Program PWSCF v.5.1.1 starts on 23Dec2015 at 2:24:25 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 3176 2666 400 Max 51 45 13 3181 2695 413 Sum 2413 2147 611 152519 128679 19477 bravais-lattice index = 14 lattice parameter (alat) = 7.7498 a.u. unit-cell volume = 2400.9266 (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)= 7.749766 celldm(2)= 2.081931 celldm(3)= 2.477688 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 2.081931 0.000000 ) a(3) = ( 0.000000 0.000000 2.477688 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.480323 -0.000000 ) b(3) = ( 0.000000 0.000000 0.403602 ) 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) 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 ) ( 1.2388442 ) isym = 3 180 deg rotation - cart. axis [0,1,0] 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 ) ( -1.0409656 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 1.2388442 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 1.0409656 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group D_2 (222) there are 5 classes and 1 irreducible representations the character table: E -E C2 C2' C2'' -C2 -C2' -C2'' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 C2' -C2' 3 -3 C2'' -C2'' 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 0.0126401 -0.0000000), wk = 0.0032468 k( 43) = ( 0.5000000 0.0252802 -0.0000000), wk = 0.0032468 k( 44) = ( 0.5000000 0.0379203 -0.0000000), wk = 0.0032468 k( 45) = ( 0.5000000 0.0505603 -0.0000000), wk = 0.0032468 k( 46) = ( 0.5000000 0.0632004 -0.0000000), wk = 0.0032468 k( 47) = ( 0.5000000 0.0758405 -0.0000000), wk = 0.0032468 k( 48) = ( 0.5000000 0.0884806 -0.0000000), wk = 0.0032468 k( 49) = ( 0.5000000 0.1011207 -0.0000000), wk = 0.0032468 k( 50) = ( 0.5000000 0.1137608 -0.0000000), wk = 0.0032468 k( 51) = ( 0.5000000 0.1264009 -0.0000000), wk = 0.0032468 k( 52) = ( 0.5000000 0.1390409 -0.0000000), wk = 0.0032468 k( 53) = ( 0.5000000 0.1516810 -0.0000000), wk = 0.0032468 k( 54) = ( 0.5000000 0.1643211 -0.0000000), wk = 0.0032468 k( 55) = ( 0.5000000 0.1769612 -0.0000000), wk = 0.0032468 k( 56) = ( 0.5000000 0.1896013 -0.0000000), wk = 0.0032468 k( 57) = ( 0.5000000 0.2022414 -0.0000000), wk = 0.0032468 k( 58) = ( 0.5000000 0.2148815 -0.0000000), wk = 0.0032468 k( 59) = ( 0.5000000 0.2275215 -0.0000000), wk = 0.0032468 k( 60) = ( 0.5000000 0.2401616 -0.0000000), wk = 0.0032468 k( 61) = ( 0.5000000 0.2401616 -0.0000000), wk = 0.0032468 k( 62) = ( 0.4871795 0.2401616 -0.0000000), wk = 0.0032468 k( 63) = ( 0.4743590 0.2401616 -0.0000000), wk = 0.0032468 k( 64) = ( 0.4615385 0.2401616 -0.0000000), wk = 0.0032468 k( 65) = ( 0.4487179 0.2401616 -0.0000000), wk = 0.0032468 k( 66) = ( 0.4358974 0.2401616 -0.0000000), wk = 0.0032468 k( 67) = ( 0.4230769 0.2401616 -0.0000000), wk = 0.0032468 k( 68) = ( 0.4102564 0.2401616 -0.0000000), wk = 0.0032468 k( 69) = ( 0.3974359 0.2401616 -0.0000000), wk = 0.0032468 k( 70) = ( 0.3846154 0.2401616 -0.0000000), wk = 0.0032468 k( 71) = ( 0.3717949 0.2401616 -0.0000000), wk = 0.0032468 k( 72) = ( 0.3589744 0.2401616 -0.0000000), wk = 0.0032468 k( 73) = ( 0.3461538 0.2401616 -0.0000000), wk = 0.0032468 k( 74) = ( 0.3333333 0.2401616 -0.0000000), wk = 0.0032468 k( 75) = ( 0.3205128 0.2401616 -0.0000000), wk = 0.0032468 k( 76) = ( 0.3076923 0.2401616 -0.0000000), wk = 0.0032468 k( 77) = ( 0.2948718 0.2401616 -0.0000000), wk = 0.0032468 k( 78) = ( 0.2820513 0.2401616 -0.0000000), wk = 0.0032468 k( 79) = ( 0.2692308 0.2401616 -0.0000000), wk = 0.0032468 k( 80) = ( 0.2564103 0.2401616 -0.0000000), wk = 0.0032468 k( 81) = ( 0.2435897 0.2401616 -0.0000000), wk = 0.0032468 k( 82) = ( 0.2307692 0.2401616 -0.0000000), wk = 0.0032468 k( 83) = ( 0.2179487 0.2401616 -0.0000000), wk = 0.0032468 k( 84) = ( 0.2051282 0.2401616 -0.0000000), wk = 0.0032468 k( 85) = ( 0.1923077 0.2401616 -0.0000000), wk = 0.0032468 k( 86) = ( 0.1794872 0.2401616 -0.0000000), wk = 0.0032468 k( 87) = ( 0.1666667 0.2401616 -0.0000000), wk = 0.0032468 k( 88) = ( 0.1538461 0.2401616 -0.0000000), wk = 0.0032468 k( 89) = ( 0.1410256 0.2401616 -0.0000000), wk = 0.0032468 k( 90) = ( 0.1282051 0.2401616 -0.0000000), wk = 0.0032468 k( 91) = ( 0.1153846 0.2401616 -0.0000000), wk = 0.0032468 k( 92) = ( 0.1025641 0.2401616 -0.0000000), wk = 0.0032468 k( 93) = ( 0.0897436 0.2401616 -0.0000000), wk = 0.0032468 k( 94) = ( 0.0769231 0.2401616 -0.0000000), wk = 0.0032468 k( 95) = ( 0.0641026 0.2401616 -0.0000000), wk = 0.0032468 k( 96) = ( 0.0512821 0.2401616 -0.0000000), wk = 0.0032468 k( 97) = ( 0.0384615 0.2401616 -0.0000000), wk = 0.0032468 k( 98) = ( 0.0256410 0.2401616 -0.0000000), wk = 0.0032468 k( 99) = ( 0.0128205 0.2401616 -0.0000000), wk = 0.0032468 k( 100) = ( 0.0000000 0.2401616 -0.0000000), wk = 0.0032468 k( 101) = ( 0.0000000 0.2401616 -0.0000000), wk = 0.0032468 k( 102) = ( 0.0000000 0.2275215 -0.0000000), wk = 0.0032468 k( 103) = ( 0.0000000 0.2148815 -0.0000000), wk = 0.0032468 k( 104) = ( 0.0000000 0.2022414 -0.0000000), wk = 0.0032468 k( 105) = ( 0.0000000 0.1896013 -0.0000000), wk = 0.0032468 k( 106) = ( 0.0000000 0.1769612 -0.0000000), wk = 0.0032468 k( 107) = ( 0.0000000 0.1643211 -0.0000000), wk = 0.0032468 k( 108) = ( 0.0000000 0.1516810 -0.0000000), wk = 0.0032468 k( 109) = ( 0.0000000 0.1390409 -0.0000000), wk = 0.0032468 k( 110) = ( 0.0000000 0.1264009 -0.0000000), wk = 0.0032468 k( 111) = ( 0.0000000 0.1137608 -0.0000000), wk = 0.0032468 k( 112) = ( 0.0000000 0.1011207 -0.0000000), wk = 0.0032468 k( 113) = ( 0.0000000 0.0884806 -0.0000000), wk = 0.0032468 k( 114) = ( 0.0000000 0.0758405 -0.0000000), wk = 0.0032468 k( 115) = ( 0.0000000 0.0632004 -0.0000000), wk = 0.0032468 k( 116) = ( 0.0000000 0.0505603 -0.0000000), wk = 0.0032468 k( 117) = ( 0.0000000 0.0379203 -0.0000000), wk = 0.0032468 k( 118) = ( 0.0000000 0.0252802 -0.0000000), wk = 0.0032468 k( 119) = ( 0.0000000 0.0126401 -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 0.0126126), wk = 0.0032468 k( 123) = ( 0.0000000 0.0000000 0.0252251), wk = 0.0032468 k( 124) = ( 0.0000000 0.0000000 0.0378377), wk = 0.0032468 k( 125) = ( 0.0000000 0.0000000 0.0504503), wk = 0.0032468 k( 126) = ( 0.0000000 0.0000000 0.0630628), wk = 0.0032468 k( 127) = ( 0.0000000 0.0000000 0.0756754), wk = 0.0032468 k( 128) = ( 0.0000000 0.0000000 0.0882879), wk = 0.0032468 k( 129) = ( 0.0000000 0.0000000 0.1009005), wk = 0.0032468 k( 130) = ( 0.0000000 0.0000000 0.1135131), wk = 0.0032468 k( 131) = ( 0.0000000 0.0000000 0.1261256), wk = 0.0032468 k( 132) = ( 0.0000000 0.0000000 0.1387382), wk = 0.0032468 k( 133) = ( 0.0000000 0.0000000 0.1513508), wk = 0.0032468 k( 134) = ( 0.0000000 0.0000000 0.1639633), wk = 0.0032468 k( 135) = ( 0.0000000 0.0000000 0.1765759), wk = 0.0032468 k( 136) = ( 0.0000000 0.0000000 0.1891884), wk = 0.0032468 k( 137) = ( 0.0000000 0.0000000 0.2018010), wk = 0.0032468 k( 138) = ( 0.0000000 0.0000000 0.2018010), wk = 0.0032468 k( 139) = ( 0.0128205 -0.0000000 0.2018010), wk = 0.0032468 k( 140) = ( 0.0256410 -0.0000000 0.2018010), wk = 0.0032468 k( 141) = ( 0.0384615 -0.0000000 0.2018010), wk = 0.0032468 k( 142) = ( 0.0512821 -0.0000000 0.2018010), wk = 0.0032468 k( 143) = ( 0.0641026 -0.0000000 0.2018010), wk = 0.0032468 k( 144) = ( 0.0769231 -0.0000000 0.2018010), wk = 0.0032468 k( 145) = ( 0.0897436 -0.0000000 0.2018010), wk = 0.0032468 k( 146) = ( 0.1025641 -0.0000000 0.2018010), wk = 0.0032468 k( 147) = ( 0.1153846 -0.0000000 0.2018010), wk = 0.0032468 k( 148) = ( 0.1282051 -0.0000000 0.2018010), wk = 0.0032468 k( 149) = ( 0.1410256 -0.0000000 0.2018010), wk = 0.0032468 k( 150) = ( 0.1538461 -0.0000000 0.2018010), wk = 0.0032468 k( 151) = ( 0.1666667 -0.0000000 0.2018010), wk = 0.0032468 k( 152) = ( 0.1794872 -0.0000000 0.2018010), wk = 0.0032468 k( 153) = ( 0.1923077 -0.0000000 0.2018010), wk = 0.0032468 k( 154) = ( 0.2051282 -0.0000000 0.2018010), wk = 0.0032468 k( 155) = ( 0.2179487 -0.0000000 0.2018010), wk = 0.0032468 k( 156) = ( 0.2307692 -0.0000000 0.2018010), wk = 0.0032468 k( 157) = ( 0.2435897 -0.0000000 0.2018010), wk = 0.0032468 k( 158) = ( 0.2564103 -0.0000000 0.2018010), wk = 0.0032468 k( 159) = ( 0.2692308 -0.0000000 0.2018010), wk = 0.0032468 k( 160) = ( 0.2820513 -0.0000000 0.2018010), wk = 0.0032468 k( 161) = ( 0.2948718 -0.0000000 0.2018010), wk = 0.0032468 k( 162) = ( 0.3076923 -0.0000000 0.2018010), wk = 0.0032468 k( 163) = ( 0.3205128 -0.0000000 0.2018010), wk = 0.0032468 k( 164) = ( 0.3333333 -0.0000000 0.2018010), wk = 0.0032468 k( 165) = ( 0.3461538 -0.0000000 0.2018010), wk = 0.0032468 k( 166) = ( 0.3589744 -0.0000000 0.2018010), wk = 0.0032468 k( 167) = ( 0.3717949 -0.0000000 0.2018010), wk = 0.0032468 k( 168) = ( 0.3846154 -0.0000000 0.2018010), wk = 0.0032468 k( 169) = ( 0.3974359 -0.0000000 0.2018010), wk = 0.0032468 k( 170) = ( 0.4102564 -0.0000000 0.2018010), wk = 0.0032468 k( 171) = ( 0.4230769 -0.0000000 0.2018010), wk = 0.0032468 k( 172) = ( 0.4358974 -0.0000000 0.2018010), wk = 0.0032468 k( 173) = ( 0.4487179 -0.0000000 0.2018010), wk = 0.0032468 k( 174) = ( 0.4615385 -0.0000000 0.2018010), wk = 0.0032468 k( 175) = ( 0.4743590 -0.0000000 0.2018010), wk = 0.0032468 k( 176) = ( 0.4871795 -0.0000000 0.2018010), wk = 0.0032468 k( 177) = ( 0.5000000 -0.0000000 0.2018010), wk = 0.0032468 k( 178) = ( 0.5000000 -0.0000000 0.2018010), wk = 0.0032468 k( 179) = ( 0.5000000 0.0126401 0.2018010), wk = 0.0032468 k( 180) = ( 0.5000000 0.0252802 0.2018010), wk = 0.0032468 k( 181) = ( 0.5000000 0.0379203 0.2018010), wk = 0.0032468 k( 182) = ( 0.5000000 0.0505603 0.2018010), wk = 0.0032468 k( 183) = ( 0.5000000 0.0632004 0.2018010), wk = 0.0032468 k( 184) = ( 0.5000000 0.0758405 0.2018010), wk = 0.0032468 k( 185) = ( 0.5000000 0.0884806 0.2018010), wk = 0.0032468 k( 186) = ( 0.5000000 0.1011207 0.2018010), wk = 0.0032468 k( 187) = ( 0.5000000 0.1137608 0.2018010), wk = 0.0032468 k( 188) = ( 0.5000000 0.1264009 0.2018010), wk = 0.0032468 k( 189) = ( 0.5000000 0.1390409 0.2018010), wk = 0.0032468 k( 190) = ( 0.5000000 0.1516810 0.2018010), wk = 0.0032468 k( 191) = ( 0.5000000 0.1643211 0.2018010), wk = 0.0032468 k( 192) = ( 0.5000000 0.1769612 0.2018010), wk = 0.0032468 k( 193) = ( 0.5000000 0.1896013 0.2018010), wk = 0.0032468 k( 194) = ( 0.5000000 0.2022414 0.2018010), wk = 0.0032468 k( 195) = ( 0.5000000 0.2148815 0.2018010), wk = 0.0032468 k( 196) = ( 0.5000000 0.2275215 0.2018010), wk = 0.0032468 k( 197) = ( 0.5000000 0.2401616 0.2018010), wk = 0.0032468 k( 198) = ( 0.5000000 0.2401616 0.2018010), wk = 0.0032468 k( 199) = ( 0.4871795 0.2401616 0.2018010), wk = 0.0032468 k( 200) = ( 0.4743590 0.2401616 0.2018010), wk = 0.0032468 k( 201) = ( 0.4615385 0.2401616 0.2018010), wk = 0.0032468 k( 202) = ( 0.4487179 0.2401616 0.2018010), wk = 0.0032468 k( 203) = ( 0.4358974 0.2401616 0.2018010), wk = 0.0032468 k( 204) = ( 0.4230769 0.2401616 0.2018010), wk = 0.0032468 k( 205) = ( 0.4102564 0.2401616 0.2018010), wk = 0.0032468 k( 206) = ( 0.3974359 0.2401616 0.2018010), wk = 0.0032468 k( 207) = ( 0.3846154 0.2401616 0.2018010), wk = 0.0032468 k( 208) = ( 0.3717949 0.2401616 0.2018010), wk = 0.0032468 k( 209) = ( 0.3589744 0.2401616 0.2018010), wk = 0.0032468 k( 210) = ( 0.3461538 0.2401616 0.2018010), wk = 0.0032468 k( 211) = ( 0.3333333 0.2401616 0.2018010), wk = 0.0032468 k( 212) = ( 0.3205128 0.2401616 0.2018010), wk = 0.0032468 k( 213) = ( 0.3076923 0.2401616 0.2018010), wk = 0.0032468 k( 214) = ( 0.2948718 0.2401616 0.2018010), wk = 0.0032468 k( 215) = ( 0.2820513 0.2401616 0.2018010), wk = 0.0032468 k( 216) = ( 0.2692308 0.2401616 0.2018010), wk = 0.0032468 k( 217) = ( 0.2564103 0.2401616 0.2018010), wk = 0.0032468 k( 218) = ( 0.2435897 0.2401616 0.2018010), wk = 0.0032468 k( 219) = ( 0.2307692 0.2401616 0.2018010), wk = 0.0032468 k( 220) = ( 0.2179487 0.2401616 0.2018010), wk = 0.0032468 k( 221) = ( 0.2051282 0.2401616 0.2018010), wk = 0.0032468 k( 222) = ( 0.1923077 0.2401616 0.2018010), wk = 0.0032468 k( 223) = ( 0.1794872 0.2401616 0.2018010), wk = 0.0032468 k( 224) = ( 0.1666667 0.2401616 0.2018010), wk = 0.0032468 k( 225) = ( 0.1538461 0.2401616 0.2018010), wk = 0.0032468 k( 226) = ( 0.1410256 0.2401616 0.2018010), wk = 0.0032468 k( 227) = ( 0.1282051 0.2401616 0.2018010), wk = 0.0032468 k( 228) = ( 0.1153846 0.2401616 0.2018010), wk = 0.0032468 k( 229) = ( 0.1025641 0.2401616 0.2018010), wk = 0.0032468 k( 230) = ( 0.0897436 0.2401616 0.2018010), wk = 0.0032468 k( 231) = ( 0.0769231 0.2401616 0.2018010), wk = 0.0032468 k( 232) = ( 0.0641026 0.2401616 0.2018010), wk = 0.0032468 k( 233) = ( 0.0512821 0.2401616 0.2018010), wk = 0.0032468 k( 234) = ( 0.0384615 0.2401616 0.2018010), wk = 0.0032468 k( 235) = ( 0.0256410 0.2401616 0.2018010), wk = 0.0032468 k( 236) = ( 0.0128205 0.2401616 0.2018010), wk = 0.0032468 k( 237) = ( 0.0000000 0.2401616 0.2018010), wk = 0.0032468 k( 238) = ( 0.0000000 0.2401616 0.2018010), wk = 0.0032468 k( 239) = ( 0.0000000 0.2275215 0.2018010), wk = 0.0032468 k( 240) = ( 0.0000000 0.2148815 0.2018010), wk = 0.0032468 k( 241) = ( 0.0000000 0.2022414 0.2018010), wk = 0.0032468 k( 242) = ( 0.0000000 0.1896013 0.2018010), wk = 0.0032468 k( 243) = ( 0.0000000 0.1769612 0.2018010), wk = 0.0032468 k( 244) = ( 0.0000000 0.1643211 0.2018010), wk = 0.0032468 k( 245) = ( 0.0000000 0.1516810 0.2018010), wk = 0.0032468 k( 246) = ( 0.0000000 0.1390409 0.2018010), wk = 0.0032468 k( 247) = ( 0.0000000 0.1264009 0.2018010), wk = 0.0032468 k( 248) = ( 0.0000000 0.1137608 0.2018010), wk = 0.0032468 k( 249) = ( 0.0000000 0.1011207 0.2018010), wk = 0.0032468 k( 250) = ( 0.0000000 0.0884806 0.2018010), wk = 0.0032468 k( 251) = ( 0.0000000 0.0758405 0.2018010), wk = 0.0032468 k( 252) = ( 0.0000000 0.0632004 0.2018010), wk = 0.0032468 k( 253) = ( 0.0000000 0.0505603 0.2018010), wk = 0.0032468 k( 254) = ( 0.0000000 0.0379203 0.2018010), wk = 0.0032468 k( 255) = ( 0.0000000 0.0252802 0.2018010), wk = 0.0032468 k( 256) = ( 0.0000000 0.0126401 0.2018010), wk = 0.0032468 k( 257) = ( 0.0000000 0.0000000 0.2018010), wk = 0.0032468 k( 258) = ( 0.0000000 0.2401616 -0.0000000), wk = 0.0032468 k( 259) = ( 0.0000000 0.2401616 0.0126126), wk = 0.0032468 k( 260) = ( 0.0000000 0.2401616 0.0252251), wk = 0.0032468 k( 261) = ( 0.0000000 0.2401616 0.0378377), wk = 0.0032468 k( 262) = ( 0.0000000 0.2401616 0.0504503), wk = 0.0032468 k( 263) = ( 0.0000000 0.2401616 0.0630628), wk = 0.0032468 k( 264) = ( 0.0000000 0.2401616 0.0756754), wk = 0.0032468 k( 265) = ( 0.0000000 0.2401616 0.0882879), wk = 0.0032468 k( 266) = ( 0.0000000 0.2401616 0.1009005), wk = 0.0032468 k( 267) = ( 0.0000000 0.2401616 0.1135131), wk = 0.0032468 k( 268) = ( 0.0000000 0.2401616 0.1261256), wk = 0.0032468 k( 269) = ( 0.0000000 0.2401616 0.1387382), wk = 0.0032468 k( 270) = ( 0.0000000 0.2401616 0.1513508), wk = 0.0032468 k( 271) = ( 0.0000000 0.2401616 0.1639633), wk = 0.0032468 k( 272) = ( 0.0000000 0.2401616 0.1765759), wk = 0.0032468 k( 273) = ( 0.0000000 0.2401616 0.1891884), wk = 0.0032468 k( 274) = ( 0.0000000 0.2401616 0.2018010), wk = 0.0032468 k( 275) = ( 0.5000000 -0.0000000 0.2018010), wk = 0.0032468 k( 276) = ( 0.5000000 -0.0000000 0.1891884), wk = 0.0032468 k( 277) = ( 0.5000000 -0.0000000 0.1765759), wk = 0.0032468 k( 278) = ( 0.5000000 -0.0000000 0.1639633), wk = 0.0032468 k( 279) = ( 0.5000000 -0.0000000 0.1513508), wk = 0.0032468 k( 280) = ( 0.5000000 -0.0000000 0.1387382), wk = 0.0032468 k( 281) = ( 0.5000000 -0.0000000 0.1261256), wk = 0.0032468 k( 282) = ( 0.5000000 -0.0000000 0.1135131), wk = 0.0032468 k( 283) = ( 0.5000000 -0.0000000 0.1009005), wk = 0.0032468 k( 284) = ( 0.5000000 -0.0000000 0.0882879), wk = 0.0032468 k( 285) = ( 0.5000000 -0.0000000 0.0756754), wk = 0.0032468 k( 286) = ( 0.5000000 -0.0000000 0.0630628), wk = 0.0032468 k( 287) = ( 0.5000000 -0.0000000 0.0504503), wk = 0.0032468 k( 288) = ( 0.5000000 -0.0000000 0.0378377), wk = 0.0032468 k( 289) = ( 0.5000000 -0.0000000 0.0252251), wk = 0.0032468 k( 290) = ( 0.5000000 -0.0000000 0.0126126), wk = 0.0032468 k( 291) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0032468 k( 292) = ( 0.5000000 0.2401616 -0.0000000), wk = 0.0032468 k( 293) = ( 0.5000000 0.2401616 0.0126126), wk = 0.0032468 k( 294) = ( 0.5000000 0.2401616 0.0252251), wk = 0.0032468 k( 295) = ( 0.5000000 0.2401616 0.0378377), wk = 0.0032468 k( 296) = ( 0.5000000 0.2401616 0.0504503), wk = 0.0032468 k( 297) = ( 0.5000000 0.2401616 0.0630628), wk = 0.0032468 k( 298) = ( 0.5000000 0.2401616 0.0756754), wk = 0.0032468 k( 299) = ( 0.5000000 0.2401616 0.0882879), wk = 0.0032468 k( 300) = ( 0.5000000 0.2401616 0.1009005), wk = 0.0032468 k( 301) = ( 0.5000000 0.2401616 0.1135131), wk = 0.0032468 k( 302) = ( 0.5000000 0.2401616 0.1261256), wk = 0.0032468 k( 303) = ( 0.5000000 0.2401616 0.1387382), wk = 0.0032468 k( 304) = ( 0.5000000 0.2401616 0.1513508), wk = 0.0032468 k( 305) = ( 0.5000000 0.2401616 0.1639633), wk = 0.0032468 k( 306) = ( 0.5000000 0.2401616 0.1765759), wk = 0.0032468 k( 307) = ( 0.5000000 0.2401616 0.1891884), wk = 0.0032468 k( 308) = ( 0.5000000 0.2401616 0.2018010), 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: 152519 G-vectors FFT dimensions: ( 40, 80, 96) Smooth grid: 128679 G-vectors FFT dimensions: ( 40, 75, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.90 Mb ( 684, 86) NL pseudopotentials 1.75 Mb ( 342, 336) Each V/rho on FFT grid 0.10 Mb ( 6400) Each G-vector array 0.02 Mb ( 3178) G-vector shells 0.01 Mb ( 1614) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 3.59 Mb ( 684, 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 51.4 secs Computing kpt #: 2 total cpu time spent up to now is 62.3 secs Computing kpt #: 3 total cpu time spent up to now is 74.3 secs Computing kpt #: 4 total cpu time spent up to now is 84.0 secs Computing kpt #: 5 total cpu time spent up to now is 93.5 secs Computing kpt #: 6 total cpu time spent up to now is 101.8 secs Computing kpt #: 7 total cpu time spent up to now is 110.1 secs Computing kpt #: 8 total cpu time spent up to now is 118.5 secs Computing kpt #: 9 total cpu time spent up to now is 127.6 secs Computing kpt #: 10 total cpu time spent up to now is 136.3 secs Computing kpt #: 11 total cpu time spent up to now is 145.5 secs Computing kpt #: 12 total cpu time spent up to now is 155.6 secs Computing kpt #: 13 total cpu time spent up to now is 166.3 secs Computing kpt #: 14 total cpu time spent up to now is 176.8 secs Computing kpt #: 15 total cpu time spent up to now is 187.3 secs Computing kpt #: 16 total cpu time spent up to now is 197.7 secs Computing kpt #: 17 total cpu time spent up to now is 208.1 secs Computing kpt #: 18 total cpu time spent up to now is 218.7 secs Computing kpt #: 19 total cpu time spent up to now is 229.9 secs Computing kpt #: 20 total cpu time spent up to now is 240.9 secs Computing kpt #: 21 total cpu time spent up to now is 252.4 secs Computing kpt #: 22 total cpu time spent up to now is 265.0 secs Computing kpt #: 23 total cpu time spent up to now is 276.6 secs Computing kpt #: 24 total cpu time spent up to now is 288.0 secs Computing kpt #: 25 total cpu time spent up to now is 298.9 secs Computing kpt #: 26 total cpu time spent up to now is 309.3 secs Computing kpt #: 27 total cpu time spent up to now is 319.8 secs Computing kpt #: 28 total cpu time spent up to now is 330.2 secs Computing kpt #: 29 total cpu time spent up to now is 339.7 secs Computing kpt #: 30 total cpu time spent up to now is 350.1 secs Computing kpt #: 31 total cpu time spent up to now is 361.5 secs Computing kpt #: 32 total cpu time spent up to now is 373.4 secs Computing kpt #: 33 total cpu time spent up to now is 386.4 secs Computing kpt #: 34 total cpu time spent up to now is 397.9 secs Computing kpt #: 35 total cpu time spent up to now is 409.8 secs Computing kpt #: 36 total cpu time spent up to now is 421.7 secs Computing kpt #: 37 total cpu time spent up to now is 434.6 secs Computing kpt #: 38 total cpu time spent up to now is 447.4 secs Computing kpt #: 39 total cpu time spent up to now is 464.5 secs Computing kpt #: 40 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 482.0 secs Computing kpt #: 41 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 499.3 secs Computing kpt #: 42 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 516.8 secs Computing kpt #: 43 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 534.0 secs Computing kpt #: 44 total cpu time spent up to now is 550.7 secs Computing kpt #: 45 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 568.7 secs Computing kpt #: 46 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 586.2 secs Computing kpt #: 47 total cpu time spent up to now is 601.7 secs Computing kpt #: 48 total cpu time spent up to now is 614.6 secs Computing kpt #: 49 total cpu time spent up to now is 630.0 secs Computing kpt #: 50 total cpu time spent up to now is 642.9 secs Computing kpt #: 51 total cpu time spent up to now is 654.5 secs Computing kpt #: 52 total cpu time spent up to now is 665.9 secs Computing kpt #: 53 total cpu time spent up to now is 678.2 secs Computing kpt #: 54 total cpu time spent up to now is 689.7 secs Computing kpt #: 55 total cpu time spent up to now is 701.0 secs Computing kpt #: 56 total cpu time spent up to now is 712.6 secs Computing kpt #: 57 total cpu time spent up to now is 723.8 secs Computing kpt #: 58 total cpu time spent up to now is 735.3 secs Computing kpt #: 59 total cpu time spent up to now is 747.1 secs Computing kpt #: 60 total cpu time spent up to now is 758.0 secs Computing kpt #: 61 total cpu time spent up to now is 768.8 secs Computing kpt #: 62 total cpu time spent up to now is 783.0 secs Computing kpt #: 63 total cpu time spent up to now is 795.4 secs Computing kpt #: 64 total cpu time spent up to now is 806.8 secs Computing kpt #: 65 total cpu time spent up to now is 818.2 secs Computing kpt #: 66 total cpu time spent up to now is 829.8 secs Computing kpt #: 67 total cpu time spent up to now is 841.2 secs Computing kpt #: 68 total cpu time spent up to now is 852.2 secs Computing kpt #: 69 total cpu time spent up to now is 863.1 secs Computing kpt #: 70 total cpu time spent up to now is 874.3 secs Computing kpt #: 71 total cpu time spent up to now is 886.1 secs Computing kpt #: 72 total cpu time spent up to now is 898.0 secs Computing kpt #: 73 total cpu time spent up to now is 909.7 secs Computing kpt #: 74 total cpu time spent up to now is 924.1 secs Computing kpt #: 75 total cpu time spent up to now is 935.9 secs Computing kpt #: 76 total cpu time spent up to now is 950.7 secs Computing kpt #: 77 total cpu time spent up to now is 963.2 secs Computing kpt #: 78 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 981.3 secs Computing kpt #: 79 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 999.2 secs Computing kpt #: 80 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1017.4 secs Computing kpt #: 81 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1035.1 secs Computing kpt #: 82 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1053.0 secs Computing kpt #: 83 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1070.4 secs Computing kpt #: 84 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1088.1 secs Computing kpt #: 85 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1105.8 secs Computing kpt #: 86 total cpu time spent up to now is 1117.4 secs Computing kpt #: 87 total cpu time spent up to now is 1128.6 secs Computing kpt #: 88 total cpu time spent up to now is 1139.2 secs Computing kpt #: 89 total cpu time spent up to now is 1149.6 secs Computing kpt #: 90 total cpu time spent up to now is 1159.9 secs Computing kpt #: 91 total cpu time spent up to now is 1170.6 secs Computing kpt #: 92 total cpu time spent up to now is 1180.9 secs Computing kpt #: 93 total cpu time spent up to now is 1191.5 secs Computing kpt #: 94 total cpu time spent up to now is 1202.4 secs Computing kpt #: 95 total cpu time spent up to now is 1213.5 secs Computing kpt #: 96 total cpu time spent up to now is 1225.5 secs Computing kpt #: 97 total cpu time spent up to now is 1237.8 secs Computing kpt #: 98 total cpu time spent up to now is 1252.6 secs Computing kpt #: 99 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1269.9 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1287.2 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1304.6 secs Computing kpt #: 102 total cpu time spent up to now is 1316.5 secs Computing kpt #: 103 total cpu time spent up to now is 1327.0 secs Computing kpt #: 104 total cpu time spent up to now is 1337.3 secs Computing kpt #: 105 total cpu time spent up to now is 1346.9 secs Computing kpt #: 106 total cpu time spent up to now is 1356.8 secs Computing kpt #: 107 total cpu time spent up to now is 1365.8 secs Computing kpt #: 108 total cpu time spent up to now is 1375.0 secs Computing kpt #: 109 total cpu time spent up to now is 1384.1 secs Computing kpt #: 110 total cpu time spent up to now is 1393.3 secs Computing kpt #: 111 total cpu time spent up to now is 1402.9 secs Computing kpt #: 112 total cpu time spent up to now is 1412.4 secs Computing kpt #: 113 total cpu time spent up to now is 1422.1 secs Computing kpt #: 114 total cpu time spent up to now is 1431.9 secs Computing kpt #: 115 total cpu time spent up to now is 1442.2 secs Computing kpt #: 116 total cpu time spent up to now is 1452.7 secs Computing kpt #: 117 total cpu time spent up to now is 1463.8 secs Computing kpt #: 118 total cpu time spent up to now is 1474.5 secs Computing kpt #: 119 total cpu time spent up to now is 1485.4 secs Computing kpt #: 120 total cpu time spent up to now is 1496.5 secs Computing kpt #: 121 total cpu time spent up to now is 1507.6 secs Computing kpt #: 122 total cpu time spent up to now is 1518.7 secs Computing kpt #: 123 total cpu time spent up to now is 1529.7 secs Computing kpt #: 124 total cpu time spent up to now is 1540.2 secs Computing kpt #: 125 total cpu time spent up to now is 1551.3 secs Computing kpt #: 126 total cpu time spent up to now is 1561.7 secs Computing kpt #: 127 total cpu time spent up to now is 1571.8 secs Computing kpt #: 128 total cpu time spent up to now is 1582.9 secs Computing kpt #: 129 total cpu time spent up to now is 1592.2 secs Computing kpt #: 130 total cpu time spent up to now is 1601.7 secs Computing kpt #: 131 total cpu time spent up to now is 1611.1 secs Computing kpt #: 132 total cpu time spent up to now is 1620.7 secs Computing kpt #: 133 total cpu time spent up to now is 1630.5 secs Computing kpt #: 134 total cpu time spent up to now is 1640.8 secs Computing kpt #: 135 total cpu time spent up to now is 1651.9 secs Computing kpt #: 136 total cpu time spent up to now is 1664.7 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1682.7 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1699.6 secs Computing kpt #: 139 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1716.4 secs Computing kpt #: 140 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1733.1 secs Computing kpt #: 141 total cpu time spent up to now is 1745.7 secs Computing kpt #: 142 total cpu time spent up to now is 1758.4 secs Computing kpt #: 143 total cpu time spent up to now is 1770.8 secs Computing kpt #: 144 total cpu time spent up to now is 1783.1 secs Computing kpt #: 145 total cpu time spent up to now is 1795.2 secs Computing kpt #: 146 total cpu time spent up to now is 1807.4 secs Computing kpt #: 147 total cpu time spent up to now is 1819.6 secs Computing kpt #: 148 total cpu time spent up to now is 1830.8 secs Computing kpt #: 149 total cpu time spent up to now is 1841.9 secs Computing kpt #: 150 total cpu time spent up to now is 1852.3 secs Computing kpt #: 151 total cpu time spent up to now is 1863.0 secs Computing kpt #: 152 total cpu time spent up to now is 1875.3 secs Computing kpt #: 153 total cpu time spent up to now is 1885.9 secs Computing kpt #: 154 total cpu time spent up to now is 1895.6 secs Computing kpt #: 155 total cpu time spent up to now is 1905.1 secs Computing kpt #: 156 total cpu time spent up to now is 1915.2 secs Computing kpt #: 157 total cpu time spent up to now is 1924.9 secs Computing kpt #: 158 total cpu time spent up to now is 1934.7 secs Computing kpt #: 159 total cpu time spent up to now is 1945.1 secs Computing kpt #: 160 total cpu time spent up to now is 1956.0 secs Computing kpt #: 161 total cpu time spent up to now is 1965.7 secs Computing kpt #: 162 total cpu time spent up to now is 1976.2 secs Computing kpt #: 163 total cpu time spent up to now is 1987.0 secs Computing kpt #: 164 total cpu time spent up to now is 1997.6 secs Computing kpt #: 165 total cpu time spent up to now is 2008.3 secs Computing kpt #: 166 total cpu time spent up to now is 2020.3 secs Computing kpt #: 167 total cpu time spent up to now is 2032.9 secs Computing kpt #: 168 total cpu time spent up to now is 2045.6 secs Computing kpt #: 169 total cpu time spent up to now is 2057.9 secs Computing kpt #: 170 total cpu time spent up to now is 2069.3 secs Computing kpt #: 171 total cpu time spent up to now is 2081.7 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2098.3 secs Computing kpt #: 173 total cpu time spent up to now is 2111.4 secs Computing kpt #: 174 total cpu time spent up to now is 2124.0 secs Computing kpt #: 175 total cpu time spent up to now is 2135.6 secs Computing kpt #: 176 total cpu time spent up to now is 2147.6 secs Computing kpt #: 177 total cpu time spent up to now is 2160.0 secs Computing kpt #: 178 total cpu time spent up to now is 2173.5 secs Computing kpt #: 179 total cpu time spent up to now is 2187.6 secs Computing kpt #: 180 total cpu time spent up to now is 2199.5 secs Computing kpt #: 181 total cpu time spent up to now is 2213.2 secs Computing kpt #: 182 total cpu time spent up to now is 2225.3 secs Computing kpt #: 183 total cpu time spent up to now is 2238.2 secs Computing kpt #: 184 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2256.8 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2274.6 secs Computing kpt #: 186 total cpu time spent up to now is 2290.1 secs Computing kpt #: 187 total cpu time spent up to now is 2303.4 secs Computing kpt #: 188 total cpu time spent up to now is 2316.4 secs Computing kpt #: 189 total cpu time spent up to now is 2329.6 secs Computing kpt #: 190 total cpu time spent up to now is 2343.2 secs Computing kpt #: 191 total cpu time spent up to now is 2356.8 secs Computing kpt #: 192 total cpu time spent up to now is 2370.0 secs Computing kpt #: 193 total cpu time spent up to now is 2383.0 secs Computing kpt #: 194 total cpu time spent up to now is 2399.9 secs Computing kpt #: 195 total cpu time spent up to now is 2413.7 secs Computing kpt #: 196 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2431.6 secs Computing kpt #: 197 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2450.0 secs Computing kpt #: 198 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2467.7 secs Computing kpt #: 199 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2486.5 secs Computing kpt #: 200 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2504.3 secs Computing kpt #: 201 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2521.8 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2541.2 secs Computing kpt #: 203 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2558.6 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2575.6 secs Computing kpt #: 205 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2593.1 secs Computing kpt #: 206 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2610.4 secs Computing kpt #: 207 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2627.6 secs Computing kpt #: 208 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2645.7 secs Computing kpt #: 209 total cpu time spent up to now is 2656.3 secs Computing kpt #: 210 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2673.6 secs Computing kpt #: 211 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2690.6 secs Computing kpt #: 212 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2707.2 secs Computing kpt #: 213 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2724.5 secs Computing kpt #: 214 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2741.8 secs Computing kpt #: 215 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2759.5 secs Computing kpt #: 216 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2777.6 secs Computing kpt #: 217 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2795.1 secs Computing kpt #: 218 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2812.4 secs Computing kpt #: 219 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2829.5 secs Computing kpt #: 220 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2846.6 secs Computing kpt #: 221 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2863.9 secs Computing kpt #: 222 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2881.1 secs Computing kpt #: 223 total cpu time spent up to now is 2897.1 secs Computing kpt #: 224 total cpu time spent up to now is 2909.8 secs Computing kpt #: 225 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2926.6 secs Computing kpt #: 226 total cpu time spent up to now is 2940.2 secs Computing kpt #: 227 total cpu time spent up to now is 2953.1 secs Computing kpt #: 228 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2971.6 secs Computing kpt #: 229 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 2988.5 secs Computing kpt #: 230 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3006.1 secs Computing kpt #: 231 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3023.3 secs Computing kpt #: 232 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3040.3 secs Computing kpt #: 233 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3057.5 secs Computing kpt #: 234 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3075.2 secs Computing kpt #: 235 total cpu time spent up to now is 3087.3 secs Computing kpt #: 236 total cpu time spent up to now is 3098.4 secs Computing kpt #: 237 total cpu time spent up to now is 3106.5 secs Computing kpt #: 238 total cpu time spent up to now is 3114.9 secs Computing kpt #: 239 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3131.8 secs Computing kpt #: 240 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3149.6 secs Computing kpt #: 241 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3166.7 secs Computing kpt #: 242 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3183.8 secs Computing kpt #: 243 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3201.1 secs Computing kpt #: 244 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3218.4 secs Computing kpt #: 245 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3235.7 secs Computing kpt #: 246 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3253.0 secs Computing kpt #: 247 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3270.1 secs Computing kpt #: 248 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3287.7 secs Computing kpt #: 249 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3304.7 secs Computing kpt #: 250 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3322.0 secs Computing kpt #: 251 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3339.1 secs Computing kpt #: 252 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3356.3 secs Computing kpt #: 253 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3375.0 secs Computing kpt #: 254 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3392.2 secs Computing kpt #: 255 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3409.3 secs Computing kpt #: 256 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3427.1 secs Computing kpt #: 257 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3444.2 secs Computing kpt #: 258 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3461.2 secs Computing kpt #: 259 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3478.0 secs Computing kpt #: 260 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3495.2 secs Computing kpt #: 261 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3512.0 secs Computing kpt #: 262 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3529.4 secs Computing kpt #: 263 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3546.2 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3563.0 secs Computing kpt #: 265 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3580.1 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3597.1 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3614.5 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3632.1 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3649.3 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3666.3 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3685.7 secs Computing kpt #: 272 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3702.8 secs Computing kpt #: 273 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3720.2 secs Computing kpt #: 274 total cpu time spent up to now is 3728.7 secs Computing kpt #: 275 total cpu time spent up to now is 3740.9 secs Computing kpt #: 276 total cpu time spent up to now is 3753.8 secs Computing kpt #: 277 total cpu time spent up to now is 3766.4 secs Computing kpt #: 278 total cpu time spent up to now is 3779.1 secs Computing kpt #: 279 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3796.1 secs Computing kpt #: 280 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3813.3 secs Computing kpt #: 281 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3831.8 secs Computing kpt #: 282 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3849.1 secs Computing kpt #: 283 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3865.9 secs Computing kpt #: 284 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3882.6 secs Computing kpt #: 285 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3899.9 secs Computing kpt #: 286 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3916.7 secs Computing kpt #: 287 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3934.4 secs Computing kpt #: 288 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3951.9 secs Computing kpt #: 289 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3969.3 secs Computing kpt #: 290 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3988.5 secs Computing kpt #: 291 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4006.1 secs Computing kpt #: 292 total cpu time spent up to now is 4017.1 secs Computing kpt #: 293 total cpu time spent up to now is 4031.0 secs Computing kpt #: 294 total cpu time spent up to now is 4043.8 secs Computing kpt #: 295 total cpu time spent up to now is 4057.0 secs Computing kpt #: 296 total cpu time spent up to now is 4070.2 secs Computing kpt #: 297 total cpu time spent up to now is 4083.3 secs Computing kpt #: 298 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4100.3 secs Computing kpt #: 299 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4117.4 secs Computing kpt #: 300 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4135.3 secs Computing kpt #: 301 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4152.8 secs Computing kpt #: 302 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4170.6 secs Computing kpt #: 303 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4188.7 secs Computing kpt #: 304 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4207.0 secs Computing kpt #: 305 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4225.1 secs Computing kpt #: 306 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 4243.0 secs Computing kpt #: 307 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4260.6 secs Computing kpt #: 308 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4279.6 secs ethr = 1.39E-11, avg # of iterations = 77.8 total cpu time spent up to now is 4279.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 16039 PWs) bands (ev): -9.0432 -9.0432 -8.7877 -8.7877 -7.4701 -7.4701 -7.2009 -7.2009 -7.0915 -7.0915 -6.9838 -6.9838 -6.9836 -6.9836 -6.9021 -6.9021 -4.1734 -4.1734 -3.5477 -3.5477 -2.5409 -2.5409 -1.9033 -1.9033 0.5754 0.5754 0.8171 0.8171 1.2086 1.2086 1.4261 1.4261 1.4894 1.4894 1.6721 1.6721 1.8606 1.8606 1.8983 1.8983 2.8271 2.8271 2.9674 2.9674 3.0658 3.0658 3.0809 3.0809 3.1984 3.1984 3.3283 3.3283 3.4826 3.4826 3.6863 3.6863 3.7092 3.7092 3.9998 3.9998 4.0678 4.0678 4.1012 4.1012 4.1612 4.1612 4.4097 4.4097 4.4814 4.4814 5.0696 5.0696 6.3770 6.3770 6.8551 6.8551 6.9697 6.9697 7.0961 7.0961 7.4983 7.4983 7.6382 7.6382 7.9320 7.9320 k = 0.0128-0.0000-0.0000 ( 16039 PWs) bands (ev): -9.0421 -9.0421 -8.7867 -8.7867 -7.4696 -7.4696 -7.2004 -7.2004 -7.0911 -7.0911 -6.9836 -6.9836 -6.9832 -6.9831 -6.9019 -6.9019 -4.1740 -4.1740 -3.5486 -3.5486 -2.5414 -2.5414 -1.9046 -1.9046 0.5760 0.5760 0.8166 0.8166 1.2035 1.2042 1.4121 1.4155 1.4917 1.4949 1.6689 1.6694 1.8597 1.8605 1.9088 1.9091 2.8267 2.8268 2.9623 2.9641 3.0533 3.0617 3.0747 3.0810 3.1949 3.1954 3.3156 3.3194 3.4744 3.4830 3.6708 3.6753 3.7228 3.7318 3.9968 3.9977 4.0667 4.0726 4.0962 4.1070 4.1661 4.1715 4.4122 4.4139 4.4866 4.4866 5.0709 5.0711 6.3791 6.3797 6.8572 6.8575 6.9715 6.9716 7.0938 7.0945 7.5030 7.5032 7.6347 7.6367 7.9144 7.9165 k = 0.0256-0.0000-0.0000 ( 16049 PWs) bands (ev): -9.0390 -9.0390 -8.7837 -8.7837 -7.4680 -7.4680 -7.1990 -7.1990 -7.0897 -7.0897 -6.9831 -6.9831 -6.9818 -6.9818 -6.9011 -6.9011 -4.1757 -4.1757 -3.5514 -3.5514 -2.5429 -2.5429 -1.9086 -1.9086 0.5776 0.5777 0.8152 0.8153 1.1891 1.1904 1.3789 1.3833 1.4998 1.5038 1.6626 1.6633 1.8579 1.8589 1.9365 1.9373 2.8250 2.8250 2.9484 2.9515 3.0261 3.0365 3.0692 3.0749 3.1814 3.1822 3.2896 3.2959 3.4600 3.4732 3.6550 3.6576 3.7509 3.7606 3.9896 3.9919 4.0688 4.0733 4.1017 4.1110 4.1866 4.1927 4.4219 4.4246 4.5020 4.5022 5.0751 5.0755 6.3860 6.3872 6.8637 6.8644 6.9768 6.9768 7.0880 7.0895 7.5167 7.5167 7.6264 7.6310 7.8779 7.8821 k = 0.0385-0.0000-0.0000 ( 16061 PWs) bands (ev): -9.0338 -9.0338 -8.7787 -8.7787 -7.4653 -7.4653 -7.1965 -7.1965 -7.0873 -7.0873 -6.9822 -6.9822 -6.9796 -6.9796 -6.8998 -6.8997 -4.1786 -4.1786 -3.5561 -3.5561 -2.5455 -2.5455 -1.9152 -1.9152 0.5803 0.5805 0.8129 0.8129 1.1666 1.1684 1.3317 1.3359 1.5100 1.5138 1.6574 1.6582 1.8550 1.8562 1.9743 1.9754 2.8191 2.8194 2.9257 2.9287 2.9856 2.9964 3.0632 3.0665 3.1481 3.1524 3.2664 3.2744 3.4393 3.4533 3.6403 3.6417 3.7778 3.7865 3.9804 3.9844 4.0703 4.0706 4.1158 4.1172 4.2171 4.2216 4.4389 4.4421 4.5277 4.5281 5.0820 5.0825 6.3975 6.3992 6.8742 6.8751 6.9842 6.9846 7.0799 7.0826 7.5349 7.5360 7.6152 7.6239 7.8387 7.8454 k = 0.0513-0.0000-0.0000 ( 16071 PWs) bands (ev): -9.0266 -9.0266 -8.7717 -8.7717 -7.4616 -7.4616 -7.1932 -7.1932 -7.0841 -7.0841 -6.9810 -6.9810 -6.9765 -6.9765 -6.8980 -6.8979 -4.1825 -4.1825 -3.5625 -3.5625 -2.5492 -2.5492 -1.9245 -1.9245 0.5841 0.5843 0.8094 0.8094 1.1372 1.1394 1.2742 1.2782 1.5212 1.5246 1.6550 1.6558 1.8510 1.8525 2.0163 2.0177 2.8038 2.8047 2.8951 2.8964 2.9355 2.9463 3.0569 3.0577 3.0968 3.1053 3.2539 3.2625 3.4131 3.4261 3.6246 3.6256 3.7963 3.8036 3.9719 3.9780 4.0705 4.0725 4.1259 4.1299 4.2527 4.2555 4.4630 4.4661 4.5628 4.5636 5.0912 5.0919 6.4132 6.4155 6.8879 6.8890 6.9916 6.9929 7.0721 7.0763 7.5455 7.5482 7.6120 7.6261 7.8046 7.8149 k = 0.0641-0.0000-0.0000 ( 16074 PWs) bands (ev): -9.0173 -9.0173 -8.7627 -8.7627 -7.4569 -7.4569 -7.1888 -7.1888 -7.0799 -7.0799 -6.9796 -6.9796 -6.9726 -6.9725 -6.8957 -6.8957 -4.1875 -4.1875 -3.5708 -3.5708 -2.5540 -2.5540 -1.9366 -1.9365 0.5890 0.5892 0.8047 0.8048 1.1023 1.1049 1.2101 1.2139 1.5332 1.5362 1.6552 1.6560 1.8460 1.8478 2.0590 2.0606 2.7727 2.7731 2.8563 2.8571 2.8816 2.8926 3.0353 3.0389 3.0547 3.0615 3.2477 3.2556 3.3834 3.3948 3.6064 3.6073 3.7999 3.8064 3.9678 3.9755 4.0772 4.0780 4.1353 4.1411 4.2897 4.2916 4.4931 4.4958 4.6058 4.6067 5.1024 5.1032 6.4328 6.4355 6.9039 6.9051 6.9955 6.9983 7.0681 7.0741 7.5345 7.5350 7.6337 7.6504 7.7807 7.7958 k = 0.0769-0.0000-0.0000 ( 16076 PWs) bands (ev): -9.0059 -9.0059 -8.7518 -8.7518 -7.4512 -7.4512 -7.1836 -7.1836 -7.0750 -7.0750 -6.9778 -6.9778 -6.9678 -6.9678 -6.8931 -6.8930 -4.1935 -4.1935 -3.5808 -3.5808 -2.5601 -2.5600 -1.9515 -1.9514 0.5948 0.5951 0.7986 0.7987 1.0631 1.0661 1.1418 1.1455 1.5455 1.5483 1.6577 1.6584 1.8400 1.8421 2.1003 2.1021 2.7202 2.7233 2.8043 2.8066 2.8325 2.8414 2.9844 2.9917 3.0468 3.0487 3.2426 3.2492 3.3524 3.3623 3.5849 3.5860 3.7863 3.7927 3.9699 3.9782 4.0892 4.0910 4.1444 4.1499 4.3257 4.3273 4.5273 4.5296 4.6539 4.6549 5.1154 5.1162 6.4559 6.4590 6.9212 6.9222 6.9936 6.9973 7.0709 7.0778 7.5078 7.5095 7.6671 7.6873 7.7717 7.7927 k = 0.0897-0.0000-0.0000 ( 16076 PWs) bands (ev): -8.9926 -8.9926 -8.7389 -8.7389 -7.4446 -7.4446 -7.1774 -7.1774 -7.0692 -7.0692 -6.9759 -6.9759 -6.9622 -6.9622 -6.8900 -6.8899 -4.2004 -4.2003 -3.5924 -3.5924 -2.5674 -2.5674 -1.9692 -1.9691 0.6014 0.6018 0.7908 0.7910 1.0208 1.0244 1.0714 1.0754 1.5580 1.5607 1.6620 1.6626 1.8328 1.8353 2.1388 2.1407 2.6517 2.6593 2.7425 2.7458 2.7847 2.7872 2.9427 2.9472 3.0387 3.0395 3.2360 3.2407 3.3226 3.3307 3.5608 3.5619 3.7587 3.7652 3.9763 3.9845 4.1049 4.1099 4.1541 4.1577 4.3594 4.3610 4.5633 4.5650 4.7044 4.7052 5.1297 5.1305 6.4822 6.4856 6.9388 6.9393 6.9871 6.9914 7.0781 7.0849 7.4792 7.4820 7.6983 7.7195 7.7870 7.8105 k = 0.1026-0.0000-0.0000 ( 16066 PWs) bands (ev): -8.9771 -8.9771 -8.7240 -8.7240 -7.4371 -7.4371 -7.1704 -7.1704 -7.0628 -7.0628 -6.9739 -6.9739 -6.9559 -6.9558 -6.8866 -6.8866 -4.2080 -4.2079 -3.6056 -3.6056 -2.5762 -2.5761 -1.9899 -1.9898 0.6086 0.6090 0.7810 0.7813 0.9764 0.9808 1.0005 1.0053 1.5703 1.5731 1.6677 1.6681 1.8241 1.8270 2.1731 2.1751 2.5753 2.5867 2.6769 2.6809 2.7277 2.7316 2.9081 2.9083 3.0279 3.0283 3.2258 3.2280 3.2958 3.3022 3.5354 3.5364 3.7220 3.7287 3.9839 3.9913 4.1224 4.1308 4.1656 4.1665 4.3909 4.3924 4.5984 4.5997 4.7543 4.7550 5.1449 5.1457 6.5115 6.5151 6.9549 6.9558 6.9793 6.9846 7.0841 7.0900 7.4568 7.4595 7.7243 7.7403 7.8292 7.8483 k = 0.1154-0.0000-0.0000 ( 16078 PWs) bands (ev): -8.9597 -8.9597 -8.7072 -8.7072 -7.4288 -7.4288 -7.1626 -7.1626 -7.0559 -7.0558 -6.9718 -6.9717 -6.9488 -6.9487 -6.8830 -6.8829 -4.2163 -4.2162 -3.6203 -3.6203 -2.5864 -2.5864 -2.0136 -2.0135 0.6158 0.6163 0.7687 0.7694 0.9280 0.9307 0.9367 0.9400 1.5820 1.5848 1.6748 1.6749 1.8137 1.8171 2.2010 2.2029 2.4974 2.5115 2.6098 2.6150 2.6672 2.6755 2.8709 2.8742 3.0133 3.0135 3.2105 3.2106 3.2729 3.2776 3.5106 3.5115 3.6803 3.6871 3.9900 3.9965 4.1392 4.1500 4.1779 4.1793 4.4205 4.4219 4.6301 4.6309 4.8013 4.8019 5.1605 5.1614 6.5436 6.5475 6.9656 6.9698 6.9742 6.9824 7.0845 7.0892 7.4460 7.4479 7.7508 7.7623 7.8824 7.8973 k = 0.1282-0.0000-0.0000 ( 16078 PWs) bands (ev): -8.9403 -8.9403 -8.6886 -8.6885 -7.4197 -7.4197 -7.1540 -7.1540 -7.0485 -7.0484 -6.9695 -6.9695 -6.9410 -6.9409 -6.8792 -6.8791 -4.2251 -4.2250 -3.6364 -3.6363 -2.5983 -2.5982 -2.0404 -2.0403 0.6219 0.6225 0.7533 0.7547 0.8636 0.8668 0.8911 0.8932 1.5921 1.5951 1.6829 1.6832 1.8012 1.8049 2.2175 2.2183 2.4257 2.4414 2.5438 2.5510 2.6090 2.6195 2.8314 2.8374 2.9939 2.9939 3.1895 3.1911 3.2524 3.2564 3.4883 3.4888 3.6364 3.6432 3.9929 3.9983 4.1539 4.1653 4.1922 4.1942 4.4491 4.4501 4.6565 4.6570 4.8436 4.8440 5.1758 5.1766 6.5785 6.5825 6.9648 6.9654 6.9883 6.9911 7.0787 7.0819 7.4499 7.4506 7.7829 7.7918 7.9359 7.9484 k = 0.1410-0.0000-0.0000 ( 16086 PWs) bands (ev): -8.9189 -8.9189 -8.6680 -8.6680 -7.4099 -7.4099 -7.1446 -7.1446 -7.0409 -7.0409 -6.9671 -6.9671 -6.9326 -6.9325 -6.8753 -6.8752 -4.2342 -4.2341 -3.6536 -3.6536 -2.6119 -2.6118 -2.0703 -2.0702 0.6235 0.6243 0.7350 0.7376 0.8020 0.8071 0.8489 0.8518 1.5996 1.6027 1.6919 1.6932 1.7864 1.7901 2.2082 2.2110 2.3729 2.3880 2.4834 2.4938 2.5545 2.5659 2.7882 2.7962 2.9687 2.9688 3.1676 3.1695 3.2323 3.2363 3.4695 3.4697 3.5923 3.5991 3.9916 3.9962 4.1662 4.1770 4.2064 4.2081 4.4770 4.4778 4.6761 4.6764 4.8798 4.8801 5.1896 5.1905 6.6162 6.6203 6.9570 6.9597 7.0038 7.0039 7.0716 7.0730 7.4671 7.4676 7.8222 7.8299 7.9832 7.9941 k = 0.1538-0.0000-0.0000 ( 16080 PWs) bands (ev): -8.8956 -8.8956 -8.6456 -8.6456 -7.3996 -7.3996 -7.1346 -7.1346 -7.0335 -7.0335 -6.9644 -6.9644 -6.9235 -6.9234 -6.8714 -6.8712 -4.2435 -4.2434 -3.6719 -3.6719 -2.6274 -2.6273 -2.1033 -2.1032 0.6128 0.6140 0.7175 0.7211 0.7497 0.7562 0.8113 0.8141 1.6029 1.6060 1.7015 1.7042 1.7697 1.7726 2.1632 2.1714 2.3431 2.3556 2.4381 2.4522 2.5045 2.5158 2.7412 2.7510 2.9378 2.9380 3.1465 3.1482 3.2114 3.2159 3.4539 3.4541 3.5493 3.5563 3.9863 3.9901 4.1752 4.1858 4.2172 4.2189 4.5045 4.5050 4.6886 4.6887 4.9093 4.9095 5.2009 5.2018 6.6562 6.6603 6.9450 6.9486 7.0177 7.0204 7.0705 7.0714 7.4950 7.4966 7.8682 7.8756 8.0179 8.0276 k = 0.1667-0.0000-0.0000 ( 16094 PWs) bands (ev): -8.8703 -8.8703 -8.6214 -8.6214 -7.3887 -7.3887 -7.1239 -7.1239 -7.0268 -7.0267 -6.9612 -6.9611 -6.9139 -6.9138 -6.8675 -6.8674 -4.2527 -4.2526 -3.6911 -3.6911 -2.6448 -2.6447 -2.1396 -2.1395 0.5812 0.5828 0.7056 0.7081 0.7139 0.7141 0.7801 0.7821 1.6005 1.6030 1.7074 1.7134 1.7551 1.7552 2.0990 2.1110 2.3137 2.3217 2.4204 2.4365 2.4610 2.4705 2.6911 2.7026 2.9015 2.9018 3.1272 3.1284 3.1895 3.1947 3.4400 3.4405 3.5092 3.5167 3.9774 3.9806 4.1804 4.1914 4.2225 4.2247 4.5315 4.5318 4.6937 4.6938 4.9317 4.9317 5.2083 5.2093 6.6977 6.7019 6.9285 6.9322 7.0343 7.0387 7.0798 7.0826 7.5313 7.5339 7.9186 7.9266 8.0378 8.0465 k = 0.1795-0.0000-0.0000 ( 16084 PWs) bands (ev): -8.8432 -8.8432 -8.5954 -8.5954 -7.3775 -7.3775 -7.1126 -7.1126 -7.0214 -7.0213 -6.9570 -6.9569 -6.9038 -6.9038 -6.8638 -6.8636 -4.2616 -4.2615 -3.7109 -3.7109 -2.6643 -2.6642 -2.1791 -2.1790 0.5333 0.5350 0.6691 0.6748 0.7041 0.7091 0.7596 0.7600 1.5905 1.5917 1.6976 1.7057 1.7517 1.7544 2.0317 2.0460 2.2777 2.2812 2.4061 2.4237 2.4400 2.4471 2.6392 2.6527 2.8611 2.8616 3.1103 3.1108 3.1669 3.1727 3.4235 3.4243 3.4762 3.4841 3.9654 3.9682 4.1809 4.1930 4.2212 4.2248 4.5572 4.5574 4.6918 4.6920 4.9469 4.9471 5.2108 5.2119 6.7381 6.7422 6.9129 6.9164 7.0553 7.0603 7.1006 7.1042 7.5738 7.5772 7.9664 7.9758 8.0513 8.0594 k = 0.1923-0.0000-0.0000 ( 16078 PWs) bands (ev): -8.8142 -8.8142 -8.5677 -8.5677 -7.3661 -7.3661 -7.1008 -7.1008 -7.0180 -7.0179 -6.9514 -6.9513 -6.8933 -6.8932 -6.8603 -6.8601 -4.2699 -4.2699 -3.7311 -3.7311 -2.6859 -2.6858 -2.2217 -2.2216 0.4791 0.4805 0.6331 0.6376 0.6908 0.6953 0.7564 0.7564 1.5707 1.5713 1.6710 1.6771 1.7655 1.7673 1.9700 1.9858 2.2426 2.2432 2.3723 2.3872 2.4480 2.4587 2.5877 2.6040 2.8183 2.8189 3.0957 3.0957 3.1439 3.1501 3.3982 3.3983 3.4564 3.4635 3.9509 3.9534 4.1760 4.1899 4.2134 4.2191 4.5805 4.5806 4.6835 4.6839 4.9552 4.9556 5.2076 5.2088 6.7706 6.7748 6.9087 6.9121 7.0810 7.0858 7.1306 7.1341 7.6207 7.6250 7.9946 8.0022 8.0842 8.0886 k = 0.2051-0.0000-0.0000 ( 16080 PWs) bands (ev): -8.7834 -8.7834 -8.5383 -8.5382 -7.3546 -7.3546 -7.0886 -7.0886 -7.0172 -7.0171 -6.9440 -6.9439 -6.8825 -6.8824 -6.8572 -6.8569 -4.2775 -4.2774 -3.7515 -3.7515 -2.7098 -2.7097 -2.2674 -2.2673 0.4236 0.4247 0.5980 0.6016 0.6675 0.6711 0.7671 0.7675 1.5401 1.5426 1.6338 1.6376 1.7844 1.7853 1.9190 1.9357 2.2109 2.2125 2.3373 2.3515 2.4564 2.4698 2.5422 2.5618 2.7754 2.7759 3.0830 3.0835 3.1206 3.1272 3.3637 3.3651 3.4475 3.4535 3.9342 3.9365 4.1653 4.1809 4.2002 4.2080 4.6002 4.6002 4.6697 4.6705 4.9571 4.9578 5.1984 5.1996 6.7859 6.7901 6.9280 6.9312 7.1111 7.1155 7.1678 7.1708 7.6710 7.6761 7.9985 8.0037 8.1420 8.1420 k = 0.2179-0.0000-0.0000 ( 16076 PWs) bands (ev): -8.7508 -8.7508 -8.5072 -8.5072 -7.3431 -7.3431 -7.0760 -7.0759 -7.0193 -7.0191 -6.9350 -6.9347 -6.8714 -6.8712 -6.8544 -6.8541 -4.2839 -4.2838 -3.7718 -3.7717 -2.7360 -2.7360 -2.3161 -2.3160 0.3688 0.3697 0.5643 0.5672 0.6396 0.6426 0.7841 0.7849 1.5019 1.5058 1.5867 1.5886 1.8049 1.8052 1.8813 1.8988 2.1848 2.1883 2.3023 2.3159 2.4506 2.4601 2.5207 2.5370 2.7349 2.7353 3.0722 3.0731 3.0976 3.1045 3.3264 3.3284 3.4433 3.4486 3.9156 3.9178 4.1486 4.1642 4.1841 4.1923 4.6143 4.6152 4.6511 4.6531 4.9532 4.9540 5.1831 5.1844 6.7869 6.7909 6.9694 6.9726 7.1450 7.1490 7.2108 7.2133 7.7235 7.7298 7.9938 7.9989 8.2054 8.2080 k = 0.2308-0.0000-0.0000 ( 16088 PWs) bands (ev): -8.7164 -8.7164 -8.4745 -8.4745 -7.3319 -7.3319 -7.0630 -7.0630 -7.0242 -7.0240 -6.9245 -6.9242 -6.8603 -6.8601 -6.8518 -6.8516 -4.2889 -4.2889 -3.7916 -3.7916 -2.7646 -2.7645 -2.3677 -2.3676 0.3157 0.3165 0.5323 0.5348 0.6090 0.6116 0.8044 0.8054 1.4588 1.4636 1.5311 1.5316 1.8246 1.8250 1.8576 1.8756 2.1644 2.1694 2.2656 2.2783 2.4257 2.4270 2.5257 2.5337 2.6999 2.7003 3.0608 3.0615 3.0778 3.0843 3.2884 3.2907 3.4410 3.4459 3.8954 3.8974 4.1263 4.1399 4.1662 4.1727 4.6175 4.6229 4.6302 4.6369 4.9437 4.9449 5.1621 5.1635 6.7845 6.7882 7.0223 7.0256 7.1820 7.1859 7.2583 7.2605 7.7770 7.7849 7.9886 7.9945 8.2711 8.2759 k = 0.2436-0.0000-0.0000 ( 16076 PWs) bands (ev): -8.6804 -8.6804 -8.4403 -8.4403 -7.3212 -7.3212 -7.0499 -7.0498 -7.0318 -7.0317 -6.9129 -6.9125 -6.8520 -6.8515 -6.8468 -6.8468 -4.2923 -4.2922 -3.8107 -3.8107 -2.7955 -2.7955 -2.4221 -2.4220 0.2649 0.2655 0.5021 0.5045 0.5764 0.5787 0.8268 0.8281 1.4134 1.4185 1.4696 1.4699 1.8316 1.8370 1.8569 1.8689 2.1488 2.1550 2.2259 2.2373 2.3928 2.3945 2.5332 2.5375 2.6747 2.6751 3.0420 3.0437 3.0677 3.0715 3.2506 3.2531 3.4395 3.4441 3.8736 3.8754 4.0993 4.1099 4.1457 4.1496 4.5979 4.6006 4.6298 4.6342 4.9292 4.9307 5.1362 5.1376 6.7849 6.7885 7.0801 7.0836 7.2217 7.2256 7.3092 7.3110 7.8298 7.8397 7.9864 7.9941 8.3353 8.3428 k = 0.2564-0.0000-0.0000 ( 16058 PWs) bands (ev): -8.6427 -8.6427 -8.4047 -8.4046 -7.3111 -7.3111 -7.0422 -7.0420 -7.0366 -7.0365 -6.9005 -6.9000 -6.8501 -6.8495 -6.8361 -6.8360 -4.2937 -4.2936 -3.8288 -3.8288 -2.8288 -2.8288 -2.4791 -2.4790 0.2165 0.2170 0.4738 0.4761 0.5421 0.5445 0.8505 0.8520 1.3672 1.3719 1.4068 1.4072 1.8238 1.8351 1.8765 1.8824 2.1365 2.1434 2.1840 2.1939 2.3619 2.3638 2.5353 2.5385 2.6627 2.6636 3.0182 3.0210 3.0633 3.0655 3.2139 3.2162 3.4382 3.4425 3.8503 3.8519 4.0689 4.0762 4.1224 4.1234 4.5691 4.5707 4.6282 4.6317 4.9099 4.9117 5.1060 5.1074 6.7906 6.7940 7.1394 7.1431 7.2634 7.2676 7.3623 7.3640 7.8779 7.8904 7.9918 8.0020 8.3946 8.4055 k = 0.2692-0.0000-0.0000 ( 16074 PWs) bands (ev): -8.6034 -8.6034 -8.3676 -8.3675 -7.3021 -7.3021 -7.0552 -7.0550 -7.0232 -7.0232 -6.8877 -6.8871 -6.8494 -6.8486 -6.8246 -6.8245 -4.2928 -4.2927 -3.8456 -3.8455 -2.8644 -2.8643 -2.5385 -2.5384 0.1707 0.1712 0.4467 0.4491 0.5071 0.5095 0.8746 0.8765 1.3186 1.3216 1.3491 1.3501 1.8169 1.8294 1.8979 1.9023 2.1230 2.1288 2.1451 2.1550 2.3331 2.3339 2.5324 2.5359 2.6636 2.6654 2.9936 2.9966 3.0599 3.0612 3.1800 3.1818 3.4365 3.4407 3.8253 3.8266 4.0365 4.0403 4.0947 4.0967 4.5363 4.5376 4.6216 4.6248 4.8861 4.8883 5.0725 5.0738 6.8025 6.8057 7.1979 7.2019 7.3068 7.3114 7.4167 7.4182 7.9145 7.9274 8.0147 8.0251 8.4433 8.4580 k = 0.2821-0.0000-0.0000 ( 16084 PWs) bands (ev): -8.5625 -8.5625 -8.3291 -8.3291 -7.2943 -7.2943 -7.0710 -7.0708 -7.0098 -7.0098 -6.8749 -6.8738 -6.8493 -6.8481 -6.8131 -6.8130 -4.2894 -4.2893 -3.8606 -3.8606 -2.9021 -2.9021 -2.6000 -2.6000 0.1276 0.1280 0.4195 0.4220 0.4728 0.4754 0.8979 0.9001 1.2644 1.2655 1.3030 1.3058 1.8109 1.8234 1.9183 1.9224 2.0909 2.0948 2.1275 2.1381 2.3048 2.3055 2.5290 2.5331 2.6730 2.6757 2.9692 2.9718 3.0542 3.0542 3.1522 3.1527 3.4343 3.4383 3.7987 3.7996 4.0030 4.0033 4.0645 4.0694 4.5006 4.5016 4.6106 4.6137 4.8579 4.8605 5.0366 5.0377 6.8204 6.8234 7.2538 7.2581 7.3514 7.3566 7.4712 7.4727 7.9369 7.9462 8.0594 8.0661 8.4747 8.4893 k = 0.2949-0.0000-0.0000 ( 16096 PWs) bands (ev): -8.5202 -8.5202 -8.2895 -8.2894 -7.2880 -7.2880 -7.0895 -7.0893 -6.9966 -6.9965 -6.8628 -6.8606 -6.8495 -6.8472 -6.8018 -6.8017 -4.2833 -4.2831 -3.8737 -3.8737 -2.9419 -2.9419 -2.6636 -2.6635 0.0872 0.0876 0.3897 0.3921 0.4423 0.4447 0.9177 0.9203 1.2108 1.2114 1.2673 1.2705 1.8049 1.8167 1.9360 1.9400 2.0528 2.0548 2.1196 2.1304 2.2778 2.2799 2.5283 2.5329 2.6862 2.6899 2.9457 2.9475 3.0398 3.0413 3.1343 3.1354 3.4310 3.4348 3.7704 3.7708 3.9661 3.9692 4.0337 4.0414 4.4622 4.4632 4.5960 4.5990 4.8256 4.8287 4.9991 5.0000 6.8441 6.8468 7.3056 7.3101 7.3970 7.4027 7.5248 7.5262 7.9520 7.9580 8.1149 8.1182 8.4883 8.4993 k = 0.3077-0.0000-0.0000 ( 16094 PWs) bands (ev): -8.4765 -8.4765 -8.2486 -8.2486 -7.2837 -7.2836 -7.1107 -7.1106 -6.9835 -6.9835 -6.8553 -6.8521 -6.8454 -6.8421 -6.7907 -6.7906 -4.2741 -4.2740 -3.8846 -3.8845 -2.9837 -2.9836 -2.7288 -2.7287 0.0497 0.0500 0.3551 0.3571 0.4180 0.4201 0.9286 0.9318 1.1675 1.1683 1.2389 1.2421 1.7978 1.8083 1.9482 1.9518 2.0194 2.0206 2.1108 2.1222 2.2557 2.2593 2.5308 2.5359 2.7000 2.7048 2.9236 2.9242 3.0175 3.0197 3.1287 3.1311 3.4265 3.4301 3.7403 3.7403 3.9296 3.9359 4.0036 4.0139 4.4217 4.4226 4.5786 4.5813 4.7896 4.7932 4.9607 4.9613 6.8729 6.8754 7.3524 7.3570 7.4428 7.4489 7.5762 7.5777 7.9663 7.9702 8.1739 8.1749 8.4906 8.4986 k = 0.3205-0.0000-0.0000 ( 16100 PWs) bands (ev): -8.4314 -8.4314 -8.2067 -8.2066 -7.2816 -7.2815 -7.1348 -7.1346 -6.9708 -6.9707 -6.8541 -6.8526 -6.8327 -6.8311 -6.7800 -6.7799 -4.2618 -4.2617 -3.8928 -3.8928 -3.0272 -3.0271 -2.7955 -2.7954 0.0150 0.0152 0.3163 0.3178 0.3996 0.4012 0.9225 0.9260 1.1444 1.1454 1.2170 1.2200 1.7886 1.7977 1.9489 1.9506 1.9941 2.0005 2.0994 2.1118 2.2419 2.2465 2.5361 2.5415 2.7119 2.7178 2.9018 2.9031 2.9930 2.9949 3.1323 3.1354 3.4205 3.4238 3.7080 3.7085 3.8948 3.9038 3.9751 3.9874 4.3795 4.3803 4.5589 4.5614 4.7504 4.7543 4.9221 4.9223 6.9061 6.9084 7.3941 7.3985 7.4877 7.4939 7.6241 7.6256 7.9833 7.9856 8.2328 8.2336 8.4870 8.4930 k = 0.3333-0.0000-0.0000 ( 16112 PWs) bands (ev): -8.3851 -8.3851 -8.1638 -8.1637 -7.2821 -7.2821 -7.1616 -7.1614 -6.9583 -6.9583 -6.8548 -6.8539 -6.8196 -6.8186 -6.7697 -6.7696 -4.2461 -4.2460 -3.8983 -3.8983 -3.0721 -3.0721 -2.8633 -2.8633 -0.0169 -0.0167 0.2749 0.2761 0.3855 0.3867 0.8961 0.8995 1.1458 1.1466 1.2015 1.2042 1.7772 1.7844 1.9346 1.9356 1.9796 1.9897 2.0877 2.1009 2.2376 2.2429 2.5432 2.5488 2.7194 2.7266 2.8794 2.8830 2.9732 2.9740 3.1412 3.1446 3.4130 3.4161 3.6740 3.6749 3.8629 3.8739 3.9486 3.9624 4.3360 4.3368 4.5378 4.5398 4.7086 4.7128 4.8835 4.8836 6.9429 6.9450 7.4308 7.4348 7.5304 7.5366 7.6670 7.6686 8.0045 8.0057 8.2905 8.2928 8.4807 8.4856 k = 0.3462-0.0000-0.0000 ( 16114 PWs) bands (ev): -8.3376 -8.3376 -8.1200 -8.1200 -7.2856 -7.2855 -7.1912 -7.1910 -6.9464 -6.9463 -6.8559 -6.8552 -6.8068 -6.8060 -6.7600 -6.7598 -4.2271 -4.2269 -3.9007 -3.9007 -3.1184 -3.1184 -2.9321 -2.9320 -0.0458 -0.0456 0.2325 0.2335 0.3744 0.3754 0.8558 0.8588 1.1648 1.1652 1.1928 1.1951 1.7639 1.7692 1.9154 1.9174 1.9626 1.9731 2.0805 2.0932 2.2415 2.2470 2.5515 2.5571 2.7210 2.7293 2.8553 2.8611 2.9634 2.9636 3.1530 3.1566 3.4043 3.4072 3.6380 3.6393 3.8354 3.8476 3.9239 3.9385 4.2920 4.2927 4.5159 4.5171 4.6649 4.6691 4.8453 4.8456 6.9828 6.9846 7.4627 7.4662 7.5700 7.5760 7.7038 7.7055 8.0307 8.0311 8.3466 8.3504 8.4739 8.4782 k = 0.3590-0.0000-0.0000 ( 16114 PWs) bands (ev): -8.2890 -8.2890 -8.0755 -8.0755 -7.2924 -7.2922 -7.2234 -7.2231 -6.9350 -6.9349 -6.8569 -6.8564 -6.7944 -6.7937 -6.7508 -6.7507 -4.2045 -4.2043 -3.9000 -3.9000 -3.1657 -3.1657 -3.0015 -3.0014 -0.0717 -0.0716 0.1900 0.1909 0.3660 0.3669 0.8096 0.8122 1.1839 1.1856 1.2000 1.2004 1.7497 1.7532 1.8971 1.9003 1.9368 1.9459 2.0782 2.0892 2.2516 2.2570 2.5605 2.5659 2.7168 2.7258 2.8291 2.8362 2.9653 2.9659 3.1667 3.1702 3.3952 3.3980 3.6001 3.6018 3.8132 3.8260 3.9004 3.9154 4.2482 4.2488 4.4938 4.4939 4.6204 4.6242 4.8078 4.8084 7.0248 7.0264 7.4899 7.4928 7.6057 7.6114 7.7338 7.7358 8.0619 8.0621 8.3994 8.4046 8.4689 8.4730 k = 0.3718-0.0000-0.0000 ( 16090 PWs) bands (ev): -8.2395 -8.2395 -8.0304 -8.0304 -7.3027 -7.3025 -7.2581 -7.2577 -6.9242 -6.9241 -6.8578 -6.8573 -6.7825 -6.7819 -6.7424 -6.7422 -4.1783 -4.1782 -3.8959 -3.8959 -3.2137 -3.2137 -3.0713 -3.0712 -0.0946 -0.0945 0.1482 0.1490 0.3599 0.3607 0.7619 0.7643 1.1883 1.1902 1.2326 1.2330 1.7359 1.7379 1.8801 1.8843 1.9042 1.9117 2.0769 2.0861 2.2660 2.2710 2.5696 2.5747 2.7084 2.7178 2.8023 2.8098 2.9771 2.9778 3.1811 3.1845 3.3868 3.3897 3.5607 3.5629 3.7966 3.8091 3.8776 3.8923 4.2054 4.2058 4.4703 4.4719 4.5761 4.5790 4.7712 4.7720 7.0684 7.0697 7.5124 7.5146 7.6373 7.6427 7.7571 7.7595 8.0971 8.0977 8.4404 8.4445 8.4768 8.4782 k = 0.3846-0.0000-0.0000 ( 16098 PWs) bands (ev): -8.1890 -8.1890 -7.9848 -7.9848 -7.3174 -7.3169 -7.2947 -7.2940 -6.9141 -6.9140 -6.8583 -6.8580 -6.7712 -6.7707 -6.7347 -6.7345 -4.1486 -4.1484 -3.8884 -3.8884 -3.2622 -3.2622 -3.1411 -3.1411 -0.1144 -0.1144 0.1077 0.1084 0.3559 0.3567 0.7151 0.7172 1.1960 1.1977 1.2705 1.2713 1.7238 1.7244 1.8611 1.8681 1.8701 1.8743 2.0731 2.0808 2.2836 2.2882 2.5788 2.5832 2.6980 2.7072 2.7764 2.7839 2.9948 2.9953 3.1953 3.1982 3.3809 3.3841 3.5210 3.5240 3.7846 3.7959 3.8551 3.8686 4.1648 4.1649 4.4461 4.4503 4.5340 4.5348 4.7356 4.7366 7.1130 7.1140 7.5301 7.5316 7.6649 7.6697 7.7745 7.7773 8.1354 8.1363 8.4499 8.4504 8.5129 8.5176 k = 0.3974-0.0000-0.0000 ( 16106 PWs) bands (ev): -8.1378 -8.1378 -7.9389 -7.9389 -7.3411 -7.3401 -7.3285 -7.3273 -6.9047 -6.9046 -6.8586 -6.8582 -6.7606 -6.7601 -6.7278 -6.7276 -4.1154 -4.1152 -3.8774 -3.8773 -3.3109 -3.3108 -3.2108 -3.2108 -0.1310 -0.1310 0.0689 0.0696 0.3540 0.3548 0.6702 0.6722 1.2084 1.2099 1.3106 1.3116 1.7129 1.7138 1.8264 1.8340 1.8499 1.8532 2.0649 2.0714 2.3036 2.3078 2.5874 2.5909 2.6874 2.6957 2.7531 2.7599 3.0150 3.0151 3.2081 3.2101 3.3794 3.3832 3.4826 3.4869 3.7753 3.7834 3.8335 3.8439 4.1276 4.1277 4.4195 4.4274 4.4946 4.4969 4.7012 4.7023 7.1580 7.1586 7.5430 7.5436 7.6887 7.6928 7.7868 7.7901 8.1753 8.1764 8.4486 8.4501 8.5556 8.5628 k = 0.4103-0.0000-0.0000 ( 16108 PWs) bands (ev): -8.0859 -8.0859 -7.8929 -7.8928 -7.3794 -7.3790 -7.3522 -7.3516 -6.8962 -6.8961 -6.8585 -6.8582 -6.7508 -6.7504 -6.7218 -6.7216 -4.0787 -4.0785 -3.8628 -3.8628 -3.3595 -3.3594 -3.2801 -3.2800 -0.1444 -0.1444 0.0323 0.0329 0.3542 0.3549 0.6280 0.6297 1.2254 1.2267 1.3515 1.3528 1.7025 1.7053 1.7886 1.7964 1.8330 1.8366 2.0515 2.0569 2.3255 2.3292 2.5949 2.5969 2.6780 2.6843 2.7337 2.7391 3.0346 3.0349 3.2180 3.2183 3.3840 3.3884 3.4481 3.4547 3.7655 3.7673 3.8144 3.8188 4.0955 4.0958 4.3879 4.3993 4.4635 4.4688 4.6679 4.6691 7.2027 7.2030 7.5508 7.5510 7.7091 7.7123 7.7950 7.7987 8.2153 8.2165 8.4475 8.4493 8.5958 8.6047 k = 0.4231-0.0000-0.0000 ( 16112 PWs) bands (ev): -8.0335 -8.0335 -7.8468 -7.8468 -7.4226 -7.4224 -7.3770 -7.3766 -6.8885 -6.8884 -6.8583 -6.8580 -6.7418 -6.7414 -6.7168 -6.7166 -4.0386 -4.0384 -3.8447 -3.8447 -3.4077 -3.4075 -3.3486 -3.3485 -0.1545 -0.1544 -0.0018 -0.0013 0.3564 0.3572 0.5886 0.5903 1.2465 1.2477 1.3920 1.3937 1.6896 1.6946 1.7561 1.7647 1.8161 1.8196 2.0327 2.0371 2.3488 2.3521 2.5994 2.5996 2.6706 2.6737 2.7192 2.7226 3.0517 3.0527 3.2206 3.2231 3.3950 3.3998 3.4218 3.4313 3.7444 3.7510 3.7948 3.7982 4.0712 4.0713 4.3508 4.3632 4.4452 4.4512 4.6360 4.6372 7.2468 7.2468 7.5530 7.5540 7.7265 7.7287 7.7998 7.8040 8.2541 8.2554 8.4468 8.4487 8.6317 8.6421 k = 0.4359-0.0000-0.0000 ( 16118 PWs) bands (ev): -7.9807 -7.9807 -7.8010 -7.8009 -7.4681 -7.4679 -7.4047 -7.4044 -6.8817 -6.8816 -6.8580 -6.8578 -6.7338 -6.7334 -6.7128 -6.7126 -3.9952 -3.9951 -3.8233 -3.8232 -3.4553 -3.4549 -3.4161 -3.4158 -0.1611 -0.1610 -0.0332 -0.0327 0.3609 0.3617 0.5524 0.5540 1.2715 1.2725 1.4309 1.4330 1.6682 1.6735 1.7373 1.7451 1.8003 1.8035 2.0088 2.0123 2.3732 2.3761 2.5962 2.5982 2.6666 2.6667 2.7099 2.7109 3.0659 3.0675 3.2151 3.2207 3.4027 3.4081 3.4221 3.4244 3.7161 3.7286 3.7728 3.7809 4.0561 4.0568 4.3107 4.3227 4.4371 4.4424 4.6054 4.6068 7.2893 7.2897 7.5502 7.5519 7.7413 7.7426 7.8019 7.8064 8.2907 8.2922 8.4462 8.4481 8.6631 8.6746 k = 0.4487-0.0000-0.0000 ( 16122 PWs) bands (ev): -7.9277 -7.9277 -7.7556 -7.7555 -7.5153 -7.5152 -7.4353 -7.4351 -6.8758 -6.8757 -6.8578 -6.8576 -6.7268 -6.7264 -6.7099 -6.7097 -3.9488 -3.9486 -3.7984 -3.7984 -3.5026 -3.5019 -3.4818 -3.4812 -0.1643 -0.1642 -0.0615 -0.0610 0.3676 0.3684 0.5195 0.5209 1.2999 1.3006 1.4652 1.4680 1.6397 1.6440 1.7292 1.7348 1.7894 1.7923 1.9808 1.9835 2.3984 2.4009 2.5857 2.5884 2.6656 2.6670 2.7037 2.7045 3.0773 3.0798 3.2017 3.2095 3.4029 3.4157 3.4414 3.4443 3.6855 3.7003 3.7501 3.7591 4.0516 4.0536 4.2699 4.2811 4.4361 4.4405 4.5764 4.5779 7.3300 7.3309 7.5426 7.5449 7.7541 7.7543 7.8018 7.8064 8.3242 8.3258 8.4448 8.4467 8.6903 8.7025 k = 0.4615-0.0000-0.0000 ( 16138 PWs) bands (ev): -7.8746 -7.8746 -7.7108 -7.7107 -7.5639 -7.5639 -7.4687 -7.4685 -6.8708 -6.8707 -6.8579 -6.8577 -6.7207 -6.7204 -6.7081 -6.7078 -3.8993 -3.8991 -3.7704 -3.7703 -3.5538 -3.5526 -3.5411 -3.5400 -0.1639 -0.1638 -0.0866 -0.0862 0.3767 0.3776 0.4898 0.4911 1.3312 1.3317 1.4888 1.4919 1.6156 1.6191 1.7183 1.7222 1.7899 1.7924 1.9498 1.9518 2.4241 2.4262 2.5690 2.5715 2.6698 2.6708 2.6993 2.7011 3.0873 3.0908 3.1828 3.1914 3.4152 3.4296 3.4658 3.4690 3.6560 3.6710 3.7241 3.7321 4.0577 4.0612 4.2298 4.2402 4.4407 4.4444 4.5491 4.5507 7.3686 7.3699 7.5303 7.5329 7.7643 7.7650 7.8000 7.8045 8.3539 8.3556 8.4419 8.4439 8.7141 8.7265 k = 0.4744-0.0000-0.0000 ( 16132 PWs) bands (ev): -7.8216 -7.8216 -7.6668 -7.6667 -7.6138 -7.6137 -7.5045 -7.5044 -6.8667 -6.8666 -6.8584 -6.8582 -6.7158 -6.7155 -6.7073 -6.7071 -3.8471 -3.8469 -3.7395 -3.7394 -3.6138 -3.6132 -3.5870 -3.5864 -0.1600 -0.1598 -0.1083 -0.1080 0.3883 0.3893 0.4633 0.4645 1.3649 1.3652 1.4899 1.4923 1.6115 1.6134 1.7000 1.7029 1.8033 1.8050 1.9173 1.9185 2.4499 2.4519 2.5484 2.5505 2.6764 2.6764 2.6960 2.6980 3.0976 3.1021 3.1620 3.1705 3.4360 3.4502 3.4882 3.4897 3.6332 3.6461 3.6953 3.7014 4.0728 4.0778 4.1915 4.2010 4.4501 4.4531 4.5239 4.5257 7.4045 7.4063 7.5134 7.5161 7.7729 7.7746 7.7967 7.8010 8.3793 8.3811 8.4367 8.4387 8.7353 8.7474 k = 0.4872-0.0000-0.0000 ( 16144 PWs) bands (ev): -7.7688 -7.7688 -7.6647 -7.6647 -7.6239 -7.6238 -7.5425 -7.5424 -6.8635 -6.8633 -6.8594 -6.8592 -6.7120 -6.7117 -6.7077 -6.7075 -3.7924 -3.7921 -3.7068 -3.7067 -3.6734 -3.6731 -3.6286 -3.6283 -0.1525 -0.1522 -0.1266 -0.1263 0.4027 0.4037 0.4401 0.4412 1.4001 1.4002 1.4678 1.4690 1.6286 1.6286 1.6771 1.6792 1.8256 1.8266 1.8847 1.8853 2.4757 2.4775 2.5255 2.5273 2.6824 2.6833 2.6924 2.6944 3.1096 3.1153 3.1420 3.1498 3.4607 3.4734 3.4962 3.4998 3.6270 3.6343 3.6664 3.6698 4.0952 4.1016 4.1557 4.1643 4.4636 4.4662 4.5010 4.5029 7.4373 7.4395 7.4921 7.4947 7.7804 7.7829 7.7923 7.7961 8.4001 8.4020 8.4284 8.4304 8.7543 8.7658 k = 0.5000-0.0000-0.0000 ( 16158 PWs) bands (ev): -7.7165 -7.7165 -7.7164 -7.7164 -7.5824 -7.5824 -7.5823 -7.5823 -6.8611 -6.8611 -6.8609 -6.8609 -6.7093 -6.7093 -6.7090 -6.7090 -3.7356 -3.7356 -3.7353 -3.7353 -3.6674 -3.6674 -3.6671 -3.6671 -0.1413 -0.1413 -0.1410 -0.1410 0.4199 0.4199 0.4209 0.4209 1.4353 1.4353 1.4358 1.4358 1.6523 1.6523 1.6535 1.6535 1.8537 1.8537 1.8539 1.8539 2.5010 2.5010 2.5027 2.5027 2.6879 2.6879 2.6894 2.6894 3.1243 3.1243 3.1311 3.1311 3.4837 3.4837 3.4930 3.4930 3.6421 3.6421 3.6429 3.6429 4.1233 4.1233 4.1308 4.1308 4.4807 4.4807 4.4830 4.4830 7.4667 7.4667 7.4691 7.4691 7.7868 7.7868 7.7900 7.7900 8.4164 8.4164 8.4184 8.4184 8.7711 8.7711 k = 0.5000-0.0000-0.0000 ( 16158 PWs) bands (ev): -7.7165 -7.7165 -7.7164 -7.7164 -7.5824 -7.5824 -7.5823 -7.5823 -6.8611 -6.8611 -6.8609 -6.8609 -6.7093 -6.7093 -6.7090 -6.7090 -3.7356 -3.7356 -3.7353 -3.7353 -3.6674 -3.6674 -3.6671 -3.6671 -0.1413 -0.1413 -0.1410 -0.1410 0.4199 0.4199 0.4209 0.4209 1.4353 1.4353 1.4358 1.4358 1.6523 1.6523 1.6535 1.6535 1.8537 1.8537 1.8539 1.8539 2.5010 2.5010 2.5027 2.5027 2.6879 2.6879 2.6894 2.6894 3.1243 3.1243 3.1311 3.1311 3.4837 3.4837 3.4930 3.4930 3.6421 3.6421 3.6429 3.6429 4.1233 4.1233 4.1308 4.1308 4.4807 4.4807 4.4830 4.4830 7.4667 7.4667 7.4691 7.4691 7.7868 7.7868 7.7900 7.7900 8.4164 8.4164 8.4184 8.4184 8.7711 8.7711 k = 0.5000 0.0126-0.0000 ( 16140 PWs) bands (ev): -7.7161 -7.7161 -7.7161 -7.7161 -7.5823 -7.5823 -7.5822 -7.5822 -6.8614 -6.8614 -6.8612 -6.8612 -6.7099 -6.7099 -6.7097 -6.7097 -3.7351 -3.7351 -3.7346 -3.7346 -3.6665 -3.6665 -3.6663 -3.6663 -0.1402 -0.1402 -0.1399 -0.1399 0.4153 0.4153 0.4231 0.4231 1.4249 1.4249 1.4405 1.4405 1.6364 1.6364 1.6681 1.6681 1.8531 1.8531 1.8550 1.8550 2.4851 2.4851 2.4902 2.4902 2.6694 2.6694 2.7318 2.7318 3.1179 3.1179 3.1449 3.1449 3.4653 3.4653 3.5079 3.5079 3.6269 3.6269 3.6555 3.6555 4.1114 4.1114 4.1427 4.1427 4.4867 4.4867 4.4916 4.4916 7.4606 7.4606 7.4710 7.4710 7.7914 7.7914 7.7947 7.7947 8.4132 8.4132 8.4184 8.4184 8.7670 8.7670 k = 0.5000 0.0253-0.0000 ( 16128 PWs) bands (ev): -7.7151 -7.7151 -7.7151 -7.7151 -7.5821 -7.5821 -7.5819 -7.5819 -6.8623 -6.8623 -6.8621 -6.8621 -6.7118 -6.7118 -6.7115 -6.7115 -3.7336 -3.7336 -3.7327 -3.7327 -3.6641 -3.6641 -3.6638 -3.6638 -0.1369 -0.1369 -0.1365 -0.1365 0.4080 0.4080 0.4233 0.4233 1.4094 1.4094 1.4393 1.4393 1.6185 1.6185 1.6817 1.6817 1.8530 1.8530 1.8564 1.8564 2.4447 2.4447 2.4621 2.4621 2.6708 2.6708 2.7850 2.7850 3.1171 3.1171 3.1676 3.1676 3.4434 3.4434 3.5176 3.5176 3.6135 3.6135 3.6640 3.6640 4.0989 4.0989 4.1560 4.1560 4.5048 4.5048 4.5159 4.5159 7.4505 7.4505 7.4696 7.4696 7.8051 7.8051 7.8082 7.8082 8.4063 8.4063 8.4162 8.4162 8.7581 8.7581 k = 0.5000 0.0379-0.0000 ( 16112 PWs) bands (ev): -7.7135 -7.7135 -7.7134 -7.7134 -7.5816 -7.5816 -7.5814 -7.5814 -6.8639 -6.8639 -6.8636 -6.8636 -6.7149 -6.7149 -6.7146 -6.7146 -3.7310 -3.7310 -3.7296 -3.7296 -3.6600 -3.6600 -3.6596 -3.6596 -0.1313 -0.1313 -0.1308 -0.1308 0.3986 0.3986 0.4211 0.4211 1.3902 1.3902 1.4323 1.4323 1.5983 1.5983 1.6921 1.6921 1.8517 1.8517 1.8601 1.8601 2.3967 2.3967 2.4275 2.4275 2.6786 2.6786 2.8361 2.8361 3.1261 3.1261 3.1946 3.1946 3.4253 3.4253 3.5129 3.5129 3.6085 3.6085 3.6675 3.6675 4.0911 4.0911 4.1677 4.1677 4.5328 4.5328 4.5535 4.5535 7.4389 7.4389 7.4648 7.4648 7.8262 7.8262 7.8294 7.8294 8.3961 8.3961 8.4114 8.4114 8.7466 8.7466 k = 0.5000 0.0506-0.0000 ( 16136 PWs) bands (ev): -7.7112 -7.7112 -7.7111 -7.7111 -7.5810 -7.5810 -7.5808 -7.5808 -6.8659 -6.8659 -6.8657 -6.8657 -6.7191 -6.7191 -6.7188 -6.7188 -3.7273 -3.7273 -3.7256 -3.7256 -3.6545 -3.6545 -3.6540 -3.6540 -0.1234 -0.1234 -0.1231 -0.1231 0.3873 0.3873 0.4166 0.4166 1.3683 1.3683 1.4203 1.4203 1.5748 1.5748 1.6967 1.6967 1.8486 1.8486 1.8666 1.8666 2.3511 2.3511 2.3913 2.3913 2.6851 2.6851 2.8779 2.8779 3.1458 3.1458 3.2214 3.2214 3.4155 3.4155 3.4957 3.4957 3.6113 3.6113 3.6665 3.6665 4.0901 4.0901 4.1787 4.1787 4.5681 4.5681 4.6012 4.6012 7.4276 7.4276 7.4582 7.4582 7.8519 7.8519 7.8580 7.8580 8.3829 8.3829 8.4040 8.4040 8.7332 8.7332 k = 0.5000 0.0632-0.0000 ( 16124 PWs) bands (ev): -7.7083 -7.7083 -7.7082 -7.7082 -7.5803 -7.5803 -7.5800 -7.5800 -6.8684 -6.8684 -6.8682 -6.8682 -6.7244 -6.7244 -6.7241 -6.7241 -3.7227 -3.7227 -3.7207 -3.7207 -3.6477 -3.6477 -3.6471 -3.6471 -0.1135 -0.1135 -0.1133 -0.1133 0.3743 0.3743 0.4101 0.4101 1.3445 1.3445 1.4044 1.4044 1.5477 1.5477 1.6917 1.6917 1.8461 1.8461 1.8755 1.8755 2.3122 2.3122 2.3558 2.3558 2.6889 2.6889 2.9082 2.9082 3.1738 3.1738 3.2414 3.2414 3.4193 3.4193 3.4743 3.4743 3.6167 3.6167 3.6619 3.6619 4.0969 4.0969 4.1902 4.1902 4.6083 4.6083 4.6554 4.6554 7.4181 7.4181 7.4513 7.4513 7.8808 7.8808 7.8924 7.8924 8.3669 8.3669 8.3944 8.3944 8.7182 8.7182 k = 0.5000 0.0758-0.0000 ( 16116 PWs) bands (ev): -7.7049 -7.7049 -7.7047 -7.7047 -7.5795 -7.5795 -7.5792 -7.5792 -6.8713 -6.8713 -6.8710 -6.8710 -6.7307 -6.7307 -6.7303 -6.7303 -3.7173 -3.7173 -3.7150 -3.7150 -3.6397 -3.6397 -3.6391 -3.6391 -0.1019 -0.1019 -0.1012 -0.1012 0.3601 0.3601 0.4016 0.4016 1.3194 1.3194 1.3856 1.3856 1.5170 1.5170 1.6741 1.6741 1.8470 1.8470 1.8858 1.8858 2.2809 2.2809 2.3224 2.3224 2.6912 2.6912 2.9290 2.9290 3.2030 3.2030 3.2502 3.2502 3.4378 3.4378 3.4565 3.4565 3.6221 3.6221 3.6554 3.6554 4.1122 4.1122 4.2036 4.2036 4.6510 4.6510 4.7126 4.7126 7.4114 7.4114 7.4456 7.4456 7.9118 7.9118 7.9309 7.9309 8.3484 8.3484 8.3830 8.3830 8.7017 8.7017 k = 0.5000 0.0885-0.0000 ( 16122 PWs) bands (ev): -7.7010 -7.7010 -7.7008 -7.7008 -7.5787 -7.5787 -7.5784 -7.5784 -6.8744 -6.8744 -6.8741 -6.8741 -6.7377 -6.7377 -6.7373 -6.7373 -3.7112 -3.7112 -3.7086 -3.7086 -3.6308 -3.6308 -3.6301 -3.6301 -0.0887 -0.0887 -0.0872 -0.0872 0.3450 0.3450 0.3916 0.3916 1.2936 1.2936 1.3646 1.3646 1.4833 1.4833 1.6439 1.6439 1.8523 1.8523 1.8966 1.8966 2.2560 2.2560 2.2914 2.2914 2.6940 2.6940 2.9444 2.9444 3.2243 3.2243 3.2497 3.2497 3.4429 3.4429 3.4695 3.4695 3.6275 3.6275 3.6489 3.6489 4.1364 4.1364 4.2198 4.2198 4.6941 4.6941 4.7700 4.7700 7.4087 7.4087 7.4422 7.4422 7.9439 7.9439 7.9720 7.9720 8.3277 8.3277 8.3701 8.3701 8.6839 8.6839 k = 0.5000 0.1011-0.0000 ( 16114 PWs) bands (ev): -7.6966 -7.6966 -7.6964 -7.6964 -7.5779 -7.5779 -7.5776 -7.5776 -6.8776 -6.8776 -6.8772 -6.8772 -6.7454 -6.7454 -6.7450 -6.7450 -3.7045 -3.7045 -3.7018 -3.7018 -3.6212 -3.6212 -3.6204 -3.6204 -0.0741 -0.0741 -0.0713 -0.0713 0.3292 0.3292 0.3804 0.3804 1.2674 1.2674 1.3419 1.3419 1.4476 1.4476 1.6041 1.6041 1.8611 1.8611 1.9071 1.9071 2.2355 2.2355 2.2630 2.2630 2.6993 2.6993 2.9579 2.9579 3.2317 3.2317 3.2447 3.2447 3.4409 3.4409 3.4984 3.4984 3.6341 3.6341 3.6459 3.6459 4.1698 4.1698 4.2400 4.2400 4.7354 4.7354 4.8249 4.8249 7.4108 7.4108 7.4422 7.4422 7.9757 7.9757 8.0145 8.0145 8.3056 8.3056 8.3564 8.3564 8.6649 8.6649 k = 0.5000 0.1138-0.0000 ( 16114 PWs) bands (ev): -7.6920 -7.6920 -7.6917 -7.6917 -7.5772 -7.5772 -7.5769 -7.5769 -6.8807 -6.8807 -6.8804 -6.8804 -6.7536 -6.7536 -6.7532 -6.7532 -3.6975 -3.6975 -3.6948 -3.6948 -3.6111 -3.6111 -3.6103 -3.6103 -0.0582 -0.0582 -0.0538 -0.0538 0.3132 0.3132 0.3681 0.3681 1.2414 1.2414 1.3180 1.3180 1.4110 1.4110 1.5587 1.5587 1.8719 1.8719 1.9169 1.9169 2.2172 2.2172 2.2371 2.2371 2.7088 2.7088 2.9714 2.9714 3.2266 3.2266 3.2384 3.2384 3.4432 3.4432 3.5185 3.5185 3.6424 3.6424 3.6509 3.6509 4.2121 4.2121 4.2651 4.2651 4.7733 4.7733 4.8751 4.8751 7.4182 7.4182 7.4465 7.4465 8.0060 8.0060 8.0564 8.0564 8.2833 8.2833 8.3425 8.3425 8.6447 8.6447 k = 0.5000 0.1264-0.0000 ( 16118 PWs) bands (ev): -7.6870 -7.6870 -7.6868 -7.6868 -7.5767 -7.5767 -7.5763 -7.5763 -6.8838 -6.8838 -6.8835 -6.8835 -6.7621 -6.7621 -6.7617 -6.7617 -3.6904 -3.6904 -3.6876 -3.6876 -3.6009 -3.6009 -3.6001 -3.6001 -0.0414 -0.0414 -0.0350 -0.0350 0.2973 0.2973 0.3551 0.3551 1.2157 1.2157 1.2930 1.2930 1.3747 1.3747 1.5109 1.5109 1.8837 1.8837 1.9258 1.9258 2.1995 2.1995 2.2134 2.2134 2.7230 2.7230 2.9856 2.9856 3.2145 3.2145 3.2320 3.2320 3.4445 3.4445 3.5249 3.5249 3.6526 3.6526 3.6648 3.6648 4.2630 4.2630 4.2959 4.2959 4.8060 4.8060 4.9187 4.9187 7.4314 7.4314 7.4557 7.4557 8.0329 8.0329 8.0947 8.0947 8.2633 8.2633 8.3292 8.3292 8.6233 8.6233 k = 0.5000 0.1390-0.0000 ( 16114 PWs) bands (ev): -7.6820 -7.6820 -7.6818 -7.6818 -7.5763 -7.5763 -7.5759 -7.5759 -6.8866 -6.8866 -6.8863 -6.8863 -6.7707 -6.7707 -6.7703 -6.7703 -3.6833 -3.6833 -3.6806 -3.6806 -3.5908 -3.5908 -3.5900 -3.5900 -0.0239 -0.0239 -0.0153 -0.0153 0.2819 0.2819 0.3416 0.3416 1.1909 1.1909 1.2671 1.2671 1.3402 1.3402 1.4631 1.4631 1.8958 1.8958 1.9336 1.9336 2.1820 2.1820 2.1917 2.1917 2.7421 2.7421 3.0005 3.0005 3.2002 3.2002 3.2265 3.2265 3.4424 3.4424 3.5204 3.5204 3.6637 3.6637 3.6824 3.6824 4.3210 4.3210 4.3330 4.3330 4.8322 4.8322 4.9540 4.9540 7.4505 7.4505 7.4704 7.4704 8.0543 8.0543 8.1220 8.1220 8.2524 8.2524 8.3179 8.3179 8.6012 8.6012 k = 0.5000 0.1517-0.0000 ( 16098 PWs) bands (ev): -7.6769 -7.6769 -7.6767 -7.6767 -7.5760 -7.5760 -7.5757 -7.5757 -6.8890 -6.8890 -6.8887 -6.8887 -6.7792 -6.7792 -6.7788 -6.7788 -3.6764 -3.6764 -3.6739 -3.6739 -3.5811 -3.5811 -3.5803 -3.5803 -0.0063 -0.0063 0.0050 0.0050 0.2672 0.2672 0.3279 0.3279 1.1675 1.1675 1.2404 1.2404 1.3088 1.3088 1.4172 1.4172 1.9077 1.9077 1.9404 1.9404 2.1646 2.1646 2.1719 2.1719 2.7652 2.7652 3.0144 3.0144 3.1869 3.1869 3.2221 3.2221 3.4369 3.4369 3.5099 3.5099 3.6737 3.6737 3.6983 3.6983 4.3749 4.3749 4.3858 4.3858 4.8508 4.8508 4.9797 4.9797 7.4753 7.4753 7.4908 7.4908 8.0674 8.0674 8.1274 8.1274 8.2609 8.2609 8.3102 8.3102 8.5789 8.5789 k = 0.5000 0.1643-0.0000 ( 16098 PWs) bands (ev): -7.6720 -7.6720 -7.6718 -7.6718 -7.5760 -7.5760 -7.5757 -7.5757 -6.8910 -6.8910 -6.8908 -6.8908 -6.7873 -6.7873 -6.7869 -6.7869 -3.6700 -3.6700 -3.6677 -3.6677 -3.5720 -3.5720 -3.5713 -3.5713 0.0113 0.0113 0.0253 0.0253 0.2539 0.2539 0.3140 0.3140 1.1460 1.1460 1.2131 1.2131 1.2816 1.2816 1.3746 1.3746 1.9193 1.9193 1.9464 1.9464 2.1477 2.1477 2.1540 2.1540 2.7914 2.7914 3.0251 3.0251 3.1778 3.1778 3.2192 3.2192 3.4294 3.4294 3.4966 3.4966 3.6818 3.6818 3.7098 3.7098 4.4228 4.4228 4.4533 4.4533 4.8613 4.8613 4.9950 4.9950 7.5055 7.5055 7.5166 7.5166 8.0698 8.0698 8.1114 8.1114 8.2865 8.2865 8.3078 8.3078 8.5579 8.5579 k = 0.5000 0.1770-0.0000 ( 16094 PWs) bands (ev): -7.6673 -7.6673 -7.6672 -7.6672 -7.5762 -7.5762 -7.5759 -7.5759 -6.8926 -6.8926 -6.8924 -6.8924 -6.7948 -6.7948 -6.7945 -6.7945 -3.6641 -3.6641 -3.6622 -3.6622 -3.5639 -3.5639 -3.5632 -3.5632 0.0283 0.0283 0.0447 0.0447 0.2422 0.2422 0.3001 0.3001 1.1271 1.1271 1.1861 1.1861 1.2594 1.2594 1.3362 1.3362 1.9302 1.9302 1.9516 1.9516 2.1320 2.1320 2.1378 2.1378 2.8196 2.8196 3.0296 3.0296 3.1750 3.1750 3.2174 3.2174 3.4213 3.4213 3.4819 3.4819 3.6878 3.6878 3.7163 3.7163 4.4739 4.4739 4.5227 4.5227 4.8633 4.8633 4.9992 4.9992 7.5401 7.5401 7.5473 7.5473 8.0606 8.0606 8.0846 8.0846 8.3063 8.3063 8.3213 8.3213 8.5407 8.5407 k = 0.5000 0.1896-0.0000 ( 16106 PWs) bands (ev): -7.6632 -7.6632 -7.6630 -7.6630 -7.5765 -7.5765 -7.5762 -7.5762 -6.8938 -6.8938 -6.8936 -6.8936 -6.8015 -6.8015 -6.8012 -6.8012 -3.6591 -3.6591 -3.6574 -3.6574 -3.5568 -3.5568 -3.5563 -3.5563 0.0444 0.0444 0.0623 0.0623 0.2330 0.2330 0.2863 0.2863 1.1115 1.1115 1.1606 1.1606 1.2422 1.2422 1.3028 1.3028 1.9402 1.9402 1.9561 1.9561 2.1182 2.1182 2.1236 2.1236 2.8487 2.8487 3.0262 3.0262 3.1791 3.1791 3.2167 3.2167 3.4139 3.4139 3.4669 3.4669 3.6922 3.6922 3.7185 3.7185 4.5267 4.5267 4.5912 4.5912 4.8573 4.8573 4.9923 4.9923 7.5774 7.5774 7.5815 7.5815 8.0415 8.0415 8.0534 8.0534 8.3128 8.3128 8.3471 8.3471 8.5319 8.5319 k = 0.5000 0.2022-0.0000 ( 16106 PWs) bands (ev): -7.6596 -7.6596 -7.6595 -7.6595 -7.5768 -7.5768 -7.5766 -7.5766 -6.8945 -6.8945 -6.8944 -6.8944 -6.8070 -6.8070 -6.8068 -6.8068 -3.6549 -3.6549 -3.6537 -3.6537 -3.5511 -3.5511 -3.5507 -3.5507 0.0590 0.0590 0.0766 0.0766 0.2271 0.2271 0.2727 0.2727 1.0999 1.0999 1.1377 1.1377 1.2302 1.2302 1.2749 1.2749 1.9488 1.9488 1.9599 1.9599 2.1067 2.1067 2.1116 2.1116 2.8779 2.8779 3.0157 3.0157 3.1879 3.1879 3.2167 3.2167 3.4087 3.4087 3.4520 3.4520 3.6956 3.6956 3.7174 3.7174 4.5795 4.5795 4.6559 4.6559 4.8449 4.8449 4.9747 4.9747 7.6152 7.6152 7.6171 7.6171 8.0159 8.0159 8.0210 8.0210 8.3202 8.3202 8.3622 8.3622 8.5372 8.5372 k = 0.5000 0.2149-0.0000 ( 16098 PWs) bands (ev): -7.6570 -7.6570 -7.6569 -7.6569 -7.5772 -7.5772 -7.5770 -7.5770 -6.8949 -6.8949 -6.8948 -6.8948 -6.8112 -6.8112 -6.8111 -6.8111 -3.6518 -3.6518 -3.6510 -3.6510 -3.5469 -3.5469 -3.5466 -3.5466 0.0717 0.0717 0.0862 0.0862 0.2255 0.2255 0.2594 0.2594 1.0930 1.0930 1.1187 1.1187 1.2235 1.2235 1.2529 1.2529 1.9558 1.9558 1.9626 1.9626 2.0983 2.0983 2.1021 2.1021 2.9061 2.9061 2.9999 2.9999 3.1980 3.1980 3.2166 3.2166 3.4068 3.4068 3.4378 3.4378 3.6988 3.6988 3.7143 3.7143 4.6301 4.6301 4.7099 4.7099 4.8316 4.8316 4.9473 4.9473 7.6496 7.6496 7.6504 7.6504 7.9887 7.9887 7.9909 7.9909 8.3286 8.3286 8.3642 8.3642 8.5574 8.5574 k = 0.5000 0.2275-0.0000 ( 16104 PWs) bands (ev): -7.6553 -7.6553 -7.6552 -7.6552 -7.5774 -7.5774 -7.5773 -7.5773 -6.8951 -6.8951 -6.8950 -6.8950 -6.8138 -6.8138 -6.8138 -6.8138 -3.6498 -3.6498 -3.6494 -3.6494 -3.5443 -3.5443 -3.5441 -3.5441 0.0818 0.0818 0.0901 0.0901 0.2287 0.2287 0.2469 0.2469 1.0913 1.0913 1.1043 1.1043 1.2222 1.2222 1.2367 1.2367 1.9608 1.9608 1.9640 1.9640 2.0935 2.0935 2.0956 2.0956 2.9329 2.9329 2.9803 2.9803 3.2066 3.2066 3.2155 3.2155 3.4089 3.4089 3.4253 3.4253 3.7022 3.7022 3.7102 3.7102 4.6764 4.6764 4.7331 4.7331 4.8367 4.8367 4.9115 4.9115 7.6753 7.6753 7.6757 7.6757 7.9671 7.9671 7.9680 7.9680 8.3380 8.3380 8.3577 8.3577 8.5856 8.5856 k = 0.5000 0.2402-0.0000 ( 16100 PWs) bands (ev): -7.6547 -7.6547 -7.6547 -7.6547 -7.5775 -7.5775 -7.5775 -7.5775 -6.8951 -6.8951 -6.8951 -6.8951 -6.8147 -6.8147 -6.8147 -6.8147 -3.6490 -3.6490 -3.6490 -3.6490 -3.5433 -3.5433 -3.5433 -3.5433 0.0883 0.0883 0.0883 0.0883 0.2363 0.2363 0.2363 0.2363 1.0950 1.0950 1.0950 1.0950 1.2265 1.2265 1.2265 1.2265 1.9635 1.9635 1.9635 1.9635 2.0926 2.0926 2.0926 2.0926 2.9578 2.9578 2.9578 2.9578 3.2124 3.2124 3.2124 3.2124 3.4153 3.4153 3.4153 3.4153 3.7060 3.7060 3.7060 3.7060 4.7145 4.7145 4.7145 4.7145 4.8709 4.8709 4.8709 4.8709 7.6852 7.6852 7.6852 7.6852 7.9588 7.9588 7.9588 7.9588 8.3480 8.3480 8.3480 8.3480 8.6064 8.6064 k = 0.5000 0.2402-0.0000 ( 16100 PWs) bands (ev): -7.6547 -7.6547 -7.6547 -7.6547 -7.5775 -7.5775 -7.5775 -7.5775 -6.8951 -6.8951 -6.8951 -6.8951 -6.8147 -6.8147 -6.8147 -6.8147 -3.6490 -3.6490 -3.6490 -3.6490 -3.5433 -3.5433 -3.5433 -3.5433 0.0883 0.0883 0.0883 0.0883 0.2363 0.2363 0.2363 0.2363 1.0950 1.0950 1.0950 1.0950 1.2265 1.2265 1.2265 1.2265 1.9635 1.9635 1.9635 1.9635 2.0926 2.0926 2.0926 2.0926 2.9578 2.9578 2.9578 2.9578 3.2124 3.2124 3.2124 3.2124 3.4153 3.4153 3.4153 3.4153 3.7060 3.7060 3.7060 3.7060 4.7145 4.7145 4.7145 4.7145 4.8709 4.8709 4.8709 4.8709 7.6852 7.6852 7.6852 7.6852 7.9588 7.9588 7.9588 7.9588 8.3480 8.3480 8.3480 8.3480 8.6064 8.6064 k = 0.4872 0.2402-0.0000 ( 16106 PWs) bands (ev): -7.6774 -7.6774 -7.6770 -7.6770 -7.5567 -7.5567 -7.5560 -7.5560 -6.8952 -6.8952 -6.8949 -6.8949 -6.8153 -6.8153 -6.8152 -6.8152 -3.6703 -3.6703 -3.6656 -3.6656 -3.5246 -3.5246 -3.5196 -3.5196 0.0877 0.0877 0.0889 0.0889 0.2395 0.2395 0.2402 0.2402 1.0859 1.0859 1.0955 1.0955 1.2246 1.2246 1.2333 1.2333 1.9509 1.9509 1.9710 1.9710 2.0898 2.0898 2.1026 2.1026 2.9423 2.9423 2.9674 2.9674 3.2065 3.2065 3.2229 3.2229 3.4095 3.4095 3.4293 3.4293 3.6966 3.6966 3.7212 3.7212 4.7014 4.7014 4.7223 4.7223 4.8675 4.8675 4.8802 4.8802 7.6707 7.6707 7.6846 7.6846 7.9502 7.9502 7.9714 7.9714 8.3418 8.3418 8.3579 8.3579 8.6064 8.6064 k = 0.4744 0.2402-0.0000 ( 16110 PWs) bands (ev): -7.7196 -7.7196 -7.7190 -7.7190 -7.5189 -7.5189 -7.5180 -7.5180 -6.8952 -6.8952 -6.8947 -6.8947 -6.8170 -6.8170 -6.8169 -6.8169 -3.7080 -3.7080 -3.7021 -3.7021 -3.4815 -3.4815 -3.4748 -3.4748 0.0875 0.0875 0.0897 0.0897 0.2495 0.2495 0.2510 0.2510 1.0700 1.0700 1.0869 1.0869 1.2280 1.2280 1.2430 1.2430 1.9359 1.9359 1.9719 1.9719 2.0957 2.0957 2.1169 2.1169 2.9228 2.9228 2.9703 2.9703 3.2039 3.2039 3.2388 3.2388 3.4115 3.4115 3.4513 3.4513 3.6933 3.6933 3.7418 3.7418 4.6847 4.6847 4.7237 4.7237 4.8712 4.8712 4.8936 4.8936 7.6442 7.6442 7.6682 7.6682 7.9460 7.9460 7.9845 7.9845 8.3391 8.3391 8.3715 8.3715 8.6064 8.6064 k = 0.4615 0.2402-0.0000 ( 16112 PWs) bands (ev): -7.7662 -7.7662 -7.7657 -7.7657 -7.4795 -7.4795 -7.4784 -7.4784 -6.8951 -6.8951 -6.8943 -6.8943 -6.8196 -6.8196 -6.8196 -6.8196 -3.7481 -3.7481 -3.7420 -3.7420 -3.4303 -3.4303 -3.4231 -3.4231 0.0880 0.0880 0.0910 0.0910 0.2660 0.2660 0.2680 0.2680 1.0496 1.0496 1.0709 1.0709 1.2352 1.2352 1.2536 1.2536 1.9207 1.9207 1.9676 1.9676 2.1087 2.1087 2.1333 2.1333 2.9011 2.9011 2.9671 2.9671 3.2041 3.2041 3.2603 3.2603 3.4201 3.4201 3.4805 3.4805 3.6964 3.6964 3.7672 3.7672 4.6662 4.6662 4.7196 4.7196 4.8811 4.8811 4.9094 4.9094 7.6093 7.6093 7.6387 7.6387 7.9434 7.9434 7.9947 7.9947 8.3395 8.3395 8.3883 8.3883 8.6045 8.6045 k = 0.4487 0.2402-0.0000 ( 16116 PWs) bands (ev): -7.8146 -7.8146 -7.8142 -7.8142 -7.4414 -7.4414 -7.4401 -7.4401 -6.8950 -6.8950 -6.8940 -6.8940 -6.8231 -6.8231 -6.8229 -6.8229 -3.7871 -3.7871 -3.7810 -3.7810 -3.3755 -3.3755 -3.3679 -3.3679 0.0898 0.0898 0.0935 0.0935 0.2884 0.2884 0.2908 0.2908 1.0259 1.0259 1.0498 1.0498 1.2444 1.2444 1.2639 1.2639 1.9066 1.9066 1.9611 1.9611 2.1257 2.1257 2.1502 2.1502 2.8790 2.8790 2.9595 2.9595 3.2070 3.2070 3.2863 3.2863 3.4345 3.4345 3.5154 3.5154 3.7058 3.7058 3.7970 3.7970 4.6472 4.6472 4.7120 4.7120 4.8954 4.8954 4.9265 4.9265 7.5689 7.5689 7.5998 7.5998 7.9386 7.9386 7.9991 7.9991 8.3423 8.3423 8.4069 8.4069 8.5980 8.5980 k = 0.4359 0.2402-0.0000 ( 16144 PWs) bands (ev): -7.8638 -7.8638 -7.8634 -7.8634 -7.4057 -7.4057 -7.4041 -7.4041 -6.8950 -6.8950 -6.8939 -6.8939 -6.8269 -6.8269 -6.8266 -6.8266 -3.8240 -3.8240 -3.8180 -3.8180 -3.3185 -3.3185 -3.3105 -3.3105 0.0933 0.0933 0.0975 0.0975 0.3158 0.3158 0.3187 0.3187 0.9999 0.9999 1.0253 1.0253 1.2541 1.2541 1.2734 1.2734 1.8943 1.8943 1.9545 1.9545 2.1441 2.1441 2.1666 2.1666 2.8578 2.8578 2.9496 2.9496 3.2127 3.2127 3.3152 3.3152 3.4539 3.4539 3.5548 3.5548 3.7211 3.7211 3.8306 3.8306 4.6284 4.6284 4.7031 4.7031 4.9122 4.9122 4.9442 4.9442 7.5249 7.5249 7.5549 7.5549 7.9287 7.9287 7.9963 7.9963 8.3467 8.3467 8.4251 8.4251 8.5867 8.5867 k = 0.4231 0.2402-0.0000 ( 16124 PWs) bands (ev): -7.9134 -7.9134 -7.9130 -7.9130 -7.3731 -7.3731 -7.3712 -7.3712 -6.8954 -6.8954 -6.8943 -6.8943 -6.8307 -6.8307 -6.8300 -6.8300 -3.8582 -3.8582 -3.8523 -3.8523 -3.2597 -3.2597 -3.2516 -3.2516 0.0988 0.0988 0.1033 0.1033 0.3480 0.3480 0.3514 0.3514 0.9722 0.9722 0.9986 0.9986 1.2636 1.2636 1.2819 1.2819 1.8845 1.8845 1.9495 1.9495 2.1621 2.1621 2.1818 2.1818 2.8387 2.8387 2.9395 2.9395 3.2213 3.2213 3.3453 3.3453 3.4779 3.4779 3.5972 3.5972 3.7421 3.7421 3.8677 3.8677 4.6106 4.6106 4.6944 4.6944 4.9302 4.9302 4.9621 4.9621 7.4788 7.4788 7.5063 7.5063 7.9121 7.9121 7.9856 7.9856 8.3517 8.3517 8.4400 8.4400 8.5728 8.5728 k = 0.4103 0.2402-0.0000 ( 16124 PWs) bands (ev): -7.9631 -7.9631 -7.9627 -7.9627 -7.3440 -7.3440 -7.3419 -7.3419 -6.8968 -6.8968 -6.8960 -6.8960 -6.8333 -6.8333 -6.8320 -6.8320 -3.8894 -3.8894 -3.8837 -3.8837 -3.1998 -3.1998 -3.1915 -3.1915 0.1063 0.1063 0.1112 0.1112 0.3841 0.3841 0.3885 0.3885 0.9433 0.9433 0.9707 0.9707 1.2727 1.2727 1.2894 1.2894 1.8773 1.8773 1.9466 1.9466 2.1785 2.1785 2.1951 2.1951 2.8229 2.8229 2.9306 2.9306 3.2330 3.2330 3.3751 3.3751 3.5062 3.5062 3.6413 3.6413 3.7680 3.7680 3.9081 3.9081 4.5945 4.5945 4.6871 4.6871 4.9487 4.9487 4.9798 4.9798 7.4314 7.4314 7.4553 7.4553 7.8883 7.8883 7.9670 7.9670 8.3563 8.3563 8.4490 8.4490 8.5584 8.5584 k = 0.3974 0.2402-0.0000 ( 16114 PWs) bands (ev): -8.0126 -8.0126 -8.0122 -8.0122 -7.3188 -7.3188 -7.3164 -7.3164 -6.9002 -6.9002 -6.8997 -6.8997 -6.8338 -6.8338 -6.8318 -6.8318 -3.9175 -3.9175 -3.9119 -3.9119 -3.1390 -3.1390 -3.1306 -3.1306 0.1159 0.1159 0.1212 0.1212 0.4238 0.4238 0.4297 0.4297 0.9137 0.9137 0.9424 0.9424 1.2814 1.2814 1.2961 1.2961 1.8730 1.8730 1.9463 1.9463 2.1924 2.1924 2.2065 2.2065 2.8110 2.8110 2.9240 2.9240 3.2473 3.2473 3.4034 3.4034 3.5385 3.5385 3.6858 3.6858 3.7986 3.7986 3.9516 3.9516 4.5806 4.5806 4.6820 4.6820 4.9671 4.9671 4.9971 4.9971 7.3835 7.3835 7.4032 7.4032 7.8576 7.8576 7.9408 7.9408 8.3600 8.3600 8.4507 8.4507 8.5446 8.5446 k = 0.3846 0.2402-0.0000 ( 16116 PWs) bands (ev): -8.0617 -8.0617 -8.0614 -8.0614 -7.2977 -7.2977 -7.2951 -7.2951 -6.9061 -6.9061 -6.9059 -6.9059 -6.8315 -6.8315 -6.8286 -6.8286 -3.9424 -3.9424 -3.9370 -3.9370 -3.0777 -3.0777 -3.0691 -3.0691 0.1277 0.1277 0.1335 0.1335 0.4661 0.4661 0.4746 0.4746 0.8838 0.8838 0.9147 0.9147 1.2899 1.2899 1.3024 1.3024 1.8714 1.8714 1.9486 1.9486 2.2035 2.2035 2.2159 2.2159 2.8039 2.8039 2.9205 2.9205 3.2640 3.2640 3.4293 3.4293 3.5740 3.5740 3.7298 3.7298 3.8332 3.8332 3.9979 3.9979 4.5696 4.5696 4.6797 4.6797 4.9850 4.9850 5.0137 5.0137 7.3357 7.3357 7.3508 7.3508 7.8203 7.8203 7.9075 7.9075 8.3624 8.3624 8.4449 8.4449 8.5317 8.5317 k = 0.3718 0.2402-0.0000 ( 16128 PWs) bands (ev): -8.1104 -8.1104 -8.1100 -8.1100 -7.2809 -7.2809 -7.2780 -7.2780 -6.9149 -6.9149 -6.9143 -6.9143 -6.8260 -6.8260 -6.8224 -6.8224 -3.9640 -3.9640 -3.9587 -3.9587 -3.0162 -3.0162 -3.0075 -3.0075 0.1416 0.1416 0.1480 0.1480 0.5096 0.5096 0.5228 0.5228 0.8542 0.8542 0.8891 0.8891 1.2982 1.2982 1.3086 1.3086 1.8723 1.8723 1.9533 1.9533 2.2118 2.2118 2.2236 2.2236 2.8019 2.8019 2.9206 2.9206 3.2824 3.2824 3.4524 3.4524 3.6120 3.6120 3.7722 3.7722 3.8712 3.8712 4.0466 4.0466 4.5621 4.5621 4.6807 4.6807 5.0023 5.0023 5.0296 5.0296 7.2885 7.2885 7.2985 7.2985 7.7772 7.7772 7.8675 7.8675 8.3633 8.3633 8.4325 8.4325 8.5199 8.5199 k = 0.3590 0.2402-0.0000 ( 16144 PWs) bands (ev): -8.1583 -8.1583 -8.1579 -8.1579 -7.2682 -7.2682 -7.2650 -7.2650 -6.9258 -6.9258 -6.9249 -6.9249 -6.8180 -6.8180 -6.8137 -6.8137 -3.9823 -3.9823 -3.9771 -3.9771 -2.9548 -2.9548 -2.9460 -2.9460 0.1575 0.1575 0.1647 0.1647 0.5521 0.5521 0.5731 0.5731 0.8259 0.8259 0.8680 0.8680 1.3068 1.3068 1.3151 1.3151 1.8754 1.8754 1.9598 1.9598 2.2181 2.2181 2.2301 2.2301 2.8052 2.8052 2.9244 2.9244 3.3019 3.3019 3.4721 3.4721 3.6517 3.6517 3.8124 3.8124 3.9121 3.9121 4.0972 4.0972 4.5587 4.5587 4.6855 4.6855 5.0189 5.0189 5.0448 5.0448 7.2422 7.2422 7.2471 7.2471 7.7289 7.7289 7.8217 7.8217 8.3627 8.3627 8.4144 8.4144 8.5087 8.5087 k = 0.3462 0.2402-0.0000 ( 16152 PWs) bands (ev): -8.2054 -8.2054 -8.2051 -8.2051 -7.2593 -7.2593 -7.2560 -7.2560 -6.9384 -6.9384 -6.9373 -6.9373 -6.8079 -6.8079 -6.8032 -6.8032 -3.9974 -3.9974 -3.9923 -3.9923 -2.8937 -2.8937 -2.8849 -2.8849 0.1754 0.1754 0.1838 0.1838 0.5891 0.5891 0.6235 0.6235 0.8013 0.8013 0.8557 0.8557 1.3158 1.3158 1.3224 1.3224 1.8803 1.8803 1.9673 1.9673 2.2236 2.2236 2.2363 2.2363 2.8137 2.8137 2.9320 2.9320 3.3216 3.3216 3.4883 3.4883 3.6924 3.6924 3.8498 3.8498 3.9551 3.9551 4.1487 4.1487 4.5602 4.5602 4.6944 4.6944 5.0345 5.0345 5.0590 5.0590 7.1964 7.1964 7.1977 7.1977 7.6761 7.6761 7.7708 7.7708 8.3603 8.3603 8.3916 8.3916 8.4978 8.4978 k = 0.3333 0.2402-0.0000 ( 16144 PWs) bands (ev): -8.2516 -8.2516 -8.2513 -8.2513 -7.2539 -7.2539 -7.2505 -7.2505 -6.9522 -6.9522 -6.9509 -6.9509 -6.7965 -6.7965 -6.7914 -6.7914 -4.0092 -4.0092 -4.0042 -4.0042 -2.8333 -2.8333 -2.8245 -2.8245 0.1952 0.1952 0.2051 0.2051 0.6141 0.6141 0.6661 0.6661 0.7881 0.7881 0.8588 0.8588 1.3255 1.3255 1.3308 1.3308 1.8863 1.8863 1.9747 1.9747 2.2300 2.2300 2.2434 2.2434 2.8268 2.8268 2.9432 2.9432 3.3408 3.3408 3.5006 3.5006 3.7331 3.7331 3.8843 3.8843 3.9995 3.9995 4.2001 4.2001 4.5673 4.5673 4.7076 4.7076 5.0493 5.0493 5.0723 5.0723 7.1482 7.1482 7.1540 7.1540 7.6194 7.6194 7.7156 7.7156 8.3558 8.3558 8.3648 8.3648 8.4863 8.4863 k = 0.3205 0.2402-0.0000 ( 16128 PWs) bands (ev): -8.2968 -8.2968 -8.2964 -8.2964 -7.2517 -7.2517 -7.2482 -7.2482 -6.9669 -6.9669 -6.9656 -6.9656 -6.7843 -6.7843 -6.7790 -6.7790 -4.0179 -4.0179 -4.0131 -4.0131 -2.7738 -2.7738 -2.7651 -2.7651 0.2167 0.2167 0.2288 0.2288 0.6217 0.6217 0.6822 0.6822 0.8051 0.8051 0.8825 0.8825 1.3363 1.3363 1.3407 1.3407 1.8928 1.8928 1.9807 1.9807 2.2392 2.2392 2.2524 2.2524 2.8442 2.8442 2.9578 2.9578 3.3588 3.3588 3.5092 3.5092 3.7733 3.7733 3.9157 3.9157 4.0444 4.0444 4.2495 4.2495 4.5808 4.5808 4.7252 4.7252 5.0630 5.0630 5.0847 5.0847 7.1018 7.1018 7.1127 7.1127 7.5595 7.5595 7.6569 7.6569 8.3339 8.3339 8.3495 8.3495 8.4736 8.4736 k = 0.3077 0.2402-0.0000 ( 16138 PWs) bands (ev): -8.3408 -8.3408 -8.3405 -8.3405 -7.2521 -7.2521 -7.2486 -7.2486 -6.9824 -6.9824 -6.9810 -6.9810 -6.7719 -6.7719 -6.7665 -6.7665 -4.0236 -4.0236 -4.0189 -4.0189 -2.7156 -2.7156 -2.7070 -2.7070 0.2396 0.2396 0.2548 0.2548 0.6137 0.6137 0.6708 0.6708 0.8532 0.8532 0.9249 0.9249 1.3483 1.3483 1.3524 1.3524 1.8993 1.8993 1.9842 1.9842 2.2529 2.2529 2.2647 2.2647 2.8652 2.8652 2.9753 2.9753 3.3748 3.3748 3.5142 3.5142 3.8119 3.8119 3.9441 3.9441 4.0889 4.0889 4.2955 4.2955 4.6016 4.6016 4.7473 4.7473 5.0756 5.0756 5.0960 5.0960 7.0581 7.0581 7.0736 7.0736 7.4973 7.4973 7.5958 7.5958 8.3003 8.3003 8.3401 8.3401 8.4591 8.4591 k = 0.2949 0.2402-0.0000 ( 16134 PWs) bands (ev): -8.3836 -8.3836 -8.3833 -8.3833 -7.2546 -7.2546 -7.2512 -7.2512 -6.9985 -6.9985 -6.9970 -6.9970 -6.7598 -6.7598 -6.7543 -6.7543 -4.0266 -4.0266 -4.0220 -4.0220 -2.6588 -2.6588 -2.6503 -2.6503 0.2638 0.2638 0.2832 0.2832 0.5961 0.5961 0.6504 0.6504 0.9143 0.9143 0.9795 0.9795 1.3618 1.3618 1.3661 1.3661 1.9054 1.9054 1.9849 1.9849 2.2719 2.2719 2.2813 2.2813 2.8894 2.8894 2.9954 2.9954 3.3884 3.3884 3.5159 3.5159 3.8481 3.8481 3.9692 3.9692 4.1321 4.1321 4.3364 4.3364 4.6300 4.6300 4.7737 4.7737 5.0870 5.0870 5.1062 5.1062 7.0174 7.0174 7.0371 7.0371 7.4336 7.4336 7.5331 7.5331 8.2640 8.2640 8.3276 8.3276 8.4418 8.4418 k = 0.2821 0.2402-0.0000 ( 16142 PWs) bands (ev): -8.4251 -8.4251 -8.4247 -8.4247 -7.2590 -7.2590 -7.2556 -7.2556 -7.0149 -7.0149 -7.0134 -7.0134 -6.7482 -6.7482 -6.7426 -6.7426 -4.0269 -4.0269 -4.0224 -4.0224 -2.6037 -2.6037 -2.5954 -2.5954 0.2884 0.2884 0.3138 0.3138 0.5737 0.5737 0.6290 0.6290 0.9806 0.9806 1.0410 1.0410 1.3772 1.3772 1.3821 1.3821 1.9111 1.9111 1.9831 1.9831 2.2960 2.2960 2.3037 2.3037 2.9163 2.9163 3.0178 3.0178 3.3995 3.3995 3.5147 3.5147 3.8811 3.8811 3.9910 3.9910 4.1732 4.1732 4.3714 4.3714 4.6654 4.6654 4.8041 4.8041 5.0971 5.0971 5.1153 5.1153 6.9802 6.9802 7.0033 7.0033 7.3691 7.3691 7.4698 7.4698 8.2256 8.2256 8.3115 8.3115 8.4207 8.4207 k = 0.2692 0.2402-0.0000 ( 16146 PWs) bands (ev): -8.4651 -8.4651 -8.4648 -8.4648 -7.2649 -7.2649 -7.2615 -7.2615 -7.0315 -7.0315 -7.0300 -7.0300 -6.7374 -6.7374 -6.7319 -6.7319 -4.0248 -4.0248 -4.0205 -4.0205 -2.5506 -2.5506 -2.5425 -2.5425 0.3125 0.3125 0.3464 0.3464 0.5497 0.5497 0.6099 0.6099 1.0491 1.0491 1.1059 1.1059 1.3949 1.3949 1.4005 1.4005 1.9170 1.9170 1.9799 1.9799 2.3236 2.3236 2.3329 2.3329 2.9456 2.9456 3.0421 3.0421 3.4079 3.4079 3.5110 3.5110 3.9101 3.9101 4.0092 4.0092 4.2116 4.2116 4.4007 4.4007 4.7065 4.7065 4.8381 4.8381 5.1059 5.1059 5.1232 5.1232 6.9469 6.9469 6.9725 6.9725 7.3050 7.3050 7.4071 7.4071 8.1856 8.1856 8.2917 8.2917 8.3882 8.3882 k = 0.2564 0.2402-0.0000 ( 16118 PWs) bands (ev): -8.5037 -8.5037 -8.5034 -8.5034 -7.2719 -7.2719 -7.2686 -7.2686 -7.0482 -7.0482 -7.0467 -7.0467 -6.7276 -6.7276 -6.7221 -6.7221 -4.0206 -4.0206 -4.0164 -4.0164 -2.4997 -2.4997 -2.4918 -2.4918 0.3343 0.3343 0.3798 0.3798 0.5265 0.5265 0.5958 0.5958 1.1184 1.1184 1.1711 1.1711 1.4152 1.4152 1.4216 1.4216 1.9240 1.9240 1.9768 1.9768 2.3548 2.3548 2.3680 2.3680 2.9768 2.9768 3.0679 3.0679 3.4138 3.4138 3.5053 3.5053 3.9343 3.9343 4.0233 4.0233 4.2466 4.2466 4.4250 4.4250 4.7510 4.7510 4.8750 4.8750 5.1131 5.1131 5.1299 5.1299 6.9177 6.9177 6.9448 6.9448 7.2424 7.2424 7.3462 7.3462 8.1445 8.1445 8.2679 8.2679 8.3502 8.3502 k = 0.2436 0.2402-0.0000 ( 16106 PWs) bands (ev): -8.5408 -8.5408 -8.5405 -8.5405 -7.2797 -7.2797 -7.2766 -7.2766 -7.0648 -7.0648 -7.0633 -7.0633 -6.7189 -6.7189 -6.7135 -6.7135 -4.0145 -4.0145 -4.0105 -4.0105 -2.4511 -2.4511 -2.4435 -2.4435 0.3513 0.3513 0.4106 0.4106 0.5086 0.5086 0.5895 0.5895 1.1867 1.1867 1.2335 1.2335 1.4387 1.4387 1.4462 1.4462 1.9335 1.9335 1.9755 1.9755 2.3897 2.3897 2.4073 2.4073 3.0096 3.0096 3.0947 3.0947 3.4177 3.4177 3.4982 3.4982 3.9533 3.9533 4.0329 4.0329 4.2779 4.2779 4.4451 4.4451 4.7965 4.7965 4.9136 4.9136 5.1187 5.1187 5.1354 5.1354 6.8926 6.8926 6.9201 6.9201 7.1828 7.1828 7.2881 7.2881 8.1028 8.1028 8.2402 8.2402 8.3102 8.3102 k = 0.2308 0.2402-0.0000 ( 16070 PWs) bands (ev): -8.5763 -8.5763 -8.5760 -8.5760 -7.2882 -7.2882 -7.2851 -7.2851 -7.0813 -7.0813 -7.0798 -7.0798 -6.7113 -6.7113 -6.7060 -6.7060 -4.0068 -4.0068 -4.0030 -4.0030 -2.4050 -2.4050 -2.3977 -2.3977 0.3609 0.3609 0.4264 0.4264 0.5088 0.5088 0.5941 0.5941 1.2523 1.2523 1.2892 1.2892 1.4657 1.4657 1.4762 1.4762 1.9471 1.9471 1.9779 1.9779 2.4281 2.4281 2.4496 2.4496 3.0435 3.0435 3.1220 3.1220 3.4201 3.4201 3.4902 3.4902 3.9666 3.9666 4.0374 4.0374 4.3052 4.3052 4.4618 4.4618 4.8407 4.8407 4.9527 4.9527 5.1229 5.1229 5.1399 5.1399 6.8710 6.8710 6.8983 6.8983 7.1279 7.1279 7.2343 7.2343 8.0612 8.0612 8.2089 8.2089 8.2683 8.2683 k = 0.2179 0.2402-0.0000 ( 16074 PWs) bands (ev): -8.6102 -8.6102 -8.6099 -8.6099 -7.2971 -7.2971 -7.2941 -7.2941 -7.0974 -7.0974 -7.0961 -7.0961 -6.7048 -6.7048 -6.6997 -6.6997 -3.9978 -3.9978 -3.9942 -3.9942 -2.3616 -2.3616 -2.3545 -2.3545 0.3617 0.3617 0.4180 0.4180 0.5367 0.5367 0.6108 0.6108 1.3126 1.3126 1.3347 1.3347 1.4959 1.4959 1.5138 1.5138 1.9668 1.9668 1.9861 1.9861 2.4695 2.4695 2.4940 2.4940 3.0779 3.0779 3.1491 3.1491 3.4220 3.4220 3.4819 3.4819 3.9745 3.9745 4.0367 4.0367 4.3282 4.3282 4.4752 4.4752 4.8815 4.8815 4.9906 4.9906 5.1257 5.1257 5.1436 5.1436 6.8519 6.8519 6.8792 6.8792 7.0802 7.0802 7.1860 7.1860 8.0201 8.0201 8.1737 8.1737 8.2248 8.2248 k = 0.2051 0.2402-0.0000 ( 16062 PWs) bands (ev): -8.6423 -8.6423 -8.6420 -8.6420 -7.3062 -7.3062 -7.3034 -7.3034 -7.1132 -7.1132 -7.1119 -7.1119 -6.6995 -6.6995 -6.6945 -6.6945 -3.9878 -3.9878 -3.9843 -3.9843 -2.3208 -2.3208 -2.3142 -2.3142 0.3550 0.3550 0.3989 0.3989 0.5788 0.5788 0.6385 0.6385 1.3638 1.3638 1.3696 1.3696 1.5298 1.5298 1.5584 1.5584 1.9931 1.9931 2.0032 2.0032 2.5132 2.5132 2.5395 2.5395 3.1117 3.1117 3.1748 3.1748 3.4244 3.4244 3.4741 3.4741 3.9772 3.9772 4.0306 4.0306 4.3467 4.3467 4.4855 4.4855 4.9170 4.9170 5.0249 5.0249 5.1282 5.1282 5.1470 5.1470 6.8333 6.8333 6.8627 6.8627 7.0425 7.0425 7.1443 7.1443 7.9801 7.9801 8.1334 8.1334 8.1813 8.1813 k = 0.1923 0.2402-0.0000 ( 16054 PWs) bands (ev): -8.6727 -8.6727 -8.6724 -8.6724 -7.3154 -7.3154 -7.3127 -7.3127 -7.1285 -7.1285 -7.1273 -7.1273 -6.6951 -6.6951 -6.6904 -6.6904 -3.9770 -3.9770 -3.9737 -3.9737 -2.2829 -2.2829 -2.2766 -2.2766 0.3434 0.3434 0.3774 0.3774 0.6270 0.6270 0.6746 0.6746 1.3907 1.3907 1.4081 1.4081 1.5678 1.5678 1.6066 1.6066 2.0226 2.0226 2.0360 2.0360 2.5587 2.5587 2.5857 2.5857 3.1436 3.1436 3.1979 3.1979 3.4288 3.4288 3.4675 3.4675 3.9755 3.9755 4.0195 4.0195 4.3605 4.3605 4.4922 4.4922 4.9454 4.9454 5.0522 5.0522 5.1321 5.1321 5.1506 5.1506 6.8132 6.8132 6.8486 6.8486 7.0175 7.0175 7.1098 7.1098 7.9415 7.9415 8.0860 8.0860 8.1322 8.1322 k = 0.1795 0.2402-0.0000 ( 16060 PWs) bands (ev): -8.7013 -8.7013 -8.7011 -8.7011 -7.3246 -7.3246 -7.3220 -7.3220 -7.1432 -7.1432 -7.1420 -7.1420 -6.6917 -6.6917 -6.6872 -6.6872 -3.9657 -3.9657 -3.9626 -3.9626 -2.2478 -2.2478 -2.2418 -2.2418 0.3290 0.3290 0.3557 0.3557 0.6790 0.6790 0.7168 0.7168 1.4064 1.4064 1.4395 1.4395 1.6088 1.6088 1.6543 1.6543 2.0582 2.0582 2.0833 2.0833 2.6056 2.6056 2.6318 2.6318 3.1716 3.1716 3.2167 3.2167 3.4366 3.4366 3.4628 3.4628 3.9708 3.9708 4.0043 4.0043 4.3692 4.3692 4.4948 4.4948 4.9656 4.9656 5.0684 5.0684 5.1405 5.1405 5.1549 5.1549 6.7911 6.7911 6.8371 6.8371 7.0061 7.0061 7.0828 7.0828 7.9040 7.9040 8.0317 8.0317 8.0743 8.0743 k = 0.1667 0.2402-0.0000 ( 16044 PWs) bands (ev): -8.7281 -8.7281 -8.7279 -8.7279 -7.3336 -7.3336 -7.3311 -7.3311 -7.1573 -7.1573 -7.1562 -7.1562 -6.6891 -6.6891 -6.6848 -6.6848 -3.9541 -3.9541 -3.9512 -3.9512 -2.2155 -2.2155 -2.2099 -2.2099 0.3133 0.3133 0.3348 0.3348 0.7338 0.7338 0.7634 0.7634 1.4163 1.4163 1.4618 1.4618 1.6506 1.6506 1.6993 1.6993 2.1036 2.1036 2.1410 2.1410 2.6533 2.6533 2.6773 2.6773 3.1938 3.1938 3.2298 3.2298 3.4487 3.4487 3.4611 3.4611 3.9646 3.9646 3.9862 3.9862 4.3726 4.3726 4.4927 4.4927 4.9774 4.9774 5.0726 5.0726 5.1529 5.1529 5.1601 5.1601 6.7683 6.7683 6.8287 6.8287 7.0068 7.0068 7.0627 7.0627 7.8668 7.8668 7.9725 7.9725 8.0167 8.0167 k = 0.1538 0.2402-0.0000 ( 16060 PWs) bands (ev): -8.7531 -8.7531 -8.7528 -8.7528 -7.3422 -7.3422 -7.3400 -7.3400 -7.1706 -7.1706 -7.1696 -7.1696 -6.6872 -6.6872 -6.6832 -6.6832 -3.9425 -3.9425 -3.9399 -3.9399 -2.1860 -2.1860 -2.1808 -2.1808 0.2974 0.2974 0.3148 0.3148 0.7908 0.7908 0.8130 0.8130 1.4219 1.4219 1.4770 1.4770 1.6913 1.6913 1.7408 1.7408 2.1582 2.1582 2.2070 2.2070 2.7013 2.7013 2.7218 2.7218 3.2088 3.2088 3.2360 3.2360 3.4578 3.4578 3.4695 3.4695 3.9585 3.9585 3.9678 3.9678 4.3703 4.3703 4.4848 4.4848 4.9817 4.9817 5.0687 5.0687 5.1625 5.1625 5.1681 5.1681 6.7469 6.7469 6.8236 6.8236 7.0168 7.0168 7.0487 7.0487 7.8275 7.8275 7.9107 7.9107 7.9641 7.9641 k = 0.1410 0.2402-0.0000 ( 16064 PWs) bands (ev): -8.7761 -8.7761 -8.7759 -8.7759 -7.3505 -7.3505 -7.3484 -7.3484 -7.1831 -7.1831 -7.1822 -7.1822 -6.6859 -6.6859 -6.6822 -6.6822 -3.9312 -3.9312 -3.9287 -3.9287 -2.1592 -2.1592 -2.1545 -2.1545 0.2817 0.2817 0.2961 0.2961 0.8494 0.8494 0.8646 0.8646 1.4244 1.4244 1.4870 1.4870 1.7300 1.7300 1.7790 1.7790 2.2202 2.2202 2.2790 2.2790 2.7487 2.7487 2.7649 2.7649 3.2166 3.2166 3.2354 3.2354 3.4595 3.4595 3.4902 3.4902 3.9482 3.9482 3.9580 3.9580 4.3619 4.3619 4.4703 4.4703 4.9804 4.9804 5.0603 5.0603 5.1666 5.1666 5.1770 5.1770 6.7288 6.7288 6.8219 6.8219 7.0329 7.0329 7.0401 7.0401 7.7828 7.7828 7.8482 7.8482 7.9215 7.9215 k = 0.1282 0.2402-0.0000 ( 16080 PWs) bands (ev): -8.7973 -8.7973 -8.7971 -8.7971 -7.3584 -7.3584 -7.3564 -7.3564 -7.1948 -7.1948 -7.1939 -7.1939 -6.6851 -6.6851 -6.6817 -6.6817 -3.9202 -3.9202 -3.9179 -3.9179 -2.1352 -2.1352 -2.1309 -2.1309 0.2668 0.2668 0.2787 0.2787 0.9090 0.9090 0.9172 0.9172 1.4247 1.4247 1.4934 1.4934 1.7662 1.7662 1.8140 1.8140 2.2874 2.2874 2.3546 2.3546 2.7940 2.7940 2.8065 2.8065 3.2182 3.2182 3.2290 3.2290 3.4602 3.4602 3.5124 3.5124 3.9363 3.9363 3.9589 3.9589 4.3473 4.3473 4.4482 4.4482 4.9754 4.9754 5.0494 5.0494 5.1680 5.1680 5.1816 5.1816 6.7148 6.7148 6.8225 6.8225 7.0359 7.0359 7.0531 7.0531 7.7318 7.7318 7.7868 7.7868 7.8915 7.8915 k = 0.1154 0.2402-0.0000 ( 16052 PWs) bands (ev): -8.8164 -8.8164 -8.8163 -8.8163 -7.3656 -7.3656 -7.3639 -7.3639 -7.2055 -7.2055 -7.2047 -7.2047 -6.6847 -6.6847 -6.6816 -6.6816 -3.9097 -3.9097 -3.9077 -3.9077 -2.1137 -2.1137 -2.1099 -2.1099 0.2529 0.2529 0.2628 0.2628 0.9687 0.9687 0.9698 0.9698 1.4237 1.4237 1.4975 1.4975 1.7997 1.7997 1.8460 1.8460 2.3574 2.3574 2.4317 2.4317 2.8350 2.8350 2.8467 2.8467 3.2145 3.2145 3.2189 3.2189 3.4605 3.4605 3.5324 3.5324 3.9319 3.9319 3.9651 3.9651 4.3263 4.3263 4.4177 4.4177 4.9685 4.9685 5.0371 5.0371 5.1668 5.1668 5.1815 5.1815 6.7053 6.7053 6.8239 6.8239 7.0370 7.0370 7.0742 7.0742 7.6769 7.6769 7.7281 7.7281 7.8726 7.8726 k = 0.1026 0.2402-0.0000 ( 16060 PWs) bands (ev): -8.8337 -8.8337 -8.8335 -8.8335 -7.3723 -7.3723 -7.3707 -7.3707 -7.2152 -7.2152 -7.2144 -7.2144 -6.6847 -6.6847 -6.6819 -6.6819 -3.9000 -3.9000 -3.8982 -3.8982 -2.0949 -2.0949 -2.0914 -2.0914 0.2402 0.2402 0.2484 0.2484 1.0212 1.0212 1.0278 1.0278 1.4220 1.4220 1.5004 1.5004 1.8306 1.8306 1.8750 1.8750 2.4281 2.4281 2.5081 2.5081 2.8700 2.8700 2.8837 2.8837 3.2043 3.2043 3.2096 3.2096 3.4615 3.4615 3.5488 3.5488 3.9374 3.9374 3.9753 3.9753 4.2994 4.2994 4.3786 4.3786 4.9613 4.9613 5.0243 5.0243 5.1631 5.1631 5.1774 5.1774 6.6997 6.6997 6.8238 6.8238 7.0435 7.0435 7.0945 7.0945 7.6221 7.6221 7.6737 7.6737 7.8620 7.8620 k = 0.0897 0.2402-0.0000 ( 16048 PWs) bands (ev): -8.8489 -8.8489 -8.8488 -8.8488 -7.3783 -7.3783 -7.3769 -7.3769 -7.2238 -7.2238 -7.2232 -7.2232 -6.6848 -6.6848 -6.6823 -6.6823 -3.8912 -3.8912 -3.8896 -3.8896 -2.0785 -2.0785 -2.0754 -2.0754 0.2288 0.2288 0.2356 0.2356 1.0704 1.0704 1.0848 1.0848 1.4206 1.4206 1.5026 1.5026 1.8585 1.8585 1.9007 1.9007 2.4972 2.4972 2.5822 2.5822 2.8991 2.8991 2.9132 2.9132 3.1923 3.1923 3.1993 3.1993 3.4663 3.4663 3.5628 3.5628 3.9528 3.9528 3.9873 3.9873 4.2677 4.2677 4.3310 4.3310 4.9547 4.9547 5.0114 5.0114 5.1574 5.1574 5.1703 5.1703 6.6976 6.6976 6.8207 6.8207 7.0553 7.0553 7.1122 7.1122 7.5705 7.5705 7.6248 7.6248 7.8571 7.8571 k = 0.0769 0.2402-0.0000 ( 16060 PWs) bands (ev): -8.8622 -8.8622 -8.8621 -8.8621 -7.3836 -7.3836 -7.3824 -7.3824 -7.2314 -7.2314 -7.2309 -7.2309 -6.6851 -6.6851 -6.6829 -6.6829 -3.8833 -3.8833 -3.8819 -3.8819 -2.0644 -2.0644 -2.0618 -2.0618 0.2188 0.2188 0.2243 0.2243 1.1162 1.1162 1.1381 1.1381 1.4205 1.4205 1.5047 1.5047 1.8836 1.8836 1.9229 1.9229 2.5625 2.5625 2.6522 2.6522 2.9214 2.9214 2.9329 2.9329 3.1815 3.1815 3.1869 3.1869 3.4794 3.4794 3.5779 3.5779 3.9754 3.9754 3.9973 3.9973 4.2333 4.2333 4.2755 4.2755 4.9492 4.9492 4.9991 4.9991 5.1504 5.1504 5.1612 5.1612 6.6984 6.6984 6.8138 6.8138 7.0713 7.0713 7.1261 7.1261 7.5245 7.5245 7.5823 7.5823 7.8562 7.8562 k = 0.0641 0.2402-0.0000 ( 16068 PWs) bands (ev): -8.8734 -8.8734 -8.8733 -8.8733 -7.3881 -7.3881 -7.3871 -7.3871 -7.2379 -7.2379 -7.2374 -7.2374 -6.6854 -6.6854 -6.6836 -6.6836 -3.8764 -3.8764 -3.8753 -3.8753 -2.0527 -2.0527 -2.0505 -2.0505 0.2102 0.2102 0.2147 0.2147 1.1572 1.1572 1.1854 1.1854 1.4227 1.4227 1.5067 1.5067 1.9056 1.9056 1.9412 1.9412 2.6218 2.6218 2.7162 2.7162 2.9295 2.9295 2.9505 2.9505 3.1671 3.1671 3.1762 3.1762 3.5050 3.5050 3.5978 3.5978 3.9987 3.9987 4.0024 4.0024 4.1998 4.1998 4.2143 4.2143 4.9453 4.9453 4.9875 4.9875 5.1427 5.1427 5.1514 5.1514 6.7013 6.7013 6.8035 6.8035 7.0893 7.0893 7.1355 7.1355 7.4861 7.4861 7.5465 7.5465 7.8576 7.8576 k = 0.0513 0.2402-0.0000 ( 16062 PWs) bands (ev): -8.8826 -8.8826 -8.8825 -8.8825 -7.3919 -7.3919 -7.3910 -7.3910 -7.2432 -7.2432 -7.2429 -7.2429 -6.6857 -6.6857 -6.6842 -6.6842 -3.8707 -3.8707 -3.8698 -3.8698 -2.0431 -2.0431 -2.0414 -2.0414 0.2033 0.2033 0.2067 0.2067 1.1927 1.1927 1.2243 1.2243 1.4287 1.4287 1.5080 1.5080 1.9245 1.9245 1.9555 1.9555 2.6730 2.6730 2.7711 2.7711 2.9261 2.9261 2.9701 2.9701 3.1470 3.1470 3.1665 3.1665 3.5452 3.5452 3.6253 3.6253 3.9874 3.9874 4.0254 4.0254 4.1482 4.1482 4.1762 4.1762 4.9429 4.9429 4.9770 4.9770 5.1351 5.1351 5.1419 5.1419 6.7059 6.7059 6.7910 6.7910 7.1067 7.1067 7.1407 7.1407 7.4571 7.4571 7.5170 7.5170 7.8603 7.8603 k = 0.0385 0.2402-0.0000 ( 16070 PWs) bands (ev): -8.8898 -8.8898 -8.8897 -8.8897 -7.3948 -7.3948 -7.3942 -7.3942 -7.2474 -7.2474 -7.2471 -7.2471 -6.6859 -6.6859 -6.6848 -6.6848 -3.8661 -3.8661 -3.8654 -3.8654 -2.0357 -2.0357 -2.0344 -2.0344 0.1979 0.1979 0.2004 0.2004 1.2219 1.2219 1.2522 1.2522 1.4397 1.4397 1.5079 1.5079 1.9405 1.9405 1.9655 1.9655 2.7148 2.7148 2.8094 2.8094 2.9256 2.9256 2.9911 2.9911 3.1234 3.1234 3.1533 3.1533 3.5992 3.5992 3.6612 3.6612 3.9576 3.9576 4.0256 4.0256 4.1014 4.1014 4.1608 4.1608 4.9421 4.9421 4.9678 4.9678 5.1283 5.1283 5.1335 5.1335 6.7121 6.7121 6.7774 6.7774 7.1209 7.1209 7.1426 7.1426 7.4387 7.4387 7.4928 7.4928 7.8635 7.8635 k = 0.0256 0.2402-0.0000 ( 16088 PWs) bands (ev): -8.8949 -8.8949 -8.8949 -8.8949 -7.3968 -7.3968 -7.3964 -7.3964 -7.2504 -7.2504 -7.2502 -7.2502 -6.6861 -6.6861 -6.6854 -6.6854 -3.8628 -3.8628 -3.8623 -3.8623 -2.0304 -2.0304 -2.0295 -2.0295 0.1941 0.1941 0.1958 0.1958 1.2447 1.2447 1.2683 1.2683 1.4549 1.4549 1.5050 1.5050 1.9535 1.9535 1.9712 1.9712 2.7475 2.7475 2.8209 2.8209 2.9430 2.9430 3.0123 3.0123 3.0985 3.0985 3.1355 3.1355 3.6642 3.6642 3.7048 3.7048 3.9138 3.9138 3.9702 3.9702 4.1033 4.1033 4.1525 4.1525 4.9428 4.9428 4.9600 4.9600 5.1229 5.1229 5.1270 5.1270 6.7197 6.7197 6.7638 6.7638 7.1308 7.1308 7.1425 7.1425 7.4309 7.4309 7.4726 7.4726 7.8667 7.8667 k = 0.0128 0.2402-0.0000 ( 16058 PWs) bands (ev): -8.8980 -8.8980 -8.8980 -8.8980 -7.3980 -7.3980 -7.3978 -7.3978 -7.2521 -7.2521 -7.2520 -7.2520 -6.6861 -6.6861 -6.6857 -6.6857 -3.8608 -3.8608 -3.8605 -3.8605 -2.0272 -2.0272 -2.0267 -2.0267 0.1920 0.1920 0.1928 0.1928 1.2610 1.2610 1.2739 1.2739 1.4717 1.4717 1.4982 1.4982 1.9634 1.9634 1.9726 1.9726 2.7731 2.7731 2.8116 2.8116 2.9745 2.9745 3.0241 3.0241 3.0817 3.0817 3.1143 3.1143 3.7358 3.7358 3.7545 3.7545 3.8624 3.8624 3.8957 3.8957 4.1179 4.1179 4.1460 4.1460 4.9449 4.9449 4.9535 4.9535 5.1194 5.1194 5.1229 5.1229 6.7286 6.7286 6.7509 6.7509 7.1365 7.1365 7.1416 7.1416 7.4321 7.4321 7.4561 7.4561 7.8696 7.8696 k = 0.0000 0.2402-0.0000 ( 16066 PWs) bands (ev): -8.8990 -8.8990 -8.8990 -8.8990 -7.3984 -7.3984 -7.3983 -7.3983 -7.2527 -7.2527 -7.2527 -7.2527 -6.6861 -6.6861 -6.6860 -6.6860 -3.8601 -3.8601 -3.8600 -3.8600 -2.0260 -2.0260 -2.0258 -2.0258 0.1916 0.1916 0.1916 0.1916 1.2702 1.2702 1.2717 1.2717 1.4863 1.4863 1.4874 1.4874 1.9698 1.9698 1.9699 1.9699 2.7935 2.7935 2.7951 2.7951 3.0023 3.0023 3.0115 3.0115 3.0866 3.0866 3.0973 3.0973 3.7965 3.7965 3.8014 3.8014 3.8182 3.8182 3.8302 3.8302 4.1263 4.1263 4.1413 4.1413 4.9480 4.9480 4.9491 4.9491 5.1182 5.1182 5.1215 5.1215 6.7381 6.7381 6.7400 6.7400 7.1386 7.1386 7.1407 7.1407 7.4370 7.4370 7.4463 7.4463 7.8711 7.8711 k = 0.0000 0.2402-0.0000 ( 16066 PWs) bands (ev): -8.8990 -8.8990 -8.8990 -8.8990 -7.3984 -7.3984 -7.3983 -7.3983 -7.2527 -7.2527 -7.2527 -7.2527 -6.6861 -6.6861 -6.6860 -6.6860 -3.8601 -3.8601 -3.8600 -3.8600 -2.0260 -2.0260 -2.0258 -2.0258 0.1916 0.1916 0.1916 0.1916 1.2702 1.2702 1.2717 1.2717 1.4863 1.4863 1.4874 1.4874 1.9698 1.9698 1.9699 1.9699 2.7935 2.7935 2.7951 2.7951 3.0023 3.0023 3.0115 3.0115 3.0866 3.0866 3.0973 3.0973 3.7965 3.7965 3.8014 3.8014 3.8182 3.8182 3.8302 3.8302 4.1263 4.1263 4.1413 4.1413 4.9480 4.9480 4.9491 4.9491 5.1182 5.1182 5.1215 5.1215 6.7381 6.7381 6.7400 6.7400 7.1386 7.1386 7.1407 7.1407 7.4370 7.4370 7.4463 7.4463 7.8711 7.8711 k = 0.0000 0.2275-0.0000 ( 16062 PWs) bands (ev): -8.9102 -8.9102 -8.8880 -8.8880 -7.4012 -7.4012 -7.3949 -7.3948 -7.2628 -7.2628 -7.2408 -7.2408 -6.6923 -6.6922 -6.6820 -6.6818 -3.8863 -3.8862 -3.8339 -3.8338 -2.0562 -2.0560 -1.9986 -1.9984 0.1936 0.1937 0.1956 0.1956 1.2626 1.2651 1.2774 1.2779 1.4800 1.4817 1.4954 1.4958 1.9323 1.9327 2.0118 2.0120 2.7536 2.7543 2.8245 2.8270 2.9711 2.9847 3.0345 3.0348 3.0760 3.0842 3.1078 3.1163 3.7757 3.7816 3.8053 3.8165 3.8186 3.8212 3.8323 3.8438 4.1215 4.1310 4.1363 4.1462 4.8869 4.8889 4.9826 4.9828 5.1082 5.1112 5.1372 5.1407 6.7160 6.7182 6.7598 6.7612 7.1062 7.1084 7.1710 7.1730 7.4179 7.4253 7.4543 7.4651 7.8482 7.8573 k = 0.0000 0.2149-0.0000 ( 16064 PWs) bands (ev): -8.9215 -8.9215 -8.8774 -8.8774 -7.4028 -7.4028 -7.3916 -7.3916 -7.2703 -7.2703 -7.2278 -7.2278 -6.7006 -6.7005 -6.6800 -6.6799 -3.9123 -3.9122 -3.8081 -3.8080 -2.0888 -2.0886 -1.9743 -1.9741 0.2017 0.2018 0.2054 0.2055 1.2545 1.2579 1.2839 1.2843 1.4764 1.4786 1.5060 1.5064 1.9017 1.9022 2.0566 2.0572 2.7067 2.7067 2.8443 2.8476 2.9453 2.9607 3.0466 3.0612 3.0798 3.0799 3.1380 3.1421 3.7550 3.7617 3.7941 3.8070 3.8377 3.8403 3.8480 3.8589 4.1167 4.1314 4.1354 4.1509 4.8114 4.8141 4.9831 4.9834 5.0972 5.1002 5.1708 5.1740 6.6935 6.6958 6.7808 6.7818 7.0743 7.0766 7.2026 7.2048 7.3975 7.4031 7.4692 7.4812 7.8321 7.8424 k = 0.0000 0.2022-0.0000 ( 16070 PWs) bands (ev): -8.9328 -8.9328 -8.8671 -8.8671 -7.4027 -7.4027 -7.3896 -7.3896 -7.2740 -7.2740 -7.2142 -7.2142 -6.7110 -6.7109 -6.6803 -6.6801 -3.9381 -3.9380 -3.7826 -3.7825 -2.1233 -2.1232 -1.9533 -1.9530 0.2156 0.2158 0.2210 0.2211 1.2460 1.2504 1.2898 1.2911 1.4753 1.4779 1.5169 1.5180 1.8803 1.8807 2.1024 2.1033 2.6545 2.6547 2.8479 2.8528 2.9311 2.9461 3.0478 3.0643 3.0962 3.0994 3.1742 3.1743 3.7346 3.7420 3.7842 3.7974 3.8575 3.8591 3.8646 3.8753 4.1121 4.1267 4.1397 4.1554 4.7282 4.7314 4.9597 4.9605 5.0779 5.0812 5.2109 5.2137 6.6707 6.6730 6.8010 6.8014 7.0435 7.0461 7.2330 7.2352 7.3767 7.3807 7.4820 7.4947 7.8229 7.8341 k = 0.0000 0.1896-0.0000 ( 16076 PWs) bands (ev): -8.9440 -8.9440 -8.8574 -8.8574 -7.4007 -7.4006 -7.3900 -7.3900 -7.2730 -7.2730 -7.2002 -7.2002 -6.7233 -6.7232 -6.6826 -6.6825 -3.9633 -3.9632 -3.7578 -3.7577 -2.1594 -2.1593 -1.9355 -1.9353 0.2351 0.2353 0.2419 0.2421 1.2373 1.2426 1.2959 1.2979 1.4762 1.4791 1.5268 1.5287 1.8705 1.8706 2.1470 2.1482 2.6001 2.6005 2.8337 2.8408 2.9316 2.9444 3.0474 3.0619 3.1161 3.1244 3.2104 3.2131 3.7145 3.7226 3.7754 3.7888 3.8764 3.8778 3.8815 3.8929 4.1081 4.1226 4.1439 4.1599 4.6406 4.6443 4.9235 4.9248 5.0468 5.0506 5.2484 5.2507 6.6476 6.6497 6.8200 6.8200 7.0148 7.0177 7.2610 7.2629 7.3568 7.3597 7.4935 7.5062 7.8202 7.8318 k = 0.0000 0.1770-0.0000 ( 16078 PWs) bands (ev): -8.9550 -8.9550 -8.8481 -8.8481 -7.3966 -7.3965 -7.3931 -7.3931 -7.2669 -7.2668 -7.1862 -7.1862 -6.7375 -6.7374 -6.6872 -6.6871 -3.9878 -3.9878 -3.7338 -3.7337 -2.1965 -2.1964 -1.9210 -1.9208 0.2596 0.2598 0.2679 0.2681 1.2287 1.2347 1.3023 1.3051 1.4785 1.4813 1.5344 1.5371 1.8735 1.8737 2.1872 2.1886 2.5473 2.5474 2.8098 2.8181 2.9397 2.9507 3.0478 3.0606 3.1368 3.1482 3.2480 3.2522 3.6951 3.7037 3.7674 3.7809 3.8939 3.8956 3.8987 3.9115 4.1048 4.1193 4.1481 4.1644 4.5513 4.5554 4.8801 4.8819 5.0031 5.0074 5.2790 5.2809 6.6242 6.6260 6.8371 6.8376 6.9888 6.9921 7.2830 7.2831 7.3412 7.3449 7.5044 7.5165 7.8228 7.8344 k = 0.0000 0.1643-0.0000 ( 16068 PWs) bands (ev): -8.9657 -8.9657 -8.8395 -8.8395 -7.3987 -7.3987 -7.3903 -7.3903 -7.2561 -7.2560 -7.1725 -7.1724 -6.7535 -6.7534 -6.6939 -6.6937 -4.0114 -4.0113 -3.7107 -3.7106 -2.2340 -2.2339 -1.9097 -1.9094 0.2885 0.2887 0.2986 0.2988 1.2204 1.2271 1.3092 1.3127 1.4813 1.4839 1.5398 1.5429 1.8890 1.8896 2.2184 2.2196 2.5009 2.5014 2.7831 2.7917 2.9502 2.9599 3.0491 3.0604 3.1573 3.1708 3.2849 3.2901 3.6763 3.6854 3.7597 3.7733 3.9092 3.9103 3.9177 3.9309 4.1026 4.1170 4.1527 4.1694 4.4627 4.4671 4.8325 4.8350 4.9470 4.9519 5.3011 5.3027 6.6003 6.6017 6.8528 6.8535 6.9661 6.9699 7.2836 7.2876 7.3413 7.3482 7.5157 7.5266 7.8294 7.8406 k = 0.0000 0.1517-0.0000 ( 16074 PWs) bands (ev): -8.9760 -8.9760 -8.8315 -8.8315 -7.4058 -7.4058 -7.3819 -7.3818 -7.2414 -7.2413 -7.1590 -7.1590 -6.7711 -6.7709 -6.7026 -6.7025 -4.0339 -4.0338 -3.6887 -3.6886 -2.2714 -2.2713 -1.9013 -1.9010 0.3206 0.3208 0.3337 0.3340 1.2129 1.2202 1.3168 1.3208 1.4839 1.4858 1.5444 1.5474 1.9142 1.9151 2.2337 2.2345 2.4685 2.4700 2.7569 2.7651 2.9613 2.9699 3.0510 3.0610 3.1769 3.1919 3.3200 3.3258 3.6585 3.6681 3.7519 3.7655 3.9216 3.9217 3.9374 3.9506 4.1018 4.1160 4.1583 4.1753 4.3769 4.3815 4.7825 4.7859 4.8799 4.8856 5.3143 5.3156 6.5759 6.5769 6.8668 6.8676 6.9470 6.9514 7.2672 7.2732 7.3582 7.3667 7.5280 7.5372 7.8387 7.8492 k = 0.0000 0.1390-0.0000 ( 16078 PWs) bands (ev): -8.9859 -8.9859 -8.8242 -8.8242 -7.4138 -7.4138 -7.3713 -7.3713 -7.2237 -7.2236 -7.1462 -7.1462 -6.7901 -6.7900 -6.7133 -6.7132 -4.0551 -4.0550 -3.6678 -3.6677 -2.3082 -2.3081 -1.8955 -1.8953 0.3547 0.3548 0.3731 0.3733 1.2066 1.2143 1.3250 1.3295 1.4860 1.4871 1.5500 1.5524 1.9424 1.9433 2.2308 2.2310 2.4548 2.4579 2.7341 2.7416 2.9726 2.9801 3.0533 3.0619 3.1951 3.2113 3.3523 3.3586 3.6418 3.6519 3.7433 3.7566 3.9287 3.9301 3.9571 3.9703 4.1022 4.1163 4.1656 4.1827 4.2965 4.3012 4.7313 4.7356 4.8041 4.8109 5.3184 5.3196 6.5511 6.5517 6.8794 6.8801 6.9314 6.9366 7.2458 7.2530 7.3787 7.3882 7.5414 7.5487 7.8494 7.8591 k = 0.0000 0.1264-0.0000 ( 16070 PWs) bands (ev): -8.9952 -8.9952 -8.8176 -8.8176 -7.4221 -7.4221 -7.3587 -7.3587 -7.2037 -7.2036 -7.1341 -7.1341 -6.8105 -6.8104 -6.7260 -6.7259 -4.0748 -4.0748 -3.6483 -3.6482 -2.3437 -2.3437 -1.8920 -1.8918 0.3894 0.3894 0.4163 0.4165 1.2019 1.2098 1.3342 1.3390 1.4879 1.4881 1.5575 1.5592 1.9617 1.9623 2.2226 2.2228 2.4535 2.4578 2.7184 2.7247 2.9840 2.9906 3.0556 3.0629 3.2114 3.2285 3.3809 3.3879 3.6269 3.6375 3.7331 3.7460 3.9298 3.9324 3.9764 3.9895 4.1038 4.1176 4.1756 4.1924 4.2248 4.2290 4.6776 4.6823 4.7255 4.7328 5.3139 5.3149 6.5262 6.5263 6.8909 6.8915 6.9190 6.9246 7.2233 7.2313 7.3987 7.4091 7.5554 7.5608 7.8608 7.8697 k = 0.0000 0.1138-0.0000 ( 16058 PWs) bands (ev): -9.0038 -9.0038 -8.8117 -8.8117 -7.4302 -7.4302 -7.3442 -7.3441 -7.1819 -7.1818 -7.1229 -7.1229 -6.8319 -6.8318 -6.7405 -6.7404 -4.0930 -4.0930 -3.6302 -3.6301 -2.3776 -2.3775 -1.8905 -1.8903 0.4233 0.4234 0.4627 0.4629 1.1989 1.2069 1.3446 1.3495 1.4901 1.4904 1.5668 1.5679 1.9575 1.9578 2.2284 2.2296 2.4537 2.4585 2.7135 2.7186 2.9954 3.0009 3.0579 3.0636 3.2254 3.2433 3.4049 3.4126 3.6144 3.6255 3.7204 3.7327 3.9223 3.9261 3.9949 4.0079 4.1058 4.1187 4.1645 4.1682 4.1895 4.2066 4.6124 4.6128 4.6612 4.6646 5.3013 5.3023 6.5014 6.5016 6.9000 6.9021 6.9103 6.9148 7.2010 7.2096 7.4171 7.4280 7.5696 7.5733 7.8722 7.8802 k = 0.0000 0.1011-0.0000 ( 16066 PWs) bands (ev): -9.0117 -9.0117 -8.8064 -8.8064 -7.4380 -7.4380 -7.3280 -7.3279 -7.1587 -7.1586 -7.1128 -7.1128 -6.8541 -6.8540 -6.7567 -6.7566 -4.1096 -4.1095 -3.6136 -3.6135 -2.4093 -2.4092 -1.8905 -1.8903 0.4554 0.4556 0.5116 0.5118 1.1978 1.2055 1.3563 1.3612 1.4942 1.4946 1.5776 1.5783 1.9267 1.9280 2.2492 2.2523 2.4548 2.4588 2.7206 2.7248 3.0066 3.0110 3.0602 3.0641 3.2369 3.2553 3.4231 3.4315 3.6056 3.6171 3.7042 3.7153 3.9042 3.9090 4.0120 4.0247 4.1074 4.1106 4.1224 4.1289 4.2082 4.2244 4.5268 4.5310 4.6154 4.6158 5.2814 5.2823 6.4774 6.4779 6.8970 6.9054 6.9132 6.9149 7.1798 7.1885 7.4336 7.4447 7.5834 7.5855 7.8833 7.8904 k = 0.0000 0.0885-0.0000 ( 16046 PWs) bands (ev): -9.0189 -9.0189 -8.8019 -8.8019 -7.4451 -7.4451 -7.3102 -7.3102 -7.1344 -7.1343 -7.1040 -7.1040 -6.8767 -6.8766 -6.7745 -6.7743 -4.1243 -4.1243 -3.5987 -3.5986 -2.4384 -2.4383 -1.8916 -1.8914 0.4844 0.4847 0.5621 0.5623 1.1982 1.2053 1.3691 1.3739 1.5013 1.5013 1.5896 1.5904 1.8807 1.8829 2.2610 2.2667 2.4721 2.4740 2.7371 2.7407 3.0173 3.0202 3.0628 3.0644 3.2458 3.2644 3.4341 3.4428 3.6019 3.6135 3.6828 3.6923 3.8762 3.8821 4.0268 4.0388 4.0849 4.0916 4.1087 4.1256 4.2319 4.2469 4.4392 4.4458 4.5773 4.5791 5.2553 5.2562 6.4550 6.4557 6.8891 6.8973 6.9233 6.9249 7.1602 7.1687 7.4481 7.4591 7.5962 7.5971 7.8936 7.8998 k = 0.0000 0.0758-0.0000 ( 16060 PWs) bands (ev): -9.0252 -9.0252 -8.7980 -8.7980 -7.4515 -7.4515 -7.2914 -7.2913 -7.1094 -7.1093 -7.0967 -7.0967 -6.8992 -6.8991 -6.7936 -6.7935 -4.1372 -4.1372 -3.5855 -3.5854 -2.4644 -2.4644 -1.8935 -1.8933 0.5098 0.5101 0.6131 0.6133 1.1996 1.2059 1.3824 1.3869 1.5102 1.5115 1.6033 1.6044 1.8300 1.8332 2.2435 2.2508 2.5201 2.5201 2.7589 2.7621 3.0266 3.0280 3.0653 3.0661 3.2522 3.2707 3.4368 3.4451 3.6043 3.6151 3.6550 3.6620 3.8433 3.8501 4.0365 4.0460 4.0694 4.0769 4.1081 4.1246 4.2595 4.2729 4.3576 4.3657 4.5468 4.5490 5.2242 5.2252 6.4349 6.4356 6.8813 6.8891 6.9334 6.9350 7.1427 7.1507 7.4608 7.4711 7.6075 7.6076 7.9030 7.9082 k = 0.0000 0.0632-0.0000 ( 16068 PWs) bands (ev): -9.0306 -9.0306 -8.7948 -8.7948 -7.4571 -7.4570 -7.2718 -7.2717 -7.0912 -7.0912 -7.0840 -7.0839 -6.9210 -6.9209 -6.8140 -6.8138 -4.1482 -4.1482 -3.5742 -3.5741 -2.4871 -2.4871 -1.8958 -1.8956 0.5309 0.5311 0.6632 0.6634 1.2015 1.2067 1.3948 1.3989 1.5192 1.5226 1.6201 1.6221 1.7822 1.7867 2.2015 2.2091 2.5902 2.5911 2.7827 2.7857 3.0333 3.0339 3.0678 3.0708 3.2562 3.2739 3.4311 3.4379 3.6116 3.6125 3.6247 3.6290 3.8109 3.8186 4.0348 4.0404 4.0689 4.0786 4.1057 4.1214 4.2761 4.2780 4.3075 4.3124 4.5230 4.5249 5.1900 5.1910 6.4174 6.4181 6.8739 6.8810 6.9430 6.9446 7.1278 7.1349 7.4715 7.4807 7.6168 7.6172 7.9112 7.9156 k = 0.0000 0.0506-0.0000 ( 16049 PWs) bands (ev): -9.0351 -9.0351 -8.7922 -8.7922 -7.4617 -7.4617 -7.2522 -7.2521 -7.0878 -7.0878 -7.0586 -7.0585 -6.9413 -6.9412 -6.8351 -6.8350 -4.1572 -4.1572 -3.5647 -3.5647 -2.5061 -2.5061 -1.8981 -1.8980 0.5476 0.5478 0.7106 0.7107 1.2035 1.2076 1.4051 1.4091 1.5232 1.5290 1.6424 1.6451 1.7451 1.7511 2.1455 2.1530 2.6706 2.6725 2.8070 2.8098 3.0366 3.0382 3.0727 3.0764 3.2575 3.2738 3.4165 3.4210 3.5746 3.5798 3.6254 3.6366 3.7818 3.7903 4.0262 4.0296 4.0764 4.0855 4.1010 4.1143 4.2247 4.2331 4.3285 4.3388 4.5054 4.5066 5.1550 5.1560 6.4029 6.4035 6.8673 6.8733 6.9517 6.9531 7.1157 7.1217 7.4803 7.4882 7.6243 7.6250 7.9182 7.9217 k = 0.0000 0.0379-0.0000 ( 16039 PWs) bands (ev): -9.0386 -9.0386 -8.7902 -8.7902 -7.4653 -7.4653 -7.2334 -7.2334 -7.0869 -7.0868 -7.0338 -7.0337 -6.9588 -6.9588 -6.8566 -6.8565 -4.1643 -4.1643 -3.5573 -3.5573 -2.5212 -2.5211 -1.9002 -1.9001 0.5601 0.5603 0.7528 0.7529 1.2053 1.2083 1.4132 1.4170 1.5178 1.5247 1.6658 1.6677 1.7315 1.7392 2.0818 2.0891 2.7486 2.7512 2.8356 2.8376 3.0375 3.0421 3.0789 3.0819 3.2544 3.2684 3.3924 3.3935 3.5340 3.5384 3.6400 3.6503 3.7565 3.7655 4.0166 4.0187 4.0838 4.0868 4.0977 4.1019 4.1893 4.1952 4.3586 4.3677 4.4934 4.4936 5.1220 5.1230 6.3915 6.3920 6.8617 6.8664 6.9591 6.9602 7.1064 7.1111 7.4874 7.4936 7.6303 7.6310 7.9239 7.9265 k = 0.0000 0.0253-0.0000 ( 16049 PWs) bands (ev): -9.0411 -9.0411 -8.7888 -8.7888 -7.4680 -7.4680 -7.2170 -7.2170 -7.0881 -7.0881 -7.0106 -7.0106 -6.9723 -6.9723 -6.8773 -6.8772 -4.1693 -4.1693 -3.5520 -3.5520 -2.5321 -2.5320 -1.9019 -1.9018 0.5687 0.5689 0.7868 0.7869 1.2068 1.2087 1.4191 1.4226 1.5051 1.5113 1.6731 1.6744 1.7583 1.7662 2.0143 2.0213 2.8012 2.8027 2.8831 2.8847 3.0384 3.0480 3.0847 3.0855 3.2421 3.2528 3.3594 3.3614 3.5035 3.5072 3.6560 3.6656 3.7344 3.7435 4.0081 4.0092 4.0782 4.0823 4.0946 4.1003 4.1713 4.1735 4.3844 4.3914 4.4856 4.4862 5.0944 5.0952 6.3834 6.3837 6.8576 6.8608 6.9647 6.9655 7.1001 7.1033 7.4927 7.4970 7.6345 7.6351 7.9281 7.9298 k = 0.0000 0.0126-0.0000 ( 16045 PWs) bands (ev): -9.0427 -9.0427 -8.7880 -8.7880 -7.4696 -7.4696 -7.2053 -7.2053 -7.0904 -7.0904 -6.9919 -6.9918 -6.9808 -6.9808 -6.8946 -6.8945 -4.1724 -4.1724 -3.5488 -3.5488 -2.5387 -2.5386 -1.9030 -1.9029 0.5738 0.5738 0.8092 0.8093 1.2080 1.2089 1.4235 1.4258 1.4931 1.4968 1.6724 1.6731 1.8103 1.8174 1.9464 1.9532 2.8218 2.8221 2.9394 2.9447 3.0450 3.0600 3.0840 3.0872 3.2152 3.2222 3.3347 3.3371 3.4869 3.4891 3.6725 3.6809 3.7156 3.7239 4.0019 4.0024 4.0703 4.0721 4.0983 4.1020 4.1635 4.1638 4.4021 4.4061 4.4820 4.4827 5.0760 5.0764 6.3785 6.3787 6.8553 6.8570 6.9683 6.9688 7.0967 7.0983 7.4963 7.4985 7.6372 7.6375 7.9308 7.9316 k = 0.0000 0.0000 0.0000 ( 16039 PWs) bands (ev): -9.0432 -9.0432 -8.7877 -8.7877 -7.4701 -7.4701 -7.2009 -7.2009 -7.0915 -7.0915 -6.9838 -6.9838 -6.9836 -6.9836 -6.9021 -6.9021 -4.1734 -4.1734 -3.5477 -3.5477 -2.5409 -2.5409 -1.9033 -1.9033 0.5754 0.5754 0.8171 0.8171 1.2086 1.2086 1.4261 1.4261 1.4894 1.4894 1.6721 1.6721 1.8606 1.8606 1.8983 1.8983 2.8271 2.8271 2.9674 2.9674 3.0658 3.0658 3.0809 3.0809 3.1984 3.1984 3.3283 3.3283 3.4826 3.4826 3.6863 3.6863 3.7092 3.7092 3.9998 3.9998 4.0678 4.0678 4.1012 4.1012 4.1612 4.1612 4.4097 4.4097 4.4814 4.4814 5.0696 5.0696 6.3770 6.3770 6.8551 6.8551 6.9697 6.9697 7.0961 7.0961 7.4983 7.4983 7.6382 7.6382 7.9320 7.9320 k = 0.0000 0.0000 0.0000 ( 16039 PWs) bands (ev): -9.0432 -9.0432 -8.7877 -8.7877 -7.4701 -7.4701 -7.2009 -7.2009 -7.0915 -7.0915 -6.9838 -6.9838 -6.9836 -6.9836 -6.9021 -6.9021 -4.1734 -4.1734 -3.5477 -3.5477 -2.5409 -2.5409 -1.9033 -1.9033 0.5754 0.5754 0.8171 0.8171 1.2086 1.2086 1.4261 1.4261 1.4894 1.4894 1.6721 1.6721 1.8606 1.8606 1.8983 1.8983 2.8271 2.8271 2.9674 2.9674 3.0658 3.0658 3.0809 3.0809 3.1984 3.1984 3.3283 3.3283 3.4826 3.4826 3.6863 3.6863 3.7092 3.7092 3.9998 3.9998 4.0678 4.0678 4.1012 4.1012 4.1612 4.1612 4.4097 4.4097 4.4814 4.4814 5.0696 5.0696 6.3770 6.3770 6.8551 6.8551 6.9697 6.9697 7.0961 7.0961 7.4983 7.4983 7.6382 7.6382 7.9320 7.9320 k = 0.0000 0.0000 0.0126 ( 16039 PWs) bands (ev): -9.0426 -9.0426 -8.7884 -8.7884 -7.4702 -7.4702 -7.1993 -7.1993 -7.0956 -7.0956 -6.9878 -6.9877 -6.9766 -6.9765 -6.9022 -6.9022 -4.1727 -4.1727 -3.5506 -3.5505 -2.5382 -2.5381 -1.9042 -1.9042 0.5749 0.5749 0.8159 0.8160 1.2090 1.2091 1.4229 1.4260 1.4921 1.4951 1.6733 1.6737 1.8604 1.8627 1.8984 1.8999 2.8224 2.8231 2.9653 2.9661 3.0631 3.0684 3.0815 3.0847 3.1956 3.1976 3.3273 3.3277 3.4811 3.4813 3.6801 3.6848 3.7085 3.7137 3.9943 3.9986 4.0569 4.0602 4.1047 4.1058 4.1582 4.1640 4.4180 4.4180 4.4904 4.4946 5.0692 5.0692 6.3751 6.3752 6.8496 6.8517 6.9693 6.9709 7.0946 7.0972 7.4962 7.4974 7.6363 7.6388 7.9252 7.9267 k = 0.0000 0.0000 0.0252 ( 16037 PWs) bands (ev): -9.0410 -9.0410 -8.7906 -8.7906 -7.4705 -7.4705 -7.1944 -7.1943 -7.1066 -7.1066 -6.9896 -6.9896 -6.9666 -6.9666 -6.9025 -6.9025 -4.1706 -4.1705 -3.5591 -3.5590 -2.5302 -2.5301 -1.9070 -1.9069 0.5733 0.5735 0.8124 0.8127 1.2101 1.2103 1.4179 1.4231 1.5026 1.5074 1.6775 1.6781 1.8617 1.8663 1.9007 1.9037 2.8092 2.8106 2.9609 2.9622 3.0616 3.0680 3.0876 3.0904 3.1897 3.1932 3.3253 3.3262 3.4770 3.4772 3.6694 3.6760 3.7108 3.7180 3.9857 3.9919 4.0320 4.0371 4.1110 4.1196 4.1616 4.1617 4.4425 4.4426 4.5183 4.5251 5.0680 5.0681 6.3695 6.3698 6.8361 6.8397 6.9698 6.9726 7.0927 7.0977 7.4913 7.4935 7.6331 7.6380 7.9093 7.9121 k = 0.0000 0.0000 0.0378 ( 16033 PWs) bands (ev): -9.0384 -9.0384 -8.7941 -8.7941 -7.4709 -7.4708 -7.1865 -7.1864 -7.1224 -7.1224 -6.9903 -6.9902 -6.9551 -6.9550 -6.9030 -6.9030 -4.1670 -4.1669 -3.5728 -3.5727 -2.5172 -2.5170 -1.9115 -1.9114 0.5710 0.5713 0.8067 0.8072 1.2120 1.2122 1.4125 1.4186 1.5185 1.5243 1.6847 1.6856 1.8638 1.8704 1.9064 1.9104 2.7880 2.7902 2.9563 2.9578 3.0604 3.0659 3.0940 3.0956 3.1815 3.1855 3.3230 3.3247 3.4699 3.4699 3.6557 3.6632 3.7109 3.7190 3.9760 3.9812 4.0067 4.0110 4.1048 4.1274 4.1687 4.1805 4.4801 4.4801 4.5579 4.5661 5.0660 5.0661 6.3607 6.3610 6.8156 6.8199 6.9709 6.9742 7.0905 7.0976 7.4836 7.4868 7.6279 7.6346 7.8897 7.8935 k = 0.0000 0.0000 0.0505 ( 16033 PWs) bands (ev): -9.0347 -9.0347 -8.7990 -8.7989 -7.4710 -7.4709 -7.1759 -7.1759 -7.1411 -7.1410 -6.9903 -6.9903 -6.9432 -6.9431 -6.9036 -6.9036 -4.1618 -4.1618 -3.5913 -3.5912 -2.4997 -2.4995 -1.9180 -1.9178 0.5683 0.5686 0.7990 0.7996 1.2148 1.2150 1.4072 1.4137 1.5377 1.5440 1.6953 1.6963 1.8661 1.8737 1.9170 1.9213 2.7601 2.7630 2.9526 2.9542 3.0588 3.0628 3.0958 3.0971 3.1731 3.1763 3.3210 3.3241 3.4589 3.4597 3.6394 3.6478 3.7057 3.7143 3.9636 3.9644 3.9922 3.9931 4.0921 4.1176 4.1980 4.2113 4.5256 4.5256 4.6039 4.6126 5.0630 5.0631 6.3489 6.3492 6.7892 6.7937 6.9723 6.9757 7.0881 7.0968 7.4732 7.4774 7.6192 7.6272 7.8709 7.8758 k = 0.0000 0.0000 0.0631 ( 16033 PWs) bands (ev): -9.0300 -9.0300 -8.8051 -8.8051 -7.4706 -7.4705 -7.1645 -7.1644 -7.1602 -7.1601 -6.9900 -6.9900 -6.9318 -6.9317 -6.9043 -6.9043 -4.1551 -4.1551 -3.6138 -3.6137 -2.4784 -2.4781 -1.9263 -1.9261 0.5656 0.5660 0.7893 0.7901 1.2186 1.2187 1.4018 1.4084 1.5587 1.5653 1.7094 1.7104 1.8681 1.8759 1.9334 1.9370 2.7269 2.7304 2.9501 2.9518 3.0560 3.0578 3.0901 3.0914 3.1670 3.1680 3.3191 3.3243 3.4440 3.4466 3.6214 3.6307 3.6950 3.7035 3.9462 3.9481 3.9852 3.9863 4.0826 4.1075 4.2360 4.2485 4.5748 4.5750 4.6527 4.6613 5.0586 5.0588 6.3347 6.3351 6.7579 6.7620 6.9741 6.9772 7.0856 7.0955 7.4603 7.4653 7.6056 7.6142 7.8562 7.8623 k = 0.0000 0.0000 0.0757 ( 16029 PWs) bands (ev): -9.0243 -9.0243 -8.8124 -8.8124 -7.4694 -7.4694 -7.1833 -7.1832 -7.1483 -7.1483 -6.9895 -6.9895 -6.9215 -6.9214 -6.9052 -6.9052 -4.1467 -4.1466 -3.6398 -3.6396 -2.4538 -2.4535 -1.9366 -1.9363 0.5633 0.5638 0.7778 0.7787 1.2232 1.2233 1.3963 1.4027 1.5800 1.5870 1.7267 1.7276 1.8704 1.8778 1.9554 1.9579 2.6896 2.6937 2.9484 2.9504 3.0478 3.0500 3.0783 3.0793 3.1627 3.1637 3.3155 3.3237 3.4262 3.4320 3.6025 3.6126 3.6813 3.6894 3.9278 3.9302 3.9848 3.9861 4.0807 4.1033 4.2785 4.2899 4.6253 4.6258 4.7018 4.7101 5.0528 5.0529 6.3190 6.3193 6.7224 6.7260 6.9765 6.9791 7.0834 7.0941 7.4450 7.4507 7.5862 7.5948 7.8477 7.8551 k = 0.0000 0.0000 0.0883 ( 16023 PWs) bands (ev): -9.0177 -9.0177 -8.8208 -8.8208 -7.4672 -7.4672 -7.2052 -7.2051 -7.1325 -7.1324 -6.9889 -6.9889 -6.9126 -6.9126 -6.9061 -6.9060 -4.1365 -4.1364 -3.6684 -3.6683 -2.4266 -2.4262 -1.9488 -1.9485 0.5618 0.5624 0.7648 0.7658 1.2288 1.2288 1.3903 1.3965 1.6009 1.6081 1.7458 1.7470 1.8742 1.8808 1.9827 1.9841 2.6497 2.6541 2.9469 2.9497 3.0281 3.0342 3.0653 3.0700 3.1596 3.1615 3.3066 3.3185 3.4095 3.4192 3.5835 3.5943 3.6685 3.6759 3.9069 3.9084 3.9913 3.9919 4.0858 4.1055 4.3244 4.3346 4.6753 4.6763 4.7495 4.7573 5.0451 5.0452 6.3027 6.3029 6.6837 6.6865 6.9799 6.9820 7.0818 7.0929 7.4275 7.4338 7.5609 7.5691 7.8462 7.8547 k = 0.0000 0.0000 0.1009 ( 16037 PWs) bands (ev): -9.0102 -9.0102 -8.8302 -8.8302 -7.4639 -7.4639 -7.2274 -7.2273 -7.1158 -7.1157 -6.9884 -6.9883 -6.9070 -6.9069 -6.9055 -6.9054 -4.1245 -4.1244 -3.6991 -3.6990 -2.3973 -2.3970 -1.9631 -1.9627 0.5615 0.5622 0.7504 0.7515 1.2351 1.2353 1.3837 1.3896 1.6208 1.6282 1.7643 1.7661 1.8817 1.8870 2.0151 2.0153 2.6081 2.6128 2.9437 2.9489 3.0005 3.0052 3.0580 3.0638 3.1572 3.1590 3.2898 3.3039 3.3997 3.4124 3.5651 3.5764 3.6592 3.6659 3.8833 3.8838 4.0027 4.0029 4.0951 4.1117 4.3730 4.3820 4.7236 4.7251 4.7944 4.8016 5.0351 5.0352 6.2869 6.2870 6.6423 6.6443 6.9849 6.9863 7.0810 7.0923 7.4082 7.4150 7.5309 7.5386 7.8511 7.8606 k = 0.0000 0.0000 0.1135 ( 16037 PWs) bands (ev): -9.0018 -9.0018 -8.8405 -8.8404 -7.4592 -7.4592 -7.2494 -7.2493 -7.0987 -7.0986 -6.9880 -6.9879 -6.9078 -6.9077 -6.9001 -6.9000 -4.1105 -4.1104 -3.7312 -3.7311 -2.3666 -2.3662 -1.9793 -1.9789 0.5628 0.5635 0.7350 0.7361 1.2423 1.2427 1.3764 1.3819 1.6396 1.6472 1.7787 1.7817 1.8956 1.8990 2.0509 2.0517 2.5661 2.5709 2.9304 2.9423 2.9735 2.9759 3.0526 3.0586 3.1548 3.1559 3.2661 3.2804 3.3988 3.4124 3.5476 3.5594 3.6542 3.6603 3.8582 3.8582 4.0169 4.0176 4.1058 4.1195 4.4238 4.4317 4.7690 4.7710 4.8353 4.8420 5.0227 5.0228 6.2729 6.2729 6.5990 6.6002 6.9918 6.9926 7.0814 7.0925 7.3875 7.3946 7.4978 7.5047 7.8615 7.8716 k = 0.0000 0.0000 0.1261 ( 16031 PWs) bands (ev): -8.9926 -8.9926 -8.8514 -8.8514 -7.4531 -7.4531 -7.2711 -7.2710 -7.0817 -7.0816 -6.9878 -6.9877 -6.9084 -6.9084 -6.8966 -6.8965 -4.0944 -4.0944 -3.7642 -3.7641 -2.3350 -2.3345 -1.9976 -1.9972 0.5657 0.5665 0.7188 0.7200 1.2502 1.2508 1.3683 1.3734 1.6575 1.6653 1.7865 1.7910 1.9177 1.9191 2.0895 2.0912 2.5254 2.5302 2.8951 2.9084 2.9629 2.9676 3.0471 3.0532 3.1522 3.1523 3.2399 3.2534 3.4035 3.4172 3.5313 3.5438 3.6534 3.6589 3.8328 3.8330 4.0330 4.0339 4.1159 4.1271 4.4763 4.4831 4.8101 4.8126 4.8713 4.8775 5.0078 5.0080 6.2619 6.2621 6.5547 6.5552 7.0009 7.0012 7.0830 7.0939 7.3661 7.3733 7.4632 7.4691 7.8763 7.8867 k = 0.0000 0.0000 0.1387 ( 16025 PWs) bands (ev): -8.9827 -8.9827 -8.8630 -8.8630 -7.4455 -7.4455 -7.2923 -7.2922 -7.0652 -7.0651 -6.9880 -6.9880 -6.9088 -6.9087 -6.8948 -6.8947 -4.0764 -4.0763 -3.7975 -3.7974 -2.3027 -2.3023 -2.0178 -2.0174 0.5704 0.5713 0.7020 0.7033 1.2589 1.2597 1.3596 1.3642 1.6745 1.6824 1.7879 1.7936 1.9469 1.9471 2.1286 2.1308 2.4889 2.4932 2.8463 2.8575 2.9642 2.9681 3.0406 3.0468 3.1486 3.1500 3.2151 3.2276 3.4110 3.4246 3.5165 3.5294 3.6561 3.6610 3.8083 3.8085 4.0498 4.0508 4.1242 4.1331 4.5298 4.5357 4.8449 4.8479 4.9015 4.9071 4.9913 4.9919 6.2553 6.2557 6.5099 6.5101 7.0122 7.0123 7.0858 7.0961 7.3449 7.3520 7.4285 7.4333 7.8946 7.9051 k = 0.0000 0.0000 0.1514 ( 16033 PWs) bands (ev): -8.9721 -8.9721 -8.8750 -8.8750 -7.4364 -7.4363 -7.3128 -7.3127 -7.0496 -7.0495 -6.9889 -6.9888 -6.9088 -6.9087 -6.8945 -6.8945 -4.0562 -4.0561 -3.8308 -3.8307 -2.2703 -2.2699 -2.0399 -2.0395 0.5771 0.5781 0.6851 0.6864 1.2681 1.2692 1.3502 1.3544 1.6908 1.6987 1.7847 1.7912 1.9802 1.9815 2.1631 2.1653 2.4615 2.4650 2.7907 2.8004 2.9681 2.9717 3.0331 3.0393 3.1455 3.1483 3.1939 3.2054 3.4197 3.4333 3.5029 3.5163 3.6618 3.6662 3.7851 3.7852 4.0666 4.0675 4.1297 4.1366 4.5836 4.5886 4.8694 4.8727 4.9247 4.9296 4.9768 4.9781 6.2542 6.2548 6.4654 6.4661 7.0254 7.0256 7.0892 7.0986 7.3252 7.3319 7.3952 7.3987 7.9159 7.9264 k = 0.0000 0.0000 0.1640 ( 16017 PWs) bands (ev): -8.9610 -8.9609 -8.8873 -8.8873 -7.4257 -7.4256 -7.3324 -7.3323 -7.0354 -7.0354 -6.9906 -6.9905 -6.9082 -6.9081 -6.8956 -6.8955 -4.0340 -4.0339 -3.8636 -3.8635 -2.2381 -2.2377 -2.0639 -2.0635 0.5857 0.5867 0.6683 0.6695 1.2778 1.2793 1.3403 1.3441 1.7063 1.7142 1.7784 1.7853 2.0172 2.0191 2.1846 2.1859 2.4517 2.4534 2.7312 2.7395 2.9736 2.9771 3.0246 3.0305 3.1435 3.1477 3.1771 3.1874 3.4289 3.4427 3.4905 3.5042 3.6701 3.6739 3.7633 3.7637 4.0828 4.0833 4.1321 4.1374 4.6368 4.6411 4.8747 4.8777 4.9416 4.9456 4.9713 4.9742 6.2594 6.2603 6.4227 6.4237 7.0405 7.0405 7.0922 7.1003 7.3088 7.3149 7.3646 7.3665 7.9396 7.9500 k = 0.0000 0.0000 0.1766 ( 16023 PWs) bands (ev): -8.9493 -8.9493 -8.8998 -8.8998 -7.4135 -7.4135 -7.3510 -7.3510 -7.0230 -7.0229 -6.9935 -6.9934 -6.9070 -6.9070 -6.8977 -6.8976 -4.0098 -4.0097 -3.8956 -3.8954 -2.2064 -2.2060 -2.0896 -2.0891 0.5960 0.5971 0.6519 0.6531 1.2880 1.2897 1.3300 1.3334 1.7210 1.7289 1.7698 1.7771 2.0559 2.0582 2.1850 2.1852 2.4661 2.4668 2.6699 2.6770 2.9803 2.9839 3.0154 3.0208 3.1432 3.1485 3.1643 3.1735 3.4385 3.4523 3.4791 3.4930 3.6807 3.6839 3.7431 3.7439 4.0976 4.0976 4.1312 4.1350 4.6886 4.6922 4.8568 4.8592 4.9559 4.9598 4.9742 4.9782 6.2714 6.2725 6.3828 6.3841 7.0560 7.0565 7.0931 7.0997 7.2978 7.3031 7.3381 7.3383 7.9656 7.9758 k = 0.0000 0.0000 0.1892 ( 16032 PWs) bands (ev): -8.9373 -8.9372 -8.9124 -8.9124 -7.3999 -7.3998 -7.3686 -7.3685 -7.0125 -7.0124 -6.9979 -6.9978 -6.9052 -6.9051 -6.9002 -6.9001 -3.9838 -3.9836 -3.9264 -3.9263 -2.1755 -2.1750 -2.1169 -2.1164 0.6080 0.6091 0.6362 0.6374 1.2984 1.3005 1.3195 1.3225 1.7349 1.7426 1.7594 1.7669 2.0951 2.0974 2.1645 2.1659 2.5015 2.5045 2.6091 2.6150 2.9880 2.9920 3.0059 3.0108 3.1448 3.1511 3.1550 3.1632 3.4482 3.4621 3.4683 3.4823 3.6934 3.6960 3.7246 3.7261 4.1099 4.1106 4.1271 4.1297 4.7380 4.7410 4.8243 4.8266 4.9677 4.9717 4.9768 4.9810 6.2903 6.2916 6.3468 6.3481 7.0705 7.0721 7.0902 7.0950 7.2947 7.2990 7.3158 7.3173 7.9936 8.0036 k = 0.0000 0.0000 0.2018 ( 16024 PWs) bands (ev): -8.9249 -8.9249 -8.9249 -8.9249 -7.3849 -7.3849 -7.3848 -7.3848 -7.0042 -7.0042 -7.0041 -7.0041 -6.9029 -6.9029 -6.9028 -6.9028 -3.9559 -3.9559 -3.9558 -3.9558 -2.1456 -2.1456 -2.1451 -2.1451 0.6215 0.6215 0.6227 0.6227 1.3089 1.3089 1.3115 1.3115 1.7477 1.7477 1.7554 1.7554 2.1324 2.1324 2.1346 2.1346 2.5515 2.5515 2.5561 2.5561 2.9967 2.9967 3.0010 3.0010 3.1486 3.1486 3.1559 3.1559 3.4581 3.4581 3.4721 3.4721 3.7080 3.7080 3.7101 3.7101 4.1199 4.1199 4.1215 4.1215 4.7837 4.7837 4.7863 4.7863 4.9749 4.9749 4.9791 4.9791 6.3156 6.3156 6.3170 6.3170 7.0825 7.0825 7.0855 7.0855 7.3008 7.3008 7.3038 7.3038 8.0235 8.0235 k = 0.0000 0.0000 0.2018 ( 16024 PWs) bands (ev): -8.9249 -8.9249 -8.9249 -8.9249 -7.3849 -7.3849 -7.3848 -7.3848 -7.0042 -7.0042 -7.0041 -7.0041 -6.9029 -6.9029 -6.9028 -6.9028 -3.9559 -3.9559 -3.9558 -3.9558 -2.1456 -2.1456 -2.1451 -2.1451 0.6215 0.6215 0.6227 0.6227 1.3089 1.3089 1.3115 1.3115 1.7477 1.7477 1.7554 1.7554 2.1324 2.1324 2.1346 2.1346 2.5515 2.5515 2.5561 2.5561 2.9967 2.9967 3.0010 3.0010 3.1486 3.1486 3.1559 3.1559 3.4581 3.4581 3.4721 3.4721 3.7080 3.7080 3.7101 3.7101 4.1199 4.1199 4.1215 4.1215 4.7837 4.7837 4.7863 4.7863 4.9749 4.9749 4.9791 4.9791 6.3156 6.3156 6.3170 6.3170 7.0825 7.0825 7.0855 7.0855 7.3008 7.3008 7.3038 7.3038 8.0235 8.0235 k = 0.0128-0.0000 0.2018 ( 16032 PWs) bands (ev): -8.9239 -8.9239 -8.9239 -8.9239 -7.3843 -7.3843 -7.3842 -7.3842 -7.0041 -7.0041 -7.0040 -7.0040 -6.9025 -6.9025 -6.9024 -6.9024 -3.9566 -3.9566 -3.9561 -3.9561 -2.1469 -2.1469 -2.1459 -2.1459 0.6178 0.6178 0.6252 0.6252 1.2990 1.2990 1.3037 1.3037 1.7340 1.7340 1.7793 1.7793 2.1243 2.1243 2.1414 2.1414 2.5455 2.5455 2.5618 2.5618 2.9957 2.9957 3.0010 3.0010 3.1460 3.1460 3.1553 3.1553 3.4555 3.4555 3.4732 3.4732 3.6890 3.6890 3.7280 3.7280 4.1062 4.1062 4.1247 4.1247 4.7723 4.7723 4.7947 4.7947 4.9635 4.9635 4.9906 4.9906 6.3154 6.3154 6.3284 6.3284 7.0834 7.0834 7.0920 7.0920 7.3019 7.3019 7.3088 7.3088 8.0206 8.0206 k = 0.0256-0.0000 0.2018 ( 16032 PWs) bands (ev): -8.9209 -8.9209 -8.9208 -8.9208 -7.3825 -7.3825 -7.3822 -7.3822 -7.0037 -7.0037 -7.0036 -7.0036 -6.9014 -6.9014 -6.9011 -6.9011 -3.9583 -3.9583 -3.9574 -3.9574 -2.1505 -2.1505 -2.1487 -2.1487 0.6123 0.6123 0.6270 0.6270 1.2740 1.2740 1.2789 1.2789 1.7274 1.7274 1.8130 1.8130 2.1144 2.1144 2.1473 2.1473 2.5370 2.5370 2.5696 2.5696 2.9931 2.9931 3.0007 3.0007 3.1397 3.1397 3.1522 3.1522 3.4496 3.4496 3.4743 3.4743 3.6696 3.6696 3.7445 3.7445 4.0825 4.0825 4.1176 4.1176 4.7581 4.7581 4.7996 4.7996 4.9516 4.9516 5.0035 5.0035 6.3253 6.3253 6.3514 6.3514 7.0903 7.0903 7.1069 7.1069 7.3080 7.3080 7.3212 7.3212 8.0181 8.0181 k = 0.0385-0.0000 0.2018 ( 16016 PWs) bands (ev): -8.9158 -8.9158 -8.9157 -8.9157 -7.3794 -7.3794 -7.3790 -7.3790 -7.0031 -7.0031 -7.0030 -7.0030 -6.8994 -6.8994 -6.8991 -6.8991 -3.9611 -3.9611 -3.9598 -3.9598 -2.1562 -2.1562 -2.1536 -2.1536 0.6050 0.6050 0.6277 0.6277 1.2388 1.2388 1.2406 1.2406 1.7281 1.7281 1.8479 1.8479 2.1042 2.1042 2.1504 2.1504 2.5276 2.5276 2.5785 2.5785 2.9894 2.9894 2.9996 2.9996 3.1320 3.1320 3.1461 3.1461 3.4417 3.4417 3.4716 3.4716 3.6536 3.6536 3.7579 3.7579 4.0510 4.0510 4.0988 4.0988 4.7431 4.7431 4.7983 4.7983 4.9425 4.9425 5.0159 5.0159 6.3448 6.3448 6.3843 6.3843 7.1036 7.1036 7.1292 7.1292 7.3198 7.3198 7.3401 7.3401 8.0188 8.0188 k = 0.0513-0.0000 0.2018 ( 16012 PWs) bands (ev): -8.9087 -8.9087 -8.9086 -8.9086 -7.3751 -7.3751 -7.3745 -7.3745 -7.0022 -7.0022 -7.0021 -7.0021 -6.8967 -6.8967 -6.8963 -6.8963 -3.9649 -3.9649 -3.9631 -3.9631 -2.1641 -2.1641 -2.1608 -2.1608 0.5957 0.5957 0.6267 0.6267 1.1915 1.1915 1.2001 1.2001 1.7319 1.7319 1.8788 1.8788 2.0941 2.0941 2.1493 2.1493 2.5178 2.5178 2.5889 2.5889 2.9846 2.9846 2.9974 2.9974 3.1241 3.1241 3.1377 3.1377 3.4324 3.4324 3.4620 3.4620 3.6439 3.6439 3.7668 3.7668 4.0138 4.0138 4.0687 4.0687 4.7281 4.7281 4.7895 4.7895 4.9376 4.9376 5.0276 5.0276 6.3725 6.3725 6.4258 6.4258 7.1229 7.1229 7.1582 7.1582 7.3371 7.3371 7.3652 7.3652 8.0229 8.0229 k = 0.0641-0.0000 0.2018 ( 16026 PWs) bands (ev): -8.8996 -8.8996 -8.8994 -8.8994 -7.3696 -7.3696 -7.3689 -7.3689 -7.0012 -7.0012 -7.0011 -7.0011 -6.8933 -6.8933 -6.8927 -6.8927 -3.9696 -3.9696 -3.9674 -3.9674 -2.1743 -2.1743 -2.1701 -2.1701 0.5836 0.5836 0.6236 0.6236 1.1389 1.1389 1.1585 1.1585 1.7350 1.7350 1.9011 1.9011 2.0848 2.0848 2.1432 2.1432 2.5082 2.5082 2.6010 2.6010 2.9788 2.9788 2.9939 2.9939 3.1171 3.1171 3.1286 3.1286 3.4223 3.4223 3.4446 3.4446 3.6423 3.6423 3.7685 3.7685 3.9748 3.9748 4.0280 4.0280 4.7133 4.7133 4.7732 4.7732 4.9367 4.9367 5.0388 5.0388 6.4065 6.4065 6.4741 6.4741 7.1475 7.1475 7.1930 7.1930 7.3597 7.3597 7.3962 7.3962 8.0306 8.0306 k = 0.0769-0.0000 0.2018 ( 16034 PWs) bands (ev): -8.8885 -8.8885 -8.8883 -8.8883 -7.3629 -7.3629 -7.3621 -7.3621 -7.0000 -7.0000 -6.9999 -6.9999 -6.8891 -6.8891 -6.8885 -6.8885 -3.9753 -3.9753 -3.9726 -3.9726 -2.1867 -2.1867 -2.1817 -2.1817 0.5683 0.5683 0.6177 0.6177 1.0857 1.0857 1.1179 1.1179 1.7354 1.7354 1.9113 1.9113 2.0767 2.0767 2.1316 2.1316 2.4999 2.4999 2.6139 2.6139 2.9719 2.9719 2.9885 2.9885 3.1111 3.1111 3.1206 3.1206 3.4115 3.4115 3.4215 3.4215 3.6477 3.6477 3.7584 3.7584 3.9400 3.9400 3.9782 3.9782 4.6985 4.6985 4.7507 4.7507 4.9387 4.9387 5.0494 5.0494 6.4453 6.4453 6.5274 6.5274 7.1770 7.1770 7.2326 7.2326 7.3870 7.3870 7.4321 7.4321 8.0416 8.0416 k = 0.0897-0.0000 0.2018 ( 16036 PWs) bands (ev): -8.8754 -8.8754 -8.8752 -8.8752 -7.3550 -7.3550 -7.3541 -7.3541 -6.9988 -6.9988 -6.9987 -6.9987 -6.8843 -6.8843 -6.8835 -6.8835 -3.9819 -3.9819 -3.9787 -3.9787 -2.2015 -2.2015 -2.1957 -2.1957 0.5490 0.5490 0.6078 0.6078 1.0348 1.0348 1.0803 1.0803 1.7316 1.7316 1.9078 1.9078 2.0691 2.0691 2.1143 2.1143 2.4937 2.4937 2.6262 2.6262 2.9631 2.9631 2.9807 2.9807 3.1063 3.1063 3.1153 3.1153 3.3899 3.3899 3.4070 3.4070 3.6580 3.6580 3.7311 3.7311 3.9148 3.9148 3.9228 3.9228 4.6831 4.6831 4.7231 4.7231 4.9419 4.9419 5.0593 5.0593 6.4871 6.4871 6.5840 6.5840 7.2112 7.2112 7.2757 7.2757 7.4187 7.4187 7.4720 7.4720 8.0557 8.0557 k = 0.1026-0.0000 0.2018 ( 16044 PWs) bands (ev): -8.8603 -8.8603 -8.8600 -8.8600 -7.3461 -7.3461 -7.3450 -7.3450 -6.9975 -6.9975 -6.9974 -6.9974 -6.8788 -6.8788 -6.8779 -6.8779 -3.9893 -3.9893 -3.9856 -3.9856 -2.2187 -2.2187 -2.2120 -2.2120 0.5255 0.5255 0.5927 0.5927 0.9891 0.9891 1.0473 1.0473 1.7230 1.7230 1.8917 1.8917 2.0595 2.0595 2.0921 2.0921 2.4902 2.4902 2.6354 2.6354 2.9517 2.9517 2.9711 2.9711 3.1034 3.1034 3.1128 3.1128 3.3611 3.3611 3.4022 3.4022 3.6706 3.6706 3.6875 3.6875 3.8580 3.8580 3.9066 3.9066 4.6667 4.6667 4.6912 4.6912 4.9454 4.9454 5.0685 5.0685 6.5306 6.5306 6.6424 6.6424 7.2496 7.2496 7.3208 7.3208 7.4541 7.4541 7.5147 7.5147 8.0723 8.0723 k = 0.1154-0.0000 0.2018 ( 16068 PWs) bands (ev): -8.8432 -8.8432 -8.8429 -8.8429 -7.3360 -7.3360 -7.3348 -7.3348 -6.9963 -6.9963 -6.9962 -6.9962 -6.8728 -6.8728 -6.8717 -6.8717 -3.9974 -3.9974 -3.9933 -3.9933 -2.2383 -2.2383 -2.2309 -2.2309 0.4977 0.4977 0.5714 0.5714 0.9505 0.9505 1.0197 1.0197 1.7095 1.7095 1.8654 1.8654 2.0459 2.0459 2.0661 2.0661 2.4896 2.4896 2.6390 2.6390 2.9366 2.9366 2.9606 2.9606 3.1024 3.1024 3.1118 3.1118 3.3330 3.3330 3.4029 3.4029 3.6314 3.6314 3.6864 3.6864 3.7930 3.7930 3.9044 3.9044 4.6484 4.6484 4.6557 4.6557 4.9480 4.9480 5.0766 5.0766 6.5748 6.5748 6.7010 6.7010 7.2917 7.2917 7.3659 7.3659 7.4932 7.4932 7.5589 7.5589 8.0906 8.0906 k = 0.1282-0.0000 0.2018 ( 16078 PWs) bands (ev): -8.8242 -8.8242 -8.8239 -8.8239 -7.3249 -7.3249 -7.3236 -7.3236 -6.9952 -6.9952 -6.9951 -6.9951 -6.8662 -6.8662 -6.8650 -6.8650 -4.0063 -4.0063 -4.0017 -4.0017 -2.2606 -2.2606 -2.2524 -2.2524 0.4661 0.4661 0.5436 0.5436 0.9199 0.9199 0.9977 0.9977 1.6909 1.6909 1.8310 1.8310 2.0272 2.0272 2.0375 2.0375 2.4912 2.4912 2.6343 2.6343 2.9173 2.9173 2.9509 2.9509 3.1018 3.1018 3.1112 3.1112 3.3080 3.3080 3.4093 3.4093 3.5724 3.5724 3.6971 3.6971 3.7317 3.7317 3.9067 3.9067 4.6157 4.6157 4.6292 4.6292 4.9494 4.9494 5.0834 5.0834 6.6188 6.6188 6.7588 6.7588 7.3368 7.3368 7.4087 7.4087 7.5359 7.5359 7.6038 7.6038 8.1095 8.1095 k = 0.1410-0.0000 0.2018 ( 16056 PWs) bands (ev): -8.8033 -8.8033 -8.8030 -8.8030 -7.3129 -7.3129 -7.3115 -7.3115 -6.9943 -6.9943 -6.9942 -6.9942 -6.8591 -6.8591 -6.8578 -6.8578 -4.0156 -4.0156 -4.0106 -4.0106 -2.2854 -2.2854 -2.2765 -2.2765 0.4314 0.4314 0.5099 0.5099 0.8973 0.8973 0.9810 0.9810 1.6673 1.6673 1.7902 1.7902 2.0036 2.0036 2.0079 2.0079 2.4938 2.4938 2.6199 2.6199 2.8935 2.8935 2.9434 2.9434 3.0996 3.0996 3.1091 3.1091 3.2881 3.2881 3.4202 3.4202 3.5149 3.5149 3.6552 3.6552 3.7249 3.7249 3.9113 3.9113 4.5734 4.5734 4.6072 4.6072 4.9488 4.9488 5.0886 5.0886 6.6620 6.6620 6.8148 6.8148 7.3838 7.3838 7.4471 7.4471 7.5825 7.5825 7.6488 7.6488 8.1284 8.1284 k = 0.1538-0.0000 0.2018 ( 16062 PWs) bands (ev): -8.7805 -8.7805 -8.7801 -8.7801 -7.3000 -7.3000 -7.2986 -7.2986 -6.9938 -6.9938 -6.9936 -6.9936 -6.8516 -6.8516 -6.8501 -6.8501 -4.0254 -4.0254 -4.0199 -4.0199 -2.3129 -2.3129 -2.3032 -2.3032 0.3947 0.3947 0.4718 0.4718 0.8814 0.8814 0.9689 0.9689 1.6392 1.6392 1.7443 1.7443 1.9758 1.9758 1.9790 1.9790 2.4960 2.4960 2.5957 2.5957 2.8656 2.8656 2.9385 2.9385 3.0945 3.0945 3.1033 3.1033 3.2741 3.2741 3.4212 3.4212 3.4757 3.4757 3.5949 3.5949 3.7408 3.7408 3.9170 3.9170 4.5283 4.5283 4.5837 4.5837 4.9459 4.9459 5.0919 5.0919 6.7038 6.7038 6.8684 6.8684 7.4314 7.4314 7.4801 7.4801 7.6322 7.6322 7.6935 7.6935 8.1467 8.1467 k = 0.1667-0.0000 0.2018 ( 16074 PWs) bands (ev): -8.7558 -8.7558 -8.7554 -8.7554 -7.2864 -7.2864 -7.2849 -7.2849 -6.9936 -6.9936 -6.9933 -6.9933 -6.8438 -6.8438 -6.8422 -6.8422 -4.0355 -4.0355 -4.0295 -4.0295 -2.3431 -2.3431 -2.3328 -2.3328 0.3571 0.3571 0.4311 0.4311 0.8704 0.8704 0.9605 0.9605 1.6069 1.6069 1.6942 1.6942 1.9470 1.9470 1.9499 1.9499 2.4957 2.4957 2.5626 2.5626 2.8349 2.8349 2.9355 2.9355 3.0849 3.0849 3.0934 3.0934 3.2640 3.2640 3.3833 3.3833 3.4842 3.4842 3.5409 3.5409 3.7581 3.7581 3.9234 3.9234 4.4812 4.4812 4.5588 4.5588 4.9405 4.9405 5.0928 5.0928 6.7440 6.7440 6.9190 6.9190 7.4781 7.4781 7.5077 7.5077 7.6837 7.6837 7.7376 7.7376 8.1649 8.1649 k = 0.1795-0.0000 0.2018 ( 16090 PWs) bands (ev): -8.7293 -8.7293 -8.7289 -8.7289 -7.2721 -7.2721 -7.2706 -7.2706 -6.9939 -6.9939 -6.9935 -6.9935 -6.8357 -6.8357 -6.8339 -6.8339 -4.0457 -4.0457 -4.0392 -4.0392 -2.3761 -2.3761 -2.3650 -2.3650 0.3196 0.3196 0.3895 0.3895 0.8626 0.8626 0.9548 0.9548 1.5711 1.5711 1.6411 1.6411 1.9185 1.9185 1.9210 1.9210 2.4903 2.4903 2.5228 2.5228 2.8036 2.8036 2.9337 2.9337 3.0683 3.0683 3.0820 3.0820 3.2523 3.2523 3.3361 3.3361 3.4962 3.4962 3.5130 3.5130 3.7758 3.7758 3.9302 3.9302 4.4328 4.4328 4.5332 4.5332 4.9322 4.9322 5.0912 5.0912 6.7823 6.7823 6.9666 6.9666 7.5214 7.5214 7.5318 7.5318 7.7352 7.7352 7.7803 7.7803 8.1840 8.1840 k = 0.1923-0.0000 0.2018 ( 16066 PWs) bands (ev): -8.7010 -8.7010 -8.7005 -8.7005 -7.2572 -7.2572 -7.2557 -7.2557 -6.9947 -6.9947 -6.9942 -6.9942 -6.8274 -6.8274 -6.8255 -6.8255 -4.0558 -4.0558 -4.0489 -4.0489 -2.4118 -2.4118 -2.4001 -2.4001 0.2830 0.2830 0.3484 0.3484 0.8564 0.8564 0.9509 0.9509 1.5328 1.5328 1.5861 1.5861 1.8888 1.8888 1.8955 1.8955 2.4698 2.4698 2.4852 2.4852 2.7750 2.7750 2.9320 2.9320 3.0461 3.0461 3.0690 3.0690 3.2321 3.2321 3.2922 3.2922 3.4720 3.4720 3.5426 3.5426 3.7936 3.7936 3.9374 3.9374 4.3840 4.3840 4.5075 4.5075 4.9210 4.9210 5.0869 5.0869 6.8186 6.8186 7.0109 7.0109 7.5472 7.5472 7.5665 7.5665 7.7849 7.7849 7.8207 7.8207 8.2057 8.2057 k = 0.2051-0.0000 0.2018 ( 16086 PWs) bands (ev): -8.6709 -8.6709 -8.6704 -8.6704 -7.2421 -7.2421 -7.2406 -7.2406 -6.9961 -6.9961 -6.9955 -6.9955 -6.8190 -6.8190 -6.8169 -6.8169 -4.0656 -4.0656 -4.0582 -4.0582 -2.4503 -2.4503 -2.4379 -2.4379 0.2480 0.2480 0.3087 0.3087 0.8505 0.8505 0.9476 0.9476 1.4930 1.4930 1.5301 1.5301 1.8591 1.8591 1.8734 1.8734 2.4227 2.4227 2.4607 2.4607 2.7524 2.7524 2.9294 2.9294 3.0204 3.0204 3.0533 3.0533 3.2006 3.2006 3.2532 3.2532 3.4644 3.4644 3.5745 3.5745 3.8113 3.8113 3.9449 3.9449 4.3360 4.3360 4.4826 4.4826 4.9068 4.9068 5.0797 5.0797 6.8526 6.8526 7.0519 7.0519 7.5633 7.5633 7.6042 7.6042 7.8316 7.8316 7.8573 7.8573 8.2316 8.2316 k = 0.2179-0.0000 0.2018 ( 16080 PWs) bands (ev): -8.6391 -8.6391 -8.6386 -8.6386 -7.2268 -7.2268 -7.2255 -7.2255 -6.9981 -6.9981 -6.9972 -6.9972 -6.8106 -6.8106 -6.8084 -6.8084 -4.0749 -4.0749 -4.0670 -4.0670 -2.4914 -2.4914 -2.4784 -2.4784 0.2153 0.2153 0.2713 0.2713 0.8437 0.8437 0.9441 0.9441 1.4530 1.4530 1.4744 1.4744 1.8301 1.8301 1.8543 1.8543 2.3698 2.3698 2.4293 2.4293 2.7377 2.7377 2.9245 2.9245 2.9929 2.9929 3.0346 3.0346 3.1612 3.1612 3.2191 3.2191 3.4702 3.4702 3.6058 3.6058 3.8287 3.8287 3.9523 3.9523 4.2902 4.2902 4.4592 4.4592 4.8899 4.8899 5.0695 5.0695 6.8845 6.8845 7.0896 7.0896 7.5765 7.5765 7.6385 7.6385 7.8741 7.8741 7.8886 7.8886 8.2628 8.2628 k = 0.2308-0.0000 0.2018 ( 16096 PWs) bands (ev): -8.6057 -8.6057 -8.6052 -8.6052 -7.2118 -7.2118 -7.2106 -7.2106 -7.0006 -7.0006 -6.9994 -6.9994 -6.8022 -6.8022 -6.7998 -6.7998 -4.0834 -4.0834 -4.0750 -4.0750 -2.5351 -2.5351 -2.5216 -2.5216 0.1852 0.1852 0.2365 0.2365 0.8348 0.8348 0.9391 0.9391 1.4140 1.4140 1.4204 1.4204 1.8021 1.8021 1.8386 1.8386 2.3150 2.3150 2.3901 2.3901 2.7303 2.7303 2.9146 2.9146 2.9660 2.9660 3.0127 3.0127 3.1185 3.1185 3.1895 3.1895 3.4842 3.4842 3.6348 3.6348 3.8454 3.8454 3.9591 3.9591 4.2484 4.2484 4.4380 4.4380 4.8705 4.8705 5.0566 5.0566 6.9142 6.9142 7.1239 7.1239 7.5873 7.5873 7.6690 7.6690 7.9104 7.9104 7.9158 7.9158 8.2994 8.2994 k = 0.2436-0.0000 0.2018 ( 16098 PWs) bands (ev): -8.5706 -8.5706 -8.5700 -8.5700 -7.1975 -7.1975 -7.1966 -7.1966 -7.0034 -7.0034 -7.0018 -7.0018 -6.7940 -6.7940 -6.7915 -6.7915 -4.0908 -4.0908 -4.0820 -4.0820 -2.5814 -2.5814 -2.5673 -2.5673 0.1580 0.1580 0.2048 0.2048 0.8229 0.8229 0.9313 0.9313 1.3692 1.3692 1.3778 1.3778 1.7748 1.7748 1.8260 1.8260 2.2597 2.2597 2.3464 2.3464 2.7282 2.7282 2.8941 2.8941 2.9445 2.9445 2.9880 2.9880 3.0759 3.0759 3.1639 3.1639 3.5025 3.5025 3.6602 3.6602 3.8613 3.8613 3.9644 3.9644 4.2129 4.2129 4.4198 4.4198 4.8489 4.8489 5.0410 5.0410 6.9416 6.9416 7.1550 7.1550 7.5958 7.5958 7.6954 7.6954 7.9324 7.9324 7.9474 7.9474 8.3404 8.3404 k = 0.2564-0.0000 0.2018 ( 16106 PWs) bands (ev): -8.5340 -8.5340 -8.5334 -8.5334 -7.1845 -7.1845 -7.1840 -7.1840 -7.0061 -7.0061 -7.0039 -7.0039 -6.7861 -6.7861 -6.7834 -6.7834 -4.0970 -4.0970 -4.0877 -4.0877 -2.6300 -2.6300 -2.6155 -2.6155 0.1339 0.1339 0.1763 0.1763 0.8071 0.8071 0.9193 0.9193 1.3232 1.3232 1.3447 1.3447 1.7481 1.7481 1.8166 1.8166 2.2050 2.2050 2.3015 2.3015 2.7290 2.7290 2.8613 2.8613 2.9294 2.9294 2.9613 2.9613 3.0353 3.0353 3.1412 3.1412 3.5231 3.5231 3.6806 3.6806 3.8760 3.8760 3.9668 3.9668 4.1865 4.1865 4.4051 4.4051 4.8256 4.8256 5.0231 5.0231 6.9670 6.9670 7.1829 7.1829 7.6020 7.6020 7.7174 7.7174 7.9483 7.9483 7.9770 7.9770 8.3842 8.3842 k = 0.2692-0.0000 0.2018 ( 16102 PWs) bands (ev): -8.4958 -8.4958 -8.4952 -8.4952 -7.1739 -7.1739 -7.1737 -7.1737 -7.0079 -7.0079 -7.0051 -7.0051 -6.7784 -6.7784 -6.7756 -6.7756 -4.1015 -4.1015 -4.0917 -4.0917 -2.6808 -2.6808 -2.6659 -2.6659 0.1131 0.1131 0.1511 0.1511 0.7869 0.7869 0.9016 0.9016 1.2837 1.2837 1.3162 1.3162 1.7214 1.7214 1.8098 1.8098 2.1523 2.1523 2.2584 2.2584 2.7306 2.7306 2.8207 2.8207 2.9150 2.9150 2.9345 2.9345 2.9976 2.9976 3.1205 3.1205 3.5447 3.5447 3.6950 3.6950 3.8894 3.8894 3.9651 3.9651 4.1715 4.1715 4.3944 4.3944 4.8010 4.8010 5.0032 5.0032 6.9903 6.9903 7.2077 7.2077 7.6055 7.6055 7.7341 7.7341 7.9619 7.9619 8.0034 8.0034 8.4286 8.4286 k = 0.2821-0.0000 0.2018 ( 16098 PWs) bands (ev): -8.4562 -8.4562 -8.4556 -8.4556 -7.1672 -7.1672 -7.1665 -7.1665 -7.0080 -7.0080 -7.0045 -7.0045 -6.7712 -6.7712 -6.7682 -6.7682 -4.1042 -4.1042 -4.0940 -4.0940 -2.7337 -2.7337 -2.7184 -2.7184 0.0956 0.0956 0.1292 0.1292 0.7619 0.7619 0.8771 0.8771 1.2520 1.2520 1.2927 1.2927 1.6943 1.6943 1.8051 1.8051 2.1029 2.1029 2.2194 2.2194 2.7309 2.7309 2.7757 2.7757 2.8951 2.8951 2.9112 2.9112 2.9635 2.9635 3.1011 3.1011 3.5668 3.5668 3.7024 3.7024 3.9012 3.9012 3.9597 3.9597 4.1686 4.1686 4.3879 4.3879 4.7758 4.7758 4.9817 4.9817 7.0117 7.0117 7.2296 7.2296 7.6062 7.6062 7.7448 7.7448 7.9755 7.9755 8.0270 8.0270 8.4721 8.4721 k = 0.2949-0.0000 0.2018 ( 16106 PWs) bands (ev): -8.4153 -8.4153 -8.4146 -8.4146 -7.1651 -7.1651 -7.1639 -7.1639 -7.0054 -7.0054 -7.0011 -7.0011 -6.7645 -6.7645 -6.7613 -6.7613 -4.1048 -4.1048 -4.0941 -4.0941 -2.7884 -2.7884 -2.7728 -2.7728 0.0813 0.0813 0.1106 0.1106 0.7325 0.7325 0.8458 0.8458 1.2282 1.2282 1.2745 1.2745 1.6662 1.6662 1.8013 1.8013 2.0583 2.0583 2.1861 2.1861 2.7266 2.7266 2.7297 2.7297 2.8701 2.8701 2.8899 2.8899 2.9339 2.9339 3.0822 3.0822 3.5890 3.5890 3.7030 3.7030 3.9113 3.9113 3.9526 3.9526 4.1760 4.1760 4.3855 4.3855 4.7504 4.7504 4.9591 4.9591 7.0312 7.0312 7.2487 7.2487 7.6037 7.6037 7.7490 7.7490 7.9906 7.9906 8.0487 8.0487 8.5130 8.5130 k = 0.3077-0.0000 0.2018 ( 16092 PWs) bands (ev): -8.3730 -8.3730 -8.3723 -8.3723 -7.1685 -7.1685 -7.1668 -7.1668 -6.9994 -6.9994 -6.9945 -6.9945 -6.7584 -6.7584 -6.7550 -6.7550 -4.1030 -4.1030 -4.0919 -4.0919 -2.8448 -2.8448 -2.8289 -2.8289 0.0703 0.0703 0.0952 0.0952 0.6992 0.6992 0.8085 0.8085 1.2119 1.2119 1.2612 1.2612 1.6369 1.6369 1.7969 1.7969 2.0205 2.0205 2.1597 2.1597 2.6797 2.6797 2.7207 2.7207 2.8452 2.8452 2.8647 2.8647 2.9094 2.9094 3.0635 3.0635 3.6112 3.6112 3.6976 3.6976 3.9198 3.9198 3.9457 3.9457 4.1910 4.1910 4.3871 4.3871 4.7254 4.7254 4.9355 4.9355 7.0492 7.0492 7.2653 7.2653 7.5979 7.5979 7.7467 7.7467 8.0080 8.0080 8.0691 8.0691 8.5504 8.5504 k = 0.3205-0.0000 0.2018 ( 16106 PWs) bands (ev): -8.3295 -8.3295 -8.3288 -8.3288 -7.1775 -7.1775 -7.1755 -7.1755 -6.9899 -6.9899 -6.9846 -6.9846 -6.7530 -6.7530 -6.7494 -6.7494 -4.0987 -4.0987 -4.0871 -4.0871 -2.9025 -2.9025 -2.8864 -2.8864 0.0624 0.0624 0.0830 0.0830 0.6627 0.6627 0.7667 0.7667 1.2015 1.2015 1.2523 1.2523 1.6065 1.6065 1.7894 1.7894 1.9919 1.9919 2.1405 2.1405 2.6315 2.6315 2.7076 2.7076 2.8221 2.8221 2.8355 2.8355 2.8884 2.8884 3.0449 3.0449 3.6332 3.6332 3.6883 3.6883 3.9264 3.9264 3.9404 3.9404 4.2109 4.2109 4.3924 4.3924 4.7013 4.7013 4.9116 4.9116 7.0657 7.0657 7.2796 7.2796 7.5888 7.5888 7.7385 7.7385 8.0277 8.0277 8.0888 8.0888 8.5834 8.5834 k = 0.3333-0.0000 0.2018 ( 16116 PWs) bands (ev): -8.2849 -8.2849 -8.2841 -8.2841 -7.1916 -7.1916 -7.1895 -7.1895 -6.9776 -6.9776 -6.9721 -6.9721 -6.7483 -6.7483 -6.7446 -6.7446 -4.0915 -4.0915 -4.0795 -4.0795 -2.9614 -2.9614 -2.9450 -2.9450 0.0575 0.0575 0.0737 0.0737 0.6239 0.6239 0.7219 0.7219 1.1956 1.1956 1.2474 1.2474 1.5754 1.5754 1.7769 1.7769 1.9744 1.9744 2.1284 2.1284 2.5848 2.5848 2.6893 2.6893 2.7960 2.7960 2.8085 2.8085 2.8682 2.8682 3.0263 3.0263 3.6549 3.6549 3.6775 3.6775 3.9291 3.9291 3.9384 3.9384 4.2338 4.2338 4.4009 4.4009 4.6785 4.6785 4.8874 4.8874 7.0810 7.0810 7.2919 7.2919 7.5765 7.5765 7.7254 7.7254 8.0493 8.0493 8.1080 8.1080 8.6111 8.6111 k = 0.3462-0.0000 0.2018 ( 16116 PWs) bands (ev): -8.2392 -8.2392 -8.2384 -8.2384 -7.2103 -7.2103 -7.2081 -7.2081 -6.9633 -6.9633 -6.9576 -6.9576 -6.7445 -6.7445 -6.7406 -6.7406 -4.0813 -4.0813 -4.0689 -4.0689 -3.0211 -3.0211 -3.0046 -3.0046 0.0555 0.0555 0.0673 0.0673 0.5838 0.5838 0.6757 0.6757 1.1929 1.1929 1.2457 1.2457 1.5442 1.5442 1.7588 1.7588 1.9682 1.9682 2.1228 2.1228 2.5407 2.5407 2.6677 2.6677 2.7625 2.7625 2.7878 2.7878 2.8473 2.8473 3.0075 3.0075 3.6654 3.6654 3.6780 3.6780 3.9261 3.9261 3.9409 3.9409 4.2584 4.2584 4.4119 4.4119 4.6573 4.6573 4.8634 4.8634 7.0954 7.0954 7.3027 7.3027 7.5612 7.5612 7.7084 7.7084 8.0724 8.0724 8.1272 8.1272 8.6330 8.6330 k = 0.3590-0.0000 0.2018 ( 16132 PWs) bands (ev): -8.1926 -8.1926 -8.1918 -8.1918 -7.2330 -7.2330 -7.2309 -7.2309 -6.9476 -6.9476 -6.9418 -6.9418 -6.7416 -6.7416 -6.7376 -6.7376 -4.0680 -4.0680 -4.0553 -4.0553 -3.0814 -3.0814 -3.0648 -3.0648 0.0562 0.0562 0.0636 0.0636 0.5430 0.5430 0.6291 0.6291 1.1924 1.1924 1.2469 1.2469 1.5134 1.5134 1.7363 1.7363 1.9715 1.9715 2.1231 2.1231 2.5002 2.5002 2.6448 2.6448 2.7260 2.7260 2.7681 2.7681 2.8252 2.8252 2.9884 2.9884 3.6570 3.6570 3.6990 3.6990 3.9205 3.9205 3.9443 3.9443 4.2837 4.2837 4.4251 4.4251 4.6380 4.6380 4.8398 4.8398 7.1090 7.1090 7.3122 7.3122 7.5432 7.5432 7.6884 7.6884 8.0963 8.0963 8.1465 8.1465 8.6480 8.6480 k = 0.3718-0.0000 0.2018 ( 16132 PWs) bands (ev): -8.1452 -8.1452 -8.1444 -8.1444 -7.2592 -7.2592 -7.2572 -7.2572 -6.9311 -6.9311 -6.9253 -6.9253 -6.7396 -6.7396 -6.7355 -6.7355 -4.0515 -4.0515 -4.0384 -4.0384 -3.1421 -3.1421 -3.1254 -3.1254 0.0595 0.0595 0.0624 0.0624 0.5023 0.5023 0.5828 0.5828 1.1933 1.1933 1.2507 1.2507 1.4837 1.4837 1.7111 1.7111 1.9818 1.9818 2.1284 2.1284 2.4644 2.4644 2.6219 2.6219 2.6883 2.6883 2.7476 2.7476 2.8016 2.8016 2.9687 2.9687 3.6512 3.6512 3.7203 3.7203 3.9133 3.9133 3.9470 3.9470 4.3092 4.3092 4.4400 4.4400 4.6206 4.6206 4.8166 4.8166 7.1222 7.1222 7.3208 7.3208 7.5230 7.5230 7.6663 7.6663 8.1207 8.1207 8.1661 8.1661 8.6552 8.6552 k = 0.3846-0.0000 0.2018 ( 16138 PWs) bands (ev): -8.0971 -8.0971 -8.0962 -8.0962 -7.2886 -7.2886 -7.2867 -7.2867 -6.9142 -6.9142 -6.9085 -6.9085 -6.7388 -6.7388 -6.7345 -6.7345 -4.0317 -4.0317 -4.0182 -4.0182 -3.2029 -3.2029 -3.1861 -3.1861 0.0637 0.0637 0.0653 0.0653 0.4622 0.4622 0.5376 0.5376 1.1954 1.1954 1.2568 1.2568 1.4554 1.4554 1.6846 1.6846 1.9969 1.9969 2.1380 2.1380 2.4340 2.4340 2.5997 2.5997 2.6498 2.6498 2.7265 2.7265 2.7765 2.7765 2.9481 2.9481 3.6488 3.6488 3.7414 3.7414 3.9045 3.9045 3.9488 3.9488 4.3342 4.3342 4.4560 4.4560 4.6051 4.6051 4.7941 4.7941 7.1352 7.1352 7.3290 7.3290 7.5010 7.5010 7.6426 7.6426 8.1455 8.1455 8.1860 8.1860 8.6536 8.6536 k = 0.3974-0.0000 0.2018 ( 16120 PWs) bands (ev): -8.0484 -8.0484 -8.0474 -8.0474 -7.3209 -7.3209 -7.3191 -7.3191 -6.8974 -6.8974 -6.8916 -6.8916 -6.7390 -6.7390 -6.7345 -6.7345 -4.0086 -4.0086 -3.9947 -3.9947 -3.2634 -3.2634 -3.2467 -3.2467 0.0674 0.0674 0.0735 0.0735 0.4231 0.4231 0.4938 0.4938 1.1984 1.1984 1.2652 1.2652 1.4287 1.4287 1.6572 1.6572 2.0154 2.0154 2.1512 2.1512 2.4095 2.4095 2.5778 2.5778 2.6115 2.6115 2.7062 2.7062 2.7500 2.7500 2.9265 2.9265 3.6502 3.6502 3.7622 3.7622 3.8939 3.8939 3.9496 3.9496 4.3584 4.3584 4.4728 4.4728 4.5913 4.5913 4.7722 4.7722 7.1483 7.1483 7.3371 7.3371 7.4776 7.4776 7.6180 7.6180 8.1706 8.1706 8.2065 8.2065 8.6430 8.6430 k = 0.4103-0.0000 0.2018 ( 16112 PWs) bands (ev): -7.9992 -7.9992 -7.9982 -7.9982 -7.3558 -7.3558 -7.3541 -7.3541 -6.8808 -6.8808 -6.8751 -6.8751 -6.7403 -6.7403 -6.7357 -6.7357 -3.9821 -3.9821 -3.9679 -3.9679 -3.3235 -3.3235 -3.3068 -3.3068 0.0732 0.0732 0.0839 0.0839 0.3854 0.3854 0.4517 0.4517 1.2022 1.2022 1.2760 1.2760 1.4037 1.4037 1.6291 1.6291 2.0364 2.0364 2.1675 2.1675 2.3908 2.3908 2.5552 2.5552 2.5743 2.5743 2.6886 2.6886 2.7223 2.7223 2.9036 2.9036 3.6552 3.6552 3.7825 3.7825 3.8816 3.8816 3.9491 3.9491 4.3815 4.3815 4.4903 4.4903 4.5791 4.5791 4.7510 4.7510 7.1619 7.1619 7.3455 7.3455 7.4532 7.4532 7.5930 7.5930 8.1961 8.1961 8.2277 8.2277 8.6241 8.6241 k = 0.4231-0.0000 0.2018 ( 16088 PWs) bands (ev): -7.9497 -7.9497 -7.9487 -7.9487 -7.3931 -7.3931 -7.3914 -7.3914 -6.8646 -6.8646 -6.8589 -6.8589 -6.7428 -6.7428 -6.7381 -6.7381 -3.9523 -3.9523 -3.9379 -3.9379 -3.3828 -3.3828 -3.3661 -3.3661 0.0813 0.0813 0.0964 0.0964 0.3494 0.3494 0.4115 0.4115 1.2071 1.2071 1.2891 1.2891 1.3803 1.3803 1.6002 1.6002 2.0594 2.0594 2.1865 2.1865 2.3768 2.3768 2.5301 2.5301 2.5404 2.5404 2.6761 2.6761 2.6937 2.6937 2.8796 2.8796 3.6635 3.6635 3.8021 3.8021 3.8677 3.8677 3.9472 3.9472 4.4034 4.4034 4.5080 4.5080 4.5680 4.5680 4.7304 4.7304 7.1760 7.1760 7.3543 7.3543 7.4284 7.4284 7.5680 7.5680 8.2220 8.2220 8.2498 8.2498 8.5987 8.5987 k = 0.4359-0.0000 0.2018 ( 16108 PWs) bands (ev): -7.9000 -7.9000 -7.8990 -7.8990 -7.4326 -7.4326 -7.4310 -7.4310 -6.8490 -6.8490 -6.8433 -6.8433 -6.7466 -6.7466 -6.7418 -6.7418 -3.9193 -3.9193 -3.9046 -3.9046 -3.4412 -3.4412 -3.4245 -3.4245 0.0916 0.0916 0.1110 0.1110 0.3152 0.3152 0.3734 0.3734 1.2133 1.2133 1.3048 1.3048 1.3584 1.3584 1.5705 1.5705 2.0843 2.0843 2.2079 2.2079 2.3646 2.3646 2.5030 2.5030 2.5111 2.5111 2.6632 2.6632 2.6713 2.6713 2.8545 2.8545 3.6748 3.6748 3.8204 3.8204 3.8531 3.8531 3.9439 3.9439 4.4239 4.4239 4.5257 4.5257 4.5579 4.5579 4.7105 4.7105 7.1910 7.1910 7.3637 7.3637 7.4036 7.4036 7.5433 7.5433 8.2486 8.2486 8.2729 8.2729 8.5685 8.5685 k = 0.4487-0.0000 0.2018 ( 16114 PWs) bands (ev): -7.8503 -7.8503 -7.8493 -7.8493 -7.4740 -7.4740 -7.4725 -7.4725 -6.8341 -6.8341 -6.8285 -6.8285 -6.7515 -6.7515 -6.7466 -6.7466 -3.8832 -3.8832 -3.8682 -3.8682 -3.4982 -3.4982 -3.4817 -3.4817 0.1040 0.1040 0.1277 0.1277 0.2829 0.2829 0.3374 0.3374 1.2208 1.2208 1.3225 1.3225 1.3382 1.3382 1.5401 1.5401 2.1111 2.1111 2.2316 2.2316 2.3498 2.3498 2.4752 2.4752 2.4896 2.4896 2.6342 2.6342 2.6719 2.6719 2.8288 2.8288 3.6886 3.6886 3.8293 3.8293 3.8455 3.8455 3.9390 3.9390 4.4428 4.4428 4.5413 4.5413 4.5505 4.5505 4.6911 4.6911 7.2070 7.2070 7.3700 7.3700 7.3833 7.3833 7.5194 7.5194 8.2761 8.2761 8.2975 8.2975 8.5355 8.5355 k = 0.4615-0.0000 0.2018 ( 16124 PWs) bands (ev): -7.8008 -7.8008 -7.7997 -7.7997 -7.5171 -7.5171 -7.5157 -7.5157 -6.8201 -6.8201 -6.8146 -6.8146 -6.7577 -6.7577 -6.7527 -6.7527 -3.8440 -3.8440 -3.8287 -3.8287 -3.5538 -3.5538 -3.5374 -3.5374 0.1186 0.1186 0.1464 0.1464 0.2529 0.2529 0.3036 0.3036 1.2299 1.2299 1.3176 1.3176 1.3444 1.3444 1.5095 1.5095 2.1396 2.1396 2.2572 2.2572 2.3285 2.3285 2.4441 2.4441 2.4825 2.4825 2.6048 2.6048 2.6793 2.6793 2.8029 2.8029 3.7044 3.7044 3.8151 3.8151 3.8592 3.8592 3.9324 3.9324 4.4603 4.4603 4.5367 4.5367 4.5632 4.5632 4.6721 4.6721 7.2242 7.2242 7.3515 7.3515 7.3896 7.3896 7.4964 7.4964 8.3046 8.3046 8.3235 8.3235 8.5010 8.5010 k = 0.4744-0.0000 0.2018 ( 16114 PWs) bands (ev): -7.7517 -7.7517 -7.7505 -7.7505 -7.5617 -7.5617 -7.5604 -7.5604 -6.8070 -6.8070 -6.8016 -6.8016 -6.7651 -6.7651 -6.7600 -6.7600 -3.8020 -3.8020 -3.7865 -3.7865 -3.6076 -3.6076 -3.5914 -3.5914 0.1353 0.1353 0.1671 0.1671 0.2251 0.2251 0.2721 0.2721 1.2406 1.2406 1.2996 1.2996 1.3674 1.3674 1.4789 1.4789 2.1700 2.1700 2.2831 2.2831 2.3025 2.3025 2.4116 2.4116 2.4883 2.4883 2.5761 2.5761 2.6921 2.6921 2.7773 2.7773 3.7217 3.7217 3.7970 3.7970 3.8747 3.8747 3.9241 3.9241 4.4762 4.4762 4.5267 4.5267 4.5809 4.5809 4.6535 4.6535 7.2426 7.2426 7.3280 7.3280 7.4030 7.4030 7.4746 7.4746 8.3344 8.3344 8.3513 8.3513 8.4662 8.4662 k = 0.4872-0.0000 0.2018 ( 16102 PWs) bands (ev): -7.7031 -7.7031 -7.7019 -7.7019 -7.6076 -7.6076 -7.6063 -7.6063 -6.7951 -6.7951 -6.7899 -6.7899 -6.7734 -6.7734 -6.7684 -6.7684 -3.7573 -3.7573 -3.7417 -3.7417 -3.6593 -3.6593 -3.6433 -3.6433 0.1542 0.1542 0.1885 0.1885 0.2009 0.2009 0.2428 0.2428 1.2531 1.2531 1.2827 1.2827 1.3928 1.3928 1.4489 1.4489 2.2018 2.2018 2.2672 2.2672 2.3162 2.3162 2.3789 2.3789 2.5033 2.5033 2.5489 2.5489 2.7093 2.7093 2.7527 2.7527 3.7400 3.7400 3.7780 3.7780 3.8893 3.8893 3.9141 3.9141 4.4907 4.4907 4.5158 4.5158 4.5989 4.5989 4.6351 4.6351 7.2622 7.2622 7.3051 7.3051 7.4184 7.4184 7.4543 7.4543 8.3654 8.3654 8.3807 8.3807 8.4319 8.4319 k = 0.5000-0.0000 0.2018 ( 16076 PWs) bands (ev): -7.6588 -7.6588 -7.6588 -7.6588 -7.6497 -7.6497 -7.6497 -7.6497 -6.7851 -6.7851 -6.7851 -6.7851 -6.7772 -6.7772 -6.7772 -6.7772 -3.7117 -3.7117 -3.7117 -3.7117 -3.6915 -3.6915 -3.6915 -3.6915 0.1751 0.1751 0.1751 0.1751 0.2158 0.2158 0.2158 0.2158 1.2671 1.2671 1.2671 1.2671 1.4201 1.4201 1.4201 1.4201 2.2346 2.2346 2.2346 2.2346 2.3468 2.3468 2.3468 2.3468 2.5241 2.5241 2.5241 2.5241 2.7297 2.7297 2.7297 2.7297 3.7589 3.7589 3.7589 3.7589 3.9025 3.9025 3.9025 3.9025 4.5039 4.5039 4.5039 4.5039 4.6169 4.6169 4.6169 4.6169 7.2831 7.2831 7.2831 7.2831 7.4355 7.4355 7.4355 7.4355 8.3971 8.3971 8.3971 8.3971 8.4135 8.4135 k = 0.5000-0.0000 0.2018 ( 16076 PWs) bands (ev): -7.6588 -7.6588 -7.6588 -7.6588 -7.6497 -7.6497 -7.6497 -7.6497 -6.7851 -6.7851 -6.7851 -6.7851 -6.7772 -6.7772 -6.7772 -6.7772 -3.7117 -3.7117 -3.7117 -3.7117 -3.6915 -3.6915 -3.6915 -3.6915 0.1751 0.1751 0.1751 0.1751 0.2158 0.2158 0.2158 0.2158 1.2671 1.2671 1.2671 1.2671 1.4201 1.4201 1.4201 1.4201 2.2346 2.2346 2.2346 2.2346 2.3468 2.3468 2.3468 2.3468 2.5241 2.5241 2.5241 2.5241 2.7297 2.7297 2.7297 2.7297 3.7589 3.7589 3.7589 3.7589 3.9025 3.9025 3.9025 3.9025 4.5039 4.5039 4.5039 4.5039 4.6169 4.6169 4.6169 4.6169 7.2831 7.2831 7.2831 7.2831 7.4355 7.4355 7.4355 7.4355 8.3971 8.3971 8.3971 8.3971 8.4135 8.4135 k = 0.5000 0.0126 0.2018 ( 16076 PWs) bands (ev): -7.6586 -7.6586 -7.6586 -7.6586 -7.6495 -7.6495 -7.6495 -7.6495 -6.7856 -6.7856 -6.7855 -6.7855 -6.7777 -6.7777 -6.7777 -6.7777 -3.7113 -3.7113 -3.7106 -3.7106 -3.6910 -3.6910 -3.6907 -3.6907 0.1756 0.1756 0.1756 0.1756 0.2150 0.2150 0.2176 0.2176 1.2583 1.2583 1.2728 1.2728 1.4121 1.4121 1.4248 1.4248 2.2052 2.2052 2.2425 2.2425 2.3268 2.3268 2.3517 2.3517 2.5286 2.5286 2.5411 2.5411 2.7357 2.7357 2.7360 2.7360 3.7548 3.7548 3.7654 3.7654 3.8936 3.8936 3.9104 3.9104 4.4958 4.4958 4.5174 4.5174 4.6189 4.6189 4.6212 4.6212 7.2813 7.2813 7.2833 7.2833 7.4333 7.4333 7.4353 7.4353 8.3968 8.3968 8.3978 8.3978 8.4111 8.4111 k = 0.5000 0.0253 0.2018 ( 16080 PWs) bands (ev): -7.6579 -7.6579 -7.6578 -7.6578 -7.6489 -7.6489 -7.6488 -7.6488 -6.7871 -6.7871 -6.7869 -6.7869 -6.7792 -6.7792 -6.7792 -6.7792 -3.7094 -3.7094 -3.7080 -3.7080 -3.6891 -3.6891 -3.6885 -3.6885 0.1770 0.1770 0.1771 0.1771 0.2151 0.2151 0.2203 0.2203 1.2467 1.2467 1.2753 1.2753 1.4010 1.4010 1.4261 1.4261 2.1617 2.1617 2.2280 2.2280 2.2945 2.2945 2.3412 2.3412 2.5551 2.5551 2.5723 2.5723 2.7519 2.7519 2.7540 2.7540 3.7532 3.7532 3.7740 3.7740 3.8840 3.8840 3.9171 3.9171 4.4935 4.4935 4.5359 4.5359 4.6270 4.6270 4.6313 4.6313 7.2782 7.2782 7.2823 7.2823 7.4290 7.4290 7.4327 7.4327 8.3970 8.3970 8.3989 8.3989 8.4088 8.4088 k = 0.5000 0.0379 0.2018 ( 16084 PWs) bands (ev): -7.6567 -7.6567 -7.6566 -7.6566 -7.6478 -7.6478 -7.6476 -7.6476 -6.7895 -6.7895 -6.7892 -6.7892 -6.7817 -6.7817 -6.7816 -6.7816 -3.7061 -3.7061 -3.7040 -3.7040 -3.6859 -3.6859 -3.6850 -3.6850 0.1793 0.1793 0.1796 0.1796 0.2161 0.2161 0.2239 0.2239 1.2328 1.2328 1.2745 1.2745 1.3872 1.3872 1.4240 1.4240 2.1108 2.1108 2.1977 2.1977 2.2533 2.2533 2.3173 2.3173 2.5967 2.5967 2.6114 2.6114 2.7746 2.7746 2.7827 2.7827 3.7538 3.7538 3.7839 3.7839 3.8740 3.8740 3.9224 3.9224 4.4970 4.4970 4.5590 4.5590 4.6409 4.6409 4.6469 4.6469 7.2737 7.2737 7.2801 7.2801 7.4225 7.4225 7.4277 7.4277 8.3975 8.3975 8.3998 8.3998 8.4074 8.4074 k = 0.5000 0.0506 0.2018 ( 16092 PWs) bands (ev): -7.6550 -7.6550 -7.6549 -7.6549 -7.6463 -7.6463 -7.6461 -7.6461 -6.7928 -6.7928 -6.7924 -6.7924 -6.7851 -6.7851 -6.7850 -6.7850 -3.7014 -3.7014 -3.6987 -3.6987 -3.6815 -3.6815 -3.6803 -3.6803 0.1825 0.1825 0.1830 0.1830 0.2179 0.2179 0.2283 0.2283 1.2170 1.2170 1.2706 1.2706 1.3711 1.3711 1.4188 1.4188 2.0563 2.0563 2.1583 2.1583 2.2063 2.2063 2.2832 2.2832 2.6466 2.6466 2.6550 2.6550 2.8019 2.8019 2.8185 2.8185 3.7564 3.7564 3.7945 3.7945 3.8640 3.8640 3.9263 3.9263 4.5064 4.5064 4.5859 4.5859 4.6598 4.6598 4.6672 4.6672 7.2680 7.2680 7.2769 7.2769 7.4144 7.4144 7.4205 7.4205 8.3982 8.3982 8.3995 8.3995 8.4081 8.4081 k = 0.5000 0.0632 0.2018 ( 16092 PWs) bands (ev): -7.6529 -7.6529 -7.6528 -7.6528 -7.6445 -7.6445 -7.6442 -7.6442 -6.7968 -6.7968 -6.7964 -6.7964 -6.7893 -6.7893 -6.7891 -6.7891 -3.6956 -3.6956 -3.6922 -3.6922 -3.6761 -3.6761 -3.6745 -3.6745 0.1864 0.1864 0.1873 0.1873 0.2204 0.2204 0.2334 0.2334 1.2001 1.2001 1.2640 1.2640 1.3534 1.3534 1.4107 1.4107 2.0004 2.0004 2.1139 2.1139 2.1556 2.1556 2.2417 2.2417 2.7003 2.7003 2.7011 2.7011 2.8324 2.8324 2.8589 2.8589 3.7605 3.7605 3.8050 3.8050 3.8541 3.8541 3.9286 3.9286 4.5214 4.5214 4.6160 4.6160 4.6829 4.6829 4.6914 4.6914 7.2614 7.2614 7.2731 7.2731 7.4049 7.4049 7.4112 7.4112 8.3982 8.3982 8.3991 8.3991 8.4109 8.4109 k = 0.5000 0.0758 0.2018 ( 16092 PWs) bands (ev): -7.6505 -7.6505 -7.6503 -7.6503 -7.6423 -7.6423 -7.6420 -7.6420 -6.8015 -6.8015 -6.8010 -6.8010 -6.7942 -6.7942 -6.7940 -6.7940 -3.6886 -3.6886 -3.6847 -3.6847 -3.6697 -3.6697 -3.6678 -3.6678 0.1909 0.1909 0.1924 0.1924 0.2236 0.2236 0.2391 0.2391 1.1826 1.1826 1.2552 1.2552 1.3346 1.3346 1.4003 1.4003 1.9446 1.9446 2.0667 2.0667 2.1028 2.1028 2.1953 2.1953 2.7488 2.7488 2.7557 2.7557 2.8651 2.8651 2.9019 2.9019 3.7654 3.7654 3.8147 3.8147 3.8445 3.8445 3.9296 3.9296 4.5415 4.5415 4.6485 4.6485 4.7090 4.7090 4.7184 4.7184 7.2541 7.2541 7.2689 7.2689 7.3942 7.3942 7.4002 7.4002 8.3971 8.3971 8.4001 8.4001 8.4150 8.4150 k = 0.5000 0.0885 0.2018 ( 16108 PWs) bands (ev): -7.6477 -7.6477 -7.6475 -7.6475 -7.6398 -7.6398 -7.6395 -7.6395 -6.8067 -6.8067 -6.8061 -6.8061 -6.7997 -6.7997 -6.7995 -6.7995 -3.6808 -3.6808 -3.6763 -3.6763 -3.6626 -3.6626 -3.6604 -3.6604 0.1960 0.1960 0.1983 0.1983 0.2272 0.2272 0.2452 0.2452 1.1653 1.1653 1.2446 1.2446 1.3152 1.3152 1.3878 1.3878 1.8899 1.8899 2.0181 2.0181 2.0491 2.0491 2.1455 2.1455 2.7973 2.7973 2.8112 2.8112 2.8994 2.8994 2.9460 2.9460 3.7706 3.7706 3.8231 3.8231 3.8353 3.8353 3.9292 3.9292 4.5660 4.5660 4.6826 4.6826 4.7369 4.7369 4.7473 4.7473 7.2465 7.2465 7.2646 7.2646 7.3829 7.3829 7.3876 7.3876 8.3969 8.3969 8.4013 8.4013 8.4129 8.4129 k = 0.5000 0.1011 0.2018 ( 16112 PWs) bands (ev): -7.6447 -7.6447 -7.6444 -7.6444 -7.6372 -7.6372 -7.6368 -7.6368 -6.8124 -6.8124 -6.8117 -6.8117 -6.8056 -6.8056 -6.8054 -6.8054 -3.6723 -3.6723 -3.6673 -3.6673 -3.6550 -3.6550 -3.6524 -3.6524 0.2014 0.2014 0.2049 0.2049 0.2312 0.2312 0.2516 0.2516 1.1488 1.1488 1.2330 1.2330 1.2959 1.2959 1.3737 1.3737 1.8371 1.8371 1.9691 1.9691 1.9954 1.9954 2.0937 2.0937 2.8461 2.8461 2.8659 2.8659 2.9347 2.9347 2.9902 2.9902 3.7757 3.7757 3.8266 3.8266 3.8301 3.8301 3.9277 3.9277 4.5941 4.5941 4.7172 4.7172 4.7654 4.7654 4.7770 4.7770 7.2389 7.2389 7.2605 7.2605 7.3711 7.3711 7.3739 7.3739 8.3981 8.3981 8.4029 8.4029 8.4108 8.4108 k = 0.5000 0.1138 0.2018 ( 16112 PWs) bands (ev): -7.6414 -7.6414 -7.6411 -7.6411 -7.6344 -7.6344 -7.6340 -7.6340 -6.8182 -6.8182 -6.8175 -6.8175 -6.8119 -6.8119 -6.8116 -6.8116 -3.6634 -3.6634 -3.6579 -3.6579 -3.6471 -3.6471 -3.6441 -3.6441 0.2072 0.2072 0.2120 0.2120 0.2353 0.2353 0.2580 0.2580 1.1337 1.1337 1.2209 1.2209 1.2771 1.2771 1.3583 1.3583 1.7872 1.7872 1.9206 1.9206 1.9428 1.9428 2.0409 2.0409 2.8947 2.8947 2.9190 2.9190 2.9705 2.9705 3.0334 3.0334 3.7802 3.7802 3.8184 3.8184 3.8354 3.8354 3.9251 3.9251 4.6247 4.6247 4.7517 4.7517 4.7932 4.7932 4.8067 4.8067 7.2316 7.2316 7.2568 7.2568 7.3592 7.3592 7.3594 7.3594 8.4011 8.4011 8.4049 8.4049 8.4094 8.4094 k = 0.5000 0.1264 0.2018 ( 16136 PWs) bands (ev): -7.6381 -7.6381 -7.6378 -7.6378 -7.6316 -7.6316 -7.6312 -7.6312 -6.8242 -6.8242 -6.8234 -6.8234 -6.8182 -6.8182 -6.8179 -6.8179 -3.6542 -3.6542 -3.6483 -3.6483 -3.6390 -3.6390 -3.6357 -3.6357 0.2130 0.2130 0.2195 0.2195 0.2395 0.2395 0.2642 0.2642 1.1208 1.1208 1.2090 1.2090 1.2592 1.2592 1.3417 1.3417 1.7412 1.7412 1.8733 1.8733 1.8919 1.8919 1.9882 1.9882 2.9425 2.9425 2.9698 2.9698 3.0062 3.0062 3.0749 3.0749 3.7838 3.7838 3.8110 3.8110 3.8392 3.8392 3.9215 3.9215 4.6569 4.6569 4.7852 4.7852 4.8195 4.8195 4.8354 4.8354 7.2249 7.2249 7.2539 7.2539 7.3442 7.3442 7.3475 7.3475 8.4062 8.4062 8.4066 8.4066 8.4102 8.4102 k = 0.5000 0.1390 0.2018 ( 16136 PWs) bands (ev): -7.6348 -7.6348 -7.6344 -7.6344 -7.6288 -7.6288 -7.6283 -7.6283 -6.8300 -6.8300 -6.8292 -6.8292 -6.8246 -6.8246 -6.8242 -6.8242 -3.6451 -3.6451 -3.6389 -3.6389 -3.6312 -3.6312 -3.6275 -3.6275 0.2189 0.2189 0.2273 0.2273 0.2434 0.2434 0.2700 0.2700 1.1104 1.1104 1.1979 1.1979 1.2427 1.2427 1.3240 1.3240 1.6999 1.6999 1.8279 1.8279 1.8435 1.8435 1.9363 1.9363 2.9890 2.9890 3.0175 3.0175 3.0414 3.0414 3.1138 3.1138 3.7861 3.7861 3.8044 3.8044 3.8418 3.8418 3.9170 3.9170 4.6895 4.6895 4.8170 4.8170 4.8432 4.8432 4.8623 4.8623 7.2192 7.2192 7.2518 7.2518 7.3289 7.3289 7.3360 7.3360 8.4079 8.4079 8.4138 8.4138 8.4140 8.4140 k = 0.5000 0.1517 0.2018 ( 16128 PWs) bands (ev): -7.6315 -7.6315 -7.6311 -7.6311 -7.6261 -7.6261 -7.6256 -7.6256 -6.8356 -6.8356 -6.8348 -6.8348 -6.8307 -6.8307 -6.8303 -6.8303 -3.6362 -3.6362 -3.6297 -3.6297 -3.6237 -3.6237 -3.6196 -3.6196 0.2247 0.2247 0.2353 0.2353 0.2470 0.2470 0.2752 0.2752 1.1031 1.1031 1.1880 1.1880 1.2278 1.2278 1.3052 1.3052 1.6645 1.6645 1.7853 1.7853 1.7984 1.7984 1.8860 1.8860 3.0336 3.0336 3.0613 3.0613 3.0755 3.0755 3.1493 3.1493 3.7867 3.7867 3.7991 3.7991 3.8436 3.8436 3.9117 3.9117 4.7218 4.7218 4.8465 4.8465 4.8635 4.8635 4.8867 4.8867 7.2147 7.2147 7.2506 7.2506 7.3135 7.3135 7.3250 7.3250 8.4105 8.4105 8.4195 8.4195 8.4239 8.4239 k = 0.5000 0.1643 0.2018 ( 16132 PWs) bands (ev): -7.6284 -7.6284 -7.6279 -7.6279 -7.6236 -7.6236 -7.6231 -7.6231 -6.8408 -6.8408 -6.8399 -6.8399 -6.8365 -6.8365 -6.8360 -6.8360 -3.6279 -3.6279 -3.6211 -3.6211 -3.6169 -3.6169 -3.6124 -3.6124 0.2302 0.2302 0.2432 0.2432 0.2500 0.2500 0.2796 0.2796 1.0992 1.0992 1.1797 1.1797 1.2146 1.2146 1.2851 1.2851 1.6359 1.6359 1.7462 1.7462 1.7572 1.7572 1.8378 1.8378 3.0758 3.0758 3.1001 3.1001 3.1082 3.1082 3.1805 3.1805 3.7852 3.7852 3.7956 3.7956 3.8448 3.8448 3.9057 3.9057 4.7530 4.7530 4.8731 4.8731 4.8800 4.8800 4.9082 4.9082 7.2116 7.2116 7.2503 7.2503 7.2985 7.2985 7.3146 7.3146 8.4148 8.4148 8.4262 8.4262 8.4364 8.4364 k = 0.5000 0.1770 0.2018 ( 16128 PWs) bands (ev): -7.6255 -7.6255 -7.6250 -7.6250 -7.6214 -7.6214 -7.6209 -7.6209 -6.8454 -6.8454 -6.8446 -6.8446 -6.8417 -6.8417 -6.8412 -6.8412 -3.6202 -3.6202 -3.6133 -3.6133 -3.6109 -3.6109 -3.6060 -3.6060 0.2353 0.2353 0.2509 0.2509 0.2524 0.2524 0.2829 0.2829 1.0990 1.0990 1.1733 1.1733 1.2032 1.2032 1.2638 1.2638 1.6149 1.6149 1.7114 1.7114 1.7205 1.7205 1.7924 1.7924 3.1149 3.1149 3.1327 3.1327 3.1394 3.1394 3.2068 3.2068 3.7823 3.7823 3.7932 3.7932 3.8460 3.8460 3.8990 3.8990 4.7823 4.7823 4.8922 4.8922 4.8966 4.8966 4.9263 4.9263 7.2101 7.2101 7.2510 7.2510 7.2841 7.2841 7.3049 7.3049 8.4209 8.4209 8.4336 8.4336 8.4509 8.4509 k = 0.5000 0.1896 0.2018 ( 16132 PWs) bands (ev): -7.6229 -7.6229 -7.6224 -7.6224 -7.6196 -7.6196 -7.6191 -7.6191 -6.8493 -6.8493 -6.8485 -6.8485 -6.8463 -6.8463 -6.8457 -6.8457 -3.6134 -3.6134 -3.6065 -3.6065 -3.6058 -3.6058 -3.6006 -3.6006 0.2400 0.2400 0.2541 0.2541 0.2582 0.2582 0.2850 0.2850 1.1027 1.1027 1.1689 1.1689 1.1936 1.1936 1.2413 1.2413 1.6019 1.6019 1.6816 1.6816 1.6892 1.6892 1.7504 1.7504 3.1503 3.1503 3.1596 3.1596 3.1671 3.1671 3.2272 3.2272 3.7796 3.7796 3.7910 3.7910 3.8476 3.8476 3.8919 3.8919 4.8093 4.8093 4.8999 4.8999 4.9166 4.9166 4.9407 4.9407 7.2102 7.2102 7.2526 7.2526 7.2705 7.2705 7.2959 7.2959 8.4283 8.4283 8.4409 8.4409 8.4669 8.4669 k = 0.5000 0.2022 0.2018 ( 16132 PWs) bands (ev): -7.6207 -7.6207 -7.6202 -7.6202 -7.6182 -7.6182 -7.6176 -7.6176 -6.8524 -6.8524 -6.8516 -6.8516 -6.8501 -6.8501 -6.8495 -6.8495 -3.6078 -3.6078 -3.6020 -3.6020 -3.6008 -3.6008 -3.5963 -3.5963 0.2442 0.2442 0.2550 0.2550 0.2650 0.2650 0.2858 0.2858 1.1101 1.1101 1.1665 1.1665 1.1856 1.1856 1.2184 1.2184 1.5970 1.5970 1.6576 1.6576 1.6639 1.6639 1.7123 1.7123 3.1813 3.1813 3.1817 3.1817 3.1893 3.1893 3.2413 3.2413 3.7777 3.7777 3.7884 3.7884 3.8499 3.8499 3.8845 3.8845 4.8335 4.8335 4.9031 4.9031 4.9329 4.9329 4.9512 4.9512 7.2121 7.2121 7.2551 7.2551 7.2579 7.2579 7.2877 7.2877 8.4362 8.4362 8.4475 8.4475 8.4834 8.4834 k = 0.5000 0.2149 0.2018 ( 16116 PWs) bands (ev): -7.6189 -7.6189 -7.6184 -7.6184 -7.6173 -7.6173 -7.6167 -7.6167 -6.8546 -6.8546 -6.8538 -6.8538 -6.8530 -6.8530 -6.8524 -6.8524 -3.6033 -3.6033 -3.5994 -3.5994 -3.5965 -3.5965 -3.5935 -3.5935 0.2478 0.2478 0.2551 0.2551 0.2711 0.2711 0.2854 0.2854 1.1213 1.1213 1.1661 1.1661 1.1790 1.1790 1.1956 1.1956 1.5999 1.5999 1.6401 1.6401 1.6451 1.6451 1.6787 1.6787 3.1986 3.1986 3.2048 3.2048 3.2072 3.2072 3.2484 3.2484 3.7769 3.7769 3.7856 3.7856 3.8533 3.8533 3.8772 3.8772 4.8546 4.8546 4.9017 4.9017 4.9455 4.9455 4.9579 4.9579 7.2157 7.2157 7.2465 7.2465 7.2585 7.2585 7.2802 7.2802 8.4437 8.4437 8.4523 8.4523 8.4991 8.4991 k = 0.5000 0.2275 0.2018 ( 16120 PWs) bands (ev): -7.6177 -7.6177 -7.6172 -7.6172 -7.6169 -7.6169 -7.6163 -7.6163 -6.8558 -6.8558 -6.8550 -6.8550 -6.8550 -6.8550 -6.8542 -6.8542 -3.6002 -3.6002 -3.5982 -3.5982 -3.5935 -3.5935 -3.5920 -3.5920 0.2507 0.2507 0.2544 0.2544 0.2763 0.2763 0.2836 0.2836 1.1359 1.1359 1.1672 1.1672 1.1737 1.1737 1.1738 1.1738 1.6101 1.6101 1.6294 1.6294 1.6335 1.6335 1.6501 1.6501 3.2098 3.2098 3.2134 3.2134 3.2273 3.2273 3.2485 3.2485 3.7772 3.7772 3.7830 3.7830 3.8577 3.8577 3.8702 3.8702 4.8722 4.8722 4.8960 4.8960 4.9543 4.9543 4.9608 4.9608 7.2209 7.2209 7.2365 7.2365 7.2627 7.2627 7.2736 7.2736 8.4497 8.4497 8.4545 8.4545 8.5123 8.5123 k = 0.5000 0.2402 0.2018 ( 16136 PWs) bands (ev): -7.6170 -7.6170 -7.6170 -7.6170 -7.6165 -7.6165 -7.6164 -7.6164 -6.8559 -6.8559 -6.8559 -6.8559 -6.8552 -6.8552 -6.8551 -6.8551 -3.5986 -3.5986 -3.5984 -3.5984 -3.5920 -3.5920 -3.5920 -3.5920 0.2528 0.2528 0.2531 0.2531 0.2798 0.2798 0.2813 0.2813 1.1526 1.1526 1.1546 1.1546 1.1698 1.1698 1.1699 1.1699 1.6258 1.6258 1.6270 1.6270 1.6270 1.6270 1.6296 1.6296 3.2144 3.2144 3.2155 3.2155 3.2393 3.2393 3.2433 3.2433 3.7776 3.7776 3.7818 3.7818 3.8619 3.8619 3.8650 3.8650 4.8856 4.8856 4.8865 4.8865 4.9585 4.9585 4.9605 4.9605 7.2277 7.2277 7.2281 7.2281 7.2672 7.2672 7.2683 7.2683 8.4526 8.4526 8.4545 8.4545 8.5205 8.5206 k = 0.5000 0.2402 0.2018 ( 16136 PWs) bands (ev): -7.6170 -7.6170 -7.6170 -7.6170 -7.6165 -7.6165 -7.6164 -7.6164 -6.8559 -6.8559 -6.8559 -6.8559 -6.8552 -6.8552 -6.8551 -6.8551 -3.5986 -3.5986 -3.5984 -3.5984 -3.5920 -3.5920 -3.5920 -3.5920 0.2528 0.2528 0.2531 0.2531 0.2798 0.2798 0.2813 0.2813 1.1526 1.1526 1.1546 1.1546 1.1698 1.1698 1.1699 1.1699 1.6258 1.6258 1.6270 1.6270 1.6270 1.6270 1.6296 1.6296 3.2144 3.2144 3.2155 3.2155 3.2393 3.2393 3.2433 3.2433 3.7776 3.7776 3.7818 3.7818 3.8619 3.8619 3.8650 3.8650 4.8856 4.8856 4.8865 4.8865 4.9585 4.9585 4.9605 4.9605 7.2277 7.2277 7.2281 7.2281 7.2672 7.2672 7.2683 7.2683 8.4526 8.4526 8.4545 8.4545 8.5205 8.5206 k = 0.4872 0.2402 0.2018 ( 16120 PWs) bands (ev): -7.6632 -7.6632 -7.6632 -7.6632 -7.5718 -7.5718 -7.5717 -7.5717 -6.8640 -6.8640 -6.8639 -6.8639 -6.8475 -6.8475 -6.8474 -6.8474 -3.6440 -3.6440 -3.6439 -3.6439 -3.5443 -3.5443 -3.5443 -3.5443 0.2453 0.2453 0.2453 0.2453 0.2894 0.2894 0.2906 0.2906 1.1220 1.1220 1.1229 1.1229 1.2004 1.2004 1.2015 1.2015 1.6108 1.6108 1.6127 1.6127 1.6463 1.6463 1.6482 1.6482 3.2096 3.2096 3.2099 3.2099 3.2444 3.2444 3.2476 3.2476 3.7736 3.7736 3.7777 3.7777 3.8669 3.8669 3.8700 3.8700 4.8849 4.8849 4.8858 4.8858 4.9589 4.9589 4.9608 4.9608 7.2193 7.2193 7.2199 7.2199 7.2785 7.2785 7.2796 7.2796 8.4500 8.4500 8.4519 8.4519 8.5227 8.5228 k = 0.4744 0.2402 0.2018 ( 16124 PWs) bands (ev): -7.7108 -7.7108 -7.7108 -7.7108 -7.5287 -7.5287 -7.5287 -7.5287 -6.8725 -6.8725 -6.8725 -6.8725 -6.8400 -6.8400 -6.8400 -6.8400 -3.6900 -3.6900 -3.6900 -3.6900 -3.4915 -3.4915 -3.4915 -3.4915 0.2324 0.2324 0.2326 0.2326 0.3076 0.3076 0.3087 0.3087 1.0843 1.0843 1.0848 1.0848 1.2380 1.2380 1.2395 1.2395 1.5999 1.5999 1.6020 1.6020 1.6701 1.6701 1.6719 1.6719 3.1992 3.1992 3.1996 3.1996 3.2537 3.2537 3.2561 3.2561 3.7634 3.7634 3.7675 3.7675 3.8799 3.8799 3.8830 3.8830 4.8830 4.8830 4.8839 4.8839 4.9600 4.9600 4.9619 4.9619 7.2051 7.2051 7.2058 7.2058 7.3016 7.3016 7.3025 7.3025 8.4427 8.4427 8.4447 8.4447 8.5284 8.5284 k = 0.4615 0.2402 0.2018 ( 16112 PWs) bands (ev): -7.7593 -7.7593 -7.7592 -7.7592 -7.4879 -7.4879 -7.4879 -7.4879 -6.8810 -6.8810 -6.8809 -6.8809 -6.8333 -6.8333 -6.8332 -6.8332 -3.7336 -3.7336 -3.7335 -3.7335 -3.4367 -3.4367 -3.4367 -3.4367 0.2200 0.2200 0.2202 0.2202 0.3291 0.3291 0.3302 0.3302 1.0465 1.0465 1.0468 1.0468 1.2756 1.2756 1.2776 1.2776 1.5941 1.5941 1.5963 1.5963 1.6973 1.6973 1.6991 1.6991 3.1878 3.1878 3.1886 3.1886 3.2627 3.2627 3.2647 3.2647 3.7502 3.7502 3.7543 3.7543 3.8979 3.8979 3.9008 3.9008 4.8799 4.8799 4.8808 4.8808 4.9617 4.9617 4.9635 4.9635 7.1921 7.1921 7.1927 7.1927 7.3291 7.3291 7.3300 7.3300 8.4320 8.4320 8.4342 8.4342 8.5361 8.5361 k = 0.4487 0.2402 0.2018 ( 16112 PWs) bands (ev): -7.8084 -7.8084 -7.8083 -7.8083 -7.4499 -7.4499 -7.4499 -7.4499 -6.8889 -6.8889 -6.8888 -6.8888 -6.8274 -6.8274 -6.8273 -6.8273 -3.7744 -3.7744 -3.7744 -3.7744 -3.3803 -3.3803 -3.3803 -3.3803 0.2086 0.2086 0.2089 0.2089 0.3529 0.3529 0.3541 0.3541 1.0091 1.0091 1.0092 1.0092 1.3130 1.3130 1.3154 1.3154 1.5935 1.5935 1.5959 1.5959 1.7274 1.7274 1.7291 1.7291 3.1771 3.1771 3.1781 3.1781 3.2704 3.2704 3.2721 3.2721 3.7356 3.7356 3.7397 3.7397 3.9189 3.9189 3.9217 3.9217 4.8760 4.8760 4.8769 4.8769 4.9637 4.9637 4.9655 4.9655 7.1815 7.1815 7.1822 7.1822 7.3595 7.3595 7.3604 7.3604 8.4188 8.4188 8.4212 8.4212 8.5449 8.5449 k = 0.4359 0.2402 0.2018 ( 16096 PWs) bands (ev): -7.8578 -7.8578 -7.8577 -7.8577 -7.4152 -7.4152 -7.4152 -7.4152 -6.8959 -6.8959 -6.8958 -6.8958 -6.8224 -6.8224 -6.8223 -6.8223 -3.8124 -3.8124 -3.8124 -3.8124 -3.3224 -3.3224 -3.3224 -3.3224 0.1987 0.1987 0.1989 0.1989 0.3789 0.3789 0.3802 0.3802 0.9722 0.9722 0.9726 0.9726 1.3501 1.3501 1.3528 1.3528 1.5981 1.5981 1.6009 1.6009 1.7598 1.7598 1.7615 1.7615 3.1678 3.1678 3.1690 3.1690 3.2763 3.2763 3.2777 3.2777 3.7206 3.7206 3.7247 3.7247 3.9421 3.9421 3.9447 3.9447 4.8715 4.8715 4.8724 4.8724 4.9661 4.9661 4.9678 4.9678 7.1738 7.1738 7.1745 7.1745 7.3921 7.3921 7.3929 7.3929 8.4035 8.4035 8.4060 8.4060 8.5538 8.5538 k = 0.4231 0.2402 0.2018 ( 16096 PWs) bands (ev): -7.9074 -7.9074 -7.9073 -7.9073 -7.3844 -7.3844 -7.3844 -7.3844 -6.9014 -6.9014 -6.9014 -6.9014 -6.8184 -6.8184 -6.8183 -6.8183 -3.8475 -3.8475 -3.8474 -3.8474 -3.2632 -3.2632 -3.2632 -3.2632 0.1902 0.1902 0.1904 0.1904 0.4068 0.4068 0.4083 0.4083 0.9363 0.9363 0.9370 0.9370 1.3868 1.3868 1.3900 1.3900 1.6081 1.6081 1.6112 1.6112 1.7943 1.7943 1.7959 1.7959 3.1603 3.1603 3.1616 3.1616 3.2801 3.2801 3.2814 3.2814 3.7056 3.7056 3.7097 3.7097 3.9667 3.9667 3.9691 3.9691 4.8669 4.8669 4.8677 4.8677 4.9685 4.9685 4.9701 4.9701 7.1690 7.1690 7.1696 7.1696 7.4261 7.4261 7.4269 7.4269 8.3863 8.3863 8.3889 8.3889 8.5625 8.5625 k = 0.4103 0.2402 0.2018 ( 16096 PWs) bands (ev): -7.9569 -7.9569 -7.9568 -7.9568 -7.3581 -7.3581 -7.3581 -7.3581 -6.9051 -6.9051 -6.9050 -6.9050 -6.8153 -6.8153 -6.8153 -6.8153 -3.8795 -3.8795 -3.8794 -3.8794 -3.2030 -3.2030 -3.2030 -3.2030 0.1833 0.1833 0.1835 0.1835 0.4364 0.4364 0.4381 0.4381 0.9020 0.9020 0.9031 0.9031 1.4230 1.4230 1.4266 1.4266 1.6234 1.6234 1.6267 1.6267 1.8303 1.8303 1.8319 1.8319 3.1551 3.1551 3.1564 3.1564 3.2819 3.2819 3.2830 3.2830 3.6909 3.6909 3.6949 3.6949 3.9923 3.9923 3.9945 3.9945 4.8622 4.8622 4.8631 4.8631 4.9709 4.9709 4.9725 4.9725 7.1668 7.1668 7.1674 7.1674 7.4612 7.4612 7.4619 7.4619 8.3670 8.3670 8.3696 8.3696 8.5704 8.5705 k = 0.3974 0.2402 0.2018 ( 16080 PWs) bands (ev): -8.0062 -8.0062 -8.0061 -8.0061 -7.3369 -7.3369 -7.3368 -7.3368 -6.9063 -6.9063 -6.9062 -6.9062 -6.8133 -6.8133 -6.8132 -6.8132 -3.9083 -3.9083 -3.9083 -3.9083 -3.1421 -3.1421 -3.1421 -3.1421 0.1780 0.1780 0.1782 0.1782 0.4670 0.4670 0.4690 0.4690 0.8699 0.8699 0.8714 0.8714 1.4585 1.4585 1.4625 1.4625 1.6439 1.6439 1.6475 1.6475 1.8675 1.8675 1.8691 1.8691 3.1522 3.1522 3.1536 3.1536 3.2818 3.2818 3.2828 3.2828 3.6768 3.6768 3.6808 3.6808 4.0182 4.0182 4.0202 4.0202 4.8580 4.8580 4.8588 4.8588 4.9733 4.9733 4.9748 4.9748 7.1672 7.1672 7.1678 7.1678 7.4966 7.4966 7.4972 7.4972 8.3456 8.3456 8.3483 8.3483 8.5770 8.5772 k = 0.3846 0.2402 0.2018 ( 16080 PWs) bands (ev): -8.0551 -8.0551 -8.0550 -8.0550 -7.3210 -7.3210 -7.3210 -7.3210 -6.9049 -6.9049 -6.9048 -6.9048 -6.8123 -6.8123 -6.8122 -6.8122 -3.9341 -3.9341 -3.9340 -3.9340 -3.0806 -3.0806 -3.0806 -3.0806 0.1746 0.1746 0.1747 0.1747 0.4977 0.4977 0.5001 0.5001 0.8410 0.8410 0.8430 0.8430 1.4929 1.4929 1.4971 1.4971 1.6698 1.6698 1.6736 1.6736 1.9057 1.9057 1.9073 1.9073 3.1518 3.1518 3.1530 3.1530 3.2799 3.2799 3.2809 3.2809 3.6637 3.6637 3.6677 3.6677 4.0439 4.0439 4.0456 4.0456 4.8546 4.8546 4.8553 4.8553 4.9757 4.9757 4.9770 4.9770 7.1700 7.1700 7.1705 7.1705 7.5317 7.5317 7.5323 7.5323 8.3220 8.3220 8.3247 8.3247 8.5815 8.5815 k = 0.3718 0.2402 0.2018 ( 16092 PWs) bands (ev): -8.1034 -8.1034 -8.1034 -8.1034 -7.3107 -7.3107 -7.3107 -7.3107 -6.9006 -6.9006 -6.9005 -6.9005 -6.8122 -6.8122 -6.8122 -6.8122 -3.9567 -3.9567 -3.9566 -3.9566 -3.0189 -3.0189 -3.0189 -3.0189 0.1731 0.1731 0.1733 0.1733 0.5267 0.5267 0.5297 0.5297 0.8173 0.8173 0.8199 0.8199 1.5254 1.5254 1.5298 1.5298 1.7014 1.7014 1.7052 1.7052 1.9448 1.9448 1.9463 1.9463 3.1534 3.1534 3.1546 3.1546 3.2767 3.2767 3.2777 3.2777 3.6521 3.6521 3.6559 3.6559 4.0687 4.0687 4.0702 4.0702 4.8522 4.8522 4.8528 4.8528 4.9781 4.9781 4.9793 4.9793 7.1748 7.1748 7.1753 7.1753 7.5656 7.5656 7.5662 7.5662 8.2961 8.2961 8.2988 8.2988 8.5833 8.5835 k = 0.3590 0.2402 0.2018 ( 16076 PWs) bands (ev): -8.1511 -8.1511 -8.1510 -8.1510 -7.3058 -7.3058 -7.3057 -7.3057 -6.8937 -6.8937 -6.8936 -6.8936 -6.8131 -6.8131 -6.8131 -6.8131 -3.9761 -3.9761 -3.9760 -3.9760 -2.9572 -2.9572 -2.9572 -2.9572 0.1739 0.1739 0.1740 0.1740 0.5513 0.5513 0.5549 0.5549 0.8016 0.8016 0.8049 0.8049 1.5556 1.5556 1.5599 1.5599 1.7388 1.7388 1.7425 1.7425 1.9846 1.9846 1.9862 1.9862 3.1567 3.1567 3.1575 3.1575 3.2726 3.2726 3.2738 3.2738 3.6423 3.6423 3.6461 3.6461 4.0918 4.0918 4.0931 4.0931 4.8513 4.8513 4.8518 4.8518 4.9805 4.9805 4.9816 4.9816 7.1815 7.1815 7.1820 7.1820 7.5977 7.5977 7.5982 7.5982 8.2678 8.2678 8.2706 8.2706 8.5821 8.5821 k = 0.3462 0.2402 0.2018 ( 16080 PWs) bands (ev): -8.1979 -8.1979 -8.1979 -8.1979 -7.3057 -7.3057 -7.3056 -7.3056 -6.8846 -6.8846 -6.8845 -6.8845 -6.8149 -6.8149 -6.8149 -6.8149 -3.9924 -3.9924 -3.9923 -3.9923 -2.8957 -2.8957 -2.8957 -2.8957 0.1770 0.1770 0.1771 0.1771 0.5674 0.5674 0.5713 0.5713 0.7983 0.7983 0.8020 0.8020 1.5827 1.5827 1.5868 1.5868 1.7821 1.7821 1.7854 1.7854 2.0254 2.0254 2.0270 2.0270 3.1604 3.1604 3.1608 3.1608 3.2685 3.2685 3.2701 3.2701 3.6350 3.6350 3.6386 3.6386 4.1126 4.1126 4.1136 4.1136 4.8520 4.8520 4.8524 4.8524 4.9832 4.9832 4.9842 4.9842 7.1897 7.1897 7.1901 7.1901 7.6268 7.6268 7.6273 7.6273 8.2372 8.2372 8.2400 8.2400 8.5773 8.5773 k = 0.3333 0.2402 0.2018 ( 16080 PWs) bands (ev): -8.2439 -8.2439 -8.2438 -8.2438 -7.3098 -7.3098 -7.3098 -7.3098 -6.8740 -6.8740 -6.8739 -6.8739 -6.8175 -6.8175 -6.8175 -6.8175 -4.0058 -4.0058 -4.0057 -4.0057 -2.8347 -2.8347 -2.8347 -2.8347 0.1828 0.1828 0.1829 0.1829 0.5720 0.5720 0.5759 0.5759 0.8104 0.8104 0.8142 0.8142 1.6066 1.6066 1.6103 1.6103 1.8308 1.8308 1.8335 1.8335 2.0674 2.0674 2.0690 2.0690 3.1629 3.1629 3.1631 3.1631 3.2656 3.2656 3.2677 3.2677 3.6308 3.6308 3.6343 3.6343 4.1304 4.1304 4.1313 4.1313 4.8546 4.8546 4.8549 4.8549 4.9864 4.9864 4.9872 4.9872 7.1991 7.1991 7.1995 7.1995 7.6521 7.6521 7.6525 7.6525 8.2043 8.2043 8.2071 8.2071 8.5683 8.5683 k = 0.3205 0.2402 0.2018 ( 16096 PWs) bands (ev): -8.2888 -8.2888 -8.2887 -8.2887 -7.3175 -7.3175 -7.3174 -7.3174 -6.8625 -6.8625 -6.8624 -6.8624 -6.8209 -6.8209 -6.8209 -6.8209 -4.0162 -4.0162 -4.0161 -4.0161 -2.7745 -2.7745 -2.7745 -2.7745 0.1914 0.1914 0.1915 0.1915 0.5659 0.5659 0.5694 0.5694 0.8372 0.8372 0.8406 0.8406 1.6274 1.6274 1.6306 1.6306 1.8839 1.8839 1.8860 1.8860 2.1109 2.1109 2.1128 2.1128 3.1620 3.1620 3.1629 3.1629 3.2650 3.2650 3.2676 3.2676 3.6305 3.6305 3.6337 3.6337 4.1446 4.1446 4.1453 4.1453 4.8591 4.8591 4.8593 4.8593 4.9903 4.9903 4.9910 4.9910 7.2094 7.2094 7.2097 7.2097 7.6725 7.6725 7.6728 7.6728 8.1693 8.1693 8.1722 8.1722 8.5545 8.5545 k = 0.3077 0.2402 0.2018 ( 16092 PWs) bands (ev): -8.3325 -8.3325 -8.3325 -8.3325 -7.3279 -7.3279 -7.3278 -7.3278 -6.8508 -6.8508 -6.8507 -6.8507 -6.8250 -6.8250 -6.8249 -6.8249 -4.0239 -4.0239 -4.0238 -4.0238 -2.7154 -2.7154 -2.7153 -2.7153 0.2030 0.2030 0.2031 0.2031 0.5526 0.5526 0.5556 0.5556 0.8746 0.8746 0.8776 0.8776 1.6451 1.6451 1.6479 1.6479 1.9404 1.9404 1.9418 1.9418 2.1568 2.1568 2.1589 2.1589 3.1570 3.1570 3.1586 3.1586 3.2673 3.2673 3.2704 3.2704 3.6346 3.6346 3.6375 3.6375 4.1549 4.1549 4.1555 4.1555 4.8652 4.8652 4.8654 4.8654 4.9953 4.9953 4.9958 4.9958 7.2202 7.2202 7.2205 7.2205 7.6868 7.6868 7.6871 7.6871 8.1325 8.1325 8.1355 8.1355 8.5355 8.5355 k = 0.2949 0.2402 0.2018 ( 16104 PWs) bands (ev): -8.3751 -8.3751 -8.3751 -8.3751 -7.3404 -7.3404 -7.3404 -7.3404 -6.8398 -6.8398 -6.8396 -6.8396 -6.8292 -6.8292 -6.8292 -6.8292 -4.0290 -4.0290 -4.0289 -4.0289 -2.6575 -2.6575 -2.6575 -2.6575 0.2177 0.2177 0.2179 0.2179 0.5357 0.5357 0.5383 0.5383 0.9189 0.9189 0.9215 0.9215 1.6601 1.6601 1.6625 1.6625 1.9989 1.9989 1.9996 1.9996 2.2058 2.2058 2.2081 2.2081 3.1478 3.1478 3.1498 3.1498 3.2724 3.2724 3.2757 3.2757 3.6436 3.6436 3.6462 3.6462 4.1610 4.1610 4.1615 4.1615 4.8726 4.8726 4.8727 4.8727 5.0019 5.0019 5.0023 5.0023 7.2311 7.2311 7.2313 7.2313 7.6941 7.6941 7.6944 7.6944 8.0944 8.0944 8.0975 8.0975 8.5108 8.5108 k = 0.2821 0.2402 0.2018 ( 16080 PWs) bands (ev): -8.4163 -8.4163 -8.4163 -8.4163 -7.3545 -7.3545 -7.3545 -7.3545 -6.8364 -6.8364 -6.8363 -6.8363 -6.8269 -6.8269 -6.8269 -6.8269 -4.0317 -4.0317 -4.0316 -4.0316 -2.6013 -2.6013 -2.6012 -2.6012 0.2358 0.2358 0.2359 0.2359 0.5174 0.5174 0.5196 0.5196 0.9677 0.9677 0.9700 0.9700 1.6725 1.6725 1.6747 1.6747 2.0581 2.0581 2.0581 2.0581 2.2588 2.2588 2.2615 2.2615 3.1348 3.1348 3.1372 3.1372 3.2791 3.2791 3.2824 3.2824 3.6578 3.6578 3.6599 3.6599 4.1629 4.1629 4.1634 4.1634 4.8807 4.8807 4.8807 4.8807 5.0106 5.0106 5.0108 5.0108 7.2415 7.2415 7.2416 7.2416 7.6936 7.6936 7.6939 7.6939 8.0556 8.0556 8.0587 8.0587 8.4801 8.4801 k = 0.2692 0.2402 0.2018 ( 16084 PWs) bands (ev): -8.4562 -8.4562 -8.4562 -8.4562 -7.3698 -7.3698 -7.3697 -7.3697 -6.8417 -6.8417 -6.8416 -6.8416 -6.8174 -6.8174 -6.8174 -6.8174 -4.0323 -4.0323 -4.0322 -4.0322 -2.5468 -2.5468 -2.5467 -2.5467 0.2570 0.2570 0.2572 0.2572 0.4992 0.4992 0.5011 0.5011 1.0195 1.0195 1.0215 1.0215 1.6827 1.6827 1.6845 1.6845 2.1160 2.1160 2.1167 2.1167 2.3165 2.3165 2.3196 2.3196 3.1189 3.1189 3.1214 3.1214 3.2867 3.2867 3.2898 3.2898 3.6769 3.6769 3.6785 3.6785 4.1608 4.1608 4.1612 4.1612 4.8887 4.8887 4.8888 4.8888 5.0217 5.0217 5.0217 5.0217 7.2506 7.2506 7.2507 7.2507 7.6848 7.6848 7.6851 7.6851 8.0166 8.0166 8.0198 8.0198 8.4432 8.4432 k = 0.2564 0.2402 0.2018 ( 16092 PWs) bands (ev): -8.4946 -8.4946 -8.4946 -8.4946 -7.3858 -7.3858 -7.3857 -7.3857 -6.8478 -6.8478 -6.8477 -6.8477 -6.8085 -6.8085 -6.8085 -6.8085 -4.0309 -4.0309 -4.0308 -4.0308 -2.4943 -2.4943 -2.4942 -2.4942 0.2812 0.2812 0.2814 0.2814 0.4823 0.4823 0.4838 0.4838 1.0731 1.0731 1.0749 1.0749 1.6907 1.6907 1.6924 1.6924 2.1727 2.1727 2.1738 2.1738 2.3792 2.3792 2.3826 2.3826 3.1005 3.1005 3.1032 3.1032 3.2949 3.2949 3.2977 3.2977 3.7003 3.7003 3.7014 3.7014 4.1549 4.1549 4.1554 4.1554 4.8963 4.8963 4.8964 4.8964 5.0352 5.0352 5.0354 5.0354 7.2575 7.2575 7.2575 7.2575 7.6680 7.6680 7.6681 7.6681 7.9782 7.9782 7.9814 7.9814 8.4001 8.4001 k = 0.2436 0.2402 0.2018 ( 16076 PWs) bands (ev): -8.5315 -8.5315 -8.5315 -8.5315 -7.4022 -7.4022 -7.4022 -7.4022 -6.8543 -6.8543 -6.8542 -6.8542 -6.8007 -6.8007 -6.8006 -6.8006 -4.0278 -4.0278 -4.0278 -4.0278 -2.4440 -2.4440 -2.4440 -2.4440 0.3077 0.3077 0.3080 0.3080 0.4678 0.4678 0.4691 0.4691 1.1279 1.1279 1.1296 1.1296 1.6969 1.6969 1.6984 1.6984 2.2276 2.2276 2.2292 2.2292 2.4461 2.4461 2.4499 2.4499 3.0804 3.0804 3.0832 3.0832 3.3039 3.3039 3.3065 3.3065 3.7270 3.7270 3.7276 3.7276 4.1458 4.1458 4.1463 4.1463 4.9031 4.9031 4.9032 4.9032 5.0511 5.0511 5.0514 5.0514 7.2606 7.2606 7.2608 7.2608 7.6439 7.6439 7.6440 7.6440 7.9408 7.9408 7.9438 7.9438 8.3509 8.3509 k = 0.2308 0.2402 0.2018 ( 16064 PWs) bands (ev): -8.5668 -8.5668 -8.5668 -8.5668 -7.4188 -7.4188 -7.4188 -7.4188 -6.8610 -6.8610 -6.8610 -6.8610 -6.7940 -6.7940 -6.7939 -6.7939 -4.0234 -4.0234 -4.0233 -4.0233 -2.3962 -2.3962 -2.3961 -2.3961 0.3343 0.3343 0.3347 0.3347 0.4581 0.4581 0.4591 0.4591 1.1833 1.1833 1.1848 1.1848 1.7015 1.7015 1.7028 1.7028 2.2811 2.2811 2.2829 2.2829 2.5158 2.5158 2.5198 2.5198 3.0592 3.0592 3.0622 3.0622 3.3146 3.3146 3.3169 3.3169 3.7560 3.7560 3.7561 3.7561 4.1340 4.1340 4.1346 4.1346 4.9093 4.9093 4.9094 4.9094 5.0689 5.0689 5.0694 5.0694 7.2581 7.2581 7.2584 7.2584 7.6144 7.6144 7.6146 7.6146 7.9048 7.9048 7.9076 7.9076 8.2962 8.2962 k = 0.2179 0.2402 0.2018 ( 16060 PWs) bands (ev): -8.6005 -8.6005 -8.6005 -8.6005 -7.4354 -7.4354 -7.4354 -7.4354 -6.8679 -6.8679 -6.8679 -6.8679 -6.7885 -6.7885 -6.7884 -6.7884 -4.0177 -4.0177 -4.0177 -4.0177 -2.3509 -2.3509 -2.3508 -2.3508 0.3561 0.3561 0.3568 0.3568 0.4585 0.4585 0.4591 0.4591 1.2386 1.2386 1.2400 1.2400 1.7047 1.7047 1.7059 1.7059 2.3334 2.3334 2.3354 2.3354 2.5856 2.5856 2.5898 2.5898 3.0383 3.0383 3.0414 3.0414 3.3277 3.3277 3.3298 3.3298 3.7855 3.7855 3.7859 3.7859 4.1201 4.1201 4.1209 4.1209 4.9150 4.9150 4.9150 4.9150 5.0880 5.0880 5.0886 5.0886 7.2477 7.2477 7.2480 7.2480 7.5819 7.5819 7.5825 7.5825 7.8706 7.8706 7.8730 7.8730 8.2366 8.2366 k = 0.2051 0.2402 0.2018 ( 16060 PWs) bands (ev): -8.6325 -8.6325 -8.6325 -8.6325 -7.4518 -7.4518 -7.4517 -7.4517 -6.8749 -6.8749 -6.8749 -6.8749 -6.7841 -6.7841 -6.7840 -6.7840 -4.0112 -4.0112 -4.0111 -4.0111 -2.3082 -2.3082 -2.3082 -2.3082 0.3661 0.3661 0.3669 0.3669 0.4759 0.4759 0.4761 0.4761 1.2934 1.2934 1.2947 1.2947 1.7069 1.7069 1.7079 1.7079 2.3846 2.3846 2.3867 2.3867 2.6515 2.6515 2.6559 2.6559 3.0202 3.0202 3.0233 3.0233 3.3445 3.3445 3.3463 3.3463 3.8147 3.8147 3.8155 3.8155 4.1051 4.1051 4.1059 4.1059 4.9203 4.9203 4.9204 4.9204 5.1078 5.1078 5.1084 5.1084 7.2268 7.2268 7.2272 7.2272 7.5489 7.5489 7.5500 7.5500 7.8388 7.8388 7.8406 7.8406 8.1733 8.1733 k = 0.1923 0.2402 0.2018 ( 16060 PWs) bands (ev): -8.6628 -8.6628 -8.6627 -8.6627 -7.4677 -7.4677 -7.4677 -7.4677 -6.8819 -6.8819 -6.8819 -6.8819 -6.7807 -6.7807 -6.7806 -6.7806 -4.0039 -4.0039 -4.0039 -4.0039 -2.2683 -2.2683 -2.2683 -2.2683 0.3647 0.3647 0.3656 0.3656 0.5099 0.5099 0.5100 0.5100 1.3471 1.3471 1.3484 1.3484 1.7082 1.7082 1.7091 1.7091 2.4348 2.4348 2.4369 2.4369 2.7069 2.7069 2.7113 2.7113 3.0102 3.0102 3.0132 3.0132 3.3660 3.3660 3.3676 3.3676 3.8423 3.8423 3.8434 3.8434 4.0897 4.0897 4.0907 4.0907 4.9256 4.9256 4.9257 4.9257 5.1275 5.1275 5.1282 5.1282 7.1938 7.1938 7.1943 7.1943 7.5168 7.5168 7.5186 7.5186 7.8099 7.8099 7.8110 7.8110 8.1076 8.1076 k = 0.1795 0.2402 0.2018 ( 16072 PWs) bands (ev): -8.6913 -8.6913 -8.6912 -8.6912 -7.4832 -7.4832 -7.4832 -7.4832 -6.8889 -6.8889 -6.8888 -6.8888 -6.7782 -6.7782 -6.7781 -6.7781 -3.9962 -3.9962 -3.9962 -3.9962 -2.2313 -2.2313 -2.2312 -2.2312 0.3579 0.3579 0.3588 0.3588 0.5543 0.5543 0.5543 0.5543 1.3991 1.3991 1.4002 1.4002 1.7091 1.7091 1.7100 1.7100 2.4834 2.4834 2.4855 2.4855 2.7423 2.7423 2.7461 2.7461 3.0170 3.0170 3.0195 3.0195 3.3930 3.3930 3.3946 3.3946 3.8669 3.8669 3.8683 3.8683 4.0753 4.0753 4.0765 4.0765 4.9309 4.9309 4.9311 4.9311 5.1467 5.1467 5.1474 5.1474 7.1489 7.1489 7.1493 7.1493 7.4856 7.4856 7.4882 7.4882 7.7842 7.7842 7.7844 7.7844 8.0415 8.0415 k = 0.1667 0.2402 0.2018 ( 16084 PWs) bands (ev): -8.7179 -8.7179 -8.7179 -8.7179 -7.4980 -7.4980 -7.4980 -7.4980 -6.8956 -6.8956 -6.8956 -6.8956 -6.7765 -6.7765 -6.7765 -6.7765 -3.9883 -3.9883 -3.9882 -3.9882 -2.1971 -2.1971 -2.1971 -2.1971 0.3494 0.3494 0.3502 0.3502 0.6053 0.6053 0.6053 0.6053 1.4486 1.4486 1.4497 1.4497 1.7101 1.7101 1.7109 1.7109 2.5294 2.5294 2.5314 2.5314 2.7513 2.7513 2.7538 2.7538 3.0466 3.0466 3.0479 3.0479 3.4263 3.4263 3.4278 3.4278 3.8871 3.8871 3.8886 3.8886 4.0638 4.0638 4.0650 4.0650 4.9364 4.9364 4.9367 4.9367 5.1648 5.1648 5.1655 5.1655 7.0936 7.0936 7.0939 7.0939 7.4541 7.4541 7.4575 7.4575 7.7597 7.7597 7.7607 7.7607 7.9778 7.9778 k = 0.1538 0.2402 0.2018 ( 16088 PWs) bands (ev): -8.7428 -8.7428 -8.7428 -8.7428 -7.5120 -7.5120 -7.5120 -7.5120 -6.9022 -6.9022 -6.9022 -6.9022 -6.7756 -6.7756 -6.7755 -6.7755 -3.9802 -3.9802 -3.9802 -3.9802 -2.1658 -2.1658 -2.1657 -2.1657 0.3407 0.3407 0.3414 0.3414 0.6611 0.6611 0.6611 0.6611 1.4946 1.4946 1.4956 1.4956 1.7119 1.7119 1.7126 1.7126 2.5703 2.5703 2.5718 2.5718 2.7399 2.7399 2.7410 2.7410 3.0936 3.0936 3.0940 3.0940 3.4655 3.4655 3.4672 3.4672 3.9010 3.9010 3.9024 3.9024 4.0573 4.0573 4.0586 4.0586 4.9420 4.9420 4.9423 4.9423 5.1814 5.1814 5.1822 5.1822 7.0301 7.0301 7.0304 7.0304 7.4213 7.4213 7.4255 7.4255 7.7333 7.7333 7.7359 7.7359 7.9211 7.9211 k = 0.1410 0.2402 0.2018 ( 16084 PWs) bands (ev): -8.7657 -8.7657 -8.7657 -8.7657 -7.5253 -7.5253 -7.5253 -7.5253 -6.9085 -6.9085 -6.9084 -6.9084 -6.7752 -6.7752 -6.7752 -6.7752 -3.9723 -3.9723 -3.9723 -3.9723 -2.1374 -2.1374 -2.1373 -2.1373 0.3323 0.3323 0.3330 0.3330 0.7208 0.7208 0.7208 0.7208 1.5357 1.5357 1.5366 1.5366 1.7156 1.7156 1.7163 1.7163 2.5981 2.5981 2.5987 2.5987 2.7240 2.7240 2.7244 2.7244 3.1487 3.1487 3.1488 3.1488 3.5096 3.5096 3.5116 3.5116 3.9073 3.9073 3.9084 3.9084 4.0583 4.0583 4.0594 4.0594 4.9476 4.9476 4.9480 4.9480 5.1964 5.1964 5.1971 5.1971 6.9607 6.9607 6.9610 6.9610 7.3871 7.3871 7.3921 7.3921 7.6995 7.6995 7.7038 7.7038 7.8773 7.8773 k = 0.1282 0.2402 0.2018 ( 16084 PWs) bands (ev): -8.7868 -8.7868 -8.7868 -8.7868 -7.5376 -7.5376 -7.5376 -7.5376 -6.9144 -6.9144 -6.9144 -6.9144 -6.7753 -6.7753 -6.7753 -6.7753 -3.9647 -3.9647 -3.9646 -3.9646 -2.1117 -2.1117 -2.1117 -2.1117 0.3245 0.3245 0.3251 0.3251 0.7837 0.7837 0.7838 0.7838 1.5700 1.5700 1.5707 1.5707 1.7230 1.7230 1.7236 1.7236 2.5953 2.5953 2.5959 2.5959 2.7255 2.7255 2.7274 2.7274 3.2063 3.2063 3.2065 3.2065 3.5562 3.5562 3.5588 3.5588 3.9062 3.9062 3.9068 3.9068 4.0677 4.0677 4.0686 4.0686 4.9532 4.9532 4.9535 4.9535 5.2092 5.2092 5.2100 5.2100 6.8874 6.8874 6.8876 6.8876 7.3523 7.3523 7.3580 7.3580 7.6544 7.6544 7.6602 7.6602 7.8499 7.8499 k = 0.1154 0.2402 0.2018 ( 16100 PWs) bands (ev): -8.8059 -8.8059 -8.8059 -8.8059 -7.5489 -7.5489 -7.5489 -7.5489 -6.9199 -6.9199 -6.9199 -6.9199 -6.7757 -6.7757 -6.7757 -6.7757 -3.9574 -3.9574 -3.9574 -3.9574 -2.0888 -2.0888 -2.0888 -2.0888 0.3175 0.3175 0.3179 0.3179 0.8492 0.8492 0.8492 0.8492 1.5953 1.5953 1.5957 1.5957 1.7359 1.7359 1.7362 1.7362 2.5613 2.5613 2.5622 2.5622 2.7499 2.7499 2.7522 2.7522 3.2640 3.2640 3.2642 3.2642 3.6024 3.6024 3.6055 3.6055 3.8998 3.8998 3.8998 3.8998 4.0848 4.0848 4.0857 4.0857 4.9586 4.9586 4.9588 4.9588 5.2200 5.2200 5.2207 5.2207 6.8119 6.8119 6.8121 6.8121 7.3181 7.3181 7.3244 7.3244 7.6007 7.6007 7.6074 7.6074 7.8353 7.8353 k = 0.1026 0.2402 0.2018 ( 16092 PWs) bands (ev): -8.8231 -8.8231 -8.8231 -8.8231 -7.5592 -7.5592 -7.5592 -7.5592 -6.9250 -6.9250 -6.9250 -6.9250 -6.7764 -6.7764 -6.7764 -6.7764 -3.9507 -3.9507 -3.9507 -3.9507 -2.0687 -2.0687 -2.0686 -2.0686 0.3111 0.3111 0.3116 0.3116 0.9165 0.9165 0.9165 0.9165 1.6107 1.6107 1.6109 1.6109 1.7547 1.7547 1.7549 1.7549 2.5127 2.5127 2.5135 2.5135 2.7825 2.7825 2.7847 2.7847 3.3206 3.3206 3.3207 3.3207 3.6444 3.6444 3.6483 3.6483 3.8901 3.8901 3.8905 3.8905 4.1086 4.1086 4.1097 4.1097 4.9639 4.9639 4.9641 4.9641 5.2283 5.2283 5.2291 5.2291 6.7359 6.7359 6.7360 6.7360 7.2859 7.2859 7.2927 7.2927 7.5438 7.5438 7.5510 7.5510 7.8285 7.8286 k = 0.0897 0.2402 0.2018 ( 16088 PWs) bands (ev): -8.8383 -8.8383 -8.8383 -8.8383 -7.5685 -7.5685 -7.5684 -7.5684 -6.9296 -6.9296 -6.9296 -6.9296 -6.7773 -6.7773 -6.7772 -6.7772 -3.9446 -3.9446 -3.9445 -3.9445 -2.0511 -2.0511 -2.0510 -2.0510 0.3056 0.3056 0.3059 0.3059 0.9848 0.9848 0.9848 0.9848 1.6177 1.6177 1.6178 1.6178 1.7776 1.7776 1.7777 1.7777 2.4576 2.4576 2.4584 2.4584 2.8162 2.8162 2.8181 2.8181 3.3751 3.3751 3.3755 3.3755 3.6794 3.6794 3.6840 3.6840 3.8797 3.8797 3.8804 3.8804 4.1383 4.1383 4.1395 4.1395 4.9693 4.9693 4.9693 4.9693 5.2344 5.2344 5.2351 5.2351 6.6610 6.6610 6.6611 6.6611 7.2566 7.2566 7.2639 7.2639 7.4875 7.4875 7.4952 7.4952 7.8254 7.8258 k = 0.0769 0.2402 0.2018 ( 16096 PWs) bands (ev): -8.8515 -8.8515 -8.8515 -8.8515 -7.5765 -7.5765 -7.5765 -7.5765 -6.9337 -6.9337 -6.9336 -6.9336 -6.7782 -6.7782 -6.7781 -6.7781 -3.9391 -3.9391 -3.9391 -3.9391 -2.0361 -2.0361 -2.0360 -2.0360 0.3008 0.3008 0.3011 0.3011 1.0530 1.0530 1.0530 1.0530 1.6187 1.6187 1.6188 1.6188 1.8021 1.8021 1.8021 1.8021 2.3998 2.3998 2.4005 2.4005 2.8483 2.8483 2.8501 2.8501 3.4267 3.4267 3.4276 3.4276 3.7056 3.7056 3.7107 3.7107 3.8698 3.8698 3.8707 3.8707 4.1721 4.1721 4.1735 4.1735 4.9749 4.9749 4.9750 4.9750 5.2381 5.2381 5.2388 5.2388 6.5890 6.5890 6.5891 6.5891 7.2313 7.2313 7.2389 7.2389 7.4345 7.4345 7.4424 7.4424 7.8240 7.8241 k = 0.0641 0.2402 0.2018 ( 16088 PWs) bands (ev): -8.8627 -8.8627 -8.8627 -8.8627 -7.5834 -7.5834 -7.5834 -7.5834 -6.9372 -6.9372 -6.9371 -6.9371 -6.7790 -6.7790 -6.7790 -6.7790 -3.9344 -3.9344 -3.9344 -3.9344 -2.0235 -2.0235 -2.0235 -2.0235 0.2968 0.2968 0.2970 0.2970 1.1197 1.1197 1.1197 1.1197 1.6154 1.6154 1.6156 1.6156 1.8261 1.8261 1.8261 1.8261 2.3419 2.3419 2.3425 2.3425 2.8778 2.8778 2.8793 2.8793 3.4745 3.4745 3.4758 3.4758 3.7229 3.7229 3.7283 3.7283 3.8614 3.8614 3.8623 3.8623 4.2078 4.2078 4.2093 4.2093 4.9812 4.9812 4.9814 4.9814 5.2396 5.2396 5.2403 5.2403 6.5220 6.5220 6.5220 6.5220 7.2106 7.2106 7.2184 7.2184 7.3863 7.3863 7.3944 7.3944 7.8229 7.8232 k = 0.0513 0.2402 0.2018 ( 16092 PWs) bands (ev): -8.8719 -8.8719 -8.8719 -8.8719 -7.5891 -7.5891 -7.5891 -7.5891 -6.9401 -6.9401 -6.9400 -6.9400 -6.7799 -6.7799 -6.7798 -6.7798 -3.9305 -3.9305 -3.9304 -3.9304 -2.0134 -2.0134 -2.0133 -2.0133 0.2935 0.2935 0.2937 0.2937 1.1830 1.1830 1.1831 1.1831 1.6091 1.6091 1.6093 1.6093 1.8484 1.8484 1.8484 1.8484 2.2862 2.2862 2.2868 2.2868 2.9036 2.9036 2.9049 2.9049 3.5171 3.5171 3.5187 3.5187 3.7326 3.7326 3.7379 3.7379 3.8547 3.8547 3.8556 3.8556 4.2420 4.2420 4.2434 4.2434 4.9884 4.9884 4.9887 4.9887 5.2392 5.2392 5.2398 5.2398 6.4621 6.4621 6.4621 6.4621 7.1948 7.1948 7.2026 7.2026 7.3443 7.3443 7.3522 7.3522 7.8220 7.8221 k = 0.0385 0.2402 0.2018 ( 16092 PWs) bands (ev): -8.8790 -8.8790 -8.8790 -8.8790 -7.5935 -7.5935 -7.5935 -7.5935 -6.9423 -6.9423 -6.9423 -6.9423 -6.7806 -6.7806 -6.7805 -6.7805 -3.9274 -3.9274 -3.9274 -3.9274 -2.0055 -2.0055 -2.0055 -2.0055 0.2910 0.2910 0.2911 0.2911 1.2405 1.2405 1.2406 1.2406 1.6003 1.6003 1.6005 1.6005 1.8682 1.8682 1.8683 1.8683 2.2358 2.2358 2.2363 2.2363 2.9250 2.9250 2.9260 2.9260 3.5531 3.5531 3.5549 3.5549 3.7367 3.7367 3.7414 3.7414 3.8501 3.8501 3.8507 3.8507 4.2717 4.2717 4.2730 4.2730 4.9962 4.9962 4.9965 4.9965 5.2373 5.2373 5.2379 5.2379 6.4118 6.4118 6.4118 6.4118 7.1842 7.1842 7.1915 7.1915 7.3095 7.3095 7.3169 7.3169 7.8212 7.8212 k = 0.0256 0.2402 0.2018 ( 16092 PWs) bands (ev): -8.8841 -8.8841 -8.8841 -8.8841 -7.5967 -7.5967 -7.5967 -7.5967 -6.9440 -6.9440 -6.9440 -6.9440 -6.7811 -6.7811 -6.7811 -6.7811 -3.9251 -3.9251 -3.9251 -3.9251 -2.0000 -2.0000 -1.9999 -1.9999 0.2892 0.2892 0.2893 0.2893 1.2883 1.2883 1.2884 1.2884 1.5903 1.5903 1.5905 1.5905 1.8847 1.8847 1.8848 1.8848 2.1943 2.1943 2.1947 2.1947 2.9411 2.9411 2.9417 2.9417 3.5809 3.5809 3.5825 3.5825 3.7373 3.7373 3.7410 3.7410 3.8472 3.8472 3.8475 3.8475 4.2945 4.2945 4.2954 4.2954 5.0037 5.0037 5.0040 5.0040 5.2348 5.2348 5.2352 5.2352 6.3736 6.3736 6.3737 6.3737 7.1784 7.1784 7.1843 7.1843 7.2834 7.2834 7.2894 7.2894 7.8204 7.8205 k = 0.0128 0.2402 0.2018 ( 16068 PWs) bands (ev): -8.8872 -8.8872 -8.8872 -8.8872 -7.5986 -7.5986 -7.5986 -7.5986 -6.9450 -6.9450 -6.9450 -6.9450 -6.7814 -6.7814 -6.7814 -6.7814 -3.9238 -3.9238 -3.9238 -3.9238 -1.9966 -1.9966 -1.9966 -1.9966 0.2881 0.2881 0.2882 0.2882 1.3212 1.3212 1.3212 1.3212 1.5816 1.5816 1.5817 1.5817 1.8962 1.8962 1.8963 1.8963 2.1664 2.1664 2.1666 2.1666 2.9511 2.9511 2.9514 2.9514 3.5988 3.5988 3.5999 3.5999 3.7369 3.7369 3.7389 3.7389 3.8457 3.8457 3.8458 3.8458 4.3088 4.3088 4.3092 4.3092 5.0093 5.0093 5.0095 5.0095 5.2326 5.2326 5.2329 5.2329 6.3497 6.3497 6.3497 6.3497 7.1766 7.1766 7.1801 7.1801 7.2676 7.2676 7.2711 7.2711 7.8199 7.8200 k = 0.0000 0.2402 0.2018 ( 16080 PWs) bands (ev): -8.8882 -8.8882 -8.8882 -8.8882 -7.5993 -7.5993 -7.5993 -7.5993 -6.9453 -6.9453 -6.9453 -6.9453 -6.7815 -6.7815 -6.7815 -6.7815 -3.9234 -3.9234 -3.9234 -3.9234 -1.9955 -1.9955 -1.9955 -1.9955 0.2878 0.2878 0.2878 0.2878 1.3332 1.3332 1.3332 1.3332 1.5780 1.5780 1.5780 1.5780 1.9005 1.9005 1.9005 1.9005 2.1565 2.1565 2.1565 2.1565 2.9546 2.9546 2.9546 2.9546 3.6055 3.6055 3.6055 3.6055 3.7372 3.7372 3.7372 3.7372 3.8453 3.8453 3.8453 3.8453 4.3137 4.3137 4.3137 4.3137 5.0115 5.0115 5.0115 5.0115 5.2319 5.2319 5.2319 5.2319 6.3416 6.3416 6.3416 6.3416 7.1776 7.1776 7.1776 7.1776 7.2634 7.2634 7.2634 7.2634 7.8198 7.8198 k = 0.0000 0.2402 0.2018 ( 16080 PWs) bands (ev): -8.8882 -8.8882 -8.8882 -8.8882 -7.5993 -7.5993 -7.5993 -7.5993 -6.9453 -6.9453 -6.9453 -6.9453 -6.7815 -6.7815 -6.7815 -6.7815 -3.9234 -3.9234 -3.9234 -3.9234 -1.9955 -1.9955 -1.9955 -1.9955 0.2878 0.2878 0.2878 0.2878 1.3332 1.3332 1.3332 1.3332 1.5780 1.5780 1.5780 1.5780 1.9005 1.9005 1.9005 1.9005 2.1565 2.1565 2.1565 2.1565 2.9546 2.9546 2.9546 2.9546 3.6055 3.6055 3.6055 3.6055 3.7372 3.7372 3.7372 3.7372 3.8453 3.8453 3.8453 3.8453 4.3137 4.3137 4.3137 4.3137 5.0115 5.0115 5.0115 5.0115 5.2319 5.2319 5.2319 5.2319 6.3416 6.3416 6.3416 6.3416 7.1776 7.1776 7.1776 7.1776 7.2634 7.2634 7.2634 7.2634 7.8198 7.8198 k = 0.0000 0.2275 0.2018 ( 16078 PWs) bands (ev): -8.8885 -8.8885 -8.8885 -8.8885 -7.5981 -7.5981 -7.5981 -7.5981 -6.9455 -6.9455 -6.9455 -6.9455 -6.7822 -6.7822 -6.7822 -6.7822 -3.9236 -3.9236 -3.9236 -3.9236 -1.9966 -1.9966 -1.9965 -1.9965 0.2897 0.2897 0.2898 0.2898 1.3325 1.3325 1.3332 1.3332 1.5795 1.5795 1.5809 1.5809 1.8995 1.8995 1.9005 1.9005 2.1599 2.1599 2.1603 2.1603 2.9552 2.9552 2.9554 2.9554 3.5930 3.5930 3.5962 3.5962 3.7379 3.7379 3.7393 3.7393 3.8467 3.8467 3.8517 3.8517 4.3140 4.3140 4.3162 4.3162 5.0050 5.0050 5.0059 5.0059 5.2305 5.2305 5.2316 5.2316 6.3421 6.3421 6.3424 6.3424 7.1714 7.1714 7.1783 7.1783 7.2606 7.2606 7.2691 7.2691 7.8210 7.8210 k = 0.0000 0.2149 0.2018 ( 16102 PWs) bands (ev): -8.8893 -8.8893 -8.8893 -8.8893 -7.5946 -7.5946 -7.5946 -7.5946 -6.9460 -6.9460 -6.9460 -6.9460 -6.7844 -6.7844 -6.7844 -6.7844 -3.9244 -3.9244 -3.9244 -3.9244 -1.9996 -1.9996 -1.9995 -1.9995 0.2955 0.2955 0.2957 0.2957 1.3312 1.3312 1.3326 1.3326 1.5852 1.5852 1.5878 1.5878 1.8981 1.8981 1.9000 1.9000 2.1701 2.1701 2.1709 2.1709 2.9569 2.9569 2.9574 2.9574 3.5631 3.5631 3.5682 3.5682 3.7397 3.7397 3.7417 3.7417 3.8553 3.8553 3.8642 3.8642 4.3168 4.3168 4.3212 4.3212 4.9869 4.9869 4.9886 4.9886 5.2274 5.2274 5.2294 5.2294 6.3440 6.3440 6.3444 6.3444 7.1615 7.1615 7.1730 7.1730 7.2612 7.2612 7.2759 7.2759 7.8266 7.8266 k = 0.0000 0.2022 0.2018 ( 16090 PWs) bands (ev): -8.8906 -8.8906 -8.8906 -8.8906 -7.5888 -7.5888 -7.5888 -7.5888 -6.9470 -6.9470 -6.9470 -6.9470 -6.7880 -6.7880 -6.7880 -6.7880 -3.9258 -3.9258 -3.9257 -3.9257 -2.0045 -2.0045 -2.0044 -2.0044 0.3052 0.3052 0.3054 0.3054 1.3293 1.3293 1.3314 1.3314 1.5942 1.5942 1.5982 1.5982 1.8977 1.8977 1.9005 1.9005 2.1864 2.1864 2.1874 2.1874 2.9598 2.9598 2.9606 2.9606 3.5220 3.5220 3.5280 3.5280 3.7399 3.7399 3.7416 3.7416 3.8680 3.8680 3.8794 3.8794 4.3218 4.3218 4.3280 4.3280 4.9583 4.9583 4.9607 4.9607 5.2226 5.2226 5.2253 5.2253 6.3469 6.3469 6.3476 6.3476 7.1496 7.1496 7.1633 7.1633 7.2641 7.2641 7.2822 7.2822 7.8362 7.8362 k = 0.0000 0.1896 0.2018 ( 16100 PWs) bands (ev): -8.8923 -8.8923 -8.8923 -8.8923 -7.5809 -7.5809 -7.5809 -7.5809 -6.9483 -6.9483 -6.9482 -6.9482 -6.7930 -6.7930 -6.7929 -6.7929 -3.9275 -3.9275 -3.9275 -3.9275 -2.0113 -2.0113 -2.0111 -2.0111 0.3185 0.3185 0.3188 0.3188 1.3271 1.3271 1.3297 1.3297 1.6055 1.6055 1.6107 1.6107 1.9001 1.9001 1.9036 1.9036 2.2073 2.2073 2.2085 2.2085 2.9636 2.9636 2.9647 2.9647 3.4741 3.4741 3.4805 3.4805 3.7377 3.7377 3.7389 3.7389 3.8816 3.8816 3.8942 3.8942 4.3280 4.3280 4.3357 4.3357 4.9211 4.9211 4.9239 4.9239 5.2159 5.2159 5.2190 5.2190 6.3505 6.3505 6.3514 6.3514 7.1370 7.1370 7.1513 7.1513 7.2677 7.2677 7.2872 7.2872 7.8492 7.8492 k = 0.0000 0.1770 0.2018 ( 16092 PWs) bands (ev): -8.8945 -8.8945 -8.8945 -8.8945 -7.5709 -7.5709 -7.5709 -7.5709 -6.9499 -6.9499 -6.9499 -6.9499 -6.7993 -6.7993 -6.7992 -6.7992 -3.9296 -3.9296 -3.9296 -3.9296 -2.0196 -2.0196 -2.0194 -2.0194 0.3353 0.3353 0.3357 0.3357 1.3246 1.3246 1.3276 1.3276 1.6177 1.6177 1.6240 1.6240 1.9072 1.9072 1.9113 1.9113 2.2317 2.2317 2.2331 2.2331 2.9680 2.9680 2.9696 2.9696 3.4221 3.4221 3.4286 3.4286 3.7332 3.7332 3.7341 3.7341 3.8937 3.8937 3.9069 3.9069 4.3340 4.3340 4.3428 4.3428 4.8776 4.8776 4.8807 4.8807 5.2072 5.2072 5.2107 5.2107 6.3544 6.3544 6.3554 6.3554 7.1246 7.1246 7.1385 7.1385 7.2711 7.2711 7.2907 7.2907 7.8646 7.8646 k = 0.0000 0.1643 0.2018 ( 16094 PWs) bands (ev): -8.8969 -8.8969 -8.8969 -8.8969 -7.5590 -7.5590 -7.5590 -7.5590 -6.9520 -6.9520 -6.9519 -6.9519 -6.8067 -6.8067 -6.8066 -6.8066 -3.9321 -3.9321 -3.9320 -3.9320 -2.0293 -2.0293 -2.0291 -2.0291 0.3552 0.3552 0.3557 0.3557 1.3220 1.3220 1.3254 1.3254 1.6294 1.6294 1.6366 1.6366 1.9204 1.9204 1.9250 1.9250 2.2585 2.2585 2.2601 2.2601 2.9725 2.9725 2.9746 2.9746 3.3682 3.3682 3.3749 3.3749 3.7265 3.7265 3.7279 3.7279 3.9030 3.9030 3.9163 3.9163 4.3379 4.3379 4.3472 4.3472 4.8311 4.8311 4.8342 4.8342 5.1966 5.1966 5.2003 5.2003 6.3580 6.3580 6.3592 6.3592 7.1130 7.1130 7.1261 7.1261 7.2739 7.2739 7.2929 7.2929 7.8817 7.8817 k = 0.0000 0.1517 0.2018 ( 16070 PWs) bands (ev): -8.8997 -8.8997 -8.8997 -8.8997 -7.5455 -7.5455 -7.5454 -7.5454 -6.9544 -6.9544 -6.9543 -6.9543 -6.8153 -6.8153 -6.8152 -6.8152 -3.9347 -3.9347 -3.9346 -3.9346 -2.0402 -2.0402 -2.0399 -2.0399 0.3779 0.3779 0.3785 0.3785 1.3194 1.3194 1.3230 1.3230 1.6397 1.6397 1.6476 1.6476 1.9406 1.9406 1.9452 1.9452 2.2871 2.2871 2.2887 2.2887 2.9765 2.9765 2.9793 2.9793 3.3145 3.3145 3.3215 3.3215 3.7181 3.7181 3.7204 3.7204 3.9089 3.9089 3.9218 3.9218 4.3370 4.3370 4.3464 4.3464 4.7856 4.7856 4.7887 4.7887 5.1840 5.1840 5.1878 5.1878 6.3607 6.3607 6.3620 6.3620 7.1027 7.1027 7.1146 7.1146 7.2761 7.2761 7.2940 7.2940 7.8994 7.8994 k = 0.0000 0.1390 0.2018 ( 16072 PWs) bands (ev): -8.9026 -8.9026 -8.9026 -8.9026 -7.5305 -7.5305 -7.5305 -7.5305 -6.9572 -6.9572 -6.9571 -6.9571 -6.8247 -6.8247 -6.8246 -6.8246 -3.9374 -3.9374 -3.9373 -3.9373 -2.0519 -2.0519 -2.0515 -2.0515 0.4029 0.4029 0.4035 0.4035 1.3169 1.3169 1.3207 1.3207 1.6485 1.6485 1.6568 1.6568 1.9671 1.9671 1.9716 1.9716 2.3165 2.3165 2.3183 2.3183 2.9788 2.9788 2.9827 2.9827 3.2633 3.2633 3.2709 3.2709 3.7082 3.7082 3.7116 3.7116 3.9105 3.9105 3.9229 3.9229 4.3285 4.3285 4.3373 4.3373 4.7457 4.7457 4.7487 4.7487 5.1696 5.1696 5.1735 5.1735 6.3621 6.3621 6.3634 6.3634 7.0940 7.0940 7.1047 7.1047 7.2780 7.2780 7.2944 7.2944 7.9171 7.9171 k = 0.0000 0.1264 0.2018 ( 16060 PWs) bands (ev): -8.9056 -8.9056 -8.9056 -8.9056 -7.5143 -7.5143 -7.5143 -7.5143 -6.9604 -6.9604 -6.9604 -6.9604 -6.8348 -6.8348 -6.8346 -6.8346 -3.9401 -3.9401 -3.9401 -3.9401 -2.0641 -2.0641 -2.0637 -2.0637 0.4296 0.4296 0.4303 0.4303 1.3147 1.3147 1.3185 1.3185 1.6562 1.6562 1.6646 1.6646 1.9984 1.9984 2.0027 2.0027 2.3463 2.3463 2.3483 2.3483 2.9782 2.9782 2.9833 2.9833 3.2175 3.2175 3.2258 3.2258 3.6970 3.6970 3.7016 3.7016 3.9071 3.9071 3.9187 3.9187 4.3101 4.3101 4.3178 4.3178 4.7160 4.7160 4.7189 4.7189 5.1535 5.1535 5.1573 5.1573 6.3617 6.3617 6.3631 6.3631 7.0872 7.0872 7.0966 7.0966 7.2799 7.2799 7.2947 7.2947 7.9341 7.9342 k = 0.0000 0.1138 0.2018 ( 16050 PWs) bands (ev): -8.9086 -8.9086 -8.9086 -8.9086 -7.4974 -7.4974 -7.4973 -7.4973 -6.9642 -6.9642 -6.9641 -6.9641 -6.8452 -6.8452 -6.8451 -6.8451 -3.9428 -3.9428 -3.9427 -3.9427 -2.0765 -2.0765 -2.0761 -2.0761 0.4573 0.4573 0.4581 0.4581 1.3127 1.3127 1.3166 1.3166 1.6634 1.6634 1.6719 1.6719 2.0320 2.0320 2.0362 2.0362 2.3760 2.3760 2.3783 2.3783 2.9731 2.9731 2.9797 2.9797 3.1802 3.1802 3.1894 3.1894 3.6844 3.6844 3.6904 3.6904 3.8976 3.8976 3.9084 3.9084 4.2823 4.2823 4.2884 4.2884 4.6985 4.6985 4.7017 4.7017 5.1356 5.1356 5.1394 5.1394 6.3595 6.3595 6.3609 6.3609 7.0823 7.0823 7.0905 7.0905 7.2818 7.2818 7.2950 7.2950 7.9502 7.9502 k = 0.0000 0.1011 0.2018 ( 16040 PWs) bands (ev): -8.9116 -8.9116 -8.9116 -8.9116 -7.4799 -7.4799 -7.4798 -7.4798 -6.9684 -6.9684 -6.9683 -6.9683 -6.8557 -6.8557 -6.8556 -6.8556 -3.9454 -3.9454 -3.9453 -3.9453 -2.0887 -2.0887 -2.0883 -2.0883 0.4852 0.4852 0.4861 0.4861 1.3111 1.3111 1.3150 1.3150 1.6712 1.6712 1.6796 1.6796 2.0651 2.0651 2.0694 2.0694 2.4052 2.4052 2.4080 2.4080 2.9634 2.9634 2.9711 2.9711 3.1540 3.1540 3.1640 3.1640 3.6702 3.6702 3.6778 3.6778 3.8807 3.8807 3.8908 3.8908 4.2486 4.2486 4.2530 4.2530 4.6927 4.6927 4.6963 4.6963 5.1162 5.1162 5.1200 5.1200 6.3554 6.3554 6.3569 6.3569 7.0792 7.0792 7.0863 7.0863 7.2840 7.2840 7.2956 7.2956 7.9650 7.9650 k = 0.0000 0.0885 0.2018 ( 16032 PWs) bands (ev): -8.9144 -8.9144 -8.9144 -8.9144 -7.4624 -7.4624 -7.4623 -7.4623 -6.9732 -6.9732 -6.9731 -6.9731 -6.8659 -6.8659 -6.8657 -6.8657 -3.9477 -3.9477 -3.9476 -3.9476 -2.1005 -2.1005 -2.1001 -2.1001 0.5125 0.5125 0.5135 0.5135 1.3099 1.3099 1.3137 1.3137 1.6799 1.6799 1.6882 1.6882 2.0947 2.0947 2.0992 2.0992 2.4338 2.4338 2.4371 2.4371 2.9511 2.9511 2.9593 2.9593 3.1392 3.1392 3.1494 3.1494 3.6535 3.6535 3.6631 3.6631 3.8556 3.8556 3.8653 3.8653 4.2145 4.2145 4.2172 4.2172 4.6963 4.6963 4.7001 4.7001 5.0956 5.0956 5.0993 5.0993 6.3499 6.3499 6.3514 6.3514 7.0777 7.0777 7.0838 7.0838 7.2865 7.2865 7.2965 7.2965 7.9783 7.9783 k = 0.0000 0.0758 0.2018 ( 16032 PWs) bands (ev): -8.9170 -8.9170 -8.9170 -8.9170 -7.4452 -7.4452 -7.4452 -7.4452 -6.9786 -6.9786 -6.9785 -6.9785 -6.8753 -6.8753 -6.8751 -6.8751 -3.9498 -3.9498 -3.9497 -3.9497 -2.1114 -2.1114 -2.1110 -2.1110 0.5384 0.5384 0.5394 0.5394 1.3091 1.3091 1.3128 1.3128 1.6901 1.6901 1.6983 1.6983 2.1180 2.1180 2.1228 2.1228 2.4611 2.4611 2.4651 2.4651 2.9410 2.9410 2.9490 2.9490 3.1331 3.1331 3.1431 3.1431 3.6334 3.6334 3.6451 3.6451 3.8232 3.8232 3.8330 3.8330 4.1847 4.1847 4.1862 4.1862 4.7063 4.7063 4.7103 4.7103 5.0739 5.0739 5.0776 5.0776 6.3434 6.3434 6.3449 6.3449 7.0775 7.0775 7.0828 7.0828 7.2892 7.2892 7.2977 7.2977 7.9900 7.9900 k = 0.0000 0.0632 0.2018 ( 16026 PWs) bands (ev): -8.9193 -8.9193 -8.9193 -8.9193 -7.4291 -7.4291 -7.4291 -7.4291 -6.9843 -6.9843 -6.9842 -6.9842 -6.8836 -6.8836 -6.8835 -6.8835 -3.9517 -3.9517 -3.9515 -3.9515 -2.1212 -2.1212 -2.1208 -2.1208 0.5620 0.5620 0.5630 0.5630 1.3087 1.3087 1.3121 1.3121 1.7017 1.7017 1.7098 1.7098 2.1332 2.1332 2.1383 2.1383 2.4865 2.4865 2.4911 2.4911 2.9375 2.9375 2.9449 2.9449 3.1325 3.1325 3.1421 3.1421 3.6077 3.6077 3.6216 3.6216 3.7878 3.7878 3.7980 3.7980 4.1611 4.1611 4.1623 4.1623 4.7205 4.7205 4.7245 4.7245 5.0518 5.0518 5.0555 5.0555 6.3365 6.3365 6.3380 6.3380 7.0781 7.0781 7.0827 7.0827 7.2920 7.2920 7.2991 7.2991 8.0001 8.0001 k = 0.0000 0.0506 0.2018 ( 16030 PWs) bands (ev): -8.9213 -8.9213 -8.9212 -8.9212 -7.4146 -7.4146 -7.4145 -7.4145 -6.9901 -6.9901 -6.9900 -6.9900 -6.8906 -6.8906 -6.8904 -6.8904 -3.9532 -3.9532 -3.9530 -3.9530 -2.1297 -2.1297 -2.1292 -2.1292 0.5824 0.5824 0.5835 0.5835 1.3086 1.3086 1.3118 1.3118 1.7141 1.7141 1.7221 1.7221 2.1403 2.1403 2.1452 2.1452 2.5090 2.5090 2.5139 2.5139 2.9430 2.9430 2.9498 2.9498 3.1348 3.1348 3.1441 3.1441 3.5751 3.5751 3.5902 3.5902 3.7559 3.7559 3.7657 3.7657 4.1440 4.1440 4.1454 4.1454 4.7369 4.7369 4.7407 4.7407 5.0298 5.0298 5.0336 5.0336 6.3299 6.3299 6.3313 6.3313 7.0792 7.0792 7.0832 7.0832 7.2947 7.2947 7.3006 7.3006 8.0084 8.0084 k = 0.0000 0.0379 0.2018 ( 16026 PWs) bands (ev): -8.9228 -8.9228 -8.9228 -8.9228 -7.4022 -7.4022 -7.4022 -7.4022 -6.9956 -6.9956 -6.9955 -6.9955 -6.8960 -6.8960 -6.8959 -6.8959 -3.9544 -3.9544 -3.9542 -3.9542 -2.1365 -2.1365 -2.1360 -2.1360 0.5991 0.5991 0.6002 0.6002 1.3086 1.3086 1.3116 1.3116 1.7266 1.7266 1.7344 1.7344 2.1408 2.1408 2.1451 2.1451 2.5273 2.5273 2.5323 2.5323 2.9567 2.9567 2.9630 2.9630 3.1387 3.1387 3.1475 3.1475 3.5368 3.5368 3.5519 3.5519 3.7324 3.7324 3.7405 3.7405 4.1324 4.1324 4.1340 4.1340 4.7537 4.7537 4.7572 4.7572 5.0093 5.0093 5.0131 5.0131 6.3240 6.3240 6.3255 6.3255 7.0804 7.0804 7.0840 7.0840 7.2971 7.2971 7.3019 7.3019 8.0150 8.0150 k = 0.0000 0.0253 0.2018 ( 16024 PWs) bands (ev): -8.9240 -8.9240 -8.9240 -8.9240 -7.3928 -7.3928 -7.3928 -7.3928 -7.0001 -7.0001 -7.0000 -7.0000 -6.8998 -6.8998 -6.8997 -6.8997 -3.9552 -3.9552 -3.9551 -3.9551 -2.1415 -2.1415 -2.1410 -2.1410 0.6114 0.6114 0.6125 0.6125 1.3088 1.3088 1.3115 1.3115 1.7374 1.7374 1.7452 1.7452 2.1375 2.1375 2.1410 2.1410 2.5407 2.5407 2.5456 2.5456 2.9748 2.9748 2.9804 2.9804 3.1430 3.1430 3.1514 3.1514 3.4985 3.4985 3.5131 3.5131 3.7177 3.7177 3.7234 3.7234 4.1251 4.1251 4.1267 4.1267 4.7688 4.7688 4.7719 4.7719 4.9917 4.9917 4.9957 4.9957 6.3195 6.3195 6.3209 6.3209 7.0815 7.0815 7.0848 7.0848 7.2990 7.2990 7.3029 7.3029 8.0197 8.0197 k = 0.0000 0.0126 0.2018 ( 16024 PWs) bands (ev): -8.9247 -8.9247 -8.9247 -8.9247 -7.3869 -7.3869 -7.3869 -7.3869 -7.0031 -7.0031 -7.0030 -7.0030 -6.9021 -6.9021 -6.9020 -6.9020 -3.9557 -3.9557 -3.9556 -3.9556 -2.1446 -2.1446 -2.1441 -2.1441 0.6189 0.6189 0.6201 0.6201 1.3089 1.3089 1.3115 1.3115 1.7450 1.7450 1.7527 1.7527 2.1339 2.1339 2.1365 2.1365 2.5488 2.5488 2.5535 2.5535 2.9904 2.9904 2.9952 2.9952 3.1469 3.1469 3.1546 3.1546 3.4692 3.4692 3.4833 3.4833 3.7102 3.7102 3.7135 3.7135 4.1212 4.1212 4.1227 4.1227 4.7797 4.7797 4.7824 4.7824 4.9794 4.9794 4.9835 4.9835 6.3166 6.3166 6.3180 6.3180 7.0822 7.0822 7.0853 7.0853 7.3003 7.3003 7.3036 7.3036 8.0226 8.0226 k = 0.0000 0.0000 0.2018 ( 16024 PWs) bands (ev): -8.9249 -8.9249 -8.9249 -8.9249 -7.3849 -7.3849 -7.3848 -7.3848 -7.0042 -7.0042 -7.0041 -7.0041 -6.9029 -6.9029 -6.9028 -6.9028 -3.9559 -3.9559 -3.9558 -3.9558 -2.1456 -2.1456 -2.1451 -2.1451 0.6215 0.6215 0.6227 0.6227 1.3089 1.3089 1.3115 1.3115 1.7477 1.7477 1.7554 1.7554 2.1324 2.1324 2.1346 2.1346 2.5515 2.5515 2.5561 2.5561 2.9967 2.9967 3.0010 3.0010 3.1486 3.1486 3.1559 3.1559 3.4581 3.4581 3.4721 3.4721 3.7080 3.7080 3.7101 3.7101 4.1199 4.1199 4.1215 4.1215 4.7837 4.7837 4.7863 4.7863 4.9749 4.9749 4.9791 4.9791 6.3156 6.3156 6.3170 6.3170 7.0825 7.0825 7.0855 7.0855 7.3008 7.3008 7.3038 7.3038 8.0235 8.0235 k = 0.0000 0.2402-0.0000 ( 16066 PWs) bands (ev): -8.8990 -8.8990 -8.8990 -8.8990 -7.3984 -7.3984 -7.3983 -7.3983 -7.2527 -7.2527 -7.2527 -7.2527 -6.6861 -6.6861 -6.6860 -6.6860 -3.8601 -3.8601 -3.8600 -3.8600 -2.0260 -2.0260 -2.0258 -2.0258 0.1916 0.1916 0.1916 0.1916 1.2702 1.2702 1.2717 1.2717 1.4863 1.4863 1.4874 1.4874 1.9698 1.9698 1.9699 1.9699 2.7935 2.7935 2.7951 2.7951 3.0023 3.0023 3.0115 3.0115 3.0866 3.0866 3.0973 3.0973 3.7965 3.7965 3.8014 3.8014 3.8182 3.8182 3.8302 3.8302 4.1263 4.1263 4.1413 4.1413 4.9480 4.9480 4.9491 4.9491 5.1182 5.1182 5.1215 5.1215 6.7381 6.7381 6.7400 6.7400 7.1386 7.1386 7.1407 7.1407 7.4370 7.4370 7.4463 7.4463 7.8711 7.8711 k = 0.0000 0.2402 0.0126 ( 16062 PWs) bands (ev): -8.8989 -8.8989 -8.8989 -8.8989 -7.4033 -7.4033 -7.4033 -7.4033 -7.2471 -7.2471 -7.2471 -7.2471 -6.6866 -6.6866 -6.6865 -6.6865 -3.8607 -3.8607 -3.8606 -3.8606 -2.0257 -2.0257 -2.0255 -2.0255 0.1924 0.1924 0.1925 0.1925 1.2709 1.2709 1.2724 1.2724 1.4871 1.4871 1.4885 1.4885 1.9676 1.9676 1.9681 1.9681 2.7812 2.7812 2.7850 2.7850 3.0040 3.0040 3.0160 3.0160 3.0928 3.0928 3.1042 3.1042 3.7947 3.7947 3.7999 3.7999 3.8201 3.8201 3.8325 3.8325 4.1287 4.1287 4.1436 4.1436 4.9469 4.9469 4.9480 4.9480 5.1201 5.1201 5.1233 5.1233 6.7339 6.7339 6.7361 6.7361 7.1398 7.1398 7.1421 7.1421 7.4345 7.4345 7.4443 7.4443 7.8705 7.8705 k = 0.0000 0.2402 0.0252 ( 16072 PWs) bands (ev): -8.8986 -8.8986 -8.8986 -8.8986 -7.4162 -7.4162 -7.4162 -7.4162 -7.2323 -7.2323 -7.2323 -7.2323 -6.6882 -6.6882 -6.6881 -6.6881 -3.8625 -3.8625 -3.8624 -3.8624 -2.0248 -2.0248 -2.0246 -2.0246 0.1949 0.1949 0.1949 0.1949 1.2728 1.2728 1.2746 1.2746 1.4896 1.4896 1.4917 1.4917 1.9614 1.9614 1.9624 1.9624 2.7509 2.7509 2.7566 2.7566 3.0079 3.0079 3.0219 3.0219 3.1129 3.1129 3.1243 3.1243 3.7908 3.7908 3.7960 3.7960 3.8251 3.8251 3.8379 3.8379 4.1358 4.1358 4.1503 4.1503 4.9441 4.9441 4.9453 4.9453 5.1255 5.1255 5.1285 5.1285 6.7217 6.7217 6.7247 6.7247 7.1430 7.1430 7.1462 7.1462 7.4273 7.4273 7.4385 7.4385 7.8688 7.8688 k = 0.0000 0.2402 0.0378 ( 16076 PWs) bands (ev): -8.8981 -8.8981 -8.8981 -8.8981 -7.4337 -7.4337 -7.4336 -7.4336 -7.2118 -7.2118 -7.2117 -7.2117 -6.6908 -6.6908 -6.6907 -6.6907 -3.8655 -3.8655 -3.8654 -3.8654 -2.0233 -2.0233 -2.0231 -2.0231 0.1989 0.1989 0.1990 0.1990 1.2760 1.2760 1.2780 1.2780 1.4939 1.4939 1.4967 1.4967 1.9518 1.9518 1.9532 1.9532 2.7101 2.7101 2.7167 2.7167 3.0100 3.0100 3.0231 3.0231 3.1454 3.1454 3.1551 3.1551 3.7865 3.7865 3.7913 3.7913 3.8315 3.8315 3.8447 3.8447 4.1471 4.1471 4.1609 4.1609 4.9403 4.9403 4.9417 4.9417 5.1336 5.1336 5.1364 5.1364 6.7024 6.7024 6.7062 6.7062 7.1479 7.1479 7.1522 7.1522 7.4159 7.4159 7.4290 7.4290 7.8661 7.8661 k = 0.0000 0.2402 0.0505 ( 16078 PWs) bands (ev): -8.8974 -8.8974 -8.8974 -8.8974 -7.4531 -7.4531 -7.4530 -7.4530 -7.1879 -7.1879 -7.1879 -7.1879 -6.6945 -6.6945 -6.6944 -6.6944 -3.8694 -3.8694 -3.8694 -3.8694 -2.0213 -2.0213 -2.0212 -2.0212 0.2044 0.2044 0.2045 0.2045 1.2802 1.2802 1.2824 1.2824 1.5000 1.5000 1.5036 1.5036 1.9392 1.9392 1.9411 1.9411 2.6634 2.6634 2.6703 2.6703 3.0091 3.0091 3.0205 3.0205 3.1850 3.1850 3.1929 3.1929 3.7823 3.7823 3.7868 3.7868 3.8384 3.8384 3.8516 3.8516 4.1618 4.1618 4.1748 4.1748 4.9365 4.9365 4.9382 4.9382 5.1437 5.1437 5.1462 5.1462 6.6770 6.6770 6.6817 6.6817 7.1539 7.1539 7.1595 7.1595 7.4010 7.4010 7.4162 7.4162 7.8625 7.8625 k = 0.0000 0.2402 0.0631 ( 16054 PWs) bands (ev): -8.8966 -8.8966 -8.8966 -8.8966 -7.4730 -7.4730 -7.4730 -7.4730 -7.1624 -7.1624 -7.1624 -7.1624 -6.6993 -6.6993 -6.6992 -6.6992 -3.8743 -3.8743 -3.8742 -3.8742 -2.0190 -2.0190 -2.0188 -2.0188 0.2112 0.2112 0.2113 0.2113 1.2852 1.2852 1.2877 1.2877 1.5079 1.5079 1.5122 1.5122 1.9245 1.9245 1.9269 1.9269 2.6134 2.6134 2.6204 2.6204 3.0057 3.0057 3.0155 3.0155 3.2280 3.2280 3.2346 3.2346 3.7783 3.7783 3.7827 3.7827 3.8452 3.8452 3.8581 3.8581 4.1791 4.1791 4.1910 4.1910 4.9337 4.9337 4.9357 4.9357 5.1549 5.1549 5.1572 5.1572 6.6467 6.6467 6.6521 6.6521 7.1602 7.1602 7.1672 7.1672 7.3835 7.3835 7.4006 7.4006 7.8582 7.8582 k = 0.0000 0.2402 0.0757 ( 16052 PWs) bands (ev): -8.8957 -8.8957 -8.8957 -8.8957 -7.4926 -7.4926 -7.4925 -7.4925 -7.1362 -7.1362 -7.1361 -7.1361 -6.7051 -6.7051 -6.7049 -6.7049 -3.8798 -3.8798 -3.8797 -3.8797 -2.0163 -2.0163 -2.0161 -2.0161 0.2191 0.2191 0.2192 0.2192 1.2908 1.2908 1.2935 1.2935 1.5172 1.5172 1.5222 1.5222 1.9088 1.9088 1.9116 1.9116 2.5616 2.5616 2.5685 2.5685 3.0007 3.0007 3.0092 3.0092 3.2725 3.2725 3.2781 3.2781 3.7744 3.7744 3.7792 3.7792 3.8512 3.8512 3.8638 3.8638 4.1979 4.1979 4.2086 4.2086 4.9328 4.9328 4.9351 4.9351 5.1665 5.1665 5.1686 5.1686 6.6128 6.6128 6.6186 6.6186 7.1663 7.1663 7.1749 7.1749 7.3642 7.3642 7.3832 7.3832 7.8534 7.8534 k = 0.0000 0.2402 0.0883 ( 16082 PWs) bands (ev): -8.8947 -8.8947 -8.8947 -8.8947 -7.5112 -7.5112 -7.5112 -7.5112 -7.1097 -7.1097 -7.1096 -7.1096 -6.7118 -6.7118 -6.7117 -6.7117 -3.8858 -3.8858 -3.8857 -3.8857 -2.0134 -2.0134 -2.0132 -2.0132 0.2278 0.2278 0.2280 0.2280 1.2968 1.2968 1.2996 1.2996 1.5278 1.5278 1.5333 1.5333 1.8932 1.8932 1.8964 1.8964 2.5089 2.5089 2.5157 2.5157 2.9947 2.9947 3.0020 3.0020 3.3171 3.3171 3.3221 3.3221 3.7708 3.7708 3.7761 3.7761 3.8561 3.8561 3.8683 3.8683 4.2172 4.2172 4.2266 4.2266 4.9344 4.9344 4.9369 4.9369 5.1780 5.1780 5.1800 5.1800 6.5764 6.5764 6.5825 6.5825 7.1718 7.1718 7.1820 7.1820 7.3442 7.3442 7.3647 7.3647 7.8483 7.8483 k = 0.0000 0.2402 0.1009 ( 16074 PWs) bands (ev): -8.8937 -8.8937 -8.8937 -8.8937 -7.5286 -7.5286 -7.5286 -7.5286 -7.0836 -7.0836 -7.0835 -7.0835 -6.7195 -6.7195 -6.7194 -6.7194 -3.8920 -3.8920 -3.8919 -3.8919 -2.0104 -2.0104 -2.0102 -2.0102 0.2370 0.2370 0.2372 0.2372 1.3028 1.3028 1.3057 1.3057 1.5389 1.5389 1.5448 1.5448 1.8791 1.8791 1.8825 1.8825 2.4561 2.4561 2.4628 2.4628 2.9881 2.9881 2.9944 2.9944 3.3614 3.3614 3.3659 3.3659 3.7672 3.7672 3.7732 3.7732 3.8594 3.8594 3.8713 3.8713 4.2360 4.2360 4.2442 4.2442 4.9388 4.9388 4.9417 4.9417 5.1890 5.1890 5.1908 5.1908 6.5387 6.5387 6.5448 6.5448 7.1762 7.1762 7.1879 7.1879 7.3244 7.3244 7.3461 7.3461 7.8432 7.8432 k = 0.0000 0.2402 0.1135 ( 16064 PWs) bands (ev): -8.8926 -8.8926 -8.8926 -8.8926 -7.5445 -7.5445 -7.5444 -7.5444 -7.0581 -7.0581 -7.0580 -7.0580 -6.7281 -6.7281 -6.7279 -6.7279 -3.8981 -3.8981 -3.8980 -3.8980 -2.0074 -2.0074 -2.0073 -2.0073 0.2465 0.2465 0.2467 0.2467 1.3087 1.3087 1.3116 1.3116 1.5498 1.5498 1.5558 1.5558 1.8679 1.8679 1.8716 1.8716 2.4039 2.4039 2.4104 2.4104 2.9814 2.9814 2.9867 2.9867 3.4045 3.4045 3.4088 3.4088 3.7637 3.7637 3.7704 3.7704 3.8608 3.8608 3.8723 3.8723 4.2535 4.2535 4.2605 4.2605 4.9461 4.9461 4.9492 4.9492 5.1991 5.1991 5.2006 5.2006 6.5009 6.5009 6.5069 6.5069 7.1793 7.1793 7.1924 7.1924 7.3059 7.3059 7.3283 7.3283 7.8381 7.8382 k = 0.0000 0.2402 0.1261 ( 16066 PWs) bands (ev): -8.8916 -8.8916 -8.8916 -8.8916 -7.5585 -7.5585 -7.5585 -7.5585 -7.0337 -7.0337 -7.0336 -7.0336 -6.7373 -6.7373 -6.7372 -6.7372 -3.9040 -3.9040 -3.9040 -3.9040 -2.0046 -2.0046 -2.0045 -2.0045 0.2558 0.2558 0.2559 0.2559 1.3142 1.3142 1.3170 1.3170 1.5595 1.5595 1.5654 1.5654 1.8612 1.8612 1.8650 1.8650 2.3531 2.3531 2.3593 2.3593 2.9749 2.9749 2.9794 2.9794 3.4460 3.4460 3.4501 3.4501 3.7600 3.7600 3.7674 3.7674 3.8602 3.8602 3.8714 3.8714 4.2691 4.2691 4.2750 4.2750 4.9560 4.9560 4.9591 4.9591 5.2079 5.2079 5.2094 5.2094 6.4643 6.4643 6.4700 6.4700 7.1809 7.1809 7.1948 7.1948 7.2898 7.2898 7.3120 7.3120 7.8335 7.8335 k = 0.0000 0.2402 0.1387 ( 16080 PWs) bands (ev): -8.8907 -8.8907 -8.8907 -8.8907 -7.5707 -7.5707 -7.5707 -7.5707 -7.0109 -7.0109 -7.0108 -7.0108 -6.7470 -6.7470 -6.7469 -6.7469 -3.9095 -3.9095 -3.9094 -3.9094 -2.0021 -2.0021 -2.0020 -2.0020 0.2645 0.2645 0.2646 0.2646 1.3193 1.3193 1.3218 1.3218 1.5672 1.5672 1.5727 1.5727 1.8600 1.8600 1.8637 1.8637 2.3044 2.3044 2.3102 2.3102 2.9690 2.9690 2.9727 2.9727 3.4852 3.4852 3.4891 3.4891 3.7559 3.7559 3.7639 3.7639 3.8578 3.8578 3.8684 3.8684 4.2824 4.2824 4.2873 4.2873 4.9678 4.9678 4.9708 4.9708 5.2154 5.2154 5.2167 5.2167 6.4303 6.4303 6.4354 6.4354 7.1811 7.1811 7.1949 7.1949 7.2770 7.2770 7.2980 7.2980 7.8293 7.8293 k = 0.0000 0.2402 0.1514 ( 16102 PWs) bands (ev): -8.8898 -8.8898 -8.8898 -8.8898 -7.5809 -7.5809 -7.5808 -7.5808 -6.9901 -6.9901 -6.9900 -6.9900 -6.7568 -6.7568 -6.7567 -6.7567 -3.9142 -3.9142 -3.9142 -3.9142 -1.9998 -1.9998 -1.9997 -1.9997 0.2723 0.2723 0.2724 0.2724 1.3238 1.3238 1.3260 1.3260 1.5725 1.5725 1.5771 1.5771 1.8645 1.8645 1.8680 1.8680 2.2590 2.2590 2.2644 2.2644 2.9638 2.9638 2.9667 2.9667 3.5213 3.5213 3.5251 3.5251 3.7513 3.7513 3.7595 3.7595 3.8541 3.8541 3.8639 3.8639 4.2934 4.2934 4.2973 4.2973 4.9802 4.9802 4.9830 4.9830 5.2215 5.2215 5.2226 5.2226 6.4001 6.4001 6.4045 6.4045 7.1802 7.1802 7.1925 7.1925 7.2683 7.2683 7.2866 7.2866 7.8257 7.8258 k = 0.0000 0.2402 0.1640 ( 16106 PWs) bands (ev): -8.8892 -8.8892 -8.8892 -8.8892 -7.5889 -7.5889 -7.5888 -7.5888 -6.9721 -6.9721 -6.9721 -6.9721 -6.7661 -6.7661 -6.7660 -6.7660 -3.9181 -3.9181 -3.9181 -3.9181 -1.9980 -1.9980 -1.9979 -1.9979 0.2788 0.2788 0.2789 0.2789 1.3275 1.3275 1.3293 1.3293 1.5755 1.5755 1.5791 1.5791 1.8739 1.8739 1.8769 1.8769 2.2186 2.2186 2.2232 2.2232 2.9596 2.9596 2.9618 2.9618 3.5534 3.5534 3.5569 3.5569 3.7462 3.7462 3.7540 3.7540 3.8500 3.8500 3.8584 3.8584 4.3020 4.3020 4.3050 4.3050 4.9921 4.9921 4.9944 4.9944 5.2261 5.2261 5.2269 5.2269 6.3750 6.3750 6.3785 6.3785 7.1787 7.1787 7.1885 7.1885 7.2634 7.2634 7.2778 7.2778 7.8229 7.8230 k = 0.0000 0.2402 0.1766 ( 16096 PWs) bands (ev): -8.8887 -8.8887 -8.8886 -8.8886 -7.5946 -7.5946 -7.5946 -7.5946 -6.9579 -6.9579 -6.9578 -6.9578 -6.7740 -6.7740 -6.7740 -6.7740 -3.9210 -3.9210 -3.9210 -3.9210 -1.9967 -1.9967 -1.9966 -1.9966 0.2837 0.2837 0.2837 0.2837 1.3304 1.3304 1.3316 1.3316 1.5769 1.5769 1.5793 1.5793 1.8856 1.8856 1.8880 1.8880 2.1857 2.1857 2.1892 2.1892 2.9567 2.9567 2.9581 2.9581 3.5797 3.5797 3.5827 3.5827 3.7411 3.7411 3.7475 3.7475 3.8465 3.8465 3.8528 3.8528 4.3082 4.3082 4.3102 4.3102 5.0021 5.0021 5.0037 5.0037 5.2293 5.2293 5.2299 5.2299 6.3564 6.3564 6.3588 6.3588 7.1773 7.1773 7.1839 7.1839 7.2615 7.2615 7.2712 7.2712 7.8210 7.8211 k = 0.0000 0.2402 0.1892 ( 16090 PWs) bands (ev): -8.8883 -8.8883 -8.8883 -8.8883 -7.5981 -7.5981 -7.5981 -7.5981 -6.9486 -6.9486 -6.9485 -6.9485 -6.7795 -6.7795 -6.7795 -6.7795 -3.9228 -3.9228 -3.9227 -3.9227 -1.9958 -1.9958 -1.9958 -1.9958 0.2867 0.2867 0.2868 0.2868 1.3323 1.3323 1.3329 1.3329 1.5775 1.5775 1.5787 1.5787 1.8958 1.8958 1.8972 1.8972 2.1637 2.1637 2.1657 2.1657 2.9550 2.9550 2.9557 2.9557 3.5981 3.5981 3.5999 3.5999 3.7374 3.7374 3.7412 3.7412 3.8447 3.8447 3.8481 3.8481 4.3121 4.3121 4.3131 4.3131 5.0088 5.0088 5.0097 5.0097 5.2312 5.2312 5.2315 5.2315 6.3450 6.3450 6.3462 6.3462 7.1768 7.1768 7.1801 7.1801 7.2616 7.2616 7.2665 7.2665 7.8199 7.8201 k = 0.0000 0.2402 0.2018 ( 16080 PWs) bands (ev): -8.8882 -8.8882 -8.8882 -8.8882 -7.5993 -7.5993 -7.5993 -7.5993 -6.9453 -6.9453 -6.9453 -6.9453 -6.7815 -6.7815 -6.7815 -6.7815 -3.9234 -3.9234 -3.9234 -3.9234 -1.9955 -1.9955 -1.9955 -1.9955 0.2878 0.2878 0.2878 0.2878 1.3332 1.3332 1.3332 1.3332 1.5780 1.5780 1.5780 1.5780 1.9005 1.9005 1.9005 1.9005 2.1565 2.1565 2.1565 2.1565 2.9546 2.9546 2.9546 2.9546 3.6055 3.6055 3.6055 3.6055 3.7372 3.7372 3.7372 3.7372 3.8453 3.8453 3.8453 3.8453 4.3137 4.3137 4.3137 4.3137 5.0115 5.0115 5.0115 5.0115 5.2319 5.2319 5.2319 5.2319 6.3416 6.3416 6.3416 6.3416 7.1776 7.1776 7.1776 7.1776 7.2634 7.2634 7.2634 7.2634 7.8198 7.8198 k = 0.5000-0.0000 0.2018 ( 16076 PWs) bands (ev): -7.6588 -7.6588 -7.6588 -7.6588 -7.6497 -7.6497 -7.6497 -7.6497 -6.7851 -6.7851 -6.7851 -6.7851 -6.7772 -6.7772 -6.7772 -6.7772 -3.7117 -3.7117 -3.7117 -3.7117 -3.6915 -3.6915 -3.6915 -3.6915 0.1751 0.1751 0.1751 0.1751 0.2158 0.2158 0.2158 0.2158 1.2671 1.2671 1.2671 1.2671 1.4201 1.4201 1.4201 1.4201 2.2346 2.2346 2.2346 2.2346 2.3468 2.3468 2.3468 2.3468 2.5241 2.5241 2.5241 2.5241 2.7297 2.7297 2.7297 2.7297 3.7589 3.7589 3.7589 3.7589 3.9025 3.9025 3.9025 3.9025 4.5039 4.5039 4.5039 4.5039 4.6169 4.6169 4.6169 4.6169 7.2831 7.2831 7.2831 7.2831 7.4355 7.4355 7.4355 7.4355 8.3971 8.3971 8.3971 8.3971 8.4135 8.4135 k = 0.5000-0.0000 0.1892 ( 16078 PWs) bands (ev): -7.6622 -7.6622 -7.6621 -7.6621 -7.6463 -7.6463 -7.6463 -7.6463 -6.7896 -6.7896 -6.7894 -6.7894 -6.7729 -6.7729 -6.7727 -6.7727 -3.7122 -3.7122 -3.7121 -3.7121 -3.6910 -3.6910 -3.6910 -3.6910 0.1564 0.1564 0.1566 0.1566 0.2338 0.2338 0.2340 0.2340 1.2663 1.2663 1.2667 1.2667 1.4225 1.4225 1.4228 1.4228 2.2325 2.2325 2.2358 2.2358 2.3441 2.3441 2.3479 2.3479 2.5239 2.5239 2.5278 2.5278 2.7310 2.7310 2.7336 2.7336 3.7552 3.7552 3.7559 3.7559 3.9019 3.9019 3.9035 3.9035 4.4998 4.4998 4.5010 4.5010 4.6145 4.6145 4.6150 4.6150 7.2836 7.2836 7.2845 7.2845 7.4398 7.4398 7.4408 7.4408 8.3774 8.3774 8.3823 8.3823 8.4322 8.4322 k = 0.5000-0.0000 0.1766 ( 16098 PWs) bands (ev): -7.6678 -7.6678 -7.6677 -7.6677 -7.6405 -7.6405 -7.6403 -7.6403 -6.7966 -6.7966 -6.7963 -6.7963 -6.7662 -6.7662 -6.7660 -6.7660 -3.7136 -3.7136 -3.7134 -3.7134 -3.6897 -3.6897 -3.6896 -3.6896 0.1259 0.1259 0.1260 0.1260 0.2626 0.2626 0.2629 0.2629 1.2648 1.2648 1.2655 1.2655 1.4294 1.4294 1.4299 1.4299 2.2294 2.2294 2.2358 2.2358 2.3402 2.3402 2.3472 2.3472 2.5273 2.5273 2.5346 2.5346 2.7375 2.7375 2.7425 2.7425 3.7455 3.7455 3.7466 3.7466 3.9012 3.9012 3.9043 3.9043 4.4892 4.4892 4.4916 4.4916 4.6078 4.6078 4.6088 4.6088 7.2863 7.2863 7.2880 7.2880 7.4531 7.4531 7.4550 7.4550 8.3580 8.3580 8.3629 8.3629 8.4635 8.4635 k = 0.5000-0.0000 0.1640 ( 16090 PWs) bands (ev): -7.6737 -7.6737 -7.6736 -7.6736 -7.6342 -7.6342 -7.6341 -7.6341 -6.8037 -6.8037 -6.8035 -6.8035 -6.7594 -6.7594 -6.7592 -6.7592 -3.7155 -3.7155 -3.7153 -3.7153 -3.6878 -3.6878 -3.6876 -3.6876 0.0942 0.0942 0.0944 0.0944 0.2912 0.2912 0.2915 0.2915 1.2642 1.2642 1.2651 1.2651 1.4394 1.4394 1.4401 1.4401 2.2252 2.2252 2.2344 2.2344 2.3358 2.3358 2.3449 2.3449 2.5347 2.5347 2.5443 2.5443 2.7491 2.7491 2.7562 2.7562 3.7310 3.7310 3.7324 3.7324 3.8990 3.8990 3.9035 3.9035 4.4722 4.4722 4.4758 4.4758 4.5975 4.5975 4.5989 4.5989 7.2919 7.2919 7.2942 7.2942 7.4742 7.4742 7.4767 7.4767 8.3431 8.3431 8.3477 8.3477 8.4983 8.4983 k = 0.5000-0.0000 0.1514 ( 16104 PWs) bands (ev): -7.6794 -7.6794 -7.6793 -7.6793 -7.6279 -7.6279 -7.6278 -7.6278 -6.8108 -6.8108 -6.8106 -6.8106 -6.7528 -6.7528 -6.7525 -6.7525 -3.7177 -3.7177 -3.7175 -3.7175 -3.6856 -3.6856 -3.6854 -3.6854 0.0630 0.0630 0.0632 0.0632 0.3177 0.3177 0.3182 0.3182 1.2661 1.2661 1.2673 1.2673 1.4508 1.4508 1.4517 1.4517 2.2187 2.2187 2.2300 2.2300 2.3324 2.3324 2.3425 2.3425 2.5455 2.5455 2.5565 2.5565 2.7656 2.7656 2.7744 2.7744 3.7133 3.7133 3.7148 3.7148 3.8938 3.8938 3.8994 3.8994 4.4496 4.4496 4.4544 4.4544 4.5843 4.5843 4.5861 4.5861 7.3008 7.3008 7.3034 7.3034 7.5011 7.5011 7.5042 7.5042 8.3330 8.3330 8.3373 8.3373 8.5355 8.5355 k = 0.5000-0.0000 0.1387 ( 16110 PWs) bands (ev): -7.6848 -7.6848 -7.6848 -7.6848 -7.6217 -7.6217 -7.6216 -7.6216 -6.8178 -6.8178 -6.8175 -6.8175 -6.7464 -6.7464 -6.7462 -6.7462 -3.7200 -3.7200 -3.7198 -3.7198 -3.6833 -3.6833 -3.6830 -3.6830 0.0330 0.0330 0.0332 0.0332 0.3414 0.3414 0.3420 0.3420 1.2718 1.2718 1.2732 1.2732 1.4624 1.4624 1.4634 1.4634 2.2080 2.2080 2.2203 2.2203 2.3329 2.3329 2.3428 2.3428 2.5588 2.5588 2.5705 2.5705 2.7869 2.7869 2.7968 2.7968 3.6937 3.6937 3.6952 3.6952 3.8842 3.8842 3.8907 3.8907 4.4222 4.4222 4.4281 4.4281 4.5692 4.5692 4.5715 4.5715 7.3129 7.3129 7.3157 7.3157 7.5322 7.5322 7.5356 7.5356 8.3276 8.3276 8.3315 8.3315 8.5740 8.5740 k = 0.5000-0.0000 0.1261 ( 16094 PWs) bands (ev): -7.6900 -7.6900 -7.6899 -7.6899 -7.6157 -7.6157 -7.6156 -7.6156 -6.8244 -6.8244 -6.8242 -6.8242 -6.7404 -6.7404 -6.7402 -6.7402 -3.7224 -3.7224 -3.7221 -3.7221 -3.6809 -3.6809 -3.6807 -3.6807 0.0047 0.0047 0.0049 0.0049 0.3618 0.3618 0.3624 0.3624 1.2823 1.2823 1.2838 1.2838 1.4733 1.4733 1.4744 1.4744 2.1913 2.1913 2.2032 2.2032 2.3396 2.3396 2.3482 2.3482 2.5737 2.5737 2.5855 2.5855 2.8125 2.8125 2.8233 2.8233 3.6732 3.6732 3.6748 3.6748 3.8692 3.8692 3.8766 3.8766 4.3909 4.3909 4.3979 4.3979 4.5536 4.5536 4.5562 4.5562 7.3280 7.3280 7.3309 7.3309 7.5657 7.5657 7.5693 7.5693 8.3268 8.3268 8.3305 8.3305 8.6126 8.6126 k = 0.5000-0.0000 0.1135 ( 16108 PWs) bands (ev): -7.6948 -7.6948 -7.6947 -7.6947 -7.6100 -7.6100 -7.6099 -7.6099 -6.8307 -6.8307 -6.8305 -6.8305 -6.7349 -6.7349 -6.7346 -6.7346 -3.7246 -3.7246 -3.7244 -3.7244 -3.6786 -3.6786 -3.6784 -3.6784 -0.0217 -0.0217 -0.0215 -0.0215 0.3786 0.3786 0.3793 0.3793 1.2977 1.2977 1.2995 1.2995 1.4833 1.4833 1.4846 1.4846 2.1678 2.1678 2.1786 2.1786 2.3529 2.3529 2.3599 2.3599 2.5890 2.5890 2.6007 2.6007 2.8423 2.8423 2.8534 2.8534 3.6527 3.6527 3.6544 3.6544 3.8484 3.8484 3.8566 3.8566 4.3569 4.3569 4.3646 4.3646 4.5384 4.5384 4.5412 4.5412 7.3453 7.3453 7.3483 7.3483 7.6001 7.6001 7.6039 7.6039 8.3304 8.3304 8.3337 8.3337 8.6499 8.6499 k = 0.5000-0.0000 0.1009 ( 16108 PWs) bands (ev): -7.6992 -7.6992 -7.6991 -7.6991 -7.6047 -7.6047 -7.6046 -7.6046 -6.8366 -6.8366 -6.8364 -6.8364 -6.7297 -6.7297 -6.7295 -6.7295 -3.7267 -3.7267 -3.7265 -3.7265 -3.6764 -3.6764 -3.6762 -3.6762 -0.0459 -0.0459 -0.0457 -0.0457 0.3918 0.3918 0.3926 0.3926 1.3178 1.3178 1.3197 1.3197 1.4928 1.4928 1.4941 1.4941 2.1382 2.1382 2.1477 2.1477 2.3713 2.3713 2.3770 2.3770 2.6042 2.6042 2.6155 2.6155 2.8755 2.8755 2.8867 2.8867 3.6325 3.6325 3.6345 3.6345 3.8220 3.8220 3.8309 3.8309 4.3210 4.3210 4.3294 4.3294 4.5246 4.5246 4.5275 4.5275 7.3642 7.3642 7.3671 7.3671 7.6341 7.6341 7.6379 7.6379 8.3377 8.3377 8.3407 8.3407 8.6843 8.6844 k = 0.5000-0.0000 0.0883 ( 16116 PWs) bands (ev): -7.7031 -7.7031 -7.7030 -7.7030 -7.5998 -7.5998 -7.5997 -7.5997 -6.8420 -6.8420 -6.8418 -6.8418 -6.7251 -6.7251 -6.7248 -6.7248 -3.7287 -3.7287 -3.7284 -3.7284 -3.6744 -3.6744 -3.6742 -3.6742 -0.0677 -0.0677 -0.0674 -0.0674 0.4018 0.4018 0.4026 0.4026 1.3414 1.3414 1.3433 1.3433 1.5025 1.5025 1.5040 1.5040 2.1035 2.1035 2.1118 2.1118 2.3930 2.3930 2.3978 2.3978 2.6190 2.6190 2.6297 2.6297 2.9116 2.9116 2.9226 2.9226 3.6130 3.6130 3.6155 3.6155 3.7911 3.7911 3.8004 3.8004 4.2847 4.2847 4.2934 4.2934 4.5127 4.5127 4.5156 4.5156 7.3836 7.3836 7.3865 7.3865 7.6664 7.6664 7.6702 7.6702 8.3481 8.3481 8.3508 8.3508 8.7141 8.7141 k = 0.5000-0.0000 0.0757 ( 16114 PWs) bands (ev): -7.7066 -7.7066 -7.7065 -7.7065 -7.5954 -7.5954 -7.5953 -7.5953 -6.8469 -6.8469 -6.8467 -6.8467 -6.7210 -6.7210 -6.7207 -6.7207 -3.7305 -3.7305 -3.7302 -3.7302 -3.6726 -3.6726 -3.6724 -3.6724 -0.0869 -0.0869 -0.0866 -0.0866 0.4088 0.4088 0.4098 0.4098 1.3664 1.3664 1.3684 1.3684 1.5143 1.5143 1.5159 1.5159 2.0648 2.0648 2.0720 2.0720 2.4161 2.4161 2.4204 2.4204 2.6331 2.6331 2.6430 2.6430 2.9496 2.9496 2.9601 2.9601 3.5940 3.5940 3.5971 3.5971 3.7573 3.7573 3.7667 3.7667 4.2489 4.2489 4.2578 4.2578 4.5029 4.5029 4.5058 4.5058 7.4026 7.4026 7.4054 7.4054 7.6962 7.6962 7.6999 7.6999 8.3606 8.3606 8.3630 8.3630 8.7378 8.7378 k = 0.5000-0.0000 0.0631 ( 16134 PWs) bands (ev): -7.7095 -7.7095 -7.7095 -7.7095 -7.5916 -7.5916 -7.5914 -7.5914 -6.8511 -6.8511 -6.8509 -6.8509 -6.7175 -6.7175 -6.7172 -6.7172 -3.7320 -3.7320 -3.7317 -3.7317 -3.6711 -3.6711 -3.6708 -3.6708 -0.1033 -0.1033 -0.1030 -0.1030 0.4136 0.4136 0.4146 0.4146 1.3900 1.3900 1.3918 1.3918 1.5305 1.5305 1.5322 1.5322 2.0231 2.0231 2.0294 2.0294 2.4389 2.4389 2.4428 2.4428 2.6466 2.6466 2.6554 2.6554 2.9886 2.9886 2.9985 2.9985 3.5746 3.5746 3.5787 3.5787 3.7233 3.7233 3.7324 3.7324 4.2152 4.2152 4.2240 4.2240 4.4953 4.4953 4.4980 4.4980 7.4204 7.4204 7.4231 7.4231 7.7226 7.7226 7.7262 7.7262 8.3740 8.3740 8.3762 8.3762 8.7545 8.7545 k = 0.5000-0.0000 0.0505 ( 16138 PWs) bands (ev): -7.7120 -7.7120 -7.7120 -7.7120 -7.5883 -7.5883 -7.5882 -7.5882 -6.8546 -6.8546 -6.8544 -6.8544 -6.7146 -6.7146 -6.7143 -6.7143 -3.7333 -3.7333 -3.7330 -3.7330 -3.6697 -3.6697 -3.6695 -3.6695 -0.1169 -0.1169 -0.1166 -0.1166 0.4166 0.4166 0.4176 0.4176 1.4090 1.4090 1.4105 1.4105 1.5531 1.5531 1.5550 1.5550 1.9799 1.9799 1.9852 1.9852 2.4597 2.4597 2.4632 2.4632 2.6591 2.6591 2.6666 2.6666 3.0271 3.0271 3.0364 3.0364 3.5538 3.5538 3.5592 3.5592 3.6926 3.6926 3.7007 3.7007 4.1848 4.1848 4.1934 4.1934 4.4895 4.4895 4.4921 4.4921 7.4361 7.4361 7.4387 7.4387 7.7450 7.7450 7.7485 7.7485 8.3872 8.3872 8.3893 8.3893 8.7646 8.7646 k = 0.5000-0.0000 0.0378 ( 16150 PWs) bands (ev): -7.7139 -7.7139 -7.7139 -7.7139 -7.5858 -7.5858 -7.5856 -7.5856 -6.8574 -6.8574 -6.8572 -6.8572 -6.7123 -6.7123 -6.7120 -6.7120 -3.7343 -3.7343 -3.7340 -3.7340 -3.6687 -3.6687 -3.6685 -3.6685 -0.1275 -0.1275 -0.1272 -0.1272 0.4184 0.4184 0.4194 0.4194 1.4222 1.4222 1.4233 1.4233 1.5819 1.5819 1.5839 1.5839 1.9367 1.9367 1.9412 1.9412 2.4771 2.4771 2.4802 2.4802 2.6702 2.6702 2.6762 2.6762 3.0634 3.0634 3.0719 3.0719 3.5310 3.5310 3.5378 3.5378 3.6685 3.6685 3.6750 3.6750 4.1592 4.1592 4.1674 4.1674 4.4855 4.4855 4.4879 4.4879 7.4490 7.4490 7.4516 7.4516 7.7630 7.7630 7.7664 7.7664 8.3990 8.3990 8.4011 8.4011 8.7695 8.7695 k = 0.5000-0.0000 0.0252 ( 16130 PWs) bands (ev): -7.7153 -7.7153 -7.7153 -7.7153 -7.5839 -7.5839 -7.5838 -7.5838 -6.8594 -6.8594 -6.8593 -6.8593 -6.7106 -6.7106 -6.7104 -6.7104 -3.7350 -3.7350 -3.7347 -3.7347 -3.6680 -3.6680 -3.6677 -3.6677 -0.1352 -0.1352 -0.1349 -0.1349 0.4193 0.4193 0.4204 0.4204 1.4300 1.4300 1.4308 1.4308 1.6134 1.6134 1.6155 1.6155 1.8967 1.8967 1.9002 1.9002 2.4901 2.4901 2.4927 2.4927 2.6793 2.6793 2.6836 2.6836 3.0945 3.0945 3.1022 3.1022 3.5082 3.5082 3.5164 3.5164 3.6526 3.6526 3.6570 3.6570 4.1397 4.1397 4.1476 4.1476 4.4827 4.4827 4.4851 4.4851 7.4587 7.4587 7.4612 7.4612 7.7761 7.7761 7.7794 7.7794 8.4084 8.4084 8.4104 8.4104 8.7711 8.7711 k = 0.5000-0.0000 0.0126 ( 16134 PWs) bands (ev): -7.7162 -7.7162 -7.7162 -7.7162 -7.5828 -7.5828 -7.5827 -7.5827 -6.8606 -6.8606 -6.8605 -6.8605 -6.7096 -6.7096 -6.7094 -6.7094 -3.7354 -3.7354 -3.7352 -3.7352 -3.6675 -3.6675 -3.6673 -3.6673 -0.1398 -0.1398 -0.1395 -0.1395 0.4198 0.4198 0.4208 0.4208 1.4341 1.4341 1.4346 1.4346 1.6406 1.6406 1.6423 1.6423 1.8656 1.8656 1.8677 1.8677 2.4982 2.4982 2.5002 2.5002 2.6855 2.6855 2.6881 2.6881 3.1163 3.1163 3.1234 3.1234 3.4905 3.4905 3.4995 3.4995 3.6443 3.6443 3.6466 3.6466 4.1275 4.1275 4.1351 4.1351 4.4812 4.4812 4.4835 4.4835 7.4646 7.4646 7.4671 7.4671 7.7841 7.7841 7.7874 7.7874 8.4143 8.4143 8.4163 8.4163 8.7712 8.7712 k = 0.5000-0.0000-0.0000 ( 16158 PWs) bands (ev): -7.7165 -7.7165 -7.7164 -7.7164 -7.5824 -7.5824 -7.5823 -7.5823 -6.8611 -6.8611 -6.8609 -6.8609 -6.7093 -6.7093 -6.7090 -6.7090 -3.7356 -3.7356 -3.7353 -3.7353 -3.6674 -3.6674 -3.6671 -3.6671 -0.1413 -0.1413 -0.1410 -0.1410 0.4199 0.4199 0.4209 0.4209 1.4353 1.4353 1.4358 1.4358 1.6523 1.6523 1.6535 1.6535 1.8537 1.8537 1.8539 1.8539 2.5010 2.5010 2.5027 2.5027 2.6879 2.6879 2.6894 2.6894 3.1243 3.1243 3.1311 3.1311 3.4837 3.4837 3.4930 3.4930 3.6421 3.6421 3.6429 3.6429 4.1233 4.1233 4.1308 4.1308 4.4807 4.4807 4.4830 4.4830 7.4667 7.4667 7.4691 7.4691 7.7868 7.7868 7.7900 7.7900 8.4164 8.4164 8.4184 8.4184 8.7711 8.7711 k = 0.5000 0.2402-0.0000 ( 16100 PWs) bands (ev): -7.6547 -7.6547 -7.6547 -7.6547 -7.5775 -7.5775 -7.5775 -7.5775 -6.8951 -6.8951 -6.8951 -6.8951 -6.8147 -6.8147 -6.8147 -6.8147 -3.6490 -3.6490 -3.6490 -3.6490 -3.5433 -3.5433 -3.5433 -3.5433 0.0883 0.0883 0.0883 0.0883 0.2363 0.2363 0.2363 0.2363 1.0950 1.0950 1.0950 1.0950 1.2265 1.2265 1.2265 1.2265 1.9635 1.9635 1.9635 1.9635 2.0926 2.0926 2.0926 2.0926 2.9578 2.9578 2.9578 2.9578 3.2124 3.2124 3.2124 3.2124 3.4153 3.4153 3.4153 3.4153 3.7060 3.7060 3.7060 3.7060 4.7145 4.7145 4.7145 4.7145 4.8709 4.8709 4.8709 4.8709 7.6852 7.6852 7.6852 7.6852 7.9588 7.9588 7.9588 7.9588 8.3480 8.3480 8.3480 8.3480 8.6064 8.6064 k = 0.5000 0.2402 0.0126 ( 16092 PWs) bands (ev): -7.6545 -7.6545 -7.6545 -7.6545 -7.5777 -7.5777 -7.5777 -7.5777 -6.8949 -6.8949 -6.8949 -6.8949 -6.8149 -6.8149 -6.8149 -6.8149 -3.6488 -3.6488 -3.6488 -3.6488 -3.5436 -3.5436 -3.5436 -3.5436 0.0895 0.0895 0.0895 0.0895 0.2368 0.2368 0.2369 0.2369 1.0950 1.0950 1.0951 1.0951 1.2264 1.2264 1.2266 1.2266 1.9593 1.9593 1.9594 1.9594 2.0872 2.0872 2.0876 2.0876 2.9610 2.9610 2.9613 2.9613 3.2107 3.2107 3.2113 3.2113 3.4224 3.4224 3.4226 3.4226 3.7071 3.7071 3.7071 3.7071 4.7150 4.7150 4.7150 4.7150 4.8715 4.8715 4.8717 4.8717 7.6811 7.6811 7.6811 7.6811 7.9477 7.9477 7.9479 7.9479 8.3543 8.3543 8.3545 8.3545 8.6047 8.6047 k = 0.5000 0.2402 0.0252 ( 16096 PWs) bands (ev): -7.6540 -7.6540 -7.6540 -7.6540 -7.5782 -7.5782 -7.5782 -7.5782 -6.8944 -6.8944 -6.8944 -6.8944 -6.8155 -6.8155 -6.8155 -6.8155 -3.6480 -3.6480 -3.6480 -3.6480 -3.5443 -3.5443 -3.5443 -3.5443 0.0931 0.0931 0.0932 0.0932 0.2384 0.2384 0.2385 0.2385 1.0951 1.0951 1.0953 1.0953 1.2262 1.2262 1.2265 1.2265 1.9472 1.9472 1.9474 1.9474 2.0719 2.0719 2.0727 2.0727 2.9705 2.9705 2.9711 2.9711 3.2072 3.2072 3.2084 3.2084 3.4424 3.4424 3.4428 3.4428 3.7104 3.7104 3.7105 3.7105 4.7166 4.7166 4.7167 4.7167 4.8736 4.8736 4.8738 4.8738 7.6688 7.6688 7.6688 7.6688 7.9171 7.9171 7.9174 7.9174 8.3710 8.3710 8.3714 8.3714 8.6000 8.6000 k = 0.5000 0.2402 0.0378 ( 16076 PWs) bands (ev): -7.6531 -7.6531 -7.6531 -7.6531 -7.5792 -7.5792 -7.5792 -7.5792 -6.8934 -6.8934 -6.8934 -6.8934 -6.8165 -6.8165 -6.8165 -6.8165 -3.6467 -3.6467 -3.6467 -3.6467 -3.5455 -3.5455 -3.5455 -3.5455 0.0990 0.0990 0.0992 0.0992 0.2410 0.2410 0.2412 0.2412 1.0953 1.0953 1.0956 1.0956 1.2258 1.2258 1.2263 1.2263 1.9278 1.9278 1.9282 1.9282 2.0477 2.0477 2.0488 2.0488 2.9852 2.9852 2.9862 2.9862 3.2043 3.2043 3.2058 3.2058 3.4719 3.4719 3.4721 3.4721 3.7163 3.7163 3.7163 3.7163 4.7194 4.7194 4.7196 4.7196 4.8770 4.8770 4.8774 4.8774 7.6487 7.6487 7.6488 7.6488 7.8721 7.8721 7.8726 7.8726 8.3928 8.3928 8.3934 8.3934 8.5931 8.5931 k = 0.5000 0.2402 0.0505 ( 16096 PWs) bands (ev): -7.6518 -7.6518 -7.6518 -7.6518 -7.5805 -7.5805 -7.5805 -7.5805 -6.8922 -6.8922 -6.8921 -6.8921 -6.8179 -6.8179 -6.8178 -6.8178 -3.6449 -3.6449 -3.6448 -3.6448 -3.5472 -3.5472 -3.5472 -3.5472 0.1071 0.1071 0.1074 0.1074 0.2446 0.2446 0.2448 0.2448 1.0957 1.0957 1.0961 1.0961 1.2253 1.2253 1.2259 1.2259 1.9025 1.9025 1.9029 1.9029 2.0163 2.0163 2.0177 2.0177 3.0038 3.0038 3.0051 3.0051 3.2037 3.2037 3.2053 3.2053 3.5069 3.5069 3.5070 3.5070 3.7247 3.7247 3.7248 3.7248 4.7237 4.7237 4.7239 4.7239 4.8819 4.8819 4.8825 4.8825 7.6216 7.6216 7.6217 7.6217 7.8177 7.8177 7.8183 7.8183 8.4148 8.4148 8.4155 8.4155 8.5848 8.5848 k = 0.5000 0.2402 0.0631 ( 16100 PWs) bands (ev): -7.6503 -7.6503 -7.6503 -7.6503 -7.5822 -7.5822 -7.5822 -7.5822 -6.8905 -6.8905 -6.8905 -6.8905 -6.8196 -6.8196 -6.8196 -6.8196 -3.6426 -3.6426 -3.6426 -3.6426 -3.5494 -3.5494 -3.5493 -3.5493 0.1173 0.1173 0.1176 0.1176 0.2489 0.2489 0.2492 0.2492 1.0964 1.0964 1.0968 1.0968 1.2247 1.2247 1.2253 1.2253 1.8724 1.8724 1.8730 1.8730 1.9795 1.9795 1.9811 1.9811 3.0248 3.0248 3.0263 3.0263 3.2061 3.2061 3.2078 3.2078 3.5438 3.5438 3.5443 3.5443 3.7361 3.7361 3.7364 3.7364 4.7297 4.7297 4.7299 4.7299 4.8883 4.8883 4.8889 4.8889 7.5884 7.5884 7.5885 7.5885 7.7576 7.7576 7.7583 7.7583 8.4340 8.4340 8.4345 8.4345 8.5760 8.5760 k = 0.5000 0.2402 0.0757 ( 16108 PWs) bands (ev): -7.6484 -7.6484 -7.6484 -7.6484 -7.5842 -7.5842 -7.5842 -7.5842 -6.8885 -6.8885 -6.8885 -6.8885 -6.8217 -6.8217 -6.8216 -6.8216 -3.6399 -3.6399 -3.6398 -3.6398 -3.5520 -3.5520 -3.5519 -3.5519 0.1293 0.1293 0.1296 0.1296 0.2538 0.2538 0.2542 0.2542 1.0975 1.0975 1.0980 1.0980 1.2237 1.2237 1.2245 1.2245 1.8391 1.8391 1.8397 1.8397 1.9392 1.9392 1.9410 1.9410 3.0468 3.0468 3.0485 3.0485 3.2113 3.2113 3.2131 3.2131 3.5799 3.5799 3.5811 3.5811 3.7505 3.7505 3.7513 3.7513 4.7376 4.7376 4.7379 4.7379 4.8960 4.8960 4.8968 4.8968 7.5502 7.5502 7.5502 7.5502 7.6944 7.6944 7.6952 7.6952 8.4485 8.4485 8.4487 8.4487 8.5671 8.5671 k = 0.5000 0.2402 0.0883 ( 16092 PWs) bands (ev): -7.6462 -7.6462 -7.6462 -7.6462 -7.5865 -7.5865 -7.5865 -7.5865 -6.8862 -6.8862 -6.8862 -6.8862 -6.8241 -6.8241 -6.8240 -6.8240 -3.6367 -3.6367 -3.6366 -3.6366 -3.5550 -3.5550 -3.5549 -3.5549 0.1427 0.1427 0.1431 0.1431 0.2590 0.2590 0.2595 0.2595 1.0991 1.0991 1.0997 1.0997 1.2223 1.2223 1.2232 1.2232 1.8039 1.8039 1.8047 1.8047 1.8971 1.8971 1.8990 1.8990 3.0687 3.0687 3.0707 3.0707 3.2188 3.2188 3.2206 3.2206 3.6134 3.6134 3.6152 3.6152 3.7680 3.7680 3.7692 3.7692 4.7480 4.7480 4.7483 4.7483 4.9049 4.9049 4.9058 4.9058 7.5082 7.5082 7.5083 7.5083 7.6303 7.6303 7.6311 7.6311 8.4579 8.4579 8.4581 8.4581 8.5586 8.5586 k = 0.5000 0.2402 0.1009 ( 16108 PWs) bands (ev): -7.6437 -7.6437 -7.6437 -7.6437 -7.5891 -7.5891 -7.5891 -7.5891 -6.8837 -6.8837 -6.8836 -6.8836 -6.8268 -6.8268 -6.8268 -6.8268 -3.6332 -3.6332 -3.6331 -3.6331 -3.5583 -3.5583 -3.5583 -3.5583 0.1573 0.1573 0.1577 0.1577 0.2643 0.2643 0.2649 0.2649 1.1014 1.1014 1.1020 1.1020 1.2204 1.2204 1.2214 1.2214 1.7684 1.7684 1.7693 1.7693 1.8547 1.8547 1.8567 1.8567 3.0901 3.0901 3.0923 3.0923 3.2275 3.2275 3.2292 3.2292 3.6432 3.6432 3.6456 3.6456 3.7875 3.7875 3.7892 3.7892 4.7609 4.7609 4.7612 4.7612 4.9146 4.9146 4.9157 4.9157 7.4640 7.4640 7.4642 7.4642 7.5669 7.5669 7.5678 7.5678 8.4626 8.4626 8.4634 8.4634 8.5508 8.5508 k = 0.5000 0.2402 0.1135 ( 16104 PWs) bands (ev): -7.6410 -7.6410 -7.6409 -7.6409 -7.5920 -7.5920 -7.5920 -7.5920 -6.8808 -6.8808 -6.8807 -6.8807 -6.8298 -6.8298 -6.8297 -6.8297 -3.6293 -3.6293 -3.6292 -3.6292 -3.5621 -3.5621 -3.5620 -3.5620 0.1726 0.1726 0.1731 0.1731 0.2695 0.2695 0.2701 0.2701 1.1046 1.1046 1.1053 1.1053 1.2177 1.2177 1.2187 1.2187 1.7339 1.7339 1.7349 1.7349 1.8134 1.8134 1.8155 1.8155 3.1107 3.1107 3.1130 3.1130 3.2360 3.2360 3.2378 3.2378 3.6695 3.6695 3.6724 3.6724 3.8074 3.8074 3.8094 3.8094 4.7764 4.7764 4.7768 4.7768 4.9247 4.9247 4.9258 4.9258 7.4193 7.4193 7.4195 7.4195 7.5060 7.5060 7.5070 7.5070 8.4641 8.4641 8.4652 8.4652 8.5438 8.5438 k = 0.5000 0.2402 0.1261 ( 16116 PWs) bands (ev): -7.6380 -7.6380 -7.6380 -7.6380 -7.5951 -7.5951 -7.5951 -7.5951 -6.8777 -6.8777 -6.8776 -6.8776 -6.8330 -6.8330 -6.8330 -6.8330 -3.6250 -3.6250 -3.6249 -3.6249 -3.5661 -3.5661 -3.5660 -3.5660 0.1881 0.1881 0.1887 0.1887 0.2741 0.2741 0.2748 0.2748 1.1088 1.1088 1.1096 1.1096 1.2140 1.2140 1.2150 1.2150 1.7020 1.7020 1.7031 1.7031 1.7742 1.7742 1.7763 1.7763 3.1304 3.1304 3.1327 3.1327 3.2432 3.2432 3.2452 3.2452 3.6930 3.6930 3.6962 3.6962 3.8258 3.8258 3.8280 3.8280 4.7944 4.7944 4.7948 4.7948 4.9345 4.9345 4.9357 4.9357 7.3757 7.3757 7.3759 7.3759 7.4490 7.4490 7.4500 7.4500 8.4633 8.4633 8.4648 8.4648 8.5377 8.5378 k = 0.5000 0.2402 0.1387 ( 16120 PWs) bands (ev): -7.6348 -7.6348 -7.6348 -7.6348 -7.5984 -7.5984 -7.5984 -7.5984 -6.8744 -6.8744 -6.8743 -6.8743 -6.8364 -6.8364 -6.8364 -6.8364 -3.6206 -3.6206 -3.6205 -3.6205 -3.5704 -3.5704 -3.5704 -3.5704 0.2034 0.2034 0.2040 0.2040 0.2778 0.2778 0.2787 0.2787 1.1142 1.1142 1.1150 1.1150 1.2089 1.2089 1.2100 1.2100 1.6740 1.6740 1.6752 1.6752 1.7381 1.7381 1.7402 1.7402 3.1490 3.1490 3.1514 3.1514 3.2483 3.2483 3.2505 3.2505 3.7144 3.7144 3.7178 3.7178 3.8408 3.8408 3.8432 3.8432 4.8140 4.8140 4.8144 4.8144 4.9433 4.9433 4.9446 4.9446 7.3349 7.3349 7.3353 7.3353 7.3975 7.3975 7.3985 7.3985 8.4613 8.4613 8.4629 8.4629 8.5326 8.5326 k = 0.5000 0.2402 0.1514 ( 16120 PWs) bands (ev): -7.6314 -7.6314 -7.6314 -7.6314 -7.6019 -7.6019 -7.6019 -7.6019 -6.8708 -6.8708 -6.8708 -6.8708 -6.8401 -6.8401 -6.8400 -6.8400 -3.6159 -3.6159 -3.6158 -3.6158 -3.5750 -3.5750 -3.5749 -3.5749 0.2180 0.2180 0.2185 0.2185 0.2804 0.2804 0.2814 0.2814 1.1208 1.1208 1.1218 1.1218 1.2024 1.2024 1.2034 1.2034 1.6511 1.6511 1.6525 1.6525 1.7057 1.7057 1.7078 1.7078 3.1667 3.1667 3.1690 3.1690 3.2507 3.2507 3.2531 3.2531 3.7338 3.7338 3.7373 3.7373 3.8517 3.8517 3.8542 3.8542 4.8342 4.8342 4.8347 4.8347 4.9503 4.9503 4.9518 4.9518 7.2988 7.2988 7.2992 7.2992 7.3528 7.3528 7.3539 7.3539 8.4588 8.4588 8.4605 8.4605 8.5283 8.5283 k = 0.5000 0.2402 0.1640 ( 16140 PWs) bands (ev): -7.6279 -7.6279 -7.6279 -7.6279 -7.6055 -7.6055 -7.6055 -7.6055 -6.8672 -6.8672 -6.8671 -6.8671 -6.8438 -6.8438 -6.8438 -6.8438 -3.6110 -3.6110 -3.6109 -3.6109 -3.5797 -3.5797 -3.5796 -3.5796 0.2311 0.2311 0.2316 0.2316 0.2816 0.2816 0.2827 0.2827 1.1288 1.1288 1.1299 1.1299 1.1943 1.1943 1.1952 1.1952 1.6344 1.6344 1.6359 1.6359 1.6777 1.6777 1.6799 1.6799 3.1830 3.1830 3.1852 3.1852 3.2502 3.2502 3.2529 3.2529 3.7510 3.7510 3.7546 3.7546 3.8583 3.8583 3.8609 3.8609 4.8535 4.8535 4.8541 4.8541 4.9552 4.9552 4.9568 4.9568 7.2688 7.2688 7.2692 7.2692 7.3164 7.3164 7.3175 7.3175 8.4563 8.4563 8.4581 8.4581 8.5249 8.5250 k = 0.5000 0.2402 0.1766 ( 16136 PWs) bands (ev): -7.6243 -7.6243 -7.6242 -7.6242 -7.6092 -7.6092 -7.6092 -7.6092 -6.8634 -6.8634 -6.8633 -6.8633 -6.8477 -6.8477 -6.8476 -6.8476 -3.6061 -3.6061 -3.6060 -3.6060 -3.5845 -3.5845 -3.5845 -3.5845 0.2421 0.2421 0.2425 0.2425 0.2815 0.2815 0.2827 0.2827 1.1378 1.1378 1.1391 1.1391 1.1850 1.1850 1.1858 1.1858 1.6246 1.6246 1.6263 1.6263 1.6548 1.6548 1.6569 1.6569 3.1975 3.1975 3.1995 3.1995 3.2470 3.2470 3.2501 3.2501 3.7649 3.7649 3.7687 3.7687 3.8612 3.8612 3.8641 3.8641 4.8700 4.8700 4.8707 4.8707 4.9577 4.9577 4.9595 4.9595 7.2463 7.2463 7.2468 7.2468 7.2894 7.2894 7.2905 7.2905 8.4543 8.4543 8.4562 8.4562 8.5225 8.5225 k = 0.5000 0.2402 0.1892 ( 16132 PWs) bands (ev): -7.6205 -7.6205 -7.6205 -7.6205 -7.6130 -7.6130 -7.6129 -7.6129 -6.8595 -6.8595 -6.8594 -6.8594 -6.8516 -6.8516 -6.8515 -6.8515 -3.6014 -3.6014 -3.6013 -3.6013 -3.5892 -3.5892 -3.5891 -3.5891 0.2499 0.2499 0.2502 0.2502 0.2805 0.2805 0.2818 0.2818 1.1471 1.1471 1.1486 1.1486 1.1755 1.1755 1.1760 1.1760 1.6220 1.6220 1.6237 1.6237 1.6375 1.6375 1.6396 1.6396 3.2092 3.2092 3.2107 3.2107 3.2422 3.2422 3.2458 3.2458 3.7743 3.7743 3.7783 3.7783 3.8619 3.8619 3.8650 3.8650 4.8814 4.8814 4.8823 4.8823 4.9585 4.9585 4.9604 4.9604 7.2324 7.2324 7.2329 7.2329 7.2728 7.2728 7.2739 7.2739 8.4531 8.4531 8.4549 8.4549 8.5210 8.5210 k = 0.5000 0.2402 0.2018 ( 16136 PWs) bands (ev): -7.6170 -7.6170 -7.6170 -7.6170 -7.6165 -7.6165 -7.6164 -7.6164 -6.8559 -6.8559 -6.8559 -6.8559 -6.8552 -6.8552 -6.8551 -6.8551 -3.5986 -3.5986 -3.5984 -3.5984 -3.5920 -3.5920 -3.5920 -3.5920 0.2528 0.2528 0.2531 0.2531 0.2798 0.2798 0.2813 0.2813 1.1526 1.1526 1.1546 1.1546 1.1698 1.1698 1.1699 1.1699 1.6258 1.6258 1.6270 1.6270 1.6270 1.6270 1.6296 1.6296 3.2144 3.2144 3.2155 3.2155 3.2393 3.2393 3.2433 3.2433 3.7776 3.7776 3.7818 3.7818 3.8619 3.8619 3.8650 3.8650 4.8856 4.8856 4.8865 4.8865 4.9585 4.9585 4.9605 4.9605 7.2277 7.2277 7.2281 7.2281 7.2672 7.2672 7.2683 7.2683 8.4526 8.4526 8.4545 8.4545 8.5205 8.5206 Writing output data file SbSI.save init_run : 4.22s CPU 13.98s WALL ( 1 calls) electrons : 4201.14s CPU 4241.83s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.53s CPU 1.59s WALL ( 1 calls) Called by electrons: c_bands : 4201.03s CPU 4241.56s WALL ( 1 calls) v_of_rho : 0.19s CPU 0.90s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.18s CPU 0.63s WALL ( 1 calls) newd : 1.16s CPU 1.33s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.50s CPU 0.67s WALL ( 308 calls) cegterg : 3975.03s CPU 4011.44s WALL ( 1313 calls) Called by sum_band: Called by *egterg: h_psi : 1640.69s CPU 1660.80s WALL ( 25579 calls) s_psi : 275.66s CPU 276.43s WALL ( 25579 calls) g_psi : 5.11s CPU 5.10s WALL ( 23958 calls) cdiaghg : 1327.90s CPU 1325.19s WALL ( 24266 calls) cegterg:over : 369.35s CPU 363.07s WALL ( 23958 calls) cegterg:upda : 196.68s CPU 202.88s WALL ( 23958 calls) cegterg:last : 104.77s CPU 105.63s WALL ( 2545 calls) Called by h_psi: h_psi:vloc : 1065.47s CPU 1079.28s WALL ( 25579 calls) h_psi:vnl : 568.49s CPU 573.72s WALL ( 25579 calls) add_vuspsi : 243.58s CPU 255.34s WALL ( 25579 calls) General routines calbec : 324.77s CPU 318.13s WALL ( 25579 calls) fft : 0.64s CPU 1.42s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 1017.63s CPU 1029.03s WALL ( 2583164 calls) interpolate : 0.15s CPU 0.15s WALL ( 4 calls) davcio : 0.04s CPU 9.42s WALL ( 616 calls) Parallel routines fft_scatter : 636.61s CPU 639.68s WALL ( 2583187 calls) PWSCF : 1h12m CPU 1h20m WALL This run was terminated on: 3:45:15 23Dec2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=