1457.3 secs Computing kpt #: 123 total cpu time spent up to now is 1472.5 secs Computing kpt #: 124 total cpu time spent up to now is 1485.1 secs Computing kpt #: 125 total cpu time spent up to now is 1497.8 secs Computing kpt #: 126 total cpu time spent up to now is 1509.2 secs Computing kpt #: 127 total cpu time spent up to now is 1521.6 secs Computing kpt #: 128 total cpu time spent up to now is 1533.4 secs Computing kpt #: 129 total cpu time spent up to now is 1545.9 secs Computing kpt #: 130 total cpu time spent up to now is 1558.7 secs Computing kpt #: 131 total cpu time spent up to now is 1573.8 secs Computing kpt #: 132 total cpu time spent up to now is 1586.7 secs Computing kpt #: 133 total cpu time spent up to now is 1602.0 secs Computing kpt #: 134 total cpu time spent up to now is 1618.9 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1636.9 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1654.6 secs Computing kpt #: 137 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1671.5 secs Computing kpt #: 138 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1688.3 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1705.8 secs Computing kpt #: 140 total cpu time spent up to now is 1721.0 secs Computing kpt #: 141 total cpu time spent up to now is 1733.5 secs Computing kpt #: 142 total cpu time spent up to now is 1744.2 secs Computing kpt #: 143 total cpu time spent up to now is 1754.7 secs Computing kpt #: 144 total cpu time spent up to now is 1765.1 secs Computing kpt #: 145 total cpu time spent up to now is 1774.6 secs Computing kpt #: 146 total cpu time spent up to now is 1784.2 secs Computing kpt #: 147 total cpu time spent up to now is 1793.2 secs Computing kpt #: 148 total cpu time spent up to now is 1802.8 secs Computing kpt #: 149 total cpu time spent up to now is 1811.6 secs Computing kpt #: 150 total cpu time spent up to now is 1820.7 secs Computing kpt #: 151 total cpu time spent up to now is 1830.0 secs Computing kpt #: 152 total cpu time spent up to now is 1839.1 secs Computing kpt #: 153 total cpu time spent up to now is 1848.2 secs Computing kpt #: 154 total cpu time spent up to now is 1857.9 secs Computing kpt #: 155 total cpu time spent up to now is 1867.5 secs Computing kpt #: 156 total cpu time spent up to now is 1877.9 secs Computing kpt #: 157 total cpu time spent up to now is 1888.4 secs Computing kpt #: 158 total cpu time spent up to now is 1900.1 secs Computing kpt #: 159 total cpu time spent up to now is 1913.2 secs Computing kpt #: 160 total cpu time spent up to now is 1925.7 secs Computing kpt #: 161 total cpu time spent up to now is 1938.3 secs Computing kpt #: 162 total cpu time spent up to now is 1950.6 secs Computing kpt #: 163 total cpu time spent up to now is 1963.1 secs Computing kpt #: 164 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1980.3 secs Computing kpt #: 165 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1997.6 secs Computing kpt #: 166 total cpu time spent up to now is 2013.4 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2032.6 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2049.8 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2067.0 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2084.2 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2101.5 secs Computing kpt #: 172 total cpu time spent up to now is 2117.7 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2135.0 secs Computing kpt #: 174 total cpu time spent up to now is 2150.0 secs Computing kpt #: 175 total cpu time spent up to now is 2165.2 secs Computing kpt #: 176 total cpu time spent up to now is 2180.7 secs Computing kpt #: 177 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2197.3 secs Computing kpt #: 178 total cpu time spent up to now is 2213.3 secs Computing kpt #: 179 total cpu time spent up to now is 2229.0 secs Computing kpt #: 180 total cpu time spent up to now is 2245.9 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2262.7 secs Computing kpt #: 182 total cpu time spent up to now is 2278.4 secs Computing kpt #: 183 total cpu time spent up to now is 2290.8 secs Computing kpt #: 184 total cpu time spent up to now is 2303.1 secs Computing kpt #: 185 total cpu time spent up to now is 2314.7 secs Computing kpt #: 186 total cpu time spent up to now is 2328.5 secs Computing kpt #: 187 total cpu time spent up to now is 2340.7 secs Computing kpt #: 188 total cpu time spent up to now is 2352.1 secs Computing kpt #: 189 total cpu time spent up to now is 2363.5 secs Computing kpt #: 190 total cpu time spent up to now is 2375.8 secs Computing kpt #: 191 total cpu time spent up to now is 2387.2 secs Computing kpt #: 192 total cpu time spent up to now is 2399.5 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2415.9 secs Computing kpt #: 194 total cpu time spent up to now is 2430.7 secs Computing kpt #: 195 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2447.1 secs Computing kpt #: 196 total cpu time spent up to now is 2463.0 secs Computing kpt #: 197 total cpu time spent up to now is 2473.1 secs Computing kpt #: 198 total cpu time spent up to now is 2482.6 secs Computing kpt #: 199 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2499.8 secs Computing kpt #: 200 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2516.7 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2533.2 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2549.8 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2567.6 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2584.7 secs Computing kpt #: 205 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2601.2 secs Computing kpt #: 206 total cpu time spent up to now is 2612.8 secs Computing kpt #: 207 total cpu time spent up to now is 2628.2 secs Computing kpt #: 208 total cpu time spent up to now is 2640.7 secs Computing kpt #: 209 total cpu time spent up to now is 2652.4 secs Computing kpt #: 210 total cpu time spent up to now is 2664.9 secs Computing kpt #: 211 total cpu time spent up to now is 2677.2 secs Computing kpt #: 212 total cpu time spent up to now is 2688.4 secs Computing kpt #: 213 total cpu time spent up to now is 2699.5 secs Computing kpt #: 214 total cpu time spent up to now is 2710.9 secs Computing kpt #: 215 total cpu time spent up to now is 2722.2 secs Computing kpt #: 216 total cpu time spent up to now is 2733.7 secs Computing kpt #: 217 total cpu time spent up to now is 2744.9 secs Computing kpt #: 218 total cpu time spent up to now is 2756.0 secs Computing kpt #: 219 total cpu time spent up to now is 2766.9 secs Computing kpt #: 220 total cpu time spent up to now is 2779.3 secs Computing kpt #: 221 total cpu time spent up to now is 2790.8 secs Computing kpt #: 222 total cpu time spent up to now is 2801.7 secs Computing kpt #: 223 total cpu time spent up to now is 2812.8 secs Computing kpt #: 224 total cpu time spent up to now is 2824.3 secs Computing kpt #: 225 total cpu time spent up to now is 2836.2 secs Computing kpt #: 226 total cpu time spent up to now is 2847.5 secs Computing kpt #: 227 total cpu time spent up to now is 2858.8 secs Computing kpt #: 228 total cpu time spent up to now is 2871.4 secs Computing kpt #: 229 total cpu time spent up to now is 2883.5 secs Computing kpt #: 230 total cpu time spent up to now is 2895.9 secs Computing kpt #: 231 total cpu time spent up to now is 2910.5 secs Computing kpt #: 232 total cpu time spent up to now is 2927.2 secs Computing kpt #: 233 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2944.0 secs Computing kpt #: 234 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2960.8 secs Computing kpt #: 235 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2977.7 secs Computing kpt #: 236 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2994.7 secs Computing kpt #: 237 total cpu time spent up to now is 3002.8 secs Computing kpt #: 238 total cpu time spent up to now is 3011.0 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3028.0 secs Computing kpt #: 240 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3044.7 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3061.7 secs Computing kpt #: 242 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3078.5 secs Computing kpt #: 243 total cpu time spent up to now is 3095.7 secs Computing kpt #: 244 total cpu time spent up to now is 3110.6 secs Computing kpt #: 245 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3127.6 secs Computing kpt #: 246 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3144.8 secs Computing kpt #: 247 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3161.8 secs Computing kpt #: 248 total cpu time spent up to now is 3178.2 secs Computing kpt #: 249 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3195.8 secs Computing kpt #: 250 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3212.9 secs Computing kpt #: 251 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3232.0 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3249.1 secs Computing kpt #: 253 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3266.3 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3283.3 secs Computing kpt #: 255 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3300.1 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3317.1 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3334.3 secs Computing kpt #: 258 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3350.8 secs Computing kpt #: 259 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3368.0 secs Computing kpt #: 260 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3385.3 secs Computing kpt #: 261 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3402.5 secs Computing kpt #: 262 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3419.6 secs Computing kpt #: 263 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3436.8 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3453.4 secs Computing kpt #: 265 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3470.3 secs Computing kpt #: 266 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3486.8 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3504.1 secs Computing kpt #: 268 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3521.3 secs Computing kpt #: 269 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3539.8 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3556.2 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3572.9 secs Computing kpt #: 272 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3589.9 secs Computing kpt #: 273 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3606.9 secs Computing kpt #: 274 total cpu time spent up to now is 3615.1 secs Computing kpt #: 275 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3631.4 secs Computing kpt #: 276 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3648.1 secs Computing kpt #: 277 total cpu time spent up to now is 3662.5 secs Computing kpt #: 278 total cpu time spent up to now is 3678.3 secs Computing kpt #: 279 total cpu time spent up to now is 3694.3 secs Computing kpt #: 280 total cpu time spent up to now is 3709.0 secs Computing kpt #: 281 total cpu time spent up to now is 3723.7 secs Computing kpt #: 282 total cpu time spent up to now is 3736.4 secs Computing kpt #: 283 total cpu time spent up to now is 3751.1 secs Computing kpt #: 284 total cpu time spent up to now is 3762.7 secs Computing kpt #: 285 total cpu time spent up to now is 3774.1 secs Computing kpt #: 286 total cpu time spent up to now is 3786.6 secs Computing kpt #: 287 total cpu time spent up to now is 3797.6 secs Computing kpt #: 288 total cpu time spent up to now is 3807.9 secs Computing kpt #: 289 total cpu time spent up to now is 3818.2 secs Computing kpt #: 290 total cpu time spent up to now is 3831.1 secs Computing kpt #: 291 total cpu time spent up to now is 3841.1 secs Computing kpt #: 292 total cpu time spent up to now is 3852.6 secs Computing kpt #: 293 total cpu time spent up to now is 3864.9 secs Computing kpt #: 294 total cpu time spent up to now is 3875.3 secs Computing kpt #: 295 total cpu time spent up to now is 3885.6 secs Computing kpt #: 296 total cpu time spent up to now is 3896.5 secs Computing kpt #: 297 total cpu time spent up to now is 3907.4 secs Computing kpt #: 298 total cpu time spent up to now is 3918.3 secs Computing kpt #: 299 total cpu time spent up to now is 3929.4 secs Computing kpt #: 300 total cpu time spent up to now is 3940.4 secs Computing kpt #: 301 total cpu time spent up to now is 3951.5 secs Computing kpt #: 302 total cpu time spent up to now is 3962.4 secs Computing kpt #: 303 total cpu time spent up to now is 3974.8 secs Computing kpt #: 304 total cpu time spent up to now is 3986.2 secs Computing kpt #: 305 total cpu time spent up to now is 3998.4 secs Computing kpt #: 306 total cpu time spent up to now is 4010.7 secs Computing kpt #: 307 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4027.7 secs Computing kpt #: 308 total cpu time spent up to now is 4037.5 secs ethr = 1.39E-11, avg # of iterations = 68.9 total cpu time spent up to now is 4038.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 16007 PWs) bands (ev): -9.0616 -9.0616 -8.8561 -8.8561 -7.3062 -7.3062 -7.1649 -7.1649 -7.0696 -7.0696 -6.9780 -6.9780 -6.9124 -6.9124 -6.8827 -6.8827 -4.0231 -4.0231 -3.6939 -3.6939 -2.3666 -2.3666 -1.8902 -1.8902 0.6613 0.6613 0.6875 0.6875 1.1534 1.1534 1.3598 1.3598 1.7181 1.7181 1.8190 1.8190 1.8267 1.8267 2.1198 2.1198 2.8238 2.8238 2.9988 2.9988 3.1235 3.1235 3.1703 3.1703 3.3928 3.3928 3.4230 3.4230 3.4486 3.4486 3.7540 3.7540 3.7786 3.7786 3.8505 3.8505 4.0308 4.0308 4.0445 4.0445 4.2070 4.2070 4.3791 4.3791 4.4641 4.4641 4.5893 4.5893 6.4798 6.4798 6.7961 6.7961 7.1325 7.1325 7.2241 7.2241 7.2731 7.2731 7.5305 7.5305 7.9342 7.9342 k = 0.0128-0.0000-0.0000 ( 16015 PWs) bands (ev): -9.0606 -9.0606 -8.8551 -8.8551 -7.3056 -7.3056 -7.1647 -7.1647 -7.0691 -7.0691 -6.9778 -6.9778 -6.9120 -6.9120 -6.8822 -6.8822 -4.0236 -4.0236 -3.6950 -3.6950 -2.3672 -2.3672 -1.8915 -1.8915 0.6619 0.6619 0.6869 0.6869 1.1498 1.1498 1.3531 1.3531 1.7153 1.7153 1.8182 1.8182 1.8302 1.8302 2.1213 2.1213 2.8211 2.8211 2.9793 2.9793 3.1113 3.1113 3.1886 3.1886 3.3832 3.3832 3.4267 3.4267 3.4441 3.4441 3.7334 3.7334 3.7950 3.7950 3.8648 3.8648 4.0070 4.0070 4.0711 4.0711 4.2053 4.2053 4.3799 4.3799 4.4678 4.4678 4.5923 4.5923 6.4823 6.4823 6.7975 6.7975 7.1278 7.1278 7.2299 7.2299 7.2789 7.2789 7.5281 7.5281 7.9270 7.9270 k = 0.0256-0.0000-0.0000 ( 16021 PWs) bands (ev): -9.0574 -9.0574 -8.8521 -8.8521 -7.3038 -7.3038 -7.1640 -7.1640 -7.0675 -7.0675 -6.9773 -6.9773 -6.9108 -6.9108 -6.8807 -6.8807 -4.0251 -4.0251 -3.6984 -3.6984 -2.3689 -2.3689 -1.8953 -1.8953 0.6638 0.6638 0.6851 0.6851 1.1391 1.1391 1.3331 1.3331 1.7076 1.7076 1.8167 1.8167 1.8390 1.8390 2.1256 2.1256 2.8093 2.8093 2.9326 2.9326 3.0955 3.0955 3.2138 3.2138 3.3616 3.3616 3.4206 3.4206 3.4438 3.4438 3.7185 3.7185 3.7858 3.7858 3.9105 3.9105 3.9939 3.9939 4.0979 4.0979 4.2012 4.2012 4.3830 4.3830 4.4782 4.4782 4.6008 4.6008 6.4897 6.4897 6.8015 6.8015 7.1169 7.1169 7.2445 7.2445 7.2954 7.2954 7.5214 7.5214 7.8989 7.8989 k = 0.0385-0.0000-0.0000 ( 16029 PWs) bands (ev): -9.0522 -9.0522 -8.8471 -8.8471 -7.3008 -7.3008 -7.1630 -7.1630 -7.0648 -7.0648 -6.9765 -6.9765 -6.9087 -6.9087 -6.8782 -6.8782 -4.0274 -4.0274 -3.7041 -3.7041 -2.3717 -2.3717 -1.9018 -1.9018 0.6668 0.6668 0.6820 0.6820 1.1217 1.1217 1.3012 1.3012 1.6964 1.6964 1.8150 1.8150 1.8513 1.8513 2.1323 2.1323 2.7776 2.7776 2.8791 2.8791 3.0850 3.0850 3.2253 3.2253 3.3333 3.3333 3.4033 3.4033 3.4514 3.4514 3.7164 3.7164 3.7551 3.7551 3.9473 3.9473 4.0233 4.0233 4.1167 4.1167 4.1968 4.1968 4.3895 4.3895 4.4933 4.4933 4.6133 4.6133 6.5019 6.5019 6.8081 6.8081 7.1050 7.1050 7.2639 7.2639 7.3200 7.3200 7.5116 7.5116 7.8554 7.8554 k = 0.0513-0.0000-0.0000 ( 16031 PWs) bands (ev): -9.0450 -9.0450 -8.8402 -8.8402 -7.2966 -7.2966 -7.1615 -7.1615 -7.0610 -7.0610 -6.9755 -6.9755 -6.9058 -6.9058 -6.8748 -6.8748 -4.0307 -4.0307 -3.7119 -3.7119 -2.3759 -2.3759 -1.9110 -1.9110 0.6709 0.6709 0.6778 0.6778 1.0985 1.0985 1.2590 1.2590 1.6827 1.6827 1.8137 1.8137 1.8658 1.8658 2.1404 2.1404 2.7201 2.7201 2.8280 2.8280 3.0821 3.0821 3.2164 3.2164 3.3010 3.3010 3.3866 3.3866 3.4592 3.4592 3.6962 3.6962 3.7422 3.7422 3.9656 3.9656 4.0850 4.0850 4.1307 4.1307 4.1961 4.1961 4.3999 4.3999 4.5104 4.5104 4.6284 4.6284 6.5186 6.5186 6.8169 6.8169 7.0950 7.0950 7.2851 7.2851 7.3496 7.3496 7.5009 7.5009 7.8119 7.8119 k = 0.0641-0.0000-0.0000 ( 16037 PWs) bands (ev): -9.0356 -9.0356 -8.8313 -8.8313 -7.2913 -7.2913 -7.1598 -7.1598 -7.0562 -7.0562 -6.9741 -6.9741 -6.9021 -6.9021 -6.8704 -6.8704 -4.0349 -4.0349 -3.7219 -3.7219 -2.3813 -2.3813 -1.9228 -1.9228 0.6713 0.6713 0.6770 0.6770 1.0704 1.0704 1.2084 1.2084 1.6664 1.6664 1.8132 1.8132 1.8818 1.8818 2.1492 2.1492 2.6458 2.6458 2.7741 2.7741 3.0851 3.0851 3.1865 3.1865 3.2680 3.2680 3.3728 3.3728 3.4665 3.4665 3.6486 3.6486 3.7587 3.7587 3.9866 3.9866 4.1223 4.1223 4.1490 4.1490 4.2206 4.2206 4.4128 4.4128 4.5278 4.5278 4.6443 4.6443 6.5397 6.5397 6.8275 6.8275 7.0883 7.0883 7.3044 7.3044 7.3813 7.3813 7.4932 7.4932 7.7738 7.7738 k = 0.0769-0.0000-0.0000 ( 16031 PWs) bands (ev): -9.0242 -9.0242 -8.8205 -8.8205 -7.2849 -7.2849 -7.1577 -7.1577 -7.0504 -7.0504 -6.9726 -6.9726 -6.8976 -6.8976 -6.8651 -6.8651 -4.0400 -4.0400 -3.7338 -3.7338 -2.3881 -2.3881 -1.9374 -1.9374 0.6644 0.6644 0.6830 0.6830 1.0384 1.0384 1.1514 1.1514 1.6471 1.6471 1.8136 1.8136 1.8990 1.8990 2.1577 2.1577 2.5645 2.5645 2.7143 2.7143 3.0854 3.0854 3.1410 3.1410 3.2355 3.2355 3.3617 3.3617 3.4738 3.4738 3.5995 3.5995 3.7795 3.7795 4.0120 4.0120 4.1327 4.1327 4.1553 4.1553 4.2845 4.2845 4.4264 4.4264 4.5451 4.5451 4.6595 4.6595 6.5649 6.5649 6.8397 6.8397 7.0855 7.0855 7.3165 7.3165 7.4119 7.4119 7.4930 7.4930 7.7438 7.7438 k = 0.0897-0.0000-0.0000 ( 16030 PWs) bands (ev): -9.0108 -9.0108 -8.8077 -8.8077 -7.2774 -7.2774 -7.1553 -7.1553 -7.0436 -7.0436 -6.9709 -6.9709 -6.8923 -6.8923 -6.8590 -6.8590 -4.0458 -4.0458 -3.7477 -3.7477 -2.3963 -2.3963 -1.9548 -1.9548 0.6558 0.6558 0.6902 0.6902 1.0036 1.0036 1.0900 1.0900 1.6240 1.6240 1.8153 1.8153 1.9175 1.9175 2.1652 2.1652 2.4812 2.4812 2.6506 2.6506 3.0651 3.0651 3.0941 3.0941 3.2044 3.2044 3.3541 3.3541 3.4796 3.4796 3.5560 3.5560 3.7993 3.7993 4.0360 4.0360 4.1380 4.1380 4.1630 4.1630 4.3532 4.3532 4.4390 4.4390 4.5644 4.5644 4.6728 4.6728 6.5940 6.5940 6.8532 6.8532 7.0865 7.0865 7.3177 7.3177 7.4380 7.4380 7.5026 7.5026 7.7241 7.7241 k = 0.1026-0.0000-0.0000 ( 16012 PWs) bands (ev): -8.9953 -8.9953 -8.7930 -8.7930 -7.2689 -7.2689 -7.1528 -7.1528 -7.0358 -7.0358 -6.9691 -6.9691 -6.8864 -6.8864 -6.8521 -6.8521 -4.0524 -4.0524 -3.7632 -3.7632 -2.4062 -2.4062 -1.9752 -1.9752 0.6456 0.6456 0.6979 0.6979 0.9672 0.9672 1.0260 1.0260 1.5964 1.5964 1.8179 1.8179 1.9372 1.9372 2.1707 2.1707 2.3986 2.3986 2.5856 2.5856 3.0088 3.0088 3.0580 3.0580 3.1766 3.1766 3.3502 3.3502 3.4753 3.4753 3.5291 3.5291 3.8168 3.8168 4.0480 4.0480 4.1506 4.1506 4.1787 4.1787 4.4087 4.4087 4.4496 4.4496 4.5915 4.5915 4.6832 4.6832 6.6267 6.6267 6.8676 6.8676 7.0911 7.0911 7.3094 7.3094 7.4574 7.4574 7.5174 7.5174 7.7159 7.7159 k = 0.1154-0.0000-0.0000 ( 16024 PWs) bands (ev): -8.9779 -8.9779 -8.7764 -8.7764 -7.2596 -7.2596 -7.1502 -7.1502 -7.0270 -7.0270 -6.9673 -6.9673 -6.8797 -6.8797 -6.8444 -6.8444 -4.0596 -4.0596 -3.7804 -3.7804 -2.4179 -2.4179 -1.9985 -1.9985 0.6338 0.6338 0.7055 0.7055 0.9298 0.9298 0.9613 0.9613 1.5635 1.5635 1.8212 1.8212 1.9580 1.9580 2.1734 2.1734 2.3185 2.3185 2.5219 2.5219 2.9424 2.9424 3.0106 3.0106 3.1517 3.1517 3.3473 3.3473 3.4525 3.4525 3.5285 3.5285 3.8322 3.8322 4.0438 4.0438 4.1750 4.1750 4.2007 4.2007 4.4428 4.4428 4.4570 4.4570 4.6312 4.6312 4.6911 4.6911 6.6629 6.6629 6.8826 6.8826 7.0988 7.0988 7.2958 7.2958 7.4713 7.4713 7.5280 7.5280 7.7204 7.7204 k = 0.1282-0.0000-0.0000 ( 16024 PWs) bands (ev): -8.9584 -8.9584 -8.7579 -8.7579 -7.2495 -7.2495 -7.1475 -7.1475 -7.0174 -7.0174 -6.9655 -6.9655 -6.8725 -6.8725 -6.8360 -6.8360 -4.0674 -4.0674 -3.7989 -3.7989 -2.4315 -2.4315 -2.0249 -2.0249 0.6203 0.6203 0.7119 0.7119 0.8856 0.8856 0.9051 0.9051 1.5247 1.5247 1.8246 1.8246 1.9800 1.9800 2.1713 2.1713 2.2436 2.2436 2.4612 2.4612 2.8744 2.8744 2.9513 2.9513 3.1279 3.1279 3.3406 3.3406 3.4278 3.4278 3.5385 3.5385 3.8460 3.8460 4.0301 4.0301 4.1991 4.1991 4.2314 4.2314 4.4534 4.4534 4.4651 4.4651 4.6715 4.6715 4.7050 4.7050 6.7024 6.7024 6.8975 6.8975 7.1091 7.1091 7.2808 7.2808 7.4831 7.4831 7.5293 7.5293 7.7385 7.7385 k = 0.1410-0.0000-0.0000 ( 16010 PWs) bands (ev): -8.9370 -8.9370 -8.7375 -8.7375 -7.2386 -7.2386 -7.1450 -7.1450 -7.0069 -7.0069 -6.9637 -6.9637 -6.8646 -6.8646 -6.8269 -6.8269 -4.0756 -4.0756 -3.8185 -3.8185 -2.4471 -2.4471 -2.0544 -2.0544 0.6050 0.6050 0.7148 0.7148 0.8244 0.8244 0.8716 0.8716 1.4797 1.4797 1.8272 1.8272 2.0027 2.0027 2.1496 2.1496 2.1889 2.1889 2.4053 2.4053 2.8081 2.8081 2.8842 2.8842 3.1046 3.1046 3.3263 3.3263 3.4097 3.4097 3.5502 3.5502 3.8588 3.8588 4.0120 4.0120 4.2154 4.2154 4.2686 4.2686 4.4454 4.4454 4.4772 4.4772 4.6812 4.6812 4.7482 4.7482 6.7449 6.7449 6.9111 6.9111 7.1224 7.1224 7.2671 7.2671 7.4963 7.4963 7.5242 7.5242 7.7673 7.7673 k = 0.1538-0.0000-0.0000 ( 16016 PWs) bands (ev): -8.9136 -8.9136 -8.7153 -8.7153 -7.2273 -7.2273 -7.1426 -7.1426 -6.9956 -6.9956 -6.9620 -6.9620 -6.8563 -6.8563 -6.8174 -6.8174 -4.0842 -4.0842 -3.8390 -3.8390 -2.4649 -2.4649 -2.0871 -2.0871 0.5876 0.5876 0.7103 0.7103 0.7615 0.7615 0.8507 0.8507 1.4286 1.4286 1.8275 1.8275 2.0255 2.0255 2.0904 2.0904 2.1732 2.1732 2.3556 2.3556 2.7457 2.7457 2.8127 2.8127 3.0823 3.0823 3.3057 3.3057 3.3972 3.3972 3.5604 3.5604 3.8707 3.8707 3.9914 3.9914 4.2236 4.2236 4.3070 4.3070 4.4291 4.4291 4.4893 4.4893 4.6780 4.6780 4.7972 4.7972 6.7903 6.7903 6.9221 6.9221 7.1396 7.1396 7.2567 7.2567 7.5102 7.5102 7.5219 7.5219 7.8019 7.8019 k = 0.1667-0.0000-0.0000 ( 16008 PWs) bands (ev): -8.8883 -8.8883 -8.6913 -8.6913 -7.2155 -7.2155 -7.1406 -7.1406 -6.9836 -6.9836 -6.9604 -6.9604 -6.8474 -6.8474 -6.8073 -6.8073 -4.0929 -4.0929 -3.8601 -3.8601 -2.4850 -2.4850 -2.1229 -2.1229 0.5678 0.5678 0.6922 0.6922 0.7043 0.7043 0.8429 0.8429 1.3718 1.3718 1.8231 1.8231 2.0244 2.0244 2.0518 2.0518 2.1628 2.1628 2.3136 2.3136 2.6889 2.6889 2.7391 2.7391 3.0619 3.0619 3.2828 3.2828 3.3858 3.3858 3.5677 3.5677 3.8816 3.8816 3.9690 3.9690 4.2223 4.2223 4.3432 4.3432 4.4075 4.4075 4.5024 4.5024 4.6712 4.6712 4.8403 4.8403 6.8383 6.8383 6.9290 6.9290 7.1619 7.1619 7.2507 7.2507 7.5140 7.5140 7.5394 7.5394 7.8380 7.8380 k = 0.1795-0.0000-0.0000 ( 16028 PWs) bands (ev): -8.8610 -8.8610 -8.6655 -8.6655 -7.2037 -7.2037 -7.1390 -7.1390 -6.9710 -6.9710 -6.9589 -6.9589 -6.8381 -6.8381 -6.7968 -6.7968 -4.1017 -4.1017 -3.8814 -3.8814 -2.5077 -2.5077 -2.1619 -2.1619 0.5444 0.5444 0.6417 0.6417 0.6749 0.6749 0.8468 0.8468 1.3102 1.3102 1.8093 1.8093 1.9715 1.9715 2.0683 2.0683 2.1532 2.1532 2.2803 2.2803 2.6387 2.6387 2.6659 2.6659 3.0441 3.0441 3.2603 3.2603 3.3724 3.3724 3.5715 3.5715 3.8912 3.8912 3.9453 3.9453 4.2106 4.2106 4.3721 4.3721 4.3856 4.3856 4.5165 4.5165 4.6625 4.6625 4.8746 4.8746 6.8880 6.8880 6.9317 6.9317 7.1902 7.1902 7.2503 7.2503 7.5212 7.5212 7.5663 7.5663 7.8731 7.8731 k = 0.1923-0.0000-0.0000 ( 16020 PWs) bands (ev): -8.8320 -8.8320 -8.6380 -8.6380 -7.1921 -7.1921 -7.1380 -7.1380 -6.9594 -6.9594 -6.9557 -6.9557 -6.8285 -6.8285 -6.7861 -6.7861 -4.1102 -4.1102 -3.9028 -3.9028 -2.5329 -2.5329 -2.2041 -2.2041 0.5156 0.5156 0.5920 0.5920 0.6467 0.6467 0.8585 0.8585 1.2450 1.2450 1.7802 1.7802 1.9299 1.9299 2.0747 2.0747 2.1508 2.1508 2.2568 2.2568 2.5868 2.5868 2.6039 2.6039 3.0294 3.0294 3.2394 3.2394 3.3555 3.3555 3.5714 3.5714 3.8974 3.8974 3.9224 3.9224 4.1885 4.1885 4.3522 4.3522 4.4054 4.4054 4.5312 4.5312 4.6526 4.6526 4.8991 4.8991 6.9232 6.9232 6.9465 6.9465 7.2245 7.2245 7.2566 7.2566 7.5370 7.5370 7.5982 7.5982 7.9050 7.9050 k = 0.2051-0.0000-0.0000 ( 16024 PWs) bands (ev): -8.8011 -8.8011 -8.6088 -8.6088 -7.1810 -7.1810 -7.1378 -7.1378 -6.9567 -6.9567 -6.9430 -6.9430 -6.8186 -6.8186 -6.7751 -6.7751 -4.1183 -4.1183 -3.9237 -3.9237 -2.5608 -2.5608 -2.2493 -2.2493 0.4788 0.4788 0.5512 0.5512 0.6173 0.6173 0.8748 0.8748 1.1776 1.1776 1.7341 1.7341 1.9020 1.9020 2.0635 2.0635 2.1600 2.1600 2.2443 2.2443 2.5193 2.5193 2.5692 2.5692 3.0180 3.0180 3.2207 3.2207 3.3341 3.3341 3.5676 3.5676 3.8857 3.8857 3.9149 3.9149 4.1569 4.1569 4.3232 4.3232 4.4269 4.4269 4.5452 4.5452 4.6419 4.6419 4.9133 4.9133 6.9195 6.9195 6.9990 6.9990 7.2589 7.2589 7.2752 7.2752 7.5618 7.5618 7.6342 7.6342 7.9324 7.9324 k = 0.2179-0.0000-0.0000 ( 16020 PWs) bands (ev): -8.7684 -8.7684 -8.5780 -8.5780 -7.1710 -7.1710 -7.1386 -7.1386 -6.9549 -6.9549 -6.9287 -6.9287 -6.8086 -6.8086 -6.7640 -6.7640 -4.1258 -4.1258 -3.9440 -3.9440 -2.5916 -2.5916 -2.2976 -2.2976 0.4357 0.4357 0.5185 0.5185 0.5882 0.5882 0.8937 0.8937 1.1095 1.1095 1.6766 1.6766 1.8821 1.8821 2.0409 2.0409 2.1720 2.1720 2.2442 2.2442 2.4542 2.4542 2.5460 2.5460 3.0101 3.0101 3.2040 3.2040 3.3080 3.3080 3.5602 3.5602 3.8590 3.8590 3.9202 3.9202 4.1176 4.1176 4.2930 4.2930 4.4417 4.4417 4.5575 4.5575 4.6306 4.6306 4.9174 4.9174 6.9115 6.9115 7.0559 7.0559 7.2824 7.2824 7.3165 7.3165 7.5944 7.5944 7.6741 7.6741 7.9546 7.9546 k = 0.2308-0.0000-0.0000 ( 16038 PWs) bands (ev): -8.7339 -8.7339 -8.5455 -8.5455 -7.1626 -7.1626 -7.1404 -7.1404 -6.9526 -6.9526 -6.9137 -6.9137 -6.7984 -6.7984 -6.7529 -6.7529 -4.1324 -4.1324 -3.9631 -3.9631 -2.6251 -2.6251 -2.3487 -2.3487 0.3905 0.3905 0.4900 0.4900 0.5602 0.5602 0.9122 0.9122 1.0440 1.0440 1.6138 1.6138 1.8644 1.8644 2.0129 2.0129 2.1798 2.1798 2.2546 2.2546 2.3973 2.3973 2.5318 2.5318 3.0057 3.0057 3.1889 3.1889 3.2771 3.2771 3.5495 3.5495 3.8292 3.8292 3.9263 3.9263 4.0730 4.0730 4.2620 4.2620 4.4491 4.4491 4.5672 4.5672 4.6189 4.6189 4.9120 4.9120 6.9026 6.9026 7.1150 7.1150 7.3083 7.3083 7.3661 7.3661 7.6332 7.6332 7.7175 7.7175 7.9710 7.9710 k = 0.2436-0.0000-0.0000 ( 16040 PWs) bands (ev): -8.6978 -8.6978 -8.5116 -8.5116 -7.1564 -7.1564 -7.1434 -7.1434 -6.9493 -6.9493 -6.8984 -6.8984 -6.7882 -6.7882 -6.7418 -6.7418 -4.1379 -4.1379 -3.9808 -3.9808 -2.6615 -2.6615 -2.4026 -2.4026 0.3460 0.3460 0.4628 0.4628 0.5336 0.5336 0.9171 0.9171 0.9945 0.9945 1.5494 1.5494 1.8461 1.8461 1.9821 1.9821 2.1847 2.1847 2.2613 2.2613 2.3599 2.3599 2.5257 2.5257 3.0046 3.0046 3.1742 3.1742 3.2422 3.2422 3.5359 3.5359 3.7977 3.7977 3.9318 3.9318 4.0255 4.0255 4.2302 4.2302 4.4490 4.4490 4.5734 4.5734 4.6068 4.6068 4.8980 4.8980 6.8944 6.8944 7.1758 7.1758 7.3395 7.3395 7.4192 7.4192 7.6767 7.6767 7.7643 7.7643 7.9817 7.9817 k = 0.2564-0.0000-0.0000 ( 16042 PWs) bands (ev): -8.6600 -8.6600 -8.4761 -8.4761 -7.1533 -7.1533 -7.1480 -7.1480 -6.9446 -6.9446 -6.8828 -6.8828 -6.7780 -6.7780 -6.7309 -6.7309 -4.1420 -4.1420 -3.9967 -3.9967 -2.7007 -2.7007 -2.4590 -2.4590 0.3035 0.3035 0.4359 0.4359 0.5086 0.5086 0.8768 0.8768 0.9932 0.9932 1.4855 1.4855 1.8265 1.8265 1.9493 1.9493 2.1891 2.1891 2.2432 2.2432 2.3597 2.3597 2.5269 2.5269 3.0064 3.0064 3.1571 3.1571 3.2058 3.2058 3.5200 3.5200 3.7645 3.7645 3.9348 3.9348 3.9790 3.9790 4.1980 4.1980 4.4417 4.4417 4.5747 4.5747 4.5947 4.5947 4.8764 4.8764 6.8879 6.8879 7.2378 7.2378 7.3755 7.3755 7.4745 7.4745 7.7232 7.7232 7.8140 7.8140 7.9873 7.9873 k = 0.2692-0.0000-0.0000 ( 16040 PWs) bands (ev): -8.6207 -8.6207 -8.4392 -8.4392 -7.1546 -7.1546 -7.1532 -7.1532 -6.9382 -6.9382 -6.8670 -6.8670 -6.7680 -6.7680 -6.7202 -6.7202 -4.1445 -4.1445 -4.0104 -4.0104 -2.7426 -2.7426 -2.5178 -2.5178 0.2636 0.2636 0.4089 0.4089 0.4849 0.4849 0.8154 0.8154 1.0164 1.0164 1.4238 1.4238 1.8058 1.8058 1.9145 1.9145 2.1927 2.1927 2.2125 2.2125 2.3843 2.3843 2.5345 2.5345 3.0108 3.0108 3.1293 3.1293 3.1761 3.1761 3.5024 3.5024 3.7295 3.7295 3.9171 3.9171 3.9532 3.9532 4.1655 4.1655 4.4282 4.4282 4.5683 4.5683 4.5847 4.5847 4.8483 4.8483 6.8836 6.8836 7.3003 7.3003 7.4151 7.4151 7.5310 7.5310 7.7714 7.7714 7.8655 7.8655 7.9895 7.9895 k = 0.2821-0.0000-0.0000 ( 16052 PWs) bands (ev): -8.5797 -8.5797 -8.4009 -8.4009 -7.1623 -7.1623 -7.1579 -7.1579 -6.9299 -6.9299 -6.8511 -6.8511 -6.7582 -6.7582 -6.7098 -6.7098 -4.1450 -4.1450 -4.0216 -4.0216 -2.7871 -2.7871 -2.5786 -2.5786 0.2267 0.2267 0.3818 0.3818 0.4621 0.4621 0.7518 0.7518 1.0456 1.0456 1.3655 1.3655 1.7845 1.7845 1.8781 1.8781 2.1764 2.1764 2.2045 2.2045 2.4169 2.4169 2.5478 2.5478 3.0168 3.0168 3.0863 3.0863 3.1582 3.1582 3.4839 3.4839 3.6926 3.6926 3.8743 3.8743 3.9537 3.9537 4.1331 4.1331 4.4098 4.4098 4.5533 4.5533 4.5769 4.5769 4.8148 4.8148 6.8821 6.8821 7.3627 7.3627 7.4568 7.4568 7.5882 7.5882 7.8193 7.8193 7.9151 7.9151 7.9932 7.9932 k = 0.2949-0.0000-0.0000 ( 16052 PWs) bands (ev): -8.5374 -8.5374 -8.3614 -8.3614 -7.1722 -7.1722 -7.1665 -7.1665 -6.9196 -6.9196 -6.8352 -6.8352 -6.7488 -6.7488 -6.6998 -6.6998 -4.1434 -4.1434 -4.0299 -4.0299 -2.8341 -2.8341 -2.6413 -2.6413 0.1928 0.1928 0.3548 0.3548 0.4394 0.4394 0.6894 0.6894 1.0777 1.0777 1.3117 1.3117 1.7630 1.7630 1.8407 1.8407 2.1521 2.1521 2.2110 2.2110 2.4520 2.4520 2.5658 2.5658 3.0223 3.0223 3.0359 3.0359 3.1458 3.1458 3.4653 3.4653 3.6539 3.6539 3.8309 3.8309 3.9570 3.9570 4.1011 4.1011 4.3876 4.3876 4.5331 4.5331 4.5676 4.5676 4.7771 4.7771 6.8835 6.8835 7.4242 7.4242 7.4988 7.4988 7.6454 7.6454 7.8632 7.8632 7.9509 7.9509 8.0142 8.0142 k = 0.3077-0.0000-0.0000 ( 16058 PWs) bands (ev): -8.4936 -8.4936 -8.3206 -8.3206 -7.1843 -7.1843 -7.1794 -7.1794 -6.9076 -6.9076 -6.8192 -6.8192 -6.7398 -6.7398 -6.6903 -6.6903 -4.1393 -4.1393 -4.0352 -4.0352 -2.8834 -2.8834 -2.7056 -2.7056 0.1619 0.1619 0.3280 0.3280 0.4164 0.4164 0.6293 0.6293 1.1116 1.1116 1.2637 1.2637 1.7414 1.7414 1.8037 1.8037 2.1332 2.1332 2.2188 2.2188 2.4874 2.4874 2.5878 2.5878 2.9786 2.9786 3.0295 3.0295 3.1367 3.1367 3.4472 3.4472 3.6143 3.6143 3.7902 3.7902 3.9598 3.9598 4.0698 4.0698 4.3632 4.3632 4.5090 4.5090 4.5554 4.5554 4.7361 4.7361 6.8879 6.8879 7.4836 7.4836 7.5394 7.5394 7.7020 7.7020 7.8937 7.8937 7.9748 7.9748 8.0607 8.0607 k = 0.3205-0.0000-0.0000 ( 16056 PWs) bands (ev): -8.4485 -8.4485 -8.2787 -8.2787 -7.1987 -7.1987 -7.1962 -7.1962 -6.8943 -6.8943 -6.8035 -6.8035 -6.7313 -6.7313 -6.6814 -6.6814 -4.1327 -4.1327 -4.0370 -4.0370 -2.9348 -2.9348 -2.7712 -2.7712 0.1341 0.1341 0.3015 0.3015 0.3925 0.3925 0.5723 0.5723 1.1461 1.1461 1.2231 1.2231 1.7188 1.7188 1.7695 1.7695 2.1198 2.1198 2.2269 2.2269 2.5213 2.5213 2.6130 2.6130 2.9209 2.9209 3.0309 3.0309 3.1325 3.1325 3.4300 3.4300 3.5748 3.5748 3.7525 3.7525 3.9613 3.9613 4.0397 4.0397 4.3377 4.3377 4.4812 4.4812 4.5405 4.5405 4.6927 4.6927 6.8951 6.8951 7.5381 7.5381 7.5781 7.5781 7.7572 7.7572 7.9045 7.9045 8.0115 8.0115 8.1159 8.1159 k = 0.3333-0.0000-0.0000 ( 16056 PWs) bands (ev): -8.4022 -8.4022 -8.2358 -8.2358 -7.2172 -7.2172 -7.2151 -7.2151 -6.8799 -6.8799 -6.7880 -6.7880 -6.7235 -6.7235 -6.6730 -6.6730 -4.1232 -4.1232 -4.0352 -4.0352 -2.9880 -2.9880 -2.8377 -2.8377 0.1092 0.1092 0.2756 0.2756 0.3670 0.3670 0.5186 0.5186 1.1714 1.1714 1.2001 1.2001 1.6929 1.6929 1.7417 1.7417 2.1110 2.1110 2.2350 2.2350 2.5522 2.5522 2.6404 2.6404 2.8623 2.8623 3.0269 3.0269 3.1351 3.1351 3.4134 3.4134 3.5370 3.5370 3.7179 3.7179 3.9607 3.9607 4.0112 4.0112 4.3121 4.3121 4.4498 4.4498 4.5233 4.5233 4.6479 4.6479 6.9050 6.9050 7.5785 7.5785 7.6198 7.6198 7.8092 7.8092 7.9101 7.9101 8.0581 8.0581 8.1685 8.1685 k = 0.3462-0.0000-0.0000 ( 16058 PWs) bands (ev): -8.3547 -8.3547 -8.1920 -8.1920 -7.2416 -7.2416 -7.2343 -7.2343 -6.8648 -6.8648 -6.7728 -6.7728 -6.7163 -6.7163 -6.6653 -6.6653 -4.1107 -4.1107 -4.0297 -4.0297 -3.0428 -3.0428 -2.9050 -2.9050 0.0874 0.0874 0.2505 0.2505 0.3397 0.3397 0.4685 0.4685 1.1551 1.1551 1.2274 1.2274 1.6628 1.6628 1.7218 1.7218 2.1059 2.1059 2.2426 2.2426 2.5778 2.5778 2.6687 2.6687 2.8045 2.8045 3.0190 3.0190 3.1442 3.1442 3.3969 3.3969 3.5027 3.5027 3.6863 3.6863 3.9560 3.9560 3.9862 3.9862 4.2873 4.2873 4.4150 4.4150 4.5042 4.5042 4.6025 4.6025 6.9176 6.9176 7.5960 7.5960 7.6690 7.6690 7.8546 7.8546 7.9255 7.9255 8.1075 8.1075 8.1910 8.1910 k = 0.3590-0.0000-0.0000 ( 16064 PWs) bands (ev): -8.3061 -8.3061 -8.1473 -8.1473 -7.2694 -7.2694 -7.2559 -7.2559 -6.8493 -6.8493 -6.7580 -6.7580 -6.7099 -6.7099 -6.6584 -6.6584 -4.0951 -4.0951 -4.0203 -4.0203 -3.0988 -3.0988 -2.9726 -2.9726 0.0686 0.0686 0.2264 0.2264 0.3107 0.3107 0.4221 0.4221 1.1370 1.1370 1.2649 1.2649 1.6310 1.6310 1.7082 1.7082 2.1039 2.1039 2.2493 2.2493 2.5954 2.5954 2.6924 2.6924 2.7532 2.7532 3.0113 3.0113 3.1579 3.1579 3.3795 3.3795 3.4732 3.4732 3.6579 3.6579 3.9418 3.9418 3.9701 3.9701 4.2639 4.2639 4.3771 4.3771 4.4837 4.4837 4.5575 4.5575 6.9325 6.9325 7.5945 7.5945 7.7198 7.7198 7.8918 7.8918 7.9567 7.9567 8.1558 8.1558 8.1945 8.1945 k = 0.3718-0.0000-0.0000 ( 16054 PWs) bands (ev): -8.2566 -8.2566 -8.1019 -8.1019 -7.3004 -7.3004 -7.2799 -7.2799 -6.8337 -6.8337 -6.7437 -6.7437 -6.7045 -6.7045 -6.6523 -6.6523 -4.0762 -4.0762 -4.0069 -4.0069 -3.1559 -3.1559 -3.0403 -3.0403 0.0526 0.0526 0.2036 0.2036 0.2804 0.2804 0.3791 0.3791 1.1258 1.1258 1.3034 1.3034 1.5996 1.5996 1.6987 1.6987 2.1045 2.1045 2.2548 2.2548 2.6020 2.6020 2.6756 2.6756 2.7454 2.7454 3.0084 3.0084 3.1740 3.1740 3.3609 3.3609 3.4492 3.4492 3.6334 3.6334 3.9196 3.9196 3.9614 3.9614 4.2421 4.2421 4.3365 4.3365 4.4621 4.4621 4.5140 4.5140 6.9496 6.9496 7.5786 7.5786 7.7693 7.7693 7.9260 7.9260 7.9974 7.9974 8.1867 8.1867 8.2142 8.2142 k = 0.3846-0.0000-0.0000 ( 16048 PWs) bands (ev): -8.2063 -8.2063 -8.0559 -8.0559 -7.3344 -7.3344 -7.3064 -7.3064 -6.8183 -6.8183 -6.7300 -6.7300 -6.7000 -6.7000 -6.6470 -6.6470 -4.0541 -4.0541 -3.9894 -3.9894 -3.2136 -3.2136 -3.1079 -3.1079 0.0396 0.0396 0.1823 0.1823 0.2495 0.2495 0.3393 0.3393 1.1218 1.1218 1.3416 1.3416 1.5700 1.5700 1.6922 1.6922 2.1072 2.1072 2.2588 2.2588 2.5933 2.5933 2.6303 2.6303 2.7716 2.7716 3.0130 3.0130 3.1905 3.1905 3.3419 3.3419 3.4302 3.4302 3.6131 3.6131 3.8960 3.8960 3.9542 3.9542 4.2217 4.2217 4.2938 4.2938 4.4393 4.4393 4.4738 4.4738 6.9687 6.9687 7.5526 7.5526 7.8167 7.8167 7.9618 7.9618 8.0391 8.0391 8.1934 8.1934 8.2581 8.2581 k = 0.3974-0.0000-0.0000 ( 16050 PWs) bands (ev): -8.1552 -8.1552 -8.0095 -8.0095 -7.3712 -7.3712 -7.3354 -7.3354 -6.8032 -6.8032 -6.7170 -6.7170 -6.6965 -6.6965 -6.6427 -6.6427 -4.0287 -4.0287 -3.9679 -3.9679 -3.2718 -3.2718 -3.1749 -3.1749 0.0294 0.0294 0.1629 0.1629 0.2190 0.2190 0.3023 0.3023 1.1245 1.1245 1.3778 1.3778 1.5434 1.5434 1.6879 1.6879 2.1120 2.1120 2.2610 2.2610 2.5620 2.5620 2.5955 2.5955 2.8016 2.8016 3.0252 3.0252 3.2059 3.2059 3.3243 3.3243 3.4153 3.4153 3.5976 3.5976 3.8732 3.8732 3.9469 3.9469 4.2017 4.2017 4.2497 4.2497 4.4140 4.4140 4.4399 4.4399 6.9898 6.9898 7.5203 7.5203 7.8617 7.8617 7.9994 7.9994 8.0770 8.0770 8.2002 8.2002 8.3024 8.3024 k = 0.4103-0.0000-0.0000 ( 16058 PWs) bands (ev): -8.1035 -8.1035 -7.9627 -7.9627 -7.4105 -7.4105 -7.3666 -7.3666 -6.7887 -6.7887 -6.7048 -6.7048 -6.6941 -6.6941 -6.6393 -6.6393 -4.0000 -4.0000 -3.9423 -3.9423 -3.3300 -3.3300 -3.2411 -3.2411 0.0221 0.0221 0.1455 0.1455 0.1899 0.1899 0.2679 0.2679 1.1333 1.1333 1.4086 1.4086 1.5225 1.5225 1.6850 1.6850 2.1187 2.1187 2.2614 2.2614 2.5186 2.5186 2.5664 2.5664 2.8321 2.8321 3.0427 3.0427 3.2180 3.2180 3.3095 3.3095 3.4047 3.4047 3.5866 3.5866 3.8525 3.8525 3.9396 3.9396 4.1804 4.1804 4.2056 4.2056 4.3865 4.3865 4.4139 4.4139 7.0127 7.0127 7.4842 7.4842 7.9043 7.9043 8.0373 8.0373 8.1083 8.1083 8.2105 8.2105 8.3439 8.3439 k = 0.4231-0.0000-0.0000 ( 16054 PWs) bands (ev): -8.0514 -8.0514 -7.9158 -7.9158 -7.4521 -7.4521 -7.4001 -7.4001 -6.7748 -6.7748 -6.6936 -6.6936 -6.6926 -6.6926 -6.6369 -6.6369 -3.9681 -3.9681 -3.9128 -3.9128 -3.3880 -3.3880 -3.3063 -3.3063 0.0177 0.0177 0.1303 0.1303 0.1628 0.1628 0.2360 0.2360 1.1472 1.1472 1.4255 1.4255 1.5151 1.5151 1.6828 1.6828 2.1275 2.1275 2.2600 2.2600 2.4767 2.4767 2.5339 2.5339 2.8624 2.8624 3.0619 3.0619 3.2251 3.2251 3.2982 3.2982 3.4002 3.4002 3.5791 3.5791 3.8346 3.8346 3.9327 3.9327 4.1522 4.1522 4.1670 4.1670 4.3610 4.3610 4.3932 4.3932 7.0374 7.0374 7.4461 7.4461 7.9442 7.9442 8.0742 8.0742 8.1310 8.1310 8.2253 8.2253 8.3814 8.3814 k = 0.4359-0.0000-0.0000 ( 16054 PWs) bands (ev): -7.9989 -7.9989 -7.8688 -7.8688 -7.4958 -7.4958 -7.4357 -7.4357 -6.7617 -6.7617 -6.6929 -6.6929 -6.6828 -6.6828 -6.6355 -6.6355 -3.9330 -3.9330 -3.8795 -3.8795 -3.4455 -3.4455 -3.3701 -3.3701 0.0160 0.0160 0.1174 0.1174 0.1385 0.1385 0.2068 0.2068 1.1656 1.1656 1.4200 1.4200 1.5285 1.5285 1.6806 1.6806 2.1383 2.1383 2.2569 2.2569 2.4394 2.4394 2.4987 2.4987 2.8924 2.8924 3.0786 3.0786 3.2273 3.2273 3.2899 3.2899 3.4037 3.4037 3.5733 3.5733 3.8210 3.8210 3.9264 3.9264 4.1127 4.1127 4.1393 4.1393 4.3409 4.3409 4.3754 4.3754 7.0637 7.0637 7.4071 7.4071 7.9812 7.9812 8.1074 8.1074 8.1470 8.1470 8.2430 8.2430 8.4139 8.4139 k = 0.4487-0.0000-0.0000 ( 16074 PWs) bands (ev): -7.9463 -7.9463 -7.8219 -7.8219 -7.5413 -7.5413 -7.4732 -7.4732 -6.7496 -6.7496 -6.6941 -6.6941 -6.6732 -6.6732 -6.6352 -6.6352 -3.8949 -3.8949 -3.8424 -3.8424 -3.5022 -3.5022 -3.4323 -3.4323 0.0171 0.0171 0.1054 0.1054 0.1189 0.1189 0.1805 0.1805 1.1875 1.1875 1.4009 1.4009 1.5531 1.5531 1.6776 1.6776 2.1514 2.1514 2.2525 2.2525 2.4079 2.4079 2.4628 2.4628 2.9221 2.9221 3.0882 3.0882 3.2280 3.2280 3.2829 3.2829 3.4155 3.4155 3.5670 3.5670 3.8134 3.8134 3.9202 3.9202 4.0740 4.0740 4.1128 4.1128 4.3271 4.3271 4.3599 4.3599 7.0917 7.0917 7.3680 7.3680 8.0151 8.0151 8.1300 8.1300 8.1646 8.1646 8.2598 8.2598 8.4405 8.4405 k = 0.4615-0.0000-0.0000 ( 16066 PWs) bands (ev): -7.8937 -7.8937 -7.7754 -7.7754 -7.5885 -7.5885 -7.5125 -7.5125 -6.7385 -6.7385 -6.6966 -6.6966 -6.6646 -6.6646 -6.6361 -6.6361 -3.8539 -3.8539 -3.8017 -3.8017 -3.5578 -3.5578 -3.4926 -3.4926 0.0209 0.0209 0.0905 0.0905 0.1082 0.1082 0.1576 0.1576 1.2121 1.2121 1.3766 1.3766 1.5794 1.5794 1.6730 1.6730 2.1666 2.1666 2.2467 2.2467 2.3834 2.3834 2.4285 2.4285 2.9514 2.9514 3.0874 3.0874 3.2310 3.2310 3.2764 3.2764 3.4338 3.4338 3.5577 3.5577 3.8133 3.8133 3.9123 3.9123 4.0421 4.0421 4.0864 4.0864 4.3190 4.3190 4.3465 4.3465 7.1212 7.1212 7.3293 7.3293 8.0455 8.0455 8.1365 8.1365 8.1903 8.1903 8.2719 8.2719 8.4604 8.4604 k = 0.4744-0.0000-0.0000 ( 16082 PWs) bands (ev): -7.8412 -7.8412 -7.7293 -7.7293 -7.6371 -7.6371 -7.5534 -7.5534 -6.7284 -6.7284 -6.7004 -6.7004 -6.6571 -6.6571 -6.6380 -6.6380 -3.8102 -3.8102 -3.7576 -3.7576 -3.6120 -3.6120 -3.5508 -3.5508 0.0271 0.0271 0.0743 0.0743 0.1050 0.1050 0.1385 0.1385 1.2386 1.2386 1.3502 1.3502 1.6038 1.6038 1.6660 1.6660 2.1834 2.1834 2.2393 2.2393 2.3668 2.3668 2.3984 2.3984 2.9801 2.9801 3.0763 3.0763 3.2376 3.2376 3.2698 3.2698 3.4562 3.4562 3.5441 3.5441 3.8212 3.8212 3.8992 3.8992 4.0222 4.0222 4.0615 4.0615 4.3156 4.3156 4.3353 4.3353 7.1524 7.1524 7.2915 7.2915 8.0720 8.0720 8.1337 8.1337 8.2174 8.2174 8.2766 8.2766 8.4734 8.4734 k = 0.4872-0.0000-0.0000 ( 16084 PWs) bands (ev): -7.7892 -7.7892 -7.6870 -7.6870 -7.6837 -7.6837 -7.5957 -7.5957 -6.7196 -6.7196 -6.7055 -6.7055 -6.6507 -6.6507 -6.6411 -6.6411 -3.7639 -3.7639 -3.7102 -3.7102 -3.6646 -3.6646 -3.6066 -3.6066 0.0358 0.0358 0.0595 0.0595 0.1066 0.1066 0.1234 0.1234 1.2663 1.2663 1.3227 1.3227 1.6250 1.6250 1.6560 1.6560 2.2006 2.2006 2.2294 2.2294 2.3592 2.3592 2.3754 2.3754 3.0079 3.0079 3.0576 3.0576 3.2460 3.2460 3.2626 3.2626 3.4803 3.4803 3.5259 3.5259 3.8366 3.8366 3.8798 3.8798 4.0170 4.0170 4.0400 4.0400 4.3162 4.3162 4.3264 4.3264 7.1850 7.1850 7.2547 7.2547 8.0943 8.0943 8.1253 8.1253 8.2415 8.2415 8.2727 8.2727 8.4805 8.4805 k = 0.5000-0.0000-0.0000 ( 16086 PWs) bands (ev): -7.7377 -7.7377 -7.7377 -7.7377 -7.6393 -7.6393 -7.6393 -7.6393 -6.7119 -6.7119 -6.7119 -6.7119 -6.6453 -6.6453 -6.6453 -6.6453 -3.7153 -3.7153 -3.7153 -3.7153 -3.6598 -3.6598 -3.6598 -3.6598 0.0466 0.0466 0.0466 0.0466 0.1128 0.1128 0.1128 0.1128 1.2945 1.2945 1.2945 1.2945 1.6424 1.6424 1.6424 1.6424 2.2164 2.2164 2.2164 2.2164 2.3619 2.3619 2.3619 2.3619 3.0341 3.0341 3.0341 3.0341 3.2547 3.2547 3.2547 3.2547 3.5042 3.5042 3.5042 3.5042 3.8573 3.8573 3.8573 3.8573 4.0242 4.0242 4.0242 4.0242 4.3199 4.3199 4.3199 4.3199 7.2192 7.2192 7.2192 7.2192 8.1121 8.1121 8.1121 8.1121 8.2605 8.2605 8.2605 8.2605 8.4836 8.4836 k = 0.5000-0.0000-0.0000 ( 16086 PWs) bands (ev): -7.7377 -7.7377 -7.7377 -7.7377 -7.6393 -7.6393 -7.6393 -7.6393 -6.7119 -6.7119 -6.7119 -6.7119 -6.6453 -6.6453 -6.6453 -6.6453 -3.7153 -3.7153 -3.7153 -3.7153 -3.6598 -3.6598 -3.6598 -3.6598 0.0466 0.0466 0.0466 0.0466 0.1128 0.1128 0.1128 0.1128 1.2945 1.2945 1.2945 1.2945 1.6424 1.6424 1.6424 1.6424 2.2164 2.2164 2.2164 2.2164 2.3619 2.3619 2.3619 2.3619 3.0341 3.0341 3.0341 3.0341 3.2547 3.2547 3.2547 3.2547 3.5042 3.5042 3.5042 3.5042 3.8573 3.8573 3.8573 3.8573 4.0242 4.0242 4.0242 4.0242 4.3199 4.3199 4.3199 4.3199 7.2192 7.2192 7.2192 7.2192 8.1121 8.1121 8.1121 8.1121 8.2605 8.2605 8.2605 8.2605 8.4836 8.4836 k = 0.5000 0.0127-0.0000 ( 16084 PWs) bands (ev): -7.7375 -7.7375 -7.7375 -7.7375 -7.6394 -7.6394 -7.6394 -7.6394 -6.7119 -6.7119 -6.7119 -6.7119 -6.6455 -6.6455 -6.6455 -6.6455 -3.7152 -3.7152 -3.7152 -3.7152 -3.6599 -3.6599 -3.6599 -3.6599 0.0467 0.0467 0.0469 0.0469 0.1130 0.1130 0.1132 0.1132 1.2962 1.2962 1.2965 1.2965 1.6412 1.6412 1.6420 1.6420 2.2162 2.2162 2.2163 2.2163 2.3614 2.3614 2.3617 2.3617 3.0296 3.0296 3.0320 3.0320 3.2551 3.2551 3.2552 3.2552 3.5066 3.5066 3.5071 3.5071 3.8574 3.8574 3.8584 3.8584 4.0234 4.0234 4.0248 4.0248 4.3152 4.3152 4.3173 4.3173 7.2223 7.2223 7.2226 7.2226 8.1085 8.1085 8.1104 8.1104 8.2577 8.2577 8.2621 8.2621 8.4806 8.4806 k = 0.5000 0.0254-0.0000 ( 16076 PWs) bands (ev): -7.7369 -7.7369 -7.7369 -7.7369 -7.6398 -7.6398 -7.6398 -7.6398 -6.7116 -6.7116 -6.7116 -6.7116 -6.6460 -6.6460 -6.6460 -6.6460 -3.7150 -3.7150 -3.7149 -3.7149 -3.6603 -3.6603 -3.6602 -3.6602 0.0471 0.0471 0.0475 0.0475 0.1139 0.1139 0.1142 0.1142 1.3015 1.3015 1.3022 1.3022 1.6385 1.6385 1.6401 1.6401 2.2157 2.2157 2.2158 2.2158 2.3602 2.3602 2.3607 2.3607 3.0191 3.0191 3.0237 3.0237 3.2563 3.2563 3.2566 3.2566 3.5138 3.5138 3.5146 3.5146 3.8586 3.8586 3.8606 3.8606 4.0225 4.0225 4.0255 4.0255 4.3033 4.3033 4.3076 4.3076 7.2320 7.2320 7.2326 7.2326 8.0998 8.0998 8.1033 8.1033 8.2538 8.2538 8.2621 8.2621 8.4738 8.4738 k = 0.5000 0.0381-0.0000 ( 16092 PWs) bands (ev): -7.7360 -7.7360 -7.7360 -7.7360 -7.6406 -7.6406 -7.6406 -7.6406 -6.7113 -6.7113 -6.7113 -6.7113 -6.6468 -6.6468 -6.6468 -6.6468 -3.7146 -3.7146 -3.7144 -3.7144 -3.6609 -3.6609 -3.6608 -3.6608 0.0480 0.0480 0.0486 0.0486 0.1153 0.1153 0.1158 0.1158 1.3103 1.3103 1.3114 1.3114 1.6345 1.6345 1.6368 1.6368 2.2146 2.2146 2.2148 2.2148 2.3583 2.3583 2.3590 2.3590 3.0044 3.0044 3.0107 3.0107 3.2577 3.2577 3.2584 3.2584 3.5244 3.5244 3.5253 3.5253 3.8610 3.8610 3.8642 3.8642 4.0219 4.0219 4.0265 4.0265 4.2845 4.2845 4.2912 4.2912 7.2478 7.2478 7.2487 7.2487 8.0867 8.0867 8.0913 8.0913 8.2486 8.2486 8.2601 8.2601 8.4638 8.4638 k = 0.5000 0.0508-0.0000 ( 16076 PWs) bands (ev): -7.7347 -7.7347 -7.7347 -7.7347 -7.6416 -7.6416 -7.6416 -7.6416 -6.7108 -6.7108 -6.7108 -6.7108 -6.6479 -6.6479 -6.6479 -6.6479 -3.7139 -3.7139 -3.7137 -3.7137 -3.6617 -3.6617 -3.6616 -3.6616 0.0492 0.0492 0.0500 0.0500 0.1173 0.1173 0.1179 0.1179 1.3224 1.3224 1.3239 1.3239 1.6293 1.6293 1.6324 1.6324 2.2129 2.2129 2.2132 2.2132 2.3554 2.3554 2.3564 2.3564 2.9872 2.9872 2.9949 2.9949 3.2589 3.2589 3.2601 3.2601 3.5367 3.5367 3.5373 3.5373 3.8648 3.8648 3.8692 3.8692 4.0217 4.0217 4.0282 4.0282 4.2596 4.2596 4.2687 4.2687 7.2694 7.2694 7.2705 7.2705 8.0699 8.0699 8.0752 8.0752 8.2418 8.2418 8.2556 8.2556 8.4511 8.4511 k = 0.5000 0.0635-0.0000 ( 16062 PWs) bands (ev): -7.7331 -7.7331 -7.7331 -7.7331 -7.6429 -7.6429 -7.6429 -7.6429 -6.7101 -6.7101 -6.7101 -6.7101 -6.6493 -6.6493 -6.6493 -6.6493 -3.7131 -3.7131 -3.7129 -3.7129 -3.6627 -3.6627 -3.6625 -3.6625 0.0508 0.0508 0.0518 0.0518 0.1198 0.1198 0.1205 0.1205 1.3374 1.3374 1.3392 1.3392 1.6234 1.6234 1.6272 1.6272 2.2105 2.2105 2.2108 2.2108 2.3517 2.3517 2.3530 2.3530 2.9697 2.9697 2.9784 2.9784 3.2594 3.2594 3.2613 3.2613 3.5486 3.5486 3.5487 3.5487 3.8699 3.8699 3.8756 3.8756 4.0226 4.0226 4.0310 4.0310 4.2295 4.2295 4.2414 4.2414 7.2960 7.2960 7.2973 7.2973 8.0501 8.0501 8.0557 8.0557 8.2332 8.2332 8.2486 8.2486 8.4365 8.4365 k = 0.5000 0.0762-0.0000 ( 16070 PWs) bands (ev): -7.7311 -7.7311 -7.7311 -7.7311 -7.6445 -7.6445 -7.6445 -7.6445 -6.7093 -6.7093 -6.7093 -6.7093 -6.6510 -6.6510 -6.6510 -6.6510 -3.7122 -3.7122 -3.7119 -3.7119 -3.6639 -3.6639 -3.6637 -3.6637 0.0529 0.0529 0.0541 0.0541 0.1226 0.1226 0.1234 0.1234 1.3548 1.3548 1.3569 1.3569 1.6170 1.6170 1.6215 1.6215 2.2071 2.2071 2.2075 2.2075 2.3470 2.3470 2.3486 2.3486 2.9534 2.9534 2.9629 2.9629 3.2588 3.2588 3.2614 3.2614 3.5577 3.5577 3.5588 3.5588 3.8761 3.8761 3.8827 3.8827 4.0249 4.0249 4.0352 4.0352 4.1957 4.1957 4.2106 4.2106 7.3269 7.3269 7.3283 7.3283 8.0280 8.0280 8.0337 8.0337 8.2227 8.2227 8.2389 8.2389 8.4203 8.4203 k = 0.5000 0.0889-0.0000 ( 16060 PWs) bands (ev): -7.7288 -7.7288 -7.7288 -7.7288 -7.6463 -7.6463 -7.6463 -7.6463 -6.7084 -6.7084 -6.7084 -6.7084 -6.6530 -6.6530 -6.6529 -6.6529 -3.7111 -3.7111 -3.7108 -3.7108 -3.6653 -3.6653 -3.6650 -3.6650 0.0554 0.0554 0.0568 0.0568 0.1256 0.1256 0.1265 0.1265 1.3741 1.3741 1.3764 1.3764 1.6106 1.6106 1.6158 1.6158 2.2025 2.2025 2.2031 2.2031 2.3412 2.3412 2.3432 2.3432 2.9400 2.9400 2.9499 2.9499 3.2569 3.2569 3.2603 3.2603 3.5635 3.5635 3.5656 3.5656 3.8827 3.8827 3.8894 3.8894 4.0289 4.0289 4.0405 4.0405 4.1603 4.1603 4.1787 4.1787 7.3611 7.3611 7.3627 7.3627 8.0042 8.0042 8.0098 8.0098 8.2105 8.2105 8.2271 8.2271 8.4031 8.4031 k = 0.5000 0.1015-0.0000 ( 16074 PWs) bands (ev): -7.7263 -7.7263 -7.7262 -7.7262 -7.6484 -7.6484 -7.6484 -7.6484 -6.7073 -6.7073 -6.7073 -6.7073 -6.6551 -6.6551 -6.6551 -6.6551 -3.7099 -3.7099 -3.7095 -3.7095 -3.6668 -3.6668 -3.6665 -3.6665 0.0584 0.0584 0.0600 0.0600 0.1286 0.1286 0.1297 0.1297 1.3945 1.3945 1.3971 1.3971 1.6046 1.6046 1.6106 1.6106 2.1968 2.1968 2.1975 2.1975 2.3344 2.3344 2.3368 2.3368 2.9302 2.9302 2.9405 2.9405 3.2536 3.2536 3.2578 3.2578 3.5655 3.5655 3.5686 3.5686 3.8880 3.8880 3.8931 3.8931 4.0342 4.0342 4.0451 4.0451 4.1277 4.1277 4.1490 4.1490 7.3978 7.3978 7.3995 7.3995 7.9793 7.9793 7.9847 7.9847 8.1971 8.1971 8.2134 8.2134 8.3852 8.3852 k = 0.5000 0.1142-0.0000 ( 16086 PWs) bands (ev): -7.7234 -7.7234 -7.7234 -7.7234 -7.6508 -7.6508 -7.6508 -7.6508 -6.7061 -6.7061 -6.7061 -6.7061 -6.6575 -6.6575 -6.6575 -6.6575 -3.7085 -3.7085 -3.7081 -3.7081 -3.6685 -3.6685 -3.6682 -3.6682 0.0620 0.0620 0.0637 0.0637 0.1315 0.1315 0.1327 0.1327 1.4155 1.4155 1.4183 1.4183 1.5995 1.5995 1.6064 1.6064 2.1899 2.1899 2.1909 2.1909 2.3265 2.3265 2.3293 2.3293 2.9250 2.9250 2.9354 2.9354 3.2487 3.2487 3.2538 3.2538 3.5640 3.5640 3.5678 3.5678 3.8886 3.8886 3.8901 3.8901 4.0401 4.0401 4.0442 4.0442 4.1066 4.1066 4.1263 4.1263 7.4360 7.4360 7.4377 7.4377 7.9537 7.9537 7.9590 7.9590 8.1829 8.1829 8.1988 8.1988 8.3667 8.3667 k = 0.5000 0.1269-0.0000 ( 16098 PWs) bands (ev): -7.7203 -7.7203 -7.7203 -7.7203 -7.6534 -7.6534 -7.6534 -7.6534 -6.7047 -6.7047 -6.7047 -6.7047 -6.6600 -6.6600 -6.6600 -6.6600 -3.7070 -3.7070 -3.7066 -3.7066 -3.6702 -3.6702 -3.6699 -3.6699 0.0662 0.0662 0.0680 0.0680 0.1341 0.1341 0.1353 0.1353 1.4362 1.4362 1.4390 1.4390 1.5957 1.5957 1.6035 1.6035 2.1823 2.1823 2.1836 2.1836 2.3175 2.3175 2.3208 2.3208 2.9246 2.9246 2.9349 2.9349 3.2425 3.2425 3.2485 3.2485 3.5596 3.5596 3.5637 3.5637 3.8764 3.8764 3.8789 3.8789 4.0361 4.0361 4.0463 4.0463 4.1040 4.1040 4.1149 4.1149 7.4748 7.4748 7.4765 7.4765 7.9280 7.9280 7.9331 7.9331 8.1688 8.1688 8.1840 8.1840 8.3477 8.3477 k = 0.5000 0.1396-0.0000 ( 16090 PWs) bands (ev): -7.7170 -7.7170 -7.7169 -7.7169 -7.6563 -7.6563 -7.6563 -7.6563 -6.7031 -6.7031 -6.7031 -6.7031 -6.6627 -6.6627 -6.6627 -6.6627 -3.7054 -3.7054 -3.7049 -3.7049 -3.6721 -3.6721 -3.6718 -3.6718 0.0708 0.0708 0.0727 0.0727 0.1361 0.1361 0.1375 0.1375 1.4557 1.4557 1.4585 1.4585 1.5934 1.5934 1.6022 1.6022 2.1746 2.1746 2.1763 2.1763 2.3074 2.3074 2.3112 2.3112 2.9290 2.9290 2.9391 2.9391 3.2349 3.2349 3.2422 3.2422 3.5530 3.5530 3.5572 3.5572 3.8507 3.8507 3.8552 3.8552 4.0318 4.0318 4.0537 4.0537 4.1125 4.1125 4.1148 4.1148 7.5132 7.5132 7.5149 7.5149 7.9027 7.9027 7.9076 7.9076 8.1554 8.1554 8.1698 8.1698 8.3284 8.3284 k = 0.5000 0.1523-0.0000 ( 16070 PWs) bands (ev): -7.7134 -7.7134 -7.7134 -7.7134 -7.6594 -7.6594 -7.6594 -7.6594 -6.7014 -6.7014 -6.7014 -6.7014 -6.6655 -6.6655 -6.6655 -6.6655 -3.7037 -3.7037 -3.7032 -3.7032 -3.6741 -3.6741 -3.6738 -3.6738 0.0759 0.0759 0.0780 0.0780 0.1375 0.1375 0.1389 0.1389 1.4735 1.4735 1.4760 1.4760 1.5926 1.5926 1.6026 1.6026 2.1675 2.1675 2.1697 2.1697 2.2962 2.2962 2.3005 2.3005 2.9380 2.9380 2.9476 2.9476 3.2263 3.2263 3.2350 3.2350 3.5454 3.5454 3.5493 3.5493 3.8158 3.8158 3.8198 3.8198 4.0359 4.0359 4.0634 4.0634 4.1218 4.1218 4.1247 4.1247 7.5503 7.5503 7.5520 7.5520 7.8782 7.8782 7.8829 7.8829 8.1437 8.1437 8.1573 8.1573 8.3087 8.3087 k = 0.5000 0.1650-0.0000 ( 16058 PWs) bands (ev): -7.7097 -7.7097 -7.7097 -7.7097 -7.6627 -7.6627 -7.6626 -7.6626 -6.6995 -6.6995 -6.6995 -6.6995 -6.6683 -6.6683 -6.6683 -6.6683 -3.7019 -3.7019 -3.7014 -3.7014 -3.6761 -3.6761 -3.6758 -3.6758 0.0815 0.0815 0.0836 0.0836 0.1380 0.1380 0.1395 0.1395 1.4892 1.4892 1.4913 1.4913 1.5932 1.5932 1.6045 1.6045 2.1619 2.1619 2.1647 2.1647 2.2838 2.2838 2.2886 2.2886 2.9509 2.9509 2.9598 2.9598 3.2166 3.2166 3.2272 3.2272 3.5378 3.5378 3.5411 3.5411 3.7757 3.7757 3.7784 3.7784 4.0454 4.0454 4.0751 4.0751 4.1318 4.1318 4.1376 4.1376 7.5854 7.5854 7.5870 7.5870 7.8547 7.8547 7.8593 7.8593 8.1345 8.1345 8.1472 8.1472 8.2889 8.2889 k = 0.5000 0.1777-0.0000 ( 16048 PWs) bands (ev): -7.7059 -7.7059 -7.7058 -7.7058 -7.6661 -7.6661 -7.6661 -7.6661 -6.6975 -6.6975 -6.6975 -6.6975 -6.6712 -6.6712 -6.6712 -6.6712 -3.7001 -3.7001 -3.6996 -3.6996 -3.6782 -3.6782 -3.6778 -3.6778 0.0873 0.0873 0.0895 0.0895 0.1377 0.1377 0.1393 0.1393 1.5026 1.5026 1.5041 1.5041 1.5944 1.5944 1.6071 1.6071 2.1589 2.1589 2.1623 2.1623 2.2703 2.2703 2.2755 2.2755 2.9670 2.9670 2.9748 2.9748 3.2060 3.2060 3.2190 3.2190 3.5316 3.5316 3.5337 3.5337 3.7340 3.7340 3.7353 3.7353 4.0571 4.0571 4.0875 4.0875 4.1423 4.1423 4.1498 4.1498 7.6179 7.6179 7.6194 7.6194 7.8324 7.8324 7.8369 7.8369 8.1283 8.1283 8.1403 8.1403 8.2689 8.2689 k = 0.5000 0.1904-0.0000 ( 16046 PWs) bands (ev): -7.7019 -7.7019 -7.7019 -7.7019 -7.6698 -7.6698 -7.6697 -7.6697 -6.6954 -6.6954 -6.6954 -6.6954 -6.6741 -6.6741 -6.6741 -6.6741 -3.6982 -3.6982 -3.6976 -3.6976 -3.6803 -3.6803 -3.6799 -3.6799 0.0933 0.0933 0.0956 0.0956 0.1365 0.1365 0.1381 0.1381 1.5138 1.5138 1.5146 1.5146 1.5955 1.5955 1.6098 1.6098 2.1591 2.1591 2.1630 2.1630 2.2557 2.2557 2.2613 2.2613 2.9852 2.9852 2.9916 2.9916 3.1947 3.1947 3.2107 3.2107 3.5278 3.5278 3.5284 3.5284 3.6932 3.6932 3.6934 3.6934 4.0690 4.0690 4.0996 4.0996 4.1519 4.1519 4.1604 4.1604 7.6474 7.6474 7.6486 7.6486 7.8115 7.8115 7.8159 7.8159 8.1257 8.1257 8.1371 8.1371 8.2493 8.2493 k = 0.5000 0.2031-0.0000 ( 16042 PWs) bands (ev): -7.6979 -7.6979 -7.6978 -7.6978 -7.6735 -7.6735 -7.6735 -7.6735 -6.6931 -6.6931 -6.6931 -6.6931 -6.6770 -6.6770 -6.6770 -6.6770 -3.6963 -3.6963 -3.6957 -3.6957 -3.6824 -3.6824 -3.6820 -3.6820 0.0992 0.0992 0.1015 0.1015 0.1345 0.1345 0.1361 0.1361 1.5231 1.5231 1.5231 1.5231 1.5961 1.5961 1.6118 1.6118 2.1628 2.1628 2.1671 2.1671 2.2403 2.2403 2.2463 2.2463 3.0041 3.0041 3.0084 3.0084 3.1829 3.1829 3.2025 3.2025 3.5262 3.5262 3.5276 3.5276 3.6552 3.6552 3.6553 3.6553 4.0795 4.0795 4.1103 4.1103 4.1597 4.1597 4.1690 4.1690 7.6736 7.6736 7.6746 7.6746 7.7919 7.7919 7.7963 7.7963 8.1265 8.1265 8.1376 8.1376 8.2304 8.2304 k = 0.5000 0.2158-0.0000 ( 16052 PWs) bands (ev): -7.6938 -7.6938 -7.6937 -7.6937 -7.6774 -7.6774 -7.6774 -7.6774 -6.6907 -6.6907 -6.6907 -6.6907 -6.6799 -6.6799 -6.6799 -6.6799 -3.6945 -3.6945 -3.6938 -3.6938 -3.6843 -3.6843 -3.6840 -3.6840 0.1046 0.1046 0.1071 0.1071 0.1319 0.1319 0.1334 0.1334 1.5295 1.5295 1.5304 1.5304 1.5958 1.5958 1.6129 1.6129 2.1701 2.1701 2.1745 2.1745 2.2246 2.2246 2.2311 2.2311 3.0215 3.0215 3.0234 3.0234 3.1717 3.1717 3.1950 3.1950 3.5275 3.5275 3.5315 3.5315 3.6223 3.6223 3.6227 3.6227 4.0877 4.0877 4.1187 4.1187 4.1653 4.1653 4.1753 4.1753 7.6969 7.6969 7.6974 7.6974 7.7733 7.7733 7.7779 7.7779 8.1302 8.1302 8.1415 8.1415 8.2133 8.2133 k = 0.5000 0.2285-0.0000 ( 16024 PWs) bands (ev): -7.6897 -7.6897 -7.6896 -7.6896 -7.6814 -7.6814 -7.6814 -7.6814 -6.6882 -6.6882 -6.6882 -6.6882 -6.6827 -6.6827 -6.6827 -6.6827 -3.6929 -3.6929 -3.6922 -3.6922 -3.6860 -3.6860 -3.6857 -3.6857 0.1089 0.1089 0.1115 0.1115 0.1293 0.1293 0.1307 0.1307 1.5336 1.5336 1.5352 1.5352 1.5953 1.5953 1.6133 1.6133 2.1804 2.1804 2.1843 2.1843 2.2093 2.2093 2.2166 2.2166 3.0339 3.0339 3.0345 3.0345 3.1628 3.1628 3.1895 3.1895 3.5317 3.5317 3.5388 3.5388 3.5966 3.5966 3.5989 3.5989 4.0929 4.0929 4.1240 4.1240 4.1687 4.1687 4.1791 4.1791 7.7169 7.7169 7.7177 7.7177 7.7552 7.7552 7.7611 7.7611 8.1348 8.1348 8.1470 8.1470 8.1998 8.1998 k = 0.5000 0.2412-0.0000 ( 16028 PWs) bands (ev): -7.6861 -7.6861 -7.6856 -7.6856 -7.6854 -7.6854 -7.6849 -7.6849 -6.6859 -6.6859 -6.6858 -6.6858 -6.6852 -6.6852 -6.6850 -6.6850 -3.6921 -3.6921 -3.6914 -3.6914 -3.6868 -3.6868 -3.6865 -3.6865 0.1107 0.1107 0.1135 0.1135 0.1281 0.1281 0.1294 0.1294 1.5350 1.5350 1.5369 1.5369 1.5950 1.5950 1.6134 1.6134 2.1900 2.1900 2.1915 2.1915 2.1980 2.1980 2.2078 2.2078 3.0378 3.0378 3.0394 3.0394 3.1593 3.1593 3.1875 3.1875 3.5346 3.5346 3.5441 3.5441 3.5852 3.5852 3.5893 3.5893 4.0947 4.0947 4.1259 4.1259 4.1698 4.1698 4.1804 4.1804 7.7279 7.7279 7.7353 7.7353 7.7386 7.7386 7.7509 7.7509 8.1371 8.1371 8.1501 8.1501 8.1941 8.1941 k = 0.5000 0.2412-0.0000 ( 16028 PWs) bands (ev): -7.6861 -7.6861 -7.6856 -7.6856 -7.6854 -7.6854 -7.6849 -7.6849 -6.6859 -6.6859 -6.6858 -6.6858 -6.6852 -6.6852 -6.6850 -6.6850 -3.6921 -3.6921 -3.6914 -3.6914 -3.6868 -3.6868 -3.6865 -3.6865 0.1107 0.1107 0.1135 0.1135 0.1281 0.1281 0.1294 0.1294 1.5350 1.5350 1.5369 1.5369 1.5950 1.5950 1.6134 1.6134 2.1900 2.1900 2.1915 2.1915 2.1980 2.1980 2.2078 2.2078 3.0378 3.0378 3.0394 3.0394 3.1593 3.1593 3.1875 3.1875 3.5346 3.5346 3.5441 3.5441 3.5852 3.5852 3.5893 3.5893 4.0947 4.0947 4.1259 4.1259 4.1698 4.1698 4.1804 4.1804 7.7279 7.7279 7.7353 7.7353 7.7386 7.7386 7.7509 7.7509 8.1371 8.1371 8.1501 8.1501 8.1941 8.1941 k = 0.4872 0.2412-0.0000 ( 16048 PWs) bands (ev): -7.7331 -7.7327 -7.7324 -7.7320 -7.6403 -7.6396 -7.6395 -7.6389 -6.6892 -6.6891 -6.6886 -6.6885 -6.6836 -6.6835 -6.6827 -6.6825 -3.7400 -3.7392 -3.7348 -3.7346 -3.6417 -3.6409 -3.6361 -3.6358 0.0977 0.1004 0.1142 0.1156 0.1271 0.1298 0.1452 0.1465 1.5172 1.5202 1.5495 1.5501 1.5662 1.5847 1.6216 1.6399 2.1575 2.1604 2.1642 2.1780 2.2194 2.2278 2.2338 2.2372 3.0270 3.0304 3.0518 3.0520 3.1512 3.1699 3.1786 3.1989 3.5054 3.5110 3.5484 3.5504 3.5690 3.5821 3.6270 3.6333 4.0871 4.1021 4.1192 4.1326 4.1626 4.1744 4.1775 4.1869 7.6739 7.6837 7.6925 7.7094 7.7738 7.7805 7.7871 7.7921 8.1070 8.1188 8.1690 8.1770 8.1822 8.1843 k = 0.4744 0.2412-0.0000 ( 16060 PWs) bands (ev): -7.7809 -7.7806 -7.7802 -7.7800 -7.5957 -7.5949 -7.5949 -7.5942 -6.6936 -6.6935 -6.6932 -6.6931 -6.6823 -6.6822 -6.6811 -6.6810 -3.7850 -3.7843 -3.7801 -3.7800 -3.5888 -3.5881 -3.5831 -3.5828 0.0879 0.0907 0.1035 0.1049 0.1468 0.1495 0.1657 0.1668 1.4960 1.5001 1.5355 1.5538 1.5601 1.5608 1.6460 1.6639 2.1264 2.1315 2.1331 2.1487 2.2481 2.2656 2.2658 2.2711 3.0203 3.0257 3.0671 3.0679 3.1450 3.1716 3.1829 3.2126 3.4829 3.4843 3.5187 3.5189 3.6072 3.6237 3.6722 3.6808 4.0793 4.1092 4.1126 4.1392 4.1557 4.1690 4.1857 4.1940 7.6189 7.6280 7.6460 7.6638 7.8070 7.8170 7.8312 7.8440 8.0795 8.0891 8.1578 8.1653 8.2021 8.2150 k = 0.4615 0.2412-0.0000 ( 16046 PWs) bands (ev): -7.8294 -7.8292 -7.8287 -7.8286 -7.5528 -7.5520 -7.5518 -7.5511 -6.6991 -6.6990 -6.6989 -6.6987 -6.6818 -6.6817 -6.6804 -6.6802 -3.8272 -3.8264 -3.8225 -3.8224 -3.5338 -3.5331 -3.5279 -3.5276 0.0813 0.0840 0.0957 0.0973 0.1700 0.1726 0.1894 0.1905 1.4716 1.4766 1.5031 1.5211 1.5670 1.5691 1.6680 1.6853 2.0987 2.1041 2.1051 2.1207 2.2750 2.2919 2.3048 2.3094 3.0178 3.0257 3.0832 3.0849 3.1393 3.1651 3.1983 3.2281 3.4658 3.4688 3.4976 3.4985 3.6481 3.6679 3.7195 3.7305 4.0718 4.1066 4.1161 4.1459 4.1494 4.1642 4.1944 4.2019 7.5631 7.5716 7.5964 7.6146 7.8334 7.8386 7.8791 7.8936 8.0560 8.0619 8.1367 8.1448 8.2323 8.2361 k = 0.4487 0.2412-0.0000 ( 16072 PWs) bands (ev): -7.8784 -7.8783 -7.8777 -7.8777 -7.5117 -7.5109 -7.5106 -7.5098 -6.7057 -6.7057 -6.7056 -6.7055 -6.6820 -6.6819 -6.6803 -6.6802 -3.8662 -3.8654 -3.8617 -3.8616 -3.4769 -3.4762 -3.4708 -3.4704 0.0778 0.0805 0.0910 0.0925 0.1965 0.1992 0.2165 0.2176 1.4444 1.4501 1.4692 1.4868 1.5712 1.5745 1.6877 1.7040 2.0747 2.0789 2.0806 2.0949 2.2995 2.3155 2.3443 2.3478 3.0192 3.0299 3.0996 3.1023 3.1322 3.1567 3.2159 3.2454 3.4567 3.4645 3.4890 3.4898 3.6906 3.7137 3.7677 3.7811 4.0648 4.1014 4.1229 4.1439 4.1526 4.1602 4.2040 4.2108 7.5067 7.5147 7.5442 7.5624 7.8494 7.8507 7.9226 7.9394 8.0387 8.0393 8.1144 8.1239 8.2414 8.2491 k = 0.4359 0.2412-0.0000 ( 16084 PWs) bands (ev): -7.9276 -7.9275 -7.9270 -7.9269 -7.4727 -7.4718 -7.4713 -7.4706 -6.7136 -6.7135 -6.7135 -6.7134 -6.6829 -6.6827 -6.6809 -6.6807 -3.9019 -3.9011 -3.8977 -3.8976 -3.4182 -3.4176 -3.4121 -3.4116 0.0771 0.0798 0.0890 0.0906 0.2264 0.2290 0.2470 0.2480 1.4146 1.4208 1.4341 1.4513 1.5730 1.5776 1.7048 1.7200 2.0549 2.0571 2.0601 2.0720 2.3208 2.3355 2.3835 2.3858 3.0238 3.0372 3.1166 3.1203 3.1221 3.1448 3.2363 3.2650 3.4579 3.4702 3.4938 3.4943 3.7338 3.7603 3.8153 3.8312 4.0594 4.0980 4.1298 4.1393 4.1571 4.1597 4.2148 4.2211 7.4500 7.4575 7.4898 7.5078 7.8471 7.8555 7.9576 7.9775 8.0245 8.0297 8.0943 8.1060 8.2492 8.2566 k = 0.4231 0.2412-0.0000 ( 16084 PWs) bands (ev): -7.9769 -7.9768 -7.9763 -7.9762 -7.4360 -7.4351 -7.4344 -7.4337 -6.7227 -6.7226 -6.7224 -6.7223 -6.6842 -6.6840 -6.6819 -6.6818 -3.9343 -3.9335 -3.9303 -3.9302 -3.3581 -3.3575 -3.3518 -3.3513 0.0794 0.0820 0.0897 0.0914 0.2596 0.2622 0.2807 0.2816 1.3828 1.3892 1.3983 1.4150 1.5728 1.5784 1.7193 1.7328 2.0395 2.0396 2.0438 2.0531 2.3382 2.3512 2.4215 2.4226 3.0303 3.0459 3.1089 3.1290 3.1355 3.1402 3.2600 3.2878 3.4689 3.4853 3.5095 3.5123 3.7773 3.8070 3.8609 3.8787 4.0573 4.0976 4.1362 4.1370 4.1553 4.1674 4.2272 4.2334 7.3932 7.4002 7.4336 7.4513 7.8320 7.8458 7.9755 7.9962 8.0192 8.0287 8.0871 8.0992 8.2563 8.2632 k = 0.4103 0.2412-0.0000 ( 16080 PWs) bands (ev): -8.0261 -8.0260 -8.0256 -8.0254 -7.4018 -7.4010 -7.4001 -7.3993 -6.7329 -6.7328 -6.7325 -6.7324 -6.6858 -6.6856 -6.6832 -6.6831 -3.9633 -3.9625 -3.9594 -3.9594 -3.2969 -3.2962 -3.2904 -3.2899 0.0843 0.0870 0.0930 0.0947 0.2958 0.2984 0.3174 0.3183 1.3495 1.3560 1.3620 1.3782 1.5710 1.5775 1.7309 1.7423 2.0274 2.0291 2.0322 2.0392 2.3511 2.3622 2.4572 2.4575 3.0378 3.0544 3.0939 3.1111 3.1586 3.1637 3.2871 3.3142 3.4880 3.5080 3.5348 3.5402 3.8202 3.8529 3.9019 3.9197 4.0624 4.1024 4.1349 4.1450 4.1549 4.1760 4.2418 4.2482 7.3364 7.3429 7.3759 7.3933 7.8068 7.8233 7.9680 7.9839 8.0217 8.0328 8.1034 8.1105 8.2636 8.2693 k = 0.3974 0.2412-0.0000 ( 16076 PWs) bands (ev): -8.0751 -8.0749 -8.0746 -8.0744 -7.3705 -7.3696 -7.3685 -7.3677 -6.7441 -6.7440 -6.7436 -6.7435 -6.6876 -6.6874 -6.6847 -6.6845 -3.9887 -3.9879 -3.9851 -3.9850 -3.2346 -3.2340 -3.2282 -3.2275 0.0919 0.0945 0.0988 0.1006 0.3350 0.3375 0.3570 0.3578 1.3154 1.3218 1.3258 1.3414 1.5679 1.5753 1.7394 1.7481 2.0219 2.0234 2.0253 2.0313 2.3592 2.3682 2.4888 2.4906 3.0461 3.0624 3.0791 3.0933 3.1869 3.1916 3.3175 3.3441 3.5131 3.5359 3.5672 3.5751 3.8623 3.8971 3.9353 3.9481 4.0806 4.1155 4.1361 4.1541 4.1563 4.1860 4.2591 4.2660 7.2799 7.2859 7.3172 7.3341 7.7745 7.7919 7.9417 7.9535 8.0280 8.0389 8.1284 8.1319 8.2726 8.2763 k = 0.3846 0.2412-0.0000 ( 16080 PWs) bands (ev): -8.1236 -8.1234 -8.1231 -8.1229 -7.3421 -7.3412 -7.3398 -7.3391 -6.7564 -6.7563 -6.7557 -6.7557 -6.6894 -6.6892 -6.6862 -6.6861 -4.0105 -4.0097 -4.0071 -4.0070 -3.1718 -3.1712 -3.1652 -3.1646 0.1020 0.1046 0.1070 0.1088 0.3767 0.3791 0.3992 0.3999 1.2811 1.2873 1.2903 1.3054 1.5641 1.5720 1.7446 1.7503 2.0225 2.0232 2.0236 2.0303 2.3625 2.3692 2.5167 2.5202 3.0557 3.0665 3.0708 3.0776 3.2201 3.2238 3.3503 3.3769 3.5418 3.5668 3.6042 3.6143 3.9031 3.9385 3.9587 3.9618 4.1140 4.1392 4.1409 4.1599 4.1651 4.1980 4.2798 4.2874 7.2237 7.2294 7.2579 7.2742 7.7372 7.7545 7.9057 7.9153 8.0352 8.0450 8.1499 8.1527 8.2850 8.2856 k = 0.3718 0.2412-0.0000 ( 16082 PWs) bands (ev): -8.1716 -8.1714 -8.1711 -8.1708 -7.3168 -7.3159 -7.3143 -7.3135 -6.7697 -6.7696 -6.7689 -6.7688 -6.6912 -6.6909 -6.6876 -6.6875 -4.0288 -4.0280 -4.0256 -4.0255 -3.1085 -3.1080 -3.1020 -3.1013 0.1146 0.1172 0.1176 0.1195 0.4204 0.4228 0.4433 0.4439 1.2473 1.2533 1.2560 1.2706 1.5599 1.5683 1.7469 1.7494 2.0257 2.0264 2.0327 2.0365 2.3612 2.3658 2.5404 2.5455 3.0576 3.0658 3.0670 3.0804 3.2570 3.2593 3.3847 3.4115 3.5722 3.5987 3.6439 3.6557 3.9423 3.9662 3.9729 3.9757 4.1507 4.1566 4.1664 4.1728 4.1792 4.2125 4.3043 4.3126 7.1683 7.1735 7.1982 7.2140 7.6961 7.7128 7.8639 7.8725 8.0415 8.0501 8.1636 8.1674 8.2983 8.3016 k = 0.3590 0.2412-0.0000 ( 16084 PWs) bands (ev): -8.2189 -8.2186 -8.2184 -8.2181 -7.2947 -7.2938 -7.2920 -7.2912 -6.7838 -6.7837 -6.7829 -6.7828 -6.6927 -6.6925 -6.6889 -6.6887 -4.0436 -4.0428 -4.0406 -4.0405 -3.0452 -3.0447 -3.0386 -3.0379 0.1297 0.1305 0.1323 0.1324 0.4655 0.4678 0.4887 0.4892 1.2151 1.2207 1.2238 1.2379 1.5559 1.5646 1.7462 1.7467 2.0326 2.0346 2.0487 2.0498 2.3559 2.3586 2.5599 2.5665 3.0534 3.0588 3.0805 3.0920 3.2961 3.2967 3.4196 3.4469 3.6027 3.6305 3.6845 3.6974 3.9672 3.9790 3.9811 4.0069 4.1673 4.1769 4.1907 4.2093 4.2126 4.2305 4.3326 4.3416 7.1138 7.1186 7.1385 7.1538 7.6518 7.6678 7.8179 7.8260 8.0462 8.0534 8.1693 8.1744 8.3142 8.3211 k = 0.3462 0.2412-0.0000 ( 16084 PWs) bands (ev): -8.2653 -8.2651 -8.2649 -8.2646 -7.2758 -7.2750 -7.2729 -7.2722 -6.7987 -6.7986 -6.7977 -6.7976 -6.6940 -6.6937 -6.6898 -6.6897 -4.0550 -4.0542 -4.0521 -4.0519 -2.9820 -2.9816 -2.9755 -2.9748 0.1457 0.1471 0.1477 0.1497 0.5110 0.5131 0.5345 0.5348 1.1854 1.1906 1.1948 1.2085 1.5527 1.5615 1.7419 1.7452 2.0433 2.0468 2.0694 2.0709 2.3477 2.3488 2.5756 2.5835 3.0539 3.0569 3.0958 3.1054 3.3345 3.3360 3.4538 3.4819 3.6328 3.6614 3.7249 3.7379 3.9682 3.9868 4.0120 4.0313 4.1916 4.1928 4.2112 4.2470 4.2582 4.2612 4.3648 4.3738 7.0605 7.0649 7.0794 7.0940 7.6050 7.6200 7.7688 7.7767 8.0489 8.0549 8.1686 8.1745 8.3311 8.3411 k = 0.3333 0.2412-0.0000 ( 16088 PWs) bands (ev): -8.3109 -8.3106 -8.3105 -8.3102 -7.2602 -7.2594 -7.2571 -7.2564 -6.8143 -6.8142 -6.8132 -6.8132 -6.6950 -6.6946 -6.6905 -6.6904 -4.0630 -4.0622 -4.0603 -4.0601 -2.9194 -2.9189 -2.9129 -2.9121 0.1633 0.1654 0.1670 0.1696 0.5554 0.5575 0.5790 0.5792 1.1599 1.1646 1.1705 1.1838 1.5507 1.5595 1.7376 1.7434 2.0572 2.0622 2.0939 2.0980 2.3379 2.3380 2.5889 2.5976 3.0587 3.0596 3.1125 3.1204 3.3712 3.3750 3.4860 3.5150 3.6624 3.6916 3.7640 3.7757 3.9711 3.9922 4.0401 4.0493 4.2155 4.2233 4.2340 4.2715 4.3070 4.3091 4.4002 4.4089 7.0088 7.0127 7.0212 7.0353 7.5558 7.5700 7.7170 7.7250 8.0494 8.0542 8.1632 8.1692 8.3464 8.3589 k = 0.3205 0.2412-0.0000 ( 16064 PWs) bands (ev): -8.3554 -8.3551 -8.3551 -8.3547 -7.2477 -7.2469 -7.2444 -7.2438 -6.8305 -6.8304 -6.8293 -6.8293 -6.6956 -6.6953 -6.6910 -6.6908 -4.0678 -4.0670 -4.0652 -4.0650 -2.8575 -2.8571 -2.8512 -2.8503 0.1832 0.1853 0.1894 0.1919 0.5968 0.5988 0.6202 0.6204 1.1403 1.1445 1.1529 1.1659 1.5505 1.5591 1.7343 1.7422 2.0734 2.0801 2.1215 2.1283 2.3283 2.3285 2.6014 2.6104 3.0660 3.0667 3.1302 3.1364 3.4052 3.4115 3.5149 3.5448 3.6919 3.7216 3.8011 3.8099 3.9774 3.9989 4.0624 4.0627 4.2456 4.2599 4.2603 4.2975 4.3554 4.3604 4.4383 4.4460 6.9589 6.9624 6.9646 6.9781 7.5049 7.5182 7.6634 7.6714 8.0476 8.0513 8.1541 8.1598 8.3577 8.3721 k = 0.3077 0.2412-0.0000 ( 16070 PWs) bands (ev): -8.3988 -8.3985 -8.3985 -8.3981 -7.2383 -7.2375 -7.2348 -7.2342 -6.8472 -6.8471 -6.8460 -6.8459 -6.6960 -6.6956 -6.6912 -6.6910 -4.0695 -4.0688 -4.0671 -4.0669 -2.7966 -2.7963 -2.7904 -2.7896 0.2055 0.2077 0.2141 0.2168 0.6326 0.6345 0.6553 0.6559 1.1290 1.1327 1.1445 1.1570 1.5525 1.5610 1.7327 1.7425 2.0911 2.0995 2.1492 2.1591 2.3225 2.3229 2.6150 2.6240 3.0747 3.0768 3.1481 3.1528 3.4351 3.4439 3.5396 3.5702 3.7221 3.7522 3.8359 3.8399 3.9880 4.0078 4.0736 4.0796 4.2817 4.2883 4.3002 4.3248 4.4054 4.4121 4.4783 4.4844 6.9101 6.9112 6.9142 6.9230 7.4526 7.4649 7.6085 7.6167 8.0434 8.0463 8.1420 8.1470 8.3631 8.3787 k = 0.2949 0.2412-0.0000 ( 16062 PWs) bands (ev): -8.4410 -8.4407 -8.4407 -8.4403 -7.2316 -7.2308 -7.2280 -7.2274 -6.8642 -6.8642 -6.8630 -6.8629 -6.6961 -6.6958 -6.6912 -6.6910 -4.0685 -4.0678 -4.0662 -4.0660 -2.7371 -2.7368 -2.7311 -2.7302 0.2301 0.2324 0.2414 0.2441 0.6600 0.6617 0.6817 0.6830 1.1287 1.1316 1.1479 1.1598 1.5575 1.5655 1.7333 1.7450 2.1094 2.1198 2.1724 2.1860 2.3248 2.3269 2.6317 2.6402 3.0847 3.0878 3.1659 3.1692 3.4602 3.4713 3.5592 3.5900 3.7538 3.7841 3.8659 3.8679 4.0030 4.0197 4.0830 4.0931 4.3180 4.3214 4.3410 4.3522 4.4568 4.4642 4.5194 4.5234 6.8585 6.8661 6.8687 6.8707 7.3994 7.4109 7.5530 7.5614 8.0369 8.0392 8.1275 8.1314 8.3608 8.3768 k = 0.2821 0.2412-0.0000 ( 16060 PWs) bands (ev): -8.4819 -8.4816 -8.4816 -8.4812 -7.2274 -7.2267 -7.2238 -7.2232 -6.8815 -6.8815 -6.8802 -6.8802 -6.6962 -6.6958 -6.6911 -6.6909 -4.0649 -4.0642 -4.0627 -4.0625 -2.6792 -2.6789 -2.6733 -2.6724 0.2571 0.2596 0.2712 0.2739 0.6768 0.6783 0.6975 0.6997 1.1410 1.1432 1.1645 1.1759 1.5658 1.5733 1.7366 1.7500 2.1277 2.1401 2.1864 2.2032 2.3416 2.3452 2.6531 2.6607 3.0948 3.0987 3.1831 3.1851 3.4800 3.4930 3.5734 3.6037 3.7872 3.8175 3.8887 3.8969 4.0217 4.0348 4.0916 4.1042 4.3476 4.3621 4.3782 4.3808 4.5097 4.5169 4.5611 4.5626 6.8103 6.8220 6.8239 6.8260 7.3459 7.3565 7.4977 7.5065 8.0280 8.0298 8.1107 8.1132 8.3496 8.3649 k = 0.2692 0.2412-0.0000 ( 16060 PWs) bands (ev): -8.5215 -8.5212 -8.5212 -8.5208 -7.2255 -7.2248 -7.2219 -7.2214 -6.8990 -6.8989 -6.8977 -6.8976 -6.6961 -6.6957 -6.6910 -6.6908 -4.0590 -4.0583 -4.0569 -4.0567 -2.6231 -2.6229 -2.6174 -2.6165 0.2863 0.2890 0.3035 0.3064 0.6825 0.6836 0.7027 0.7059 1.1657 1.1669 1.1939 1.2048 1.5783 1.5851 1.7431 1.7581 2.1458 2.1600 2.1914 2.2099 2.3738 2.3777 2.6802 2.6869 3.1044 3.1088 3.1994 3.2003 3.4948 3.5091 3.5822 3.6114 3.8221 3.8519 3.9089 3.9226 4.0429 4.0529 4.0998 4.1138 4.3754 4.4016 4.4016 4.4184 4.5639 4.5702 4.6013 4.6026 6.7665 6.7776 6.7849 6.7866 7.2928 7.3026 7.4436 7.4526 8.0169 8.0184 8.0918 8.0925 8.3291 8.3426 k = 0.2564 0.2412-0.0000 ( 16060 PWs) bands (ev): -8.5596 -8.5593 -8.5593 -8.5589 -7.2256 -7.2250 -7.2220 -7.2215 -6.9164 -6.9164 -6.9151 -6.9151 -6.6962 -6.6957 -6.6910 -6.6909 -4.0510 -4.0503 -4.0490 -4.0488 -2.5691 -2.5689 -2.5636 -2.5627 0.3175 0.3205 0.3382 0.3414 0.6786 0.6794 0.6994 0.7036 1.2001 1.2003 1.2336 1.2440 1.5959 1.6015 1.7530 1.7696 2.1636 2.1795 2.1920 2.2112 2.4167 2.4204 2.7135 2.7191 3.1129 3.1177 3.2149 3.2149 3.5051 3.5202 3.5861 3.6137 3.8578 3.8868 3.9268 3.9447 4.0654 4.0734 4.1073 4.1221 4.4005 4.4216 4.4380 4.4523 4.6186 4.6238 4.6390 4.6431 6.7277 6.7382 6.7495 6.7506 7.2409 7.2499 7.3914 7.4009 8.0035 8.0048 8.0695 8.0710 8.2995 8.3101 k = 0.2436 0.2412-0.0000 ( 16040 PWs) bands (ev): -8.5962 -8.5959 -8.5959 -8.5955 -7.2274 -7.2268 -7.2238 -7.2234 -6.9338 -6.9338 -6.9325 -6.9325 -6.6963 -6.6959 -6.6912 -6.6911 -4.0413 -4.0406 -4.0394 -4.0392 -2.5174 -2.5172 -2.5121 -2.5111 0.3504 0.3537 0.3754 0.3789 0.6678 0.6680 0.6905 0.6956 1.2394 1.2406 1.2798 1.2900 1.6194 1.6236 1.7671 1.7851 2.1817 2.1924 2.1992 2.2120 2.4654 2.4689 2.7527 2.7573 3.1203 3.1253 3.2290 3.2296 3.5117 3.5272 3.5856 3.6113 3.8934 3.9211 3.9424 3.9633 4.0879 4.0951 4.1139 4.1293 4.4221 4.4379 4.4700 4.4817 4.6729 4.6753 4.6771 4.6820 6.6946 6.7045 6.7177 6.7182 7.1911 7.1993 7.3423 7.3522 7.9878 7.9890 8.0442 8.0482 8.2620 8.2691 k = 0.2308 0.2412-0.0000 ( 16036 PWs) bands (ev): -8.6312 -8.6309 -8.6309 -8.6306 -7.2306 -7.2300 -7.2271 -7.2267 -6.9510 -6.9509 -6.9497 -6.9497 -6.6967 -6.6962 -6.6916 -6.6915 -4.0301 -4.0294 -4.0283 -4.0281 -2.4681 -2.4679 -2.4630 -2.4621 0.3842 0.3880 0.4145 0.4187 0.6522 0.6529 0.6791 0.6850 1.2800 1.2828 1.3287 1.3388 1.6503 1.6525 1.7862 1.8051 2.1954 2.2010 2.2152 2.2196 2.5168 2.5205 2.7969 2.8005 3.1268 3.1319 3.2428 3.2437 3.5155 3.5309 3.5812 3.6050 3.9279 3.9539 3.9549 3.9780 4.1097 4.1170 4.1192 4.1351 4.4400 4.4505 4.4965 4.5060 4.7095 4.7184 4.7258 4.7289 6.6676 6.6771 6.6895 6.6898 7.1442 7.1517 7.2972 7.3075 7.9697 7.9710 8.0164 8.0235 8.2185 8.2213 k = 0.2179 0.2412-0.0000 ( 16028 PWs) bands (ev): -8.6646 -8.6644 -8.6643 -8.6640 -7.2350 -7.2344 -7.2315 -7.2311 -6.9679 -6.9678 -6.9666 -6.9666 -6.6972 -6.6968 -6.6923 -6.6922 -4.0177 -4.0171 -4.0160 -4.0158 -2.4214 -2.4213 -2.4166 -2.4156 0.4173 0.4217 0.4548 0.4601 0.6345 0.6366 0.6685 0.6753 1.3186 1.3231 1.3767 1.3866 1.6893 1.6894 1.8114 1.8308 2.2027 2.2225 2.2225 2.2418 2.5693 2.5735 2.8448 2.8473 3.1332 3.1379 3.2565 3.2574 3.5172 3.5323 3.5734 3.5954 3.9604 3.9636 3.9842 3.9885 4.1228 4.1301 4.1380 4.1394 4.4545 4.4598 4.5173 4.5248 4.7407 4.7513 4.7758 4.7780 6.6470 6.6561 6.6646 6.6657 7.1013 7.1082 7.2570 7.2678 7.9490 7.9506 7.9859 7.9968 8.1690 8.1707 k = 0.2051 0.2412-0.0000 ( 16016 PWs) bands (ev): -8.6963 -8.6961 -8.6961 -8.6958 -7.2402 -7.2397 -7.2368 -7.2365 -6.9843 -6.9843 -6.9831 -6.9831 -6.6980 -6.6976 -6.6933 -6.6931 -4.0045 -4.0040 -4.0029 -4.0027 -2.3774 -2.3773 -2.3729 -2.3719 0.4471 0.4521 0.4937 0.5011 0.6184 0.6228 0.6627 0.6702 1.3527 1.3589 1.4206 1.4300 1.7345 1.7371 1.8440 1.8630 2.2152 2.2346 2.2471 2.2667 2.6213 2.6264 2.8940 2.8951 3.1409 3.1447 3.2705 3.2709 3.5179 3.5321 3.5629 3.5831 3.9676 3.9899 3.9945 4.0108 4.1245 4.1421 4.1489 4.1575 4.4659 4.4664 4.5323 4.5382 4.7680 4.7798 4.8214 4.8229 6.6327 6.6415 6.6436 6.6457 7.0635 7.0699 7.2222 7.2335 7.9256 7.9275 7.9524 7.9676 8.1144 8.1211 k = 0.1923 0.2412-0.0000 ( 16018 PWs) bands (ev): -8.7264 -8.7262 -8.7261 -8.7258 -7.2461 -7.2456 -7.2428 -7.2425 -7.0003 -7.0002 -6.9991 -6.9991 -6.6991 -6.6987 -6.6945 -6.6944 -3.9908 -3.9902 -3.9892 -3.9891 -2.3363 -2.3362 -2.3320 -2.3310 0.4697 0.4749 0.5230 0.5334 0.6129 0.6206 0.6668 0.6745 1.3812 1.3887 1.4580 1.4665 1.7877 1.7929 1.8851 1.9027 2.2331 2.2518 2.2757 2.2951 2.6718 2.6782 2.9404 2.9415 3.1524 3.1544 3.2841 3.2847 3.5183 3.5313 3.5498 3.5686 3.9664 3.9955 4.0152 4.0321 4.1247 4.1439 4.1661 4.1751 4.4710 4.4748 4.5420 4.5467 4.7905 4.8029 4.8613 4.8621 6.6243 6.6268 6.6300 6.6331 7.0317 7.0378 7.1930 7.2050 7.8991 7.9013 7.9154 7.9352 8.0601 8.0718 k = 0.1795 0.2412-0.0000 ( 16014 PWs) bands (ev): -8.7546 -8.7545 -8.7544 -8.7541 -7.2524 -7.2519 -7.2493 -7.2490 -7.0157 -7.0156 -7.0145 -7.0145 -6.7004 -6.7000 -6.6961 -6.6959 -3.9767 -3.9762 -3.9752 -3.9751 -2.2980 -2.2980 -2.2940 -2.2931 0.4815 0.4861 0.5298 0.5392 0.6365 0.6434 0.6853 0.6924 1.4040 1.4125 1.4874 1.4947 1.8476 1.8553 1.9347 1.9501 2.2562 2.2737 2.3088 2.3276 2.7203 2.7282 2.9782 2.9824 3.1705 3.1718 3.2964 3.2987 3.5197 3.5309 3.5346 3.5520 3.9601 3.9915 4.0343 4.0463 4.1250 4.1462 4.1817 4.1907 4.4743 4.4817 4.5471 4.5508 4.8073 4.8200 4.8939 4.8942 6.6146 6.6190 6.6212 6.6301 7.0068 7.0127 7.1693 7.1819 7.8688 7.8714 7.8747 7.8985 8.0092 8.0248 k = 0.1667 0.2412-0.0000 ( 16012 PWs) bands (ev): -8.7811 -8.7809 -8.7809 -8.7806 -7.2589 -7.2585 -7.2560 -7.2558 -7.0303 -7.0303 -7.0293 -7.0292 -6.7019 -6.7015 -6.6978 -6.6976 -3.9626 -3.9621 -3.9612 -3.9611 -2.2627 -2.2627 -2.2589 -2.2580 0.4824 0.4859 0.5195 0.5263 0.6814 0.6860 0.7179 0.7240 1.4219 1.4310 1.5090 1.5150 1.9123 1.9225 1.9918 2.0043 2.2836 2.2993 2.3467 2.3643 2.7664 2.7762 3.0042 3.0120 3.1965 3.2019 3.3071 3.3115 3.5175 3.5229 3.5318 3.5337 3.9492 3.9830 4.0444 4.0515 4.1282 4.1509 4.1957 4.2044 4.4765 4.4866 4.5484 4.5509 4.8178 4.8305 4.9180 4.9181 6.6074 6.6134 6.6223 6.6316 6.9894 6.9953 7.1501 7.1634 7.8305 7.8345 7.8372 7.8563 7.9642 7.9817 k = 0.1538 0.2412-0.0000 ( 16004 PWs) bands (ev): -8.8057 -8.8056 -8.8055 -8.8053 -7.2656 -7.2652 -7.2629 -7.2626 -7.0442 -7.0442 -7.0432 -7.0432 -6.7036 -6.7032 -6.6997 -6.6996 -3.9486 -3.9481 -3.9473 -3.9472 -2.2303 -2.2303 -2.2268 -2.2259 0.4758 0.4783 0.5036 0.5088 0.7337 0.7370 0.7608 0.7657 1.4357 1.4449 1.5237 1.5285 1.9797 1.9924 2.0547 2.0639 2.3139 2.3272 2.3893 2.4051 2.8105 2.8223 3.0182 3.0288 3.2321 3.2414 3.3149 3.3217 3.4993 3.5140 3.5287 3.5348 3.9352 3.9713 4.0449 4.0483 4.1361 4.1580 4.2080 4.2161 4.4777 4.4898 4.5463 4.5474 4.8219 4.8345 4.9326 4.9331 6.6057 6.6135 6.6267 6.6366 6.9796 6.9856 7.1343 7.1484 7.7839 7.7958 7.7985 7.8093 7.9262 7.9429 k = 0.1410 0.2412-0.0000 ( 16012 PWs) bands (ev): -8.8285 -8.8284 -8.8283 -8.8281 -7.2721 -7.2718 -7.2696 -7.2694 -7.0573 -7.0573 -7.0564 -7.0564 -6.7054 -6.7051 -6.7018 -6.7017 -3.9351 -3.9346 -3.9338 -3.9338 -2.2008 -2.2008 -2.1976 -2.1968 0.4653 0.4671 0.4865 0.4906 0.7892 0.7917 0.8099 0.8140 1.4462 1.4554 1.5329 1.5369 2.0481 2.0634 2.1214 2.1271 2.3454 2.3556 2.4358 2.4494 2.8532 2.8671 3.0239 3.0361 3.2720 3.2846 3.3191 3.3282 3.4811 3.4941 3.5368 3.5399 3.9205 3.9585 4.0387 4.0396 4.1467 4.1659 4.2183 4.2255 4.4777 4.4908 4.5405 4.5414 4.8201 4.8323 4.9379 4.9387 6.6097 6.6197 6.6334 6.6443 6.9769 6.9832 7.1204 7.1355 7.7366 7.7535 7.7556 7.7599 7.8944 7.9084 k = 0.1282 0.2412-0.0000 ( 16012 PWs) bands (ev): -8.8494 -8.8493 -8.8492 -8.8490 -7.2785 -7.2782 -7.2762 -7.2760 -7.0695 -7.0694 -7.0686 -7.0686 -6.7073 -6.7069 -6.7039 -6.7038 -3.9222 -3.9217 -3.9210 -3.9210 -2.1742 -2.1742 -2.1712 -2.1704 0.4531 0.4543 0.4696 0.4730 0.8464 0.8485 0.8627 0.8660 1.4544 1.4633 1.5382 1.5415 2.1157 2.1337 2.1900 2.1917 2.3764 2.3827 2.4852 2.4959 2.8953 2.9111 3.0253 3.0378 3.3081 3.3196 3.3233 3.3303 3.4661 3.4772 3.5457 3.5463 3.9074 3.9469 4.0290 4.0303 4.1575 4.1724 4.2261 4.2324 4.4763 4.4896 4.5305 4.5337 4.8131 4.8250 4.9344 4.9353 6.6191 6.6316 6.6416 6.6536 6.9804 6.9872 7.1070 7.1234 7.6901 7.7087 7.7101 7.7106 7.8674 7.8781 k = 0.1154 0.2412-0.0000 ( 16016 PWs) bands (ev): -8.8684 -8.8683 -8.8682 -8.8680 -7.2846 -7.2844 -7.2825 -7.2823 -7.0807 -7.0806 -7.0799 -7.0799 -6.7092 -6.7088 -6.7061 -6.7060 -3.9100 -3.9096 -3.9089 -3.9089 -2.1504 -2.1504 -2.1477 -2.1470 0.4405 0.4414 0.4536 0.4565 0.9042 0.9060 0.9171 0.9200 1.4609 1.4695 1.5407 1.5438 2.1807 2.2014 2.2553 2.2585 2.4064 2.4074 2.5360 2.5433 2.9373 2.9545 3.0255 3.0371 3.3176 3.3285 3.3300 3.3457 3.4613 3.4715 3.5523 3.5534 3.8985 3.9388 4.0197 4.0230 4.1667 4.1762 4.2309 4.2361 4.4731 4.4858 4.5173 4.5236 4.8026 4.8141 4.9233 4.9241 6.6330 6.6484 6.6505 6.6638 6.9886 6.9960 7.0932 7.1112 7.6456 7.6634 7.6635 7.6638 7.8443 7.8518 k = 0.1026 0.2412-0.0000 ( 15998 PWs) bands (ev): -8.8854 -8.8853 -8.8852 -8.8851 -7.2903 -7.2901 -7.2884 -7.2882 -7.0908 -7.0908 -7.0901 -7.0901 -6.7110 -6.7107 -6.7082 -6.7081 -3.8987 -3.8983 -3.8978 -3.8977 -2.1294 -2.1294 -2.1270 -2.1263 0.4283 0.4290 0.4388 0.4413 0.9615 0.9632 0.9717 0.9742 1.4664 1.4745 1.5417 1.5446 2.2414 2.2646 2.3133 2.3230 2.4312 2.4374 2.5866 2.5896 2.9782 2.9961 3.0273 3.0363 3.3152 3.3242 3.3297 3.3421 3.4731 3.4852 3.5566 3.5580 3.8957 3.9358 4.0132 4.0180 4.1733 4.1762 4.2316 4.2360 4.4681 4.4795 4.5015 4.5114 4.7902 4.8011 4.9064 4.9070 6.6499 6.6595 6.6686 6.6744 6.9999 7.0078 7.0787 7.0988 7.6039 7.6191 7.6193 7.6200 7.8247 7.8292 k = 0.0897 0.2412-0.0000 ( 16002 PWs) bands (ev): -8.9005 -8.9004 -8.9003 -8.9002 -7.2955 -7.2953 -7.2938 -7.2937 -7.0999 -7.0998 -7.0993 -7.0992 -6.7127 -6.7124 -6.7103 -6.7102 -3.8885 -3.8881 -3.8877 -3.8876 -2.1110 -2.1110 -2.1089 -2.1082 0.4170 0.4175 0.4254 0.4275 1.0173 1.0189 1.0249 1.0271 1.4716 1.4792 1.5418 1.5448 2.2956 2.3207 2.3583 2.3739 2.4624 2.4757 2.6337 2.6353 3.0154 3.0323 3.0324 3.0367 3.3128 3.3152 3.3195 3.3198 3.4966 3.5110 3.5594 3.5596 3.8995 3.9381 4.0095 4.0148 4.1721 4.1768 4.2275 4.2313 4.4617 4.4712 4.4843 4.4980 4.7779 4.7880 4.8861 4.8861 6.6677 6.6682 6.6847 6.6901 7.0123 7.0208 7.0643 7.0866 7.5656 7.5778 7.5790 7.5802 7.8081 7.8101 k = 0.0769 0.2412-0.0000 ( 16012 PWs) bands (ev): -8.9136 -8.9135 -8.9134 -8.9133 -7.3001 -7.2999 -7.2987 -7.2985 -7.1078 -7.1078 -7.1073 -7.1073 -6.7143 -6.7140 -6.7122 -6.7121 -3.8794 -3.8791 -3.8787 -3.8786 -2.0953 -2.0952 -2.0934 -2.0928 0.4068 0.4073 0.4135 0.4154 1.0701 1.0716 1.0753 1.0772 1.4771 1.4842 1.5417 1.5448 2.3409 2.3669 2.3845 2.3995 2.5125 2.5267 2.6753 2.6814 3.0381 3.0408 3.0443 3.0582 3.2898 3.2902 3.3165 3.3201 3.5244 3.5403 3.5605 3.5640 3.9083 3.9444 4.0058 4.0106 4.1644 4.1773 4.2173 4.2214 4.4546 4.4619 4.4675 4.4845 4.7671 4.7760 4.8635 4.8644 6.6761 6.6843 6.6944 6.7106 7.0240 7.0331 7.0512 7.0758 7.5314 7.5417 7.5433 7.5456 7.7939 7.7941 k = 0.0641 0.2412-0.0000 ( 16030 PWs) bands (ev): -8.9246 -8.9246 -8.9246 -8.9245 -7.3041 -7.3039 -7.3029 -7.3028 -7.1146 -7.1146 -7.1142 -7.1141 -6.7157 -6.7155 -6.7139 -6.7139 -3.8716 -3.8713 -3.8710 -3.8709 -2.0821 -2.0820 -2.0805 -2.0800 0.3981 0.3985 0.4034 0.4050 1.1183 1.1198 1.1212 1.1228 1.4834 1.4901 1.5416 1.5450 2.3751 2.3963 2.4003 2.4071 2.5750 2.5867 2.7157 2.7255 3.0379 3.0501 3.0599 3.0690 3.2609 3.2680 3.3158 3.3290 3.5545 3.5671 3.5710 3.5746 3.9191 3.9514 3.9975 4.0013 4.1550 4.1751 4.2009 4.2065 4.4481 4.4533 4.4535 4.4724 4.7590 4.7663 4.8413 4.8432 6.6831 6.6979 6.7032 6.7275 7.0335 7.0409 7.0434 7.0673 7.5020 7.5118 7.5130 7.5174 7.7807 7.7817 k = 0.0513 0.2412-0.0000 ( 16012 PWs) bands (ev): -8.9337 -8.9337 -8.9337 -8.9336 -7.3074 -7.3073 -7.3064 -7.3063 -7.1202 -7.1201 -7.1198 -7.1198 -6.7168 -6.7166 -6.7154 -6.7154 -3.8651 -3.8648 -3.8646 -3.8645 -2.0713 -2.0712 -2.0701 -2.0696 0.3908 0.3913 0.3949 0.3963 1.1602 1.1611 1.1617 1.1625 1.4911 1.4972 1.5415 1.5452 2.3969 2.4002 2.4070 2.4195 2.6407 2.6503 2.7571 2.7691 3.0309 3.0527 3.0597 3.0646 3.2398 3.2531 3.3154 3.3354 3.5866 3.5874 3.5961 3.6040 3.9268 3.9545 3.9801 3.9834 4.1464 4.1714 4.1797 4.1884 4.4431 4.4439 4.4466 4.4627 4.7542 4.7596 4.8208 4.8237 6.6892 6.7071 6.7113 6.7392 7.0347 7.0400 7.0508 7.0617 7.4781 7.4882 7.4889 7.4956 7.7693 7.7712 k = 0.0385 0.2412-0.0000 ( 16028 PWs) bands (ev): -8.9408 -8.9408 -8.9408 -8.9407 -7.3100 -7.3099 -7.3092 -7.3092 -7.1245 -7.1245 -7.1243 -7.1242 -6.7177 -6.7176 -6.7166 -6.7166 -3.8600 -3.8597 -3.8596 -3.8595 -2.0630 -2.0629 -2.0621 -2.0616 0.3852 0.3857 0.3881 0.3894 1.1936 1.1940 1.1949 1.1955 1.5001 1.5059 1.5410 1.5449 2.4011 2.4043 2.4074 2.4260 2.7061 2.7141 2.7999 2.8133 3.0118 3.0399 3.0452 3.0478 3.2341 3.2488 3.3117 3.3330 3.6220 3.6239 3.6296 3.6402 3.9255 3.9482 3.9518 3.9561 4.1403 4.1580 4.1672 4.1714 4.4388 4.4400 4.4427 4.4555 4.7529 4.7560 4.8028 4.8064 6.6945 6.7119 6.7186 6.7450 7.0325 7.0432 7.0553 7.0589 7.4605 7.4707 7.4716 7.4797 7.7600 7.7623 k = 0.0256 0.2412-0.0000 ( 16024 PWs) bands (ev): -8.9459 -8.9459 -8.9459 -8.9458 -7.3118 -7.3117 -7.3113 -7.3113 -7.1276 -7.1276 -7.1275 -7.1274 -6.7183 -6.7182 -6.7176 -6.7175 -3.8563 -3.8560 -3.8560 -3.8558 -2.0571 -2.0569 -2.0564 -2.0561 0.3813 0.3818 0.3832 0.3842 1.2175 1.2186 1.2188 1.2200 1.5102 1.5156 1.5392 1.5435 2.4019 2.4019 2.4094 2.4238 2.7694 2.7760 2.8422 2.8581 2.9799 3.0110 3.0197 3.0225 3.2437 3.2541 3.3037 3.3214 3.6629 3.6682 3.6705 3.6792 3.9105 3.9157 3.9226 3.9296 4.1362 4.1416 4.1600 4.1631 4.4371 4.4386 4.4415 4.4505 4.7550 4.7558 4.7875 4.7914 6.6993 6.7127 6.7255 6.7457 7.0335 7.0436 7.0575 7.0578 7.4495 7.4581 7.4610 7.4686 7.7529 7.7554 k = 0.0128 0.2412-0.0000 ( 16040 PWs) bands (ev): -8.9489 -8.9489 -8.9489 -8.9489 -7.3128 -7.3128 -7.3126 -7.3126 -7.1295 -7.1295 -7.1294 -7.1294 -6.7186 -6.7185 -6.7183 -6.7182 -3.8540 -3.8539 -3.8538 -3.8537 -2.0535 -2.0532 -2.0531 -2.0528 0.3791 0.3797 0.3800 0.3809 1.2324 1.2332 1.2337 1.2346 1.5203 1.5254 1.5354 1.5399 2.4014 2.4046 2.4069 2.4172 2.8294 2.8332 2.8770 2.9011 2.9390 2.9766 2.9862 2.9924 3.2618 3.2653 3.2921 3.3036 3.6995 3.7074 3.7136 3.7163 3.8802 3.8841 3.8924 3.9027 4.1333 4.1334 4.1555 4.1591 4.4371 4.4380 4.4421 4.4468 4.7590 4.7603 4.7750 4.7787 6.7037 6.7110 6.7319 6.7429 7.0362 7.0421 7.0578 7.0581 7.4446 7.4496 7.4565 7.4611 7.7484 7.7507 k = 0.0000 0.2412-0.0000 ( 16046 PWs) bands (ev): -8.9499 -8.9499 -8.9499 -8.9499 -7.3131 -7.3131 -7.3131 -7.3131 -7.1301 -7.1301 -7.1301 -7.1301 -6.7186 -6.7186 -6.7185 -6.7185 -3.8532 -3.8532 -3.8530 -3.8530 -2.0521 -2.0521 -2.0519 -2.0519 0.3786 0.3786 0.3794 0.3794 1.2377 1.2377 1.2391 1.2391 1.5290 1.5290 1.5338 1.5338 2.4034 2.4034 2.4100 2.4100 2.8768 2.8768 2.8847 2.8847 2.9478 2.9478 2.9672 2.9672 3.2787 3.2787 3.2829 3.2829 3.7201 3.7201 3.7353 3.7353 3.8652 3.8652 3.8835 3.8835 4.1317 4.1317 4.1561 4.1561 4.4376 4.4376 4.4441 4.4441 4.7655 4.7655 4.7683 4.7683 6.7077 6.7077 6.7379 6.7379 7.0394 7.0394 7.0581 7.0581 7.4449 7.4449 7.4569 7.4569 7.7475 7.7475 k = 0.0000 0.2412-0.0000 ( 16046 PWs) bands (ev): -8.9499 -8.9499 -8.9499 -8.9499 -7.3131 -7.3131 -7.3131 -7.3131 -7.1301 -7.1301 -7.1301 -7.1301 -6.7186 -6.7186 -6.7185 -6.7185 -3.8532 -3.8532 -3.8530 -3.8530 -2.0521 -2.0521 -2.0519 -2.0519 0.3786 0.3786 0.3794 0.3794 1.2377 1.2377 1.2391 1.2391 1.5290 1.5290 1.5338 1.5338 2.4034 2.4034 2.4100 2.4100 2.8768 2.8768 2.8847 2.8847 2.9478 2.9478 2.9672 2.9672 3.2787 3.2787 3.2829 3.2829 3.7201 3.7201 3.7353 3.7353 3.8652 3.8652 3.8835 3.8835 4.1317 4.1317 4.1561 4.1561 4.4376 4.4376 4.4441 4.4441 4.7655 4.7655 4.7683 4.7683 6.7077 6.7077 6.7379 6.7379 7.0394 7.0394 7.0581 7.0581 7.4449 7.4449 7.4569 7.4569 7.7475 7.7475 k = 0.0000 0.2285-0.0000 ( 16028 PWs) bands (ev): -8.9587 -8.9587 -8.9413 -8.9413 -7.3156 -7.3156 -7.3095 -7.3095 -7.1382 -7.1382 -7.1213 -7.1213 -6.7217 -6.7216 -6.7171 -6.7171 -3.8673 -3.8670 -3.8393 -3.8390 -2.0725 -2.0722 -2.0328 -2.0326 0.3771 0.3781 0.3839 0.3845 1.2305 1.2317 1.2448 1.2464 1.5221 1.5273 1.5373 1.5417 2.3853 2.3915 2.4229 2.4298 2.8525 2.8595 2.8888 2.8962 2.9212 2.9436 2.9863 3.0017 3.2701 3.2726 3.2879 3.2938 3.7142 3.7258 3.7296 3.7403 3.8568 3.8735 3.8742 3.8928 4.1259 4.1365 4.1492 4.1616 4.4265 4.4326 4.4444 4.4515 4.7434 4.7450 4.7857 4.7896 6.6868 6.7167 6.7287 6.7587 7.0179 7.0378 7.0617 7.0786 7.4265 7.4399 7.4599 7.4705 7.7312 7.7331 k = 0.0000 0.2158-0.0000 ( 16022 PWs) bands (ev): -8.9675 -8.9675 -8.9328 -8.9328 -7.3168 -7.3168 -7.3050 -7.3050 -7.1454 -7.1454 -7.1122 -7.1122 -6.7265 -6.7264 -6.7174 -6.7173 -3.8813 -3.8810 -3.8255 -3.8252 -2.0938 -2.0935 -2.0147 -2.0145 0.3795 0.3807 0.3929 0.3932 1.2233 1.2243 1.2519 1.2536 1.5165 1.5222 1.5469 1.5509 2.3684 2.3743 2.4434 2.4504 2.8157 2.8192 2.8943 2.9017 2.9104 2.9323 3.0267 3.0398 3.2623 3.2630 3.2972 3.3048 3.7078 3.7230 3.7312 3.7447 3.8484 3.8652 3.8817 3.9021 4.1188 4.1402 4.1409 4.1658 4.4117 4.4175 4.4464 4.4543 4.7201 4.7205 4.8030 4.8082 6.6661 6.6953 6.7497 6.7789 6.9980 7.0182 7.0843 7.0991 7.4046 7.4195 7.4719 7.4810 7.7220 7.7231 k = 0.0000 0.2031-0.0000 ( 16018 PWs) bands (ev): -8.9763 -8.9763 -8.9246 -8.9246 -7.3165 -7.3165 -7.3001 -7.3001 -7.1513 -7.1513 -7.1030 -7.1029 -6.7329 -6.7327 -6.7194 -6.7193 -3.8952 -3.8949 -3.8120 -3.8118 -2.1159 -2.1155 -1.9980 -1.9977 0.3856 0.3870 0.4052 0.4054 1.2162 1.2170 1.2589 1.2608 1.5124 1.5186 1.5578 1.5614 2.3524 2.3579 2.4641 2.4709 2.7733 2.7738 2.8971 2.8996 2.9122 2.9284 3.0648 3.0771 3.2544 3.2558 3.3065 3.3160 3.7008 3.7155 3.7366 3.7487 3.8401 3.8566 3.8898 3.9112 4.1105 4.1312 4.1429 4.1686 4.3942 4.3997 4.4435 4.4525 4.6956 4.6964 4.8168 4.8233 6.6459 6.6739 6.7703 6.7980 6.9805 7.0000 7.1066 7.1190 7.3800 7.3962 7.4818 7.4891 7.7200 7.7211 k = 0.0000 0.1904-0.0000 ( 16016 PWs) bands (ev): -8.9850 -8.9850 -8.9167 -8.9167 -7.3147 -7.3147 -7.2951 -7.2951 -7.1554 -7.1554 -7.0937 -7.0937 -6.7407 -6.7406 -6.7230 -6.7230 -3.9088 -3.9085 -3.7989 -3.7987 -2.1384 -2.1381 -1.9825 -1.9823 0.3955 0.3971 0.4207 0.4207 1.2093 1.2098 1.2659 1.2679 1.5098 1.5165 1.5699 1.5731 2.3363 2.3417 2.4832 2.4893 2.7294 2.7317 2.8958 2.8987 2.9180 2.9281 3.0986 3.1111 3.2474 3.2512 3.3156 3.3271 3.6933 3.7071 3.7422 3.7527 3.8319 3.8483 3.8976 3.9197 4.1008 4.1200 4.1446 4.1700 4.3749 4.3800 4.4358 4.4461 4.6707 4.6729 4.8264 4.8342 6.6262 6.6527 6.7902 6.8153 6.9667 6.9841 7.1280 7.1380 7.3538 7.3712 7.4903 7.4958 7.7244 7.7263 k = 0.0000 0.1777-0.0000 ( 16030 PWs) bands (ev): -8.9935 -8.9935 -8.9092 -8.9091 -7.3113 -7.3112 -7.2906 -7.2906 -7.1572 -7.1572 -7.0847 -7.0847 -6.7499 -6.7498 -6.7283 -6.7283 -3.9220 -3.9218 -3.7864 -3.7861 -2.1612 -2.1609 -1.9685 -1.9683 0.4089 0.4106 0.4387 0.4388 1.2026 1.2029 1.2728 1.2750 1.5088 1.5161 1.5831 1.5859 2.3191 2.3244 2.4976 2.5018 2.6913 2.6970 2.8927 2.9000 2.9249 2.9302 3.1271 3.1404 3.2426 3.2489 3.3243 3.3378 3.6854 3.6978 3.7480 3.7567 3.8238 3.8408 3.9049 3.9275 4.0897 4.1072 4.1453 4.1699 4.3548 4.3596 4.4239 4.4356 4.6462 4.6499 4.8313 4.8405 6.6073 6.6321 6.8082 6.8289 6.9588 6.9717 7.1479 7.1558 7.3273 7.3458 7.4982 7.5017 7.7343 7.7373 k = 0.0000 0.1650-0.0000 ( 16044 PWs) bands (ev): -9.0018 -9.0018 -8.9020 -8.9020 -7.3062 -7.3061 -7.2872 -7.2872 -7.1562 -7.1562 -7.0762 -7.0761 -6.7604 -6.7602 -6.7353 -6.7353 -3.9348 -3.9346 -3.7743 -3.7741 -2.1841 -2.1837 -1.9558 -1.9557 0.4255 0.4274 0.4589 0.4592 1.1961 1.1963 1.2799 1.2821 1.5096 1.5174 1.5975 1.5998 2.2990 2.3043 2.5016 2.5029 2.6663 2.6759 2.8907 2.9017 2.9329 2.9338 3.1494 3.1639 3.2409 3.2495 3.3327 3.3479 3.6770 3.6877 3.7540 3.7609 3.8161 3.8339 3.9114 3.9339 4.0771 4.0932 4.1449 4.1681 4.3353 4.3395 4.4086 4.4216 4.6225 4.6275 4.8311 4.8418 6.5893 6.6121 6.8229 6.8369 6.9590 6.9648 7.1658 7.1719 7.3017 7.3211 7.5057 7.5073 7.7483 7.7527 k = 0.0000 0.1523-0.0000 ( 16044 PWs) bands (ev): -9.0098 -9.0098 -8.8953 -8.8953 -7.2996 -7.2995 -7.2852 -7.2852 -7.1520 -7.1520 -7.0682 -7.0681 -6.7719 -6.7718 -6.7439 -6.7439 -3.9469 -3.9467 -3.7630 -3.7628 -2.2066 -2.2063 -1.9446 -1.9444 0.4450 0.4471 0.4807 0.4812 1.1900 1.1901 1.2872 1.2895 1.5123 1.5207 1.6127 1.6147 2.2742 2.2796 2.4896 2.4907 2.6594 2.6723 2.8903 2.9048 2.9388 2.9423 3.1659 3.1807 3.2431 3.2522 3.3409 3.3571 3.6682 3.6771 3.7600 3.7652 3.8089 3.8282 3.9164 3.9382 4.0635 4.0784 4.1433 4.1643 4.3174 4.3208 4.3911 4.4049 4.5995 4.6058 4.8259 4.8379 6.5724 6.5932 6.8322 6.8384 6.9656 6.9686 7.1810 7.1862 7.2781 7.2981 7.5129 7.5131 7.7654 7.7712 k = 0.0000 0.1396-0.0000 ( 16042 PWs) bands (ev): -9.0174 -9.0174 -8.8891 -8.8891 -7.2914 -7.2913 -7.2848 -7.2848 -7.1447 -7.1446 -7.0609 -7.0609 -6.7843 -6.7841 -6.7539 -6.7539 -3.9584 -3.9583 -3.7524 -3.7522 -2.2287 -2.2283 -1.9346 -1.9345 0.4671 0.4694 0.5036 0.5041 1.1843 1.1843 1.2948 1.2971 1.5172 1.5262 1.6288 1.6304 2.2436 2.2492 2.4660 2.4679 2.6676 2.6821 2.8919 2.9099 2.9452 2.9535 3.1778 3.1917 3.2486 3.2555 3.3492 3.3653 3.6591 3.6662 3.7655 3.7692 3.8027 3.8238 3.9190 3.9390 4.0498 4.0640 4.1403 4.1583 4.3019 4.3045 4.3726 4.3864 4.5776 4.5849 4.8156 4.8291 6.5567 6.5754 6.8350 6.8353 6.9751 6.9862 7.1927 7.1982 7.2578 7.2777 7.5185 7.5203 7.7845 7.7914 k = 0.0000 0.1269-0.0000 ( 16030 PWs) bands (ev): -9.0245 -9.0245 -8.8834 -8.8834 -7.2858 -7.2858 -7.2816 -7.2815 -7.1344 -7.1343 -7.0547 -7.0547 -6.7973 -6.7971 -6.7655 -6.7654 -3.9692 -3.9690 -3.7425 -3.7423 -2.2499 -2.2496 -1.9258 -1.9258 0.4913 0.4936 0.5268 0.5274 1.1789 1.1791 1.3027 1.3050 1.5245 1.5342 1.6456 1.6467 2.2069 2.2127 2.4378 2.4393 2.6838 2.6984 2.8961 2.9177 2.9532 2.9669 3.1872 3.1995 3.2550 3.2574 3.3581 3.3726 3.6497 3.6548 3.7698 3.7720 3.7984 3.8214 3.9176 3.9347 4.0376 4.0517 4.1357 4.1498 4.2890 4.2912 4.3548 4.3670 4.5570 4.5650 4.8007 4.8154 6.5423 6.5590 6.8290 6.8334 6.9919 7.0091 7.1989 7.2076 7.2433 7.2608 7.5239 7.5270 7.8047 7.8125 k = 0.0000 0.1142-0.0000 ( 16016 PWs) bands (ev): -9.0312 -9.0312 -8.8782 -8.8782 -7.2877 -7.2877 -7.2705 -7.2704 -7.1215 -7.1215 -7.0497 -7.0497 -6.8106 -6.8104 -6.7783 -6.7783 -3.9791 -3.9790 -3.7335 -3.7333 -2.2700 -2.2697 -1.9183 -1.9182 0.5169 0.5194 0.5496 0.5503 1.1741 1.1743 1.3109 1.3132 1.5346 1.5449 1.6630 1.6636 2.1652 2.1712 2.4073 2.4080 2.7031 2.7170 2.9028 2.9283 2.9632 2.9829 3.1961 3.2068 3.2562 3.2597 3.3676 3.3792 3.6396 3.6430 3.7718 3.7720 3.7972 3.8214 3.9110 3.9244 4.0287 4.0431 4.1293 4.1388 4.2779 4.2809 4.3398 4.3482 4.5381 4.5464 4.7815 4.7973 6.5294 6.5440 6.8223 6.8287 7.0132 7.0352 7.1966 7.2135 7.2377 7.2487 7.5288 7.5329 7.8252 7.8335 k = 0.0000 0.1015-0.0000 ( 16010 PWs) bands (ev): -9.0373 -9.0373 -8.8735 -8.8735 -7.2904 -7.2904 -7.2583 -7.2581 -7.1066 -7.1066 -7.0462 -7.0462 -6.8238 -6.8236 -6.7924 -6.7924 -3.9881 -3.9880 -3.7253 -3.7251 -2.2888 -2.2886 -1.9118 -1.9118 0.5435 0.5459 0.5714 0.5721 1.1698 1.1700 1.3192 1.3216 1.5478 1.5588 1.6808 1.6809 2.1203 2.1264 2.3743 2.3746 2.7232 2.7358 2.9118 2.9406 2.9759 3.0017 3.2056 3.2155 3.2516 3.2613 3.3777 3.3857 3.6285 3.6302 3.7691 3.7712 3.7988 3.8234 3.8992 3.9089 4.0240 4.0385 4.1209 4.1255 4.2671 4.2727 4.3300 4.3319 4.5213 4.5293 4.7587 4.7755 6.5179 6.5307 6.8160 6.8230 7.0366 7.0629 7.1881 7.2149 7.2393 7.2430 7.5329 7.5376 7.8453 7.8536 k = 0.0000 0.0889-0.0000 ( 16024 PWs) bands (ev): -9.0428 -9.0428 -8.8694 -8.8694 -7.2933 -7.2933 -7.2449 -7.2448 -7.0901 -7.0900 -7.0444 -7.0444 -6.8365 -6.8364 -6.8077 -6.8076 -3.9962 -3.9961 -3.7180 -3.7179 -2.3061 -2.3058 -1.9063 -1.9063 0.5702 0.5726 0.5916 0.5922 1.1660 1.1662 1.3274 1.3297 1.5644 1.5760 1.6985 1.6990 2.0738 2.0801 2.3380 2.3392 2.7432 2.7541 2.9224 2.9532 2.9917 3.0230 3.2163 3.2268 3.2443 3.2591 3.3879 3.3922 3.6158 3.6160 3.7650 3.7683 3.8009 3.8258 3.8841 3.8910 4.0230 4.0366 4.1105 4.1107 4.2555 4.2642 4.3211 4.3269 4.5067 4.5140 4.7331 4.7506 6.5080 6.5190 6.8104 6.8173 7.0599 7.0909 7.1789 7.2132 7.2428 7.2429 7.5359 7.5409 7.8642 7.8723 k = 0.0000 0.0762-0.0000 ( 16019 PWs) bands (ev): -9.0477 -9.0477 -8.8659 -8.8659 -7.2962 -7.2962 -7.2309 -7.2307 -7.0724 -7.0723 -7.0446 -7.0445 -6.8483 -6.8482 -6.8239 -6.8238 -4.0033 -4.0032 -3.7117 -3.7115 -2.3215 -2.3213 -1.9018 -1.9018 0.5962 0.5985 0.6097 0.6103 1.1626 1.1629 1.3351 1.3375 1.5844 1.5965 1.7163 1.7175 2.0276 2.0340 2.2993 2.3012 2.7622 2.7712 2.9340 2.9653 3.0100 3.0462 3.2232 3.2406 3.2407 3.2542 3.3979 3.3989 3.5992 3.6004 3.7611 3.7640 3.8012 3.8264 3.8692 3.8746 4.0243 4.0361 4.0945 4.0990 4.2436 4.2536 4.3183 4.3301 4.4945 4.5007 4.7056 4.7234 6.4997 6.5089 6.8057 6.8121 7.0812 7.1169 7.1724 7.2123 7.2451 7.2467 7.5376 7.5424 7.8816 7.8891 k = 0.0000 0.0635-0.0000 ( 16021 PWs) bands (ev): -9.0519 -9.0519 -8.8629 -8.8629 -7.2990 -7.2990 -7.2164 -7.2162 -7.0539 -7.0538 -7.0467 -7.0467 -6.8587 -6.8586 -6.8408 -6.8408 -4.0093 -4.0092 -3.7063 -3.7062 -2.3349 -2.3347 -1.8981 -1.8981 0.6207 0.6227 0.6254 0.6258 1.1598 1.1600 1.3421 1.3443 1.6075 1.6202 1.7342 1.7363 1.9829 1.9895 2.2591 2.2615 2.7796 2.7866 2.9464 2.9765 3.0295 3.0700 3.2138 3.2417 3.2543 3.2632 3.4054 3.4074 3.5790 3.5814 3.7581 3.7590 3.7978 3.8224 3.8579 3.8637 4.0266 4.0359 4.0789 4.0862 4.2324 4.2417 4.3230 4.3381 4.4846 4.4895 4.6773 4.6950 6.4928 6.5004 6.8020 6.8075 7.0986 7.1360 7.1726 7.2143 7.2484 7.2504 7.5378 7.5423 7.8968 7.9036 k = 0.0000 0.0508-0.0000 ( 16015 PWs) bands (ev): -9.0553 -9.0553 -8.8604 -8.8604 -7.3015 -7.3015 -7.2019 -7.2018 -7.0509 -7.0508 -7.0350 -7.0349 -6.8674 -6.8673 -6.8583 -6.8582 -4.0143 -4.0142 -3.7018 -3.7017 -2.3461 -2.3460 -1.8952 -1.8951 0.6381 0.6386 0.6427 0.6447 1.1575 1.1577 1.3481 1.3501 1.6330 1.6460 1.7523 1.7552 1.9410 1.9474 2.2189 2.2215 2.7947 2.7999 2.9591 2.9866 3.0490 3.0931 3.1986 3.2304 3.2762 3.2867 3.4113 3.4159 3.5547 3.5578 3.7544 3.7568 3.7907 3.8140 3.8517 3.8586 4.0291 4.0352 4.0652 4.0734 4.2229 4.2303 4.3329 4.3492 4.4769 4.4804 4.6496 4.6665 6.4875 6.4934 6.7993 6.8038 7.1113 7.1418 7.1846 7.2186 7.2529 7.2545 7.5367 7.5406 7.9096 7.9154 k = 0.0000 0.0381-0.0000 ( 15999 PWs) bands (ev): -9.0581 -9.0580 -8.8585 -8.8585 -7.3035 -7.3035 -7.1882 -7.1881 -7.0565 -7.0565 -7.0163 -7.0162 -6.8759 -6.8758 -6.8742 -6.8740 -4.0181 -4.0181 -3.6984 -3.6983 -2.3550 -2.3549 -1.8929 -1.8929 0.6482 0.6486 0.6612 0.6628 1.1557 1.1558 1.3529 1.3547 1.6596 1.6724 1.7701 1.7741 1.9029 1.9088 2.1812 2.1836 2.8069 2.8106 2.9715 2.9948 3.0678 3.1144 3.1815 3.2168 3.3031 3.3153 3.4159 3.4232 3.5265 3.5296 3.7510 3.7572 3.7821 3.8042 3.8493 3.8562 4.0312 4.0337 4.0549 4.0615 4.2155 4.2207 4.3458 4.3616 4.4712 4.4733 4.6244 4.6395 6.4835 6.4880 6.7974 6.8008 7.1199 7.1405 7.2003 7.2228 7.2591 7.2595 7.5346 7.5378 7.9197 7.9244 k = 0.0000 0.0254-0.0000 ( 15997 PWs) bands (ev): -9.0600 -9.0600 -8.8571 -8.8571 -7.3050 -7.3050 -7.1764 -7.1763 -7.0627 -7.0626 -6.9986 -6.9985 -6.8926 -6.8925 -6.8789 -6.8789 -4.0209 -4.0209 -3.6959 -3.6958 -2.3614 -2.3613 -1.8914 -1.8914 0.6555 0.6557 0.6753 0.6764 1.1544 1.1545 1.3565 1.3578 1.6853 1.6966 1.7872 1.7921 1.8700 1.8744 2.1493 2.1511 2.8159 2.8182 2.9829 3.0000 3.0863 3.1335 3.1636 3.2019 3.3337 3.3477 3.4180 3.4293 3.4958 3.4974 3.7498 3.7586 3.7751 3.7948 3.8488 3.8542 4.0315 4.0325 4.0487 4.0520 4.2103 4.2136 4.3596 4.3726 4.4673 4.4681 4.6040 4.6158 6.4810 6.4839 6.7962 6.7986 7.1255 7.1379 7.2125 7.2253 7.2654 7.2661 7.5324 7.5346 7.9272 7.9305 k = 0.0000 0.0127-0.0000 ( 16003 PWs) bands (ev): -9.0612 -9.0612 -8.8563 -8.8563 -7.3059 -7.3059 -7.1680 -7.1680 -7.0676 -7.0676 -6.9842 -6.9841 -6.9065 -6.9064 -6.8818 -6.8817 -4.0226 -4.0226 -3.6944 -3.6944 -2.3653 -2.3653 -1.8905 -1.8905 0.6598 0.6600 0.6843 0.6848 1.1537 1.1537 1.3588 1.3595 1.7066 1.7141 1.8034 1.8083 1.8437 1.8452 2.1274 2.1284 2.8216 2.8227 2.9924 3.0015 3.1048 3.1407 3.1553 3.1862 3.3658 3.3816 3.4156 3.4340 3.4636 3.4666 3.7509 3.7577 3.7737 3.7861 3.8493 3.8522 4.0303 4.0323 4.0456 4.0461 4.2074 4.2090 4.3718 4.3793 4.4649 4.4650 4.5914 4.5980 6.4798 6.4812 6.7958 6.7970 7.1294 7.1352 7.2201 7.2257 7.2707 7.2714 7.5308 7.5319 7.9320 7.9337 k = 0.0000 0.0000 0.0000 ( 16007 PWs) bands (ev): -9.0616 -9.0616 -8.8561 -8.8561 -7.3062 -7.3062 -7.1649 -7.1649 -7.0696 -7.0696 -6.9780 -6.9780 -6.9124 -6.9124 -6.8827 -6.8827 -4.0231 -4.0231 -3.6939 -3.6939 -2.3666 -2.3666 -1.8902 -1.8902 0.6613 0.6613 0.6875 0.6875 1.1534 1.1534 1.3598 1.3598 1.7181 1.7181 1.8190 1.8190 1.8267 1.8267 2.1198 2.1198 2.8238 2.8238 2.9988 2.9988 3.1235 3.1235 3.1703 3.1703 3.3928 3.3928 3.4230 3.4230 3.4486 3.4486 3.7540 3.7540 3.7786 3.7786 3.8505 3.8505 4.0308 4.0308 4.0445 4.0445 4.2070 4.2070 4.3791 4.3791 4.4641 4.4641 4.5893 4.5893 6.4798 6.4798 6.7961 6.7961 7.1325 7.1325 7.2241 7.2241 7.2731 7.2731 7.5305 7.5305 7.9342 7.9342 k = 0.0000 0.0000 0.0000 ( 16007 PWs) bands (ev): -9.0616 -9.0616 -8.8561 -8.8561 -7.3062 -7.3062 -7.1649 -7.1649 -7.0696 -7.0696 -6.9780 -6.9780 -6.9124 -6.9124 -6.8827 -6.8827 -4.0231 -4.0231 -3.6939 -3.6939 -2.3666 -2.3666 -1.8902 -1.8902 0.6613 0.6613 0.6875 0.6875 1.1534 1.1534 1.3598 1.3598 1.7181 1.7181 1.8190 1.8190 1.8267 1.8267 2.1198 2.1198 2.8238 2.8238 2.9988 2.9988 3.1235 3.1235 3.1703 3.1703 3.3928 3.3928 3.4230 3.4230 3.4486 3.4486 3.7540 3.7540 3.7786 3.7786 3.8505 3.8505 4.0308 4.0308 4.0445 4.0445 4.2070 4.2070 4.3791 4.3791 4.4641 4.4641 4.5893 4.5893 6.4798 6.4798 6.7961 6.7961 7.1325 7.1325 7.2241 7.2241 7.2731 7.2731 7.5305 7.5305 7.9342 7.9342 k = 0.0000 0.0000 0.0127 ( 16005 PWs) bands (ev): -9.0611 -9.0611 -8.8566 -8.8566 -7.3073 -7.3073 -7.1657 -7.1657 -7.0673 -7.0672 -6.9780 -6.9779 -6.9197 -6.9194 -6.8755 -6.8752 -4.0232 -4.0232 -3.6957 -3.6956 -2.3646 -2.3646 -1.8906 -1.8906 0.6601 0.6602 0.6868 0.6869 1.1538 1.1540 1.3588 1.3601 1.7180 1.7199 1.8201 1.8204 1.8289 1.8310 2.1198 2.1208 2.8175 2.8224 2.9982 2.9995 3.1066 3.1378 3.1531 3.1834 3.3884 3.3954 3.4150 3.4309 3.4463 3.4508 3.7410 3.7413 3.7700 3.7799 3.8585 3.8759 4.0123 4.0247 4.0526 4.0677 4.2049 4.2110 4.3559 4.3780 4.4701 4.4850 4.5914 4.5930 6.4776 6.4793 6.7936 6.7947 7.1276 7.1355 7.2146 7.2257 7.2710 7.2717 7.5280 7.5348 7.9296 7.9331 k = 0.0000 0.0000 0.0254 ( 16019 PWs) bands (ev): -9.0598 -9.0597 -8.8582 -8.8581 -7.3106 -7.3106 -7.1682 -7.1682 -7.0606 -7.0604 -6.9780 -6.9779 -6.9330 -6.9325 -6.8618 -6.8614 -4.0234 -4.0233 -3.7010 -3.7010 -2.3587 -2.3586 -1.8918 -1.8918 0.6567 0.6569 0.6847 0.6851 1.1551 1.1554 1.3569 1.3594 1.7197 1.7232 1.8241 1.8243 1.8377 1.8411 2.1207 2.1228 2.8040 2.8129 2.9976 3.0002 3.0895 3.1327 3.1489 3.1905 3.3816 3.3920 3.4119 3.4376 3.4455 3.4522 3.7120 3.7154 3.7661 3.7709 3.8893 3.9131 3.9979 4.0090 4.0768 4.0941 4.2031 4.2171 4.3263 4.3599 4.4974 4.5157 4.5993 4.6024 6.4725 6.4759 6.7873 6.7897 7.1204 7.1367 7.1973 7.2201 7.2662 7.2671 7.5267 7.5401 7.9203 7.9246 k = 0.0000 0.0000 0.0381 ( 15985 PWs) bands (ev): -9.0575 -9.0575 -8.8608 -8.8607 -7.3154 -7.3154 -7.1724 -7.1723 -7.0501 -7.0499 -6.9779 -6.9777 -6.9467 -6.9462 -6.8471 -6.8467 -4.0235 -4.0235 -3.7098 -3.7096 -2.3490 -2.3488 -1.8939 -1.8939 0.6512 0.6515 0.6814 0.6820 1.1573 1.1578 1.3543 1.3577 1.7233 1.7281 1.8303 1.8314 1.8521 1.8562 2.1229 2.1260 2.7838 2.7954 2.9972 3.0008 3.0737 3.1127 3.1532 3.1901 3.3714 3.3798 3.4163 3.4381 3.4514 3.4531 3.6829 3.6869 3.7602 3.7609 3.9197 3.9481 3.9913 4.0003 4.1028 4.1231 4.1997 4.2233 4.3019 4.3439 4.5295 4.5481 4.6125 4.6174 6.4646 6.4695 6.7773 6.7812 7.1098 7.1345 7.1748 7.2091 7.2596 7.2606 7.5253 7.5446 7.9073 7.9081 k = 0.0000 0.0000 0.0508 ( 15983 PWs) bands (ev): -9.0543 -9.0543 -8.8643 -8.8643 -7.3212 -7.3211 -7.1784 -7.1783 -7.0370 -7.0368 -6.9773 -6.9770 -6.9595 -6.9591 -6.8327 -6.8323 -4.0236 -4.0236 -3.7215 -3.7214 -2.3358 -2.3356 -1.8970 -1.8969 0.6442 0.6446 0.6769 0.6777 1.1605 1.1611 1.3509 1.3550 1.7290 1.7344 1.8393 1.8413 1.8708 1.8755 2.1267 2.1310 2.7576 2.7705 2.9970 3.0013 3.0600 3.0925 3.1515 3.1820 3.3583 3.3637 3.4213 3.4348 3.4549 3.4610 3.6571 3.6605 3.7509 3.7525 3.9344 3.9613 4.0003 4.0117 4.1303 4.1535 4.1942 4.2245 4.2930 4.3380 4.5614 4.5795 4.6305 4.6370 6.4538 6.4601 6.7638 6.7696 7.0948 7.1213 7.1568 7.1958 7.2516 7.2528 7.5219 7.5466 7.8879 7.8925 k = 0.0000 0.0000 0.0634 ( 15997 PWs) bands (ev): -9.0503 -9.0502 -8.8689 -8.8689 -7.3271 -7.3271 -7.1860 -7.1859 -7.0228 -7.0225 -6.9757 -6.9753 -6.9708 -6.9704 -6.8194 -6.8190 -4.0234 -4.0234 -3.7360 -3.7358 -2.3194 -2.3192 -1.9011 -1.9011 0.6360 0.6366 0.6714 0.6723 1.1647 1.1654 1.3468 1.3514 1.7367 1.7424 1.8510 1.8538 1.8922 1.8973 2.1328 2.1383 2.7264 2.7396 2.9968 3.0015 3.0482 3.0725 3.1440 3.1669 3.3431 3.3457 3.4226 3.4302 3.4593 3.4706 3.6355 3.6378 3.7413 3.7439 3.9324 3.9538 4.0199 4.0358 4.1601 4.1801 4.1950 4.2207 4.3040 4.3441 4.5914 4.6089 4.6523 4.6604 6.4402 6.4477 6.7469 6.7549 7.0750 7.0921 7.1510 7.1836 7.2424 7.2437 7.5152 7.5446 7.8683 7.8777 k = 0.0000 0.0000 0.0761 ( 15997 PWs) bands (ev): -9.0454 -9.0454 -8.8744 -8.8743 -7.3328 -7.3327 -7.1953 -7.1952 -7.0102 -7.0097 -6.9812 -6.9807 -6.9702 -6.9698 -6.8074 -6.8070 -4.0227 -4.0227 -3.7528 -3.7525 -2.3003 -2.3000 -1.9065 -1.9065 0.6272 0.6280 0.6649 0.6659 1.1698 1.1705 1.3420 1.3467 1.7464 1.7520 1.8652 1.8688 1.9142 1.9200 2.1422 2.1487 2.6915 2.7045 2.9964 3.0007 3.0377 3.0525 3.1321 3.1461 3.3269 3.3273 3.4193 3.4244 3.4655 3.4782 3.6179 3.6192 3.7327 3.7355 3.9236 3.9399 4.0357 4.0533 4.1873 4.1936 4.2208 4.2230 4.3281 4.3604 4.6190 4.6355 4.6771 4.6865 6.4242 6.4326 6.7264 6.7370 7.0517 7.0572 7.1494 7.1746 7.2323 7.2331 7.5044 7.5377 7.8513 7.8644 k = 0.0000 0.0000 0.0888 ( 15985 PWs) bands (ev): -9.0397 -9.0397 -8.8807 -8.8806 -7.3376 -7.3376 -7.2060 -7.2059 -7.0020 -7.0016 -6.9893 -6.9888 -6.9596 -6.9592 -6.7970 -6.7967 -4.0214 -4.0214 -3.7714 -3.7711 -2.2788 -2.2786 -1.9133 -1.9133 0.6184 0.6193 0.6576 0.6588 1.1758 1.1765 1.3365 1.3411 1.7578 1.7632 1.8817 1.8862 1.9349 1.9411 2.1560 2.1633 2.6542 2.6670 2.9948 2.9967 3.0274 3.0334 3.1179 3.1219 3.3095 3.3109 3.4121 3.4170 3.4716 3.4831 3.6040 3.6048 3.7256 3.7279 3.9106 3.9217 4.0446 4.0638 4.1968 4.2199 4.2379 4.2579 4.3595 4.3845 4.6440 4.6590 4.7037 4.7138 6.4063 6.4153 6.7019 6.7153 7.0231 7.0277 7.1478 7.1684 7.2212 7.2224 7.4895 7.5259 7.8378 7.8530 k = 0.0000 0.0000 0.1015 ( 15993 PWs) bands (ev): -9.0333 -9.0332 -8.8878 -8.8877 -7.3414 -7.3413 -7.2179 -7.2178 -6.9986 -6.9983 -6.9957 -6.9952 -6.9436 -6.9433 -6.7886 -6.7883 -4.0193 -4.0192 -3.7913 -3.7910 -2.2555 -2.2552 -1.9216 -1.9216 0.6100 0.6110 0.6497 0.6510 1.1827 1.1834 1.3302 1.3346 1.7709 1.7760 1.9000 1.9052 1.9527 1.9590 2.1751 2.1822 2.6161 2.6291 2.9822 2.9889 3.0180 3.0210 3.0976 3.1035 3.2930 3.2959 3.4012 3.4072 3.4768 3.4857 3.5932 3.5939 3.7202 3.7217 3.8936 3.8999 4.0516 4.0727 4.2084 4.2282 4.2780 4.2951 4.3950 4.4140 4.6662 4.6796 4.7309 4.7413 6.3876 6.3967 6.6728 6.6887 6.9931 7.0061 7.1439 7.1639 7.2092 7.2147 7.4709 7.5094 7.8276 7.8439 k = 0.0000 0.0000 0.1142 ( 15989 PWs) bands (ev): -9.0261 -9.0261 -8.8956 -8.8955 -7.3438 -7.3437 -7.2307 -7.2306 -7.0006 -7.0002 -6.9978 -6.9976 -6.9249 -6.9246 -6.7823 -6.7820 -4.0160 -4.0159 -3.8121 -3.8119 -2.2307 -2.2305 -1.9315 -1.9315 0.6023 0.6035 0.6413 0.6428 1.1904 1.1910 1.3231 1.3272 1.7855 1.7900 1.9187 1.9246 1.9676 1.9735 2.1987 2.2045 2.5793 2.5934 2.9546 2.9723 3.0125 3.0175 3.0768 3.0902 3.2785 3.2827 3.3868 3.3942 3.4816 3.4875 3.5846 3.5853 3.7167 3.7172 3.8733 3.8759 4.0611 4.0838 4.2183 4.2342 4.3203 4.3336 4.4321 4.4462 4.6861 4.6973 4.7572 4.7675 6.3694 6.3781 6.6392 6.6565 6.9699 6.9893 7.1354 7.1579 7.1998 7.2118 7.4496 7.4892 7.8204 7.8367 k = 0.0000 0.0000 0.1269 ( 15985 PWs) bands (ev): -9.0184 -9.0183 -8.9040 -8.9040 -7.3447 -7.3446 -7.2440 -7.2439 -7.0040 -7.0037 -6.9983 -6.9981 -6.9052 -6.9051 -6.7783 -6.7780 -4.0114 -4.0113 -3.8334 -3.8332 -2.2050 -2.2048 -1.9433 -1.9433 0.5959 0.5972 0.6328 0.6343 1.1988 1.1994 1.3154 1.3190 1.8013 1.8053 1.9347 1.9410 1.9823 1.9877 2.2239 2.2271 2.5469 2.5633 2.9192 2.9435 3.0111 3.0174 3.0617 3.0785 3.2667 3.2719 3.3696 3.3781 3.4864 3.4899 3.5771 3.5779 3.7146 3.7151 3.8512 3.8512 4.0745 4.0976 4.2247 4.2380 4.3618 4.3719 4.4683 4.4784 4.7040 4.7131 4.7811 4.7911 6.3532 6.3612 6.6013 6.6191 6.9546 6.9786 7.1213 7.1466 7.1970 7.2148 7.4262 7.4663 7.8157 7.8312 k = 0.0000 0.0000 0.1396 ( 15965 PWs) bands (ev): -9.0100 -9.0100 -8.9130 -8.9129 -7.3440 -7.3439 -7.2574 -7.2573 -7.0064 -7.0060 -6.9993 -6.9992 -6.8856 -6.8855 -6.7766 -6.7764 -4.0053 -4.0052 -3.8547 -3.8544 -2.1787 -2.1785 -1.9568 -1.9568 0.5909 0.5923 0.6243 0.6259 1.2079 1.2083 1.3070 1.3102 1.8180 1.8214 1.9436 1.9493 2.0017 2.0072 2.2445 2.2454 2.5237 2.5436 2.8789 2.9060 3.0117 3.0188 3.0512 3.0684 3.2578 3.2640 3.3505 3.3598 3.4918 3.4936 3.5700 3.5708 3.7140 3.7154 3.8275 3.8291 4.0912 4.1139 4.2271 4.2391 4.4011 4.4088 4.5009 4.5079 4.7211 4.7278 4.8013 4.8106 6.3409 6.3476 6.5606 6.5776 6.9472 6.9742 7.1030 7.1296 7.2014 7.2231 7.4017 7.4416 7.8129 7.8273 k = 0.0000 0.0000 0.1523 ( 15985 PWs) bands (ev): -9.0011 -9.0011 -8.9223 -8.9223 -7.3416 -7.3416 -7.2706 -7.2706 -7.0077 -7.0074 -7.0007 -7.0007 -6.8667 -6.8667 -6.7774 -6.7772 -3.9977 -3.9975 -3.8756 -3.8754 -2.1523 -2.1521 -1.9723 -1.9722 0.5875 0.5891 0.6161 0.6178 1.2175 1.2177 1.2980 1.3008 1.8354 1.8382 1.9443 1.9489 2.0272 2.0332 2.2504 2.2555 2.5161 2.5400 2.8351 2.8631 3.0131 3.0208 3.0435 3.0597 3.2523 3.2594 3.3308 3.3405 3.4980 3.4987 3.5625 3.5633 3.7154 3.7175 3.8055 3.8080 4.1099 4.1317 4.2256 4.2373 4.4375 4.4433 4.5271 4.5316 4.7386 4.7430 4.8162 4.8247 6.3341 6.3390 6.5186 6.5340 6.9470 6.9756 7.0820 7.1094 7.2109 7.2356 7.3766 7.4159 7.8119 7.8247 k = 0.0000 0.0000 0.1650 ( 15996 PWs) bands (ev): -8.9919 -8.9918 -8.9321 -8.9320 -7.3377 -7.3376 -7.2834 -7.2834 -7.0082 -7.0080 -7.0022 -7.0022 -6.8489 -6.8489 -6.7807 -6.7806 -3.9882 -3.9881 -3.8958 -3.8956 -2.1261 -2.1258 -1.9896 -1.9895 0.5859 0.5875 0.6084 0.6101 1.2275 1.2275 1.2886 1.2908 1.8532 1.8552 1.9391 1.9426 2.0570 2.0637 2.2413 2.2493 2.5283 2.5549 2.7887 2.8168 3.0151 3.0234 3.0374 3.0522 3.2503 3.2581 3.3116 3.3215 3.5049 3.5051 3.5547 3.5553 3.7189 3.7214 3.7858 3.7888 4.1296 4.1500 4.2203 4.2324 4.4703 4.4746 4.5447 4.5474 4.7575 4.7595 4.8248 4.8323 6.3341 6.3369 6.4774 6.4906 6.9527 6.9822 7.0598 7.0879 7.2242 7.2515 7.3515 7.3898 7.8123 7.8236 k = 0.0000 0.0000 0.1777 ( 15998 PWs) bands (ev): -8.9822 -8.9822 -8.9420 -8.9420 -7.3321 -7.3320 -7.2954 -7.2954 -7.0081 -7.0079 -7.0038 -7.0037 -6.8325 -6.8325 -6.7865 -6.7864 -3.9770 -3.9769 -3.9150 -3.9148 -2.1004 -2.1002 -2.0087 -2.0086 0.5859 0.5876 0.6015 0.6032 1.2377 1.2379 1.2787 1.2805 1.8709 1.8722 1.9300 1.9324 2.0894 2.0967 2.2198 2.2287 2.5576 2.5851 2.7405 2.7685 3.0177 3.0266 3.0324 3.0455 3.2520 3.2605 3.2939 3.3039 3.5125 3.5126 3.5464 3.5469 3.7244 3.7272 3.7686 3.7718 4.1493 4.1680 4.2116 4.2245 4.4989 4.5019 4.5524 4.5539 4.7774 4.7776 4.8267 4.8330 6.3419 6.3422 6.4389 6.4495 6.9633 6.9932 7.0374 7.0661 7.2405 7.2701 7.3268 7.3638 7.8142 7.8239 k = 0.0000 0.0000 0.1903 ( 16004 PWs) bands (ev): -8.9723 -8.9723 -8.9521 -8.9521 -7.3249 -7.3249 -7.3065 -7.3065 -7.0075 -7.0073 -7.0052 -7.0051 -6.8179 -6.8179 -6.7947 -6.7946 -3.9640 -3.9639 -3.9329 -3.9327 -2.0756 -2.0754 -2.0295 -2.0294 0.5876 0.5893 0.5955 0.5973 1.2480 1.2486 1.2686 1.2700 1.8882 1.8886 1.9181 1.9195 2.1233 2.1312 2.1906 2.1994 2.5976 2.6253 2.6916 2.7195 3.0206 3.0280 3.0304 3.0398 3.2574 3.2664 3.2786 3.2885 3.5207 3.5207 3.5378 3.5381 3.7320 3.7351 3.7540 3.7572 4.1680 4.1851 4.1997 4.2138 4.5224 4.5244 4.5504 4.5515 4.7952 4.7972 4.8217 4.8267 6.3555 6.3578 6.4047 6.4127 6.9779 7.0078 7.0158 7.0449 7.2594 7.2911 7.3029 7.3384 7.8175 7.8256 k = 0.0000 0.0000 0.2030 ( 16024 PWs) bands (ev): -8.9623 -8.9623 -8.9622 -8.9622 -7.3164 -7.3164 -7.3163 -7.3163 -7.0065 -7.0065 -7.0064 -7.0064 -6.8052 -6.8052 -6.8052 -6.8052 -3.9493 -3.9493 -3.9491 -3.9491 -2.0518 -2.0518 -2.0517 -2.0517 0.5909 0.5909 0.5926 0.5926 1.2583 1.2583 1.2593 1.2593 1.9041 1.9041 1.9045 1.9045 2.1576 2.1576 2.1660 2.1660 2.6433 2.6433 2.6711 2.6711 3.0241 3.0241 3.0347 3.0347 3.2663 3.2663 3.2758 3.2758 3.5292 3.5292 3.5293 3.5293 3.7418 3.7418 3.7450 3.7450 4.1850 4.1850 4.2005 4.2005 4.5400 4.5400 4.5413 4.5413 4.8107 4.8107 4.8142 4.8142 6.3765 6.3765 6.3817 6.3817 6.9957 6.9957 7.0253 7.0253 7.2803 7.2803 7.3140 7.3140 7.8220 7.8220 k = 0.0000 0.0000 0.2030 ( 16024 PWs) bands (ev): -8.9623 -8.9623 -8.9622 -8.9622 -7.3164 -7.3164 -7.3163 -7.3163 -7.0065 -7.0065 -7.0064 -7.0064 -6.8052 -6.8052 -6.8052 -6.8052 -3.9493 -3.9493 -3.9491 -3.9491 -2.0518 -2.0518 -2.0517 -2.0517 0.5909 0.5909 0.5926 0.5926 1.2583 1.2583 1.2593 1.2593 1.9041 1.9041 1.9045 1.9045 2.1576 2.1576 2.1660 2.1660 2.6433 2.6433 2.6711 2.6711 3.0241 3.0241 3.0347 3.0347 3.2663 3.2663 3.2758 3.2758 3.5292 3.5292 3.5293 3.5293 3.7418 3.7418 3.7450 3.7450 4.1850 4.1850 4.2005 4.2005 4.5400 4.5400 4.5413 4.5413 4.8107 4.8107 4.8142 4.8142 6.3765 6.3765 6.3817 6.3817 6.9957 6.9957 7.0253 7.0253 7.2803 7.2803 7.3140 7.3140 7.8220 7.8220 k = 0.0128-0.0000 0.2030 ( 16008 PWs) bands (ev): -8.9613 -8.9612 -8.9612 -8.9612 -7.3158 -7.3158 -7.3157 -7.3157 -7.0064 -7.0062 -7.0062 -7.0061 -6.8049 -6.8048 -6.8048 -6.8048 -3.9499 -3.9498 -3.9497 -3.9496 -2.0531 -2.0530 -2.0529 -2.0527 0.5876 0.5893 0.5938 0.5956 1.2477 1.2483 1.2541 1.2553 1.8842 1.8862 1.9196 1.9208 2.1472 2.1587 2.1800 2.1847 2.6355 2.6424 2.6621 2.6701 3.0236 3.0272 3.0339 3.0375 3.2618 3.2696 3.2741 3.2758 3.5010 3.5010 3.5564 3.5570 3.7116 3.7158 3.7746 3.7764 4.1775 4.1813 4.1946 4.1949 4.5357 4.5376 4.5451 4.5461 4.8067 4.8091 4.8096 4.8130 6.3803 6.3840 6.3867 6.3932 6.9812 7.0093 7.0123 7.0422 7.2790 7.2910 7.3125 7.3236 7.8111 7.8165 k = 0.0256-0.0000 0.2030 ( 15990 PWs) bands (ev): -8.9582 -8.9582 -8.9581 -8.9581 -7.3141 -7.3141 -7.3139 -7.3139 -7.0058 -7.0056 -7.0055 -7.0055 -6.8037 -6.8037 -6.8037 -6.8036 -3.9516 -3.9514 -3.9514 -3.9511 -2.0567 -2.0566 -2.0562 -2.0559 0.5838 0.5856 0.5964 0.5984 1.2229 1.2230 1.2362 1.2377 1.8639 1.8673 1.9275 1.9295 2.1519 2.1659 2.2103 2.2111 2.6189 2.6342 2.6435 2.6601 3.0251 3.0328 3.0345 3.0424 3.2555 3.2698 3.2721 3.2746 3.4747 3.4751 3.5769 3.5780 3.6895 3.6948 3.8066 3.8070 4.1592 4.1673 4.1774 4.1782 4.5316 4.5343 4.5514 4.5524 4.7973 4.7992 4.8025 4.8063 6.3978 6.4001 6.4096 6.4176 6.9695 6.9957 7.0303 7.0589 7.2882 7.3101 7.3198 7.3411 7.8045 7.8083 k = 0.0385-0.0000 0.2030 ( 15998 PWs) bands (ev): -8.9532 -8.9531 -8.9530 -8.9530 -7.3112 -7.3112 -7.3110 -7.3110 -7.0048 -7.0045 -7.0044 -7.0044 -6.8019 -6.8018 -6.8018 -6.8018 -3.9544 -3.9542 -3.9540 -3.9538 -2.0626 -2.0625 -2.0618 -2.0615 0.5793 0.5811 0.5987 0.6008 1.1857 1.1861 1.2073 1.2091 1.8436 1.8482 1.9254 1.9273 2.1713 2.1868 2.2406 2.2445 2.5950 2.6174 2.6215 2.6441 3.0280 3.0361 3.0404 3.0490 3.2464 3.2622 3.2726 3.2739 3.4518 3.4530 3.5811 3.5821 3.6850 3.6920 3.8328 3.8367 4.1312 4.1449 4.1504 4.1520 4.5263 4.5305 4.5589 4.5599 4.7831 4.7837 4.7922 4.7953 6.4284 6.4291 6.4436 6.4531 6.9609 6.9851 7.0487 7.0742 7.3086 7.3362 7.3371 7.3660 7.8024 7.8044 k = 0.0513-0.0000 0.2030 ( 16002 PWs) bands (ev): -8.9461 -8.9460 -8.9459 -8.9459 -7.3072 -7.3072 -7.3069 -7.3069 -7.0034 -7.0031 -7.0029 -7.0029 -6.7993 -6.7993 -6.7992 -6.7992 -3.9582 -3.9581 -3.9578 -3.9575 -2.0708 -2.0708 -2.0698 -2.0695 0.5737 0.5756 0.6005 0.6029 1.1395 1.1405 1.1707 1.1726 1.8226 1.8280 1.9137 1.9151 2.1995 2.2161 2.2677 2.2772 2.5666 2.5870 2.6090 2.6267 3.0316 3.0380 3.0492 3.0570 3.2338 3.2507 3.2704 3.2750 3.4335 3.4359 3.5684 3.5689 3.6981 3.7072 3.8518 3.8610 4.0956 4.1158 4.1171 4.1191 4.5189 4.5250 4.5670 4.5681 4.7643 4.7649 4.7795 4.7816 6.4694 6.4703 6.4862 6.4972 6.9560 6.9783 7.0670 7.0877 7.3401 7.3622 7.3713 7.3981 7.8048 7.8051 k = 0.0641-0.0000 0.2030 ( 15986 PWs) bands (ev): -8.9370 -8.9369 -8.9368 -8.9368 -7.3021 -7.3020 -7.3018 -7.3017 -7.0016 -7.0013 -7.0011 -7.0010 -6.7960 -6.7959 -6.7959 -6.7959 -3.9631 -3.9630 -3.9625 -3.9622 -2.0815 -2.0814 -2.0802 -2.0799 0.5667 0.5687 0.6016 0.6044 1.0876 1.0892 1.1295 1.1315 1.7998 1.8058 1.8941 1.8949 2.2278 2.2455 2.2856 2.3013 2.5384 2.5571 2.6027 2.6147 3.0355 3.0400 3.0587 3.0660 3.2171 3.2348 3.2683 3.2754 3.4205 3.4238 3.5497 3.5499 3.7165 3.7282 3.8586 3.8754 4.0553 4.0768 4.0843 4.0894 4.5087 4.5170 4.5749 4.5762 4.7418 4.7436 4.7657 4.7665 6.5188 6.5215 6.5348 6.5472 6.9551 6.9757 7.0850 7.1000 7.3818 7.3975 7.4122 7.4370 7.8101 7.8117 k = 0.0769-0.0000 0.2030 ( 15980 PWs) bands (ev): -8.9259 -8.9258 -8.9256 -8.9256 -7.2959 -7.2958 -7.2955 -7.2955 -6.9995 -6.9992 -6.9989 -6.9988 -6.7920 -6.7920 -6.7919 -6.7919 -3.9690 -3.9689 -3.9683 -3.9679 -2.0946 -2.0945 -2.0931 -2.0927 0.5576 0.5597 0.6015 0.6048 1.0328 1.0352 1.0866 1.0887 1.7745 1.7807 1.8679 1.8684 2.2462 2.2643 2.2881 2.3093 2.5181 2.5343 2.6079 2.6151 3.0399 3.0422 3.0682 3.0755 3.1962 3.2147 3.2669 3.2750 3.4130 3.4169 3.5311 3.5323 3.7307 3.7454 3.8475 3.8724 4.0152 4.0382 4.0558 4.0681 4.4955 4.5061 4.5817 4.5833 4.7173 4.7202 4.7510 4.7517 6.5751 6.5799 6.5865 6.6003 6.9588 6.9780 7.1031 7.1123 7.4322 7.4415 7.4592 7.4822 7.8193 7.8229 k = 0.0897-0.0000 0.2030 ( 15988 PWs) bands (ev): -8.9128 -8.9127 -8.9125 -8.9125 -7.2887 -7.2886 -7.2883 -7.2882 -6.9971 -6.9967 -6.9964 -6.9963 -6.7874 -6.7873 -6.7873 -6.7873 -3.9758 -3.9757 -3.9749 -3.9746 -2.1102 -2.1101 -2.1085 -2.1081 0.5460 0.5482 0.5996 0.6036 0.9778 0.9811 1.0445 1.0468 1.7459 1.7521 1.8360 1.8363 2.2459 2.2625 2.2736 2.2977 2.5137 2.5257 2.6249 2.6302 3.0447 3.0449 3.0769 3.0847 3.1721 3.1918 3.2664 3.2743 3.4109 3.4147 3.5153 3.5180 3.7343 3.7517 3.8164 3.8464 3.9821 4.0062 4.0403 4.0567 4.4797 4.4926 4.5861 4.5882 4.6917 4.6955 4.7355 4.7376 6.6361 6.6386 6.6433 6.6538 6.9676 6.9857 7.1221 7.1256 7.4897 7.4930 7.5118 7.5332 7.8324 7.8380 k = 0.1026-0.0000 0.2030 ( 15998 PWs) bands (ev): -8.8977 -8.8976 -8.8974 -8.8973 -7.2806 -7.2805 -7.2801 -7.2800 -6.9945 -6.9941 -6.9937 -6.9935 -6.7822 -6.7820 -6.7820 -6.7820 -3.9835 -3.9834 -3.9825 -3.9822 -2.1285 -2.1283 -2.1265 -2.1261 0.5312 0.5335 0.5948 0.5997 0.9252 0.9295 1.0054 1.0077 1.7138 1.7197 1.7987 1.7989 2.2243 2.2378 2.2455 2.2699 2.5263 2.5324 2.6489 2.6553 3.0475 3.0506 3.0825 3.0912 3.1486 3.1697 3.2669 3.2736 3.4136 3.4168 3.5023 3.5072 3.7231 3.7416 3.7699 3.8012 3.9632 3.9864 4.0355 4.0521 4.4619 4.4768 4.5864 4.5891 4.6664 4.6710 4.7201 4.7233 6.6889 6.6995 6.7052 6.7094 6.9822 6.9991 7.1413 7.1429 7.5506 7.5529 7.5692 7.5891 7.8487 7.8566 k = 0.1154-0.0000 0.2030 ( 16016 PWs) bands (ev): -8.8807 -8.8805 -8.8803 -8.8803 -7.2716 -7.2715 -7.2711 -7.2710 -6.9917 -6.9913 -6.9908 -6.9906 -6.7763 -6.7762 -6.7762 -6.7761 -3.9920 -3.9919 -3.9909 -3.9905 -2.1494 -2.1491 -2.1472 -2.1468 0.5127 0.5152 0.5857 0.5916 0.8775 0.8829 0.9706 0.9730 1.6780 1.6835 1.7564 1.7566 2.1868 2.1973 2.2085 2.2318 2.5482 2.5485 2.6731 2.6825 3.0501 3.0567 3.0765 3.0877 3.1357 3.1575 3.2682 3.2727 3.4207 3.4232 3.4915 3.4994 3.6979 3.7150 3.7161 3.7464 3.9597 3.9802 4.0339 4.0493 4.4432 4.4596 4.5801 4.5830 4.6441 4.6487 4.7043 4.7083 6.7356 6.7524 6.7632 6.7763 7.0027 7.0183 7.1601 7.1667 7.6131 7.6206 7.6306 7.6491 7.8677 7.8781 k = 0.1282-0.0000 0.2030 ( 16012 PWs) bands (ev): -8.8617 -8.8615 -8.8613 -8.8612 -7.2618 -7.2617 -7.2613 -7.2612 -6.9888 -6.9883 -6.9877 -6.9875 -6.7700 -6.7698 -6.7698 -6.7698 -4.0011 -4.0011 -3.9999 -3.9995 -2.1730 -2.1727 -2.1707 -2.1703 0.4905 0.4932 0.5706 0.5775 0.8372 0.8438 0.9413 0.9438 1.6387 1.6435 1.7094 1.7097 2.1401 2.1484 2.1666 2.1881 2.5670 2.5720 2.6915 2.7046 3.0514 3.0536 3.0621 3.0680 3.1409 3.1629 3.2691 3.2709 3.4323 3.4338 3.4817 3.4936 3.6583 3.6651 3.6835 3.6895 3.9664 3.9840 4.0304 4.0448 4.4244 4.4416 4.5653 4.5674 4.6270 4.6305 4.6877 4.6924 6.7778 6.7945 6.8256 6.8419 7.0289 7.0426 7.1830 7.1941 7.6789 7.6915 7.6952 7.7123 7.8884 7.9017 k = 0.1410-0.0000 0.2030 ( 16014 PWs) bands (ev): -8.8408 -8.8406 -8.8404 -8.8403 -7.2514 -7.2512 -7.2508 -7.2507 -6.9858 -6.9852 -6.9845 -6.9843 -6.7631 -6.7630 -6.7629 -6.7629 -4.0109 -4.0109 -4.0095 -4.0091 -2.1994 -2.1991 -2.1969 -2.1966 0.4648 0.4676 0.5486 0.5562 0.8064 0.8139 0.9177 0.9204 1.5959 1.6001 1.6584 1.6588 2.0887 2.0953 2.1224 2.1419 2.5838 2.5939 2.7000 2.7162 3.0228 3.0384 3.0496 3.0649 3.1569 3.1803 3.2667 3.2679 3.4486 3.4491 3.4719 3.4887 3.6050 3.6321 3.6362 3.6522 3.9779 3.9932 4.0231 4.0372 4.4059 4.4233 4.5428 4.5439 4.6135 4.6154 4.6702 4.6753 6.8156 6.8317 6.8850 6.9045 7.0591 7.0707 7.2105 7.2255 7.7463 7.7618 7.7645 7.7775 7.9102 7.9273 k = 0.1538-0.0000 0.2030 ( 16034 PWs) bands (ev): -8.8180 -8.8178 -8.8176 -8.8174 -7.2404 -7.2403 -7.2399 -7.2398 -6.9827 -6.9821 -6.9813 -6.9810 -6.7558 -6.7557 -6.7556 -6.7556 -4.0212 -4.0211 -4.0196 -4.0191 -2.2286 -2.2283 -2.2261 -2.2257 0.4363 0.4392 0.5199 0.5277 0.7854 0.7932 0.8996 0.9025 1.5501 1.5536 1.6039 1.6043 2.0353 2.0406 2.0774 2.0951 2.5966 2.6118 2.6965 2.7140 2.9897 3.0043 3.0423 3.0631 3.1791 3.2039 3.2588 3.2626 3.4618 3.4690 3.4693 3.4833 3.5600 3.5909 3.6049 3.6277 3.9909 4.0048 4.0117 4.0262 4.3880 4.4048 4.5163 4.5168 4.5996 4.6000 4.6516 4.6569 6.8499 6.8650 6.9405 6.9627 7.0914 7.1007 7.2427 7.2607 7.8125 7.8294 7.8375 7.8435 7.9335 7.9558 k = 0.1667-0.0000 0.2030 ( 16042 PWs) bands (ev): -8.7934 -8.7931 -8.7929 -8.7927 -7.2292 -7.2290 -7.2287 -7.2286 -6.9795 -6.9789 -6.9779 -6.9777 -6.7482 -6.7480 -6.7480 -6.7479 -4.0317 -4.0316 -4.0299 -4.0295 -2.2608 -2.2604 -2.2582 -2.2578 0.4060 0.4089 0.4863 0.4939 0.7725 0.7803 0.8863 0.8894 1.5017 1.5046 1.5466 1.5471 1.9816 1.9857 2.0328 2.0489 2.6047 2.6252 2.6806 2.6972 2.9557 2.9672 3.0272 3.0541 3.2052 3.2310 3.2470 3.2526 3.4518 3.4766 3.4903 3.4925 3.5291 3.5578 3.5870 3.6120 3.9972 4.0039 4.0128 4.0169 4.3702 4.3859 4.4889 4.4892 4.5820 4.5827 4.6322 4.6375 6.8817 6.8957 6.9918 7.0159 7.1236 7.1307 7.2788 7.2988 7.8720 7.8965 7.9034 7.9085 7.9637 7.9910 k = 0.1795-0.0000 0.2030 ( 16058 PWs) bands (ev): -8.7669 -8.7666 -8.7663 -8.7662 -7.2179 -7.2177 -7.2174 -7.2173 -6.9763 -6.9756 -6.9745 -6.9742 -6.7402 -6.7400 -6.7400 -6.7399 -4.0423 -4.0422 -4.0404 -4.0399 -2.2958 -2.2954 -2.2932 -2.2928 0.3749 0.3779 0.4501 0.4572 0.7653 0.7728 0.8769 0.8803 1.4513 1.4536 1.4872 1.4878 1.9285 1.9316 1.9894 2.0042 2.6073 2.6335 2.6535 2.6672 2.9207 2.9277 3.0030 3.0362 3.2330 3.2334 3.2393 3.2593 3.4434 3.4692 3.4906 3.5065 3.5336 3.5477 3.5789 3.6047 3.9812 3.9983 4.0163 4.0286 4.3520 4.3660 4.4623 4.4627 4.5601 4.5618 4.6126 4.6177 6.9119 6.9250 7.0392 7.0641 7.1540 7.1592 7.3171 7.3378 7.9166 7.9430 7.9613 7.9708 8.0189 8.0399 k = 0.1923-0.0000 0.2030 ( 16042 PWs) bands (ev): -8.7386 -8.7383 -8.7380 -8.7378 -7.2068 -7.2065 -7.2064 -7.2062 -6.9729 -6.9723 -6.9709 -6.9707 -6.7320 -6.7318 -6.7318 -6.7317 -4.0528 -4.0527 -4.0507 -4.0502 -2.3337 -2.3333 -2.3311 -2.3307 0.3441 0.3470 0.4133 0.4200 0.7616 0.7688 0.8703 0.8740 1.3995 1.4014 1.4266 1.4273 1.8766 1.8788 1.9476 1.9614 2.6043 2.6172 2.6269 2.6364 2.8844 2.8861 2.9701 3.0097 3.2193 3.2252 3.2614 3.2867 3.4374 3.4626 3.4780 3.4992 3.5618 3.5692 3.5791 3.6044 3.9655 3.9845 4.0276 4.0395 4.3327 4.3447 4.4382 4.4386 4.5343 4.5370 4.5934 4.5983 6.9410 6.9533 7.0832 7.1083 7.1815 7.1851 7.3552 7.3758 7.9441 7.9618 8.0218 8.0281 8.0923 8.1036 k = 0.2051-0.0000 0.2030 ( 16036 PWs) bands (ev): -8.7086 -8.7083 -8.7079 -8.7077 -7.1962 -7.1959 -7.1958 -7.1956 -6.9693 -6.9686 -6.9671 -6.9668 -6.7236 -6.7234 -6.7234 -6.7233 -4.0630 -4.0628 -4.0607 -4.0601 -2.3744 -2.3740 -2.3719 -2.3715 0.3142 0.3171 0.3774 0.3836 0.7597 0.7666 0.8655 0.8696 1.3472 1.3488 1.3658 1.3667 1.8264 1.8278 1.9078 1.9210 2.5741 2.5794 2.5952 2.6333 2.8429 2.8464 2.9314 2.9767 3.2070 3.2118 3.2874 3.3117 3.4341 3.4579 3.4686 3.4891 3.5852 3.5923 3.5989 3.6096 3.9521 3.9731 4.0376 4.0490 4.3120 4.3215 4.4176 4.4181 4.5047 4.5085 4.5756 4.5801 6.9691 6.9808 7.1246 7.1493 7.2057 7.2081 7.3907 7.4105 7.9599 7.9731 8.0760 8.0785 8.1701 8.1758 k = 0.2179-0.0000 0.2030 ( 16042 PWs) bands (ev): -8.6768 -8.6765 -8.6761 -8.6759 -7.1866 -7.1863 -7.1863 -7.1861 -6.9653 -6.9646 -6.9629 -6.9626 -6.7152 -6.7149 -6.7149 -6.7148 -4.0726 -4.0724 -4.0701 -4.0695 -2.4179 -2.4176 -2.4155 -2.4152 0.2860 0.2889 0.3435 0.3492 0.7582 0.7649 0.8613 0.8660 1.2951 1.2966 1.3057 1.3069 1.7781 1.7788 1.8701 1.8830 2.5265 2.5275 2.5798 2.6236 2.7985 2.8066 2.8900 2.9403 3.1960 3.1995 3.3101 3.3334 3.4330 3.4558 3.4623 3.4810 3.5955 3.6189 3.6211 3.6281 3.9423 3.9653 4.0459 4.0566 4.2899 4.2966 4.4014 4.4014 4.4722 4.4775 4.5601 4.5640 6.9957 7.0070 7.1638 7.1878 7.2266 7.2278 7.4211 7.4400 7.9682 7.9797 8.1208 8.1222 8.2487 8.2516 k = 0.2308-0.0000 0.2030 ( 16048 PWs) bands (ev): -8.6434 -8.6430 -8.6426 -8.6424 -7.1785 -7.1783 -7.1781 -7.1780 -6.9606 -6.9600 -6.9580 -6.9577 -6.7067 -6.7065 -6.7064 -6.7063 -4.0813 -4.0812 -4.0787 -4.0781 -2.4641 -2.4638 -2.4619 -2.4615 0.2600 0.2628 0.3120 0.3173 0.7560 0.7626 0.8567 0.8619 1.2443 1.2459 1.2476 1.2491 1.7320 1.7321 1.8346 1.8474 2.4736 2.4765 2.5586 2.6069 2.7529 2.7650 2.8488 2.9030 3.1856 3.1881 3.3283 3.3508 3.4339 3.4562 3.4578 3.4745 3.6084 3.6311 3.6463 3.6542 3.9363 3.9614 4.0519 4.0618 4.2672 4.2708 4.3876 4.3888 4.4396 4.4468 4.5476 4.5508 7.0204 7.0313 7.2011 7.2244 7.2443 7.2448 7.4449 7.4628 7.9713 7.9826 8.1544 8.1596 8.3259 8.3278 k = 0.2436-0.0000 0.2030 ( 16044 PWs) bands (ev): -8.6083 -8.6079 -8.6075 -8.6073 -7.1723 -7.1722 -7.1719 -7.1718 -6.9550 -6.9544 -6.9521 -6.9519 -6.6983 -6.6981 -6.6979 -6.6979 -4.0890 -4.0888 -4.0862 -4.0856 -2.5129 -2.5126 -2.5108 -2.5105 0.2364 0.2392 0.2833 0.2882 0.7521 0.7586 0.8500 0.8559 1.1930 1.1950 1.1958 1.1978 1.6877 1.6880 1.8012 1.8142 2.4199 2.4262 2.5324 2.5838 2.7062 2.7216 2.8091 2.8655 3.1756 3.1774 3.3414 3.3630 3.4371 3.4546 3.4593 3.4692 3.6226 3.6448 3.6668 3.6759 3.9328 3.9602 4.0552 4.0642 4.2456 4.2459 4.3705 4.3722 4.4157 4.4243 4.5386 4.5413 7.0423 7.0530 7.2364 7.2592 7.2595 7.2596 7.4609 7.4782 7.9698 7.9820 8.1798 8.1882 8.3992 8.4017 k = 0.2564-0.0000 0.2030 ( 16062 PWs) bands (ev): -8.5716 -8.5713 -8.5709 -8.5706 -7.1687 -7.1687 -7.1683 -7.1682 -6.9481 -6.9475 -6.9451 -6.9449 -6.6900 -6.6898 -6.6897 -6.6896 -4.0953 -4.0951 -4.0923 -4.0916 -2.5641 -2.5638 -2.5623 -2.5620 0.2155 0.2182 0.2575 0.2621 0.7453 0.7518 0.8396 0.8460 1.1439 1.1464 1.1510 1.1534 1.6457 1.6465 1.7696 1.7831 2.3681 2.3775 2.5026 2.5556 2.6585 2.6766 2.7704 2.8278 3.1659 3.1677 3.3489 3.3687 3.4435 3.4523 3.4650 3.4652 3.6371 3.6589 3.6824 3.6934 3.9289 3.9589 4.0551 4.0634 4.2244 4.2276 4.3419 4.3428 4.4119 4.4188 4.5337 4.5358 7.0605 7.0710 7.2694 7.2726 7.2731 7.2917 7.4692 7.4861 7.9642 7.9778 8.1974 8.2082 8.4610 8.4667 k = 0.2692-0.0000 0.2030 ( 16066 PWs) bands (ev): -8.5335 -8.5331 -8.5327 -8.5324 -7.1682 -7.1681 -7.1677 -7.1676 -6.9397 -6.9392 -6.9366 -6.9364 -6.6820 -6.6818 -6.6816 -6.6815 -4.0999 -4.0997 -4.0967 -4.0961 -2.6176 -2.6173 -2.6160 -2.6157 0.1973 0.1998 0.2348 0.2390 0.7346 0.7412 0.8234 0.8304 1.1025 1.1052 1.1110 1.1140 1.6062 1.6074 1.7398 1.7539 2.3195 2.3316 2.4710 2.5247 2.6098 2.6300 2.7316 2.7890 3.1566 3.1589 3.3508 3.3678 3.4508 3.4533 3.4623 3.4731 3.6510 3.6725 3.6933 3.7070 3.9212 3.9540 4.0512 4.0592 4.2093 4.2155 4.3057 4.3094 4.4216 4.4269 4.5332 4.5347 7.0741 7.0844 7.2850 7.2858 7.2991 7.3212 7.4707 7.4877 7.9541 7.9692 8.2077 8.2202 8.4900 8.5020 k = 0.2821-0.0000 0.2030 ( 16058 PWs) bands (ev): -8.4939 -8.4935 -8.4930 -8.4928 -7.1711 -7.1710 -7.1705 -7.1704 -6.9298 -6.9293 -6.9265 -6.9264 -6.6744 -6.6741 -6.6739 -6.6738 -4.1025 -4.1023 -4.0992 -4.0985 -2.6731 -2.6729 -2.6718 -2.6715 0.1817 0.1842 0.2149 0.2188 0.7192 0.7259 0.8003 0.8073 1.0702 1.0729 1.0770 1.0806 1.5695 1.5710 1.7116 1.7263 2.2752 2.2897 2.4389 2.4930 2.5603 2.5824 2.6915 2.7487 3.1478 3.1510 3.3473 3.3610 3.4502 3.4605 3.4654 3.4829 3.6637 3.6849 3.6998 3.7171 3.9078 3.9435 4.0428 4.0511 4.2022 4.2107 4.2704 4.2766 4.4390 4.4434 4.5373 4.5384 7.0825 7.0926 7.2974 7.2983 7.3238 7.3457 7.4681 7.4852 7.9390 7.9557 8.2106 8.2241 8.4808 8.4952 k = 0.2949-0.0000 0.2030 ( 16054 PWs) bands (ev): -8.4529 -8.4525 -8.4520 -8.4517 -7.1776 -7.1775 -7.1769 -7.1768 -6.9182 -6.9178 -6.9149 -6.9148 -6.6671 -6.6668 -6.6666 -6.6665 -4.1030 -4.1027 -4.0995 -4.0988 -2.7305 -2.7303 -2.7295 -2.7292 0.1686 0.1710 0.1978 0.2014 0.6989 0.7055 0.7700 0.7767 1.0474 1.0494 1.0497 1.0538 1.5357 1.5375 1.6848 1.7000 2.2360 2.2525 2.4074 2.4619 2.5105 2.5341 2.6499 2.7068 3.1391 3.1438 3.3391 3.3495 3.4503 3.4598 3.4785 3.4935 3.6750 3.6959 3.7017 3.7237 3.8894 3.9281 4.0290 4.0384 4.2024 4.2122 4.2394 4.2481 4.4619 4.4659 4.5464 4.5471 7.0855 7.0954 7.3099 7.3110 7.3406 7.3610 7.4664 7.4825 7.9183 7.9364 8.2059 8.2195 8.4579 8.4727 k = 0.3077-0.0000 0.2030 ( 16072 PWs) bands (ev): -8.4106 -8.4102 -8.4097 -8.4094 -7.1878 -7.1876 -7.1870 -7.1870 -6.9052 -6.9048 -6.9019 -6.9018 -6.6603 -6.6601 -6.6598 -6.6597 -4.1010 -4.1007 -4.0973 -4.0966 -2.7895 -2.7893 -2.7888 -2.7885 0.1579 0.1602 0.1833 0.1864 0.6741 0.6806 0.7343 0.7404 1.0283 1.0322 1.0332 1.0339 1.5051 1.5071 1.6593 1.6749 2.2022 2.2204 2.3770 2.4322 2.4609 2.4859 2.6071 2.6641 3.1301 3.1365 3.3265 3.3340 3.4508 3.4599 3.4916 3.5038 3.6848 3.6985 3.7053 3.7259 3.8692 3.9111 4.0096 4.0204 4.2075 4.2154 4.2179 4.2264 4.4888 4.4926 4.5603 4.5608 7.0836 7.0933 7.3225 7.3235 7.3456 7.3620 7.4718 7.4844 7.8918 7.9110 8.1928 8.2057 8.4330 8.4475 k = 0.3205-0.0000 0.2030 ( 16076 PWs) bands (ev): -8.3671 -8.3666 -8.3661 -8.3658 -7.2017 -7.2014 -7.2008 -7.2007 -6.8909 -6.8905 -6.8877 -6.8876 -6.6542 -6.6539 -6.6536 -6.6535 -4.0962 -4.0960 -4.0925 -4.0918 -2.8498 -2.8497 -2.8494 -2.8492 0.1492 0.1515 0.1709 0.1737 0.6458 0.6520 0.6955 0.7008 1.0129 1.0183 1.0223 1.0233 1.4779 1.4801 1.6352 1.6508 2.1740 2.1934 2.3478 2.4038 2.4123 2.4384 2.5642 2.6214 3.1201 3.1284 3.3101 3.3151 3.4516 3.4603 3.5037 3.5131 3.6901 3.6933 3.7131 3.7223 3.8519 3.8961 3.9854 3.9976 4.1993 4.2120 4.2147 4.2255 4.5186 4.5224 4.5787 4.5791 7.0778 7.0872 7.3345 7.3354 7.3376 7.3489 7.4850 7.4932 7.8600 7.8799 8.1711 8.1823 8.4093 8.4234 k = 0.3333-0.0000 0.2030 ( 16064 PWs) bands (ev): -8.3225 -8.3219 -8.3214 -8.3211 -7.2191 -7.2187 -7.2182 -7.2180 -6.8757 -6.8753 -6.8725 -6.8724 -6.6487 -6.6484 -6.6480 -6.6479 -4.0886 -4.0883 -4.0847 -4.0840 -2.9112 -2.9112 -2.9111 -2.9109 0.1422 0.1445 0.1606 0.1629 0.6154 0.6213 0.6556 0.6603 1.0019 1.0077 1.0156 1.0159 1.4544 1.4567 1.6123 1.6277 2.1510 2.1709 2.3194 2.3658 2.3760 2.3927 2.5230 2.5802 3.1086 3.1187 3.2901 3.2930 3.4519 3.4604 3.5140 3.5204 3.6773 3.7007 3.7123 3.7195 3.8409 3.8853 3.9584 3.9718 4.1906 4.2043 4.2225 4.2334 4.5502 4.5542 4.6010 4.6013 7.0690 7.0781 7.3195 7.3269 7.3452 7.3459 7.5014 7.5067 7.8239 7.8444 8.1413 8.1501 8.3879 8.4013 k = 0.3462-0.0000 0.2030 ( 16066 PWs) bands (ev): -8.2767 -8.2762 -8.2757 -8.2753 -7.2400 -7.2394 -7.2391 -7.2388 -6.8598 -6.8595 -6.8567 -6.8566 -6.6439 -6.6436 -6.6432 -6.6431 -4.0778 -4.0776 -4.0739 -4.0732 -2.9738 -2.9735 -2.9734 -2.9734 0.1366 0.1390 0.1517 0.1537 0.5844 0.5897 0.6164 0.6204 0.9945 1.0005 1.0104 1.0106 1.4346 1.4370 1.5907 1.6055 2.1327 2.1522 2.2911 2.3227 2.3473 2.3497 2.4858 2.5419 3.0951 3.1068 3.2669 3.2681 3.4510 3.4594 3.5214 3.5247 3.6625 3.6980 3.7072 3.7247 3.8365 3.8792 3.9312 3.9456 4.1878 4.2019 4.2298 4.2408 4.5829 4.5870 4.6261 4.6266 7.0584 7.0673 7.2955 7.3004 7.3539 7.3543 7.5168 7.5207 7.7856 7.8066 8.1052 8.1115 8.3688 8.3813 k = 0.3590-0.0000 0.2030 ( 16076 PWs) bands (ev): -8.2301 -8.2295 -8.2290 -8.2286 -7.2641 -7.2634 -7.2631 -7.2627 -6.8435 -6.8432 -6.8405 -6.8404 -6.6399 -6.6397 -6.6392 -6.6391 -4.0639 -4.0637 -4.0599 -4.0592 -3.0369 -3.0367 -3.0362 -3.0362 0.1319 0.1344 0.1441 0.1456 0.5539 0.5587 0.5792 0.5825 0.9897 0.9958 1.0059 1.0066 1.4184 1.4208 1.5701 1.5839 2.1184 2.1361 2.2624 2.2846 2.3106 2.3164 2.4545 2.5077 3.0795 3.0925 3.2409 3.2410 3.4479 3.4562 3.5250 3.5252 3.6488 3.6837 3.7130 3.7290 3.8367 3.8769 3.9063 3.9215 4.1891 4.2034 4.2362 4.2473 4.6158 4.6201 4.6532 4.6538 7.0470 7.0557 7.2687 7.2720 7.3599 7.3599 7.5277 7.5314 7.7482 7.7698 8.0656 8.0694 8.3516 8.3632 k = 0.3718-0.0000 0.2030 ( 16092 PWs) bands (ev): -8.1826 -8.1820 -8.1815 -8.1811 -7.2913 -7.2905 -7.2903 -7.2898 -6.8271 -6.8267 -6.8241 -6.8241 -6.6369 -6.6366 -6.6360 -6.6360 -4.0466 -4.0464 -4.0425 -4.0418 -3.1003 -3.1001 -3.0993 -3.0993 0.1279 0.1305 0.1374 0.1384 0.5249 0.5291 0.5446 0.5472 0.9870 0.9931 1.0022 1.0032 1.4053 1.4078 1.5502 1.5626 2.1072 2.1211 2.2330 2.2533 2.2767 2.2831 2.4297 2.4781 3.0617 3.0757 3.2118 3.2129 3.4418 3.4501 3.5212 3.5239 3.6391 3.6728 3.7183 3.7328 3.8395 3.8771 3.8854 3.9012 4.1932 4.2074 4.2418 4.2530 4.6483 4.6527 4.6812 4.6820 7.0359 7.0443 7.2410 7.2434 7.3622 7.3626 7.5301 7.5339 7.7168 7.7384 8.0251 8.0268 8.3359 8.3448 k = 0.3846-0.0000 0.2030 ( 16092 PWs) bands (ev): -8.1344 -8.1338 -8.1332 -8.1328 -7.3214 -7.3205 -7.3204 -7.3198 -6.8107 -6.8104 -6.8079 -6.8078 -6.6347 -6.6344 -6.6338 -6.6337 -4.0259 -4.0257 -4.0218 -4.0211 -3.1637 -3.1635 -3.1624 -3.1623 0.1241 0.1268 0.1314 0.1318 0.4981 0.5017 0.5132 0.5152 0.9861 0.9921 0.9994 1.0007 1.3949 1.3974 1.5305 1.5412 2.0984 2.1060 2.2033 2.2304 2.2487 2.2489 2.4104 2.4531 3.0425 3.0570 3.1815 3.1833 3.4327 3.4411 3.5127 3.5175 3.6348 3.6673 3.7230 3.7365 3.8433 3.8692 3.8788 3.8857 4.1992 4.2132 4.2465 4.2578 4.6798 4.6844 4.7090 4.7101 7.0258 7.0340 7.2138 7.2157 7.3607 7.3617 7.5201 7.5231 7.6971 7.7177 7.9857 7.9860 8.3216 8.3285 k = 0.3974-0.0000 0.2030 ( 16080 PWs) bands (ev): -8.0856 -8.0849 -8.0844 -8.0840 -7.3542 -7.3532 -7.3532 -7.3525 -6.7947 -6.7943 -6.7920 -6.7919 -6.6335 -6.6332 -6.6326 -6.6325 -4.0018 -4.0016 -3.9977 -3.9970 -3.2267 -3.2266 -3.2252 -3.2250 0.1203 0.1232 0.1255 0.1257 0.4739 0.4770 0.4854 0.4869 0.9869 0.9927 0.9978 0.9991 1.3864 1.3888 1.5105 1.5194 2.0907 2.0913 2.1743 2.2149 2.2163 2.2280 2.3949 2.4319 3.0227 3.0372 3.1505 3.1530 3.4212 3.4298 3.5000 3.5063 3.6359 3.6671 3.7271 3.7405 3.8474 3.8578 3.8752 3.8812 4.2062 4.2200 4.2505 4.2619 4.7098 4.7145 4.7359 4.7373 7.0175 7.0256 7.1880 7.1897 7.3555 7.3570 7.4967 7.4981 7.6910 7.7094 7.9477 7.9496 8.3083 8.3139 k = 0.4103-0.0000 0.2030 ( 16082 PWs) bands (ev): -8.0363 -8.0356 -8.0351 -8.0346 -7.3895 -7.3885 -7.3885 -7.3878 -6.7792 -6.7788 -6.7766 -6.7766 -6.6332 -6.6330 -6.6323 -6.6322 -3.9743 -3.9741 -3.9702 -3.9695 -3.2893 -3.2891 -3.2874 -3.2872 0.1163 0.1194 0.1195 0.1203 0.4528 0.4552 0.4614 0.4623 0.9892 0.9947 0.9976 0.9989 1.3791 1.3815 1.4898 1.4969 2.0764 2.0856 2.1469 2.1837 2.2099 2.2143 2.3813 2.4132 3.0033 3.0174 3.1197 3.1226 3.4089 3.4176 3.4841 3.4912 3.6413 3.6715 3.7304 3.7445 3.8505 3.8511 3.8692 3.8837 4.2138 4.2273 4.2539 4.2653 4.7378 4.7426 4.7610 4.7627 7.0117 7.0195 7.1643 7.1660 7.3467 7.3486 7.4637 7.4638 7.6947 7.7108 7.9137 7.9171 8.2961 8.3006 k = 0.4231-0.0000 0.2030 ( 16062 PWs) bands (ev): -7.9866 -7.9860 -7.9854 -7.9849 -7.4272 -7.4262 -7.4261 -7.4254 -6.7644 -6.7641 -6.7620 -6.7620 -6.6339 -6.6337 -6.6329 -6.6328 -3.9434 -3.9432 -3.9393 -3.9387 -3.3509 -3.3508 -3.3488 -3.3486 0.1121 0.1138 0.1151 0.1155 0.4347 0.4365 0.4411 0.4415 0.9930 0.9982 0.9991 1.0003 1.3724 1.3748 1.4683 1.4737 2.0645 2.0814 2.1224 2.1561 2.2072 2.2096 2.3681 2.3957 2.9856 2.9990 3.0896 3.0929 3.3971 3.4057 3.4661 3.4736 3.6499 3.6791 3.7326 3.7483 3.8465 3.8543 3.8668 3.8858 4.2215 4.2347 4.2566 4.2681 4.7634 4.7683 4.7838 4.7858 7.0087 7.0163 7.1431 7.1448 7.3349 7.3373 7.4256 7.4267 7.7035 7.7177 7.8841 7.8888 8.2851 8.2887 k = 0.4359-0.0000 0.2030 ( 16066 PWs) bands (ev): -7.9368 -7.9361 -7.9356 -7.9351 -7.4670 -7.4660 -7.4658 -7.4651 -6.7506 -6.7503 -6.7485 -6.7484 -6.6354 -6.6352 -6.6344 -6.6343 -3.9092 -3.9091 -3.9052 -3.9045 -3.4115 -3.4114 -3.4091 -3.4088 0.1079 0.1085 0.1104 0.1114 0.4197 0.4209 0.4243 0.4244 0.9980 1.0021 1.0027 1.0031 1.3663 1.3685 1.4464 1.4503 2.0557 2.0787 2.1013 2.1331 2.2062 2.2139 2.3542 2.3784 2.9707 2.9831 3.0611 3.0648 3.3867 3.3952 3.4475 3.4550 3.6603 3.6888 3.7335 3.7512 3.8449 3.8566 3.8671 3.8874 4.2289 4.2419 4.2585 4.2701 4.7861 4.7910 4.8036 4.8060 7.0088 7.0163 7.1242 7.1263 7.3212 7.3240 7.3881 7.3894 7.7145 7.7274 7.8588 7.8645 8.2754 8.2782 k = 0.4487-0.0000 0.2030 ( 16074 PWs) bands (ev): -7.8870 -7.8862 -7.8857 -7.8852 -7.5087 -7.5078 -7.5075 -7.5068 -6.7381 -6.7378 -6.7362 -6.7361 -6.6377 -6.6375 -6.6367 -6.6366 -3.8718 -3.8717 -3.8678 -3.8673 -3.4706 -3.4705 -3.4681 -3.4677 0.1038 0.1038 0.1061 0.1075 0.4078 0.4084 0.4107 0.4111 1.0037 1.0064 1.0071 1.0079 1.3607 1.3628 1.4247 1.4273 2.0501 2.0773 2.0843 2.1148 2.2104 2.2220 2.3390 2.3606 2.9596 2.9709 3.0348 3.0389 3.3787 3.3869 3.4294 3.4368 3.6715 3.6994 3.7328 3.7527 3.8452 3.8580 3.8692 3.8883 4.2359 4.2487 4.2597 4.2714 4.8056 4.8105 4.8200 4.8228 7.0122 7.0194 7.1076 7.1101 7.3070 7.3099 7.3536 7.3548 7.7264 7.7382 7.8373 7.8439 8.2672 8.2693 k = 0.4615-0.0000 0.2030 ( 16072 PWs) bands (ev): -7.8373 -7.8365 -7.8360 -7.8355 -7.5521 -7.5512 -7.5509 -7.5502 -6.7273 -6.7269 -6.7256 -6.7255 -6.6403 -6.6402 -6.6394 -6.6394 -3.8314 -3.8313 -3.8276 -3.8270 -3.5280 -3.5280 -3.5253 -3.5249 0.0999 0.1002 0.1026 0.1039 0.3987 0.3989 0.4004 0.4010 1.0095 1.0114 1.0116 1.0132 1.3565 1.3584 1.4042 1.4058 2.0472 2.0711 2.0771 2.1011 2.2192 2.2333 2.3221 2.3418 2.9530 2.9630 3.0112 3.0158 3.3735 3.3814 3.4127 3.4199 3.6830 3.7103 3.7304 3.7523 3.8468 3.8585 3.8724 3.8883 4.2421 4.2547 4.2601 4.2719 4.8217 4.8263 4.8327 4.8358 7.0186 7.0256 7.0926 7.0958 7.2938 7.2967 7.3243 7.3249 7.7385 7.7495 7.8189 7.8263 8.2606 8.2621 k = 0.4744-0.0000 0.2030 ( 16046 PWs) bands (ev): -7.7879 -7.7871 -7.7866 -7.7861 -7.5970 -7.5961 -7.5958 -7.5951 -6.7185 -6.7182 -6.7173 -6.7171 -6.6430 -6.6429 -6.6423 -6.6422 -3.7882 -3.7882 -3.7846 -3.7841 -3.5833 -3.5833 -3.5804 -3.5799 0.0969 0.0973 0.1000 0.1011 0.3922 0.3924 0.3931 0.3939 1.0146 1.0158 1.0161 1.0177 1.3545 1.3560 1.3863 1.3870 2.0466 2.0614 2.0776 2.0915 2.2319 2.2475 2.3038 2.3222 2.9512 2.9600 2.9910 2.9961 3.3715 3.3792 3.3982 3.4054 3.6940 3.7208 3.7263 3.7498 3.8491 3.8579 3.8761 3.8873 4.2476 4.2596 4.2600 4.2714 4.8339 4.8384 4.8414 4.8448 7.0278 7.0345 7.0787 7.0826 7.2833 7.2861 7.3015 7.3017 7.7507 7.7610 7.8029 7.8110 8.2558 8.2567 k = 0.4872-0.0000 0.2030 ( 16020 PWs) bands (ev): -7.7391 -7.7383 -7.7378 -7.7373 -7.6432 -7.6423 -7.6419 -7.6413 -6.7126 -6.7123 -6.7119 -6.7117 -6.6449 -6.6449 -6.6445 -6.6445 -3.7434 -3.7434 -3.7400 -3.7396 -3.6355 -3.6353 -3.6325 -3.6319 0.0951 0.0953 0.0985 0.0991 0.3884 0.3888 0.3888 0.3895 1.0182 1.0187 1.0197 1.0206 1.3558 1.3570 1.3720 1.3720 2.0476 2.0547 2.0789 2.0851 2.2478 2.2641 2.2847 2.3022 2.9543 2.9620 2.9745 2.9803 3.3730 3.3805 3.3865 3.3937 3.7041 3.7205 3.7304 3.7451 3.8518 3.8565 3.8797 3.8855 4.2521 4.2581 4.2643 4.2700 4.8421 4.8459 4.8464 4.8496 7.0391 7.0453 7.0651 7.0699 7.2775 7.2799 7.2857 7.2867 7.7629 7.7727 7.7886 7.7973 8.2530 8.2534 k = 0.5000-0.0000 0.2030 ( 16028 PWs) bands (ev): -7.6941 -7.6941 -7.6938 -7.6938 -7.6860 -7.6860 -7.6849 -7.6849 -6.7103 -6.7103 -6.7100 -6.7100 -6.6456 -6.6456 -6.6455 -6.6455 -3.7084 -3.7084 -3.7083 -3.7083 -3.6698 -3.6698 -3.6692 -3.6692 0.0946 0.0946 0.0982 0.0982 0.3872 0.3872 0.3879 0.3879 1.0196 1.0196 1.0213 1.0213 1.3615 1.3615 1.3622 1.3622 2.0502 2.0502 2.0812 2.0812 2.2657 2.2657 2.2826 2.2826 2.9621 2.9621 2.9688 2.9688 3.3781 3.3781 3.3853 3.3853 3.7130 3.7130 3.7386 3.7386 3.8544 3.8544 3.8829 3.8829 4.2556 4.2556 4.2677 4.2677 4.8461 4.8461 4.8502 4.8502 7.0518 7.0518 7.0574 7.0574 7.2779 7.2779 7.2797 7.2797 7.7754 7.7754 7.7847 7.7847 8.2522 8.2522 k = 0.5000-0.0000 0.2030 ( 16028 PWs) bands (ev): -7.6941 -7.6941 -7.6938 -7.6938 -7.6860 -7.6860 -7.6849 -7.6849 -6.7103 -6.7103 -6.7100 -6.7100 -6.6456 -6.6456 -6.6455 -6.6455 -3.7084 -3.7084 -3.7083 -3.7083 -3.6698 -3.6698 -3.6692 -3.6692 0.0946 0.0946 0.0982 0.0982 0.3872 0.3872 0.3879 0.3879 1.0196 1.0196 1.0213 1.0213 1.3615 1.3615 1.3622 1.3622 2.0502 2.0502 2.0812 2.0812 2.2657 2.2657 2.2826 2.2826 2.9621 2.9621 2.9688 2.9688 3.3781 3.3781 3.3853 3.3853 3.7130 3.7130 3.7386 3.7386 3.8544 3.8544 3.8829 3.8829 4.2556 4.2556 4.2677 4.2677 4.8461 4.8461 4.8502 4.8502 7.0518 7.0518 7.0574 7.0574 7.2779 7.2779 7.2797 7.2797 7.7754 7.7754 7.7847 7.7847 8.2522 8.2522 k = 0.5000 0.0127 0.2030 ( 16036 PWs) bands (ev): -7.6940 -7.6940 -7.6938 -7.6938 -7.6860 -7.6860 -7.6849 -7.6849 -6.7102 -6.7102 -6.7099 -6.7099 -6.6457 -6.6457 -6.6457 -6.6457 -3.7083 -3.7083 -3.7082 -3.7082 -3.6698 -3.6698 -3.6692 -3.6692 0.0948 0.0948 0.0984 0.0984 0.3863 0.3863 0.3871 0.3871 1.0207 1.0207 1.0225 1.0225 1.3622 1.3622 1.3629 1.3629 2.0508 2.0508 2.0822 2.0822 2.2670 2.2670 2.2848 2.2848 2.9595 2.9595 2.9666 2.9666 3.3748 3.3748 3.3819 3.3819 3.7134 3.7134 3.7389 3.7389 3.8545 3.8545 3.8837 3.8837 4.2554 4.2554 4.2677 4.2677 4.8441 4.8441 4.8484 4.8484 7.0522 7.0522 7.0579 7.0579 7.2780 7.2780 7.2803 7.2803 7.7797 7.7797 7.7890 7.7890 8.2526 8.2526 k = 0.5000 0.0254 0.2030 ( 16056 PWs) bands (ev): -7.6939 -7.6939 -7.6936 -7.6936 -7.6859 -7.6859 -7.6848 -7.6848 -6.7101 -6.7101 -6.7098 -6.7098 -6.6463 -6.6463 -6.6463 -6.6463 -3.7081 -3.7081 -3.7079 -3.7079 -3.6699 -3.6699 -3.6693 -3.6693 0.0953 0.0953 0.0989 0.0989 0.3839 0.3839 0.3849 0.3849 1.0238 1.0238 1.0261 1.0261 1.3643 1.3643 1.3651 1.3651 2.0524 2.0524 2.0850 2.0850 2.2710 2.2710 2.2912 2.2912 2.9520 2.9520 2.9599 2.9599 3.3653 3.3653 3.3722 3.3722 3.7144 3.7144 3.7394 3.7394 3.8547 3.8547 3.8857 3.8857 4.2550 4.2550 4.2678 4.2678 4.8380 4.8380 4.8432 4.8432 7.0536 7.0536 7.0597 7.0597 7.2788 7.2788 7.2820 7.2820 7.7923 7.7923 7.8017 7.8017 8.2537 8.2537 k = 0.5000 0.0381 0.2030 ( 16060 PWs) bands (ev): -7.6937 -7.6937 -7.6934 -7.6934 -7.6858 -7.6858 -7.6846 -7.6846 -6.7100 -6.7100 -6.7097 -6.7097 -6.6472 -6.6472 -6.6472 -6.6472 -3.7077 -3.7077 -3.7074 -3.7074 -3.6701 -3.6701 -3.6695 -3.6695 0.0962 0.0962 0.0999 0.0999 0.3798 0.3798 0.3812 0.3812 1.0291 1.0291 1.0320 1.0320 1.3679 1.3679 1.3688 1.3688 2.0550 2.0550 2.0893 2.0893 2.2777 2.2777 2.3010 2.3010 2.9400 2.9400 2.9492 2.9492 3.3507 3.3507 3.3575 3.3575 3.7151 3.7151 3.7395 3.7395 3.8549 3.8549 3.8887 3.8887 4.2543 4.2543 4.2679 4.2679 4.8281 4.8281 4.8345 4.8345 7.0561 7.0561 7.0627 7.0627 7.2805 7.2805 7.2847 7.2847 7.8130 7.8130 7.8226 7.8226 8.2554 8.2554 k = 0.5000 0.0508 0.2030 ( 16056 PWs) bands (ev): -7.6934 -7.6934 -7.6931 -7.6931 -7.6856 -7.6856 -7.6845 -7.6845 -6.7097 -6.7097 -6.7094 -6.7094 -6.6484 -6.6484 -6.6484 -6.6484 -3.7072 -3.7072 -3.7067 -3.7067 -3.6704 -3.6704 -3.6697 -3.6697 0.0974 0.0974 0.1012 0.1012 0.3742 0.3742 0.3760 0.3760 1.0367 1.0367 1.0403 1.0403 1.3730 1.3730 1.3740 1.3740 2.0583 2.0583 2.0943 2.0943 2.2868 2.2868 2.3135 2.3135 2.9245 2.9245 2.9352 2.9352 3.3325 3.3325 3.3393 3.3393 3.7146 3.7146 3.7384 3.7384 3.8552 3.8552 3.8919 3.8919 4.2532 4.2532 4.2679 4.2679 4.8147 4.8147 4.8224 4.8224 7.0600 7.0600 7.0673 7.0673 7.2834 7.2834 7.2885 7.2885 7.8412 7.8412 7.8510 7.8510 8.2573 8.2573 k = 0.5000 0.0635 0.2030 ( 16044 PWs) bands (ev): -7.6930 -7.6930 -7.6927 -7.6927 -7.6853 -7.6853 -7.6842 -7.6842 -6.7093 -6.7093 -6.7090 -6.7090 -6.6500 -6.6500 -6.6500 -6.6500 -3.7064 -3.7064 -3.7059 -3.7059 -3.6707 -3.6707 -3.6700 -3.6700 0.0991 0.0991 0.1029 0.1029 0.3672 0.3672 0.3693 0.3693 1.0466 1.0466 1.0509 1.0509 1.3796 1.3796 1.3809 1.3809 2.0619 2.0619 2.0994 2.0994 2.2979 2.2979 2.3275 2.3275 2.9066 2.9066 2.9190 2.9190 3.3123 3.3123 3.3193 3.3193 3.7123 3.7123 3.7354 3.7354 3.8550 3.8550 3.8946 3.8946 4.2518 4.2518 4.2678 4.2678 4.7980 4.7980 4.8070 4.8070 7.0656 7.0656 7.0735 7.0735 7.2879 7.2879 7.2937 7.2937 7.8761 7.8761 7.8863 7.8863 8.2593 8.2593 k = 0.5000 0.0762 0.2030 ( 16040 PWs) bands (ev): -7.6926 -7.6926 -7.6923 -7.6923 -7.6850 -7.6850 -7.6840 -7.6840 -6.7089 -6.7089 -6.7086 -6.7086 -6.6519 -6.6519 -6.6518 -6.6518 -3.7055 -3.7055 -3.7049 -3.7049 -3.6712 -3.6712 -3.6704 -3.6704 0.1011 0.1011 0.1050 0.1050 0.3588 0.3588 0.3612 0.3612 1.0588 1.0588 1.0639 1.0639 1.3878 1.3878 1.3893 1.3893 2.0653 2.0653 2.1036 2.1036 2.3099 2.3099 2.3420 2.3420 2.8880 2.8880 2.9019 2.9019 3.2915 3.2915 3.2990 3.2990 3.7079 3.7079 3.7299 3.7299 3.8538 3.8538 3.8959 3.8959 4.2502 4.2502 4.2678 4.2678 4.7782 4.7782 4.7885 4.7885 7.0730 7.0730 7.0815 7.0815 7.2942 7.2942 7.3005 7.3005 7.9166 7.9166 7.9272 7.9272 8.2616 8.2616 k = 0.5000 0.0889 0.2030 ( 16044 PWs) bands (ev): -7.6921 -7.6921 -7.6918 -7.6918 -7.6847 -7.6847 -7.6837 -7.6837 -6.7083 -6.7083 -6.7080 -6.7080 -6.6540 -6.6540 -6.6539 -6.6539 -3.7045 -3.7045 -3.7038 -3.7038 -3.6717 -3.6717 -3.6708 -3.6708 0.1037 0.1037 0.1076 0.1076 0.3491 0.3491 0.3518 0.3518 1.0734 1.0734 1.0792 1.0792 1.3974 1.3974 1.3992 1.3992 2.0680 2.0680 2.1064 2.1064 2.3215 2.3215 2.3552 2.3552 2.8706 2.8706 2.8857 2.8857 3.2716 3.2716 3.2796 3.2796 3.7011 3.7011 3.7218 3.7218 3.8509 3.8509 3.8952 3.8952 4.2488 4.2488 4.2678 4.2678 4.7558 4.7558 4.7673 4.7673 7.0825 7.0825 7.0914 7.0914 7.3025 7.3025 7.3091 7.3091 7.9610 7.9610 7.9724 7.9724 8.2647 8.2647 k = 0.5000 0.1015 0.2030 ( 16036 PWs) bands (ev): -7.6915 -7.6915 -7.6912 -7.6912 -7.6844 -7.6844 -7.6834 -7.6834 -6.7076 -6.7076 -6.7073 -6.7073 -6.6564 -6.6564 -6.6563 -6.6563 -3.7033 -3.7033 -3.7025 -3.7025 -3.6723 -3.6723 -3.6714 -3.6714 0.1067 0.1067 0.1107 0.1107 0.3382 0.3382 0.3412 0.3412 1.0904 1.0904 1.0968 1.0968 1.4083 1.4083 1.4104 1.4104 2.0695 2.0695 2.1072 2.1072 2.3312 2.3312 2.3653 2.3653 2.8568 2.8568 2.8724 2.8724 3.2536 3.2536 3.2622 3.2622 3.6920 3.6920 3.7112 3.7112 3.8457 3.8457 3.8915 3.8915 4.2480 4.2480 4.2684 4.2684 4.7310 4.7310 4.7436 4.7436 7.0940 7.0940 7.1033 7.1033 7.3126 7.3126 7.3194 7.3194 8.0074 8.0074 8.0201 8.0201 8.2697 8.2697 k = 0.5000 0.1142 0.2030 ( 16048 PWs) bands (ev): -7.6910 -7.6910 -7.6907 -7.6907 -7.6840 -7.6840 -7.6831 -7.6831 -6.7068 -6.7068 -6.7065 -6.7065 -6.6589 -6.6589 -6.6589 -6.6589 -3.7020 -3.7020 -3.7011 -3.7011 -3.6730 -3.6730 -3.6720 -3.6720 0.1104 0.1104 0.1144 0.1144 0.3264 0.3264 0.3296 0.3296 1.1096 1.1096 1.1167 1.1167 1.4201 1.4201 1.4226 1.4226 2.0695 2.0695 2.1055 2.1055 2.3370 2.3370 2.3703 2.3703 2.8488 2.8488 2.8643 2.8643 3.2380 3.2380 3.2476 3.2476 3.6810 3.6810 3.6982 3.6982 3.8376 3.8376 3.8844 3.8844 4.2485 4.2485 4.2700 4.2700 4.7041 4.7041 4.7178 4.7178 7.1075 7.1075 7.1170 7.1170 7.3243 7.3243 7.3311 7.3311 8.0533 8.0533 8.0678 8.0678 8.2785 8.2785 k = 0.5000 0.1269 0.2030 ( 16048 PWs) bands (ev): -7.6904 -7.6904 -7.6901 -7.6901 -7.6836 -7.6836 -7.6827 -7.6827 -6.7059 -6.7059 -6.7056 -6.7056 -6.6617 -6.6617 -6.6616 -6.6616 -3.7006 -3.7006 -3.6996 -3.6996 -3.6738 -3.6738 -3.6727 -3.6727 0.1146 0.1146 0.1187 0.1187 0.3137 0.3137 0.3172 0.3172 1.1310 1.1310 1.1387 1.1387 1.4324 1.4324 1.4352 1.4352 2.0678 2.0678 2.1016 2.1016 2.3375 2.3375 2.3685 2.3685 2.8485 2.8485 2.8631 2.8631 3.2252 3.2252 3.2361 3.2361 3.6683 3.6683 3.6834 3.6834 3.8260 3.8260 3.8732 3.8732 4.2510 4.2510 4.2731 4.2731 4.6755 4.6755 4.6900 4.6900 7.1229 7.1229 7.1324 7.1324 7.3370 7.3370 7.3436 7.3436 8.0963 8.0963 8.1125 8.1125 8.2937 8.2937 k = 0.5000 0.1396 0.2030 ( 16060 PWs) bands (ev): -7.6898 -7.6898 -7.6895 -7.6895 -7.6833 -7.6833 -7.6824 -7.6824 -6.7047 -6.7047 -6.7045 -6.7045 -6.6646 -6.6646 -6.6645 -6.6645 -3.6990 -3.6990 -3.6980 -3.6980 -3.6746 -3.6746 -3.6736 -3.6736 0.1195 0.1195 0.1236 0.1236 0.3005 0.3005 0.3041 0.3041 1.1544 1.1544 1.1625 1.1625 1.4444 1.4444 1.4477 1.4477 2.0649 2.0649 2.0958 2.0958 2.3314 2.3314 2.3591 2.3591 2.8570 2.8570 2.8703 2.8703 3.2152 3.2152 3.2277 3.2277 3.6546 3.6546 3.6673 3.6673 3.8108 3.8108 3.8578 3.8578 4.2559 4.2559 4.2783 4.2783 4.6456 4.6456 4.6608 4.6608 7.1398 7.1398 7.1492 7.1492 7.3498 7.3498 7.3563 7.3563 8.1342 8.1342 8.1511 8.1511 8.3178 8.3178 k = 0.5000 0.1523 0.2030 ( 16072 PWs) bands (ev): -7.6893 -7.6893 -7.6890 -7.6890 -7.6829 -7.6829 -7.6822 -7.6822 -6.7035 -6.7035 -6.7033 -6.7033 -6.6675 -6.6675 -6.6674 -6.6674 -3.6974 -3.6974 -3.6964 -3.6964 -3.6756 -3.6756 -3.6745 -3.6745 0.1250 0.1250 0.1292 0.1292 0.2868 0.2868 0.2905 0.2905 1.1794 1.1794 1.1879 1.1879 1.4553 1.4553 1.4591 1.4591 2.0615 2.0615 2.0890 2.0890 2.3186 2.3186 2.3424 2.3424 2.8739 2.8739 2.8861 2.8861 3.2073 3.2073 3.2217 3.2217 3.6407 3.6407 3.6509 3.6509 3.7920 3.7920 3.8383 3.8383 4.2637 4.2637 4.2859 4.2859 4.6147 4.6147 4.6304 4.6304 7.1578 7.1578 7.1670 7.1670 7.3618 7.3618 7.3680 7.3680 8.1670 8.1670 8.1828 8.1828 8.3507 8.3507 k = 0.5000 0.1650 0.2030 ( 16064 PWs) bands (ev): -7.6888 -7.6888 -7.6885 -7.6885 -7.6826 -7.6826 -7.6819 -7.6819 -6.7021 -6.7021 -6.7018 -6.7018 -6.6705 -6.6705 -6.6704 -6.6704 -3.6958 -3.6958 -3.6947 -3.6947 -3.6767 -3.6767 -3.6756 -3.6756 0.1314 0.1314 0.1355 0.1355 0.2728 0.2728 0.2767 0.2767 1.2057 1.2057 1.2144 1.2144 1.4642 1.4642 1.4686 1.4686 2.0586 2.0586 2.0826 2.0826 2.2999 2.2999 2.3199 2.3199 2.8979 2.8979 2.9097 2.9097 3.2007 3.2007 3.2169 3.2169 3.6277 3.6277 3.6353 3.6353 3.7702 3.7702 3.8151 3.8151 4.2746 4.2746 4.2964 4.2964 4.5832 4.5832 4.5993 4.5993 7.1766 7.1766 7.1853 7.1853 7.3720 7.3720 7.3781 7.3781 8.1965 8.1965 8.2100 8.2100 8.3888 8.3888 k = 0.5000 0.1777 0.2030 ( 16080 PWs) bands (ev): -7.6883 -7.6883 -7.6880 -7.6880 -7.6823 -7.6823 -7.6817 -7.6817 -6.7005 -6.7005 -6.7003 -6.7003 -6.6735 -6.6735 -6.6734 -6.6734 -3.6941 -3.6941 -3.6929 -3.6929 -3.6779 -3.6779 -3.6768 -3.6768 0.1384 0.1384 0.1426 0.1426 0.2589 0.2589 0.2629 0.2629 1.2326 1.2326 1.2414 1.2414 1.4702 1.4702 1.4751 1.4751 2.0576 2.0576 2.0778 2.0778 2.2766 2.2766 2.2931 2.2931 2.9273 2.9273 2.9396 2.9396 3.1938 3.1938 3.2117 3.2117 3.6164 3.6164 3.6226 3.6226 3.7461 3.7461 3.7890 3.7890 4.2886 4.2886 4.3096 4.3096 4.5515 4.5515 4.5679 4.5679 7.1955 7.1955 7.2036 7.2036 7.3798 7.3798 7.3856 7.3856 8.2248 8.2248 8.2358 8.2358 8.4267 8.4267 k = 0.5000 0.1904 0.2030 ( 16068 PWs) bands (ev): -7.6879 -7.6879 -7.6876 -7.6876 -7.6820 -7.6820 -7.6815 -7.6815 -6.6988 -6.6988 -6.6986 -6.6986 -6.6764 -6.6764 -6.6763 -6.6763 -3.6923 -3.6923 -3.6912 -3.6912 -3.6792 -3.6792 -3.6781 -3.6781 0.1462 0.1462 0.1503 0.1503 0.2453 0.2453 0.2493 0.2493 1.2594 1.2594 1.2679 1.2679 1.4726 1.4726 1.4780 1.4780 2.0596 2.0596 2.0761 2.0761 2.2507 2.2507 2.2640 2.2640 2.9604 2.9604 2.9737 2.9737 3.1849 3.1849 3.2041 3.2041 3.6076 3.6076 3.6152 3.6152 3.7206 3.7206 3.7610 3.7610 4.3055 4.3055 4.3258 4.3258 4.5199 4.5199 4.5365 4.5365 7.2137 7.2137 7.2210 7.2210 7.3848 7.3848 7.3901 7.3901 8.2533 8.2533 8.2620 8.2620 8.4595 8.4595 k = 0.5000 0.2031 0.2030 ( 16084 PWs) bands (ev): -7.6875 -7.6875 -7.6873 -7.6873 -7.6818 -7.6818 -7.6814 -7.6814 -6.6969 -6.6969 -6.6968 -6.6968 -6.6792 -6.6792 -6.6791 -6.6791 -3.6906 -3.6906 -3.6894 -3.6894 -3.6806 -3.6806 -3.6794 -3.6794 0.1545 0.1545 0.1585 0.1585 0.2323 0.2323 0.2362 0.2362 1.2848 1.2848 1.2927 1.2927 1.4716 1.4716 1.4770 1.4770 2.0653 2.0653 2.0784 2.0784 2.2240 2.2240 2.2345 2.2345 2.9955 2.9955 3.0101 3.0101 3.1725 3.1725 3.1923 3.1923 3.6029 3.6029 3.6141 3.6141 3.6951 3.6951 3.7324 3.7324 4.3251 4.3251 4.3445 4.3445 4.4889 4.4889 4.5056 4.5056 7.2304 7.2304 7.2365 7.2365 7.3872 7.3872 7.3919 7.3919 8.2817 8.2817 8.2885 8.2885 8.4835 8.4835 k = 0.5000 0.2158 0.2030 ( 16088 PWs) bands (ev): -7.6872 -7.6872 -7.6871 -7.6871 -7.6816 -7.6816 -7.6813 -7.6813 -6.6951 -6.6951 -6.6950 -6.6950 -6.6818 -6.6818 -6.6816 -6.6816 -3.6889 -3.6889 -3.6877 -3.6877 -3.6820 -3.6820 -3.6809 -3.6809 0.1632 0.1632 0.1668 0.1668 0.2204 0.2204 0.2240 0.2240 1.3071 1.3071 1.3135 1.3135 1.4680 1.4680 1.4728 1.4728 2.0746 2.0746 2.0842 2.0842 2.1991 2.1991 2.2070 2.2070 3.0308 3.0308 3.0465 3.0465 3.1557 3.1557 3.1752 3.1752 3.6040 3.6040 3.6193 3.6193 3.6711 3.6711 3.7043 3.7043 4.3471 4.3471 4.3655 4.3655 4.4590 4.4590 4.4756 4.4756 7.2443 7.2443 7.2489 7.2489 7.3878 7.3878 7.3914 7.3914 8.3079 8.3079 8.3128 8.3128 8.4975 8.4975 k = 0.5000 0.2285 0.2030 ( 16092 PWs) bands (ev): -7.6871 -7.6871 -7.6870 -7.6870 -7.6814 -7.6814 -7.6813 -7.6813 -6.6935 -6.6935 -6.6934 -6.6934 -6.6837 -6.6837 -6.6837 -6.6837 -3.6873 -3.6873 -3.6862 -3.6862 -3.6834 -3.6834 -3.6823 -3.6823 0.1713 0.1713 0.1739 0.1739 0.2112 0.2112 0.2138 0.2138 1.3237 1.3237 1.3274 1.3274 1.4645 1.4645 1.4675 1.4675 2.0855 2.0855 2.0910 2.0910 2.1802 2.1802 2.1849 2.1849 3.0641 3.0641 3.0791 3.0791 3.1360 3.1360 3.1531 3.1531 3.6112 3.6112 3.6278 3.6278 3.6527 3.6527 3.6784 3.6784 4.3707 4.3707 4.3871 4.3871 4.4318 4.4318 4.4474 4.4474 7.2541 7.2541 7.2566 7.2566 7.3879 7.3879 7.3898 7.3898 8.3278 8.3278 8.3305 8.3305 8.5037 8.5037 k = 0.5000 0.2412 0.2030 ( 16088 PWs) bands (ev): -7.6870 -7.6870 -7.6870 -7.6870 -7.6814 -7.6814 -7.6814 -7.6814 -6.6928 -6.6928 -6.6928 -6.6928 -6.6846 -6.6846 -6.6846 -6.6846 -3.6859 -3.6859 -3.6859 -3.6859 -3.6836 -3.6836 -3.6836 -3.6836 0.1761 0.1761 0.1761 0.1761 0.2082 0.2082 0.2082 0.2082 1.3312 1.3312 1.3312 1.3312 1.4640 1.4640 1.4640 1.4640 2.0927 2.0927 2.0927 2.0927 2.1742 2.1742 2.1742 2.1742 3.0891 3.0891 3.0891 3.0891 3.1311 3.1311 3.1311 3.1311 3.6229 3.6229 3.6229 3.6229 3.6573 3.6573 3.6573 3.6573 4.3926 4.3926 4.3926 4.3926 4.4242 4.4242 4.4242 4.4242 7.2585 7.2585 7.2585 7.2585 7.3884 7.3884 7.3884 7.3884 8.3363 8.3363 8.3363 8.3363 8.5064 8.5064 k = 0.5000 0.2412 0.2030 ( 16088 PWs) bands (ev): -7.6870 -7.6870 -7.6870 -7.6870 -7.6814 -7.6814 -7.6814 -7.6814 -6.6928 -6.6928 -6.6928 -6.6928 -6.6846 -6.6846 -6.6846 -6.6846 -3.6859 -3.6859 -3.6859 -3.6859 -3.6836 -3.6836 -3.6836 -3.6836 0.1761 0.1761 0.1761 0.1761 0.2082 0.2082 0.2082 0.2082 1.3312 1.3312 1.3312 1.3312 1.4640 1.4640 1.4640 1.4640 2.0927 2.0927 2.0927 2.0927 2.1742 2.1742 2.1742 2.1742 3.0891 3.0891 3.0891 3.0891 3.1311 3.1311 3.1311 3.1311 3.6229 3.6229 3.6229 3.6229 3.6573 3.6573 3.6573 3.6573 4.3926 4.3926 4.3926 4.3926 4.4242 4.4242 4.4242 4.4242 7.2585 7.2585 7.2585 7.2585 7.3884 7.3884 7.3884 7.3884 8.3363 8.3363 8.3363 8.3363 8.5064 8.5064 k = 0.4872 0.2412 0.2030 ( 16080 PWs) bands (ev): -7.7333 -7.7333 -7.7282 -7.7282 -7.6418 -7.6418 -7.6356 -7.6356 -6.7034 -6.7034 -6.6943 -6.6943 -6.6830 -6.6830 -6.6757 -6.6757 -3.7311 -3.7311 -3.7307 -3.7307 -3.6369 -3.6369 -3.6354 -3.6354 0.1600 0.1600 0.1809 0.1809 0.2039 0.2039 0.2279 0.2279 1.3238 1.3238 1.3346 1.3346 1.4628 1.4628 1.4683 1.4683 2.0834 2.0834 2.0861 2.0861 2.1848 2.1848 2.1887 2.1887 3.0663 3.0663 3.0966 3.0966 3.1250 3.1250 3.1542 3.1542 3.6020 3.6020 3.6256 3.6256 3.6543 3.6543 3.6771 3.6771 4.3833 4.3833 4.3951 4.3951 4.4231 4.4231 4.4339 4.4339 7.2467 7.2467 7.2589 7.2589 7.3905 7.3905 7.4015 7.4015 8.3350 8.3350 8.3354 8.3354 8.5056 8.5056 k = 0.4744 0.2412 0.2030 ( 16076 PWs) bands (ev): -7.7805 -7.7805 -7.7760 -7.7760 -7.5981 -7.5981 -7.5912 -7.5912 -6.7149 -6.7149 -6.7048 -6.7048 -6.6744 -6.6744 -6.6678 -6.6678 -3.7747 -3.7747 -3.7741 -3.7741 -3.5863 -3.5863 -3.5843 -3.5843 0.1447 0.1447 0.1667 0.1667 0.2228 0.2228 0.2509 0.2509 1.3129 1.3129 1.3336 1.3336 1.4654 1.4654 1.4755 1.4755 2.0666 2.0666 2.0726 2.0726 2.2121 2.2121 2.2192 2.2192 3.0437 3.0437 3.0777 3.0777 3.1469 3.1469 3.1784 3.1784 3.5796 3.5796 3.6063 3.6063 3.6721 3.6721 3.6973 3.6973 4.3731 4.3731 4.3891 4.3891 4.4324 4.4324 4.4464 4.4464 7.2285 7.2285 7.2483 7.2483 7.4072 7.4072 7.4247 7.4247 8.3314 8.3314 8.3323 8.3323 8.5045 8.5045 k = 0.4615 0.2412 0.2030 ( 16056 PWs) bands (ev): -7.8285 -7.8285 -7.8244 -7.8244 -7.5562 -7.5562 -7.5484 -7.5484 -6.7271 -6.7271 -6.7159 -6.7159 -6.6669 -6.6669 -6.6610 -6.6610 -3.8157 -3.8157 -3.8144 -3.8144 -3.5335 -3.5335 -3.5309 -3.5309 0.1311 0.1311 0.1518 0.1518 0.2463 0.2463 0.2762 0.2762 1.2987 1.2987 1.3277 1.3277 1.4721 1.4721 1.4856 1.4856 2.0511 2.0511 2.0605 2.0605 2.2470 2.2470 2.2567 2.2567 3.0233 3.0233 3.0574 3.0574 3.1712 3.1712 3.2013 3.2013 3.5583 3.5583 3.5861 3.5861 3.6903 3.6903 3.7157 3.7157 4.3640 4.3640 4.3814 4.3814 4.4454 4.4454 4.4599 4.4599 7.2083 7.2083 7.2320 7.2320 7.4334 7.4334 7.4535 7.4535 8.3257 8.3257 8.3270 8.3270 8.5028 8.5028 k = 0.4487 0.2412 0.2030 ( 16048 PWs) bands (ev): -7.8769 -7.8769 -7.8732 -7.8732 -7.5162 -7.5162 -7.5075 -7.5075 -6.7398 -6.7398 -6.7274 -6.7274 -6.6606 -6.6606 -6.6553 -6.6553 -3.8538 -3.8538 -3.8519 -3.8519 -3.4788 -3.4788 -3.4757 -3.4757 0.1193 0.1193 0.1384 0.1384 0.2725 0.2725 0.3036 0.3036 1.2817 1.2817 1.3171 1.3171 1.4834 1.4834 1.4989 1.4989 2.0396 2.0396 2.0525 2.0525 2.2856 2.2856 2.2977 2.2977 3.0058 3.0058 3.0392 3.0392 3.1937 3.1937 3.2212 3.2212 3.5400 3.5400 3.5685 3.5685 3.7066 3.7066 3.7319 3.7319 4.3567 4.3567 4.3746 4.3746 4.4592 4.4592 4.4736 4.4736 7.1881 7.1881 7.2138 7.2138 7.4646 7.4646 7.4856 7.4856 8.3180 8.3180 8.3195 8.3195 8.5004 8.5004 k = 0.4359 0.2412 0.2030 ( 16056 PWs) bands (ev): -7.9256 -7.9256 -7.9223 -7.9223 -7.4785 -7.4785 -7.4688 -7.4688 -6.7529 -6.7529 -6.7392 -6.7392 -6.6555 -6.6555 -6.6507 -6.6507 -3.8889 -3.8889 -3.8863 -3.8863 -3.4223 -3.4223 -3.4188 -3.4188 0.1093 0.1093 0.1267 0.1267 0.3009 0.3009 0.3330 0.3330 1.2622 1.2622 1.3023 1.3023 1.4994 1.4994 1.5157 1.5157 2.0327 2.0327 2.0491 2.0491 2.3262 2.3262 2.3404 2.3404 2.9918 2.9918 3.0240 3.0240 3.2125 3.2125 3.2362 3.2362 3.5267 3.5267 3.5555 3.5555 3.7206 3.7206 3.7457 3.7457 4.3516 4.3516 4.3695 4.3695 4.4730 4.4730 4.4873 4.4873 7.1689 7.1689 7.1957 7.1957 7.4988 7.4988 7.5196 7.5196 8.3084 8.3084 8.3102 8.3102 8.4970 8.4970 k = 0.4231 0.2412 0.2030 ( 16040 PWs) bands (ev): -7.9745 -7.9745 -7.9714 -7.9714 -7.4434 -7.4434 -7.4326 -7.4326 -6.7660 -6.7660 -6.7510 -6.7510 -6.6516 -6.6516 -6.6473 -6.6473 -3.9209 -3.9209 -3.9177 -3.9177 -3.3642 -3.3642 -3.3603 -3.3603 0.1012 0.1012 0.1168 0.1168 0.3315 0.3315 0.3642 0.3642 1.2407 1.2407 1.2840 1.2840 1.5202 1.5202 1.5365 1.5365 2.0304 2.0304 2.0501 2.0501 2.3672 2.3672 2.3836 2.3836 2.9816 2.9816 3.0123 3.0123 3.2259 3.2259 3.2447 3.2447 3.5203 3.5203 3.5489 3.5489 3.7324 3.7324 3.7571 3.7571 4.3487 4.3487 4.3663 4.3663 4.4865 4.4865 4.5007 4.5007 7.1512 7.1512 7.1786 7.1786 7.5347 7.5347 7.5547 7.5547 8.2970 8.2970 8.2991 8.2991 8.4922 8.4922 k = 0.4103 0.2412 0.2030 ( 16036 PWs) bands (ev): -8.0232 -8.0232 -8.0204 -8.0204 -7.4113 -7.4113 -7.3993 -7.3993 -6.7790 -6.7790 -6.7625 -6.7625 -6.6489 -6.6489 -6.6451 -6.6451 -3.9498 -3.9498 -3.9458 -3.9458 -3.3049 -3.3049 -3.3006 -3.3006 0.0950 0.0950 0.1088 0.1088 0.3638 0.3638 0.3970 0.3970 1.2181 1.2181 1.2632 1.2632 1.5459 1.5459 1.5617 1.5617 2.0318 2.0318 2.0548 2.0548 2.4076 2.4076 2.4261 2.4261 2.9757 2.9757 3.0045 3.0045 3.2327 3.2327 3.2461 3.2461 3.5220 3.5220 3.5495 3.5495 3.7425 3.7425 3.7665 3.7665 4.3481 4.3481 4.3651 4.3651 4.4994 4.4994 4.5135 4.5135 7.1350 7.1350 7.1627 7.1627 7.5713 7.5713 7.5902 7.5902 8.2839 8.2839 8.2863 8.2863 8.4858 8.4858 k = 0.3974 0.2412 0.2030 ( 16048 PWs) bands (ev): -8.0717 -8.0717 -8.0692 -8.0692 -7.3825 -7.3825 -7.3692 -7.3692 -6.7916 -6.7916 -6.7735 -6.7735 -6.6475 -6.6475 -6.6440 -6.6440 -3.9754 -3.9754 -3.9708 -3.9708 -3.2444 -3.2444 -3.2398 -3.2398 0.0907 0.0907 0.1028 0.1028 0.3978 0.3978 0.4309 0.4309 1.1953 1.1953 1.2411 1.2411 1.5764 1.5764 1.5914 1.5914 2.0364 2.0364 2.0625 2.0625 2.4462 2.4462 2.4668 2.4668 2.9741 2.9741 3.0007 3.0007 3.2327 3.2327 3.2416 3.2416 3.5312 3.5312 3.5571 3.5571 3.7515 3.7515 3.7747 3.7747 4.3495 4.3495 4.3657 4.3657 4.5114 4.5114 4.5258 4.5258 7.1206 7.1206 7.1483 7.1483 7.6078 7.6078 7.6253 7.6253 8.2690 8.2690 8.2719 8.2719 8.4773 8.4773 k = 0.3846 0.2412 0.2030 ( 16048 PWs) bands (ev): -8.1198 -8.1198 -8.1175 -8.1175 -7.3571 -7.3571 -7.3425 -7.3425 -6.8034 -6.8034 -6.7838 -6.7838 -6.6471 -6.6471 -6.6440 -6.6440 -3.9978 -3.9978 -3.9926 -3.9926 -3.1831 -3.1831 -3.1782 -3.1782 0.0885 0.0885 0.0989 0.0989 0.4328 0.4328 0.4654 0.4654 1.1732 1.1732 1.2188 1.2188 1.6119 1.6119 1.6260 1.6260 2.0432 2.0432 2.0724 2.0724 2.4818 2.4818 2.5047 2.5047 2.9768 2.9768 3.0012 3.0012 3.2266 3.2266 3.2341 3.2341 3.5464 3.5464 3.5702 3.5702 3.7605 3.7605 3.7826 3.7826 4.3528 4.3528 4.3679 4.3679 4.5225 4.5225 4.5374 4.5374 7.1078 7.1078 7.1353 7.1353 7.6436 7.6436 7.6594 7.6594 8.2524 8.2524 8.2561 8.2561 8.4665 8.4665 k = 0.3718 0.2412 0.2030 ( 16048 PWs) bands (ev): -8.1674 -8.1674 -8.1653 -8.1653 -7.3356 -7.3356 -7.3198 -7.3198 -6.8141 -6.8141 -6.7930 -6.7930 -6.6479 -6.6479 -6.6451 -6.6451 -4.0170 -4.0170 -4.0112 -4.0112 -3.1212 -3.1212 -3.1161 -3.1161 0.0884 0.0884 0.0972 0.0972 0.4683 0.4683 0.4998 0.4998 1.1533 1.1533 1.1976 1.1976 1.6521 1.6521 1.6652 1.6652 2.0518 2.0518 2.0838 2.0838 2.5134 2.5134 2.5387 2.5387 2.9833 2.9833 3.0057 3.0057 3.2165 3.2165 3.2262 3.2262 3.5652 3.5652 3.5867 3.5867 3.7707 3.7707 3.7915 3.7915 4.3574 4.3574 4.3714 4.3714 4.5325 4.5325 4.5481 4.5481 7.0967 7.0967 7.1239 7.1239 7.6778 7.6778 7.6915 7.6915 8.2342 8.2342 8.2389 8.2389 8.4530 8.4530 k = 0.3590 0.2412 0.2030 ( 16032 PWs) bands (ev): -8.2143 -8.2143 -8.2124 -8.2124 -7.3182 -7.3182 -7.3011 -7.3011 -6.8235 -6.8235 -6.8010 -6.8010 -6.6498 -6.6498 -6.6473 -6.6473 -4.0331 -4.0331 -4.0267 -4.0267 -3.0589 -3.0589 -3.0537 -3.0537 0.0908 0.0908 0.0979 0.0979 0.5035 0.5035 0.5329 0.5329 1.1369 1.1369 1.1787 1.1787 1.6969 1.6969 1.7092 1.7092 2.0617 2.0617 2.0963 2.0963 2.5399 2.5399 2.5676 2.5676 2.9929 2.9929 3.0141 3.0141 3.2060 3.2060 3.2188 3.2188 3.5855 3.5855 3.6047 3.6047 3.7834 3.7834 3.8027 3.8027 4.3631 4.3631 4.3758 4.3758 4.5414 4.5414 4.5579 4.5579 7.0872 7.0872 7.1139 7.1139 7.7095 7.7095 7.7208 7.7208 8.2142 8.2142 8.2200 8.2200 8.4366 8.4366 k = 0.3462 0.2412 0.2030 ( 16036 PWs) bands (ev): -8.2605 -8.2605 -8.2587 -8.2587 -7.3048 -7.3048 -7.2867 -7.2867 -6.8313 -6.8313 -6.8076 -6.8076 -6.6526 -6.6526 -6.6504 -6.6504 -4.0460 -4.0460 -4.0391 -4.0391 -2.9966 -2.9966 -2.9913 -2.9913 0.0956 0.0956 0.1013 0.1013 0.5373 0.5373 0.5634 0.5634 1.1257 1.1257 1.1637 1.1637 1.7461 1.7461 1.7575 1.7575 2.0728 2.0728 2.1098 2.1098 2.5606 2.5606 2.5908 2.5908 3.0044 3.0044 3.0256 3.0256 3.1977 3.1977 3.2129 3.2129 3.6058 3.6058 3.6229 3.6229 3.7998 3.7998 3.8175 3.8175 4.3693 4.3693 4.3807 4.3807 4.5490 4.5490 4.5667 4.5667 7.0793 7.0793 7.1053 7.1053 7.7377 7.7377 7.7463 7.7463 8.1925 8.1925 8.1996 8.1996 8.4173 8.4173 k = 0.3333 0.2412 0.2030 ( 16028 PWs) bands (ev): -8.3057 -8.3057 -8.3040 -8.3040 -7.2956 -7.2956 -7.2768 -7.2768 -6.8373 -6.8373 -6.8127 -6.8127 -6.6564 -6.6564 -6.6543 -6.6543 -4.0559 -4.0559 -4.0486 -4.0486 -2.9344 -2.9344 -2.9291 -2.9291 0.1031 0.1031 0.1074 0.1074 0.5683 0.5683 0.5899 0.5899 1.1212 1.1212 1.1540 1.1540 1.7991 1.7991 1.8098 1.8098 2.0853 2.0853 2.1242 2.1242 2.5752 2.5752 2.6075 2.6075 3.0163 3.0163 3.0390 3.0390 3.1934 3.1934 3.2099 3.2099 3.6253 3.6253 3.6409 3.6409 3.8206 3.8206 3.8366 3.8366 4.3756 4.3756 4.3860 4.3860 4.5553 4.5553 4.5744 4.5744 7.0729 7.0729 7.0982 7.0982 7.7612 7.7612 7.7669 7.7669 8.1689 8.1689 8.1773 8.1773 8.3949 8.3949 k = 0.3205 0.2412 0.2030 ( 16056 PWs) bands (ev): -8.3499 -8.3499 -8.3484 -8.3484 -7.2903 -7.2903 -7.2711 -7.2711 -6.8415 -6.8415 -6.8164 -6.8164 -6.6610 -6.6610 -6.6592 -6.6592 -4.0630 -4.0630 -4.0553 -4.0553 -2.8727 -2.8727 -2.8674 -2.8674 0.1136 0.1136 0.1166 0.1166 0.5951 0.5951 0.6110 0.6110 1.1252 1.1252 1.1514 1.1514 1.8551 1.8551 1.8654 1.8654 2.0999 2.0999 2.1400 2.1400 2.5836 2.5836 2.6177 2.6177 3.0272 3.0272 3.0526 3.0526 3.1940 3.1940 3.2107 3.2107 3.6446 3.6446 3.6589 3.6589 3.8456 3.8456 3.8601 3.8601 4.3818 4.3818 4.3913 4.3913 4.5604 4.5604 4.5810 4.5810 7.0682 7.0682 7.0926 7.0926 7.7785 7.7785 7.7815 7.7815 8.1434 8.1434 8.1530 8.1530 8.3697 8.3697 k = 0.3077 0.2412 0.2030 ( 16056 PWs) bands (ev): -8.3930 -8.3930 -8.3916 -8.3916 -7.2888 -7.2888 -7.2694 -7.2694 -6.8441 -6.8441 -6.8188 -6.8188 -6.6664 -6.6664 -6.6647 -6.6647 -4.0674 -4.0674 -4.0594 -4.0594 -2.8117 -2.8117 -2.8065 -2.8065 0.1271 0.1271 0.1290 0.1290 0.6159 0.6159 0.6259 0.6259 1.1384 1.1384 1.1573 1.1573 1.9129 1.9129 1.9232 1.9232 2.1175 2.1175 2.1576 2.1576 2.5866 2.5866 2.6219 2.6219 3.0359 3.0359 3.0643 3.0643 3.1997 3.1997 3.2156 3.2156 3.6647 3.6647 3.6778 3.6778 3.8744 3.8744 3.8873 3.8873 4.3875 4.3875 4.3964 4.3964 4.5641 4.5641 4.5865 4.5865 7.0650 7.0650 7.0885 7.0885 7.7875 7.7875 7.7899 7.7899 8.1157 8.1157 8.1262 8.1262 8.3419 8.3419 k = 0.2949 0.2412 0.2030 ( 16052 PWs) bands (ev): -8.4350 -8.4350 -8.4337 -8.4337 -7.2906 -7.2906 -7.2715 -7.2715 -6.8453 -6.8453 -6.8202 -6.8202 -6.6724 -6.6724 -6.6709 -6.6709 -4.0693 -4.0693 -4.0610 -4.0610 -2.7517 -2.7517 -2.7466 -2.7466 0.1439 0.1439 0.1447 0.1447 0.6286 0.6286 0.6358 0.6358 1.1607 1.1607 1.1730 1.1730 1.9702 1.9702 1.9818 1.9818 2.1400 2.1400 2.1783 2.1783 2.5851 2.5851 2.6212 2.6212 3.0413 3.0413 3.0727 3.0727 3.2098 3.2098 3.2246 3.2246 3.6869 3.6869 3.6986 3.6986 3.9059 3.9059 3.9176 3.9176 4.3926 4.3926 4.4014 4.4014 4.5666 4.5666 4.5908 4.5908 7.0634 7.0634 7.0858 7.0858 7.7868 7.7868 7.7914 7.7914 8.0854 8.0854 8.0965 8.0965 8.3119 8.3119 k = 0.2821 0.2412 0.2030 ( 16036 PWs) bands (ev): -8.4756 -8.4756 -8.4744 -8.4744 -7.2953 -7.2953 -7.2767 -7.2767 -6.8453 -6.8453 -6.8208 -6.8208 -6.6790 -6.6790 -6.6776 -6.6776 -4.0689 -4.0689 -4.0604 -4.0604 -2.6930 -2.6930 -2.6880 -2.6880 0.1639 0.1639 0.1643 0.1643 0.6317 0.6317 0.6425 0.6425 1.1902 1.1902 1.1994 1.1994 2.0231 2.0231 2.0395 2.0395 2.1700 2.1700 2.2037 2.2037 2.5806 2.5806 2.6173 2.6173 3.0431 3.0431 3.0770 3.0770 3.2228 3.2228 3.2372 3.2372 3.7121 3.7121 3.7221 3.7221 3.9392 3.9392 3.9499 3.9499 4.3968 4.3968 4.4060 4.4060 4.5681 4.5681 4.5942 4.5942 7.0633 7.0633 7.0847 7.0847 7.7770 7.7770 7.7839 7.7839 8.0520 8.0520 8.0632 8.0632 8.2800 8.2800 k = 0.2692 0.2412 0.2030 ( 16048 PWs) bands (ev): -8.5149 -8.5149 -8.5138 -8.5138 -7.3025 -7.3025 -7.2846 -7.2846 -6.8446 -6.8446 -6.8208 -6.8208 -6.6861 -6.6861 -6.6848 -6.6848 -4.0664 -4.0664 -4.0578 -4.0578 -2.6358 -2.6358 -2.6310 -2.6310 0.1869 0.1869 0.1880 0.1880 0.6286 0.6286 0.6445 0.6445 1.2249 1.2249 1.2363 1.2363 2.0676 2.0676 2.0931 2.0931 2.2093 2.2093 2.2365 2.2365 2.5750 2.5750 2.6123 2.6123 3.0413 3.0413 3.0772 3.0772 3.2373 3.2373 3.2523 3.2523 3.7405 3.7405 3.7487 3.7487 3.9733 3.9733 3.9833 3.9833 4.4003 4.4003 4.4103 4.4103 4.5688 4.5688 4.5967 4.5967 7.0644 7.0644 7.0849 7.0849 7.7583 7.7583 7.7670 7.7670 8.0147 8.0147 8.0260 8.0260 8.2464 8.2464 k = 0.2564 0.2412 0.2030 ( 16044 PWs) bands (ev): -8.5528 -8.5528 -8.5518 -8.5518 -7.3116 -7.3116 -7.2946 -7.2946 -6.8435 -6.8435 -6.8206 -6.8206 -6.6936 -6.6936 -6.6924 -6.6924 -4.0621 -4.0621 -4.0535 -4.0535 -2.5803 -2.5803 -2.5758 -2.5758 0.2136 0.2136 0.2155 0.2155 0.6216 0.6216 0.6420 0.6420 1.2651 1.2651 1.2803 1.2803 2.1036 2.1036 2.1393 2.1393 2.2551 2.2551 2.2785 2.2785 2.5710 2.5710 2.6093 2.6093 3.0360 3.0360 3.0735 3.0735 3.2526 3.2526 3.2690 3.2690 3.7718 3.7718 3.7783 3.7783 4.0072 4.0072 4.0169 4.0169 4.4032 4.4032 4.4143 4.4143 4.5691 4.5691 4.5987 4.5987 7.0666 7.0666 7.0862 7.0862 7.7312 7.7312 7.7410 7.7410 7.9726 7.9726 7.9848 7.9848 8.2111 8.2111 k = 0.2436 0.2412 0.2030 ( 16040 PWs) bands (ev): -8.5892 -8.5892 -8.5882 -8.5882 -7.3223 -7.3223 -7.3062 -7.3062 -6.8421 -6.8421 -6.8203 -6.8203 -6.7014 -6.7014 -6.7003 -6.7003 -4.0563 -4.0563 -4.0477 -4.0477 -2.5269 -2.5269 -2.5227 -2.5227 0.2441 0.2441 0.2467 0.2467 0.6123 0.6123 0.6360 0.6360 1.3102 1.3102 1.3288 1.3288 2.1337 2.1337 2.1772 2.1772 2.3012 2.3012 2.3266 2.3266 2.5728 2.5728 2.6125 2.6125 3.0273 3.0273 3.0664 3.0664 3.2688 3.2688 3.2868 3.2868 3.8048 3.8048 3.8102 3.8102 4.0402 4.0402 4.0496 4.0496 4.4059 4.4059 4.4182 4.4182 4.5695 4.5695 4.6007 4.6007 7.0691 7.0691 7.0882 7.0882 7.6965 7.6965 7.7070 7.7070 7.9256 7.9256 7.9395 7.9395 8.1737 8.1737 k = 0.2308 0.2412 0.2030 ( 16028 PWs) bands (ev): -8.6240 -8.6240 -8.6231 -8.6231 -7.3341 -7.3341 -7.3190 -7.3190 -6.8408 -6.8408 -6.8202 -6.8202 -6.7093 -6.7093 -6.7084 -6.7084 -4.0492 -4.0492 -4.0406 -4.0406 -2.4756 -2.4756 -2.4717 -2.4717 0.2785 0.2785 0.2815 0.2815 0.6019 0.6019 0.6277 0.6277 1.3590 1.3590 1.3801 1.3801 2.1606 2.1606 2.2086 2.2086 2.3406 2.3406 2.3709 2.3709 2.5865 2.5865 2.6275 2.6275 3.0156 3.0156 3.0565 3.0565 3.2863 3.2863 3.3057 3.3057 3.8379 3.8379 3.8433 3.8433 4.0713 4.0713 4.0806 4.0806 4.4087 4.4087 4.4222 4.4222 4.5708 4.5708 4.6031 4.6031 7.0712 7.0712 7.0900 7.0900 7.6557 7.6557 7.6667 7.6667 7.8741 7.8741 7.8906 7.8906 8.1337 8.1337 k = 0.2179 0.2412 0.2030 ( 16036 PWs) bands (ev): -8.6573 -8.6573 -8.6564 -8.6564 -7.3466 -7.3466 -7.3326 -7.3326 -6.8397 -6.8397 -6.8203 -6.8203 -6.7174 -6.7174 -6.7166 -6.7166 -4.0411 -4.0411 -4.0327 -4.0327 -2.4268 -2.4268 -2.4232 -2.4232 0.3164 0.3164 0.3198 0.3198 0.5913 0.5913 0.6182 0.6182 1.4102 1.4102 1.4327 1.4327 2.1852 2.1852 2.2350 2.2350 2.3681 2.3681 2.4033 2.4033 2.6169 2.6169 2.6583 2.6583 3.0017 3.0017 3.0449 3.0449 3.3058 3.3058 3.3263 3.3263 3.8694 3.8694 3.8762 3.8762 4.0996 4.0996 4.1090 4.1090 4.4123 4.4123 4.4268 4.4268 4.5739 4.5739 4.6068 4.6068 7.0716 7.0716 7.0904 7.0904 7.6105 7.6105 7.6222 7.6222 7.8192 7.8192 7.8389 7.8389 8.0904 8.0904 k = 0.2051 0.2412 0.2030 ( 16032 PWs) bands (ev): -8.6888 -8.6888 -8.6881 -8.6881 -7.3596 -7.3596 -7.3466 -7.3466 -6.8389 -6.8389 -6.8207 -6.8207 -6.7256 -6.7256 -6.7248 -6.7248 -4.0322 -4.0322 -4.0239 -4.0239 -2.3805 -2.3805 -2.3772 -2.3772 0.3576 0.3576 0.3612 0.3612 0.5815 0.5815 0.6085 0.6085 1.4626 1.4626 1.4857 1.4857 2.2069 2.2069 2.2559 2.2559 2.3845 2.3845 2.4247 2.4247 2.6612 2.6612 2.7029 2.7029 2.9873 2.9873 3.0337 3.0337 3.3280 3.3280 3.3493 3.3493 3.8981 3.8981 3.9067 3.9067 4.1239 4.1239 4.1339 4.1339 4.4172 4.4172 4.4326 4.4326 4.5796 4.5796 4.6123 4.6123 7.0682 7.0682 7.0873 7.0873 7.5632 7.5632 7.5756 7.5756 7.7623 7.7623 7.7854 7.7854 8.0438 8.0438 k = 0.1923 0.2412 0.2030 ( 16028 PWs) bands (ev): -8.7187 -8.7187 -8.7180 -8.7180 -7.3728 -7.3728 -7.3608 -7.3608 -6.8384 -6.8384 -6.8215 -6.8215 -6.7337 -6.7337 -6.7329 -6.7329 -4.0228 -4.0228 -4.0147 -4.0147 -2.3369 -2.3369 -2.3340 -2.3340 0.4010 0.4010 0.4048 0.4048 0.5742 0.5742 0.5999 0.5999 1.5152 1.5152 1.5381 1.5381 2.2235 2.2235 2.2695 2.2695 2.3963 2.3963 2.4428 2.4428 2.7088 2.7088 2.7521 2.7521 2.9769 2.9769 3.0266 3.0266 3.3539 3.3539 3.3755 3.3755 3.9228 3.9228 3.9333 3.9333 4.1432 4.1432 4.1545 4.1545 4.4243 4.4243 4.4403 4.4403 4.5887 4.5887 4.6202 4.6202 7.0584 7.0584 7.0780 7.0780 7.5163 7.5163 7.5292 7.5292 7.7053 7.7053 7.7318 7.7318 7.9940 7.9940 k = 0.1795 0.2412 0.2030 ( 16024 PWs) bands (ev): -8.7468 -8.7468 -8.7462 -8.7462 -7.3859 -7.3859 -7.3749 -7.3749 -6.8383 -6.8383 -6.8226 -6.8226 -6.7416 -6.7416 -6.7410 -6.7410 -4.0130 -4.0130 -4.0053 -4.0053 -2.2961 -2.2961 -2.2935 -2.2935 0.4434 0.4434 0.4486 0.4486 0.5726 0.5726 0.5947 0.5947 1.5671 1.5671 1.5891 1.5891 2.2323 2.2323 2.2739 2.2739 2.4105 2.4105 2.4644 2.4644 2.7474 2.7474 2.7899 2.7899 2.9812 2.9812 3.0303 3.0303 3.3840 3.3840 3.4055 3.4055 3.9427 3.9427 3.9547 3.9547 4.1569 4.1569 4.1699 4.1699 4.4342 4.4342 4.4506 4.4506 4.6015 4.6015 4.6310 4.6310 7.0394 7.0394 7.0590 7.0590 7.4726 7.4726 7.4850 7.4850 7.6503 7.6503 7.6801 7.6801 7.9420 7.9420 k = 0.1667 0.2412 0.2030 ( 16024 PWs) bands (ev): -8.7732 -8.7732 -8.7726 -8.7726 -7.3988 -7.3988 -7.3887 -7.3887 -6.8386 -6.8386 -6.8241 -6.8241 -6.7493 -6.7493 -6.7487 -6.7487 -4.0031 -4.0031 -3.9958 -3.9958 -2.2582 -2.2582 -2.2560 -2.2560 0.4765 0.4765 0.4876 0.4876 0.5845 0.5845 0.5985 0.5985 1.6175 1.6175 1.6382 1.6382 2.2321 2.2321 2.2694 2.2694 2.4312 2.4312 2.4914 2.4914 2.7665 2.7665 2.8011 2.8011 3.0121 3.0121 3.0519 3.0519 3.4188 3.4188 3.4397 3.4397 3.9573 3.9573 3.9703 3.9703 4.1649 4.1649 4.1798 4.1798 4.4475 4.4475 4.4637 4.4637 4.6178 4.6178 4.6446 4.6446 7.0086 7.0086 7.0274 7.0274 7.4336 7.4336 7.4438 7.4438 7.6002 7.6002 7.6327 7.6327 7.8893 7.8893 k = 0.1538 0.2412 0.2030 ( 16028 PWs) bands (ev): -8.7977 -8.7977 -8.7972 -8.7972 -7.4113 -7.4113 -7.4021 -7.4021 -6.8391 -6.8391 -6.8258 -6.8258 -6.7568 -6.7568 -6.7563 -6.7563 -3.9933 -3.9933 -3.9864 -3.9864 -2.2233 -2.2233 -2.2214 -2.2214 0.4915 0.4915 0.5109 0.5109 0.6180 0.6180 0.6226 0.6226 1.6658 1.6658 1.6848 1.6848 2.2239 2.2239 2.2580 2.2580 2.4580 2.4580 2.5224 2.5224 2.7645 2.7645 2.7885 2.7885 3.0651 3.0651 3.0918 3.0918 3.4580 3.4580 3.4781 3.4781 3.9667 3.9667 3.9804 3.9804 4.1679 4.1679 4.1844 4.1844 4.4641 4.4641 4.4794 4.4794 4.6368 4.6368 4.6607 4.6607 6.9650 6.9650 6.9820 6.9820 7.3981 7.3981 7.4045 7.4045 7.5578 7.5578 7.5916 7.5916 7.8380 7.8380 k = 0.1410 0.2412 0.2030 ( 16032 PWs) bands (ev): -8.8204 -8.8204 -8.8199 -8.8199 -7.4231 -7.4231 -7.4148 -7.4148 -6.8398 -6.8398 -6.8277 -6.8277 -6.7639 -6.7639 -6.7634 -6.7634 -3.9838 -3.9838 -3.9773 -3.9773 -2.1913 -2.1913 -2.1897 -2.1897 0.4935 0.4935 0.5163 0.5163 0.6671 0.6671 0.6701 0.6701 1.7113 1.7113 1.7283 1.7283 2.2099 2.2099 2.2417 2.2417 2.4876 2.4876 2.5537 2.5537 2.7484 2.7484 2.7658 2.7658 3.1275 3.1275 3.1432 3.1432 3.5008 3.5008 3.5199 3.5199 3.9715 3.9715 3.9855 3.9855 4.1675 4.1675 4.1853 4.1853 4.4833 4.4833 4.4973 4.4973 4.6576 4.6576 4.6783 4.6783 6.9095 6.9095 6.9241 6.9241 7.3628 7.3628 7.3657 7.3657 7.5248 7.5248 7.5569 7.5569 7.7912 7.7912 k = 0.1282 0.2412 0.2030 ( 16052 PWs) bands (ev): -8.8412 -8.8412 -8.8408 -8.8408 -7.4343 -7.4343 -7.4269 -7.4269 -6.8408 -6.8408 -6.8298 -6.8298 -6.7706 -6.7706 -6.7702 -6.7702 -3.9746 -3.9746 -3.9686 -3.9686 -2.1624 -2.1624 -2.1610 -2.1610 0.4904 0.4904 0.5133 0.5133 0.7252 0.7252 0.7294 0.7294 1.7534 1.7534 1.7684 1.7684 2.1917 2.1917 2.2218 2.2218 2.5152 2.5152 2.5787 2.5787 2.7283 2.7283 2.7450 2.7450 3.1920 3.1920 3.1995 3.1995 3.5454 3.5454 3.5633 3.5633 3.9721 3.9721 3.9863 3.9863 4.1660 4.1660 4.1848 4.1848 4.5043 4.5043 4.5164 4.5164 4.6787 4.6787 4.6966 4.6966 6.8445 6.8445 6.8566 6.8566 7.3241 7.3241 7.3284 7.3284 7.4987 7.4987 7.5257 7.5257 7.7526 7.7526 k = 0.1154 0.2412 0.2030 ( 16064 PWs) bands (ev): -8.8601 -8.8601 -8.8597 -8.8597 -7.4447 -7.4447 -7.4381 -7.4381 -6.8418 -6.8418 -6.8320 -6.8320 -6.7768 -6.7768 -6.7765 -6.7765 -3.9660 -3.9660 -3.9605 -3.9605 -2.1363 -2.1363 -2.1352 -2.1352 0.4858 0.4858 0.5074 0.5074 0.7891 0.7891 0.7937 0.7937 1.7916 1.7916 1.8045 1.8045 2.1702 2.1702 2.1989 2.1989 2.5327 2.5327 2.5861 2.5861 2.7154 2.7154 2.7397 2.7397 3.2552 3.2552 3.2570 3.2570 3.5891 3.5891 3.6058 3.6058 3.9689 3.9689 3.9831 3.9831 4.1665 4.1665 4.1855 4.1855 4.5260 4.5260 4.5360 4.5360 4.6991 4.6991 4.7144 4.7144 6.7729 6.7729 6.7826 6.7826 7.2847 7.2847 7.2919 7.2919 7.4739 7.4739 7.4934 7.4934 7.7259 7.7259 k = 0.1026 0.2412 0.2030 ( 16060 PWs) bands (ev): -8.8770 -8.8770 -8.8767 -8.8767 -7.4541 -7.4541 -7.4483 -7.4483 -6.8429 -6.8429 -6.8343 -6.8343 -6.7825 -6.7825 -6.7822 -6.7822 -3.9580 -3.9580 -3.9530 -3.9530 -2.1133 -2.1133 -2.1124 -2.1124 0.4810 0.4810 0.5008 0.5008 0.8562 0.8562 0.8609 0.8609 1.8254 1.8254 1.8363 1.8363 2.1461 2.1461 2.1734 2.1734 2.5312 2.5312 2.5705 2.5705 2.7204 2.7204 2.7569 2.7569 3.3124 3.3124 3.3168 3.3168 3.6284 3.6284 3.6441 3.6441 3.9622 3.9622 3.9762 3.9762 4.1723 4.1723 4.1907 4.1907 4.5478 4.5478 4.5555 4.5555 4.7178 4.7178 4.7309 4.7309 6.6976 6.6976 6.7053 6.7053 7.2476 7.2476 7.2570 7.2570 7.4451 7.4451 7.4570 7.4570 7.7120 7.7120 k = 0.0897 0.2412 0.2030 ( 16036 PWs) bands (ev): -8.8920 -8.8920 -8.8917 -8.8917 -7.4626 -7.4626 -7.4576 -7.4576 -6.8440 -6.8440 -6.8364 -6.8364 -6.7877 -6.7877 -6.7874 -6.7874 -3.9507 -3.9507 -3.9463 -3.9463 -2.0931 -2.0931 -2.0924 -2.0924 0.4765 0.4765 0.4942 0.4942 0.9252 0.9252 0.9298 0.9298 1.8541 1.8541 1.8632 1.8632 2.1198 2.1198 2.1453 2.1453 2.5118 2.5118 2.5411 2.5411 2.7442 2.7442 2.7880 2.7880 3.3659 3.3659 3.3747 3.3747 3.6604 3.6604 3.6751 3.6751 3.9525 3.9525 3.9658 3.9658 4.1857 4.1857 4.2025 4.2025 4.5689 4.5689 4.5742 4.5742 4.7341 4.7341 4.7454 4.7454 6.6212 6.6212 6.6272 6.6272 7.2145 7.2145 7.2253 7.2253 7.4109 7.4109 7.4176 7.4176 7.7092 7.7092 k = 0.0769 0.2412 0.2030 ( 16044 PWs) bands (ev): -8.9051 -8.9051 -8.9048 -8.9048 -7.4701 -7.4701 -7.4658 -7.4658 -6.8450 -6.8450 -6.8385 -6.8385 -6.7922 -6.7922 -6.7920 -6.7920 -3.9442 -3.9442 -3.9404 -3.9404 -2.0758 -2.0758 -2.0752 -2.0752 0.4726 0.4726 0.4880 0.4880 0.9946 0.9946 0.9989 0.9989 1.8767 1.8767 1.8845 1.8845 2.0922 2.0922 2.1152 2.1152 2.4842 2.4842 2.5075 2.5075 2.7784 2.7784 2.8239 2.8239 3.4159 3.4159 3.4288 3.4288 3.6829 3.6829 3.6968 3.6968 3.9407 3.9407 3.9529 3.9529 4.2070 4.2070 4.2215 4.2215 4.5888 4.5888 4.5921 4.5921 4.7477 4.7477 4.7576 4.7576 6.5463 6.5463 6.5510 6.5510 7.1865 7.1865 7.1980 7.1980 7.3727 7.3727 7.3784 7.3784 7.7143 7.7143 k = 0.0641 0.2412 0.2030 ( 16028 PWs) bands (ev): -8.9161 -8.9161 -8.9159 -8.9159 -7.4764 -7.4764 -7.4728 -7.4728 -6.8458 -6.8458 -6.8405 -6.8405 -6.7961 -6.7961 -6.7959 -6.7959 -3.9386 -3.9386 -3.9353 -3.9353 -2.0612 -2.0612 -2.0608 -2.0608 0.4694 0.4694 0.4824 0.4824 1.0627 1.0627 1.0667 1.0667 1.8917 1.8917 1.8986 1.8986 2.0651 2.0651 2.0847 2.0847 2.4559 2.4559 2.4749 2.4749 2.8163 2.8163 2.8596 2.8596 3.4616 3.4616 3.4784 3.4784 3.6953 3.6953 3.7087 3.7087 3.9283 3.9283 3.9392 3.9392 4.2338 4.2338 4.2458 4.2458 4.6067 4.6067 4.6090 4.6090 4.7589 4.7589 4.7677 4.7677 6.4757 6.4757 6.4792 6.4792 7.1643 7.1643 7.1759 7.1759 7.3342 7.3342 7.3410 7.3410 7.7238 7.7238 k = 0.0513 0.2412 0.2030 ( 16036 PWs) bands (ev): -8.9252 -8.9252 -8.9250 -8.9250 -7.4816 -7.4816 -7.4787 -7.4787 -6.8465 -6.8465 -6.8422 -6.8422 -6.7994 -6.7994 -6.7992 -6.7992 -3.9338 -3.9338 -3.9312 -3.9312 -2.0494 -2.0494 -2.0491 -2.0491 0.4669 0.4669 0.4775 0.4775 1.1276 1.1276 1.1311 1.1311 1.8966 1.8966 1.9032 1.9032 2.0422 2.0422 2.0573 2.0573 2.4308 2.4308 2.4459 2.4459 2.8538 2.8538 2.8922 2.8922 3.5023 3.5023 3.5225 3.5225 3.6983 3.6983 3.7117 3.7117 3.9172 3.9172 3.9266 3.9266 4.2625 4.2625 4.2720 4.2720 4.6219 4.6219 4.6248 4.6248 4.7680 4.7680 4.7759 4.7759 6.4119 6.4119 6.4146 6.4146 7.1479 7.1479 7.1590 7.1590 7.2990 7.2990 7.3065 7.3065 7.7350 7.7350 k = 0.0385 0.2412 0.2030 ( 16048 PWs) bands (ev): -8.9322 -8.9322 -8.9321 -8.9321 -7.4856 -7.4856 -7.4834 -7.4834 -6.8469 -6.8469 -6.8438 -6.8438 -6.8019 -6.8019 -6.8018 -6.8018 -3.9300 -3.9300 -3.9281 -3.9281 -2.0402 -2.0402 -2.0400 -2.0400 0.4653 0.4653 0.4733 0.4733 1.1861 1.1861 1.1891 1.1891 1.8899 1.8899 1.8964 1.8964 2.0275 2.0275 2.0375 2.0375 2.4108 2.4108 2.4222 2.4222 2.8881 2.8881 2.9193 2.9193 3.5374 3.5374 3.5597 3.5597 3.6940 3.6940 3.7080 3.7080 3.9088 3.9088 3.9162 3.9162 4.2891 4.2891 4.2962 4.2962 4.6346 4.6346 4.6380 4.6380 4.7756 4.7756 4.7823 4.7823 6.3581 6.3581 6.3600 6.3600 7.1373 7.1373 7.1472 7.1472 7.2690 7.2690 7.2765 7.2765 7.7460 7.7460 k = 0.0256 0.2412 0.2030 ( 16048 PWs) bands (ev): -8.9373 -8.9373 -8.9372 -8.9372 -7.4883 -7.4883 -7.4869 -7.4869 -6.8471 -6.8471 -6.8450 -6.8450 -6.8037 -6.8037 -6.8037 -6.8037 -3.9272 -3.9272 -3.9259 -3.9259 -2.0337 -2.0337 -2.0336 -2.0336 0.4645 0.4645 0.4699 0.4699 1.2344 1.2344 1.2366 1.2366 1.8753 1.8753 1.8808 1.8808 2.0212 2.0212 2.0268 2.0268 2.3969 2.3969 2.4045 2.4045 2.9166 2.9166 2.9388 2.9388 3.5665 3.5665 3.5882 3.5882 3.6857 3.6857 3.7000 3.7000 3.9035 3.9035 3.9087 3.9087 4.3104 4.3104 4.3152 4.3152 4.6444 4.6444 4.6475 4.6475 4.7820 4.7820 4.7871 4.7871 6.3170 6.3170 6.3182 6.3182 7.1318 7.1318 7.1396 7.1396 7.2463 7.2463 7.2525 7.2525 7.7553 7.7553 k = 0.0128 0.2412 0.2030 ( 16044 PWs) bands (ev): -8.9403 -8.9403 -8.9402 -8.9402 -7.4899 -7.4899 -7.4892 -7.4892 -6.8471 -6.8471 -6.8460 -6.8460 -6.8048 -6.8048 -6.8048 -6.8048 -3.9254 -3.9254 -3.9247 -3.9247 -2.0298 -2.0298 -2.0298 -2.0298 0.4646 0.4646 0.4673 0.4673 1.2671 1.2671 1.2683 1.2683 1.8616 1.8616 1.8648 1.8648 2.0198 2.0198 2.0223 2.0223 2.3893 2.3893 2.3931 2.3931 2.9372 2.9372 2.9488 2.9488 3.5894 3.5894 3.6043 3.6043 3.6795 3.6795 3.6901 3.6901 3.9011 3.9011 3.9038 3.9038 4.3244 4.3244 4.3268 4.3268 4.6510 4.6510 4.6529 4.6529 4.7869 4.7869 4.7897 4.7897 6.2913 6.2913 6.2919 6.2919 7.1304 7.1304 7.1348 7.1348 7.2325 7.2325 7.2362 7.2362 7.7620 7.7620 k = 0.0000 0.2412 0.2030 ( 16040 PWs) bands (ev): -8.9413 -8.9413 -8.9413 -8.9413 -7.4901 -7.4901 -7.4901 -7.4901 -6.8467 -6.8467 -6.8467 -6.8467 -6.8052 -6.8052 -6.8052 -6.8052 -3.9246 -3.9246 -3.9246 -3.9246 -2.0285 -2.0285 -2.0285 -2.0285 0.4655 0.4655 0.4655 0.4655 1.2792 1.2792 1.2792 1.2792 1.8571 1.8571 1.8571 1.8571 2.0204 2.0204 2.0204 2.0204 2.3880 2.3880 2.3880 2.3880 2.9483 2.9483 2.9483 2.9483 3.6038 3.6038 3.6038 3.6038 3.6814 3.6814 3.6814 3.6814 3.9013 3.9013 3.9013 3.9013 4.3300 4.3300 4.3300 4.3300 4.6540 4.6540 4.6540 4.6540 4.7897 4.7897 4.7897 4.7897 6.2827 6.2827 6.2827 6.2827 7.1318 7.1318 7.1318 7.1318 7.2291 7.2291 7.2291 7.2291 7.7656 7.7656 k = 0.0000 0.2412 0.2030 ( 16040 PWs) bands (ev): -8.9413 -8.9413 -8.9413 -8.9413 -7.4901 -7.4901 -7.4901 -7.4901 -6.8467 -6.8467 -6.8467 -6.8467 -6.8052 -6.8052 -6.8052 -6.8052 -3.9246 -3.9246 -3.9246 -3.9246 -2.0285 -2.0285 -2.0285 -2.0285 0.4655 0.4655 0.4655 0.4655 1.2792 1.2792 1.2792 1.2792 1.8571 1.8571 1.8571 1.8571 2.0204 2.0204 2.0204 2.0204 2.3880 2.3880 2.3880 2.3880 2.9483 2.9483 2.9483 2.9483 3.6038 3.6038 3.6038 3.6038 3.6814 3.6814 3.6814 3.6814 3.9013 3.9013 3.9013 3.9013 4.3300 4.3300 4.3300 4.3300 4.6540 4.6540 4.6540 4.6540 4.7897 4.7897 4.7897 4.7897 6.2827 6.2827 6.2827 6.2827 7.1318 7.1318 7.1318 7.1318 7.2291 7.2291 7.2291 7.2291 7.7656 7.7656 k = 0.0000 0.2285 0.2030 ( 16044 PWs) bands (ev): -8.9414 -8.9414 -8.9414 -8.9414 -7.4892 -7.4892 -7.4892 -7.4892 -6.8476 -6.8476 -6.8475 -6.8475 -6.8051 -6.8051 -6.8051 -6.8051 -3.9248 -3.9248 -3.9247 -3.9247 -2.0287 -2.0287 -2.0286 -2.0286 0.4662 0.4662 0.4664 0.4664 1.2788 1.2788 1.2792 1.2792 1.8569 1.8569 1.8575 1.8575 2.0217 2.0217 2.0221 2.0221 2.3878 2.3878 2.3903 2.3903 2.9480 2.9480 2.9496 2.9496 3.5970 3.5970 3.6032 3.6032 3.6795 3.6795 3.6843 3.6843 3.9001 3.9001 3.9017 3.9017 4.3265 4.3265 4.3315 4.3315 4.6523 4.6523 4.6549 4.6549 4.7888 4.7888 4.7907 4.7907 6.2816 6.2816 6.2832 6.2832 7.1194 7.1194 7.1379 7.1379 7.2218 7.2218 7.2419 7.2419 7.7652 7.7652 k = 0.0000 0.2158 0.2030 ( 16036 PWs) bands (ev): -8.9419 -8.9419 -8.9419 -8.9419 -7.4865 -7.4865 -7.4865 -7.4865 -6.8503 -6.8503 -6.8502 -6.8502 -6.8049 -6.8049 -6.8048 -6.8048 -3.9253 -3.9253 -3.9253 -3.9253 -2.0291 -2.0291 -2.0291 -2.0291 0.4686 0.4686 0.4689 0.4689 1.2781 1.2781 1.2790 1.2790 1.8568 1.8568 1.8580 1.8580 2.0258 2.0258 2.0266 2.0266 2.3896 2.3896 2.3946 2.3946 2.9488 2.9488 2.9520 2.9520 3.5840 3.5840 3.5951 3.5951 3.6786 3.6786 3.6870 3.6870 3.8981 3.8981 3.9011 3.9011 4.3212 4.3212 4.3309 4.3309 4.6499 4.6499 4.6550 4.6550 4.7881 4.7881 4.7918 4.7918 6.2803 6.2803 6.2834 6.2834 7.1042 7.1042 7.1350 7.1350 7.2228 7.2228 7.2567 7.2567 7.7673 7.7673 k = 0.0000 0.2031 0.2030 ( 16046 PWs) bands (ev): -8.9426 -8.9426 -8.9426 -8.9426 -7.4821 -7.4821 -7.4820 -7.4820 -6.8546 -6.8546 -6.8544 -6.8544 -6.8046 -6.8046 -6.8045 -6.8045 -3.9262 -3.9262 -3.9261 -3.9261 -2.0298 -2.0298 -2.0298 -2.0298 0.4724 0.4724 0.4729 0.4729 1.2771 1.2771 1.2785 1.2785 1.8570 1.8570 1.8587 1.8587 2.0326 2.0326 2.0338 2.0338 2.3936 2.3936 2.4009 2.4009 2.9507 2.9507 2.9554 2.9554 3.5664 3.5664 3.5807 3.5807 3.6779 3.6779 3.6883 3.6883 3.8952 3.8952 3.8994 3.8994 4.3141 4.3141 4.3283 4.3283 4.6467 4.6467 4.6541 4.6541 4.7876 4.7876 4.7930 4.7930 6.2788 6.2788 6.2834 6.2834 7.0881 7.0881 7.1250 7.1250 7.2303 7.2303 7.2714 7.2714 7.7715 7.7715 k = 0.0000 0.1904 0.2030 ( 16044 PWs) bands (ev): -8.9436 -8.9436 -8.9435 -8.9435 -7.4759 -7.4759 -7.4758 -7.4758 -6.8604 -6.8604 -6.8603 -6.8603 -6.8043 -6.8043 -6.8041 -6.8041 -3.9274 -3.9274 -3.9273 -3.9273 -2.0308 -2.0308 -2.0307 -2.0307 0.4777 0.4777 0.4783 0.4783 1.2760 1.2760 1.2777 1.2777 1.8575 1.8575 1.8595 1.8595 2.0418 2.0418 2.0433 2.0433 2.3997 2.3997 2.4094 2.4094 2.9535 2.9535 2.9597 2.9597 3.5453 3.5453 3.5617 3.5617 3.6763 3.6763 3.6877 3.6877 3.8912 3.8912 3.8964 3.8964 4.3054 4.3054 4.3235 4.3235 4.6427 4.6427 4.6520 4.6520 4.7873 4.7873 4.7942 4.7942 6.2777 6.2777 6.2836 6.2836 7.0724 7.0724 7.1117 7.1117 7.2405 7.2405 7.2849 7.2849 7.7776 7.7776 k = 0.0000 0.1777 0.2030 ( 16042 PWs) bands (ev): -8.9448 -8.9448 -8.9447 -8.9447 -7.4681 -7.4681 -7.4680 -7.4680 -6.8677 -6.8677 -6.8675 -6.8675 -6.8040 -6.8040 -6.8038 -6.8038 -3.9288 -3.9288 -3.9287 -3.9287 -2.0320 -2.0320 -2.0319 -2.0319 0.4844 0.4844 0.4851 0.4851 1.2746 1.2746 1.2767 1.2767 1.8584 1.8584 1.8607 1.8607 2.0529 2.0529 2.0548 2.0548 2.4080 2.4080 2.4199 2.4199 2.9572 2.9572 2.9650 2.9650 3.5215 3.5215 3.5395 3.5395 3.6731 3.6731 3.6849 3.6849 3.8861 3.8861 3.8919 3.8919 4.2953 4.2953 4.3167 4.3167 4.6378 4.6378 4.6486 4.6486 4.7874 4.7874 4.7956 4.7956 6.2774 6.2774 6.2845 6.2845 7.0577 7.0577 7.0977 7.0977 7.2509 7.2509 7.2966 7.2966 7.7849 7.7849 k = 0.0000 0.1650 0.2030 ( 16022 PWs) bands (ev): -8.9462 -8.9462 -8.9461 -8.9461 -7.4588 -7.4588 -7.4588 -7.4588 -6.8762 -6.8762 -6.8760 -6.8760 -6.8038 -6.8038 -6.8036 -6.8036 -3.9305 -3.9305 -3.9304 -3.9304 -2.0335 -2.0335 -2.0334 -2.0334 0.4922 0.4922 0.4931 0.4931 1.2730 1.2730 1.2754 1.2754 1.8598 1.8598 1.8622 1.8622 2.0654 2.0654 2.0679 2.0679 2.4186 2.4186 2.4327 2.4327 2.9616 2.9616 2.9709 2.9709 3.4959 3.4959 3.5150 3.5150 3.6681 3.6681 3.6800 3.6800 3.8796 3.8796 3.8858 3.8858 4.2840 4.2840 4.3082 4.3082 4.6320 4.6320 4.6438 4.6438 4.7879 4.7879 4.7970 4.7970 6.2784 6.2784 6.2865 6.2865 7.0444 7.0444 7.0844 7.0844 7.2603 7.2603 7.3061 7.3061 7.7928 7.7928 k = 0.0000 0.1523 0.2030 ( 16014 PWs) bands (ev): -8.9477 -8.9477 -8.9477 -8.9477 -7.4482 -7.4482 -7.4481 -7.4481 -6.8859 -6.8859 -6.8857 -6.8857 -6.8037 -6.8037 -6.8035 -6.8035 -3.9323 -3.9323 -3.9322 -3.9322 -2.0351 -2.0351 -2.0350 -2.0350 0.5011 0.5011 0.5021 0.5021 1.2713 1.2713 1.2740 1.2740 1.8616 1.8616 1.8641 1.8641 2.0787 2.0787 2.0818 2.0818 2.4315 2.4315 2.4476 2.4476 2.9667 2.9667 2.9775 2.9775 3.4692 3.4692 3.4891 3.4891 3.6612 3.6612 3.6729 3.6729 3.8715 3.8715 3.8778 3.8778 4.2720 4.2720 4.2982 4.2982 4.6250 4.6250 4.6373 4.6373 4.7888 4.7888 4.7986 4.7986 6.2810 6.2810 6.2900 6.2900 7.0328 7.0328 7.0723 7.0723 7.2682 7.2682 7.3135 7.3135 7.8008 7.8008 k = 0.0000 0.1396 0.2030 ( 16018 PWs) bands (ev): -8.9494 -8.9494 -8.9493 -8.9493 -7.4363 -7.4363 -7.4362 -7.4362 -6.8967 -6.8967 -6.8965 -6.8965 -6.8037 -6.8037 -6.8035 -6.8035 -3.9343 -3.9343 -3.9342 -3.9342 -2.0369 -2.0369 -2.0367 -2.0367 0.5106 0.5106 0.5118 0.5118 1.2696 1.2696 1.2725 1.2725 1.8640 1.8640 1.8666 1.8666 2.0921 2.0921 2.0960 2.0960 2.4468 2.4468 2.4647 2.4647 2.9721 2.9721 2.9844 2.9844 3.4420 3.4420 3.4626 3.4626 3.6526 3.6526 3.6639 3.6639 3.8617 3.8617 3.8680 3.8680 4.2595 4.2595 4.2870 4.2870 4.6170 4.6170 4.6294 4.6294 4.7903 4.7903 4.8003 4.8003 6.2854 6.2854 6.2951 6.2951 7.0228 7.0228 7.0616 7.0616 7.2745 7.2745 7.3188 7.3188 7.8082 7.8082 k = 0.0000 0.1269 0.2030 ( 16018 PWs) bands (ev): -8.9511 -8.9511 -8.9510 -8.9510 -7.4235 -7.4235 -7.4234 -7.4234 -6.9083 -6.9083 -6.9081 -6.9081 -6.8037 -6.8037 -6.8036 -6.8036 -3.9363 -3.9363 -3.9362 -3.9362 -2.0387 -2.0387 -2.0386 -2.0386 0.5208 0.5208 0.5220 0.5220 1.2679 1.2679 1.2708 1.2708 1.8670 1.8670 1.8697 1.8697 2.1052 2.1052 2.1099 2.1099 2.4645 2.4645 2.4841 2.4841 2.9779 2.9779 2.9916 2.9916 3.4151 3.4151 3.4363 3.4363 3.6423 3.6423 3.6531 3.6531 3.8502 3.8502 3.8563 3.8563 4.2471 4.2471 4.2753 4.2753 4.6081 4.6081 4.6202 4.6202 4.7921 4.7921 4.8021 4.8021 6.2919 6.2919 6.3020 6.3020 7.0146 7.0146 7.0525 7.0525 7.2792 7.2792 7.3223 7.3223 7.8146 7.8146 k = 0.0000 0.1142 0.2030 ( 16030 PWs) bands (ev): -8.9528 -8.9528 -8.9528 -8.9528 -7.4099 -7.4099 -7.4098 -7.4098 -6.9206 -6.9206 -6.9204 -6.9204 -6.8039 -6.8039 -6.8037 -6.8037 -3.9384 -3.9384 -3.9382 -3.9382 -2.0407 -2.0407 -2.0405 -2.0405 0.5311 0.5311 0.5325 0.5325 1.2662 1.2662 1.2692 1.2692 1.8706 1.8706 1.8732 1.8732 2.1172 2.1172 2.1227 2.1227 2.4844 2.4844 2.5055 2.5055 2.9839 2.9839 2.9988 2.9988 3.3890 3.3890 3.4107 3.4107 3.6305 3.6305 3.6406 3.6406 3.8371 3.8371 3.8429 3.8429 4.2352 4.2352 4.2633 4.2633 4.5985 4.5985 4.6099 4.6099 4.7944 4.7944 4.8039 4.8039 6.3002 6.3002 6.3105 6.3105 7.0080 7.0080 7.0451 7.0451 7.2824 7.2824 7.3241 7.3241 7.8196 7.8196 k = 0.0000 0.1015 0.2030 ( 16012 PWs) bands (ev): -8.9545 -8.9545 -8.9545 -8.9545 -7.3958 -7.3958 -7.3957 -7.3957 -6.9334 -6.9334 -6.9332 -6.9332 -6.8040 -6.8040 -6.8039 -6.8039 -3.9404 -3.9404 -3.9402 -3.9402 -2.0426 -2.0426 -2.0424 -2.0424 0.5415 0.5415 0.5430 0.5430 1.2646 1.2646 1.2675 1.2675 1.8747 1.8747 1.8773 1.8773 2.1279 2.1279 2.1340 2.1340 2.5062 2.5062 2.5286 2.5286 2.9898 2.9898 3.0058 3.0058 3.3643 3.3643 3.3864 3.3864 3.6175 3.6175 3.6266 3.6266 3.8229 3.8229 3.8282 3.8282 4.2242 4.2242 4.2517 4.2517 4.5886 4.5886 4.5991 4.5991 4.7968 4.7968 4.8058 4.8058 6.3100 6.3100 6.3204 6.3204 7.0029 7.0029 7.0391 7.0391 7.2843 7.2843 7.3247 7.3247 7.8231 7.8231 k = 0.0000 0.0889 0.2030 ( 16022 PWs) bands (ev): -8.9561 -8.9561 -8.9561 -8.9561 -7.3815 -7.3815 -7.3814 -7.3814 -6.9464 -6.9464 -6.9462 -6.9462 -6.8042 -6.8042 -6.8041 -6.8041 -3.9423 -3.9423 -3.9421 -3.9421 -2.0445 -2.0445 -2.0443 -2.0443 0.5515 0.5515 0.5531 0.5531 1.2631 1.2631 1.2659 1.2659 1.8792 1.8792 1.8818 1.8818 2.1368 2.1368 2.1435 2.1435 2.5294 2.5294 2.5529 2.5529 2.9956 2.9956 3.0125 3.0125 3.3416 3.3416 3.3638 3.3638 3.6034 3.6034 3.6115 3.6115 3.8081 3.8081 3.8127 3.8127 4.2144 4.2144 4.2407 4.2407 4.5787 4.5787 4.5881 4.5881 4.7994 4.7994 4.8077 4.8077 6.3209 6.3209 6.3311 6.3311 6.9993 6.9993 7.0344 7.0344 7.2851 7.2851 7.3242 7.3242 7.8253 7.8253 k = 0.0000 0.0762 0.2030 ( 16014 PWs) bands (ev): -8.9576 -8.9576 -8.9576 -8.9576 -7.3674 -7.3674 -7.3673 -7.3673 -6.9593 -6.9593 -6.9591 -6.9591 -6.8045 -6.8045 -6.8044 -6.8044 -3.9440 -3.9440 -3.9438 -3.9438 -2.0462 -2.0462 -2.0461 -2.0461 0.5609 0.5609 0.5625 0.5625 1.2618 1.2618 1.2644 1.2644 1.8840 1.8840 1.8864 1.8864 2.1439 2.1439 2.1511 2.1511 2.5531 2.5531 2.5776 2.5776 3.0013 3.0013 3.0185 3.0185 3.3213 3.3213 3.3433 3.3433 3.5887 3.5887 3.5956 3.5956 3.7934 3.7934 3.7972 3.7972 4.2060 4.2060 4.2307 4.2307 4.5693 4.5693 4.5775 4.5775 4.8019 4.8019 4.8094 4.8094 6.3324 6.3324 6.3421 6.3421 6.9969 6.9969 7.0310 7.0310 7.2850 7.2850 7.3229 7.3229 7.8261 7.8261 k = 0.0000 0.0635 0.2030 ( 16022 PWs) bands (ev): -8.9590 -8.9590 -8.9589 -8.9589 -7.3540 -7.3540 -7.3539 -7.3539 -6.9716 -6.9716 -6.9714 -6.9714 -6.8047 -6.8047 -6.8046 -6.8046 -3.9455 -3.9455 -3.9453 -3.9453 -2.0478 -2.0478 -2.0477 -2.0477 0.5695 0.5695 0.5711 0.5711 1.2606 1.2606 1.2630 1.2630 1.8889 1.8889 1.8911 1.8911 2.1492 2.1492 2.1568 2.1568 2.5763 2.5763 2.6017 2.6017 3.0066 3.0066 3.0238 3.0238 3.3037 3.3037 3.3251 3.3251 3.5739 3.5739 3.5796 3.5796 3.7794 3.7794 3.7826 3.7826 4.1991 4.1991 4.2219 4.2219 4.5607 4.5607 4.5677 4.5677 4.8042 4.8042 4.8109 4.8109 6.3438 6.3438 6.3527 6.3527 6.9956 6.9956 7.0286 7.0286 7.2844 7.2844 7.3211 7.3211 7.8260 7.8260 k = 0.0000 0.0508 0.2030 ( 16014 PWs) bands (ev): -8.9601 -8.9601 -8.9601 -8.9601 -7.3418 -7.3418 -7.3417 -7.3417 -6.9829 -6.9829 -6.9827 -6.9827 -6.8049 -6.8049 -6.8048 -6.8048 -3.9469 -3.9469 -3.9467 -3.9467 -2.0492 -2.0492 -2.0490 -2.0490 0.5768 0.5768 0.5785 0.5785 1.2597 1.2597 1.2618 1.2618 1.8935 1.8935 1.8955 1.8955 2.1529 2.1529 2.1608 2.1608 2.5979 2.5979 2.6241 2.6241 3.0116 3.0116 3.0281 3.0281 3.2894 3.2894 3.3093 3.3093 3.5596 3.5596 3.5642 3.5642 3.7668 3.7668 3.7697 3.7697 4.1937 4.1937 4.2144 4.2144 4.5533 4.5533 4.5590 4.5590 4.8064 4.8064 4.8121 4.8121 6.3543 6.3543 6.3624 6.3624 6.9950 6.9950 7.0271 7.0271 7.2834 7.2834 7.3191 7.3191 7.8252 7.8252 k = 0.0000 0.0381 0.2030 ( 16006 PWs) bands (ev): -8.9610 -8.9610 -8.9610 -8.9610 -7.3313 -7.3313 -7.3313 -7.3313 -6.9926 -6.9926 -6.9924 -6.9924 -6.8050 -6.8050 -6.8049 -6.8049 -3.9479 -3.9479 -3.9477 -3.9477 -2.0503 -2.0503 -2.0502 -2.0502 0.5828 0.5828 0.5846 0.5846 1.2590 1.2590 1.2608 1.2608 1.8977 1.8977 1.8993 1.8993 2.1553 2.1553 2.1634 2.1634 2.6166 2.6166 2.6434 2.6434 3.0162 3.0162 3.0313 3.0313 3.2784 3.2784 3.2961 3.2961 3.5469 3.5469 3.5506 3.5506 3.7563 3.7563 3.7591 3.7591 4.1897 4.1897 4.2085 4.2085 4.5473 4.5473 4.5517 4.5517 4.8082 4.8082 4.8131 4.8131 6.3634 6.3634 6.3706 6.3706 6.9950 6.9950 7.0261 7.0261 7.2822 7.2822 7.3171 7.3171 7.8241 7.8241 k = 0.0000 0.0254 0.2030 ( 16004 PWs) bands (ev): -8.9617 -8.9617 -8.9617 -8.9617 -7.3233 -7.3233 -7.3232 -7.3232 -7.0001 -7.0001 -7.0000 -7.0000 -6.8051 -6.8051 -6.8050 -6.8050 -3.9487 -3.9487 -3.9485 -3.9485 -2.0512 -2.0512 -2.0510 -2.0510 0.5872 0.5872 0.5890 0.5890 1.2586 1.2586 1.2600 1.2600 1.9010 1.9010 1.9022 1.9022 2.1567 2.1567 2.1650 2.1650 2.6310 2.6310 2.6584 2.6584 3.0202 3.0202 3.0334 3.0334 3.2711 3.2711 3.2856 3.2856 3.5370 3.5370 3.5396 3.5396 3.7484 3.7484 3.7513 3.7513 4.1870 4.1870 4.2041 4.2041 4.5431 4.5431 4.5462 4.5462 4.8095 4.8095 4.8137 4.8137 6.3705 6.3705 6.3767 6.3767 6.9953 6.9953 7.0256 7.0256 7.2812 7.2812 7.3155 7.3155 7.8230 7.8230 k = 0.0000 0.0127 0.2030 ( 16008 PWs) bands (ev): -8.9621 -8.9621 -8.9621 -8.9621 -7.3181 -7.3181 -7.3181 -7.3181 -7.0049 -7.0049 -7.0047 -7.0047 -6.8052 -6.8052 -6.8051 -6.8051 -3.9491 -3.9491 -3.9489 -3.9489 -2.0517 -2.0517 -2.0515 -2.0515 0.5899 0.5899 0.5917 0.5917 1.2584 1.2584 1.2595 1.2595 1.9033 1.9033 1.9040 1.9040 2.1574 2.1574 2.1657 2.1657 2.6402 2.6402 2.6679 2.6679 3.0230 3.0230 3.0345 3.0345 3.2673 3.2673 3.2785 3.2785 3.5309 3.5309 3.5323 3.5323 3.7435 3.7435 3.7466 3.7466 4.1855 4.1855 4.2014 4.2014 4.5407 4.5407 4.5426 4.5426 4.8104 4.8104 4.8141 4.8141 6.3750 6.3750 6.3804 6.3804 6.9956 6.9956 7.0253 7.0253 7.2806 7.2806 7.3144 7.3144 7.8223 7.8223 k = 0.0000 0.0000 0.2030 ( 16024 PWs) bands (ev): -8.9623 -8.9623 -8.9622 -8.9622 -7.3164 -7.3164 -7.3163 -7.3163 -7.0065 -7.0065 -7.0064 -7.0064 -6.8052 -6.8052 -6.8052 -6.8052 -3.9493 -3.9493 -3.9491 -3.9491 -2.0518 -2.0518 -2.0517 -2.0517 0.5909 0.5909 0.5926 0.5926 1.2583 1.2583 1.2593 1.2593 1.9041 1.9041 1.9045 1.9045 2.1576 2.1576 2.1660 2.1660 2.6433 2.6433 2.6711 2.6711 3.0241 3.0241 3.0347 3.0347 3.2663 3.2663 3.2758 3.2758 3.5292 3.5292 3.5293 3.5293 3.7418 3.7418 3.7450 3.7450 4.1850 4.1850 4.2005 4.2005 4.5400 4.5400 4.5413 4.5413 4.8107 4.8107 4.8142 4.8142 6.3765 6.3765 6.3817 6.3817 6.9957 6.9957 7.0253 7.0253 7.2803 7.2803 7.3140 7.3140 7.8220 7.8220 k = 0.0000 0.2412-0.0000 ( 16046 PWs) bands (ev): -8.9499 -8.9499 -8.9499 -8.9499 -7.3131 -7.3131 -7.3131 -7.3131 -7.1301 -7.1301 -7.1301 -7.1301 -6.7186 -6.7186 -6.7185 -6.7185 -3.8532 -3.8532 -3.8530 -3.8530 -2.0521 -2.0521 -2.0519 -2.0519 0.3786 0.3786 0.3794 0.3794 1.2377 1.2377 1.2391 1.2391 1.5290 1.5290 1.5338 1.5338 2.4034 2.4034 2.4100 2.4100 2.8768 2.8768 2.8847 2.8847 2.9478 2.9478 2.9672 2.9672 3.2787 3.2787 3.2829 3.2829 3.7201 3.7201 3.7353 3.7353 3.8652 3.8652 3.8835 3.8835 4.1317 4.1317 4.1561 4.1561 4.4376 4.4376 4.4441 4.4441 4.7655 4.7655 4.7683 4.7683 6.7077 6.7077 6.7379 6.7379 7.0394 7.0394 7.0581 7.0581 7.4449 7.4449 7.4569 7.4569 7.7475 7.7475 k = 0.0000 0.2412 0.0127 ( 16030 PWs) bands (ev): -8.9499 -8.9499 -8.9498 -8.9498 -7.3167 -7.3167 -7.3167 -7.3167 -7.1260 -7.1260 -7.1260 -7.1260 -6.7189 -6.7189 -6.7188 -6.7188 -3.8539 -3.8539 -3.8537 -3.8537 -2.0519 -2.0519 -2.0516 -2.0516 0.3794 0.3794 0.3802 0.3802 1.2381 1.2381 1.2396 1.2396 1.5306 1.5306 1.5355 1.5355 2.4003 2.4003 2.4068 2.4068 2.8598 2.8598 2.8845 2.8845 2.9442 2.9442 2.9785 2.9785 3.2805 3.2805 3.2870 3.2870 3.7207 3.7207 3.7361 3.7361 3.8640 3.8640 3.8830 3.8830 4.1353 4.1353 4.1598 4.1598 4.4390 4.4390 4.4458 4.4458 4.7649 4.7649 4.7677 4.7677 6.7026 6.7026 6.7333 6.7333 7.0406 7.0406 7.0610 7.0610 7.4416 7.4416 7.4539 7.4539 7.7481 7.7481 k = 0.0000 0.2412 0.0254 ( 16020 PWs) bands (ev): -8.9496 -8.9496 -8.9496 -8.9496 -7.3264 -7.3264 -7.3264 -7.3264 -7.1147 -7.1147 -7.1147 -7.1147 -6.7199 -6.7199 -6.7198 -6.7198 -3.8560 -3.8560 -3.8557 -3.8557 -2.0512 -2.0512 -2.0509 -2.0509 0.3817 0.3817 0.3825 0.3825 1.2395 1.2395 1.2410 1.2410 1.5356 1.5356 1.5405 1.5405 2.3910 2.3910 2.3974 2.3974 2.8318 2.8318 2.8636 2.8636 2.9494 2.9494 2.9936 2.9936 3.2874 3.2874 3.2974 3.2974 3.7221 3.7221 3.7381 3.7381 3.8612 3.8612 3.8819 3.8819 4.1456 4.1456 4.1702 4.1702 4.4435 4.4435 4.4512 4.4512 4.7630 4.7630 4.7659 4.7659 6.6880 6.6880 6.7196 6.7196 7.0444 7.0444 7.0688 7.0688 7.4320 7.4320 7.4452 7.4452 7.7500 7.7500 k = 0.0000 0.2412 0.0381 ( 16032 PWs) bands (ev): -8.9492 -8.9492 -8.9492 -8.9492 -7.3405 -7.3405 -7.3404 -7.3404 -7.0981 -7.0981 -7.0981 -7.0981 -6.7216 -6.7216 -6.7215 -6.7215 -3.8593 -3.8593 -3.8591 -3.8591 -2.0500 -2.0500 -2.0498 -2.0498 0.3855 0.3855 0.3863 0.3863 1.2416 1.2416 1.2434 1.2434 1.5438 1.5438 1.5489 1.5489 2.3762 2.3762 2.3822 2.3822 2.7989 2.7989 2.8303 2.8303 2.9584 2.9584 3.0044 3.0044 3.3004 3.3004 3.3128 3.3128 3.7238 3.7238 3.7408 3.7408 3.8582 3.8582 3.8805 3.8805 4.1612 4.1612 4.1858 4.1858 4.4514 4.4514 4.4603 4.4603 4.7599 4.7599 4.7631 4.7631 6.6652 6.6652 6.6978 6.6978 7.0509 7.0509 7.0798 7.0798 7.4169 7.4169 7.4317 7.4317 7.7528 7.7528 k = 0.0000 0.2412 0.0508 ( 16028 PWs) bands (ev): -8.9487 -8.9487 -8.9487 -8.9487 -7.3568 -7.3568 -7.3568 -7.3568 -7.0782 -7.0782 -7.0782 -7.0782 -6.7240 -6.7240 -6.7239 -6.7239 -3.8638 -3.8638 -3.8635 -3.8635 -2.0485 -2.0485 -2.0482 -2.0482 0.3906 0.3906 0.3914 0.3914 1.2444 1.2444 1.2464 1.2464 1.5554 1.5554 1.5607 1.5607 2.3563 2.3563 2.3621 2.3621 2.7624 2.7624 2.7914 2.7914 2.9655 2.9655 3.0098 3.0098 3.3191 3.3191 3.3325 3.3325 3.7251 3.7251 3.7433 3.7433 3.8563 3.8563 3.8797 3.8797 4.1805 4.1805 4.2045 4.2045 4.4632 4.4632 4.4733 4.4733 4.7558 4.7558 4.7593 4.7593 6.6361 6.6361 6.6692 6.6692 7.0592 7.0592 7.0923 7.0923 7.3975 7.3975 7.4143 7.4143 7.7561 7.7561 k = 0.0000 0.2412 0.0634 ( 16040 PWs) bands (ev): -8.9480 -8.9480 -8.9480 -8.9480 -7.3742 -7.3742 -7.3741 -7.3741 -7.0563 -7.0563 -7.0562 -7.0562 -6.7271 -6.7271 -6.7270 -6.7270 -3.8692 -3.8692 -3.8690 -3.8690 -2.0467 -2.0467 -2.0464 -2.0464 0.3968 0.3968 0.3976 0.3976 1.2477 1.2477 1.2500 1.2500 1.5703 1.5703 1.5759 1.5759 2.3323 2.3323 2.3379 2.3379 2.7231 2.7231 2.7494 2.7494 2.9696 2.9696 3.0105 3.0105 3.3425 3.3425 3.3558 3.3558 3.7254 3.7254 3.7446 3.7446 3.8566 3.8566 3.8802 3.8802 4.2014 4.2014 4.2244 4.2244 4.4793 4.4793 4.4904 4.4904 4.7508 4.7508 4.7550 4.7550 6.6022 6.6022 6.6352 6.6352 7.0683 7.0683 7.1052 7.1052 7.3749 7.3749 7.3943 7.3943 7.7593 7.7593 k = 0.0000 0.2412 0.0761 ( 16026 PWs) bands (ev): -8.9473 -8.9473 -8.9473 -8.9473 -7.3916 -7.3916 -7.3916 -7.3916 -7.0333 -7.0333 -7.0333 -7.0333 -6.7309 -6.7309 -6.7308 -6.7308 -3.8754 -3.8754 -3.8752 -3.8752 -2.0446 -2.0446 -2.0443 -2.0443 0.4040 0.4040 0.4049 0.4049 1.2514 1.2514 1.2539 1.2539 1.5885 1.5885 1.5944 1.5944 2.3050 2.3050 2.3105 2.3105 2.6819 2.6819 2.7054 2.7054 2.9709 2.9709 3.0075 3.0075 3.3694 3.3694 3.3818 3.3818 3.7244 3.7244 3.7442 3.7442 3.8592 3.8592 3.8824 3.8824 4.2222 4.2222 4.2438 4.2438 4.4999 4.4999 4.5115 4.5115 4.7454 4.7454 4.7503 4.7503 6.5648 6.5648 6.5971 6.5971 7.0776 7.0776 7.1180 7.1180 7.3503 7.3503 7.3729 7.3729 7.7620 7.7620 k = 0.0000 0.2412 0.0888 ( 16034 PWs) bands (ev): -8.9465 -8.9465 -8.9465 -8.9465 -7.4085 -7.4085 -7.4085 -7.4085 -7.0100 -7.0100 -7.0099 -7.0099 -6.7355 -6.7355 -6.7354 -6.7354 -3.8821 -3.8821 -3.8819 -3.8819 -2.0423 -2.0423 -2.0421 -2.0421 0.4120 0.4120 0.4128 0.4128 1.2554 1.2554 1.2579 1.2579 1.6100 1.6100 1.6162 1.6162 2.2752 2.2752 2.2810 2.2810 2.6395 2.6395 2.6606 2.6606 2.9700 2.9700 3.0019 3.0019 3.3984 3.3984 3.4096 3.4096 3.7219 3.7219 3.7421 3.7421 3.8637 3.8637 3.8859 3.8859 4.2417 4.2417 4.2617 4.2617 4.5247 4.5247 4.5359 4.5359 4.7397 4.7397 4.7459 4.7459 6.5253 6.5253 6.5564 6.5564 7.0863 7.0863 7.1301 7.1301 7.3248 7.3248 7.3511 7.3511 7.7641 7.7641 k = 0.0000 0.2412 0.1015 ( 16030 PWs) bands (ev): -8.9457 -8.9457 -8.9456 -8.9456 -7.4244 -7.4244 -7.4244 -7.4244 -6.9867 -6.9867 -6.9866 -6.9866 -6.7410 -6.7410 -6.7409 -6.7409 -3.8891 -3.8891 -3.8889 -3.8889 -2.0400 -2.0400 -2.0398 -2.0398 0.4204 0.4204 0.4211 0.4211 1.2593 1.2593 1.2619 1.2619 1.6346 1.6346 1.6410 1.6410 2.2435 2.2435 2.2499 2.2499 2.5969 2.5969 2.6158 2.6158 2.9674 2.9674 2.9948 2.9948 3.4285 3.4285 3.4384 3.4384 3.7183 3.7183 3.7384 3.7384 3.8694 3.8694 3.8903 3.8903 4.2593 4.2593 4.2775 4.2775 4.5525 4.5525 4.5623 4.5623 4.7344 4.7344 4.7425 4.7425 6.4848 6.4848 6.5142 6.5142 7.0942 7.0942 7.1411 7.1411 7.2994 7.2994 7.3298 7.3298 7.7655 7.7655 k = 0.0000 0.2412 0.1142 ( 16042 PWs) bands (ev): -8.9448 -8.9448 -8.9448 -8.9448 -7.4390 -7.4390 -7.4390 -7.4390 -6.9638 -6.9638 -6.9637 -6.9637 -6.7473 -6.7473 -6.7472 -6.7472 -3.8961 -3.8961 -3.8959 -3.8959 -2.0377 -2.0377 -2.0375 -2.0375 0.4289 0.4289 0.4296 0.4296 1.2632 1.2632 1.2658 1.2658 1.6619 1.6619 1.6687 1.6687 2.2106 2.2106 2.2178 2.2178 2.5551 2.5551 2.5721 2.5721 2.9639 2.9639 2.9870 2.9870 3.4586 3.4586 3.4674 3.4674 3.7137 3.7137 3.7334 3.7334 3.8753 3.8753 3.8947 3.8947 4.2747 4.2747 4.2910 4.2910 4.5813 4.5813 4.5891 4.5891 4.7304 4.7304 4.7410 4.7410 6.4447 6.4447 6.4718 6.4718 7.1008 7.1008 7.1505 7.1505 7.2753 7.2753 7.3098 7.3098 7.7662 7.7662 k = 0.0000 0.2412 0.1269 ( 16048 PWs) bands (ev): -8.9440 -8.9440 -8.9440 -8.9440 -7.4521 -7.4521 -7.4520 -7.4520 -6.9416 -6.9416 -6.9416 -6.9416 -6.7546 -6.7546 -6.7544 -6.7544 -3.9027 -3.9027 -3.9026 -3.9026 -2.0355 -2.0355 -2.0354 -2.0354 0.4372 0.4372 0.4378 0.4378 1.2668 1.2668 1.2693 1.2693 1.6918 1.6918 1.6989 1.6989 2.1770 2.1770 2.1852 2.1852 2.5152 2.5152 2.5304 2.5304 2.9599 2.9599 2.9790 2.9790 3.4879 3.4879 3.4958 3.4958 3.7084 3.7084 3.7274 3.7274 3.8810 3.8810 3.8986 3.8986 4.2880 4.2880 4.3024 4.3024 4.6076 4.6076 4.6140 4.6140 4.7292 4.7292 4.7429 4.7429 6.4062 6.4062 6.4306 6.4306 7.1063 7.1063 7.1580 7.1580 7.2537 7.2537 7.2918 7.2918 7.7664 7.7664 k = 0.0000 0.2412 0.1396 ( 16054 PWs) bands (ev): -8.9432 -8.9432 -8.9432 -8.9432 -7.4634 -7.4634 -7.4634 -7.4634 -6.9204 -6.9204 -6.9204 -6.9204 -6.7627 -6.7627 -6.7626 -6.7626 -3.9089 -3.9089 -3.9087 -3.9087 -2.0336 -2.0336 -2.0334 -2.0334 0.4449 0.4449 0.4455 0.4455 1.2701 1.2701 1.2724 1.2724 1.7236 1.7236 1.7310 1.7310 2.1432 2.1432 2.1522 2.1522 2.4787 2.4787 2.4920 2.4920 2.9560 2.9560 2.9714 2.9714 3.5158 3.5158 3.5230 3.5230 3.7026 3.7026 3.7206 3.7206 3.8861 3.8861 3.9016 3.9016 4.2995 4.2995 4.3118 4.3118 4.6276 4.6276 4.6347 4.6347 4.7329 4.7329 4.7492 4.7492 6.3706 6.3706 6.3919 6.3919 7.1106 7.1106 7.1622 7.1622 7.2361 7.2361 7.2760 7.2760 7.7662 7.7662 k = 0.0000 0.2412 0.1523 ( 16044 PWs) bands (ev): -8.9426 -8.9426 -8.9426 -8.9426 -7.4729 -7.4729 -7.4729 -7.4729 -6.9004 -6.9004 -6.9003 -6.9003 -6.7718 -6.7718 -6.7716 -6.7716 -3.9142 -3.9142 -3.9141 -3.9141 -2.0318 -2.0318 -2.0317 -2.0317 0.4518 0.4518 0.4523 0.4523 1.2730 1.2730 1.2750 1.2750 1.7565 1.7565 1.7641 1.7641 2.1098 2.1098 2.1193 2.1193 2.4467 2.4467 2.4580 2.4580 2.9525 2.9525 2.9645 2.9645 3.5415 3.5415 3.5482 3.5482 3.6963 3.6963 3.7128 3.7128 3.8904 3.8904 3.9035 3.9035 4.3092 4.3092 4.3193 4.3193 4.6401 4.6401 4.6482 4.6482 4.7431 4.7431 4.7597 4.7597 6.3393 6.3393 6.3571 6.3571 7.1142 7.1142 7.1619 7.1619 7.2246 7.2246 7.2627 7.2627 7.7658 7.7659 k = 0.0000 0.2412 0.1650 ( 16056 PWs) bands (ev): -8.9420 -8.9420 -8.9420 -8.9420 -7.4804 -7.4804 -7.4804 -7.4804 -6.8819 -6.8819 -6.8818 -6.8818 -6.7816 -6.7816 -6.7814 -6.7814 -3.9186 -3.9186 -3.9186 -3.9186 -2.0304 -2.0304 -2.0303 -2.0303 0.4575 0.4575 0.4579 0.4579 1.2754 1.2754 1.2770 1.2770 1.7895 1.7895 1.7970 1.7970 2.0776 2.0776 2.0870 2.0870 2.4207 2.4207 2.4296 2.4296 2.9498 2.9498 2.9586 2.9586 3.5643 3.5643 3.5706 3.5706 3.6898 3.6898 3.7044 3.7044 3.8939 3.8939 3.9043 3.9043 4.3172 4.3172 4.3249 4.3249 4.6470 4.6470 4.6542 4.6542 4.7578 4.7578 4.7720 4.7720 6.3138 6.3138 6.3276 6.3276 7.1176 7.1176 7.1564 7.1564 7.2201 7.2201 7.2516 7.2516 7.7655 7.7655 k = 0.0000 0.2412 0.1777 ( 16030 PWs) bands (ev): -8.9416 -8.9416 -8.9416 -8.9416 -7.4858 -7.4858 -7.4858 -7.4858 -6.8654 -6.8654 -6.8653 -6.8653 -6.7917 -6.7917 -6.7916 -6.7916 -3.9219 -3.9219 -3.9218 -3.9218 -2.0294 -2.0294 -2.0293 -2.0293 0.4618 0.4618 0.4621 0.4621 1.2773 1.2773 1.2784 1.2784 1.8205 1.8205 1.8272 1.8272 2.0486 2.0486 2.0568 2.0568 2.4017 2.4017 2.4079 2.4079 2.9480 2.9480 2.9538 2.9538 3.5833 3.5833 3.5889 3.5889 3.6840 3.6840 3.6955 3.6955 3.8968 3.8968 3.9040 3.9040 4.3234 4.3234 4.3286 4.3286 4.6506 4.6506 4.6556 4.6556 4.7727 4.7727 4.7827 4.7827 6.2952 6.2952 6.3047 6.3047 7.1212 7.1212 7.1480 7.1480 7.2207 7.2207 7.2426 7.2426 7.7652 7.7653 k = 0.0000 0.2412 0.1903 ( 16042 PWs) bands (ev): -8.9414 -8.9414 -8.9414 -8.9414 -7.4890 -7.4890 -7.4890 -7.4890 -6.8523 -6.8523 -6.8523 -6.8523 -6.8009 -6.8009 -6.8008 -6.8008 -3.9239 -3.9239 -3.9239 -3.9239 -2.0287 -2.0287 -2.0287 -2.0287 0.4645 0.4645 0.4647 0.4647 1.2785 1.2785 1.2791 1.2791 1.8454 1.8454 1.8498 1.8498 2.0270 2.0270 2.0323 2.0323 2.3907 2.3907 2.3939 2.3939 2.9475 2.9475 2.9504 2.9504 3.5972 3.5972 3.6009 3.6009 3.6805 3.6805 3.6872 3.6872 3.8993 3.8993 3.9029 3.9029 4.3277 4.3277 4.3303 4.3303 4.6526 4.6526 4.6552 4.6552 4.7840 4.7840 4.7891 4.7891 6.2846 6.2846 6.2894 6.2894 7.1258 7.1258 7.1393 7.1393 7.2241 7.2241 7.2352 7.2352 7.7653 7.7653 k = 0.0000 0.2412 0.2030 ( 16040 PWs) bands (ev): -8.9413 -8.9413 -8.9413 -8.9413 -7.4901 -7.4901 -7.4901 -7.4901 -6.8467 -6.8467 -6.8467 -6.8467 -6.8052 -6.8052 -6.8052 -6.8052 -3.9246 -3.9246 -3.9246 -3.9246 -2.0285 -2.0285 -2.0285 -2.0285 0.4655 0.4655 0.4655 0.4655 1.2792 1.2792 1.2792 1.2792 1.8571 1.8571 1.8571 1.8571 2.0204 2.0204 2.0204 2.0204 2.3880 2.3880 2.3880 2.3880 2.9483 2.9483 2.9483 2.9483 3.6038 3.6038 3.6038 3.6038 3.6814 3.6814 3.6814 3.6814 3.9013 3.9013 3.9013 3.9013 4.3300 4.3300 4.3300 4.3300 4.6540 4.6540 4.6540 4.6540 4.7897 4.7897 4.7897 4.7897 6.2827 6.2827 6.2827 6.2827 7.1318 7.1318 7.1318 7.1318 7.2291 7.2291 7.2291 7.2291 7.7656 7.7656 k = 0.5000-0.0000 0.2030 ( 16028 PWs) bands (ev): -7.6941 -7.6941 -7.6938 -7.6938 -7.6860 -7.6860 -7.6849 -7.6849 -6.7103 -6.7103 -6.7100 -6.7100 -6.6456 -6.6456 -6.6455 -6.6455 -3.7084 -3.7084 -3.7083 -3.7083 -3.6698 -3.6698 -3.6692 -3.6692 0.0946 0.0946 0.0982 0.0982 0.3872 0.3872 0.3879 0.3879 1.0196 1.0196 1.0213 1.0213 1.3615 1.3615 1.3622 1.3622 2.0502 2.0502 2.0812 2.0812 2.2657 2.2657 2.2826 2.2826 2.9621 2.9621 2.9688 2.9688 3.3781 3.3781 3.3853 3.3853 3.7130 3.7130 3.7386 3.7386 3.8544 3.8544 3.8829 3.8829 4.2556 4.2556 4.2677 4.2677 4.8461 4.8461 4.8502 4.8502 7.0518 7.0518 7.0574 7.0574 7.2779 7.2779 7.2797 7.2797 7.7754 7.7754 7.7847 7.7847 8.2522 8.2522 k = 0.5000-0.0000 0.1903 ( 16022 PWs) bands (ev): -7.6961 -7.6961 -7.6961 -7.6961 -7.6837 -7.6837 -7.6828 -7.6828 -6.7103 -6.7103 -6.7100 -6.7100 -6.6456 -6.6456 -6.6455 -6.6455 -3.7085 -3.7085 -3.7084 -3.7084 -3.6697 -3.6697 -3.6691 -3.6691 0.0921 0.0921 0.0990 0.0990 0.3778 0.3778 0.3908 0.3908 1.0178 1.0178 1.0284 1.0284 1.3652 1.3652 1.3688 1.3688 2.0421 2.0421 2.0747 2.0747 2.2640 2.2640 2.3014 2.3014 2.9514 2.9514 2.9788 2.9788 3.3761 3.3761 3.3882 3.3882 3.7068 3.7068 3.7403 3.7403 3.8516 3.8516 3.8819 3.8819 4.2498 4.2498 4.2673 4.2673 4.8396 4.8396 4.8483 4.8483 7.0478 7.0478 7.0625 7.0625 7.2799 7.2799 7.2941 7.2941 7.7789 7.7789 7.7885 7.7885 8.2541 8.2541 k = 0.5000-0.0000 0.1777 ( 16032 PWs) bands (ev): -7.7002 -7.7002 -7.7000 -7.7000 -7.6796 -7.6796 -7.6788 -7.6788 -6.7103 -6.7103 -6.7100 -6.7100 -6.6455 -6.6455 -6.6455 -6.6455 -3.7087 -3.7087 -3.7087 -3.7087 -3.6693 -3.6693 -3.6688 -3.6688 0.0869 0.0869 0.0990 0.0990 0.3625 0.3625 0.3874 0.3874 1.0210 1.0210 1.0408 1.0408 1.3786 1.3786 1.3857 1.3857 2.0224 2.0224 2.0560 2.0560 2.2745 2.2745 2.3371 2.3371 2.9374 2.9374 2.9908 2.9908 3.3730 3.3730 3.3940 3.3940 3.6927 3.6927 3.7401 3.7401 3.8451 3.8451 3.8779 3.8779 4.2355 4.2355 4.2634 4.2634 4.8236 4.8236 4.8395 4.8395 7.0444 7.0444 7.0698 7.0698 7.2981 7.2981 7.3238 7.3238 7.7893 7.7893 7.7999 7.7999 8.2598 8.2598 k = 0.5000-0.0000 0.1650 ( 16044 PWs) bands (ev): -7.7045 -7.7045 -7.7043 -7.7043 -7.6751 -7.6751 -7.6745 -7.6745 -6.7104 -6.7104 -6.7101 -6.7101 -6.6455 -6.6455 -6.6455 -6.6455 -3.7091 -3.7091 -3.7091 -3.7091 -3.6688 -3.6688 -3.6683 -3.6683 0.0802 0.0802 0.0976 0.0976 0.3427 0.3427 0.3776 0.3776 1.0302 1.0302 1.0570 1.0570 1.4012 1.4012 1.4114 1.4114 1.9981 1.9981 2.0293 2.0293 2.2958 2.2958 2.3793 2.3793 2.9227 2.9227 3.0022 3.0022 3.3698 3.3698 3.4011 3.4011 3.6749 3.6749 3.7318 3.7318 3.8391 3.8391 3.8704 3.8704 4.2155 4.2155 4.2544 4.2544 4.7995 4.7995 4.8230 4.8230 7.0448 7.0448 7.0780 7.0780 7.3317 7.3317 7.3654 7.3654 7.8065 7.8065 7.8191 7.8191 8.2688 8.2688 k = 0.5000-0.0000 0.1523 ( 16060 PWs) bands (ev): -7.7089 -7.7089 -7.7086 -7.7086 -7.6706 -7.6706 -7.6700 -7.6700 -6.7105 -6.7105 -6.7103 -6.7103 -6.6455 -6.6455 -6.6455 -6.6455 -3.7097 -3.7097 -3.7096 -3.7096 -3.6681 -3.6681 -3.6676 -3.6676 0.0725 0.0725 0.0948 0.0948 0.3194 0.3194 0.3624 0.3624 1.0448 1.0448 1.0764 1.0764 1.4313 1.4313 1.4448 1.4448 1.9734 1.9734 1.9999 1.9999 2.3221 2.3221 2.4243 2.4243 2.9076 2.9076 3.0130 3.0130 3.3661 3.3661 3.4088 3.4088 3.6554 3.6554 3.7134 3.7134 3.8346 3.8346 3.8606 3.8606 4.1911 4.1911 4.2405 4.2405 4.7681 4.7681 4.7993 4.7993 7.0498 7.0498 7.0880 7.0880 7.3779 7.3779 7.4166 7.4166 7.8306 7.8306 7.8462 7.8462 8.2808 8.2808 k = 0.5000-0.0000 0.1396 ( 16050 PWs) bands (ev): -7.7130 -7.7130 -7.7128 -7.7128 -7.6662 -7.6662 -7.6657 -7.6657 -6.7107 -6.7107 -6.7104 -6.7104 -6.6455 -6.6455 -6.6455 -6.6455 -3.7103 -3.7103 -3.7102 -3.7102 -3.6673 -3.6673 -3.6668 -3.6668 0.0644 0.0644 0.0911 0.0911 0.2939 0.2939 0.3428 0.3428 1.0641 1.0641 1.0983 1.0983 1.4668 1.4668 1.4841 1.4841 1.9513 1.9513 1.9713 1.9713 2.3494 2.3494 2.4697 2.4697 2.8927 2.8927 3.0232 3.0232 3.3615 3.3615 3.4161 3.4161 3.6356 3.6356 3.6866 3.6866 3.8259 3.8259 3.8550 3.8550 4.1637 4.1637 4.2227 4.2227 4.7301 4.7301 4.7692 4.7692 7.0591 7.0591 7.1003 7.1003 7.4341 7.4341 7.4753 7.4753 7.8615 7.8615 7.8812 7.8812 8.2951 8.2951 k = 0.5000-0.0000 0.1269 ( 16056 PWs) bands (ev): -7.7170 -7.7170 -7.7167 -7.7167 -7.6620 -7.6620 -7.6615 -7.6615 -6.7108 -6.7108 -6.7106 -6.7106 -6.6455 -6.6455 -6.6454 -6.6454 -3.7109 -3.7109 -3.7109 -3.7109 -3.6664 -3.6664 -3.6659 -3.6659 0.0561 0.0561 0.0867 0.0867 0.2672 0.2672 0.3202 0.3202 1.0870 1.0870 1.1222 1.1222 1.5051 1.5051 1.5273 1.5273 1.9339 1.9339 1.9461 1.9461 2.3752 2.3752 2.5132 2.5132 2.8788 2.8788 3.0327 3.0327 3.3552 3.3552 3.4208 3.4208 3.6179 3.6179 3.6547 3.6547 3.8082 3.8082 3.8575 3.8575 4.1345 4.1345 4.2020 4.2020 4.6865 4.6865 4.7336 4.7336 7.0723 7.0723 7.1147 7.1147 7.4977 7.4977 7.5393 7.5393 7.8989 7.8989 7.9239 7.9239 8.3110 8.3110 k = 0.5000-0.0000 0.1142 ( 16076 PWs) bands (ev): -7.7207 -7.7207 -7.7204 -7.7204 -7.6581 -7.6581 -7.6576 -7.6576 -6.7110 -6.7110 -6.7108 -6.7108 -6.6454 -6.6454 -6.6454 -6.6454 -3.7116 -3.7116 -3.7115 -3.7115 -3.6654 -3.6654 -3.6650 -3.6650 0.0483 0.0483 0.0823 0.0823 0.2401 0.2401 0.2957 0.2957 1.1125 1.1125 1.1474 1.1474 1.5427 1.5427 1.5716 1.5716 1.9237 1.9237 1.9273 1.9273 2.3977 2.3977 2.5516 2.5516 2.8675 2.8675 3.0416 3.0416 3.3468 3.3468 3.4201 3.4201 3.6045 3.6045 3.6218 3.6218 3.7860 3.7860 3.8638 3.8638 4.1049 4.1049 4.1797 4.1797 4.6382 4.6382 4.6935 4.6935 7.0885 7.0885 7.1307 7.1307 7.5666 7.5666 7.6069 7.6069 7.9426 7.9426 7.9740 7.9740 8.3278 8.3278 k = 0.5000-0.0000 0.1015 ( 16068 PWs) bands (ev): -7.7241 -7.7241 -7.7239 -7.7239 -7.6544 -7.6544 -7.6540 -7.6540 -6.7112 -6.7112 -6.7109 -6.7109 -6.6454 -6.6454 -6.6454 -6.6454 -3.7123 -3.7123 -3.7122 -3.7122 -3.6645 -3.6645 -3.6640 -3.6640 0.0413 0.0413 0.0782 0.0782 0.2134 0.2134 0.2704 0.2704 1.1394 1.1394 1.1733 1.1733 1.5760 1.5760 1.6128 1.6128 1.9170 1.9170 1.9250 1.9250 2.4154 2.4154 2.5807 2.5807 2.8620 2.8620 3.0495 3.0495 3.3356 3.3356 3.4113 3.4113 3.5849 3.5849 3.6032 3.6032 3.7634 3.7634 3.8715 3.8715 4.0761 4.0761 4.1573 4.1573 4.5864 4.5864 4.6499 4.6499 7.1065 7.1065 7.1475 7.1475 7.6389 7.6389 7.6764 7.6764 7.9921 7.9921 8.0303 8.0303 8.3449 8.3449 k = 0.5000-0.0000 0.0888 ( 16072 PWs) bands (ev): -7.7272 -7.7272 -7.7270 -7.7270 -7.6510 -7.6510 -7.6507 -7.6507 -6.7113 -6.7113 -6.7111 -6.7111 -6.6454 -6.6454 -6.6454 -6.6454 -3.7129 -3.7129 -3.7129 -3.7129 -3.6635 -3.6635 -3.6631 -3.6631 0.0354 0.0354 0.0747 0.0747 0.1877 0.1877 0.2451 0.2451 1.1667 1.1667 1.1990 1.1990 1.6016 1.6016 1.6456 1.6456 1.9217 1.9217 1.9385 1.9385 2.4271 2.4271 2.5953 2.5953 2.8658 2.8658 3.0563 3.0563 3.3215 3.3215 3.3945 3.3945 3.5562 3.5562 3.6023 3.6023 3.7445 3.7445 3.8791 3.8791 4.0495 4.0495 4.1363 4.1363 4.5325 4.5325 4.6039 4.6039 7.1256 7.1256 7.1642 7.1642 7.7127 7.7127 7.7464 7.7464 8.0464 8.0464 8.0908 8.0908 8.3618 8.3618 k = 0.5000-0.0000 0.0761 ( 16082 PWs) bands (ev): -7.7299 -7.7299 -7.7297 -7.7297 -7.6480 -7.6480 -7.6477 -7.6477 -6.7115 -6.7115 -6.7113 -6.7113 -6.6454 -6.6454 -6.6454 -6.6454 -3.7135 -3.7135 -3.7135 -3.7135 -3.6626 -3.6626 -3.6623 -3.6623 0.0311 0.0311 0.0722 0.0722 0.1636 0.1636 0.2205 0.2205 1.1934 1.1934 1.2235 1.2235 1.6181 1.6181 1.6655 1.6655 1.9443 1.9443 1.9659 1.9659 2.4319 2.4319 2.5922 2.5922 2.8810 2.8810 3.0615 3.0615 3.3051 3.3051 3.3720 3.3720 3.5317 3.5317 3.6011 3.6011 3.7356 3.7356 3.8854 3.8854 4.0259 4.0259 4.1182 4.1182 4.4781 4.4781 4.5566 4.5566 7.1446 7.1446 7.1798 7.1798 7.7864 7.7864 7.8159 7.8159 8.1040 8.1040 8.1517 8.1517 8.3778 8.3778 k = 0.5000-0.0000 0.0634 ( 16082 PWs) bands (ev): -7.7322 -7.7322 -7.7321 -7.7321 -7.6454 -7.6454 -7.6452 -7.6452 -6.7116 -6.7116 -6.7115 -6.7115 -6.6454 -6.6454 -6.6453 -6.6453 -3.7141 -3.7141 -3.7140 -3.7140 -3.6618 -3.6618 -3.6616 -3.6616 0.0285 0.0285 0.0707 0.0707 0.1417 0.1417 0.1973 0.1973 1.2186 1.2186 1.2458 1.2458 1.6269 1.6269 1.6725 1.6725 1.9840 1.9840 2.0047 2.0047 2.4290 2.4290 2.5723 2.5723 2.9054 2.9054 3.0647 3.0647 3.2880 3.2880 3.3470 3.3470 3.5128 3.5128 3.5921 3.5921 3.7418 3.7418 3.8894 3.8894 4.0067 4.0067 4.1038 4.1038 4.4253 4.4253 4.5091 4.5091 7.1628 7.1628 7.1936 7.1936 7.8583 7.8583 7.8839 7.8839 8.1622 8.1622 8.2066 8.2066 8.3881 8.3881 k = 0.5000-0.0000 0.0508 ( 16078 PWs) bands (ev): -7.7342 -7.7342 -7.7340 -7.7340 -7.6433 -7.6433 -7.6431 -7.6431 -6.7117 -6.7117 -6.7116 -6.7116 -6.6453 -6.6453 -6.6453 -6.6453 -3.7145 -3.7145 -3.7145 -3.7145 -3.6612 -3.6612 -3.6609 -3.6609 0.0279 0.0279 0.0698 0.0698 0.1229 0.1229 0.1757 0.1757 1.2414 1.2414 1.2650 1.2650 1.6307 1.6307 1.6708 1.6708 2.0355 2.0355 2.0512 2.0512 2.4183 2.4183 2.5391 2.5391 2.9346 2.9346 3.0654 3.0654 3.2721 3.2721 3.3221 3.3221 3.5000 3.5000 3.5753 3.5753 3.7614 3.7614 3.8899 3.8899 3.9931 3.9931 4.0929 4.0929 4.3771 4.3771 4.4627 4.4627 7.1794 7.1794 7.2051 7.2051 7.9269 7.9269 7.9493 7.9493 8.2157 8.2157 8.2479 8.2479 8.3921 8.3921 k = 0.5000-0.0000 0.0381 ( 16080 PWs) bands (ev): -7.7357 -7.7357 -7.7356 -7.7356 -7.6416 -7.6416 -7.6414 -7.6414 -6.7118 -6.7118 -6.7117 -6.7117 -6.6453 -6.6453 -6.6453 -6.6453 -3.7149 -3.7149 -3.7148 -3.7148 -3.6606 -3.6606 -3.6604 -3.6604 0.0294 0.0294 0.0684 0.0684 0.1090 0.1090 0.1561 0.1561 1.2611 1.2611 1.2801 1.2801 1.6326 1.6326 1.6645 1.6645 2.0931 2.0931 2.1012 2.1012 2.4004 2.4004 2.4964 2.4964 2.9644 2.9644 3.0632 3.0632 3.2596 3.2596 3.2993 3.2993 3.4929 3.4929 3.5551 3.5551 3.7879 3.7879 3.8868 3.8868 3.9867 3.9867 4.0827 4.0827 4.3381 4.3381 4.4188 4.4188 7.1937 7.1937 7.2136 7.2136 7.9903 7.9903 8.0103 8.0103 8.2509 8.2509 8.2750 8.2750 8.3972 8.3972 k = 0.5000-0.0000 0.0254 ( 16090 PWs) bands (ev): -7.7368 -7.7368 -7.7367 -7.7367 -7.6403 -7.6403 -7.6402 -7.6402 -6.7119 -6.7119 -6.7118 -6.7118 -6.6453 -6.6453 -6.6453 -6.6453 -3.7151 -3.7151 -3.7151 -3.7151 -3.6602 -3.6602 -3.6601 -3.6601 0.0330 0.0330 0.0637 0.0637 0.1029 0.1029 0.1389 0.1389 1.2770 1.2770 1.2904 1.2904 1.6344 1.6344 1.6566 1.6566 2.1502 2.1502 2.1511 2.1511 2.3777 2.3777 2.4479 2.4479 2.9919 2.9919 3.0575 3.0575 3.2520 3.2520 3.2798 3.2798 3.4914 3.4914 3.5352 3.5352 3.8154 3.8154 3.8802 3.8802 3.9895 3.9895 4.0689 4.0689 4.3138 4.3138 4.3788 4.3788 7.2054 7.2054 7.2190 7.2190 8.0461 8.0461 8.0636 8.0636 8.2589 8.2589 8.2861 8.2861 8.4168 8.4168 k = 0.5000-0.0000 0.0127 ( 16094 PWs) bands (ev): -7.7374 -7.7374 -7.7374 -7.7374 -7.6395 -7.6395 -7.6395 -7.6395 -6.7119 -6.7119 -6.7119 -6.7119 -6.6453 -6.6453 -6.6453 -6.6453 -3.7153 -3.7153 -3.7153 -3.7153 -3.6599 -3.6599 -3.6599 -3.6599 0.0389 0.0389 0.0555 0.0555 0.1050 0.1050 0.1243 0.1243 1.2883 1.2883 1.2952 1.2952 1.6375 1.6375 1.6489 1.6489 2.1932 2.1932 2.1992 2.1992 2.3579 2.3579 2.3988 2.3988 3.0154 3.0154 3.0480 3.0480 3.2503 3.2503 3.2647 3.2647 3.4952 3.4952 3.5178 3.5178 3.8392 3.8392 3.8705 3.8705 4.0026 4.0026 4.0485 4.0485 4.3081 4.3081 4.3448 4.3448 7.2140 7.2140 7.2208 7.2208 8.0898 8.0898 8.1019 8.1019 8.2563 8.2563 8.2758 8.2758 8.4506 8.4506 k = 0.5000-0.0000-0.0000 ( 16086 PWs) bands (ev): -7.7377 -7.7377 -7.7377 -7.7377 -7.6393 -7.6393 -7.6393 -7.6393 -6.7119 -6.7119 -6.7119 -6.7119 -6.6453 -6.6453 -6.6453 -6.6453 -3.7153 -3.7153 -3.7153 -3.7153 -3.6598 -3.6598 -3.6598 -3.6598 0.0466 0.0466 0.0466 0.0466 0.1128 0.1128 0.1128 0.1128 1.2945 1.2945 1.2945 1.2945 1.6424 1.6424 1.6424 1.6424 2.2164 2.2164 2.2164 2.2164 2.3619 2.3619 2.3619 2.3619 3.0341 3.0341 3.0341 3.0341 3.2547 3.2547 3.2547 3.2547 3.5042 3.5042 3.5042 3.5042 3.8573 3.8573 3.8573 3.8573 4.0242 4.0242 4.0242 4.0242 4.3199 4.3199 4.3199 4.3199 7.2192 7.2192 7.2192 7.2192 8.1121 8.1121 8.1121 8.1121 8.2605 8.2605 8.2605 8.2605 8.4836 8.4836 k = 0.5000 0.2412-0.0000 ( 16028 PWs) bands (ev): -7.6861 -7.6861 -7.6856 -7.6856 -7.6854 -7.6854 -7.6849 -7.6849 -6.6859 -6.6859 -6.6858 -6.6858 -6.6852 -6.6852 -6.6850 -6.6850 -3.6921 -3.6921 -3.6914 -3.6914 -3.6868 -3.6868 -3.6865 -3.6865 0.1107 0.1107 0.1135 0.1135 0.1281 0.1281 0.1294 0.1294 1.5350 1.5350 1.5369 1.5369 1.5950 1.5950 1.6134 1.6134 2.1900 2.1900 2.1915 2.1915 2.1980 2.1980 2.2078 2.2078 3.0378 3.0378 3.0394 3.0394 3.1593 3.1593 3.1875 3.1875 3.5346 3.5346 3.5441 3.5441 3.5852 3.5852 3.5893 3.5893 4.0947 4.0947 4.1259 4.1259 4.1698 4.1698 4.1804 4.1804 7.7279 7.7279 7.7353 7.7353 7.7386 7.7386 7.7509 7.7509 8.1371 8.1371 8.1501 8.1501 8.1941 8.1941 k = 0.5000 0.2412 0.0127 ( 16036 PWs) bands (ev): -7.6862 -7.6862 -7.6857 -7.6857 -7.6853 -7.6853 -7.6848 -7.6848 -6.6863 -6.6863 -6.6855 -6.6855 -6.6855 -6.6855 -6.6847 -6.6847 -3.6921 -3.6921 -3.6913 -3.6913 -3.6868 -3.6868 -3.6865 -3.6865 0.1109 0.1109 0.1146 0.1146 0.1278 0.1278 0.1309 0.1309 1.5270 1.5270 1.5418 1.5418 1.5884 1.5884 1.6163 1.6163 2.1803 2.1803 2.1896 2.1896 2.1999 2.1999 2.2172 2.2172 3.0062 3.0062 3.0703 3.0703 3.1514 3.1514 3.1869 3.1869 3.5036 3.5036 3.5817 3.5817 3.5829 3.5829 3.6042 3.6042 4.0945 4.0945 4.1264 4.1264 4.1621 4.1621 4.1879 4.1879 7.7189 7.7189 7.7235 7.7235 7.7400 7.7400 7.7559 7.7559 8.1278 8.1278 8.1628 8.1628 8.1903 8.1903 k = 0.5000 0.2412 0.0254 ( 16048 PWs) bands (ev): -7.6863 -7.6863 -7.6859 -7.6859 -7.6850 -7.6850 -7.6846 -7.6846 -6.6868 -6.6868 -6.6860 -6.6860 -6.6852 -6.6852 -6.6844 -6.6844 -3.6919 -3.6919 -3.6911 -3.6911 -3.6868 -3.6868 -3.6863 -3.6863 0.1118 0.1118 0.1176 0.1176 0.1283 0.1283 0.1339 0.1339 1.5153 1.5153 1.5445 1.5445 1.5744 1.5744 1.6194 1.6194 2.1656 2.1656 2.1862 2.1862 2.2031 2.2031 2.2311 2.2311 2.9758 2.9758 3.0983 3.0983 3.1328 3.1328 3.1824 3.1824 3.4772 3.4772 3.5911 3.5911 3.6277 3.6277 3.6310 3.6310 4.0943 4.0943 4.1284 4.1284 4.1510 4.1510 4.1990 4.1990 7.6996 7.6996 7.7010 7.7010 7.7368 7.7368 7.7578 7.7578 8.1185 8.1185 8.1826 8.1826 8.1884 8.1884 k = 0.5000 0.2412 0.0381 ( 16052 PWs) bands (ev): -7.6865 -7.6865 -7.6860 -7.6860 -7.6847 -7.6847 -7.6843 -7.6843 -6.6873 -6.6873 -6.6866 -6.6866 -6.6849 -6.6849 -6.6842 -6.6842 -3.6917 -3.6917 -3.6908 -3.6908 -3.6868 -3.6868 -3.6860 -3.6860 0.1138 0.1138 0.1221 0.1221 0.1298 0.1298 0.1381 0.1381 1.5012 1.5012 1.5440 1.5440 1.5568 1.5568 1.6192 1.6192 2.1515 2.1515 2.1826 2.1826 2.2060 2.2060 2.2433 2.2433 2.9497 2.9497 3.1099 3.1099 3.1199 3.1199 3.1731 3.1731 3.4618 3.4618 3.6082 3.6082 3.6639 3.6639 3.6752 3.6752 4.0948 4.0948 4.1327 4.1327 4.1406 4.1406 4.2107 4.2107 7.6729 7.6729 7.6737 7.6737 7.7259 7.7259 7.7515 7.7515 8.1147 8.1147 8.1909 8.1909 8.2047 8.2047 k = 0.5000 0.2412 0.0508 ( 16056 PWs) bands (ev): -7.6867 -7.6867 -7.6862 -7.6862 -7.6844 -7.6844 -7.6840 -7.6840 -6.6879 -6.6879 -6.6871 -6.6871 -6.6847 -6.6847 -6.6840 -6.6840 -3.6914 -3.6914 -3.6903 -3.6903 -3.6867 -3.6867 -3.6858 -3.6858 0.1170 0.1170 0.1277 0.1277 0.1324 0.1324 0.1433 0.1433 1.4852 1.4852 1.5369 1.5369 1.5407 1.5407 1.6151 1.6151 2.1388 2.1388 2.1787 2.1787 2.2080 2.2080 2.2523 2.2523 2.9297 2.9297 3.0866 3.0866 3.1334 3.1334 3.1616 3.1616 3.4581 3.4581 3.6293 3.6293 3.6984 3.6984 3.7209 3.7209 4.0976 4.0976 4.1330 4.1330 4.1405 4.1405 4.2230 4.2230 7.6403 7.6403 7.6423 7.6423 7.7075 7.7075 7.7361 7.7361 8.1173 8.1173 8.1978 8.1978 8.2284 8.2284 k = 0.5000 0.2412 0.0634 ( 16056 PWs) bands (ev): -7.6868 -7.6868 -7.6864 -7.6864 -7.6841 -7.6841 -7.6836 -7.6836 -6.6885 -6.6885 -6.6878 -6.6878 -6.6846 -6.6846 -6.6839 -6.6839 -3.6911 -3.6911 -3.6898 -3.6898 -3.6865 -3.6865 -3.6854 -3.6854 0.1212 0.1212 0.1343 0.1343 0.1358 0.1358 0.1494 0.1494 1.4677 1.4677 1.5153 1.5153 1.5349 1.5349 1.6073 1.6073 2.1276 2.1276 2.1744 2.1744 2.2086 2.2086 2.2573 2.2573 2.9172 2.9172 3.0656 3.0656 3.1393 3.1393 3.1505 3.1505 3.4647 3.4647 3.6496 3.6496 3.7301 3.7301 3.7611 3.7611 4.1045 4.1045 4.1307 4.1307 4.1534 4.1534 4.2367 4.2367 7.6039 7.6039 7.6062 7.6062 7.6824 7.6824 7.7124 7.7124 8.1261 8.1261 8.2088 8.2088 8.2535 8.2535 k = 0.5000 0.2412 0.0761 ( 16072 PWs) bands (ev): -7.6869 -7.6869 -7.6865 -7.6865 -7.6837 -7.6837 -7.6833 -7.6833 -6.6891 -6.6891 -6.6884 -6.6884 -6.6845 -6.6845 -6.6839 -6.6839 -3.6906 -3.6906 -3.6892 -3.6892 -3.6864 -3.6864 -3.6851 -3.6851 0.1262 0.1262 0.1401 0.1401 0.1419 0.1419 0.1562 0.1562 1.4492 1.4492 1.4927 1.4927 1.5270 1.5270 1.5962 1.5962 2.1179 2.1179 2.1693 2.1693 2.2076 2.2076 2.2577 2.2577 2.9129 2.9129 3.0485 3.0485 3.1400 3.1400 3.1418 3.1418 3.4781 3.4781 3.6654 3.6654 3.7549 3.7549 3.7911 3.7911 4.1180 4.1180 4.1373 4.1373 4.1725 4.1725 4.2520 4.2520 7.5645 7.5645 7.5666 7.5666 7.6519 7.6519 7.6817 7.6817 8.1404 8.1404 8.2231 8.2231 8.2799 8.2799 k = 0.5000 0.2412 0.0888 ( 16068 PWs) bands (ev): -7.6870 -7.6870 -7.6866 -7.6866 -7.6833 -7.6833 -7.6830 -7.6830 -6.6897 -6.6897 -6.6891 -6.6891 -6.6845 -6.6845 -6.6839 -6.6839 -3.6902 -3.6902 -3.6886 -3.6886 -3.6862 -3.6862 -3.6847 -3.6847 0.1320 0.1320 0.1448 0.1448 0.1501 0.1501 0.1635 0.1635 1.4305 1.4305 1.4697 1.4697 1.5177 1.5177 1.5824 1.5824 2.1097 2.1097 2.1632 2.1632 2.2050 2.2050 2.2538 2.2538 2.9168 2.9168 3.0361 3.0361 3.1365 3.1365 3.1381 3.1381 3.4946 3.4946 3.6747 3.6747 3.7697 3.7697 3.8075 3.8075 4.1396 4.1396 4.1553 4.1553 4.1980 4.1980 4.2694 4.2694 7.5230 7.5230 7.5245 7.5245 7.6174 7.6174 7.6460 7.6460 8.1589 8.1589 8.2399 8.2399 8.3074 8.3074 k = 0.5000 0.2412 0.1015 ( 16060 PWs) bands (ev): -7.6870 -7.6870 -7.6867 -7.6867 -7.6830 -7.6830 -7.6827 -7.6827 -6.6902 -6.6902 -6.6897 -6.6897 -6.6844 -6.6844 -6.6839 -6.6839 -3.6896 -3.6896 -3.6879 -3.6879 -3.6860 -3.6860 -3.6844 -3.6844 0.1382 0.1382 0.1500 0.1500 0.1587 0.1587 0.1711 0.1711 1.4119 1.4119 1.4469 1.4469 1.5075 1.5075 1.5668 1.5668 2.1027 2.1027 2.1561 2.1561 2.2011 2.2011 2.2463 2.2463 2.9282 2.9282 3.0290 3.0290 3.1350 3.1350 3.1355 3.1355 3.5115 3.5115 3.6770 3.6770 3.7739 3.7739 3.8098 3.8098 4.1689 4.1689 4.1845 4.1845 4.2289 4.2289 4.2887 4.2887 7.4805 7.4805 7.4812 7.4812 7.5805 7.5805 7.6072 7.6072 8.1803 8.1803 8.2581 8.2581 8.3357 8.3357 k = 0.5000 0.2412 0.1142 ( 16064 PWs) bands (ev): -7.6870 -7.6870 -7.6867 -7.6867 -7.6827 -7.6827 -7.6824 -7.6824 -6.6908 -6.6908 -6.6903 -6.6903 -6.6845 -6.6845 -6.6840 -6.6840 -3.6891 -3.6891 -3.6872 -3.6872 -3.6858 -3.6858 -3.6840 -3.6840 0.1447 0.1447 0.1553 0.1553 0.1675 0.1675 0.1786 0.1786 1.3940 1.3940 1.4247 1.4247 1.4970 1.4970 1.5502 1.5502 2.0970 2.0970 2.1480 2.1480 2.1960 2.1960 2.2362 2.2362 2.9459 2.9459 3.0270 3.0270 3.1333 3.1333 3.1367 3.1367 3.5273 3.5273 3.6732 3.6732 3.7686 3.7686 3.8004 3.8004 4.2037 4.2037 4.2214 4.2214 4.2635 4.2635 4.3095 4.3095 7.4380 7.4380 7.4380 7.4380 7.5430 7.5430 7.5673 7.5673 8.2036 8.2036 8.2768 8.2768 8.3645 8.3645 k = 0.5000 0.2412 0.1269 ( 16076 PWs) bands (ev): -7.6871 -7.6871 -7.6868 -7.6868 -7.6824 -7.6824 -7.6821 -7.6821 -6.6913 -6.6913 -6.6909 -6.6909 -6.6845 -6.6845 -6.6841 -6.6841 -3.6885 -3.6885 -3.6866 -3.6866 -3.6857 -3.6857 -3.6838 -3.6838 0.1512 0.1512 0.1605 0.1605 0.1761 0.1761 0.1860 0.1860 1.3775 1.3775 1.4039 1.4039 1.4870 1.4870 1.5334 1.5334 2.0924 2.0924 2.1392 2.1392 2.1904 2.1904 2.2248 2.2248 2.9683 2.9683 3.0296 3.0296 3.1315 3.1315 3.1408 3.1408 3.5413 3.5413 3.6652 3.6652 3.7561 3.7561 3.7830 3.7830 4.2412 4.2412 4.2618 4.2618 4.2994 4.2994 4.3310 4.3310 7.3965 7.3965 7.3971 7.3971 7.5065 7.5065 7.5280 7.5280 8.2277 8.2277 8.2948 8.2948 8.3931 8.3931 k = 0.5000 0.2412 0.1396 ( 16068 PWs) bands (ev): -7.6871 -7.6871 -7.6868 -7.6868 -7.6821 -7.6821 -7.6819 -7.6819 -6.6918 -6.6918 -6.6914 -6.6914 -6.6845 -6.6845 -6.6842 -6.6842 -3.6880 -3.6880 -3.6859 -3.6859 -3.6856 -3.6856 -3.6835 -3.6835 0.1574 0.1574 0.1653 0.1653 0.1843 0.1843 0.1927 0.1927 1.3627 1.3627 1.3848 1.3848 1.4779 1.4779 1.5171 1.5171 2.0889 2.0889 2.1300 2.1300 2.1848 2.1848 2.2130 2.2130 2.9940 2.9940 3.0362 3.0362 3.1300 3.1300 3.1458 3.1458 3.5540 3.5540 3.6551 3.6551 3.7387 3.7387 3.7608 3.7608 4.2783 4.2783 4.3016 4.3016 4.3342 4.3342 4.3522 4.3522 7.3580 7.3580 7.3591 7.3591 7.4726 7.4726 7.4909 7.4909 8.2516 8.2516 8.3112 8.3112 8.4207 8.4207 k = 0.5000 0.2412 0.1523 ( 16060 PWs) bands (ev): -7.6871 -7.6871 -7.6869 -7.6869 -7.6819 -7.6819 -7.6817 -7.6817 -6.6921 -6.6921 -6.6918 -6.6918 -6.6846 -6.6846 -6.6843 -6.6843 -3.6875 -3.6875 -3.6855 -3.6855 -3.6853 -3.6853 -3.6834 -3.6834 0.1631 0.1631 0.1695 0.1695 0.1917 0.1917 0.1986 0.1986 1.3503 1.3503 1.3679 1.3679 1.4704 1.4704 1.5020 1.5020 2.0868 2.0868 2.1209 2.1209 2.1797 2.1797 2.2019 2.2019 3.0213 3.0213 3.0457 3.0457 3.1280 3.1280 3.1501 3.1501 3.5662 3.5662 3.6452 3.6452 3.7183 3.7183 3.7364 3.7364 4.3127 4.3127 4.3378 4.3378 4.3655 4.3655 4.3718 4.3718 7.3242 7.3242 7.3254 7.3254 7.4427 7.4427 7.4578 7.4578 8.2744 8.2744 8.3248 8.3248 8.4465 8.4465 k = 0.5000 0.2412 0.1650 ( 16084 PWs) bands (ev): -7.6870 -7.6870 -7.6869 -7.6869 -7.6817 -7.6817 -7.6815 -7.6815 -6.6924 -6.6924 -6.6922 -6.6922 -6.6846 -6.6846 -6.6844 -6.6844 -3.6870 -3.6870 -3.6855 -3.6855 -3.6848 -3.6848 -3.6833 -3.6833 0.1680 0.1680 0.1728 0.1728 0.1980 0.1980 0.2033 0.2033 1.3406 1.3406 1.3538 1.3538 1.4649 1.4649 1.4888 1.4888 2.0860 2.0860 2.1123 2.1123 2.1757 2.1757 2.1920 2.1920 3.0482 3.0482 3.0572 3.0572 3.1253 3.1253 3.1517 3.1517 3.5787 3.5787 3.6376 3.6376 3.6966 3.6966 3.7118 3.7118 4.3426 4.3426 4.3671 4.3671 4.3893 4.3893 4.3916 4.3916 7.2962 7.2962 7.2974 7.2974 7.4184 7.4184 7.4299 7.4299 8.2951 8.2951 8.3348 8.3348 8.4692 8.4692 k = 0.5000 0.2412 0.1777 ( 16080 PWs) bands (ev): -7.6870 -7.6870 -7.6869 -7.6869 -7.6815 -7.6815 -7.6814 -7.6814 -6.6926 -6.6926 -6.6925 -6.6925 -6.6846 -6.6846 -6.6844 -6.6844 -3.6866 -3.6866 -3.6856 -3.6856 -3.6843 -3.6843 -3.6833 -3.6833 0.1719 0.1719 0.1752 0.1752 0.2030 0.2030 0.2066 0.2066 1.3340 1.3340 1.3428 1.3428 1.4618 1.4618 1.4778 1.4778 2.0867 2.0867 2.1045 2.1045 2.1733 2.1733 2.1839 2.1839 3.0693 3.0693 3.0724 3.0724 3.1222 3.1222 3.1494 3.1494 3.5924 3.5924 3.6338 3.6338 3.6755 3.6755 3.6890 3.6890 4.3664 4.3664 4.3861 4.3861 4.4053 4.4053 4.4107 4.4107 7.2754 7.2754 7.2763 7.2763 7.4007 7.4007 7.4085 7.4085 8.3129 8.3129 8.3403 8.3403 8.4876 8.4876 k = 0.5000 0.2412 0.1903 ( 16092 PWs) bands (ev): -7.6870 -7.6870 -7.6870 -7.6870 -7.6814 -7.6814 -7.6814 -7.6814 -6.6927 -6.6927 -6.6927 -6.6927 -6.6846 -6.6846 -6.6845 -6.6845 -3.6862 -3.6862 -3.6857 -3.6857 -3.6839 -3.6839 -3.6834 -3.6834 0.1746 0.1746 0.1763 0.1763 0.2065 0.2065 0.2083 0.2083 1.3308 1.3308 1.3352 1.3352 1.4615 1.4615 1.4695 1.4695 2.0889 2.0889 2.0979 2.0979 2.1727 2.1727 2.1779 2.1779 3.0808 3.0808 3.0883 3.0883 3.1223 3.1223 3.1421 3.1421 3.6075 3.6075 3.6320 3.6320 3.6588 3.6588 3.6698 3.6698 4.3833 4.3833 4.3938 4.3938 4.4181 4.4181 4.4217 4.4217 7.2626 7.2626 7.2631 7.2631 7.3905 7.3905 7.3945 7.3945 8.3268 8.3268 8.3409 8.3409 8.5004 8.5004 k = 0.5000 0.2412 0.2030 ( 16088 PWs) bands (ev): -7.6870 -7.6870 -7.6870 -7.6870 -7.6814 -7.6814 -7.6814 -7.6814 -6.6928 -6.6928 -6.6928 -6.6928 -6.6846 -6.6846 -6.6846 -6.6846 -3.6859 -3.6859 -3.6859 -3.6859 -3.6836 -3.6836 -3.6836 -3.6836 0.1761 0.1761 0.1761 0.1761 0.2082 0.2082 0.2082 0.2082 1.3312 1.3312 1.3312 1.3312 1.4640 1.4640 1.4640 1.4640 2.0927 2.0927 2.0927 2.0927 2.1742 2.1742 2.1742 2.1742 3.0891 3.0891 3.0891 3.0891 3.1311 3.1311 3.1311 3.1311 3.6229 3.6229 3.6229 3.6229 3.6573 3.6573 3.6573 3.6573 4.3926 4.3926 4.3926 4.3926 4.4242 4.4242 4.4242 4.4242 7.2585 7.2585 7.2585 7.2585 7.3884 7.3884 7.3884 7.3884 8.3363 8.3363 8.3363 8.3363 8.5064 8.5064 Writing output data file SbSI.save init_run : 4.56s CPU 13.83s WALL ( 1 calls) electrons : 3966.29s CPU 4000.44s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.47s CPU 1.63s WALL ( 1 calls) Called by electrons: c_bands : 3966.26s CPU 3999.61s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.86s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.13s CPU 0.50s WALL ( 1 calls) newd : 1.00s CPU 1.27s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.48s CPU 0.64s WALL ( 308 calls) cegterg : 3812.24s CPU 3841.96s WALL ( 1202 calls) Called by sum_band: Called by *egterg: h_psi : 1591.70s CPU 1609.42s WALL ( 22732 calls) s_psi : 260.03s CPU 260.60s WALL ( 22732 calls) g_psi : 5.07s CPU 5.06s WALL ( 21222 calls) cdiaghg : 1248.64s CPU 1245.08s WALL ( 21530 calls) cegterg:over : 363.25s CPU 358.29s WALL ( 21222 calls) cegterg:upda : 185.67s CPU 191.01s WALL ( 21222 calls) cegterg:last : 102.29s CPU 103.07s WALL ( 2440 calls) Called by h_psi: h_psi:vloc : 1046.53s CPU 1058.43s WALL ( 22732 calls) h_psi:vnl : 538.84s CPU 543.64s WALL ( 22732 calls) add_vuspsi : 228.92s CPU 239.66s WALL ( 22732 calls) General routines calbec : 309.82s CPU 303.76s WALL ( 22732 calls) fft : 0.36s CPU 1.52s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 1001.78s CPU 1010.32s WALL ( 2486028 calls) interpolate : 0.08s CPU 0.08s WALL ( 4 calls) davcio : 0.04s CPU 4.05s WALL ( 616 calls) Parallel routines fft_scatter : 634.65s CPU 634.64s WALL ( 2486051 calls) PWSCF : 1h 8m CPU 1h12m WALL This run was terminated on: 0:28: 4 14Dec2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=