Program PWSCF v.5.1.1 starts on 30Nov2015 at 2:47:42 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: ./LiScI3.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P 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 112 112 30 6158 6158 864 Max 113 113 31 6162 6162 868 Sum 5377 5377 1459 295691 295691 41593 bravais-lattice index = 14 lattice parameter (alat) = 13.7687 a.u. unit-cell volume = 2099.7991 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 70.00 number of Kohn-Sham states= 84 kinetic-energy cutoff = 103.0000 Ry charge density cutoff = 411.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.768733 celldm(2)= 1.000000 celldm(3)= 0.928892 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500000 0.866025 0.000000 ) a(3) = ( 0.000000 0.000000 0.928892 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.577350 -0.000000 ) b(2) = ( 0.000000 1.154701 -0.000000 ) b(3) = ( 0.000000 0.000000 1.076551 ) PseudoPot. # 1 for Li read from file: /home/autes/Pseudo/Li.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 9da6379fed0e9079eb53e17c51ce5ca0 Pseudo is Ultrasoft, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1017 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sc read from file: /home/autes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 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 Li 3.00 6.94100 Li( 1.00) Sc 11.00 44.95590 Sc( 1.00) I 7.00 126.90450 I( 1.00) 12 Sym. Ops. (no inversion) found ( 6 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 [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4644460 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) f =( 0.0000000 ) ( 1 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4644460 ) isym = 9 inv. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) f =( 0.0000000 ) ( 1 0 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 9) = ( -0.5000000 0.8660254 -0.0000000 ) f =( 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4644460 ) isym = 10 inv. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) f =( 0.0000000 ) ( -1 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s(10) = ( -0.5000000 -0.8660254 0.0000000 ) f =( 0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.4644460 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) f =( -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4644460 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) f =( 0.0000000 ) ( -1 0 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) f =( -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.4644460 ) double point group D_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 3C2'-3C2' 2 -6 -5 -2 5 6 2C3 3 4 3s_v-3s_v 7 -7 3s_v-3s_v 8 -8 11 -12 -11 12 2S3 9 10 -E -1 -2C3 -3 -4 -2S3 -9 -10 Cartesian axes number of k points= 219 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 2) = ( 0.0200000 0.0115470 -0.0000000), wk = 0.0045662 k( 3) = ( 0.0400000 0.0230940 -0.0000000), wk = 0.0045662 k( 4) = ( 0.0600000 0.0346410 -0.0000000), wk = 0.0045662 k( 5) = ( 0.0800000 0.0461880 -0.0000000), wk = 0.0045662 k( 6) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0045662 k( 7) = ( 0.1200000 0.0692820 -0.0000000), wk = 0.0045662 k( 8) = ( 0.1400000 0.0808290 -0.0000000), wk = 0.0045662 k( 9) = ( 0.1600000 0.0923760 -0.0000000), wk = 0.0045662 k( 10) = ( 0.1800000 0.1039230 -0.0000000), wk = 0.0045662 k( 11) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0045662 k( 12) = ( 0.2200000 0.1270171 -0.0000000), wk = 0.0045662 k( 13) = ( 0.2400000 0.1385641 -0.0000000), wk = 0.0045662 k( 14) = ( 0.2600000 0.1501111 -0.0000000), wk = 0.0045662 k( 15) = ( 0.2800000 0.1616581 -0.0000000), wk = 0.0045662 k( 16) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0045662 k( 17) = ( 0.3200000 0.1847521 -0.0000000), wk = 0.0045662 k( 18) = ( 0.3400000 0.1962991 -0.0000000), wk = 0.0045662 k( 19) = ( 0.3600000 0.2078461 -0.0000000), wk = 0.0045662 k( 20) = ( 0.3800000 0.2193931 -0.0000000), wk = 0.0045662 k( 21) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0045662 k( 22) = ( 0.4200000 0.2424871 -0.0000000), wk = 0.0045662 k( 23) = ( 0.4400000 0.2540341 -0.0000000), wk = 0.0045662 k( 24) = ( 0.4600000 0.2655811 -0.0000000), wk = 0.0045662 k( 25) = ( 0.4800000 0.2771281 -0.0000000), wk = 0.0045662 k( 26) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0045662 k( 27) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0045662 k( 28) = ( 0.4888889 0.3079201 -0.0000000), wk = 0.0045662 k( 29) = ( 0.4777778 0.3271651 -0.0000000), wk = 0.0045662 k( 30) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0045662 k( 31) = ( 0.4555556 0.3656552 -0.0000000), wk = 0.0045662 k( 32) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0045662 k( 33) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0045662 k( 34) = ( 0.4222222 0.4233902 -0.0000000), wk = 0.0045662 k( 35) = ( 0.4111111 0.4426352 -0.0000000), wk = 0.0045662 k( 36) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0045662 k( 37) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0045662 k( 38) = ( 0.3777778 0.5003702 -0.0000000), wk = 0.0045662 k( 39) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0045662 k( 40) = ( 0.3555556 0.5388603 -0.0000000), wk = 0.0045662 k( 41) = ( 0.3444444 0.5581053 -0.0000000), wk = 0.0045662 k( 42) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0045662 k( 43) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0045662 k( 44) = ( 0.3218391 0.5574416 -0.0000000), wk = 0.0045662 k( 45) = ( 0.3103448 0.5375330 -0.0000000), wk = 0.0045662 k( 46) = ( 0.2988506 0.5176244 -0.0000000), wk = 0.0045662 k( 47) = ( 0.2873563 0.4977157 -0.0000000), wk = 0.0045662 k( 48) = ( 0.2758621 0.4778071 -0.0000000), wk = 0.0045662 k( 49) = ( 0.2643678 0.4578985 -0.0000000), wk = 0.0045662 k( 50) = ( 0.2528736 0.4379899 -0.0000000), wk = 0.0045662 k( 51) = ( 0.2413793 0.4180812 -0.0000000), wk = 0.0045662 k( 52) = ( 0.2298851 0.3981726 -0.0000000), wk = 0.0045662 k( 53) = ( 0.2183908 0.3782640 -0.0000000), wk = 0.0045662 k( 54) = ( 0.2068966 0.3583553 -0.0000000), wk = 0.0045662 k( 55) = ( 0.1954023 0.3384467 -0.0000000), wk = 0.0045662 k( 56) = ( 0.1839080 0.3185381 -0.0000000), wk = 0.0045662 k( 57) = ( 0.1724138 0.2986294 -0.0000000), wk = 0.0045662 k( 58) = ( 0.1609195 0.2787208 -0.0000000), wk = 0.0045662 k( 59) = ( 0.1494253 0.2588122 -0.0000000), wk = 0.0045662 k( 60) = ( 0.1379310 0.2389036 -0.0000000), wk = 0.0045662 k( 61) = ( 0.1264368 0.2189949 -0.0000000), wk = 0.0045662 k( 62) = ( 0.1149425 0.1990863 -0.0000000), wk = 0.0045662 k( 63) = ( 0.1034483 0.1791777 -0.0000000), wk = 0.0045662 k( 64) = ( 0.0919540 0.1592690 -0.0000000), wk = 0.0045662 k( 65) = ( 0.0804598 0.1393604 -0.0000000), wk = 0.0045662 k( 66) = ( 0.0689655 0.1194518 -0.0000000), wk = 0.0045662 k( 67) = ( 0.0574713 0.0995431 -0.0000000), wk = 0.0045662 k( 68) = ( 0.0459770 0.0796345 -0.0000000), wk = 0.0045662 k( 69) = ( 0.0344828 0.0597259 -0.0000000), wk = 0.0045662 k( 70) = ( 0.0229885 0.0398173 -0.0000000), wk = 0.0045662 k( 71) = ( 0.0114942 0.0199086 -0.0000000), wk = 0.0045662 k( 72) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 73) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 74) = ( 0.0000000 0.0000000 0.0224282), wk = 0.0045662 k( 75) = ( 0.0000000 0.0000000 0.0448563), wk = 0.0045662 k( 76) = ( 0.0000000 0.0000000 0.0672845), wk = 0.0045662 k( 77) = ( 0.0000000 0.0000000 0.0897126), wk = 0.0045662 k( 78) = ( 0.0000000 0.0000000 0.1121408), wk = 0.0045662 k( 79) = ( 0.0000000 0.0000000 0.1345689), wk = 0.0045662 k( 80) = ( 0.0000000 0.0000000 0.1569971), wk = 0.0045662 k( 81) = ( 0.0000000 0.0000000 0.1794252), wk = 0.0045662 k( 82) = ( 0.0000000 0.0000000 0.2018534), wk = 0.0045662 k( 83) = ( 0.0000000 0.0000000 0.2242815), wk = 0.0045662 k( 84) = ( 0.0000000 0.0000000 0.2467097), wk = 0.0045662 k( 85) = ( 0.0000000 0.0000000 0.2691379), wk = 0.0045662 k( 86) = ( 0.0000000 0.0000000 0.2915660), wk = 0.0045662 k( 87) = ( 0.0000000 0.0000000 0.3139942), wk = 0.0045662 k( 88) = ( 0.0000000 0.0000000 0.3364223), wk = 0.0045662 k( 89) = ( 0.0000000 0.0000000 0.3588505), wk = 0.0045662 k( 90) = ( 0.0000000 0.0000000 0.3812786), wk = 0.0045662 k( 91) = ( 0.0000000 0.0000000 0.4037068), wk = 0.0045662 k( 92) = ( 0.0000000 0.0000000 0.4261349), wk = 0.0045662 k( 93) = ( 0.0000000 0.0000000 0.4485631), wk = 0.0045662 k( 94) = ( 0.0000000 0.0000000 0.4709912), wk = 0.0045662 k( 95) = ( 0.0000000 0.0000000 0.4934194), wk = 0.0045662 k( 96) = ( 0.0000000 0.0000000 0.5158476), wk = 0.0045662 k( 97) = ( 0.0000000 0.0000000 0.5382757), wk = 0.0045662 k( 98) = ( 0.0000000 0.0000000 0.5382757), wk = 0.0045662 k( 99) = ( 0.0200000 0.0115470 0.5382757), wk = 0.0045662 k( 100) = ( 0.0400000 0.0230940 0.5382757), wk = 0.0045662 k( 101) = ( 0.0600000 0.0346410 0.5382757), wk = 0.0045662 k( 102) = ( 0.0800000 0.0461880 0.5382757), wk = 0.0045662 k( 103) = ( 0.1000000 0.0577350 0.5382757), wk = 0.0045662 k( 104) = ( 0.1200000 0.0692820 0.5382757), wk = 0.0045662 k( 105) = ( 0.1400000 0.0808290 0.5382757), wk = 0.0045662 k( 106) = ( 0.1600000 0.0923760 0.5382757), wk = 0.0045662 k( 107) = ( 0.1800000 0.1039230 0.5382757), wk = 0.0045662 k( 108) = ( 0.2000000 0.1154701 0.5382757), wk = 0.0045662 k( 109) = ( 0.2200000 0.1270171 0.5382757), wk = 0.0045662 k( 110) = ( 0.2400000 0.1385641 0.5382757), wk = 0.0045662 k( 111) = ( 0.2600000 0.1501111 0.5382757), wk = 0.0045662 k( 112) = ( 0.2800000 0.1616581 0.5382757), wk = 0.0045662 k( 113) = ( 0.3000000 0.1732051 0.5382757), wk = 0.0045662 k( 114) = ( 0.3200000 0.1847521 0.5382757), wk = 0.0045662 k( 115) = ( 0.3400000 0.1962991 0.5382757), wk = 0.0045662 k( 116) = ( 0.3600000 0.2078461 0.5382757), wk = 0.0045662 k( 117) = ( 0.3800000 0.2193931 0.5382757), wk = 0.0045662 k( 118) = ( 0.4000000 0.2309401 0.5382757), wk = 0.0045662 k( 119) = ( 0.4200000 0.2424871 0.5382757), wk = 0.0045662 k( 120) = ( 0.4400000 0.2540341 0.5382757), wk = 0.0045662 k( 121) = ( 0.4600000 0.2655811 0.5382757), wk = 0.0045662 k( 122) = ( 0.4800000 0.2771281 0.5382757), wk = 0.0045662 k( 123) = ( 0.5000000 0.2886751 0.5382757), wk = 0.0045662 k( 124) = ( 0.5000000 0.2886751 0.5382757), wk = 0.0045662 k( 125) = ( 0.4888889 0.3079201 0.5382757), wk = 0.0045662 k( 126) = ( 0.4777778 0.3271651 0.5382757), wk = 0.0045662 k( 127) = ( 0.4666667 0.3464102 0.5382757), wk = 0.0045662 k( 128) = ( 0.4555556 0.3656552 0.5382757), wk = 0.0045662 k( 129) = ( 0.4444444 0.3849002 0.5382757), wk = 0.0045662 k( 130) = ( 0.4333333 0.4041452 0.5382757), wk = 0.0045662 k( 131) = ( 0.4222222 0.4233902 0.5382757), wk = 0.0045662 k( 132) = ( 0.4111111 0.4426352 0.5382757), wk = 0.0045662 k( 133) = ( 0.4000000 0.4618802 0.5382757), wk = 0.0045662 k( 134) = ( 0.3888889 0.4811252 0.5382757), wk = 0.0045662 k( 135) = ( 0.3777778 0.5003702 0.5382757), wk = 0.0045662 k( 136) = ( 0.3666667 0.5196152 0.5382757), wk = 0.0045662 k( 137) = ( 0.3555556 0.5388603 0.5382757), wk = 0.0045662 k( 138) = ( 0.3444444 0.5581053 0.5382757), wk = 0.0045662 k( 139) = ( 0.3333333 0.5773503 0.5382757), wk = 0.0045662 k( 140) = ( 0.3333333 0.5773503 0.5382757), wk = 0.0045662 k( 141) = ( 0.3218391 0.5574416 0.5382757), wk = 0.0045662 k( 142) = ( 0.3103448 0.5375330 0.5382757), wk = 0.0045662 k( 143) = ( 0.2988506 0.5176244 0.5382757), wk = 0.0045662 k( 144) = ( 0.2873563 0.4977157 0.5382757), wk = 0.0045662 k( 145) = ( 0.2758621 0.4778071 0.5382757), wk = 0.0045662 k( 146) = ( 0.2643678 0.4578985 0.5382757), wk = 0.0045662 k( 147) = ( 0.2528736 0.4379899 0.5382757), wk = 0.0045662 k( 148) = ( 0.2413793 0.4180812 0.5382757), wk = 0.0045662 k( 149) = ( 0.2298851 0.3981726 0.5382757), wk = 0.0045662 k( 150) = ( 0.2183908 0.3782640 0.5382757), wk = 0.0045662 k( 151) = ( 0.2068966 0.3583553 0.5382757), wk = 0.0045662 k( 152) = ( 0.1954023 0.3384467 0.5382757), wk = 0.0045662 k( 153) = ( 0.1839080 0.3185381 0.5382757), wk = 0.0045662 k( 154) = ( 0.1724138 0.2986294 0.5382757), wk = 0.0045662 k( 155) = ( 0.1609195 0.2787208 0.5382757), wk = 0.0045662 k( 156) = ( 0.1494253 0.2588122 0.5382757), wk = 0.0045662 k( 157) = ( 0.1379310 0.2389036 0.5382757), wk = 0.0045662 k( 158) = ( 0.1264368 0.2189949 0.5382757), wk = 0.0045662 k( 159) = ( 0.1149425 0.1990863 0.5382757), wk = 0.0045662 k( 160) = ( 0.1034483 0.1791777 0.5382757), wk = 0.0045662 k( 161) = ( 0.0919540 0.1592690 0.5382757), wk = 0.0045662 k( 162) = ( 0.0804598 0.1393604 0.5382757), wk = 0.0045662 k( 163) = ( 0.0689655 0.1194518 0.5382757), wk = 0.0045662 k( 164) = ( 0.0574713 0.0995431 0.5382757), wk = 0.0045662 k( 165) = ( 0.0459770 0.0796345 0.5382757), wk = 0.0045662 k( 166) = ( 0.0344828 0.0597259 0.5382757), wk = 0.0045662 k( 167) = ( 0.0229885 0.0398173 0.5382757), wk = 0.0045662 k( 168) = ( 0.0114942 0.0199086 0.5382757), wk = 0.0045662 k( 169) = ( 0.0000000 0.0000000 0.5382757), wk = 0.0045662 k( 170) = ( 0.5000000 0.2886751 0.5382757), wk = 0.0045662 k( 171) = ( 0.5000000 0.2886751 0.5158476), wk = 0.0045662 k( 172) = ( 0.5000000 0.2886751 0.4934194), wk = 0.0045662 k( 173) = ( 0.5000000 0.2886751 0.4709912), wk = 0.0045662 k( 174) = ( 0.5000000 0.2886751 0.4485631), wk = 0.0045662 k( 175) = ( 0.5000000 0.2886751 0.4261349), wk = 0.0045662 k( 176) = ( 0.5000000 0.2886751 0.4037068), wk = 0.0045662 k( 177) = ( 0.5000000 0.2886751 0.3812786), wk = 0.0045662 k( 178) = ( 0.5000000 0.2886751 0.3588505), wk = 0.0045662 k( 179) = ( 0.5000000 0.2886751 0.3364223), wk = 0.0045662 k( 180) = ( 0.5000000 0.2886751 0.3139942), wk = 0.0045662 k( 181) = ( 0.5000000 0.2886751 0.2915660), wk = 0.0045662 k( 182) = ( 0.5000000 0.2886751 0.2691379), wk = 0.0045662 k( 183) = ( 0.5000000 0.2886751 0.2467097), wk = 0.0045662 k( 184) = ( 0.5000000 0.2886751 0.2242815), wk = 0.0045662 k( 185) = ( 0.5000000 0.2886751 0.2018534), wk = 0.0045662 k( 186) = ( 0.5000000 0.2886751 0.1794252), wk = 0.0045662 k( 187) = ( 0.5000000 0.2886751 0.1569971), wk = 0.0045662 k( 188) = ( 0.5000000 0.2886751 0.1345689), wk = 0.0045662 k( 189) = ( 0.5000000 0.2886751 0.1121408), wk = 0.0045662 k( 190) = ( 0.5000000 0.2886751 0.0897126), wk = 0.0045662 k( 191) = ( 0.5000000 0.2886751 0.0672845), wk = 0.0045662 k( 192) = ( 0.5000000 0.2886751 0.0448563), wk = 0.0045662 k( 193) = ( 0.5000000 0.2886751 0.0224282), wk = 0.0045662 k( 194) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0045662 k( 195) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0045662 k( 196) = ( 0.3333333 0.5773503 0.0224282), wk = 0.0045662 k( 197) = ( 0.3333333 0.5773503 0.0448563), wk = 0.0045662 k( 198) = ( 0.3333333 0.5773503 0.0672845), wk = 0.0045662 k( 199) = ( 0.3333333 0.5773503 0.0897126), wk = 0.0045662 k( 200) = ( 0.3333333 0.5773503 0.1121408), wk = 0.0045662 k( 201) = ( 0.3333333 0.5773503 0.1345689), wk = 0.0045662 k( 202) = ( 0.3333333 0.5773503 0.1569971), wk = 0.0045662 k( 203) = ( 0.3333333 0.5773503 0.1794252), wk = 0.0045662 k( 204) = ( 0.3333333 0.5773503 0.2018534), wk = 0.0045662 k( 205) = ( 0.3333333 0.5773503 0.2242815), wk = 0.0045662 k( 206) = ( 0.3333333 0.5773503 0.2467097), wk = 0.0045662 k( 207) = ( 0.3333333 0.5773503 0.2691379), wk = 0.0045662 k( 208) = ( 0.3333333 0.5773503 0.2915660), wk = 0.0045662 k( 209) = ( 0.3333333 0.5773503 0.3139942), wk = 0.0045662 k( 210) = ( 0.3333333 0.5773503 0.3364223), wk = 0.0045662 k( 211) = ( 0.3333333 0.5773503 0.3588505), wk = 0.0045662 k( 212) = ( 0.3333333 0.5773503 0.3812786), wk = 0.0045662 k( 213) = ( 0.3333333 0.5773503 0.4037068), wk = 0.0045662 k( 214) = ( 0.3333333 0.5773503 0.4261349), wk = 0.0045662 k( 215) = ( 0.3333333 0.5773503 0.4485631), wk = 0.0045662 k( 216) = ( 0.3333333 0.5773503 0.4709912), wk = 0.0045662 k( 217) = ( 0.3333333 0.5773503 0.4934194), wk = 0.0045662 k( 218) = ( 0.3333333 0.5773503 0.5158476), wk = 0.0045662 k( 219) = ( 0.3333333 0.5773503 0.5382757), wk = 0.0045662 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 2) = ( 0.0200000 0.0000000 0.0000000), wk = 0.0045662 k( 3) = ( 0.0400000 0.0000000 0.0000000), wk = 0.0045662 k( 4) = ( 0.0600000 0.0000000 0.0000000), wk = 0.0045662 k( 5) = ( 0.0800000 0.0000000 0.0000000), wk = 0.0045662 k( 6) = ( 0.1000000 -0.0000000 0.0000000), wk = 0.0045662 k( 7) = ( 0.1200000 0.0000000 0.0000000), wk = 0.0045662 k( 8) = ( 0.1400000 -0.0000000 -0.0000000), wk = 0.0045662 k( 9) = ( 0.1600000 0.0000000 0.0000000), wk = 0.0045662 k( 10) = ( 0.1800000 -0.0000000 0.0000000), wk = 0.0045662 k( 11) = ( 0.2000000 -0.0000000 0.0000000), wk = 0.0045662 k( 12) = ( 0.2200000 -0.0000000 0.0000000), wk = 0.0045662 k( 13) = ( 0.2400000 0.0000000 0.0000000), wk = 0.0045662 k( 14) = ( 0.2600000 -0.0000000 -0.0000000), wk = 0.0045662 k( 15) = ( 0.2800000 -0.0000000 -0.0000000), wk = 0.0045662 k( 16) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0045662 k( 17) = ( 0.3200000 0.0000000 0.0000000), wk = 0.0045662 k( 18) = ( 0.3400000 -0.0000000 0.0000000), wk = 0.0045662 k( 19) = ( 0.3600000 -0.0000000 0.0000000), wk = 0.0045662 k( 20) = ( 0.3800000 0.0000000 0.0000000), wk = 0.0045662 k( 21) = ( 0.4000000 -0.0000000 0.0000000), wk = 0.0045662 k( 22) = ( 0.4200000 0.0000000 -0.0000000), wk = 0.0045662 k( 23) = ( 0.4400000 -0.0000000 0.0000000), wk = 0.0045662 k( 24) = ( 0.4600000 0.0000000 0.0000000), wk = 0.0045662 k( 25) = ( 0.4800000 0.0000000 0.0000000), wk = 0.0045662 k( 26) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0045662 k( 27) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0045662 k( 28) = ( 0.4888889 0.0222222 0.0000000), wk = 0.0045662 k( 29) = ( 0.4777778 0.0444444 0.0000000), wk = 0.0045662 k( 30) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0045662 k( 31) = ( 0.4555556 0.0888889 0.0000000), wk = 0.0045662 k( 32) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0045662 k( 33) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0045662 k( 34) = ( 0.4222222 0.1555556 0.0000000), wk = 0.0045662 k( 35) = ( 0.4111111 0.1777778 0.0000000), wk = 0.0045662 k( 36) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0045662 k( 37) = ( 0.3888889 0.2222222 0.0000000), wk = 0.0045662 k( 38) = ( 0.3777778 0.2444444 -0.0000000), wk = 0.0045662 k( 39) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0045662 k( 40) = ( 0.3555556 0.2888889 0.0000000), wk = 0.0045662 k( 41) = ( 0.3444444 0.3111111 0.0000000), wk = 0.0045662 k( 42) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0045662 k( 43) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0045662 k( 44) = ( 0.3218391 0.3218391 0.0000000), wk = 0.0045662 k( 45) = ( 0.3103448 0.3103448 0.0000000), wk = 0.0045662 k( 46) = ( 0.2988506 0.2988506 0.0000000), wk = 0.0045662 k( 47) = ( 0.2873563 0.2873563 0.0000000), wk = 0.0045662 k( 48) = ( 0.2758621 0.2758621 0.0000000), wk = 0.0045662 k( 49) = ( 0.2643678 0.2643678 0.0000000), wk = 0.0045662 k( 50) = ( 0.2528736 0.2528736 0.0000000), wk = 0.0045662 k( 51) = ( 0.2413793 0.2413793 0.0000000), wk = 0.0045662 k( 52) = ( 0.2298851 0.2298851 0.0000000), wk = 0.0045662 k( 53) = ( 0.2183908 0.2183908 0.0000000), wk = 0.0045662 k( 54) = ( 0.2068966 0.2068966 0.0000000), wk = 0.0045662 k( 55) = ( 0.1954023 0.1954023 0.0000000), wk = 0.0045662 k( 56) = ( 0.1839080 0.1839080 -0.0000000), wk = 0.0045662 k( 57) = ( 0.1724138 0.1724138 0.0000000), wk = 0.0045662 k( 58) = ( 0.1609195 0.1609195 0.0000000), wk = 0.0045662 k( 59) = ( 0.1494253 0.1494253 0.0000000), wk = 0.0045662 k( 60) = ( 0.1379310 0.1379310 0.0000000), wk = 0.0045662 k( 61) = ( 0.1264368 0.1264368 0.0000000), wk = 0.0045662 k( 62) = ( 0.1149425 0.1149425 0.0000000), wk = 0.0045662 k( 63) = ( 0.1034483 0.1034483 -0.0000000), wk = 0.0045662 k( 64) = ( 0.0919540 0.0919540 0.0000000), wk = 0.0045662 k( 65) = ( 0.0804598 0.0804598 0.0000000), wk = 0.0045662 k( 66) = ( 0.0689655 0.0689655 -0.0000000), wk = 0.0045662 k( 67) = ( 0.0574713 0.0574713 0.0000000), wk = 0.0045662 k( 68) = ( 0.0459770 0.0459770 0.0000000), wk = 0.0045662 k( 69) = ( 0.0344828 0.0344828 -0.0000000), wk = 0.0045662 k( 70) = ( 0.0229885 0.0229885 0.0000000), wk = 0.0045662 k( 71) = ( 0.0114942 0.0114943 0.0000000), wk = 0.0045662 k( 72) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 73) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0045662 k( 74) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0045662 k( 75) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0045662 k( 76) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0045662 k( 77) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0045662 k( 78) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0045662 k( 79) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0045662 k( 80) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0045662 k( 81) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0045662 k( 82) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0045662 k( 83) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0045662 k( 84) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0045662 k( 85) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0045662 k( 86) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0045662 k( 87) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0045662 k( 88) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0045662 k( 89) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0045662 k( 90) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0045662 k( 91) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0045662 k( 92) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0045662 k( 93) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0045662 k( 94) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0045662 k( 95) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0045662 k( 96) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0045662 k( 97) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0045662 k( 98) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0045662 k( 99) = ( 0.0200000 0.0000000 0.5000000), wk = 0.0045662 k( 100) = ( 0.0400000 0.0000000 0.5000000), wk = 0.0045662 k( 101) = ( 0.0600000 0.0000000 0.5000000), wk = 0.0045662 k( 102) = ( 0.0800000 0.0000000 0.5000000), wk = 0.0045662 k( 103) = ( 0.1000000 -0.0000000 0.5000000), wk = 0.0045662 k( 104) = ( 0.1200000 0.0000000 0.5000000), wk = 0.0045662 k( 105) = ( 0.1400000 -0.0000000 0.5000000), wk = 0.0045662 k( 106) = ( 0.1600000 0.0000000 0.5000000), wk = 0.0045662 k( 107) = ( 0.1800000 -0.0000000 0.5000000), wk = 0.0045662 k( 108) = ( 0.2000000 -0.0000000 0.5000000), wk = 0.0045662 k( 109) = ( 0.2200000 -0.0000000 0.5000000), wk = 0.0045662 k( 110) = ( 0.2400000 0.0000000 0.5000000), wk = 0.0045662 k( 111) = ( 0.2600000 -0.0000000 0.5000000), wk = 0.0045662 k( 112) = ( 0.2800000 -0.0000000 0.5000000), wk = 0.0045662 k( 113) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0045662 k( 114) = ( 0.3200000 0.0000000 0.5000000), wk = 0.0045662 k( 115) = ( 0.3400000 -0.0000000 0.5000000), wk = 0.0045662 k( 116) = ( 0.3600000 -0.0000000 0.5000000), wk = 0.0045662 k( 117) = ( 0.3800000 0.0000000 0.5000000), wk = 0.0045662 k( 118) = ( 0.4000000 -0.0000000 0.5000000), wk = 0.0045662 k( 119) = ( 0.4200000 0.0000000 0.5000000), wk = 0.0045662 k( 120) = ( 0.4400000 -0.0000000 0.5000000), wk = 0.0045662 k( 121) = ( 0.4600000 0.0000000 0.5000000), wk = 0.0045662 k( 122) = ( 0.4800000 0.0000000 0.5000000), wk = 0.0045662 k( 123) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0045662 k( 124) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0045662 k( 125) = ( 0.4888889 0.0222222 0.5000000), wk = 0.0045662 k( 126) = ( 0.4777778 0.0444444 0.5000000), wk = 0.0045662 k( 127) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0045662 k( 128) = ( 0.4555556 0.0888889 0.5000000), wk = 0.0045662 k( 129) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0045662 k( 130) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0045662 k( 131) = ( 0.4222222 0.1555556 0.5000000), wk = 0.0045662 k( 132) = ( 0.4111111 0.1777778 0.5000000), wk = 0.0045662 k( 133) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0045662 k( 134) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0045662 k( 135) = ( 0.3777778 0.2444444 0.5000000), wk = 0.0045662 k( 136) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0045662 k( 137) = ( 0.3555556 0.2888889 0.5000000), wk = 0.0045662 k( 138) = ( 0.3444444 0.3111111 0.5000000), wk = 0.0045662 k( 139) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0045662 k( 140) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0045662 k( 141) = ( 0.3218391 0.3218391 0.5000000), wk = 0.0045662 k( 142) = ( 0.3103448 0.3103448 0.5000000), wk = 0.0045662 k( 143) = ( 0.2988506 0.2988506 0.5000000), wk = 0.0045662 k( 144) = ( 0.2873563 0.2873563 0.5000000), wk = 0.0045662 k( 145) = ( 0.2758621 0.2758621 0.5000000), wk = 0.0045662 k( 146) = ( 0.2643678 0.2643678 0.5000000), wk = 0.0045662 k( 147) = ( 0.2528736 0.2528736 0.5000000), wk = 0.0045662 k( 148) = ( 0.2413793 0.2413793 0.5000000), wk = 0.0045662 k( 149) = ( 0.2298851 0.2298851 0.5000000), wk = 0.0045662 k( 150) = ( 0.2183908 0.2183908 0.5000000), wk = 0.0045662 k( 151) = ( 0.2068966 0.2068966 0.5000000), wk = 0.0045662 k( 152) = ( 0.1954023 0.1954023 0.5000000), wk = 0.0045662 k( 153) = ( 0.1839080 0.1839080 0.5000000), wk = 0.0045662 k( 154) = ( 0.1724138 0.1724138 0.5000000), wk = 0.0045662 k( 155) = ( 0.1609195 0.1609195 0.5000000), wk = 0.0045662 k( 156) = ( 0.1494253 0.1494253 0.5000000), wk = 0.0045662 k( 157) = ( 0.1379310 0.1379310 0.5000000), wk = 0.0045662 k( 158) = ( 0.1264368 0.1264368 0.5000000), wk = 0.0045662 k( 159) = ( 0.1149425 0.1149425 0.5000000), wk = 0.0045662 k( 160) = ( 0.1034483 0.1034483 0.5000000), wk = 0.0045662 k( 161) = ( 0.0919540 0.0919540 0.5000000), wk = 0.0045662 k( 162) = ( 0.0804598 0.0804598 0.5000000), wk = 0.0045662 k( 163) = ( 0.0689655 0.0689655 0.5000000), wk = 0.0045662 k( 164) = ( 0.0574713 0.0574713 0.5000000), wk = 0.0045662 k( 165) = ( 0.0459770 0.0459770 0.5000000), wk = 0.0045662 k( 166) = ( 0.0344828 0.0344828 0.5000000), wk = 0.0045662 k( 167) = ( 0.0229885 0.0229885 0.5000000), wk = 0.0045662 k( 168) = ( 0.0114942 0.0114943 0.5000000), wk = 0.0045662 k( 169) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0045662 k( 170) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0045662 k( 171) = ( 0.5000000 -0.0000000 0.4791667), wk = 0.0045662 k( 172) = ( 0.5000000 -0.0000000 0.4583333), wk = 0.0045662 k( 173) = ( 0.5000000 -0.0000000 0.4375000), wk = 0.0045662 k( 174) = ( 0.5000000 -0.0000000 0.4166667), wk = 0.0045662 k( 175) = ( 0.5000000 -0.0000000 0.3958333), wk = 0.0045662 k( 176) = ( 0.5000000 -0.0000000 0.3750000), wk = 0.0045662 k( 177) = ( 0.5000000 -0.0000000 0.3541667), wk = 0.0045662 k( 178) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0045662 k( 179) = ( 0.5000000 -0.0000000 0.3125000), wk = 0.0045662 k( 180) = ( 0.5000000 -0.0000000 0.2916667), wk = 0.0045662 k( 181) = ( 0.5000000 -0.0000000 0.2708333), wk = 0.0045662 k( 182) = ( 0.5000000 -0.0000000 0.2500000), wk = 0.0045662 k( 183) = ( 0.5000000 -0.0000000 0.2291667), wk = 0.0045662 k( 184) = ( 0.5000000 -0.0000000 0.2083333), wk = 0.0045662 k( 185) = ( 0.5000000 -0.0000000 0.1875000), wk = 0.0045662 k( 186) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0045662 k( 187) = ( 0.5000000 -0.0000000 0.1458333), wk = 0.0045662 k( 188) = ( 0.5000000 -0.0000000 0.1250000), wk = 0.0045662 k( 189) = ( 0.5000000 -0.0000000 0.1041667), wk = 0.0045662 k( 190) = ( 0.5000000 -0.0000000 0.0833333), wk = 0.0045662 k( 191) = ( 0.5000000 -0.0000000 0.0625000), wk = 0.0045662 k( 192) = ( 0.5000000 -0.0000000 0.0416667), wk = 0.0045662 k( 193) = ( 0.5000000 -0.0000000 0.0208333), wk = 0.0045662 k( 194) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0045662 k( 195) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0045662 k( 196) = ( 0.3333333 0.3333333 0.0208333), wk = 0.0045662 k( 197) = ( 0.3333333 0.3333333 0.0416667), wk = 0.0045662 k( 198) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0045662 k( 199) = ( 0.3333333 0.3333333 0.0833333), wk = 0.0045662 k( 200) = ( 0.3333333 0.3333333 0.1041667), wk = 0.0045662 k( 201) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0045662 k( 202) = ( 0.3333333 0.3333333 0.1458333), wk = 0.0045662 k( 203) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0045662 k( 204) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0045662 k( 205) = ( 0.3333333 0.3333333 0.2083333), wk = 0.0045662 k( 206) = ( 0.3333333 0.3333333 0.2291667), wk = 0.0045662 k( 207) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0045662 k( 208) = ( 0.3333333 0.3333333 0.2708333), wk = 0.0045662 k( 209) = ( 0.3333333 0.3333333 0.2916667), wk = 0.0045662 k( 210) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0045662 k( 211) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0045662 k( 212) = ( 0.3333333 0.3333333 0.3541667), wk = 0.0045662 k( 213) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0045662 k( 214) = ( 0.3333333 0.3333333 0.3958333), wk = 0.0045662 k( 215) = ( 0.3333333 0.3333333 0.4166667), wk = 0.0045662 k( 216) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0045662 k( 217) = ( 0.3333333 0.3333333 0.4583333), wk = 0.0045662 k( 218) = ( 0.3333333 0.3333333 0.4791667), wk = 0.0045662 k( 219) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0045662 Dense grid: 295691 G-vectors FFT dimensions: ( 90, 90, 90) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 2.00 Mb ( 1564, 84) NL pseudopotentials 2.29 Mb ( 782, 192) Each V/rho on FFT grid 0.25 Mb ( 16200) Each G-vector array 0.05 Mb ( 6160) G-vector shells 0.02 Mb ( 2905) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 8.02 Mb ( 1564, 336) Each subspace H/S matrix 1.72 Mb ( 336, 336) Each matrix 0.49 Mb ( 192, 2, 84) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./LiScI3.save/charge-density.dat Starting wfc are 108 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 48.2 secs Computing kpt #: 2 total cpu time spent up to now is 64.1 secs Computing kpt #: 3 total cpu time spent up to now is 78.8 secs Computing kpt #: 4 total cpu time spent up to now is 94.9 secs Computing kpt #: 5 total cpu time spent up to now is 110.7 secs Computing kpt #: 6 total cpu time spent up to now is 124.2 secs Computing kpt #: 7 total cpu time spent up to now is 137.5 secs Computing kpt #: 8 total cpu time spent up to now is 151.5 secs Computing kpt #: 9 total cpu time spent up to now is 166.1 secs Computing kpt #: 10 total cpu time spent up to now is 181.1 secs Computing kpt #: 11 total cpu time spent up to now is 196.0 secs Computing kpt #: 12 total cpu time spent up to now is 211.2 secs Computing kpt #: 13 total cpu time spent up to now is 226.5 secs Computing kpt #: 14 total cpu time spent up to now is 244.1 secs Computing kpt #: 15 total cpu time spent up to now is 260.9 secs Computing kpt #: 16 total cpu time spent up to now is 278.2 secs Computing kpt #: 17 total cpu time spent up to now is 295.1 secs Computing kpt #: 18 total cpu time spent up to now is 312.4 secs Computing kpt #: 19 total cpu time spent up to now is 329.3 secs Computing kpt #: 20 total cpu time spent up to now is 350.0 secs Computing kpt #: 21 total cpu time spent up to now is 367.3 secs Computing kpt #: 22 total cpu time spent up to now is 384.3 secs Computing kpt #: 23 total cpu time spent up to now is 401.8 secs Computing kpt #: 24 total cpu time spent up to now is 419.5 secs Computing kpt #: 25 total cpu time spent up to now is 436.8 secs Computing kpt #: 26 total cpu time spent up to now is 454.7 secs Computing kpt #: 27 total cpu time spent up to now is 471.3 secs Computing kpt #: 28 total cpu time spent up to now is 488.5 secs Computing kpt #: 29 total cpu time spent up to now is 506.3 secs Computing kpt #: 30 total cpu time spent up to now is 523.3 secs Computing kpt #: 31 total cpu time spent up to now is 543.1 secs Computing kpt #: 32 total cpu time spent up to now is 562.1 secs Computing kpt #: 33 total cpu time spent up to now is 579.3 secs Computing kpt #: 34 total cpu time spent up to now is 598.3 secs Computing kpt #: 35 total cpu time spent up to now is 622.6 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 647.6 secs Computing kpt #: 37 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 672.5 secs Computing kpt #: 38 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 697.2 secs Computing kpt #: 39 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 721.5 secs Computing kpt #: 40 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 746.0 secs Computing kpt #: 41 total cpu time spent up to now is 762.4 secs Computing kpt #: 42 total cpu time spent up to now is 778.9 secs Computing kpt #: 43 total cpu time spent up to now is 801.5 secs Computing kpt #: 44 total cpu time spent up to now is 822.7 secs Computing kpt #: 45 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 849.3 secs Computing kpt #: 46 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 874.1 secs Computing kpt #: 47 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 899.0 secs Computing kpt #: 48 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 924.0 secs Computing kpt #: 49 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 950.1 secs Computing kpt #: 50 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 976.9 secs Computing kpt #: 51 total cpu time spent up to now is 998.8 secs Computing kpt #: 52 total cpu time spent up to now is 1022.9 secs Computing kpt #: 53 total cpu time spent up to now is 1046.3 secs Computing kpt #: 54 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 1071.3 secs Computing kpt #: 55 total cpu time spent up to now is 1088.8 secs Computing kpt #: 56 total cpu time spent up to now is 1107.7 secs Computing kpt #: 57 total cpu time spent up to now is 1130.0 secs Computing kpt #: 58 total cpu time spent up to now is 1147.1 secs Computing kpt #: 59 total cpu time spent up to now is 1164.2 secs Computing kpt #: 60 total cpu time spent up to now is 1180.8 secs Computing kpt #: 61 total cpu time spent up to now is 1196.1 secs Computing kpt #: 62 total cpu time spent up to now is 1211.1 secs Computing kpt #: 63 total cpu time spent up to now is 1225.9 secs Computing kpt #: 64 total cpu time spent up to now is 1241.8 secs Computing kpt #: 65 total cpu time spent up to now is 1256.6 secs Computing kpt #: 66 total cpu time spent up to now is 1271.0 secs Computing kpt #: 67 total cpu time spent up to now is 1285.7 secs Computing kpt #: 68 total cpu time spent up to now is 1299.0 secs Computing kpt #: 69 total cpu time spent up to now is 1312.2 secs Computing kpt #: 70 total cpu time spent up to now is 1325.5 secs Computing kpt #: 71 total cpu time spent up to now is 1339.3 secs Computing kpt #: 72 total cpu time spent up to now is 1352.8 secs Computing kpt #: 73 total cpu time spent up to now is 1366.4 secs Computing kpt #: 74 total cpu time spent up to now is 1380.0 secs Computing kpt #: 75 total cpu time spent up to now is 1393.3 secs Computing kpt #: 76 total cpu time spent up to now is 1406.4 secs Computing kpt #: 77 total cpu time spent up to now is 1419.9 secs Computing kpt #: 78 total cpu time spent up to now is 1435.6 secs Computing kpt #: 79 total cpu time spent up to now is 1448.7 secs Computing kpt #: 80 total cpu time spent up to now is 1462.0 secs Computing kpt #: 81 total cpu time spent up to now is 1475.3 secs Computing kpt #: 82 total cpu time spent up to now is 1488.4 secs Computing kpt #: 83 total cpu time spent up to now is 1502.0 secs Computing kpt #: 84 total cpu time spent up to now is 1515.7 secs Computing kpt #: 85 total cpu time spent up to now is 1529.3 secs Computing kpt #: 86 total cpu time spent up to now is 1543.4 secs Computing kpt #: 87 total cpu time spent up to now is 1557.9 secs Computing kpt #: 88 total cpu time spent up to now is 1573.3 secs Computing kpt #: 89 total cpu time spent up to now is 1588.8 secs Computing kpt #: 90 total cpu time spent up to now is 1604.1 secs Computing kpt #: 91 total cpu time spent up to now is 1619.5 secs Computing kpt #: 92 total cpu time spent up to now is 1635.0 secs Computing kpt #: 93 total cpu time spent up to now is 1651.1 secs Computing kpt #: 94 total cpu time spent up to now is 1669.4 secs Computing kpt #: 95 total cpu time spent up to now is 1688.2 secs Computing kpt #: 96 total cpu time spent up to now is 1712.6 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 1739.8 secs Computing kpt #: 98 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1764.7 secs Computing kpt #: 99 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1790.9 secs Computing kpt #: 100 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1816.6 secs Computing kpt #: 101 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 1842.4 secs Computing kpt #: 102 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 1867.5 secs Computing kpt #: 103 total cpu time spent up to now is 1889.0 secs Computing kpt #: 104 total cpu time spent up to now is 1907.9 secs Computing kpt #: 105 total cpu time spent up to now is 1924.4 secs Computing kpt #: 106 total cpu time spent up to now is 1940.7 secs Computing kpt #: 107 total cpu time spent up to now is 1957.3 secs Computing kpt #: 108 total cpu time spent up to now is 1973.6 secs Computing kpt #: 109 total cpu time spent up to now is 1990.2 secs Computing kpt #: 110 total cpu time spent up to now is 2006.8 secs Computing kpt #: 111 total cpu time spent up to now is 2023.2 secs Computing kpt #: 112 total cpu time spent up to now is 2044.2 secs Computing kpt #: 113 total cpu time spent up to now is 2060.9 secs Computing kpt #: 114 total cpu time spent up to now is 2077.6 secs Computing kpt #: 115 total cpu time spent up to now is 2094.4 secs Computing kpt #: 116 total cpu time spent up to now is 2111.0 secs Computing kpt #: 117 total cpu time spent up to now is 2126.7 secs Computing kpt #: 118 total cpu time spent up to now is 2143.3 secs Computing kpt #: 119 total cpu time spent up to now is 2160.2 secs Computing kpt #: 120 total cpu time spent up to now is 2177.5 secs Computing kpt #: 121 total cpu time spent up to now is 2194.7 secs Computing kpt #: 122 total cpu time spent up to now is 2211.3 secs Computing kpt #: 123 total cpu time spent up to now is 2228.0 secs Computing kpt #: 124 total cpu time spent up to now is 2245.0 secs Computing kpt #: 125 total cpu time spent up to now is 2262.2 secs Computing kpt #: 126 total cpu time spent up to now is 2279.2 secs Computing kpt #: 127 total cpu time spent up to now is 2296.2 secs Computing kpt #: 128 total cpu time spent up to now is 2313.2 secs Computing kpt #: 129 total cpu time spent up to now is 2330.3 secs Computing kpt #: 130 total cpu time spent up to now is 2346.8 secs Computing kpt #: 131 total cpu time spent up to now is 2362.6 secs Computing kpt #: 132 total cpu time spent up to now is 2379.1 secs Computing kpt #: 133 total cpu time spent up to now is 2395.8 secs Computing kpt #: 134 total cpu time spent up to now is 2412.7 secs Computing kpt #: 135 total cpu time spent up to now is 2430.6 secs Computing kpt #: 136 total cpu time spent up to now is 2448.1 secs Computing kpt #: 137 total cpu time spent up to now is 2466.7 secs Computing kpt #: 138 total cpu time spent up to now is 2484.4 secs Computing kpt #: 139 total cpu time spent up to now is 2501.6 secs Computing kpt #: 140 total cpu time spent up to now is 2518.8 secs Computing kpt #: 141 total cpu time spent up to now is 2535.7 secs Computing kpt #: 142 total cpu time spent up to now is 2552.7 secs Computing kpt #: 143 total cpu time spent up to now is 2569.4 secs Computing kpt #: 144 total cpu time spent up to now is 2586.1 secs Computing kpt #: 145 total cpu time spent up to now is 2602.6 secs Computing kpt #: 146 total cpu time spent up to now is 2618.6 secs Computing kpt #: 147 total cpu time spent up to now is 2637.1 secs Computing kpt #: 148 total cpu time spent up to now is 2652.4 secs Computing kpt #: 149 total cpu time spent up to now is 2668.3 secs Computing kpt #: 150 total cpu time spent up to now is 2684.3 secs Computing kpt #: 151 total cpu time spent up to now is 2700.3 secs Computing kpt #: 152 total cpu time spent up to now is 2716.3 secs Computing kpt #: 153 total cpu time spent up to now is 2731.8 secs Computing kpt #: 154 total cpu time spent up to now is 2747.6 secs Computing kpt #: 155 total cpu time spent up to now is 2763.0 secs Computing kpt #: 156 total cpu time spent up to now is 2779.1 secs Computing kpt #: 157 total cpu time spent up to now is 2794.5 secs Computing kpt #: 158 total cpu time spent up to now is 2810.1 secs Computing kpt #: 159 total cpu time spent up to now is 2825.5 secs Computing kpt #: 160 total cpu time spent up to now is 2840.8 secs Computing kpt #: 161 total cpu time spent up to now is 2856.7 secs Computing kpt #: 162 total cpu time spent up to now is 2874.8 secs Computing kpt #: 163 total cpu time spent up to now is 2893.3 secs Computing kpt #: 164 total cpu time spent up to now is 2914.9 secs Computing kpt #: 165 total cpu time spent up to now is 2941.5 secs Computing kpt #: 166 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 2966.5 secs Computing kpt #: 167 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 2991.5 secs Computing kpt #: 168 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 3016.7 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3041.3 secs Computing kpt #: 170 total cpu time spent up to now is 3058.0 secs Computing kpt #: 171 total cpu time spent up to now is 3076.7 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 3100.7 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3125.8 secs Computing kpt #: 174 total cpu time spent up to now is 3143.2 secs Computing kpt #: 175 total cpu time spent up to now is 3159.9 secs Computing kpt #: 176 total cpu time spent up to now is 3175.8 secs Computing kpt #: 177 total cpu time spent up to now is 3191.9 secs Computing kpt #: 178 total cpu time spent up to now is 3207.2 secs Computing kpt #: 179 total cpu time spent up to now is 3222.6 secs Computing kpt #: 180 total cpu time spent up to now is 3238.7 secs Computing kpt #: 181 total cpu time spent up to now is 3254.6 secs Computing kpt #: 182 total cpu time spent up to now is 3270.7 secs Computing kpt #: 183 total cpu time spent up to now is 3287.1 secs Computing kpt #: 184 total cpu time spent up to now is 3303.7 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 3328.7 secs Computing kpt #: 186 total cpu time spent up to now is 3345.9 secs Computing kpt #: 187 total cpu time spent up to now is 3363.5 secs Computing kpt #: 188 total cpu time spent up to now is 3380.8 secs Computing kpt #: 189 total cpu time spent up to now is 3402.4 secs Computing kpt #: 190 total cpu time spent up to now is 3419.2 secs Computing kpt #: 191 total cpu time spent up to now is 3436.0 secs Computing kpt #: 192 total cpu time spent up to now is 3452.8 secs Computing kpt #: 193 total cpu time spent up to now is 3469.9 secs Computing kpt #: 194 total cpu time spent up to now is 3486.4 secs Computing kpt #: 195 total cpu time spent up to now is 3502.3 secs Computing kpt #: 196 total cpu time spent up to now is 3522.2 secs Computing kpt #: 197 total cpu time spent up to now is 3543.3 secs Computing kpt #: 198 total cpu time spent up to now is 3559.6 secs Computing kpt #: 199 total cpu time spent up to now is 3575.6 secs Computing kpt #: 200 total cpu time spent up to now is 3590.9 secs Computing kpt #: 201 total cpu time spent up to now is 3606.4 secs Computing kpt #: 202 total cpu time spent up to now is 3621.9 secs Computing kpt #: 203 total cpu time spent up to now is 3635.9 secs Computing kpt #: 204 total cpu time spent up to now is 3649.9 secs Computing kpt #: 205 total cpu time spent up to now is 3664.6 secs Computing kpt #: 206 total cpu time spent up to now is 3678.5 secs Computing kpt #: 207 total cpu time spent up to now is 3692.3 secs Computing kpt #: 208 total cpu time spent up to now is 3706.0 secs Computing kpt #: 209 total cpu time spent up to now is 3720.2 secs Computing kpt #: 210 total cpu time spent up to now is 3734.6 secs Computing kpt #: 211 total cpu time spent up to now is 3750.0 secs Computing kpt #: 212 total cpu time spent up to now is 3764.7 secs Computing kpt #: 213 total cpu time spent up to now is 3780.2 secs Computing kpt #: 214 total cpu time spent up to now is 3795.6 secs Computing kpt #: 215 total cpu time spent up to now is 3811.3 secs Computing kpt #: 216 total cpu time spent up to now is 3828.4 secs Computing kpt #: 217 total cpu time spent up to now is 3848.9 secs Computing kpt #: 218 total cpu time spent up to now is 3865.8 secs Computing kpt #: 219 total cpu time spent up to now is 3887.3 secs ethr = 1.43E-11, avg # of iterations = 56.8 total cpu time spent up to now is 3887.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 37097 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.2022 -8.2022 -7.5074 -7.5074 -7.4630 -7.4630 -7.4623 -7.4623 -7.3997 -7.3997 -7.3979 -7.3979 0.3095 0.3095 0.3276 0.3276 0.9125 0.9125 1.2172 1.2172 1.3422 1.3422 1.4839 1.4839 1.9089 1.9089 2.0581 2.0581 2.0653 2.0653 2.1216 2.1216 2.2982 2.2982 2.4668 2.4668 2.6711 2.6711 2.8333 2.8333 2.9460 2.9460 3.2365 3.2365 4.0882 4.0882 4.1253 4.1253 6.2324 6.2324 7.3620 7.3620 7.4130 7.4130 7.6497 7.6497 7.6532 7.6532 7.8180 7.8180 7.8222 7.8222 7.9834 7.9834 k = 0.0200 0.0115-0.0000 ( 37077 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.2016 -8.2016 -7.5072 -7.5072 -7.4637 -7.4637 -7.4630 -7.4630 -7.3995 -7.3995 -7.3977 -7.3977 0.3104 0.3104 0.3281 0.3281 0.9126 0.9126 1.2141 1.2141 1.3410 1.3410 1.4877 1.4877 1.9114 1.9114 2.0565 2.0565 2.0664 2.0664 2.1201 2.1201 2.2997 2.2997 2.4682 2.4682 2.6699 2.6699 2.8361 2.8361 2.9440 2.9440 3.2350 3.2350 4.0843 4.0843 4.1234 4.1234 6.2323 6.2323 7.3611 7.3611 7.4121 7.4121 7.6495 7.6495 7.6530 7.6530 7.8191 7.8191 7.8236 7.8236 7.9856 7.9856 k = 0.0400 0.0231-0.0000 ( 37087 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.1998 -8.1998 -7.5068 -7.5068 -7.4662 -7.4662 -7.4645 -7.4645 -7.3990 -7.3990 -7.3970 -7.3970 0.3131 0.3131 0.3298 0.3298 0.9130 0.9130 1.2055 1.2055 1.3375 1.3375 1.4987 1.4987 1.9187 1.9187 2.0526 2.0526 2.0692 2.0692 2.1158 2.1158 2.3040 2.3040 2.4724 2.4724 2.6663 2.6663 2.8443 2.8443 2.9382 2.9382 3.2307 3.2307 4.0723 4.0723 4.1182 4.1182 6.2320 6.2320 7.3583 7.3583 7.4093 7.4093 7.6488 7.6488 7.6524 7.6524 7.8216 7.8216 7.8287 7.8287 7.9924 7.9924 k = 0.0600 0.0346-0.0000 ( 37093 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.1967 -8.1967 -7.5060 -7.5060 -7.4704 -7.4704 -7.4668 -7.4668 -7.3987 -7.3987 -7.3956 -7.3956 0.3177 0.3177 0.3325 0.3325 0.9136 0.9136 1.1927 1.1927 1.3316 1.3316 1.5155 1.5155 1.9297 1.9297 2.0469 2.0469 2.0733 2.0733 2.1098 2.1098 2.3108 2.3108 2.4793 2.4793 2.6603 2.6603 2.8568 2.8568 2.9292 2.9292 3.2236 3.2236 4.0516 4.0516 4.1109 4.1109 6.2314 6.2314 7.3533 7.3533 7.4049 7.4049 7.6477 7.6477 7.6513 7.6513 7.8243 7.8243 7.8381 7.8381 8.0038 8.0038 k = 0.0800 0.0462-0.0000 ( 37093 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.1925 -8.1925 -7.5050 -7.5050 -7.4762 -7.4762 -7.4698 -7.4698 -7.3985 -7.3985 -7.3938 -7.3938 0.3241 0.3241 0.3364 0.3364 0.9146 0.9146 1.1774 1.1774 1.3237 1.3237 1.5368 1.5368 1.9422 1.9422 2.0401 2.0401 2.0784 2.0784 2.1042 2.1042 2.3198 2.3198 2.4887 2.4887 2.6518 2.6518 2.8698 2.8698 2.9205 2.9205 3.2140 3.2140 4.0226 4.0226 4.1018 4.1018 6.2303 6.2303 7.3456 7.3456 7.3992 7.3992 7.6461 7.6461 7.6499 7.6499 7.8271 7.8271 7.8514 7.8514 8.0202 8.0202 k = 0.1000 0.0577-0.0000 ( 37087 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.1872 -8.1872 -7.5039 -7.5039 -7.4835 -7.4835 -7.4731 -7.4731 -7.3984 -7.3984 -7.3916 -7.3916 0.3323 0.3323 0.3413 0.3413 0.9159 0.9159 1.1609 1.1609 1.3142 1.3142 1.5611 1.5611 1.9522 1.9522 2.0340 2.0340 2.0828 2.0828 2.1033 2.1033 2.3306 2.3306 2.5003 2.5003 2.6410 2.6410 2.8703 2.8703 2.9244 2.9244 3.2025 3.2025 3.9864 3.9864 4.0911 4.0911 6.2285 6.2285 7.3349 7.3349 7.3928 7.3928 7.6442 7.6442 7.6482 7.6482 7.8299 7.8299 7.8685 7.8685 8.0417 8.0417 k = 0.1200 0.0693-0.0000 ( 37099 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.1806 -8.1806 -7.5026 -7.5026 -7.4921 -7.4921 -7.4766 -7.4766 -7.3985 -7.3985 -7.3894 -7.3894 0.3420 0.3420 0.3473 0.3473 0.9178 0.9178 1.1441 1.1441 1.3034 1.3034 1.5873 1.5873 1.9543 1.9543 2.0309 2.0309 2.0842 2.0842 2.1127 2.1127 2.3426 2.3426 2.5136 2.5136 2.6281 2.6281 2.8527 2.8527 2.9459 2.9459 3.1895 3.1895 3.9443 3.9443 4.0787 4.0787 6.2260 6.2260 7.3206 7.3206 7.3859 7.3859 7.6418 7.6418 7.6462 7.6462 7.8324 7.8324 7.8891 7.8891 8.0683 8.0683 k = 0.1400 0.0808-0.0000 ( 37099 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.1730 -8.1730 -7.5021 -7.5021 -7.5015 -7.5015 -7.4799 -7.4799 -7.3988 -7.3988 -7.3871 -7.3871 0.3521 0.3521 0.3555 0.3555 0.9204 0.9204 1.1278 1.1278 1.2919 1.2919 1.6144 1.6144 1.9460 1.9460 2.0297 2.0297 2.0879 2.0879 2.1311 2.1311 2.3556 2.3556 2.5275 2.5275 2.6141 2.6141 2.8258 2.8258 2.9754 2.9754 3.1756 3.1756 3.8977 3.8977 4.0647 4.0647 6.2225 6.2225 7.3027 7.3027 7.3790 7.3790 7.6390 7.6390 7.6440 7.6440 7.8344 7.8344 7.9128 7.9128 8.0999 8.0999 k = 0.1600 0.0924-0.0000 ( 37095 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.1642 -8.1642 -7.5132 -7.5132 -7.5010 -7.5010 -7.4826 -7.4826 -7.3992 -7.3992 -7.3849 -7.3849 0.3603 0.3603 0.3680 0.3680 0.9238 0.9238 1.1125 1.1125 1.2800 1.2800 1.6411 1.6411 1.9302 1.9302 2.0271 2.0271 2.0968 2.0968 2.1565 2.1565 2.3691 2.3691 2.5388 2.5388 2.6019 2.6019 2.7933 2.7933 3.0083 3.0083 3.1617 3.1617 3.8480 3.8480 4.0490 4.0490 6.2180 6.2180 7.2810 7.2810 7.3720 7.3720 7.6359 7.6359 7.6416 7.6416 7.8361 7.8361 7.9396 7.9396 8.1361 8.1361 k = 0.1800 0.1039-0.0000 ( 37075 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.1544 -8.1544 -7.5255 -7.5255 -7.5016 -7.5016 -7.4840 -7.4840 -7.3998 -7.3998 -7.3829 -7.3829 0.3683 0.3683 0.3828 0.3828 0.9283 0.9283 1.0985 1.0985 1.2679 1.2679 1.6666 1.6666 1.9106 1.9106 2.0229 2.0229 2.1093 2.1093 2.1874 2.1874 2.3827 2.3827 2.5400 2.5400 2.5991 2.5991 2.7564 2.7564 3.0417 3.0417 3.1498 3.1498 3.7965 3.7965 4.0319 4.0319 6.2125 6.2125 7.2560 7.2560 7.3650 7.3650 7.6325 7.6325 7.6391 7.6391 7.8373 7.8373 7.9691 7.9691 8.1766 8.1766 k = 0.2000 0.1155-0.0000 ( 37071 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.1436 -8.1436 -7.5388 -7.5388 -7.5036 -7.5036 -7.4837 -7.4837 -7.4006 -7.4006 -7.3811 -7.3811 0.3766 0.3766 0.3992 0.3992 0.9343 0.9343 1.0861 1.0861 1.2559 1.2559 1.6891 1.6891 1.8897 1.8897 2.0186 2.0186 2.1236 2.1236 2.2217 2.2217 2.3961 2.3961 2.5272 2.5272 2.6096 2.6096 2.7163 2.7163 3.0694 3.0694 3.1450 3.1450 3.7445 3.7445 4.0135 4.0135 6.2059 6.2059 7.2280 7.2280 7.3578 7.3578 7.6289 7.6289 7.6365 7.6365 7.8382 7.8382 8.0009 8.0009 8.2208 8.2208 k = 0.2200 0.1270-0.0000 ( 37065 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.1318 -8.1318 -7.5531 -7.5531 -7.5066 -7.5066 -7.4821 -7.4821 -7.4015 -7.4015 -7.3796 -7.3796 0.3850 0.3850 0.4170 0.4170 0.9419 0.9419 1.0755 1.0755 1.2441 1.2441 1.7070 1.7070 1.8698 1.8698 2.0159 2.0159 2.1386 2.1386 2.2576 2.2576 2.4082 2.4082 2.5085 2.5085 2.6233 2.6233 2.6768 2.6768 3.0797 3.0797 3.1589 3.1589 3.6933 3.6933 3.9940 3.9940 6.1983 6.1983 7.1973 7.1973 7.3506 7.3506 7.6250 7.6250 7.6338 7.6338 7.8387 7.8387 8.0348 8.0348 8.2681 8.2681 k = 0.2400 0.1386-0.0000 ( 37057 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.1192 -8.1192 -7.5682 -7.5682 -7.5102 -7.5102 -7.4796 -7.4796 -7.4025 -7.4025 -7.3784 -7.3784 0.3931 0.3931 0.4362 0.4362 0.9514 0.9514 1.0667 1.0667 1.2326 1.2326 1.7178 1.7178 1.8530 1.8530 2.0156 2.0156 2.1532 2.1532 2.2929 2.2929 2.4161 2.4161 2.4922 2.4922 2.6101 2.6101 2.6648 2.6648 3.0735 3.0735 3.1892 3.1893 3.6442 3.6442 3.9735 3.9735 6.1898 6.1898 7.1646 7.1646 7.3432 7.3432 7.6210 7.6210 7.6312 7.6312 7.8390 7.8390 8.0702 8.0702 8.3178 8.3178 k = 0.2600 0.1501-0.0000 ( 37071 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.1057 -8.1057 -7.5841 -7.5841 -7.5140 -7.5140 -7.4767 -7.4767 -7.4036 -7.4036 -7.3775 -7.3775 0.4009 0.4009 0.4565 0.4565 0.9630 0.9630 1.0598 1.0598 1.2215 1.2215 1.7198 1.7198 1.8410 1.8410 2.0185 2.0185 2.1665 2.1665 2.3247 2.3247 2.4141 2.4141 2.4874 2.4874 2.5674 2.5674 2.6829 2.6829 3.0616 3.0616 3.2244 3.2244 3.5987 3.5987 3.9524 3.9524 6.1804 6.1804 7.1302 7.1302 7.3359 7.3359 7.6170 7.6170 7.6285 7.6285 7.8392 7.8392 8.1068 8.1068 8.3690 8.3690 k = 0.2800 0.1617-0.0000 ( 37062 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.0915 -8.0915 -7.6007 -7.6007 -7.5178 -7.5178 -7.4736 -7.4736 -7.4047 -7.4047 -7.3768 -7.3768 0.4080 0.4080 0.4778 0.4778 0.9766 0.9766 1.0548 1.0548 1.2108 1.2108 1.7133 1.7133 1.8340 1.8340 2.0243 2.0243 2.1765 2.1765 2.3479 2.3479 2.4047 2.4047 2.4908 2.4908 2.5281 2.5281 2.7058 2.7058 3.0482 3.0482 3.2579 3.2579 3.5589 3.5589 3.9307 3.9307 6.1705 6.1705 7.0949 7.0949 7.3285 7.3285 7.6130 7.6130 7.6259 7.6259 7.8392 7.8392 8.1440 8.1440 8.4200 8.4200 k = 0.3000 0.1732-0.0000 ( 37062 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.0766 -8.0766 -7.6178 -7.6178 -7.5215 -7.5215 -7.4702 -7.4702 -7.4058 -7.4058 -7.3765 -7.3765 0.4143 0.4143 0.4999 0.4999 0.9915 0.9915 1.0523 1.0523 1.2007 1.2007 1.7011 1.7011 1.8297 1.8297 2.0323 2.0323 2.1804 2.1804 2.3525 2.3525 2.4035 2.4035 2.4643 2.4643 2.5320 2.5320 2.7295 2.7295 3.0347 3.0347 3.2854 3.2854 3.5280 3.5280 3.9087 3.9087 6.1601 6.1601 7.0591 7.0591 7.3213 7.3213 7.6090 7.6090 7.6234 7.6234 7.8391 7.8391 8.1814 8.1814 8.4472 8.4472 k = 0.3200 0.1848-0.0000 ( 37088 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.0613 -8.0613 -7.6353 -7.6353 -7.5249 -7.5249 -7.4668 -7.4668 -7.4069 -7.4069 -7.3764 -7.3764 0.4197 0.4197 0.5225 0.5225 1.0061 1.0061 1.0534 1.0534 1.1914 1.1914 1.6866 1.6866 1.8260 1.8260 2.0408 2.0408 2.1748 2.1748 2.3426 2.3426 2.4003 2.4003 2.4406 2.4406 2.5577 2.5577 2.7530 2.7530 3.0215 3.0215 3.3013 3.3013 3.5109 3.5109 3.8867 3.8867 6.1495 6.1495 7.0238 7.0238 7.3143 7.3143 7.6052 7.6052 7.6210 7.6210 7.8389 7.8389 8.2182 8.2182 8.4453 8.4453 k = 0.3400 0.1963-0.0000 ( 37088 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.0456 -8.0456 -7.6530 -7.6530 -7.5281 -7.5281 -7.4634 -7.4634 -7.4080 -7.4080 -7.3766 -7.3766 0.4241 0.4241 0.5453 0.5453 1.0170 1.0170 1.0603 1.0603 1.1836 1.1836 1.6724 1.6724 1.8219 1.8219 2.0477 2.0477 2.1569 2.1569 2.3284 2.3284 2.3790 2.3790 2.4472 2.4472 2.5874 2.5874 2.7758 2.7758 3.0092 3.0092 3.3019 3.3019 3.5111 3.5111 3.8648 3.8648 6.1389 6.1389 6.9895 6.9895 7.3077 7.3077 7.6016 7.6016 7.6188 7.6188 7.8387 7.8387 8.2540 8.2540 8.4420 8.4420 k = 0.3600 0.2078-0.0000 ( 37060 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.0297 -8.0297 -7.6707 -7.6707 -7.5310 -7.5310 -7.4601 -7.4601 -7.4090 -7.4090 -7.3769 -7.3769 0.4276 0.4276 0.5680 0.5680 1.0224 1.0224 1.0726 1.0726 1.1788 1.1788 1.6599 1.6599 1.8170 1.8170 2.0507 2.0507 2.1276 2.1276 2.3090 2.3090 2.3691 2.3691 2.4605 2.4605 2.6176 2.6176 2.7972 2.7972 2.9978 2.9978 3.2894 3.2894 3.5257 3.5257 3.8433 3.8433 6.1286 6.1286 6.9570 6.9570 7.3015 7.3015 7.5982 7.5982 7.6167 7.6167 7.8385 7.8385 8.2879 8.2879 8.4386 8.4386 k = 0.3800 0.2194-0.0000 ( 37050 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.0140 -8.0140 -7.6881 -7.6881 -7.5335 -7.5335 -7.4570 -7.4570 -7.4100 -7.4100 -7.3775 -7.3775 0.4302 0.4302 0.5900 0.5900 1.0246 1.0246 1.0841 1.0841 1.1803 1.1803 1.6500 1.6500 1.8115 1.8115 2.0475 2.0475 2.0915 2.0915 2.2901 2.2901 2.3710 2.3710 2.4740 2.4740 2.6462 2.6462 2.8167 2.8168 2.9878 2.9878 3.2703 3.2703 3.5483 3.5483 3.8225 3.8225 6.1189 6.1189 6.9271 6.9271 7.2959 7.2959 7.5952 7.5952 7.6149 7.6149 7.8383 7.8383 8.3194 8.3194 8.4355 8.4355 k = 0.4000 0.2309-0.0000 ( 37054 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9987 -7.9987 -7.7047 -7.7047 -7.5357 -7.5357 -7.4541 -7.4541 -7.4108 -7.4108 -7.3781 -7.3781 0.4322 0.4322 0.6107 0.6107 1.0256 1.0256 1.0890 1.0890 1.1909 1.1909 1.6428 1.6428 1.8056 1.8056 2.0320 2.0320 2.0588 2.0588 2.2772 2.2772 2.3778 2.3778 2.4867 2.4867 2.6718 2.6718 2.8340 2.8340 2.9794 2.9794 3.2497 3.2497 3.5737 3.5737 3.8024 3.8024 6.1099 6.1099 6.9004 6.9004 7.2909 7.2909 7.5925 7.5925 7.6133 7.6133 7.8381 7.8381 8.3477 8.3477 8.4328 8.4328 k = 0.4200 0.2425-0.0000 ( 37056 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9844 -7.9844 -7.7202 -7.7202 -7.5376 -7.5376 -7.4516 -7.4516 -7.4115 -7.4115 -7.3788 -7.3788 0.4335 0.4335 0.6295 0.6295 1.0264 1.0264 1.0866 1.0866 1.2093 1.2093 1.6382 1.6382 1.7995 1.7995 1.9984 1.9984 2.0413 2.0413 2.2702 2.2702 2.3859 2.3859 2.4981 2.4981 2.6934 2.6934 2.8484 2.8484 2.9728 2.9728 3.2304 3.2304 3.5991 3.5991 3.7832 3.7832 6.1021 6.1021 6.8776 6.8776 7.2867 7.2867 7.5903 7.5903 7.6120 7.6120 7.8379 7.8379 8.3720 8.3720 8.4304 8.4304 k = 0.4400 0.2540-0.0000 ( 37086 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9717 -7.9717 -7.7339 -7.7339 -7.5390 -7.5390 -7.4495 -7.4495 -7.4120 -7.4120 -7.3794 -7.3794 0.4344 0.4344 0.6455 0.6455 1.0274 1.0274 1.0804 1.0804 1.2304 1.2304 1.6358 1.6358 1.7936 1.7936 1.9626 1.9626 2.0291 2.0291 2.2674 2.2674 2.3935 2.3935 2.5077 2.5077 2.7104 2.7104 2.8596 2.8596 2.9682 2.9682 3.2140 3.2140 3.6228 3.6228 3.7651 3.7651 6.0958 6.0958 6.8593 6.8593 7.2833 7.2833 7.5885 7.5885 7.6110 7.6110 7.8378 7.8378 8.3917 8.3917 8.4286 8.4286 k = 0.4600 0.2656-0.0000 ( 37070 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9616 -7.9616 -7.7447 -7.7447 -7.5401 -7.5401 -7.4479 -7.4479 -7.4124 -7.4124 -7.3799 -7.3799 0.4349 0.4349 0.6579 0.6579 1.0286 1.0286 1.0734 1.0734 1.2496 1.2496 1.6347 1.6347 1.7886 1.7886 1.9332 1.9332 2.0193 2.0193 2.2668 2.2668 2.3995 2.3995 2.5151 2.5151 2.7226 2.7226 2.8676 2.8676 2.9654 2.9654 3.2017 3.2017 3.6436 3.6436 3.7487 3.7487 6.0910 6.0910 6.8458 6.8458 7.2808 7.2808 7.5872 7.5872 7.6102 7.6102 7.8376 7.8376 8.4062 8.4062 8.4274 8.4274 k = 0.4800 0.2771-0.0000 ( 37074 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9548 -7.9548 -7.7518 -7.7518 -7.5407 -7.5407 -7.4470 -7.4470 -7.4127 -7.4127 -7.3803 -7.3803 0.4352 0.4352 0.6657 0.6657 1.0298 1.0298 1.0680 1.0680 1.2630 1.2630 1.6343 1.6343 1.7851 1.7851 1.9141 1.9141 2.0129 2.0129 2.2669 2.2669 2.4034 2.4034 2.5198 2.5198 2.7299 2.7299 2.8722 2.8722 2.9640 2.9640 3.1941 3.1941 3.6596 3.6596 3.7355 3.7355 6.0881 6.0881 6.8376 6.8376 7.2793 7.2793 7.5864 7.5864 7.6098 7.6098 7.8376 7.8376 8.4149 8.4149 8.4268 8.4268 k = 0.5000 0.2887-0.0000 ( 37060 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9525 -7.9525 -7.7543 -7.7543 -7.5409 -7.5409 -7.4466 -7.4466 -7.4128 -7.4128 -7.3804 -7.3804 0.4353 0.4353 0.6684 0.6684 1.0303 1.0303 1.0659 1.0659 1.2678 1.2678 1.6342 1.6342 1.7839 1.7839 1.9075 1.9075 2.0106 2.0106 2.2670 2.2670 2.4047 2.4047 2.5214 2.5214 2.7323 2.7323 2.8737 2.8737 2.9636 2.9636 3.1915 3.1915 3.6662 3.6662 3.7299 3.7299 6.0871 6.0871 6.8349 6.8349 7.2788 7.2788 7.5861 7.5861 7.6096 7.6096 7.8376 7.8376 8.4177 8.4177 8.4268 8.4268 k = 0.5000 0.2887-0.0000 ( 37060 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9525 -7.9525 -7.7543 -7.7543 -7.5409 -7.5409 -7.4466 -7.4466 -7.4128 -7.4128 -7.3804 -7.3804 0.4353 0.4353 0.6684 0.6684 1.0303 1.0303 1.0659 1.0659 1.2678 1.2678 1.6342 1.6342 1.7839 1.7839 1.9075 1.9075 2.0106 2.0106 2.2670 2.2670 2.4047 2.4047 2.5214 2.5214 2.7323 2.7323 2.8737 2.8737 2.9636 2.9636 3.1915 3.1915 3.6662 3.6662 3.7299 3.7299 6.0871 6.0871 6.8349 6.8349 7.2788 7.2788 7.5861 7.5861 7.6096 7.6096 7.8376 7.8376 8.4177 8.4177 8.4268 8.4268 k = 0.4889 0.3079-0.0000 ( 37054 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9521 -7.9521 -7.7541 -7.7541 -7.5421 -7.5420 -7.4466 -7.4466 -7.4123 -7.4123 -7.3804 -7.3803 0.4368 0.4375 0.6673 0.6705 1.0292 1.0316 1.0642 1.0687 1.2604 1.2718 1.6208 1.6454 1.7784 1.7863 1.8845 1.9235 1.9954 2.0221 2.2588 2.2818 2.3955 2.4180 2.5223 2.5252 2.7312 2.7344 2.8637 2.8830 2.9602 2.9673 3.1786 3.2031 3.6624 3.6717 3.7276 3.7307 6.0861 6.0869 6.8352 6.8354 7.2755 7.2780 7.5861 7.5862 7.6095 7.6095 7.8402 7.8403 8.4168 8.4171 8.4276 8.4305 k = 0.4778 0.3272-0.0000 ( 37068 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9509 -7.9509 -7.7535 -7.7534 -7.5457 -7.5455 -7.4464 -7.4464 -7.4111 -7.4111 -7.3803 -7.3802 0.4422 0.4435 0.6672 0.6736 1.0279 1.0331 1.0635 1.0727 1.2500 1.2722 1.6051 1.6545 1.7703 1.7855 1.8573 1.9273 1.9810 2.0291 2.2585 2.3002 2.3920 2.4346 2.5278 2.5335 2.7311 2.7377 2.8529 2.8916 2.9573 2.9714 3.1645 3.2134 3.6599 3.6788 3.7240 3.7305 6.0841 6.0857 6.8363 6.8367 7.2681 7.2733 7.5860 7.5862 7.6092 7.6092 7.8481 7.8483 8.4143 8.4144 8.4330 8.4392 k = 0.4667 0.3464-0.0000 ( 37082 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9490 -7.9489 -7.7524 -7.7523 -7.5514 -7.5511 -7.4461 -7.4461 -7.4094 -7.4094 -7.3801 -7.3800 0.4513 0.4532 0.6682 0.6777 1.0260 1.0347 1.0642 1.0778 1.2371 1.2691 1.5875 1.6614 1.7598 1.7811 1.8279 1.9131 1.9737 2.0323 2.2662 2.3175 2.3974 2.4539 2.5371 2.5456 2.7320 2.7420 2.8415 2.8996 2.9549 2.9756 3.1496 3.2224 3.6578 3.6860 3.7202 3.7303 6.0811 6.0835 6.8383 6.8389 7.2569 7.2647 7.5859 7.5862 7.6086 7.6086 7.8611 7.8614 8.4099 8.4099 8.4432 8.4527 k = 0.4556 0.3657-0.0000 ( 37082 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6145 -41.6145 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9463 -7.9462 -7.7510 -7.7507 -7.5589 -7.5585 -7.4457 -7.4456 -7.4073 -7.4073 -7.3798 -7.3797 0.4639 0.4664 0.6700 0.6828 1.0227 1.0363 1.0664 1.0841 1.2225 1.2629 1.5680 1.6662 1.7475 1.7712 1.7996 1.8865 1.9695 2.0327 2.2810 2.3292 2.4141 2.4751 2.5494 2.5604 2.7339 2.7473 2.8294 2.9068 2.9529 2.9798 3.1343 3.2304 3.6545 3.6893 3.7200 3.7314 6.0772 6.0803 6.8410 6.8420 7.2422 7.2526 7.5859 7.5862 7.6079 7.6079 7.8791 7.8795 8.4035 8.4038 8.4583 8.4708 k = 0.4444 0.3849-0.0000 ( 37082 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6145 -41.6145 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9429 -7.9428 -7.7491 -7.7488 -7.5680 -7.5675 -7.4451 -7.4450 -7.4052 -7.4052 -7.3794 -7.3793 0.4800 0.4828 0.6727 0.6887 1.0175 1.0376 1.0700 1.0917 1.2070 1.2539 1.5471 1.6691 1.7341 1.7492 1.7803 1.8549 1.9633 2.0309 2.3013 2.3360 2.4400 2.4975 2.5637 2.5770 2.7365 2.7534 2.8168 2.9131 2.9514 2.9840 3.1192 3.2377 3.6485 3.6844 3.7274 3.7351 6.0725 6.0764 6.8446 6.8461 7.2242 7.2374 7.5858 7.5862 7.6069 7.6069 7.9017 7.9022 8.3954 8.3960 8.4780 8.4933 k = 0.4333 0.4041-0.0000 ( 37074 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6145 -41.6145 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9389 -7.9387 -7.7470 -7.7466 -7.5782 -7.5776 -7.4444 -7.4443 -7.4034 -7.4033 -7.3788 -7.3787 0.4993 0.5021 0.6761 0.6954 1.0099 1.0385 1.0750 1.1005 1.1916 1.2428 1.5253 1.6703 1.7174 1.7200 1.7687 1.8215 1.9542 2.0277 2.3255 2.3411 2.4706 2.5203 2.5791 2.5945 2.7396 2.7603 2.8039 2.9181 2.9503 2.9880 3.1051 3.2447 3.6391 3.6740 3.7397 3.7418 6.0671 6.0717 6.8489 6.8511 7.2036 7.2195 7.5858 7.5862 7.6056 7.6057 7.9284 7.9291 8.3859 8.3867 8.5022 8.5200 k = 0.4222 0.4234-0.0000 ( 37068 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9343 -7.9340 -7.7445 -7.7440 -7.5893 -7.5885 -7.4436 -7.4434 -7.4018 -7.4018 -7.3780 -7.3779 0.5213 0.5238 0.6801 0.7027 0.9993 1.0390 1.0808 1.1100 1.1774 1.2302 1.5033 1.6696 1.6828 1.7062 1.7592 1.7882 1.9428 2.0231 2.3464 2.3522 2.5028 2.5426 2.5946 2.6121 2.7427 2.7676 2.7914 2.9208 2.9495 2.9919 3.0929 3.2519 3.6263 3.6609 3.7512 3.7537 6.0613 6.0666 6.8539 6.8569 7.1809 7.1998 7.5859 7.5863 7.6043 7.6044 7.9587 7.9596 8.3749 8.3760 8.5306 8.5504 k = 0.4111 0.4426-0.0000 ( 37094 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6145 -41.6145 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9292 -7.9289 -7.7419 -7.7413 -7.6009 -7.5999 -7.4426 -7.4425 -7.4007 -7.4006 -7.3771 -7.3770 0.5458 0.5474 0.6845 0.7105 0.9857 1.0392 1.0873 1.1200 1.1649 1.2167 1.4821 1.6476 1.6667 1.6940 1.7503 1.7559 1.9298 2.0176 2.3524 2.3801 2.5346 2.5637 2.6095 2.6295 2.7444 2.7751 2.7805 2.9202 2.9491 2.9957 3.0839 3.2596 3.6108 3.6464 3.7621 3.7682 6.0553 6.0611 6.8594 6.8636 7.1569 7.1787 7.5860 7.5865 7.6027 7.6029 7.9918 7.9929 8.3627 8.3641 8.5628 8.5842 k = 0.4000 0.4619-0.0000 ( 37112 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6145 -41.6145 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9238 -7.9235 -7.7393 -7.7384 -7.6126 -7.6115 -7.4416 -7.4414 -7.4000 -7.3999 -7.3761 -7.3760 0.5719 0.5720 0.6892 0.7184 0.9693 1.0395 1.0939 1.1297 1.1545 1.2028 1.4627 1.6126 1.6610 1.6846 1.7258 1.7423 1.9160 2.0115 2.3590 2.4082 2.5645 2.5831 2.6231 2.6468 2.7415 2.7742 2.7825 2.9152 2.9489 2.9992 3.0790 3.2681 3.5936 3.6313 3.7738 3.7823 6.0493 6.0556 6.8652 6.8710 7.1324 7.1574 7.5861 7.5866 7.6011 7.6014 8.0267 8.0281 8.3495 8.3514 8.5981 8.6203 k = 0.3889 0.4811-0.0000 ( 37120 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6145 -41.6145 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9182 -7.9179 -7.7367 -7.7357 -7.6240 -7.6226 -7.4406 -7.4404 -7.3997 -7.3995 -7.3752 -7.3751 0.5963 0.5991 0.6938 0.7262 0.9507 1.0405 1.1003 1.1381 1.1463 1.1893 1.4463 1.5784 1.6526 1.6781 1.6992 1.7352 1.9022 2.0051 2.3660 2.4357 2.5910 2.6003 2.6348 2.6645 2.7325 2.7740 2.7894 2.9054 2.9490 3.0025 3.0782 3.2774 3.5754 3.6165 3.7853 3.7954 6.0435 6.0504 6.8711 6.8789 7.1082 7.1366 7.5863 7.5869 7.5995 7.5999 8.0622 8.0641 8.3358 8.3382 8.6354 8.6568 k = 0.3778 0.5004-0.0000 ( 37090 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9127 -7.9124 -7.7345 -7.7333 -7.6345 -7.6329 -7.4396 -7.4394 -7.3996 -7.3995 -7.3743 -7.3742 0.6193 0.6262 0.6982 0.7336 0.9312 1.0431 1.1063 1.1398 1.1433 1.1774 1.4343 1.5457 1.6432 1.6687 1.6820 1.7292 1.8889 1.9989 2.3727 2.4615 2.6124 2.6150 2.6441 2.6836 2.7203 2.7771 2.7957 2.8915 2.9492 3.0055 3.0807 3.2873 3.5572 3.6026 3.7958 3.8069 6.0383 6.0456 6.8767 6.8868 7.0857 7.1175 7.5865 7.5872 7.5979 7.5985 8.0968 8.0993 8.3218 8.3251 8.6712 8.6861 k = 0.3667 0.5196-0.0000 ( 37074 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9076 -7.9073 -7.7329 -7.7314 -7.6435 -7.6417 -7.4387 -7.4385 -7.3997 -7.3995 -7.3736 -7.3735 0.6392 0.6515 0.7020 0.7401 0.9122 1.0485 1.1116 1.1348 1.1413 1.1704 1.4277 1.5152 1.6332 1.6540 1.6772 1.7245 1.8770 1.9933 2.3787 2.4846 2.6271 2.6279 2.6508 2.7041 2.7076 2.7810 2.8012 2.8746 2.9496 3.0079 3.0849 3.2970 3.5404 3.5906 3.8047 3.8165 6.0339 6.0415 6.8814 6.8941 7.0659 7.1013 7.5868 7.5876 7.5965 7.5972 8.1284 8.1317 8.3086 8.3128 8.6892 8.6931 k = 0.3556 0.5389-0.0000 ( 37064 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9034 -7.9030 -7.7321 -7.7304 -7.6504 -7.6484 -7.4379 -7.4377 -7.3999 -7.3997 -7.3730 -7.3729 0.6547 0.6730 0.7048 0.7453 0.8958 1.0574 1.1162 1.1306 1.1310 1.1691 1.4273 1.4878 1.6227 1.6443 1.6757 1.7211 1.8673 1.9887 2.3836 2.5035 2.6363 2.6379 2.6552 2.6962 2.7244 2.7844 2.8060 2.8566 2.9500 3.0097 3.0892 3.3056 3.5264 3.5813 3.8115 3.8237 6.0305 6.0383 6.8849 6.9001 7.0503 7.0889 7.5870 7.5879 7.5953 7.5962 8.1541 8.1585 8.2973 8.3029 8.6861 8.6889 k = 0.3444 0.5581-0.0000 ( 37046 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9004 -7.9000 -7.7320 -7.7301 -7.6546 -7.6524 -7.4375 -7.4372 -7.4001 -7.3999 -7.3727 -7.3726 0.6643 0.6877 0.7066 0.7487 0.8845 1.0690 1.1179 1.1201 1.1271 1.1692 1.4333 1.4643 1.6144 1.6398 1.6751 1.7191 1.8607 1.9857 2.3868 2.5161 2.6422 2.6432 2.6579 2.6877 2.7410 2.7867 2.8106 2.8402 2.9504 3.0108 3.0923 3.3116 3.5169 3.5754 3.8158 3.8282 6.0283 6.0363 6.8868 6.9039 7.0405 7.0813 7.5871 7.5882 7.5945 7.5955 8.1706 8.1762 8.2900 8.2968 8.6816 8.6847 k = 0.3333 0.5774-0.0000 ( 37026 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.8992 -7.8989 -7.7321 -7.7302 -7.6560 -7.6538 -7.4373 -7.4370 -7.4002 -7.4000 -7.3726 -7.3725 0.6676 0.6929 0.7072 0.7499 0.8805 1.0764 1.1103 1.1228 1.1246 1.1691 1.4439 1.4477 1.6112 1.6386 1.6750 1.7185 1.8582 1.9846 2.3880 2.5205 2.6442 2.6448 2.6590 2.6844 2.7478 2.7876 2.8139 2.8319 2.9505 3.0111 3.0934 3.3138 3.5136 3.5734 3.8173 3.8297 6.0276 6.0356 6.8874 6.9051 7.0372 7.0788 7.5872 7.5883 7.5942 7.5953 8.1760 8.1821 8.2878 8.2952 8.6799 8.6831 k = 0.3333 0.5774-0.0000 ( 37026 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.8992 -7.8989 -7.7321 -7.7302 -7.6560 -7.6538 -7.4373 -7.4370 -7.4002 -7.4000 -7.3726 -7.3725 0.6676 0.6929 0.7072 0.7499 0.8805 1.0764 1.1103 1.1228 1.1246 1.1691 1.4439 1.4477 1.6112 1.6386 1.6750 1.7185 1.8582 1.9846 2.3880 2.5205 2.6442 2.6448 2.6590 2.6844 2.7478 2.7876 2.8139 2.8319 2.9505 3.0111 3.0934 3.3138 3.5136 3.5734 3.8173 3.8297 6.0276 6.0356 6.8874 6.9051 7.0372 7.0788 7.5872 7.5883 7.5942 7.5953 8.1760 8.1821 8.2878 8.2952 8.6799 8.6831 k = 0.3218 0.5574-0.0000 ( 37046 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9006 -7.9003 -7.7316 -7.7298 -7.6547 -7.6525 -7.4375 -7.4373 -7.4001 -7.3999 -7.3727 -7.3726 0.6644 0.6877 0.7064 0.7483 0.8844 1.0677 1.1174 1.1202 1.1270 1.1705 1.4333 1.4650 1.6150 1.6395 1.6751 1.7191 1.8611 1.9859 2.3866 2.5159 2.6420 2.6432 2.6575 2.6881 2.7407 2.7866 2.8101 2.8407 2.9503 3.0108 3.0923 3.3116 3.5171 3.5755 3.8157 3.8280 6.0284 6.0364 6.8871 6.9042 7.0404 7.0813 7.5871 7.5882 7.5945 7.5955 8.1713 8.1769 8.2887 8.2956 8.6818 8.6848 k = 0.3103 0.5375-0.0000 ( 37062 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9049 -7.9046 -7.7296 -7.7279 -7.6512 -7.6491 -7.4382 -7.4380 -7.3997 -7.3995 -7.3730 -7.3729 0.6557 0.6744 0.7036 0.7430 0.8942 1.0515 1.1168 1.1235 1.1296 1.1789 1.4291 1.4903 1.6268 1.6419 1.6758 1.7210 1.8701 1.9899 2.3824 2.5033 2.6355 2.6390 2.6534 2.6974 2.7236 2.7837 2.8039 2.8569 2.9498 3.0099 3.0897 3.3060 3.5268 3.5815 3.8110 3.8233 6.0310 6.0388 6.8870 6.9029 7.0491 7.0883 7.5871 7.5881 7.5953 7.5962 8.1597 8.1646 8.2881 8.2941 8.6872 8.6893 k = 0.2989 0.5176-0.0000 ( 37060 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9123 -7.9120 -7.7255 -7.7239 -7.6461 -7.6442 -7.4393 -7.4391 -7.3992 -7.3990 -7.3735 -7.3734 0.6431 0.6559 0.6983 0.7338 0.9068 1.0342 1.1133 1.1200 1.1316 1.1945 1.4334 1.5219 1.6409 1.6505 1.6780 1.7239 1.8854 1.9966 2.3751 2.4849 2.6253 2.6324 2.6468 2.7022 2.7090 2.7787 2.7962 2.8728 2.9488 3.0088 3.0874 3.2991 3.5407 3.5906 3.8035 3.8157 6.0352 6.0428 6.8883 6.9028 7.0617 7.0989 7.5873 7.5881 7.5965 7.5972 8.1441 8.1484 8.2832 8.2882 8.6944 8.6944 k = 0.2874 0.4977-0.0000 ( 37088 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9223 -7.9220 -7.7192 -7.7176 -7.6399 -7.6380 -7.4410 -7.4408 -7.3983 -7.3982 -7.3742 -7.3741 0.6276 0.6349 0.6901 0.7210 0.9198 1.0178 1.1096 1.1105 1.1328 1.2110 1.4461 1.5601 1.6434 1.6761 1.6851 1.7278 1.9064 2.0060 2.3648 2.4627 2.6121 2.6236 2.6374 2.6797 2.7205 2.7716 2.7860 2.8844 2.9477 3.0072 3.0881 3.2930 3.5563 3.6013 3.7942 3.8062 6.0411 6.0484 6.8919 6.9051 7.0770 7.1122 7.5877 7.5884 7.5980 7.5985 8.1265 8.1302 8.2733 8.2775 8.6954 8.7011 k = 0.2759 0.4778-0.0000 ( 37108 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6145 -41.6145 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9346 -7.9344 -7.7108 -7.7093 -7.6328 -7.6310 -7.4431 -7.4429 -7.3973 -7.3972 -7.3750 -7.3749 0.6103 0.6126 0.6790 0.7050 0.9322 1.0026 1.0985 1.1061 1.1330 1.2247 1.4656 1.6049 1.6440 1.6887 1.7168 1.7324 1.9324 2.0176 2.3518 2.4382 2.5966 2.6128 2.6249 2.6574 2.7299 2.7625 2.7727 2.8896 2.9468 3.0051 3.0949 3.2894 3.5708 3.6116 3.7844 3.7961 6.0486 6.0555 6.8984 6.9108 7.0941 7.1275 7.5884 7.5890 7.5997 7.6001 8.1078 8.1110 8.2591 8.2626 8.6849 8.6850 k = 0.2644 0.4579-0.0000 ( 37110 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6145 -41.6145 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9486 -7.9484 -7.7007 -7.6993 -7.6250 -7.6233 -7.4456 -7.4455 -7.3962 -7.3961 -7.3758 -7.3757 0.5902 0.5920 0.6650 0.6862 0.9431 0.9890 1.0858 1.1026 1.1322 1.2350 1.4898 1.6445 1.6556 1.6993 1.7378 1.7596 1.9628 2.0306 2.3368 2.4123 2.5791 2.6002 2.6095 2.6363 2.7343 2.7528 2.7559 2.8875 2.9468 3.0023 3.1091 3.2896 3.5813 3.6186 3.7766 3.7881 6.0575 6.0640 6.9082 6.9202 7.1123 7.1442 7.5894 7.5900 7.6016 7.6019 8.0886 8.0914 8.2414 8.2443 8.6582 8.6630 k = 0.2529 0.4380-0.0000 ( 37094 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9638 -7.9636 -7.6893 -7.6879 -7.6167 -7.6151 -7.4484 -7.4483 -7.3950 -7.3949 -7.3768 -7.3767 0.5680 0.5731 0.6484 0.6654 0.9525 0.9770 1.0737 1.0994 1.1309 1.2427 1.5169 1.6460 1.7102 1.7118 1.7446 1.8067 1.9968 2.0441 2.3208 2.3857 2.5603 2.5857 2.5914 2.6170 2.7280 2.7356 2.7476 2.8789 2.9483 2.9997 3.1300 3.2941 3.5842 3.6191 3.7740 3.7851 6.0677 6.0737 6.9214 6.9332 7.1313 7.1617 7.5908 7.5914 7.6037 7.6039 8.0691 8.0717 8.2211 8.2236 8.6312 8.6362 k = 0.2414 0.4181-0.0000 ( 37084 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9798 -7.9796 -7.6769 -7.6755 -7.6081 -7.6065 -7.4515 -7.4515 -7.3938 -7.3938 -7.3777 -7.3776 0.5465 0.5541 0.6296 0.6429 0.9602 0.9662 1.0629 1.0959 1.1296 1.2485 1.5457 1.6491 1.7260 1.7466 1.7728 1.8552 2.0343 2.0571 2.3051 2.3591 2.5408 2.5696 2.5707 2.5998 2.7119 2.7125 2.7445 2.8653 2.9520 2.9984 3.1556 3.3030 3.5774 3.6109 3.7789 3.7894 6.0789 6.0844 6.9381 6.9499 7.1507 7.1799 7.5926 7.5931 7.6059 7.6060 8.0497 8.0521 8.1991 8.2012 8.6037 8.6076 k = 0.2299 0.3982-0.0000 ( 37094 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9963 -7.9961 -7.6637 -7.6624 -7.5992 -7.5976 -7.4549 -7.4548 -7.3927 -7.3927 -7.3787 -7.3786 0.5258 0.5352 0.6092 0.6195 0.9567 0.9663 1.0539 1.0918 1.1293 1.2532 1.5756 1.6542 1.7417 1.7546 1.8294 1.9021 2.0692 2.0753 2.2913 2.3332 2.5214 2.5481 2.5523 2.5847 2.6855 2.6935 2.7385 2.8481 2.9583 2.9989 3.1839 3.3156 3.5617 3.5950 3.7911 3.8010 6.0909 6.0959 6.9579 6.9699 7.1702 7.1983 7.5947 7.5952 7.6083 7.6083 8.0306 8.0329 8.1759 8.1777 8.5759 8.5785 k = 0.2184 0.3783-0.0000 ( 37088 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.0129 -8.0127 -7.6501 -7.6487 -7.5901 -7.5886 -7.4584 -7.4583 -7.3918 -7.3917 -7.3796 -7.3794 0.5061 0.5166 0.5876 0.5954 0.9481 0.9710 1.0471 1.0868 1.1308 1.2570 1.6062 1.6614 1.7585 1.7612 1.8829 1.9438 2.0817 2.1200 2.2805 2.3088 2.5022 2.5250 2.5339 2.5719 2.6575 2.6722 2.7290 2.8283 2.9672 3.0014 3.2129 3.3303 3.5405 3.5743 3.8089 3.8178 6.1035 6.1079 6.9805 6.9928 7.1897 7.2167 7.5972 7.5977 7.6108 7.6109 8.0118 8.0140 8.1521 8.1537 8.5482 8.5497 k = 0.2069 0.3584-0.0000 ( 37092 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.0295 -8.0293 -7.6361 -7.6348 -7.5808 -7.5794 -7.4620 -7.4619 -7.3911 -7.3910 -7.3804 -7.3802 0.4875 0.4986 0.5652 0.5710 0.9404 0.9744 1.0426 1.0807 1.1345 1.2606 1.6374 1.6703 1.7668 1.7762 1.9254 1.9772 2.0990 2.1671 2.2734 2.2875 2.4803 2.5063 2.5140 2.5605 2.6309 2.6495 2.7164 2.8069 2.9784 3.0058 3.2400 3.3435 3.5194 3.5531 3.8300 3.8379 6.1164 6.1203 7.0056 7.0182 7.2090 7.2348 7.6000 7.6005 7.6134 7.6135 7.9936 7.9957 8.1279 8.1294 8.5214 8.5220 k = 0.1954 0.3384-0.0000 ( 37086 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.0458 -8.0457 -7.6220 -7.6207 -7.5716 -7.5701 -7.4656 -7.4656 -7.3907 -7.3906 -7.3810 -7.3808 0.4700 0.4813 0.5425 0.5468 0.9336 0.9766 1.0405 1.0744 1.1403 1.2640 1.6689 1.6806 1.7709 1.7944 1.9503 2.0004 2.1259 2.2093 2.2707 2.2756 2.4523 2.4916 2.4977 2.5470 2.6117 2.6259 2.7016 2.7844 2.9916 3.0120 3.2613 3.3486 3.5066 3.5367 3.8530 3.8598 6.1293 6.1328 7.0327 7.0455 7.2278 7.2525 7.6032 7.6036 7.6161 7.6163 7.9759 7.9780 8.1038 8.1052 8.4958 8.4960 k = 0.1839 0.3185-0.0000 ( 37088 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.0618 -8.0617 -7.6080 -7.6067 -7.5623 -7.5608 -7.4693 -7.4693 -7.3907 -7.3906 -7.3815 -7.3813 0.4536 0.4646 0.5198 0.5229 0.9276 0.9773 1.0405 1.0687 1.1481 1.2675 1.6915 1.7007 1.7721 1.8127 1.9592 2.0134 2.1572 2.2208 2.2757 2.2965 2.4200 2.4658 2.4999 2.5270 2.6018 2.6063 2.6854 2.7613 3.0065 3.0196 3.2718 3.3376 3.5108 3.5312 3.8768 3.8827 6.1421 6.1451 7.0613 7.0742 7.2460 7.2696 7.6065 7.6070 7.6189 7.6192 7.9590 7.9610 8.0800 8.0813 8.4717 8.4722 k = 0.1724 0.2986-0.0000 ( 37058 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.0773 -8.0772 -7.5941 -7.5928 -7.5530 -7.5516 -7.4729 -7.4729 -7.3909 -7.3908 -7.3819 -7.3817 0.4383 0.4487 0.4974 0.4996 0.9227 0.9763 1.0427 1.0647 1.1575 1.2712 1.7021 1.7323 1.7693 1.8307 1.9600 2.0181 2.1783 2.2080 2.2957 2.3398 2.3850 2.4353 2.5037 2.5128 2.5781 2.6138 2.6687 2.7380 3.0225 3.0282 3.2679 3.3111 3.5324 3.5413 3.9009 3.9058 6.1546 6.1571 7.0908 7.1038 7.2635 7.2860 7.6101 7.6105 7.6217 7.6221 7.9428 7.9448 8.0567 8.0579 8.4484 8.4506 k = 0.1609 0.2787-0.0000 ( 37064 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.0922 -8.0921 -7.5804 -7.5792 -7.5439 -7.5426 -7.4765 -7.4764 -7.3914 -7.3913 -7.3822 -7.3820 0.4241 0.4337 0.4756 0.4771 0.9187 0.9734 1.0469 1.0634 1.1684 1.2754 1.7111 1.7569 1.7679 1.8478 1.9595 2.0175 2.1820 2.1909 2.3312 2.3480 2.3823 2.4002 2.4819 2.5341 2.5578 2.6297 2.6522 2.7149 3.0372 3.0395 3.2508 3.2752 3.5657 3.5667 3.9247 3.9288 6.1664 6.1686 7.1207 7.1338 7.2802 7.3014 7.6138 7.6142 7.6246 7.6250 7.9275 7.9294 8.0339 8.0351 8.4210 8.4293 k = 0.1494 0.2588-0.0000 ( 37070 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.1064 -8.1063 -7.5671 -7.5660 -7.5350 -7.5337 -7.4799 -7.4799 -7.3921 -7.3919 -7.3825 -7.3824 0.4110 0.4195 0.4546 0.4556 0.9157 0.9684 1.0530 1.0653 1.1806 1.2799 1.7166 1.7453 1.7965 1.8639 1.9613 2.0154 2.1728 2.1747 2.3102 2.3606 2.3713 2.4170 2.4657 2.5281 2.5757 2.6369 2.6495 2.6940 3.0456 3.0571 3.2259 3.2347 3.6033 3.6061 3.9480 3.9513 6.1775 6.1793 7.1506 7.1634 7.2961 7.3159 7.6176 7.6180 7.6276 7.6279 7.9130 7.9149 8.0118 8.0130 8.3794 8.3834 k = 0.1379 0.2389-0.0000 ( 37064 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.1198 -8.1198 -7.5543 -7.5532 -7.5263 -7.5251 -7.4831 -7.4831 -7.3928 -7.3927 -7.3830 -7.3829 0.3989 0.4062 0.4346 0.4351 0.9135 0.9620 1.0610 1.0704 1.1940 1.2850 1.7169 1.7263 1.8268 1.8788 1.9663 2.0151 2.1548 2.1622 2.2719 2.3210 2.3961 2.4410 2.4649 2.5108 2.6103 2.6289 2.6557 2.6911 3.0513 3.0747 3.1928 3.1991 3.6471 3.6512 3.9705 3.9732 6.1878 6.1892 7.1799 7.1924 7.3110 7.3293 7.6215 7.6219 7.6305 7.6309 7.8995 7.9014 7.9905 7.9916 8.3295 8.3309 k = 0.1264 0.2190-0.0000 ( 37062 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.1324 -8.1324 -7.5421 -7.5410 -7.5180 -7.5169 -7.4861 -7.4860 -7.3936 -7.3935 -7.3837 -7.3836 0.3877 0.3939 0.4158 0.4160 0.9121 0.9547 1.0708 1.0784 1.2083 1.2905 1.7035 1.7103 1.8562 1.8932 1.9740 2.0184 2.1370 2.1473 2.2342 2.2804 2.3954 2.4475 2.4887 2.5036 2.6087 2.6373 2.6637 2.7158 3.0507 3.0906 3.1522 3.1767 3.6955 3.6994 3.9920 3.9941 6.1969 6.1981 7.2083 7.2201 7.3249 7.3417 7.6253 7.6257 7.6334 7.6337 7.8869 7.8888 7.9699 7.9711 8.2787 8.2791 k = 0.1149 0.1991-0.0000 ( 37047 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.1441 -8.1441 -7.5305 -7.5295 -7.5103 -7.5093 -7.4885 -7.4884 -7.3944 -7.3943 -7.3846 -7.3845 0.3776 0.3824 0.3982 0.3982 0.9115 0.9472 1.0823 1.0888 1.2235 1.2964 1.6784 1.6967 1.8841 1.9077 1.9836 2.0255 2.1197 2.1318 2.1979 2.2409 2.3833 2.4356 2.5079 2.5206 2.6034 2.6153 2.7071 2.7464 3.0397 3.0905 3.1284 3.1647 3.7463 3.7496 4.0123 4.0139 6.2050 6.2059 7.2351 7.2461 7.3379 7.3529 7.6290 7.6294 7.6362 7.6365 7.8753 7.8772 7.9501 7.9512 8.2293 8.2293 k = 0.1034 0.1792-0.0000 ( 37079 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.1548 -8.1548 -7.5197 -7.5188 -7.5036 -7.5029 -7.4901 -7.4897 -7.3952 -7.3951 -7.3858 -7.3857 0.3684 0.3720 0.3818 0.3821 0.9113 0.9399 1.0953 1.1012 1.2392 1.3026 1.6523 1.6769 1.9096 1.9224 1.9937 2.0356 2.1026 2.1168 2.1647 2.2038 2.3692 2.4166 2.5115 2.5501 2.5939 2.6042 2.7487 2.7779 3.0181 3.0576 3.1383 3.1641 3.7980 3.8006 4.0312 4.0324 6.2120 6.2126 7.2600 7.2699 7.3500 7.3630 7.6326 7.6329 7.6389 7.6392 7.8648 7.8666 7.9310 7.9322 8.1826 8.1827 k = 0.0920 0.1593-0.0000 ( 37097 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.1646 -8.1646 -7.5101 -7.5094 -7.4991 -7.4991 -7.4891 -7.4884 -7.3959 -7.3958 -7.3871 -7.3870 0.3600 0.3622 0.3670 0.3677 0.9115 0.9333 1.1098 1.1153 1.2553 1.3091 1.6259 1.6526 1.9316 1.9364 2.0032 2.0470 2.0849 2.1035 2.1367 2.1705 2.3555 2.3962 2.5098 2.5634 2.5854 2.6113 2.7867 2.8086 2.9907 3.0200 3.1547 3.1709 3.8494 3.8512 4.0487 4.0495 6.2177 6.2182 7.2827 7.2913 7.3612 7.3722 7.6359 7.6362 7.6415 7.6418 7.8553 7.8570 7.9126 7.9138 8.1398 8.1400 k = 0.0805 0.1394-0.0000 ( 37087 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.1732 -8.1732 -7.5037 -7.5036 -7.4961 -7.4953 -7.4850 -7.4840 -7.3966 -7.3965 -7.3887 -7.3886 0.3523 0.3523 0.3541 0.3562 0.9118 0.9276 1.1256 1.1306 1.2715 1.3155 1.6000 1.6254 1.9480 1.9481 2.0114 2.0585 2.0672 2.0936 2.1158 2.1425 2.3429 2.3761 2.5043 2.5463 2.6042 2.6218 2.8201 2.8371 2.9619 2.9844 3.1713 3.1813 3.8989 3.9001 4.0646 4.0651 6.2223 6.2227 7.3028 7.3097 7.3716 7.3803 7.6390 7.6392 7.6439 7.6442 7.8470 7.8486 7.8950 7.8962 8.1018 8.1020 k = 0.0690 0.1195-0.0000 ( 37091 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.1808 -8.1808 -7.5030 -7.5030 -7.4894 -7.4886 -7.4798 -7.4790 -7.3972 -7.3971 -7.3904 -7.3904 0.3417 0.3420 0.3463 0.3480 0.9122 0.9228 1.1423 1.1467 1.2873 1.3216 1.5751 1.5969 1.9544 1.9553 2.0190 2.0515 2.0696 2.0883 2.1025 2.1212 2.3319 2.3572 2.4971 2.5270 2.6228 2.6332 2.8476 2.8615 2.9352 2.9532 3.1870 3.1929 3.9453 3.9460 4.0788 4.0791 6.2259 6.2261 7.3200 7.3252 7.3813 7.3877 7.6418 7.6419 7.6462 7.6464 7.8397 7.8411 7.8782 7.8793 8.0690 8.0691 k = 0.0575 0.0995-0.0000 ( 37087 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.1873 -8.1873 -7.5040 -7.5040 -7.4822 -7.4815 -7.4750 -7.4742 -7.3977 -7.3976 -7.3923 -7.3922 0.3320 0.3321 0.3407 0.3417 0.9126 0.9190 1.1594 1.1631 1.3024 1.3272 1.5518 1.5686 1.9521 1.9521 2.0278 2.0442 2.0757 2.0857 2.0974 2.1086 2.3225 2.3401 2.4896 2.5093 2.6383 2.6440 2.8659 2.8771 2.9162 2.9302 3.2012 3.2045 3.9871 3.9875 4.0912 4.0914 6.2285 6.2286 7.3341 7.3375 7.3902 7.3943 7.6442 7.6443 7.6482 7.6483 7.8335 7.8348 7.8625 7.8636 8.0418 8.0418 k = 0.0460 0.0796-0.0000 ( 37089 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.1926 -8.1926 -7.5051 -7.5051 -7.4757 -7.4751 -7.4707 -7.4701 -7.3982 -7.3981 -7.3941 -7.3941 0.3240 0.3240 0.3361 0.3366 0.9128 0.9162 1.1764 1.1790 1.3160 1.3320 1.5306 1.5418 1.9418 1.9422 2.0373 2.0446 2.0748 2.0807 2.1015 2.1067 2.3146 2.3253 2.4826 2.4940 2.6505 2.6534 2.8676 2.8719 2.9175 2.9234 3.2134 3.2151 4.0231 4.0233 4.1019 4.1020 6.2302 6.2303 7.3451 7.3469 7.3980 7.4003 7.6461 7.6462 7.6499 7.6500 7.8285 7.8295 7.8486 7.8495 8.0200 8.0201 k = 0.0345 0.0597-0.0000 ( 37085 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.1968 -8.1968 -7.5060 -7.5060 -7.4703 -7.4699 -7.4673 -7.4668 -7.3986 -7.3985 -7.3958 -7.3957 0.3176 0.3177 0.3324 0.3326 0.9128 0.9143 1.1922 1.1937 1.3275 1.3360 1.5122 1.5183 1.9294 1.9297 2.0457 2.0487 2.0715 2.0746 2.1089 2.1109 2.3081 2.3134 2.4765 2.4818 2.6598 2.6610 2.8563 2.8570 2.9286 2.9301 3.2233 3.2240 4.0519 4.0519 4.1110 4.1110 6.2314 6.2314 7.3530 7.3538 7.4044 7.4054 7.6477 7.6477 7.6513 7.6514 7.8245 7.8253 7.8369 7.8376 8.0037 8.0037 k = 0.0230 0.0398-0.0000 ( 37091 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.1998 -8.1998 -7.5068 -7.5068 -7.4662 -7.4660 -7.4647 -7.4644 -7.3990 -7.3990 -7.3970 -7.3970 0.3131 0.3131 0.3297 0.3298 0.9127 0.9132 1.2053 1.2059 1.3360 1.3390 1.4974 1.4997 1.9186 1.9187 2.0521 2.0532 2.0686 2.0697 2.1156 2.1162 2.3030 2.3048 2.4715 2.4732 2.6662 2.6665 2.8442 2.8443 2.9381 2.9384 3.2306 3.2308 4.0724 4.0724 4.1183 4.1183 6.2320 6.2320 7.3582 7.3584 7.4092 7.4095 7.6488 7.6488 7.6524 7.6524 7.8214 7.8219 7.8283 7.8287 7.9923 7.9923 k = 0.0115 0.0199-0.0000 ( 37081 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.2016 -8.2016 -7.5072 -7.5072 -7.4638 -7.4637 -7.4630 -7.4629 -7.3995 -7.3995 -7.3977 -7.3977 0.3104 0.3104 0.3281 0.3281 0.9126 0.9126 1.2141 1.2142 1.3408 1.3413 1.4876 1.4879 1.9114 1.9114 2.0564 2.0566 2.0663 2.0665 2.1201 2.1201 2.2995 2.2998 2.4681 2.4683 2.6699 2.6699 2.8361 2.8361 2.9440 2.9441 3.2350 3.2351 4.0843 4.0843 4.1234 4.1234 6.2323 6.2323 7.3611 7.3611 7.4121 7.4121 7.6495 7.6495 7.6530 7.6530 7.8191 7.8192 7.8236 7.8236 7.9856 7.9856 k = 0.0000 0.0000 0.0000 ( 37097 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.2022 -8.2022 -7.5074 -7.5074 -7.4630 -7.4630 -7.4623 -7.4623 -7.3997 -7.3997 -7.3979 -7.3979 0.3095 0.3095 0.3276 0.3276 0.9125 0.9125 1.2172 1.2172 1.3422 1.3422 1.4839 1.4839 1.9089 1.9089 2.0581 2.0581 2.0653 2.0653 2.1216 2.1216 2.2982 2.2982 2.4668 2.4668 2.6711 2.6711 2.8333 2.8333 2.9460 2.9460 3.2365 3.2365 4.0882 4.0882 4.1253 4.1253 6.2324 6.2324 7.3620 7.3620 7.4130 7.4130 7.6497 7.6497 7.6532 7.6532 7.8180 7.8180 7.8222 7.8222 7.9834 7.9834 k = 0.0000 0.0000 0.0000 ( 37097 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -8.2022 -8.2022 -7.5074 -7.5074 -7.4630 -7.4630 -7.4623 -7.4623 -7.3997 -7.3997 -7.3979 -7.3979 0.3095 0.3095 0.3276 0.3276 0.9125 0.9125 1.2172 1.2172 1.3422 1.3422 1.4839 1.4839 1.9089 1.9089 2.0581 2.0581 2.0653 2.0653 2.1216 2.1216 2.2982 2.2982 2.4668 2.4668 2.6711 2.6711 2.8333 2.8333 2.9460 2.9460 3.2365 3.2365 4.0882 4.0882 4.1253 4.1253 6.2324 6.2324 7.3620 7.3620 7.4130 7.4130 7.6497 7.6497 7.6532 7.6532 7.8180 7.8180 7.8222 7.8222 7.9834 7.9834 k = 0.0000 0.0000 0.0224 ( 37073 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3289 -22.3289 -22.1857 -22.1857 -8.2015 -8.2015 -7.5082 -7.5082 -7.4629 -7.4629 -7.4622 -7.4622 -7.3997 -7.3997 -7.3980 -7.3980 0.3120 0.3120 0.3286 0.3286 0.9104 0.9131 1.2159 1.2159 1.3314 1.3470 1.4833 1.4833 1.9083 1.9083 2.0136 2.0136 2.1096 2.1096 2.1101 2.1398 2.2984 2.2984 2.4607 2.4750 2.6732 2.6732 2.8333 2.8333 2.9447 2.9447 3.2378 3.2385 4.0868 4.0880 4.1202 4.1202 6.2350 6.2350 7.3609 7.3628 7.4128 7.4128 7.6472 7.6492 7.6517 7.6517 7.8197 7.8205 7.8242 7.8242 7.9839 7.9839 k = 0.0000 0.0000 0.0449 ( 37079 PWs) bands (ev): -43.8849 -43.8849 -43.8715 -43.8715 -41.6163 -41.6163 -41.6144 -41.6144 -22.9276 -22.9276 -22.9235 -22.9235 -22.5018 -22.5018 -22.4769 -22.4769 -22.3285 -22.3285 -22.1862 -22.1862 -8.1996 -8.1996 -7.5108 -7.5108 -7.4627 -7.4627 -7.4620 -7.4620 -7.3999 -7.3999 -7.3982 -7.3981 0.3196 0.3196 0.3317 0.3317 0.9068 0.9121 1.2122 1.2122 1.3152 1.3453 1.4816 1.4816 1.9065 1.9065 1.9662 1.9662 2.1057 2.1566 2.1566 2.1639 2.2992 2.2992 2.4568 2.4851 2.6791 2.6791 2.8334 2.8334 2.9406 2.9406 3.2423 3.2439 4.0837 4.0863 4.1050 4.1050 6.2428 6.2428 7.3596 7.3634 7.4122 7.4122 7.6418 7.6456 7.6473 7.6473 7.8255 7.8272 7.8301 7.8301 7.9850 7.9850 k = 0.0000 0.0000 0.0673 ( 37109 PWs) bands (ev): -43.8848 -43.8848 -43.8715 -43.8715 -41.6163 -41.6163 -41.6145 -41.6145 -22.9276 -22.9276 -22.9235 -22.9235 -22.5017 -22.5017 -22.4770 -22.4770 -22.3278 -22.3278 -22.1870 -22.1870 -8.1964 -8.1964 -7.5152 -7.5152 -7.4623 -7.4623 -7.4616 -7.4616 -7.4002 -7.4002 -7.3985 -7.3984 0.3317 0.3317 0.3372 0.3372 0.9018 0.9096 1.2060 1.2060 1.2947 1.3372 1.4787 1.4787 1.9000 1.9000 1.9233 1.9233 2.1084 2.1928 2.2023 2.2023 2.3005 2.3005 2.4550 2.4969 2.6880 2.6880 2.8342 2.8342 2.9340 2.9340 3.2500 3.2525 4.0791 4.0805 4.0805 4.0830 6.2556 6.2556 7.3579 7.3636 7.4111 7.4111 7.6334 7.6390 7.6399 7.6399 7.8355 7.8380 7.8398 7.8398 7.9864 7.9864 k = 0.0000 0.0000 0.0897 ( 37085 PWs) bands (ev): -43.8847 -43.8847 -43.8716 -43.8716 -41.6162 -41.6162 -41.6145 -41.6145 -22.9275 -22.9275 -22.9235 -22.9235 -22.5015 -22.5015 -22.4772 -22.4772 -22.3268 -22.3268 -22.1882 -22.1882 -8.1919 -8.1919 -7.5212 -7.5212 -7.4618 -7.4618 -7.4611 -7.4611 -7.4006 -7.4006 -7.3989 -7.3988 0.3426 0.3426 0.3510 0.3510 0.8957 0.9057 1.1976 1.1976 1.2707 1.3232 1.4746 1.4746 1.8663 1.8663 1.9076 1.9076 2.1178 2.2255 2.2459 2.2459 2.3028 2.3028 2.4556 2.5102 2.6983 2.6983 2.8364 2.8364 2.9255 2.9255 3.2609 3.2642 4.0475 4.0475 4.0731 4.0783 6.2730 6.2730 7.3559 7.3635 7.4095 7.4095 7.6222 7.6297 7.6298 7.6298 7.8496 7.8530 7.8534 7.8534 7.9873 7.9873 k = 0.0000 0.0000 0.1121 ( 37073 PWs) bands (ev): -43.8846 -43.8846 -43.8718 -43.8718 -41.6162 -41.6162 -41.6145 -41.6145 -22.9274 -22.9274 -22.9234 -22.9234 -22.5013 -22.5013 -22.4774 -22.4774 -22.3255 -22.3255 -22.1896 -22.1896 -8.1861 -8.1861 -7.5288 -7.5288 -7.4611 -7.4611 -7.4604 -7.4604 -7.4011 -7.4011 -7.3994 -7.3994 0.3518 0.3518 0.3735 0.3735 0.8886 0.9004 1.1870 1.1870 1.2441 1.3040 1.4692 1.4692 1.8216 1.8216 1.9038 1.9038 2.1330 2.2609 2.2858 2.2858 2.3070 2.3070 2.4583 2.5247 2.7077 2.7077 2.8410 2.8410 2.9162 2.9162 3.2748 3.2790 4.0071 4.0071 4.0657 4.0722 6.2946 6.2946 7.3535 7.3630 7.4074 7.4074 7.6085 7.6172 7.6172 7.6176 7.8677 7.8707 7.8707 7.8719 7.9868 7.9868 k = 0.0000 0.0000 0.1346 ( 37091 PWs) bands (ev): -43.8845 -43.8845 -43.8719 -43.8719 -41.6162 -41.6162 -41.6145 -41.6145 -22.9272 -22.9272 -22.9234 -22.9234 -22.5010 -22.5010 -22.4777 -22.4777 -22.3240 -22.3240 -22.1914 -22.1914 -8.1791 -8.1791 -7.5381 -7.5381 -7.4603 -7.4603 -7.4596 -7.4595 -7.4017 -7.4017 -7.4000 -7.4000 0.3626 0.3626 0.4010 0.4010 0.8807 0.8939 1.1745 1.1745 1.2157 1.2806 1.4627 1.4627 1.7771 1.7771 1.9011 1.9011 2.1531 2.2980 2.3060 2.3060 2.3281 2.3281 2.4632 2.5401 2.7135 2.7135 2.8478 2.8478 2.9087 2.9087 3.2915 3.2968 3.9609 3.9609 4.0570 4.0649 6.3200 6.3200 7.3507 7.3622 7.4047 7.4047 7.5925 7.6023 7.6023 7.6032 7.8898 7.8917 7.8917 7.8948 7.9836 7.9836 k = 0.0000 0.0000 0.1570 ( 37085 PWs) bands (ev): -43.8843 -43.8843 -43.8721 -43.8721 -41.6162 -41.6162 -41.6145 -41.6145 -22.9271 -22.9271 -22.9234 -22.9234 -22.5006 -22.5006 -22.4781 -22.4781 -22.3222 -22.3222 -22.1934 -22.1934 -8.1709 -8.1709 -7.5489 -7.5489 -7.4593 -7.4593 -7.4586 -7.4585 -7.4025 -7.4025 -7.4008 -7.4007 0.3752 0.3752 0.4334 0.4334 0.8722 0.8864 1.1603 1.1603 1.1862 1.2540 1.4547 1.4547 1.7337 1.7337 1.8991 1.8991 2.1771 2.3115 2.3115 2.3360 2.3602 2.3602 2.4701 2.5561 2.7137 2.7137 2.8529 2.8529 2.9089 2.9089 3.3108 3.3172 3.9103 3.9103 4.0472 4.0565 6.3489 6.3489 7.3475 7.3608 7.4014 7.4014 7.5744 7.5855 7.5855 7.5865 7.9156 7.9160 7.9160 7.9214 7.9767 7.9767 k = 0.0000 0.0000 0.1794 ( 37055 PWs) bands (ev): -43.8841 -43.8841 -43.8723 -43.8723 -41.6162 -41.6162 -41.6146 -41.6146 -22.9269 -22.9269 -22.9234 -22.9234 -22.5003 -22.5002 -22.4785 -22.4785 -22.3201 -22.3201 -22.1957 -22.1957 -8.1614 -8.1614 -7.5612 -7.5612 -7.4582 -7.4582 -7.4575 -7.4574 -7.4033 -7.4033 -7.4017 -7.4016 0.3896 0.3896 0.4705 0.4705 0.8634 0.8782 1.1447 1.1447 1.1561 1.2252 1.4454 1.4454 1.6917 1.6917 1.8979 1.8979 2.2039 2.3166 2.3166 2.3739 2.3878 2.3878 2.4789 2.5723 2.7067 2.7067 2.8523 2.8523 2.9223 2.9223 3.3326 3.3402 3.8569 3.8569 4.0364 4.0471 6.3809 6.3809 7.3438 7.3589 7.3975 7.3975 7.5547 7.5669 7.5669 7.5681 7.9430 7.9430 7.9450 7.9518 7.9659 7.9659 k = 0.0000 0.0000 0.2019 ( 37061 PWs) bands (ev): -43.8838 -43.8838 -43.8725 -43.8725 -41.6161 -41.6161 -41.6146 -41.6146 -22.9268 -22.9268 -22.9234 -22.9234 -22.4998 -22.4998 -22.4789 -22.4789 -22.3177 -22.3177 -22.1983 -22.1983 -8.1508 -8.1508 -7.5749 -7.5749 -7.4570 -7.4570 -7.4562 -7.4562 -7.4043 -7.4043 -7.4026 -7.4026 0.4057 0.4057 0.5120 0.5120 0.8544 0.8694 1.1260 1.1279 1.1279 1.1949 1.4345 1.4346 1.6515 1.6515 1.8980 1.8980 2.2328 2.3219 2.3219 2.4091 2.4091 2.4110 2.4898 2.5885 2.6921 2.6921 2.8493 2.8493 2.9463 2.9463 3.3567 3.3654 3.8026 3.8026 4.0248 4.0369 6.4158 6.4158 7.3396 7.3565 7.3929 7.3929 7.5336 7.5470 7.5470 7.5482 7.9450 7.9450 7.9775 7.9775 7.9780 7.9856 k = 0.0000 0.0000 0.2243 ( 37073 PWs) bands (ev): -43.8836 -43.8836 -43.8728 -43.8728 -41.6161 -41.6161 -41.6146 -41.6146 -22.9266 -22.9266 -22.9233 -22.9233 -22.4993 -22.4993 -22.4794 -22.4794 -22.3152 -22.3152 -22.2012 -22.2012 -8.1391 -8.1391 -7.5899 -7.5899 -7.4556 -7.4556 -7.4549 -7.4548 -7.4054 -7.4054 -7.4037 -7.4036 0.4235 0.4235 0.5579 0.5579 0.8456 0.8603 1.0961 1.1104 1.1104 1.1639 1.4223 1.4223 1.6130 1.6130 1.8996 1.8996 2.2630 2.3269 2.3269 2.4231 2.4231 2.4463 2.5027 2.6041 2.6699 2.6699 2.8483 2.8483 2.9759 2.9759 3.3827 3.3925 3.7489 3.7489 4.0125 4.0261 6.4532 6.4532 7.3348 7.3535 7.3876 7.3876 7.5115 7.5262 7.5262 7.5271 7.9219 7.9219 8.0115 8.0115 8.0143 8.0228 k = 0.0000 0.0000 0.2467 ( 37109 PWs) bands (ev): -43.8833 -43.8833 -43.8731 -43.8731 -41.6160 -41.6160 -41.6147 -41.6147 -22.9264 -22.9264 -22.9233 -22.9233 -22.4988 -22.4988 -22.4799 -22.4799 -22.3123 -22.3123 -22.2044 -22.2044 -8.1262 -8.1262 -7.6060 -7.6060 -7.4542 -7.4542 -7.4534 -7.4533 -7.4065 -7.4065 -7.4049 -7.4048 0.4429 0.4429 0.6078 0.6078 0.8372 0.8512 1.0668 1.0922 1.0922 1.1326 1.4086 1.4086 1.5765 1.5765 1.9028 1.9028 2.2940 2.3311 2.3311 2.4291 2.4291 2.4782 2.5185 2.6190 2.6419 2.6419 2.8505 2.8505 3.0087 3.0087 3.4104 3.4213 3.6974 3.6974 3.9997 4.0146 6.4931 6.4931 7.3296 7.3499 7.3816 7.3816 7.4889 7.5048 7.5048 7.5052 7.8920 7.8920 8.0491 8.0491 8.0537 8.0632 k = 0.0000 0.0000 0.2691 ( 37097 PWs) bands (ev): -43.8830 -43.8830 -43.8734 -43.8734 -41.6160 -41.6160 -41.6147 -41.6147 -22.9262 -22.9262 -22.9233 -22.9233 -22.4983 -22.4983 -22.4805 -22.4805 -22.3093 -22.3093 -22.2077 -22.2077 -8.1123 -8.1123 -7.6234 -7.6234 -7.4526 -7.4526 -7.4518 -7.4517 -7.4078 -7.4078 -7.4062 -7.4061 0.4637 0.4637 0.6614 0.6614 0.8293 0.8422 1.0383 1.0738 1.0738 1.1016 1.3938 1.3938 1.5418 1.5418 1.9078 1.9078 2.3251 2.3335 2.3335 2.4259 2.4259 2.5050 2.5382 2.6113 2.6113 2.6328 2.8546 2.8546 3.0432 3.0432 3.4395 3.4514 3.6497 3.6497 3.9865 4.0028 6.5352 6.5352 7.3239 7.3457 7.3751 7.3751 7.4661 7.4830 7.4833 7.4833 7.8561 7.8561 8.0899 8.0899 8.0961 8.1065 k = 0.0000 0.0000 0.2916 ( 37067 PWs) bands (ev): -43.8827 -43.8827 -43.8737 -43.8737 -41.6160 -41.6160 -41.6148 -41.6148 -22.9260 -22.9260 -22.9233 -22.9233 -22.4977 -22.4977 -22.4811 -22.4811 -22.3060 -22.3060 -22.2113 -22.2113 -8.0973 -8.0973 -7.6417 -7.6417 -7.4510 -7.4510 -7.4501 -7.4500 -7.4092 -7.4092 -7.4076 -7.4075 0.4860 0.4860 0.7183 0.7183 0.8222 0.8337 1.0110 1.0557 1.0557 1.0712 1.3782 1.3782 1.5092 1.5092 1.9147 1.9147 2.3329 2.3329 2.3562 2.4114 2.4114 2.5262 2.5618 2.5834 2.5834 2.6451 2.8589 2.8589 3.0786 3.0786 3.4697 3.4826 3.6069 3.6069 3.9729 3.9905 6.5795 6.5795 7.3179 7.3410 7.3679 7.3679 7.4436 7.4607 7.4620 7.4620 7.8148 7.8148 8.1335 8.1335 8.1412 8.1525 k = 0.0000 0.0000 0.3140 ( 37067 PWs) bands (ev): -43.8823 -43.8823 -43.8741 -43.8741 -41.6159 -41.6159 -41.6148 -41.6148 -22.9258 -22.9258 -22.9233 -22.9233 -22.4970 -22.4970 -22.4817 -22.4817 -22.3025 -22.3025 -22.2151 -22.2151 -8.0813 -8.0813 -7.6610 -7.6610 -7.4492 -7.4492 -7.4483 -7.4482 -7.4106 -7.4106 -7.4091 -7.4090 0.5095 0.5095 0.7774 0.7774 0.8160 0.8258 0.9849 1.0385 1.0385 1.0418 1.3622 1.3622 1.4786 1.4786 1.9233 1.9233 2.3274 2.3274 2.3835 2.3835 2.3868 2.5442 2.5637 2.5637 2.5862 2.6556 2.8613 2.8613 3.1143 3.1143 3.5006 3.5145 3.5700 3.5700 3.9591 3.9778 6.6259 6.6259 7.3117 7.3358 7.3603 7.3603 7.4217 7.4387 7.4413 7.4413 7.7689 7.7689 8.1798 8.1798 8.1889 8.2011 k = 0.0000 0.0000 0.3364 ( 37067 PWs) bands (ev): -43.8820 -43.8820 -43.8744 -43.8744 -41.6159 -41.6159 -41.6148 -41.6148 -22.9255 -22.9255 -22.9233 -22.9233 -22.4964 -22.4964 -22.4824 -22.4824 -22.2989 -22.2989 -22.2190 -22.2190 -8.0644 -8.0644 -7.6810 -7.6810 -7.4474 -7.4474 -7.4465 -7.4464 -7.4122 -7.4122 -7.4107 -7.4105 0.5342 0.5342 0.8110 0.8187 0.8366 0.8366 0.9602 1.0136 1.0242 1.0242 1.3463 1.3463 1.4500 1.4500 1.9331 1.9331 2.3116 2.3116 2.3470 2.3470 2.4167 2.5550 2.5551 2.5608 2.6091 2.6641 2.8605 2.8605 3.1498 3.1498 3.5320 3.5393 3.5393 3.5467 3.9450 3.9648 6.6742 6.6742 7.3055 7.3302 7.3524 7.3524 7.4008 7.4174 7.4215 7.4215 7.7190 7.7190 8.2284 8.2284 8.2389 8.2519 k = 0.0000 0.0000 0.3589 ( 37085 PWs) bands (ev): -43.8816 -43.8816 -43.8748 -43.8748 -41.6158 -41.6158 -41.6149 -41.6149 -22.9253 -22.9253 -22.9234 -22.9234 -22.4957 -22.4957 -22.4831 -22.4831 -22.2950 -22.2950 -22.2232 -22.2232 -8.0467 -8.0467 -7.7018 -7.7018 -7.4455 -7.4455 -7.4446 -7.4444 -7.4138 -7.4138 -7.4123 -7.4122 0.5600 0.5600 0.8072 0.8126 0.8890 0.8890 0.9371 0.9868 1.0193 1.0193 1.3310 1.3310 1.4238 1.4238 1.9436 1.9436 2.2703 2.2703 2.3207 2.3207 2.4457 2.5559 2.5559 2.5768 2.6293 2.6704 2.8555 2.8555 3.1848 3.1848 3.5145 3.5145 3.5635 3.5790 3.9305 3.9512 6.7244 6.7244 7.2995 7.3244 7.3445 7.3445 7.3813 7.3970 7.4029 7.4029 7.6658 7.6658 8.2793 8.2793 8.2908 8.3047 k = 0.0000 0.0000 0.3813 ( 37032 PWs) bands (ev): -43.8812 -43.8812 -43.8752 -43.8752 -41.6158 -41.6158 -41.6149 -41.6149 -22.9251 -22.9251 -22.9234 -22.9234 -22.4949 -22.4949 -22.4838 -22.4838 -22.2910 -22.2910 -22.2274 -22.2274 -8.0281 -8.0281 -7.7232 -7.7232 -7.4435 -7.4435 -7.4426 -7.4425 -7.4155 -7.4155 -7.4140 -7.4139 0.5865 0.5865 0.8048 0.8077 0.9156 0.9169 0.9169 0.9615 1.0410 1.0410 1.3167 1.3167 1.4001 1.4001 1.9532 1.9532 2.2119 2.2119 2.3017 2.3017 2.4736 2.5637 2.5637 2.5924 2.6463 2.6741 2.8460 2.8460 3.2188 3.2188 3.4950 3.4950 3.5948 3.6111 3.9157 3.9371 6.7764 6.7764 7.2939 7.3186 7.3367 7.3367 7.3634 7.3777 7.3858 7.3858 7.6099 7.6099 8.3319 8.3319 8.3445 8.3590 k = 0.0000 0.0000 0.4037 ( 37032 PWs) bands (ev): -43.8808 -43.8808 -43.8756 -43.8756 -41.6157 -41.6157 -41.6150 -41.6150 -22.9249 -22.9249 -22.9234 -22.9234 -22.4942 -22.4942 -22.4846 -22.4846 -22.2868 -22.2868 -22.2318 -22.2318 -8.0087 -8.0087 -7.7450 -7.7450 -7.4415 -7.4415 -7.4405 -7.4404 -7.4173 -7.4173 -7.4159 -7.4157 0.6138 0.6138 0.8040 0.8041 0.8958 0.9150 0.9150 0.9379 1.0936 1.0936 1.3040 1.3040 1.3798 1.3798 1.9576 1.9576 2.1518 2.1518 2.2819 2.2819 2.5004 2.5764 2.5764 2.6074 2.6600 2.6753 2.8324 2.8324 3.2515 3.2515 3.4796 3.4796 3.6257 3.6426 3.9003 3.9222 6.8301 6.8301 7.2891 7.3130 7.3294 7.3294 7.3473 7.3598 7.3702 7.3702 7.5520 7.5520 8.3858 8.3858 8.3993 8.4145 k = 0.0000 0.0000 0.4261 ( 37044 PWs) bands (ev): -43.8804 -43.8804 -43.8760 -43.8760 -41.6156 -41.6156 -41.6151 -41.6151 -22.9247 -22.9247 -22.9235 -22.9235 -22.4934 -22.4934 -22.4853 -22.4853 -22.2825 -22.2825 -22.2363 -22.2363 -7.9887 -7.9887 -7.7673 -7.7673 -7.4395 -7.4395 -7.4385 -7.4383 -7.4191 -7.4191 -7.4177 -7.4176 0.6416 0.6416 0.8020 0.8048 0.8779 0.8999 0.8999 0.9161 1.1587 1.1587 1.2932 1.2932 1.3645 1.3645 1.9460 1.9460 2.1039 2.1039 2.2606 2.2606 2.5257 2.5927 2.5927 2.6217 2.6702 2.6738 2.8152 2.8152 3.2825 3.2825 3.4668 3.4668 3.6557 3.6734 3.8842 3.9064 6.8854 6.8854 7.2853 7.3077 7.3228 7.3228 7.3334 7.3435 7.3564 7.3564 7.4928 7.4928 8.4406 8.4406 8.4549 8.4705 k = 0.0000 0.0000 0.4486 ( 37038 PWs) bands (ev): -43.8799 -43.8799 -43.8764 -43.8764 -41.6156 -41.6156 -41.6151 -41.6151 -22.9245 -22.9245 -22.9235 -22.9235 -22.4926 -22.4926 -22.4861 -22.4861 -22.2781 -22.2781 -22.2409 -22.2409 -7.9680 -7.9680 -7.7898 -7.7898 -7.4374 -7.4374 -7.4364 -7.4362 -7.4210 -7.4210 -7.4197 -7.4195 0.6698 0.6698 0.8015 0.8073 0.8618 0.8798 0.8798 0.8962 1.2222 1.2222 1.2847 1.2847 1.3597 1.3597 1.9043 1.9043 2.0842 2.0842 2.2380 2.2380 2.5496 2.6115 2.6115 2.6350 2.6697 2.6770 2.7952 2.7952 3.3114 3.3114 3.4554 3.4554 3.6848 3.7031 3.8673 3.8896 6.9421 6.9421 7.2827 7.3032 7.3169 7.3169 7.3216 7.3289 7.3443 7.3443 7.4330 7.4330 8.4954 8.4954 8.5106 8.5263 k = 0.0000 0.0000 0.4710 ( 37044 PWs) bands (ev): -43.8795 -43.8795 -43.8769 -43.8769 -41.6155 -41.6155 -41.6152 -41.6152 -22.9244 -22.9244 -22.9236 -22.9236 -22.4918 -22.4918 -22.4869 -22.4869 -22.2736 -22.2736 -22.2456 -22.2456 -7.9468 -7.9468 -7.8125 -7.8125 -7.4354 -7.4354 -7.4342 -7.4341 -7.4230 -7.4230 -7.4217 -7.4215 0.6980 0.6980 0.8026 0.8116 0.8476 0.8573 0.8573 0.8782 1.2646 1.2646 1.2789 1.2789 1.3820 1.3820 1.8380 1.8380 2.0881 2.0881 2.2145 2.2145 2.5718 2.6323 2.6323 2.6472 2.6628 2.6806 2.7732 2.7732 3.3380 3.3380 3.4442 3.4442 3.7127 3.7317 3.8494 3.8716 7.0001 7.0001 7.2817 7.2996 7.3107 7.3107 7.3122 7.3161 7.3336 7.3336 7.3748 7.3748 8.5493 8.5493 8.5654 8.5811 k = 0.0000 0.0000 0.4934 ( 37080 PWs) bands (ev): -43.8791 -43.8791 -43.8773 -43.8773 -41.6155 -41.6155 -41.6152 -41.6152 -22.9242 -22.9242 -22.9237 -22.9237 -22.4910 -22.4910 -22.4877 -22.4877 -22.2690 -22.2690 -22.2503 -22.2503 -7.9251 -7.9251 -7.8352 -7.8352 -7.4333 -7.4333 -7.4321 -7.4320 -7.4250 -7.4250 -7.4237 -7.4236 0.7261 0.7261 0.8054 0.8178 0.8331 0.8331 0.8354 0.8622 1.2733 1.2733 1.2782 1.2782 1.4406 1.4406 1.7609 1.7609 2.1027 2.1027 2.1907 2.1907 2.5923 2.6534 2.6546 2.6546 2.6580 2.6812 2.7499 2.7499 3.3620 3.3620 3.4320 3.4320 3.7392 3.7589 3.8302 3.8521 7.0592 7.0592 7.2825 7.2912 7.2912 7.2972 7.3050 7.3053 7.3228 7.3228 7.3335 7.3335 8.6011 8.6011 8.6184 8.6335 k = 0.0000 0.0000 0.5158 ( 37056 PWs) bands (ev): -43.8786 -43.8786 -43.8777 -43.8777 -41.6154 -41.6154 -41.6153 -41.6153 -22.9241 -22.9241 -22.9238 -22.9238 -22.4902 -22.4902 -22.4886 -22.4885 -22.2644 -22.2644 -22.2550 -22.2550 -7.9030 -7.9030 -7.8580 -7.8580 -7.4312 -7.4312 -7.4300 -7.4299 -7.4270 -7.4270 -7.4258 -7.4256 0.7539 0.7539 0.8076 0.8076 0.8101 0.8250 0.8259 0.8481 1.2729 1.2729 1.2768 1.2768 1.5162 1.5162 1.6795 1.6795 2.1221 2.1221 2.1669 2.1669 2.6108 2.6415 2.6670 2.6778 2.6778 2.6789 2.7260 2.7260 3.3834 3.3834 3.4181 3.4181 3.7642 3.7846 3.8097 3.8312 7.1192 7.1192 7.2391 7.2391 7.2852 7.2963 7.2965 7.3000 7.3178 7.3178 7.3230 7.3230 8.6492 8.6492 8.6682 8.6822 k = 0.0000 0.0000 0.5383 ( 37074 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8806 -7.8806 -7.8806 -7.8806 -7.4291 -7.4291 -7.4291 -7.4291 -7.4279 -7.4279 -7.4277 -7.4277 0.7812 0.7812 0.7812 0.7812 0.8166 0.8166 0.8360 0.8360 1.2742 1.2742 1.2742 1.2742 1.5971 1.5971 1.5971 1.5971 2.1439 2.1439 2.1439 2.1439 2.6273 2.6273 2.6741 2.6741 2.7018 2.7018 2.7018 2.7018 3.4020 3.4020 3.4020 3.4020 3.7877 3.7877 3.8087 3.8087 7.1795 7.1795 7.1795 7.1795 7.2898 7.2898 7.2972 7.2972 7.3187 7.3187 7.3187 7.3187 8.6918 8.6918 8.6918 8.6918 k = 0.0000 0.0000 0.5383 ( 37074 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8806 -7.8806 -7.8806 -7.8806 -7.4291 -7.4291 -7.4291 -7.4291 -7.4279 -7.4279 -7.4277 -7.4277 0.7812 0.7812 0.7812 0.7812 0.8166 0.8166 0.8360 0.8360 1.2742 1.2742 1.2742 1.2742 1.5971 1.5971 1.5971 1.5971 2.1439 2.1439 2.1439 2.1439 2.6273 2.6273 2.6741 2.6741 2.7018 2.7018 2.7018 2.7018 3.4020 3.4020 3.4020 3.4020 3.7877 3.7877 3.8087 3.8087 7.1795 7.1795 7.1795 7.1795 7.2898 7.2898 7.2972 7.2972 7.3187 7.3187 7.3187 7.3187 8.6918 8.6918 8.6918 8.6918 k = 0.0200 0.0115 0.5383 ( 37070 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8801 -7.8801 -7.8801 -7.8801 -7.4294 -7.4294 -7.4294 -7.4293 -7.4281 -7.4281 -7.4280 -7.4280 0.7716 0.7733 0.7733 0.7747 0.8231 0.8233 0.8410 0.8412 1.2767 1.2768 1.2782 1.2782 1.5957 1.5958 1.5979 1.5979 2.1424 2.1426 2.1496 2.1497 2.6270 2.6270 2.6731 2.6732 2.7000 2.7006 2.7036 2.7043 3.3999 3.3999 3.4016 3.4017 3.7857 3.7857 3.8067 3.8068 7.1788 7.1789 7.1798 7.1799 7.2902 7.2903 7.2975 7.2976 7.3183 7.3184 7.3199 7.3199 8.6875 8.6881 8.6901 8.6904 k = 0.0400 0.0231 0.5383 ( 37078 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8788 -7.8788 -7.8788 -7.8788 -7.4303 -7.4302 -7.4302 -7.4302 -7.4289 -7.4289 -7.4288 -7.4287 0.7529 0.7566 0.7567 0.7588 0.8337 0.8351 0.8508 0.8518 1.2857 1.2864 1.2886 1.2887 1.5937 1.5938 1.5979 1.5981 2.1452 2.1457 2.1596 2.1601 2.6260 2.6261 2.6702 2.6706 2.6983 2.7005 2.7056 2.7081 3.3954 3.3955 3.3988 3.3993 3.7798 3.7800 3.8010 3.8013 7.1779 7.1781 7.1798 7.1801 7.2910 7.2916 7.2980 7.2985 7.3186 7.3193 7.3218 7.3222 8.6761 8.6788 8.6826 8.6834 k = 0.0600 0.0346 0.5383 ( 37056 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8765 -7.8765 -7.8765 -7.8765 -7.4319 -7.4318 -7.4317 -7.4316 -7.4301 -7.4301 -7.4300 -7.4298 0.7313 0.7366 0.7379 0.7392 0.8423 0.8461 0.8601 0.8622 1.3011 1.3028 1.3049 1.3055 1.5911 1.5913 1.5973 1.5976 2.1520 2.1532 2.1738 2.1747 2.6245 2.6248 2.6657 2.6670 2.6966 2.7009 2.7076 2.7129 3.3883 3.3888 3.3934 3.3949 3.7701 3.7708 3.7915 3.7925 7.1767 7.1772 7.1795 7.1801 7.2917 7.2935 7.2982 7.2997 7.3197 7.3219 7.3247 7.3259 8.6575 8.6634 8.6686 8.6697 k = 0.0800 0.0462 0.5383 ( 37028 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8734 -7.8733 -7.8733 -7.8733 -7.4342 -7.4342 -7.4339 -7.4338 -7.4317 -7.4317 -7.4314 -7.4313 0.7090 0.7157 0.7184 0.7185 0.8476 0.8551 0.8671 0.8705 1.3224 1.3255 1.3265 1.3282 1.5878 1.5882 1.5959 1.5966 2.1624 2.1647 2.1917 2.1933 2.6224 2.6230 2.6599 2.6630 2.6951 2.7013 2.7098 2.7185 3.3787 3.3801 3.3855 3.3886 3.7568 3.7586 3.7784 3.7809 7.1754 7.1761 7.1789 7.1799 7.2917 7.2952 7.2973 7.3006 7.3221 7.3265 7.3288 7.3313 8.6329 8.6417 8.6479 8.6488 k = 0.1000 0.0577 0.5383 ( 37048 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8693 -7.8693 -7.8693 -7.8693 -7.4373 -7.4372 -7.4369 -7.4368 -7.4335 -7.4335 -7.4332 -7.4330 0.6867 0.6948 0.6975 0.6994 0.8496 0.8617 0.8714 0.8760 1.3491 1.3530 1.3538 1.3563 1.5837 1.5844 1.5936 1.5950 2.1759 2.1798 2.2130 2.2154 2.6198 2.6211 2.6529 2.6588 2.6936 2.7018 2.7121 2.7249 3.3663 3.3694 3.3750 3.3808 3.7404 3.7438 3.7621 3.7670 7.1740 7.1749 7.1780 7.1795 7.2908 7.2954 7.2957 7.3006 7.3262 7.3328 7.3342 7.3381 8.6040 8.6151 8.6220 8.6221 k = 0.1200 0.0693 0.5383 ( 37052 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8644 -7.8644 -7.8644 -7.8644 -7.4411 -7.4410 -7.4407 -7.4405 -7.4356 -7.4356 -7.4352 -7.4350 0.6652 0.6746 0.6772 0.6809 0.8489 0.8661 0.8732 0.8791 1.3801 1.3833 1.3864 1.3889 1.5789 1.5800 1.5908 1.5932 2.1917 2.1980 2.2371 2.2403 2.6170 2.6189 2.6448 2.6547 2.6923 2.7021 2.7147 2.7320 3.3514 3.3569 3.3620 3.3718 3.7212 3.7269 3.7430 3.7513 7.1725 7.1737 7.1771 7.1789 7.2889 7.2925 7.2947 7.2996 7.3320 7.3402 7.3408 7.3461 8.5721 8.5851 8.5914 8.5927 k = 0.1400 0.0808 0.5383 ( 37036 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8587 -7.8587 -7.8587 -7.8586 -7.4456 -7.4455 -7.4451 -7.4449 -7.4379 -7.4379 -7.4375 -7.4373 0.6446 0.6555 0.6579 0.6634 0.8462 0.8688 0.8731 0.8802 1.4141 1.4166 1.4214 1.4249 1.5735 1.5751 1.5878 1.5921 2.2091 2.2187 2.2633 2.2674 2.6141 2.6169 2.6355 2.6509 2.6912 2.7026 2.7177 2.7399 3.3340 3.3430 3.3466 3.3618 3.6996 3.7086 3.7214 3.7344 7.1710 7.1725 7.1762 7.1783 7.2861 7.2886 7.2921 7.2975 7.3389 7.3479 7.3483 7.3546 8.5384 8.5529 8.5583 8.5612 k = 0.1600 0.0924 0.5383 ( 37032 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8521 -7.8521 -7.8521 -7.8521 -7.4509 -7.4507 -7.4503 -7.4501 -7.4404 -7.4404 -7.4400 -7.4398 0.6254 0.6377 0.6397 0.6469 0.8425 0.8702 0.8719 0.8801 1.4490 1.4513 1.4559 1.4624 1.5685 1.5705 1.5859 1.5935 2.2271 2.2412 2.2905 2.2956 2.6116 2.6150 2.6252 2.6476 2.6904 2.7036 2.7212 2.7488 3.3144 3.3279 3.3292 3.3513 3.6761 3.6894 3.6978 3.7168 7.1695 7.1713 7.1753 7.1777 7.2823 7.2838 7.2881 7.2942 7.3462 7.3552 7.3566 7.3631 8.5039 8.5197 8.5239 8.5285 k = 0.1800 0.1039 0.5383 ( 37032 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8448 -7.8448 -7.8448 -7.8447 -7.4569 -7.4567 -7.4563 -7.4561 -7.4431 -7.4431 -7.4426 -7.4424 0.6076 0.6212 0.6229 0.6316 0.8384 0.8702 0.8711 0.8793 1.4802 1.4838 1.4844 1.4970 1.5675 1.5690 1.5887 1.6019 2.2448 2.2649 2.3178 2.3238 2.6099 2.6135 2.6137 2.6448 2.6900 2.7055 2.7255 2.7589 3.2928 3.3100 3.3120 3.3408 3.6512 3.6696 3.6725 3.6990 7.1681 7.1702 7.1746 7.1771 7.2776 7.2781 7.2829 7.2899 7.3534 7.3623 7.3645 7.3713 8.4693 8.4862 8.4890 8.4956 k = 0.2000 0.1155 0.5383 ( 37048 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8367 -7.8367 -7.8367 -7.8366 -7.4635 -7.4633 -7.4629 -7.4627 -7.4459 -7.4458 -7.4454 -7.4452 0.5913 0.6060 0.6074 0.6173 0.8347 0.8686 0.8718 0.8786 1.4999 1.5004 1.5050 1.5155 1.5789 1.5828 1.6035 1.6233 2.2612 2.2890 2.3437 2.3506 2.6012 2.6096 2.6125 2.6425 2.6903 2.7094 2.7308 2.7704 3.2698 3.2895 3.2957 3.3308 3.6252 3.6460 3.6497 3.6813 7.1667 7.1692 7.1741 7.1766 7.2715 7.2722 7.2765 7.2845 7.3600 7.3686 7.3717 7.3786 8.4353 8.4533 8.4545 8.4630 k = 0.2200 0.1270 0.5383 ( 37056 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8279 -7.8279 -7.8279 -7.8278 -7.4709 -7.4707 -7.4703 -7.4701 -7.4487 -7.4487 -7.4482 -7.4480 0.5765 0.5922 0.5932 0.6041 0.8322 0.8678 0.8730 0.8787 1.5028 1.5035 1.5075 1.5132 1.6068 1.6184 1.6338 1.6578 2.2753 2.3128 2.3665 2.3747 2.5877 2.6113 2.6121 2.6403 2.6921 2.7165 2.7372 2.7834 3.2459 3.2683 3.2795 3.3219 3.5985 3.6185 3.6299 3.6640 7.1654 7.1682 7.1738 7.1762 7.2641 7.2661 7.2692 7.2784 7.3657 7.3739 7.3779 7.3848 8.4024 8.4209 8.4214 8.4314 k = 0.2400 0.1386 0.5383 ( 37050 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8185 -7.8185 -7.8184 -7.8183 -7.4790 -7.4787 -7.4783 -7.4782 -7.4516 -7.4515 -7.4511 -7.4509 0.5632 0.5797 0.5803 0.5918 0.8313 0.8684 0.8751 0.8799 1.4962 1.4963 1.4986 1.5019 1.6451 1.6617 1.6741 1.7001 2.2865 2.3358 2.3846 2.3948 2.5731 2.6123 2.6150 2.6375 2.6961 2.7281 2.7448 2.7981 3.2218 3.2468 3.2640 3.3147 3.5713 3.5902 3.6103 3.6473 7.1640 7.1672 7.1736 7.1758 7.2562 7.2596 7.2611 7.2717 7.3700 7.3778 7.3828 7.3895 8.3713 8.3888 8.3911 8.4012 k = 0.2600 0.1501 0.5383 ( 37040 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8084 -7.8084 -7.8084 -7.8083 -7.4876 -7.4874 -7.4870 -7.4869 -7.4544 -7.4544 -7.4539 -7.4537 0.5513 0.5683 0.5686 0.5803 0.8324 0.8707 0.8784 0.8828 1.4828 1.4845 1.4847 1.4866 1.6869 1.7073 1.7190 1.7460 2.2943 2.3572 2.3969 2.4101 2.5578 2.6127 2.6201 2.6337 2.7038 2.7448 2.7537 2.8144 3.1980 3.2257 3.2495 3.3098 3.5439 3.5614 3.5910 3.6311 7.1624 7.1661 7.1734 7.1752 7.2480 7.2528 7.2530 7.2647 7.3729 7.3803 7.3862 7.3926 8.3422 8.3588 8.3628 8.3728 k = 0.2800 0.1617 0.5383 ( 37030 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.7978 -7.7978 -7.7977 -7.7976 -7.4970 -7.4967 -7.4963 -7.4962 -7.4571 -7.4571 -7.4567 -7.4565 0.5407 0.5580 0.5580 0.5695 0.8360 0.8751 0.8832 0.8876 1.4656 1.4672 1.4686 1.4695 1.7300 1.7535 1.7659 1.7930 2.2986 2.3767 2.4030 2.4207 2.5418 2.6133 2.6248 2.6285 2.7166 2.7637 2.7664 2.8324 3.1753 3.2055 3.2367 3.3076 3.5166 3.5323 3.5720 3.6157 7.1603 7.1645 7.1727 7.1741 7.2402 7.2447 7.2466 7.2578 7.3743 7.3812 7.3879 7.3940 8.3157 8.3312 8.3368 8.3466 k = 0.3000 0.1732 0.5383 ( 37054 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.7867 -7.7867 -7.7866 -7.7865 -7.5068 -7.5065 -7.5062 -7.5061 -7.4598 -7.4598 -7.4594 -7.4592 0.5314 0.5484 0.5486 0.5593 0.8421 0.8818 0.8898 0.8946 1.4454 1.4474 1.4484 1.4518 1.7730 1.7993 1.8134 1.8399 2.2995 2.3939 2.4034 2.4271 2.5255 2.6138 2.6219 2.6277 2.7346 2.7743 2.7916 2.8516 3.1544 3.1868 3.2261 3.3085 3.4895 3.5030 3.5534 3.6008 7.1575 7.1621 7.1711 7.1720 7.2333 7.2376 7.2411 7.2515 7.3741 7.3806 7.3881 7.3935 8.2920 8.3063 8.3135 8.3228 k = 0.3200 0.1848 0.5383 ( 37074 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.7752 -7.7751 -7.7751 -7.7749 -7.5172 -7.5169 -7.5165 -7.5165 -7.4623 -7.4623 -7.4620 -7.4618 0.5232 0.5398 0.5402 0.5497 0.8508 0.8910 0.8982 0.9040 1.4229 1.4257 1.4261 1.4320 1.8155 1.8442 1.8607 1.8856 2.2972 2.3990 2.4086 2.4301 2.5092 2.6138 2.6141 2.6287 2.7565 2.7851 2.8189 2.8718 3.1362 3.1701 3.2182 3.3126 3.4629 3.4737 3.5350 3.5865 7.1537 7.1588 7.1679 7.1683 7.2283 7.2322 7.2368 7.2465 7.3725 7.3785 7.3866 7.3913 8.2712 8.2845 8.2931 8.3017 k = 0.3400 0.1963 0.5383 ( 37088 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.7633 -7.7633 -7.7632 -7.7630 -7.5280 -7.5276 -7.5273 -7.5273 -7.4647 -7.4647 -7.4644 -7.4642 0.5162 0.5320 0.5326 0.5408 0.8621 0.9027 0.9084 0.9156 1.3986 1.4022 1.4025 1.4106 1.8569 1.8878 1.9073 1.9293 2.2922 2.3909 2.4204 2.4305 2.4937 2.6045 2.6141 2.6280 2.7798 2.7956 2.8466 2.8923 3.1216 3.1559 3.2131 3.3195 3.4372 3.4447 3.5169 3.5727 7.1488 7.1542 7.1628 7.1628 7.2256 7.2294 7.2341 7.2430 7.3695 7.3750 7.3836 7.3876 8.2537 8.2659 8.2756 8.2834 k = 0.3600 0.2078 0.5383 ( 37074 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.7513 -7.7512 -7.7511 -7.7509 -7.5391 -7.5387 -7.5384 -7.5384 -7.4668 -7.4668 -7.4665 -7.4664 0.5102 0.5252 0.5258 0.5325 0.8757 0.9167 0.9201 0.9295 1.3728 1.3769 1.3782 1.3880 1.8968 1.9296 1.9526 1.9701 2.2848 2.3798 2.4287 2.4293 2.4803 2.5941 2.6137 2.6263 2.8024 2.8055 2.8729 2.9123 3.1115 3.1446 3.2109 3.3283 3.4129 3.4170 3.4989 3.5593 7.1430 7.1485 7.1557 7.1559 7.2253 7.2291 7.2332 7.2413 7.3654 7.3705 7.3794 7.3825 8.2394 8.2507 8.2613 8.2678 k = 0.3800 0.2194 0.5383 ( 37086 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.7392 -7.7391 -7.7390 -7.7388 -7.5504 -7.5499 -7.5498 -7.5497 -7.4687 -7.4687 -7.4685 -7.4683 0.5052 0.5192 0.5198 0.5249 0.8913 0.9328 0.9329 0.9452 1.3460 1.3507 1.3535 1.3647 1.9347 1.9693 1.9963 2.0071 2.2755 2.3661 2.4268 2.4316 2.4717 2.5827 2.6130 2.6239 2.8145 2.8223 2.8968 2.9309 3.1070 3.1369 3.2113 3.3355 3.3907 3.3936 3.4810 3.5460 7.1366 7.1420 7.1476 7.1479 7.2270 7.2308 7.2339 7.2412 7.3605 7.3651 7.3741 7.3762 8.2284 8.2389 8.2501 8.2551 k = 0.4000 0.2309 0.5383 ( 37092 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.7272 -7.7271 -7.7269 -7.7267 -7.5616 -7.5612 -7.5611 -7.5609 -7.4704 -7.4704 -7.4702 -7.4700 0.5013 0.5141 0.5147 0.5180 0.9084 0.9464 0.9506 0.9623 1.3191 1.3243 1.3292 1.3413 1.9701 2.0067 2.0377 2.0392 2.2646 2.3502 2.4236 2.4275 2.4705 2.5704 2.6122 2.6212 2.8225 2.8379 2.9174 2.9469 3.1088 3.1333 3.2129 3.3303 3.3720 3.3846 3.4631 3.5328 7.1301 7.1353 7.1394 7.1396 7.2300 7.2340 7.2359 7.2424 7.3552 7.3595 7.3681 7.3693 8.2205 8.2304 8.2418 8.2451 k = 0.4200 0.2425 0.5383 ( 37104 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.7156 -7.7156 -7.7153 -7.7151 -7.5726 -7.5721 -7.5721 -7.5719 -7.4718 -7.4717 -7.4716 -7.4715 0.4985 0.5099 0.5104 0.5120 0.9262 0.9595 0.9694 0.9801 1.2930 1.2983 1.3065 1.3187 2.0027 2.0414 2.0652 2.0762 2.2527 2.3322 2.4198 2.4200 2.4745 2.5576 2.6115 2.6184 2.8298 2.8484 2.9344 2.9595 3.1172 3.1343 3.2137 3.3093 3.3586 3.3930 3.4452 3.5193 7.1241 7.1288 7.1317 7.1318 7.2338 7.2379 7.2387 7.2443 7.3499 7.3539 7.3618 7.3620 8.2157 8.2252 8.2364 8.2374 k = 0.4400 0.2540 0.5383 ( 37094 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.7050 -7.7049 -7.7046 -7.7044 -7.5829 -7.5824 -7.5823 -7.5821 -7.4729 -7.4728 -7.4727 -7.4726 0.4966 0.5067 0.5069 0.5071 0.9438 0.9711 0.9881 0.9973 1.2689 1.2741 1.2866 1.2979 2.0318 2.0732 2.0840 2.1106 2.2408 2.3123 2.4126 2.4161 2.4807 2.5445 2.6108 2.6159 2.8363 2.8541 2.9479 2.9680 3.1317 3.1400 3.2110 3.2826 3.3525 3.4081 3.4274 3.5053 7.1191 7.1233 7.1248 7.1253 7.2380 7.2419 7.2419 7.2464 7.3451 7.3489 7.3549 7.3557 8.2137 8.2229 8.2317 8.2332 k = 0.4600 0.2656 0.5383 ( 37092 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6959 -7.6959 -7.6954 -7.6953 -7.5916 -7.5913 -7.5909 -7.5908 -7.4737 -7.4736 -7.4736 -7.4734 0.4958 0.5027 0.5043 0.5046 0.9599 0.9795 1.0050 1.0121 1.2490 1.2533 1.2714 1.2803 2.0567 2.0945 2.1017 2.1376 2.2317 2.2907 2.4078 2.4123 2.4884 2.5315 2.6104 2.6138 2.8421 2.8558 2.9583 2.9724 3.1499 3.1511 3.2033 3.2546 3.3545 3.4097 3.4251 3.4907 7.1155 7.1190 7.1193 7.1202 7.2420 7.2450 7.2453 7.2480 7.3416 7.3452 7.3485 7.3502 8.2140 8.2231 8.2272 8.2314 k = 0.4800 0.2771 0.5383 ( 37076 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6896 -7.6896 -7.6890 -7.6889 -7.5977 -7.5975 -7.5970 -7.5969 -7.4741 -7.4741 -7.4740 -7.4740 0.4960 0.4994 0.5030 0.5031 0.9728 0.9832 1.0180 1.0219 1.2358 1.2383 1.2625 1.2675 2.0766 2.0965 2.1260 2.1501 2.2324 2.2682 2.4058 2.4088 2.4974 2.5191 2.6105 2.6121 2.8473 2.8546 2.9659 2.9732 3.1628 3.1742 3.1914 3.2267 3.3634 3.3925 3.4423 3.4754 7.1136 7.1155 7.1164 7.1170 7.2454 7.2473 7.2476 7.2485 7.3400 7.3434 7.3436 7.3460 8.2162 8.2233 8.2251 8.2299 k = 0.5000 0.2887 0.5383 ( 37068 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6873 -7.6873 -7.6866 -7.6866 -7.5999 -7.5999 -7.5992 -7.5992 -7.4743 -7.4743 -7.4742 -7.4742 0.4972 0.4972 0.5025 0.5025 0.9810 0.9810 1.0241 1.0241 1.2319 1.2319 1.2612 1.2612 2.0902 2.0902 2.1440 2.1440 2.2469 2.2469 2.4064 2.4064 2.5076 2.5076 2.6110 2.6110 2.8516 2.8516 2.9709 2.9709 3.1772 3.1772 3.1997 3.1997 3.3767 3.3767 3.4592 3.4592 7.1135 7.1135 7.1157 7.1157 7.2477 7.2477 7.2483 7.2483 7.3406 7.3406 7.3436 7.3436 8.2195 8.2195 8.2277 8.2277 k = 0.5000 0.2887 0.5383 ( 37068 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6873 -7.6873 -7.6866 -7.6866 -7.5999 -7.5999 -7.5992 -7.5992 -7.4743 -7.4743 -7.4742 -7.4742 0.4972 0.4972 0.5025 0.5025 0.9810 0.9810 1.0241 1.0241 1.2319 1.2319 1.2612 1.2612 2.0902 2.0902 2.1440 2.1440 2.2469 2.2469 2.4064 2.4064 2.5076 2.5076 2.6110 2.6110 2.8516 2.8516 2.9709 2.9709 3.1772 3.1772 3.1997 3.1997 3.3767 3.3767 3.4592 3.4592 7.1135 7.1135 7.1157 7.1157 7.2477 7.2477 7.2483 7.2483 7.3406 7.3406 7.3436 7.3436 8.2195 8.2195 8.2277 8.2277 k = 0.4889 0.3079 0.5383 ( 37072 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6870 -7.6870 -7.6863 -7.6863 -7.5998 -7.5998 -7.5991 -7.5991 -7.4747 -7.4747 -7.4746 -7.4746 0.4987 0.4987 0.5040 0.5040 0.9797 0.9797 1.0225 1.0225 1.2307 1.2307 1.2601 1.2601 2.0901 2.0901 2.1455 2.1455 2.2476 2.2476 2.4062 2.4062 2.5062 2.5062 2.6122 2.6122 2.8512 2.8512 2.9719 2.9719 3.1759 3.1759 3.2023 3.2023 3.3771 3.3771 3.4591 3.4591 7.1127 7.1127 7.1159 7.1159 7.2460 7.2460 7.2495 7.2495 7.3399 7.3399 7.3437 7.3437 8.2192 8.2192 8.2274 8.2274 k = 0.4778 0.3272 0.5383 ( 37084 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6862 -7.6862 -7.6855 -7.6855 -7.5993 -7.5993 -7.5986 -7.5986 -7.4761 -7.4761 -7.4759 -7.4759 0.5031 0.5031 0.5085 0.5085 0.9761 0.9761 1.0177 1.0177 1.2270 1.2270 1.2569 1.2569 2.0899 2.0899 2.1497 2.1497 2.2498 2.2498 2.4055 2.4055 2.5023 2.5023 2.6154 2.6154 2.8502 2.8502 2.9750 2.9750 3.1730 3.1730 3.2089 3.2089 3.3783 3.3783 3.4587 3.4587 7.1106 7.1106 7.1158 7.1158 7.2436 7.2436 7.2504 7.2504 7.3381 7.3381 7.3436 7.3436 8.2183 8.2183 8.2264 8.2264 k = 0.4667 0.3464 0.5383 ( 37072 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6849 -7.6849 -7.6842 -7.6842 -7.5986 -7.5986 -7.5979 -7.5979 -7.4783 -7.4783 -7.4781 -7.4781 0.5104 0.5104 0.5159 0.5159 0.9700 0.9700 1.0099 1.0099 1.2211 1.2211 1.2517 1.2517 2.0899 2.0899 2.1561 2.1561 2.2533 2.2533 2.4043 2.4043 2.4964 2.4964 2.6200 2.6200 2.8488 2.8488 2.9798 2.9798 3.1703 3.1703 3.2177 3.2177 3.3804 3.3804 3.4580 3.4580 7.1078 7.1078 7.1150 7.1150 7.2409 7.2409 7.2508 7.2508 7.3357 7.3357 7.3429 7.3429 8.2170 8.2170 8.2249 8.2249 k = 0.4556 0.3657 0.5383 ( 37060 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6831 -7.6831 -7.6824 -7.6824 -7.5976 -7.5976 -7.5970 -7.5970 -7.4813 -7.4813 -7.4811 -7.4811 0.5206 0.5206 0.5262 0.5262 0.9617 0.9617 0.9991 0.9991 1.2131 1.2131 1.2447 1.2447 2.0904 2.0904 2.1644 2.1644 2.2579 2.2579 2.4028 2.4028 2.4893 2.4893 2.6253 2.6253 2.8474 2.8474 2.9857 2.9857 3.1681 3.1681 3.2281 3.2281 3.3831 3.3831 3.4571 3.4571 7.1045 7.1045 7.1135 7.1135 7.2381 7.2381 7.2507 7.2507 7.3327 7.3327 7.3417 7.3417 8.2153 8.2153 8.2229 8.2229 k = 0.4444 0.3849 0.5383 ( 37062 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6807 -7.6807 -7.6801 -7.6801 -7.5964 -7.5964 -7.5957 -7.5957 -7.4852 -7.4852 -7.4849 -7.4849 0.5334 0.5334 0.5392 0.5392 0.9512 0.9512 0.9857 0.9857 1.2033 1.2033 1.2361 1.2361 2.0914 2.0914 2.1741 2.1741 2.2635 2.2635 2.4010 2.4010 2.4816 2.4816 2.6306 2.6306 2.8464 2.8464 2.9924 2.9924 3.1667 3.1667 3.2395 3.2395 3.3865 3.3865 3.4558 3.4558 7.1007 7.1007 7.1113 7.1113 7.2351 7.2351 7.2500 7.2500 7.3293 7.3293 7.3399 7.3399 8.2134 8.2134 8.2208 8.2208 k = 0.4333 0.4041 0.5383 ( 37058 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6779 -7.6779 -7.6773 -7.6773 -7.5950 -7.5950 -7.5943 -7.5943 -7.4897 -7.4897 -7.4893 -7.4893 0.5487 0.5487 0.5549 0.5549 0.9386 0.9386 0.9701 0.9701 1.1920 1.1920 1.2262 1.2262 2.0930 2.0930 2.1847 2.1847 2.2696 2.2696 2.3990 2.3990 2.4737 2.4737 2.6356 2.6356 2.8459 2.8459 2.9994 2.9994 3.1661 3.1661 3.2517 3.2517 3.3903 3.3903 3.4542 3.4542 7.0965 7.0965 7.1085 7.1085 7.2322 7.2322 7.2488 7.2488 7.3257 7.3257 7.3376 7.3376 8.2115 8.2115 8.2187 8.2187 k = 0.4222 0.4234 0.5383 ( 37056 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6747 -7.6747 -7.6740 -7.6740 -7.5935 -7.5935 -7.5928 -7.5928 -7.4948 -7.4948 -7.4944 -7.4944 0.5663 0.5663 0.5730 0.5730 0.9243 0.9243 0.9524 0.9524 1.1796 1.1796 1.2153 1.2153 2.0951 2.0951 2.1961 2.1961 2.2759 2.2759 2.3969 2.3969 2.4660 2.4660 2.6399 2.6399 2.8460 2.8460 3.0063 3.0063 3.1660 3.1660 3.2643 3.2643 3.3945 3.3945 3.4522 3.4522 7.0921 7.0921 7.1051 7.1051 7.2295 7.2295 7.2473 7.2473 7.3219 7.3219 7.3348 7.3348 8.2099 8.2099 8.2169 8.2169 k = 0.4111 0.4426 0.5383 ( 37074 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6710 -7.6710 -7.6704 -7.6704 -7.5919 -7.5919 -7.5912 -7.5912 -7.5004 -7.5004 -7.4999 -7.4999 0.5859 0.5859 0.5934 0.5934 0.9082 0.9082 0.9332 0.9332 1.1666 1.1666 1.2038 1.2038 2.0977 2.0977 2.2078 2.2078 2.2819 2.2819 2.3948 2.3948 2.4585 2.4585 2.6435 2.6435 2.8468 2.8468 3.0130 3.0130 3.1664 3.1664 3.2770 3.2770 3.3987 3.3987 3.4499 3.4499 7.0876 7.0876 7.1014 7.1014 7.2271 7.2271 7.2456 7.2456 7.3180 7.3180 7.3318 7.3318 8.2086 8.2086 8.2156 8.2156 k = 0.4000 0.4619 0.5383 ( 37082 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6671 -7.6671 -7.6665 -7.6665 -7.5903 -7.5903 -7.5896 -7.5896 -7.5063 -7.5063 -7.5057 -7.5057 0.6071 0.6071 0.6158 0.6158 0.8908 0.8908 0.9129 0.9129 1.1532 1.1532 1.1920 1.1920 2.1007 2.1007 2.2198 2.2198 2.2872 2.2872 2.3929 2.3929 2.4515 2.4515 2.6463 2.6463 2.8480 2.8480 3.0192 3.0192 3.1672 3.1672 3.2894 3.2894 3.4027 3.4027 3.4472 3.4472 7.0832 7.0832 7.0976 7.0976 7.2250 7.2250 7.2438 7.2438 7.3143 7.3143 7.3285 7.3285 8.2078 8.2078 8.2151 8.2151 k = 0.3889 0.4811 0.5383 ( 37098 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6629 -7.6629 -7.6624 -7.6624 -7.5889 -7.5889 -7.5881 -7.5881 -7.5123 -7.5123 -7.5116 -7.5116 0.6294 0.6294 0.6397 0.6397 0.8722 0.8722 0.8919 0.8919 1.1401 1.1401 1.1804 1.1804 2.1038 2.1038 2.2318 2.2318 2.2914 2.2914 2.3912 2.3912 2.4452 2.4452 2.6485 2.6485 2.8495 2.8495 3.0247 3.0247 3.1681 3.1681 3.3013 3.3013 3.4063 3.4063 3.4443 3.4443 7.0790 7.0790 7.0937 7.0937 7.2232 7.2232 7.2420 7.2420 7.3109 7.3109 7.3252 7.3252 8.2077 8.2077 8.2155 8.2155 k = 0.3778 0.5004 0.5383 ( 37094 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6587 -7.6587 -7.6582 -7.6582 -7.5879 -7.5879 -7.5870 -7.5870 -7.5180 -7.5180 -7.5171 -7.5171 0.6520 0.6520 0.6648 0.6648 0.8527 0.8527 0.8711 0.8711 1.1277 1.1277 1.1695 1.1695 2.1069 2.1069 2.2435 2.2435 2.2941 2.2941 2.3897 2.3897 2.4397 2.4397 2.6501 2.6501 2.8511 2.8511 3.0294 3.0294 3.1692 3.1692 3.3122 3.3122 3.4091 3.4091 3.4414 3.4414 7.0752 7.0752 7.0901 7.0901 7.2219 7.2219 7.2404 7.2404 7.3078 7.3078 7.3221 7.3221 8.2081 8.2081 8.2170 8.2170 k = 0.3667 0.5196 0.5383 ( 37104 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6545 -7.6545 -7.6541 -7.6541 -7.5873 -7.5873 -7.5864 -7.5864 -7.5230 -7.5230 -7.5220 -7.5220 0.6739 0.6739 0.6902 0.6902 0.8326 0.8326 0.8512 0.8512 1.1167 1.1167 1.1598 1.1598 2.1099 2.1099 2.2548 2.2548 2.2949 2.2949 2.3884 2.3884 2.4352 2.4352 2.6511 2.6511 2.8525 2.8525 3.0333 3.0333 3.1703 3.1703 3.3217 3.3217 3.4107 3.4107 3.4388 3.4388 7.0719 7.0719 7.0869 7.0869 7.2210 7.2210 7.2390 7.2390 7.3052 7.3052 7.3193 7.3193 8.2091 8.2091 8.2194 8.2194 k = 0.3556 0.5389 0.5383 ( 37102 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6508 -7.6508 -7.6505 -7.6505 -7.5874 -7.5874 -7.5864 -7.5864 -7.5268 -7.5268 -7.5257 -7.5257 0.6935 0.6935 0.7150 0.7150 0.8127 0.8127 0.8337 0.8337 1.1078 1.1078 1.1520 1.1520 2.1125 2.1125 2.2653 2.2653 2.2938 2.2938 2.3872 2.3872 2.4319 2.4319 2.6518 2.6518 2.8537 2.8537 3.0362 3.0362 3.1713 3.1713 3.3294 3.3294 3.4111 3.4111 3.4369 3.4369 7.0694 7.0694 7.0844 7.0844 7.2205 7.2205 7.2380 7.2380 7.3032 7.3032 7.3170 7.3170 8.2104 8.2104 8.2225 8.2225 k = 0.3444 0.5581 0.5383 ( 37116 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6481 -7.6481 -7.6479 -7.6479 -7.5879 -7.5879 -7.5869 -7.5869 -7.5292 -7.5292 -7.5281 -7.5281 0.7078 0.7078 0.7367 0.7367 0.7945 0.7945 0.8210 0.8210 1.1017 1.1017 1.1467 1.1467 2.1143 2.1143 2.2744 2.2744 2.2906 2.2906 2.3862 2.3862 2.4300 2.4300 2.6521 2.6521 2.8544 2.8544 3.0380 3.0380 3.1720 3.1720 3.3346 3.3346 3.4107 3.4107 3.4358 3.4358 7.0678 7.0678 7.0827 7.0827 7.2202 7.2202 7.2374 7.2374 7.3019 7.3019 7.3155 7.3155 8.2116 8.2116 8.2255 8.2255 k = 0.3333 0.5774 0.5383 ( 37104 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6470 -7.6470 -7.6469 -7.6469 -7.5882 -7.5882 -7.5872 -7.5872 -7.5300 -7.5300 -7.5288 -7.5288 0.7132 0.7132 0.7475 0.7475 0.7851 0.7851 0.8162 0.8162 1.0995 1.0995 1.1447 1.1447 2.1150 2.1150 2.2795 2.2795 2.2876 2.2876 2.3857 2.3857 2.4294 2.4294 2.6522 2.6522 2.8547 2.8547 3.0386 3.0386 3.1723 3.1723 3.3364 3.3364 3.4103 3.4103 3.4355 3.4355 7.0672 7.0672 7.0822 7.0822 7.2202 7.2202 7.2372 7.2372 7.3015 7.3015 7.3149 7.3149 8.2121 8.2121 8.2269 8.2269 k = 0.3333 0.5774 0.5383 ( 37104 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6470 -7.6470 -7.6469 -7.6469 -7.5882 -7.5882 -7.5872 -7.5872 -7.5300 -7.5300 -7.5288 -7.5288 0.7132 0.7132 0.7475 0.7475 0.7851 0.7851 0.8162 0.8162 1.0995 1.0995 1.1447 1.1447 2.1150 2.1150 2.2795 2.2795 2.2876 2.2876 2.3857 2.3857 2.4294 2.4294 2.6522 2.6522 2.8547 2.8547 3.0386 3.0386 3.1723 3.1723 3.3364 3.3364 3.4103 3.4103 3.4355 3.4355 7.0672 7.0672 7.0822 7.0822 7.2202 7.2202 7.2372 7.2372 7.3015 7.3015 7.3149 7.3149 8.2121 8.2121 8.2269 8.2269 k = 0.3218 0.5574 0.5383 ( 37114 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6484 -7.6484 -7.6482 -7.6482 -7.5876 -7.5876 -7.5865 -7.5865 -7.5293 -7.5293 -7.5281 -7.5281 0.7079 0.7079 0.7375 0.7375 0.7932 0.7932 0.8206 0.8206 1.1022 1.1022 1.1471 1.1471 2.1140 2.1140 2.2736 2.2736 2.2911 2.2911 2.3864 2.3864 2.4300 2.4300 2.6521 2.6521 2.8544 2.8544 3.0379 3.0379 3.1719 3.1719 3.3343 3.3343 3.4110 3.4110 3.4358 3.4358 7.0679 7.0679 7.0828 7.0828 7.2202 7.2202 7.2374 7.2374 7.3020 7.3020 7.3156 7.3156 8.2114 8.2114 8.2251 8.2251 k = 0.3103 0.5375 0.5383 ( 37130 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6527 -7.6527 -7.6524 -7.6524 -7.5852 -7.5852 -7.5842 -7.5842 -7.5272 -7.5272 -7.5261 -7.5261 0.6951 0.6951 0.7198 0.7198 0.8052 0.8052 0.8302 0.8302 1.1108 1.1108 1.1546 1.1546 2.1107 2.1107 2.2620 2.2620 2.2951 2.2951 2.3891 2.3891 2.4316 2.4316 2.6519 2.6519 2.8536 2.8536 3.0357 3.0357 3.1706 3.1706 3.3283 3.3283 3.4130 3.4130 3.4372 3.4372 7.0698 7.0698 7.0849 7.0849 7.2202 7.2202 7.2378 7.2378 7.3036 7.3036 7.3175 7.3175 8.2094 8.2094 8.2204 8.2204 k = 0.2989 0.5176 0.5383 ( 37116 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6596 -7.6596 -7.6593 -7.6593 -7.5810 -7.5810 -7.5800 -7.5800 -7.5241 -7.5241 -7.5231 -7.5231 0.6790 0.6790 0.7011 0.7011 0.8145 0.8145 0.8401 0.8401 1.1256 1.1256 1.1675 1.1675 2.1044 2.1044 2.2465 2.2465 2.2979 2.2979 2.3937 2.3937 2.4344 2.4344 2.6516 2.6516 2.8522 2.8522 3.0318 3.0318 3.1681 3.1681 3.3190 3.3190 3.4159 3.4159 3.4399 3.4399 7.0731 7.0731 7.0883 7.0883 7.2201 7.2201 7.2384 7.2384 7.3064 7.3064 7.3209 7.3209 8.2064 8.2064 8.2147 8.2147 k = 0.2874 0.4977 0.5383 ( 37104 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6686 -7.6686 -7.6682 -7.6682 -7.5754 -7.5754 -7.5744 -7.5744 -7.5204 -7.5204 -7.5194 -7.5194 0.6619 0.6619 0.6829 0.6829 0.8204 0.8204 0.8476 0.8476 1.1462 1.1462 1.1857 1.1857 2.0945 2.0945 2.2273 2.2273 2.2999 2.2999 2.4001 2.4001 2.4382 2.4382 2.6513 2.6513 2.8502 2.8502 3.0260 3.0260 3.1644 3.1644 3.3075 3.3075 3.4194 3.4194 3.4446 3.4446 7.0776 7.0776 7.0932 7.0932 7.2199 7.2199 7.2389 7.2389 7.3105 7.3105 7.3254 7.3254 8.2032 8.2032 8.2098 8.2098 k = 0.2759 0.4778 0.5383 ( 37070 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6789 -7.6789 -7.6786 -7.6786 -7.5687 -7.5687 -7.5678 -7.5678 -7.5161 -7.5161 -7.5151 -7.5151 0.6452 0.6452 0.6657 0.6657 0.8234 0.8234 0.8523 0.8523 1.1715 1.1715 1.2083 1.2083 2.0803 2.0803 2.2039 2.2039 2.3022 2.3022 2.4072 2.4072 2.4435 2.4435 2.6510 2.6510 2.8474 2.8474 3.0178 3.0178 3.1598 3.1598 3.2948 3.2948 3.4235 3.4235 3.4513 3.4513 7.0833 7.0833 7.0992 7.0992 7.2197 7.2197 7.2394 7.2394 7.3158 7.3158 7.3310 7.3310 8.2009 8.2009 8.2067 8.2067 k = 0.2644 0.4579 0.5383 ( 37062 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6902 -7.6902 -7.6899 -7.6899 -7.5614 -7.5614 -7.5605 -7.5605 -7.5114 -7.5114 -7.5105 -7.5105 0.6294 0.6294 0.6498 0.6498 0.8241 0.8241 0.8545 0.8545 1.2002 1.2002 1.2342 1.2342 2.0617 2.0617 2.1765 2.1765 2.3052 2.3052 2.4141 2.4141 2.4507 2.4507 2.6507 2.6507 2.8438 2.8438 3.0067 3.0067 3.1548 3.1548 3.2818 3.2818 3.4287 3.4287 3.4597 3.4597 7.0901 7.0901 7.1064 7.1064 7.2197 7.2197 7.2399 7.2399 7.3220 7.3220 7.3375 7.3375 8.2000 8.2000 8.2061 8.2061 k = 0.2529 0.4380 0.5383 ( 37050 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.7022 -7.7022 -7.7019 -7.7019 -7.5535 -7.5535 -7.5526 -7.5526 -7.5065 -7.5065 -7.5056 -7.5056 0.6151 0.6151 0.6354 0.6354 0.8236 0.8236 0.8550 0.8550 1.2311 1.2311 1.2625 1.2625 2.0387 2.0387 2.1451 2.1451 2.3091 2.3091 2.4201 2.4201 2.4600 2.4600 2.6504 2.6504 2.8388 2.8388 2.9923 2.9923 3.1503 3.1503 3.2692 3.2692 3.4354 3.4354 3.4697 3.4697 7.0976 7.0976 7.1144 7.1144 7.2199 7.2199 7.2405 7.2405 7.3290 7.3290 7.3444 7.3444 8.2015 8.2015 8.2083 8.2083 k = 0.2414 0.4181 0.5383 ( 37050 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.7145 -7.7145 -7.7142 -7.7142 -7.5454 -7.5454 -7.5445 -7.5445 -7.5014 -7.5014 -7.5005 -7.5005 0.6023 0.6023 0.6227 0.6227 0.8223 0.8223 0.8545 0.8545 1.2630 1.2630 1.2919 1.2919 2.0115 2.0115 2.1099 2.1099 2.3139 2.3139 2.4249 2.4249 2.4713 2.4713 2.6500 2.6500 2.8321 2.8321 2.9744 2.9744 3.1473 3.1473 3.2577 3.2577 3.4440 3.4440 3.4809 3.4809 7.1056 7.1056 7.1228 7.1228 7.2206 7.2206 7.2413 7.2413 7.3364 7.3364 7.3516 7.3516 8.2057 8.2057 8.2136 8.2136 k = 0.2299 0.3982 0.5383 ( 37056 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.7269 -7.7269 -7.7267 -7.7267 -7.5370 -7.5370 -7.5362 -7.5362 -7.4962 -7.4962 -7.4954 -7.4954 0.5915 0.5915 0.6117 0.6117 0.8210 0.8210 0.8536 0.8536 1.2950 1.2950 1.3216 1.3216 1.9804 1.9804 2.0712 2.0712 2.3192 2.3192 2.4286 2.4286 2.4841 2.4841 2.6497 2.6497 2.8232 2.8232 2.9533 2.9533 3.1466 3.1466 3.2481 3.2481 3.4545 3.4545 3.4932 3.4932 7.1137 7.1137 7.1313 7.1313 7.2219 7.2219 7.2426 7.2426 7.3438 7.3438 7.3587 7.3587 8.2130 8.2130 8.2219 8.2219 k = 0.2184 0.3783 0.5383 ( 37064 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.7394 -7.7394 -7.7392 -7.7392 -7.5286 -7.5286 -7.5278 -7.5278 -7.4909 -7.4909 -7.4902 -7.4902 0.5826 0.5826 0.6027 0.6027 0.8200 0.8200 0.8526 0.8526 1.3264 1.3264 1.3508 1.3508 1.9458 1.9458 2.0294 2.0294 2.3244 2.3244 2.4313 2.4313 2.4978 2.4978 2.6491 2.6491 2.8116 2.8116 2.9298 2.9298 3.1489 3.1489 3.2411 3.2411 3.4669 3.4669 3.5066 3.5066 7.1217 7.1217 7.1394 7.1394 7.2242 7.2242 7.2445 7.2445 7.3510 7.3510 7.3654 7.3654 8.2234 8.2234 8.2335 8.2335 k = 0.2069 0.3584 0.5383 ( 37068 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.7518 -7.7518 -7.7516 -7.7516 -7.5202 -7.5202 -7.5195 -7.5195 -7.4857 -7.4857 -7.4849 -7.4849 0.5758 0.5758 0.5957 0.5957 0.8195 0.8195 0.8520 0.8520 1.3566 1.3566 1.3790 1.3790 1.9083 1.9083 1.9849 1.9849 2.3290 2.3290 2.4328 2.4328 2.5120 2.5120 2.6484 2.6484 2.7970 2.7970 2.9051 2.9051 3.1542 3.1542 3.2372 3.2372 3.4811 3.4811 3.5211 3.5211 7.1294 7.1294 7.1467 7.1467 7.2276 7.2276 7.2471 7.2471 7.3575 7.3575 7.3714 7.3714 8.2370 8.2370 8.2482 8.2482 k = 0.1954 0.3384 0.5383 ( 37048 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.7640 -7.7640 -7.7638 -7.7638 -7.5118 -7.5118 -7.5111 -7.5111 -7.4805 -7.4805 -7.4798 -7.4798 0.5712 0.5712 0.5908 0.5908 0.8198 0.8198 0.8520 0.8520 1.3851 1.3851 1.4057 1.4057 1.8682 1.8682 1.9383 1.9383 2.3321 2.3321 2.4330 2.4330 2.5263 2.5263 2.6473 2.6473 2.7797 2.7797 2.8803 2.8803 3.1626 3.1626 3.2367 3.2367 3.4970 3.4970 3.5365 3.5365 7.1363 7.1363 7.1529 7.1529 7.2323 7.2323 7.2504 7.2504 7.3631 7.3631 7.3764 7.3764 8.2538 8.2538 8.2661 8.2661 k = 0.1839 0.3185 0.5383 ( 37040 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.7758 -7.7758 -7.7757 -7.7757 -7.5036 -7.5036 -7.5030 -7.5030 -7.4753 -7.4753 -7.4747 -7.4747 0.5689 0.5689 0.5881 0.5881 0.8210 0.8210 0.8526 0.8526 1.4115 1.4115 1.4305 1.4305 1.8261 1.8261 1.8901 1.8901 2.3331 2.3331 2.4314 2.4314 2.5405 2.5405 2.6456 2.6456 2.7605 2.7605 2.8565 2.8565 3.1740 3.1740 3.2397 3.2397 3.5143 3.5143 3.5528 3.5528 7.1425 7.1425 7.1580 7.1580 7.2380 7.2380 7.2544 7.2544 7.3675 7.3675 7.3801 7.3801 8.2735 8.2735 8.2868 8.2868 k = 0.1724 0.2986 0.5383 ( 37028 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.7874 -7.7874 -7.7872 -7.7872 -7.4956 -7.4956 -7.4950 -7.4950 -7.4703 -7.4703 -7.4697 -7.4697 0.5689 0.5689 0.5876 0.5876 0.8231 0.8231 0.8540 0.8540 1.4355 1.4355 1.4531 1.4531 1.7825 1.7825 1.8408 1.8408 2.3313 2.3313 2.4274 2.4274 2.5542 2.5542 2.6431 2.6431 2.7410 2.7410 2.8345 2.8345 3.1880 3.1880 3.2460 3.2460 3.5329 3.5329 3.5700 3.5700 7.1479 7.1479 7.1621 7.1621 7.2446 7.2446 7.2589 7.2589 7.3705 7.3705 7.3825 7.3825 8.2962 8.2962 8.3103 8.3103 k = 0.1609 0.2787 0.5383 ( 37040 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.7984 -7.7984 -7.7983 -7.7983 -7.4879 -7.4879 -7.4873 -7.4873 -7.4655 -7.4655 -7.4649 -7.4649 0.5713 0.5713 0.5894 0.5894 0.8260 0.8260 0.8561 0.8561 1.4569 1.4569 1.4733 1.4733 1.7380 1.7380 1.7911 1.7911 2.3262 2.3262 2.4202 2.4202 2.5671 2.5671 2.6396 2.6396 2.7235 2.7235 2.8146 2.8146 3.2044 3.2044 3.2553 3.2553 3.5527 3.5527 3.5881 3.5881 7.1524 7.1524 7.1652 7.1652 7.2518 7.2518 7.2639 7.2639 7.3720 7.3720 7.3834 7.3834 8.3214 8.3214 8.3364 8.3364 k = 0.1494 0.2588 0.5383 ( 37036 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8090 -7.8090 -7.8089 -7.8089 -7.4804 -7.4804 -7.4799 -7.4799 -7.4608 -7.4608 -7.4603 -7.4603 0.5760 0.5760 0.5934 0.5934 0.8298 0.8298 0.8588 0.8588 1.4752 1.4752 1.4908 1.4908 1.6932 1.6932 1.7420 1.7420 2.3175 2.3175 2.4088 2.4088 2.5790 2.5790 2.6352 2.6352 2.7099 2.7099 2.7969 2.7969 3.2226 3.2226 3.2670 3.2670 3.5734 3.5734 3.6070 3.6070 7.1563 7.1563 7.1677 7.1677 7.2590 7.2590 7.2689 7.2689 7.3719 7.3719 7.3826 7.3826 8.3491 8.3491 8.3647 8.3647 k = 0.1379 0.2389 0.5383 ( 37032 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8190 -7.8190 -7.8189 -7.8189 -7.4734 -7.4734 -7.4728 -7.4728 -7.4564 -7.4564 -7.4559 -7.4559 0.5831 0.5831 0.5997 0.5997 0.8341 0.8341 0.8620 0.8620 1.4896 1.4896 1.5050 1.5050 1.6493 1.6493 1.6947 1.6947 2.3052 2.3052 2.3927 2.3927 2.5895 2.5895 2.6308 2.6308 2.7008 2.7008 2.7815 2.7815 3.2421 3.2421 3.2806 3.2806 3.5950 3.5950 3.6267 3.6267 7.1596 7.1596 7.1697 7.1697 7.2661 7.2661 7.2739 7.2739 7.3702 7.3702 7.3803 7.3803 8.3788 8.3788 8.3950 8.3950 k = 0.1264 0.2190 0.5383 ( 37050 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8284 -7.8284 -7.8283 -7.8283 -7.4667 -7.4667 -7.4662 -7.4662 -7.4522 -7.4522 -7.4518 -7.4518 0.5925 0.5925 0.6082 0.6082 0.8389 0.8389 0.8655 0.8655 1.4983 1.4983 1.5142 1.5142 1.6086 1.6086 1.6515 1.6515 2.2899 2.2899 2.3721 2.3721 2.5984 2.5984 2.6280 2.6280 2.6956 2.6956 2.7681 2.7681 3.2623 3.2623 3.2953 3.2953 3.6171 3.6171 3.6469 3.6469 7.1625 7.1625 7.1715 7.1715 7.2727 7.2727 7.2786 7.2786 7.3669 7.3669 7.3764 7.3764 8.4103 8.4103 8.4269 8.4269 k = 0.1149 0.1991 0.5383 ( 37046 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8371 -7.8371 -7.8370 -7.8370 -7.4604 -7.4604 -7.4599 -7.4599 -7.4483 -7.4483 -7.4479 -7.4479 0.6041 0.6041 0.6188 0.6188 0.8438 0.8438 0.8690 0.8690 1.4973 1.4973 1.5123 1.5123 1.5779 1.5779 1.6170 1.6170 2.2721 2.2721 2.3476 2.3476 2.6051 2.6051 2.6283 2.6283 2.6933 2.6933 2.7567 2.7567 3.2826 3.2826 3.3107 3.3107 3.6395 3.6395 3.6676 3.6676 7.1650 7.1650 7.1730 7.1730 7.2787 7.2787 7.2830 7.2830 7.3623 7.3623 7.3712 7.3712 8.4432 8.4432 8.4600 8.4600 k = 0.1034 0.1792 0.5383 ( 37062 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8451 -7.8451 -7.8451 -7.8451 -7.4546 -7.4546 -7.4542 -7.4542 -7.4447 -7.4447 -7.4443 -7.4443 0.6179 0.6179 0.6315 0.6315 0.8484 0.8484 0.8723 0.8723 1.4812 1.4812 1.4899 1.4899 1.5675 1.5675 1.5970 1.5970 2.2527 2.2527 2.3207 2.3207 2.6095 2.6095 2.6319 2.6319 2.6926 2.6926 2.7470 2.7470 3.3024 3.3024 3.3260 3.3260 3.6618 3.6618 3.6884 3.6884 7.1672 7.1672 7.1744 7.1744 7.2839 7.2839 7.2868 7.2868 7.3564 7.3564 7.3649 7.3649 8.4770 8.4770 8.4939 8.4939 k = 0.0920 0.1593 0.5383 ( 37062 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8524 -7.8524 -7.8523 -7.8523 -7.4493 -7.4493 -7.4490 -7.4490 -7.4414 -7.4414 -7.4410 -7.4410 0.6337 0.6337 0.6461 0.6461 0.8524 0.8524 0.8748 0.8748 1.4514 1.4514 1.4561 1.4561 1.5695 1.5695 1.5903 1.5903 2.2327 2.2327 2.2926 2.2926 2.6125 2.6125 2.6375 2.6375 2.6930 2.6930 2.7387 2.7387 3.3213 3.3213 3.3409 3.3409 3.6838 3.6838 3.7090 3.7090 7.1692 7.1692 7.1757 7.1757 7.2882 7.2882 7.2902 7.2902 7.3498 7.3498 7.3578 7.3578 8.5111 8.5111 8.5279 8.5279 k = 0.0805 0.1394 0.5383 ( 37042 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8589 -7.8589 -7.8588 -7.8588 -7.4446 -7.4446 -7.4443 -7.4443 -7.4384 -7.4384 -7.4381 -7.4381 0.6513 0.6513 0.6625 0.6625 0.8552 0.8552 0.8762 0.8762 1.4163 1.4163 1.4205 1.4205 1.5744 1.5744 1.5902 1.5902 2.2128 2.2128 2.2648 2.2648 2.6153 2.6153 2.6438 2.6438 2.6939 2.6939 2.7316 2.7316 3.3387 3.3387 3.3547 3.3547 3.7049 3.7049 3.7290 3.7290 7.1711 7.1711 7.1769 7.1769 7.2912 7.2912 7.2933 7.2933 7.3427 7.3427 7.3503 7.3503 8.5451 8.5451 8.5615 8.5615 k = 0.0690 0.1195 0.5383 ( 37056 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8646 -7.8646 -7.8645 -7.8645 -7.4404 -7.4404 -7.4402 -7.4402 -7.4358 -7.4358 -7.4355 -7.4355 0.6706 0.6706 0.6804 0.6804 0.8563 0.8563 0.8760 0.8760 1.3819 1.3819 1.3859 1.3859 1.5796 1.5796 1.5922 1.5922 2.1941 2.1941 2.2382 2.2382 2.6179 2.6179 2.6501 2.6501 2.6950 2.6950 2.7254 2.7254 3.3544 3.3544 3.3673 3.3673 3.7246 3.7246 3.7478 3.7478 7.1728 7.1728 7.1779 7.1779 7.2930 7.2930 7.2960 7.2960 7.3358 7.3358 7.3428 7.3428 8.5780 8.5780 8.5937 8.5937 k = 0.0575 0.0995 0.5383 ( 37048 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8694 -7.8694 -7.8694 -7.8694 -7.4369 -7.4369 -7.4367 -7.4367 -7.4335 -7.4335 -7.4333 -7.4333 0.6910 0.6910 0.6995 0.6995 0.8551 0.8551 0.8736 0.8736 1.3505 1.3505 1.3544 1.3544 1.5841 1.5841 1.5944 1.5944 2.1774 2.1774 2.2138 2.2138 2.6204 2.6204 2.6561 2.6561 2.6961 2.6961 2.7199 2.7199 3.3681 3.3681 3.3782 3.3782 3.7425 3.7425 3.7650 3.7650 7.1743 7.1743 7.1788 7.1788 7.2937 7.2937 7.2979 7.2979 7.3294 7.3294 7.3358 7.3358 8.6090 8.6090 8.6235 8.6235 k = 0.0460 0.0796 0.5383 ( 37042 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8734 -7.8734 -7.8734 -7.8734 -7.4340 -7.4340 -7.4338 -7.4338 -7.4316 -7.4316 -7.4314 -7.4314 0.7123 0.7123 0.7194 0.7194 0.8511 0.8511 0.8687 0.8687 1.3234 1.3234 1.3271 1.3271 1.5881 1.5881 1.5963 1.5963 2.1633 2.1633 2.1922 2.1922 2.6227 2.6227 2.6616 2.6616 2.6972 2.6972 2.7150 2.7150 3.3795 3.3795 3.3872 3.3872 3.7580 3.7580 3.7799 3.7799 7.1757 7.1757 7.1794 7.1794 7.2935 7.2935 7.2989 7.2989 7.3243 7.3243 7.3299 7.3299 8.6368 8.6368 8.6495 8.6495 k = 0.0345 0.0597 0.5383 ( 37054 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8765 -7.8765 -7.8765 -7.8765 -7.4318 -7.4318 -7.4317 -7.4317 -7.4301 -7.4301 -7.4299 -7.4299 0.7337 0.7337 0.7394 0.7394 0.8441 0.8441 0.8611 0.8611 1.3016 1.3016 1.3050 1.3050 1.5913 1.5913 1.5975 1.5975 2.1525 2.1525 2.1740 2.1740 2.6246 2.6246 2.6665 2.6665 2.6982 2.6982 2.7107 2.7107 3.3887 3.3887 3.3942 3.3942 3.7706 3.7706 3.7922 3.7922 7.1769 7.1769 7.1798 7.1798 7.2926 7.2926 7.2989 7.2989 7.3208 7.3208 7.3253 7.3253 8.6602 8.6602 8.6698 8.6698 k = 0.0230 0.0398 0.5383 ( 37082 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8788 -7.8788 -7.8788 -7.8788 -7.4302 -7.4302 -7.4302 -7.4302 -7.4289 -7.4289 -7.4288 -7.4288 0.7543 0.7543 0.7585 0.7585 0.8343 0.8343 0.8512 0.8512 1.2859 1.2859 1.2885 1.2885 1.5938 1.5938 1.5980 1.5980 2.1454 2.1454 2.1597 2.1597 2.6261 2.6261 2.6704 2.6704 2.6992 2.6992 2.7070 2.7070 3.3955 3.3955 3.3991 3.3991 3.7800 3.7800 3.8012 3.8012 7.1780 7.1780 7.1800 7.1800 7.2913 7.2913 7.2983 7.2983 7.3190 7.3190 7.3220 7.3220 8.6774 8.6774 8.6833 8.6833 k = 0.0115 0.0199 0.5383 ( 37066 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8801 -7.8801 -7.8801 -7.8801 -7.4294 -7.4294 -7.4293 -7.4293 -7.4281 -7.4281 -7.4280 -7.4280 0.7722 0.7722 0.7744 0.7744 0.8231 0.8231 0.8411 0.8411 1.2767 1.2767 1.2782 1.2782 1.5957 1.5957 1.5979 1.5979 2.1425 2.1425 2.1496 2.1496 2.6270 2.6270 2.6731 2.6731 2.7003 2.7003 2.7040 2.7040 3.3999 3.3999 3.4017 3.4017 3.7857 3.7857 3.8068 3.8068 7.1788 7.1788 7.1798 7.1798 7.2902 7.2902 7.2975 7.2975 7.3184 7.3184 7.3199 7.3199 8.6878 8.6878 8.6903 8.6903 k = 0.0000 0.0000 0.5383 ( 37074 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.8806 -7.8806 -7.8806 -7.8806 -7.4291 -7.4291 -7.4291 -7.4291 -7.4279 -7.4279 -7.4277 -7.4277 0.7812 0.7812 0.7812 0.7812 0.8166 0.8166 0.8360 0.8360 1.2742 1.2742 1.2742 1.2742 1.5971 1.5971 1.5971 1.5971 2.1439 2.1439 2.1439 2.1439 2.6273 2.6273 2.6741 2.6741 2.7018 2.7018 2.7018 2.7018 3.4020 3.4020 3.4020 3.4020 3.7877 3.7877 3.8087 3.8087 7.1795 7.1795 7.1795 7.1795 7.2898 7.2898 7.2972 7.2972 7.3187 7.3187 7.3187 7.3187 8.6918 8.6918 8.6918 8.6918 k = 0.5000 0.2887 0.5383 ( 37068 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6873 -7.6873 -7.6866 -7.6866 -7.5999 -7.5999 -7.5992 -7.5992 -7.4743 -7.4743 -7.4742 -7.4742 0.4972 0.4972 0.5025 0.5025 0.9810 0.9810 1.0241 1.0241 1.2319 1.2319 1.2612 1.2612 2.0902 2.0902 2.1440 2.1440 2.2469 2.2469 2.4064 2.4064 2.5076 2.5076 2.6110 2.6110 2.8516 2.8516 2.9709 2.9709 3.1772 3.1772 3.1997 3.1997 3.3767 3.3767 3.4592 3.4592 7.1135 7.1135 7.1157 7.1157 7.2477 7.2477 7.2483 7.2483 7.3406 7.3406 7.3436 7.3436 8.2195 8.2195 8.2277 8.2277 k = 0.5000 0.2887 0.5158 ( 37058 PWs) bands (ev): -43.8786 -43.8786 -43.8777 -43.8777 -41.6154 -41.6154 -41.6153 -41.6153 -22.9241 -22.9241 -22.9238 -22.9238 -22.4902 -22.4902 -22.4886 -22.4886 -22.2644 -22.2644 -22.2550 -22.2550 -7.7053 -7.7046 -7.6693 -7.6686 -7.6104 -7.6098 -7.5893 -7.5886 -7.4784 -7.4783 -7.4701 -7.4700 0.4821 0.4864 0.5137 0.5202 0.9663 0.9964 1.0003 1.0478 1.2139 1.2312 1.2515 1.2919 2.0734 2.1057 2.1265 2.1563 2.2426 2.2527 2.3892 2.4151 2.4973 2.5249 2.5763 2.6468 2.8291 2.8737 2.9500 2.9903 3.1542 3.1834 3.1950 3.2096 3.3584 3.4000 3.4534 3.4695 7.0922 7.0950 7.1344 7.1362 7.2330 7.2426 7.2497 7.2523 7.2714 7.2818 7.4169 7.4182 8.2108 8.2166 8.2292 8.2409 k = 0.5000 0.2887 0.4934 ( 37058 PWs) bands (ev): -43.8791 -43.8791 -43.8773 -43.8773 -41.6155 -41.6155 -41.6152 -41.6152 -22.9242 -22.9242 -22.9237 -22.9237 -22.4910 -22.4910 -22.4877 -22.4877 -22.2690 -22.2690 -22.2503 -22.2503 -7.7231 -7.7224 -7.6513 -7.6506 -7.6208 -7.6202 -7.5786 -7.5779 -7.4824 -7.4823 -7.4661 -7.4660 0.4684 0.4718 0.5316 0.5393 0.9525 0.9767 1.0123 1.0711 1.1974 1.2020 1.2727 1.3231 2.0558 2.1058 2.1194 2.1613 2.2387 2.2612 2.3655 2.4160 2.4926 2.5450 2.5474 2.6792 2.8096 2.8943 2.9289 3.0065 3.1275 3.1632 3.2065 3.2116 3.3478 3.4260 3.4535 3.4824 7.0700 7.0731 7.1502 7.1563 7.1796 7.1927 7.2495 7.2562 7.2576 7.2633 7.4941 7.4950 8.2038 8.2079 8.2383 8.2551 k = 0.5000 0.2887 0.4710 ( 37100 PWs) bands (ev): -43.8795 -43.8795 -43.8769 -43.8769 -41.6155 -41.6155 -41.6152 -41.6152 -22.9244 -22.9244 -22.9236 -22.9236 -22.4918 -22.4918 -22.4869 -22.4869 -22.2736 -22.2736 -22.2456 -22.2456 -7.7407 -7.7401 -7.6335 -7.6327 -7.6310 -7.6305 -7.5680 -7.5672 -7.4864 -7.4863 -7.4620 -7.4619 0.4563 0.4588 0.5505 0.5597 0.9398 0.9534 1.0285 1.0936 1.1740 1.1826 1.2955 1.3548 2.0378 2.0829 2.1306 2.1583 2.2345 2.2720 2.3386 2.4110 2.4913 2.5190 2.5724 2.6982 2.8018 2.9080 2.9130 3.0168 3.0990 3.1413 3.2056 3.2134 3.3455 3.4528 3.4596 3.4963 7.0443 7.0459 7.1111 7.1151 7.1774 7.1863 7.2505 7.2605 7.2619 7.2637 7.5714 7.5722 8.1989 8.2016 8.2440 8.2620 k = 0.5000 0.2887 0.4486 ( 37110 PWs) bands (ev): -43.8799 -43.8799 -43.8764 -43.8764 -41.6156 -41.6156 -41.6151 -41.6151 -22.9246 -22.9246 -22.9235 -22.9235 -22.4926 -22.4926 -22.4861 -22.4861 -22.2781 -22.2781 -22.2409 -22.2409 -7.7579 -7.7574 -7.6411 -7.6405 -7.6160 -7.6151 -7.5573 -7.5564 -7.4904 -7.4902 -7.4580 -7.4580 0.4457 0.4474 0.5705 0.5812 0.9281 0.9307 1.0445 1.1149 1.1475 1.1697 1.3200 1.3868 2.0197 2.0586 2.1381 2.1481 2.2293 2.2837 2.3114 2.4017 2.4916 2.4998 2.5981 2.6930 2.8145 2.8876 2.9302 3.0176 3.0712 3.1196 3.1930 3.2206 3.3493 3.4704 3.4792 3.5100 7.0016 7.0034 7.0611 7.0679 7.1968 7.2069 7.2530 7.2659 7.2688 7.2692 7.6478 7.6488 8.1961 8.1977 8.2456 8.2596 k = 0.5000 0.2887 0.4261 ( 37134 PWs) bands (ev): -43.8804 -43.8804 -43.8760 -43.8760 -41.6157 -41.6157 -41.6151 -41.6151 -22.9247 -22.9247 -22.9235 -22.9235 -22.4934 -22.4934 -22.4853 -22.4853 -22.2825 -22.2825 -22.2363 -22.2363 -7.7748 -7.7743 -7.6509 -7.6504 -7.5988 -7.5980 -7.5467 -7.5458 -7.4941 -7.4940 -7.4541 -7.4541 0.4367 0.4377 0.5912 0.6038 0.9087 0.9177 1.0594 1.1237 1.1335 1.1598 1.3463 1.4190 2.0017 2.0331 2.1325 2.1405 2.2225 2.2862 2.2943 2.3886 2.4884 2.4929 2.6233 2.6711 2.8370 2.8676 2.9476 3.0059 3.0472 3.0999 3.1765 3.2327 3.3560 3.4836 3.5044 3.5229 6.9387 6.9416 7.0320 7.0403 7.2148 7.2282 7.2574 7.2734 7.2780 7.2782 7.7225 7.7239 8.1955 8.1962 8.2453 8.2570 k = 0.5000 0.2887 0.4037 ( 37108 PWs) bands (ev): -43.8808 -43.8808 -43.8756 -43.8756 -41.6157 -41.6157 -41.6150 -41.6150 -22.9249 -22.9249 -22.9234 -22.9234 -22.4942 -22.4942 -22.4846 -22.4846 -22.2868 -22.2868 -22.2318 -22.2318 -7.7913 -7.7908 -7.6605 -7.6599 -7.5823 -7.5813 -7.5362 -7.5353 -7.4975 -7.4974 -7.4503 -7.4503 0.4292 0.4295 0.6123 0.6271 0.8877 0.9084 1.0691 1.1066 1.1409 1.1614 1.3743 1.4513 1.9839 2.0063 2.1132 2.1363 2.2138 2.2649 2.3023 2.3726 2.4849 2.4945 2.6430 2.6474 2.8472 2.8544 2.9678 2.9839 3.0274 3.0834 3.1589 3.2509 3.3630 3.4972 3.5279 3.5353 6.8703 6.8732 7.0110 7.0198 7.2298 7.2449 7.2674 7.2831 7.2900 7.2916 7.7942 7.7961 8.1970 8.1971 8.2449 8.2555 k = 0.5000 0.2887 0.3813 ( 37080 PWs) bands (ev): -43.8812 -43.8812 -43.8752 -43.8752 -41.6158 -41.6158 -41.6150 -41.6150 -22.9251 -22.9251 -22.9234 -22.9234 -22.4950 -22.4949 -22.4838 -22.4838 -22.2910 -22.2910 -22.2274 -22.2274 -7.8072 -7.8067 -7.6697 -7.6692 -7.5664 -7.5654 -7.5263 -7.5254 -7.5001 -7.5000 -7.4467 -7.4466 0.4228 0.4233 0.6334 0.6509 0.8678 0.9004 1.0630 1.1072 1.1355 1.1758 1.4039 1.4836 1.9666 1.9783 2.0920 2.1244 2.2031 2.2483 2.3072 2.3545 2.4884 2.4964 2.6131 2.6698 2.8256 2.8601 2.9588 2.9906 3.0089 3.0711 3.1439 3.2742 3.3690 3.5089 3.5477 3.5494 6.8014 6.8043 6.9927 7.0016 7.2413 7.2530 7.2861 7.2954 7.3052 7.3093 7.8607 7.8636 8.2001 8.2010 8.2458 8.2558 k = 0.5000 0.2887 0.3589 ( 37056 PWs) bands (ev): -43.8816 -43.8816 -43.8748 -43.8748 -41.6158 -41.6158 -41.6149 -41.6149 -22.9253 -22.9253 -22.9234 -22.9234 -22.4957 -22.4957 -22.4831 -22.4831 -22.2950 -22.2950 -22.2232 -22.2232 -7.8226 -7.8221 -7.6786 -7.6782 -7.5514 -7.5505 -7.5184 -7.5176 -7.5003 -7.5002 -7.4431 -7.4430 0.4177 0.4187 0.6541 0.6746 0.8495 0.8937 1.0476 1.1192 1.1295 1.1910 1.4349 1.5157 1.9490 1.9496 2.0702 2.1059 2.1900 2.2349 2.3095 2.3359 2.4969 2.4983 2.5837 2.6903 2.8018 2.8547 2.9352 2.9909 3.0080 3.0639 3.1374 3.3000 3.3740 3.5171 3.5611 3.5688 6.7335 6.7363 6.9757 6.9847 7.2497 7.2573 7.3077 7.3106 7.3242 7.3303 7.9189 7.9231 8.2055 8.2073 8.2505 8.2596 k = 0.5000 0.2887 0.3364 ( 37042 PWs) bands (ev): -43.8820 -43.8820 -43.8744 -43.8744 -41.6159 -41.6159 -41.6148 -41.6148 -22.9255 -22.9255 -22.9233 -22.9233 -22.4964 -22.4964 -22.4824 -22.4824 -22.2989 -22.2989 -22.2190 -22.2190 -7.8373 -7.8369 -7.6872 -7.6867 -7.5376 -7.5366 -7.5155 -7.5152 -7.4951 -7.4946 -7.4397 -7.4396 0.4139 0.4156 0.6737 0.6974 0.8336 0.8882 1.0326 1.1247 1.1334 1.2050 1.4671 1.5473 1.9185 1.9330 2.0490 2.0831 2.1746 2.2214 2.3098 2.3188 2.5000 2.5064 2.5584 2.7081 2.7755 2.8416 2.9149 2.9744 3.0095 3.0617 3.1467 3.3244 3.3802 3.5211 3.5757 3.5862 6.6672 6.6699 6.9597 6.9686 7.2559 7.2605 7.3285 7.3295 7.3467 7.3534 7.9640 7.9700 8.2131 8.2158 8.2631 8.2707 k = 0.5000 0.2887 0.3140 ( 37054 PWs) bands (ev): -43.8823 -43.8823 -43.8741 -43.8741 -41.6159 -41.6159 -41.6148 -41.6148 -22.9258 -22.9258 -22.9233 -22.9233 -22.4970 -22.4970 -22.4817 -22.4817 -22.3025 -22.3025 -22.2151 -22.2151 -7.8513 -7.8509 -7.6953 -7.6949 -7.5252 -7.5244 -7.5164 -7.5163 -7.4855 -7.4849 -7.4364 -7.4363 0.4115 0.4137 0.6913 0.7175 0.8215 0.8843 1.0203 1.1214 1.1475 1.2174 1.5002 1.5784 1.8871 1.9166 2.0290 2.0581 2.1568 2.2051 2.3050 2.3088 2.5015 2.5055 2.5476 2.7213 2.7487 2.8238 2.8980 2.9606 2.9977 3.0595 3.1712 3.3395 3.3943 3.5216 3.5912 3.6016 6.6029 6.6055 6.9445 6.9531 7.2606 7.2632 7.3488 7.3518 7.3713 7.3779 7.9917 7.9995 8.2228 8.2261 8.2883 8.2938 k = 0.5000 0.2887 0.2916 ( 37052 PWs) bands (ev): -43.8827 -43.8827 -43.8737 -43.8737 -41.6160 -41.6160 -41.6148 -41.6148 -22.9260 -22.9260 -22.9233 -22.9233 -22.4977 -22.4977 -22.4811 -22.4811 -22.3060 -22.3060 -22.2113 -22.2113 -7.8646 -7.8642 -7.7030 -7.7027 -7.5201 -7.5201 -7.5123 -7.5117 -7.4744 -7.4738 -7.4333 -7.4333 0.4103 0.4129 0.7058 0.7315 0.8166 0.8825 1.0117 1.1194 1.1612 1.2285 1.5338 1.6085 1.8553 1.9003 2.0104 2.0323 2.1369 2.1856 2.2949 2.3071 2.4880 2.5023 2.5573 2.7121 2.7391 2.8031 2.8837 2.9508 2.9800 3.0558 3.2024 3.3408 3.4198 3.5199 3.6069 3.6154 6.5408 6.5434 6.9301 6.9384 7.2644 7.2656 7.3710 7.3749 7.3967 7.4029 8.0016 8.0106 8.2343 8.2378 8.3268 8.3302 k = 0.5000 0.2887 0.2691 ( 37066 PWs) bands (ev): -43.8830 -43.8830 -43.8734 -43.8734 -41.6160 -41.6160 -41.6147 -41.6147 -22.9262 -22.9262 -22.9233 -22.9233 -22.4983 -22.4983 -22.4805 -22.4805 -22.3093 -22.3093 -22.2077 -22.2077 -7.8771 -7.8767 -7.7103 -7.7100 -7.5224 -7.5224 -7.5025 -7.5018 -7.4629 -7.4623 -7.4304 -7.4304 0.4101 0.4132 0.7163 0.7355 0.8226 0.8836 1.0070 1.1187 1.1742 1.2381 1.5676 1.6374 1.8237 1.8836 1.9932 2.0065 2.1153 2.1644 2.2877 2.3052 2.4672 2.5023 2.5737 2.6843 2.7438 2.7810 2.8714 2.9462 2.9602 3.0514 3.2338 3.3336 3.4511 3.5172 3.6226 3.6276 6.4813 6.4838 6.9165 6.9245 7.2675 7.2677 7.3946 7.3988 7.4223 7.4279 7.9977 8.0070 8.2476 8.2512 8.3748 8.3764 k = 0.5000 0.2887 0.2467 ( 37052 PWs) bands (ev): -43.8833 -43.8833 -43.8731 -43.8731 -41.6160 -41.6160 -41.6147 -41.6147 -22.9264 -22.9264 -22.9233 -22.9233 -22.4988 -22.4988 -22.4799 -22.4799 -22.3123 -22.3123 -22.2044 -22.2044 -7.8887 -7.8884 -7.7171 -7.7168 -7.5250 -7.5250 -7.4933 -7.4927 -7.4514 -7.4509 -7.4277 -7.4276 0.4109 0.4144 0.7219 0.7310 0.8381 0.8882 1.0060 1.1189 1.1864 1.2464 1.6012 1.6645 1.7928 1.8663 1.9771 1.9814 2.0930 2.1435 2.2821 2.3031 2.4476 2.5009 2.5915 2.6564 2.7452 2.7583 2.8605 2.9399 2.9471 3.0464 3.2614 3.3213 3.4842 3.5157 3.6380 3.6384 6.4247 6.4270 6.9038 6.9113 7.2696 7.2700 7.4188 7.4231 7.4475 7.4526 7.9852 7.9942 8.2626 8.2663 8.4270 8.4272 k = 0.5000 0.2887 0.2243 ( 37084 PWs) bands (ev): -43.8836 -43.8836 -43.8728 -43.8728 -41.6161 -41.6161 -41.6146 -41.6146 -22.9266 -22.9266 -22.9234 -22.9234 -22.4994 -22.4994 -22.4794 -22.4794 -22.3152 -22.3152 -22.2012 -22.2012 -7.8995 -7.8992 -7.7234 -7.7231 -7.5276 -7.5276 -7.4850 -7.4846 -7.4402 -7.4398 -7.4252 -7.4251 0.4124 0.4162 0.7223 0.7228 0.8584 0.8963 1.0084 1.1196 1.1978 1.2534 1.6340 1.6893 1.7635 1.8478 1.9578 1.9617 2.0710 2.1247 2.2772 2.3011 2.4302 2.4978 2.6093 2.6306 2.7357 2.7428 2.8513 2.9200 2.9526 3.0411 3.2820 3.3054 3.5175 3.5176 3.6480 3.6529 6.3712 6.3734 6.8921 6.8990 7.2712 7.2721 7.4432 7.4473 7.4720 7.4766 7.9680 7.9763 8.2791 8.2827 8.4771 8.4796 k = 0.5000 0.2887 0.2019 ( 37072 PWs) bands (ev): -43.8838 -43.8838 -43.8725 -43.8725 -41.6161 -41.6161 -41.6146 -41.6146 -22.9268 -22.9268 -22.9234 -22.9234 -22.4998 -22.4998 -22.4789 -22.4789 -22.3177 -22.3177 -22.1984 -22.1984 -7.9093 -7.9091 -7.7291 -7.7289 -7.5300 -7.5300 -7.4777 -7.4773 -7.4297 -7.4293 -7.4229 -7.4228 0.4146 0.4185 0.7125 0.7198 0.8804 0.9076 1.0133 1.1204 1.2083 1.2592 1.6652 1.7112 1.7369 1.8275 1.9369 1.9464 2.0506 2.1087 2.2724 2.2993 2.4151 2.4926 2.6076 2.6256 2.7147 2.7379 2.8439 2.9011 2.9614 3.0354 3.2868 3.2933 3.5248 3.5500 3.6564 3.6672 6.3212 6.3233 6.8813 6.8876 7.2727 7.2738 7.4671 7.4709 7.4953 7.4995 7.9485 7.9561 8.2967 8.3004 8.5105 8.5155 k = 0.5000 0.2887 0.1794 ( 37072 PWs) bands (ev): -43.8841 -43.8841 -43.8723 -43.8723 -41.6161 -41.6161 -41.6146 -41.6146 -22.9269 -22.9269 -22.9234 -22.9234 -22.5003 -22.5003 -22.4785 -22.4785 -22.3201 -22.3201 -22.1957 -22.1957 -7.9183 -7.9180 -7.7343 -7.7341 -7.5322 -7.5322 -7.4711 -7.4708 -7.4208 -7.4208 -7.4198 -7.4196 0.4172 0.4212 0.7029 0.7142 0.9029 0.9212 1.0201 1.1207 1.2180 1.2640 1.6889 1.7186 1.7297 1.8049 1.9204 1.9308 2.0330 2.0955 2.2676 2.2977 2.4022 2.4856 2.5873 2.6368 2.6988 2.7320 2.8388 2.8837 2.9715 3.0292 3.2664 3.2950 3.5379 3.5811 3.6636 3.6807 6.2751 6.2770 6.8715 6.8771 7.2739 7.2752 7.4898 7.4933 7.5172 7.5210 7.9285 7.9353 8.3151 8.3188 8.5062 8.5093 k = 0.5000 0.2887 0.1570 ( 37064 PWs) bands (ev): -43.8843 -43.8843 -43.8721 -43.8721 -41.6162 -41.6162 -41.6145 -41.6145 -22.9271 -22.9271 -22.9234 -22.9234 -22.5007 -22.5007 -22.4781 -22.4781 -22.3222 -22.3222 -22.1934 -22.1934 -7.9262 -7.9260 -7.7390 -7.7388 -7.5342 -7.5341 -7.4654 -7.4652 -7.4190 -7.4189 -7.4110 -7.4108 0.4201 0.4241 0.6940 0.7071 0.9249 0.9363 1.0277 1.1200 1.2270 1.2677 1.6811 1.7328 1.7441 1.7803 1.9093 1.9147 2.0192 2.0845 2.2629 2.2963 2.3917 2.4773 2.5691 2.6350 2.6957 2.7268 2.8364 2.8684 2.9815 3.0223 3.2453 3.2886 3.5554 3.6104 3.6696 3.6932 6.2332 6.2349 6.8628 6.8678 7.2750 7.2763 7.5110 7.5140 7.5374 7.5407 7.9091 7.9150 8.3337 8.3373 8.4934 8.4956 k = 0.5000 0.2887 0.1346 ( 37078 PWs) bands (ev): -43.8845 -43.8845 -43.8719 -43.8719 -41.6162 -41.6162 -41.6145 -41.6145 -22.9272 -22.9272 -22.9234 -22.9234 -22.5010 -22.5010 -22.4777 -22.4777 -22.3240 -22.3240 -22.1914 -22.1914 -7.9331 -7.9329 -7.7430 -7.7428 -7.5359 -7.5359 -7.4604 -7.4602 -7.4173 -7.4173 -7.4031 -7.4029 0.4231 0.4269 0.6862 0.6994 0.9461 0.9525 1.0354 1.1178 1.2351 1.2704 1.6634 1.7530 1.7557 1.7576 1.8991 1.9039 2.0092 2.0748 2.2587 2.2947 2.3838 2.4686 2.5525 2.6205 2.7050 2.7232 2.8369 2.8560 2.9898 3.0145 3.2247 3.2766 3.5752 3.6372 3.6744 3.7045 6.1958 6.1973 6.8552 6.8595 7.2759 7.2772 7.5300 7.5325 7.5556 7.5583 7.8911 7.8962 8.3519 8.3555 8.4792 8.4807 k = 0.5000 0.2887 0.1121 ( 37076 PWs) bands (ev): -43.8846 -43.8846 -43.8718 -43.8718 -41.6162 -41.6162 -41.6145 -41.6145 -22.9274 -22.9274 -22.9234 -22.9234 -22.5013 -22.5013 -22.4775 -22.4775 -22.3255 -22.3255 -22.1896 -22.1896 -7.9390 -7.9389 -7.7465 -7.7463 -7.5374 -7.5374 -7.4562 -7.4561 -7.4160 -7.4159 -7.3963 -7.3962 0.4261 0.4295 0.6797 0.6918 0.9661 0.9692 1.0423 1.1137 1.2425 1.2721 1.6481 1.7281 1.7613 1.7796 1.8859 1.9032 2.0027 2.0652 2.2556 2.2926 2.3787 2.4599 2.5374 2.6014 2.7177 2.7214 2.8403 2.8478 2.9946 3.0055 3.2064 3.2615 3.5952 3.6611 3.6778 3.7144 6.1634 6.1647 6.8487 6.8523 7.2767 7.2779 7.5466 7.5487 7.5714 7.5737 7.8751 7.8794 8.3690 8.3725 8.4654 8.4662 k = 0.5000 0.2887 0.0897 ( 37086 PWs) bands (ev): -43.8847 -43.8847 -43.8716 -43.8716 -41.6162 -41.6162 -41.6145 -41.6145 -22.9275 -22.9275 -22.9235 -22.9235 -22.5015 -22.5015 -22.4772 -22.4772 -22.3268 -22.3268 -22.1882 -22.1882 -7.9438 -7.9437 -7.7493 -7.7492 -7.5387 -7.5386 -7.4528 -7.4527 -7.4148 -7.4148 -7.3906 -7.3905 0.4288 0.4318 0.6745 0.6849 0.9844 0.9861 1.0479 1.1075 1.2492 1.2730 1.6363 1.7032 1.7657 1.7951 1.8784 1.9055 1.9992 2.0549 2.2541 2.2894 2.3771 2.4510 2.5247 2.5817 2.7214 2.7285 2.8451 2.8466 2.9946 2.9953 3.1923 3.2453 3.6141 3.6779 3.6836 3.7226 6.1363 6.1374 6.8435 6.8464 7.2773 7.2783 7.5605 7.5621 7.5847 7.5866 7.8616 7.8651 8.3844 8.3878 8.4530 8.4531 k = 0.5000 0.2887 0.0673 ( 37066 PWs) bands (ev): -43.8848 -43.8848 -43.8715 -43.8715 -41.6162 -41.6162 -41.6145 -41.6145 -22.9276 -22.9276 -22.9235 -22.9235 -22.5017 -22.5017 -22.4770 -22.4770 -22.3278 -22.3278 -22.1870 -22.1870 -7.9476 -7.9475 -7.7515 -7.7514 -7.5396 -7.5396 -7.4501 -7.4500 -7.4139 -7.4139 -7.3862 -7.3861 0.4312 0.4336 0.6707 0.6789 1.0006 1.0025 1.0518 1.0992 1.2550 1.2730 1.6288 1.6806 1.7693 1.8005 1.8800 1.9089 1.9982 2.0437 2.2546 2.2850 2.3792 2.4411 2.5160 2.5631 2.7229 2.7350 2.8490 2.8551 2.9843 2.9893 3.1839 3.2293 3.6309 3.6788 3.7000 3.7286 6.1149 6.1157 6.8394 6.8416 7.2779 7.2787 7.5715 7.5727 7.5954 7.5967 7.8509 7.8536 8.3972 8.4006 8.4421 8.4427 k = 0.5000 0.2887 0.0449 ( 37076 PWs) bands (ev): -43.8849 -43.8849 -43.8715 -43.8715 -41.6163 -41.6163 -41.6145 -41.6145 -22.9276 -22.9276 -22.9235 -22.9235 -22.5018 -22.5018 -22.4769 -22.4769 -22.3285 -22.3285 -22.1862 -22.1862 -7.9503 -7.9503 -7.7531 -7.7530 -7.5403 -7.5403 -7.4482 -7.4481 -7.4133 -7.4133 -7.3830 -7.3829 0.4331 0.4348 0.6684 0.6740 1.0143 1.0175 1.0544 1.0889 1.2601 1.2721 1.6259 1.6611 1.7731 1.7975 1.8890 1.9114 1.9996 2.0319 2.2571 2.2795 2.3848 2.4296 2.5126 2.5464 2.7255 2.7368 2.8580 2.8643 2.9736 2.9798 3.1815 3.2146 3.6453 3.6769 3.7137 3.7320 6.0994 6.1000 6.8367 6.8381 7.2783 7.2788 7.5795 7.5802 7.6031 7.6040 7.8433 7.8450 8.4072 8.4104 8.4335 8.4350 k = 0.5000 0.2887 0.0224 ( 37060 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6145 -41.6145 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3289 -22.3289 -22.1857 -22.1857 -7.9520 -7.9519 -7.7540 -7.7540 -7.5408 -7.5407 -7.4470 -7.4470 -7.4129 -7.4129 -7.3810 -7.3810 0.4345 0.4354 0.6677 0.6705 1.0247 1.0282 1.0579 1.0773 1.2644 1.2704 1.6276 1.6454 1.7779 1.7908 1.8995 1.9114 2.0036 2.0204 2.2614 2.2732 2.3936 2.4171 2.5146 2.5322 2.7288 2.7353 2.8680 2.8718 2.9655 2.9695 3.1844 3.2018 3.6571 3.6727 3.7236 3.7326 6.0901 6.0904 6.8351 6.8359 7.2786 7.2789 7.5844 7.5847 7.6079 7.6083 7.8388 7.8397 8.4140 8.4166 8.4279 8.4297 k = 0.5000 0.2887-0.0000 ( 37060 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.9525 -7.9525 -7.7543 -7.7543 -7.5409 -7.5409 -7.4466 -7.4466 -7.4128 -7.4128 -7.3804 -7.3804 0.4353 0.4353 0.6684 0.6684 1.0303 1.0303 1.0659 1.0659 1.2678 1.2678 1.6342 1.6342 1.7839 1.7839 1.9075 1.9075 2.0106 2.0106 2.2670 2.2670 2.4047 2.4047 2.5214 2.5214 2.7323 2.7323 2.8737 2.8737 2.9636 2.9636 3.1915 3.1915 3.6662 3.6662 3.7299 3.7299 6.0871 6.0871 6.8349 6.8349 7.2788 7.2788 7.5861 7.5861 7.6096 7.6096 7.8376 7.8376 8.4177 8.4177 8.4268 8.4268 k = 0.3333 0.5774-0.0000 ( 37026 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5020 -22.5020 -22.4768 -22.4768 -22.3291 -22.3291 -22.1856 -22.1856 -7.8992 -7.8989 -7.7321 -7.7302 -7.6560 -7.6538 -7.4373 -7.4370 -7.4002 -7.4000 -7.3726 -7.3725 0.6676 0.6929 0.7072 0.7499 0.8805 1.0764 1.1103 1.1228 1.1246 1.1691 1.4439 1.4477 1.6112 1.6386 1.6750 1.7185 1.8582 1.9846 2.3880 2.5205 2.6442 2.6448 2.6590 2.6844 2.7478 2.7876 2.8139 2.8319 2.9505 3.0111 3.0934 3.3138 3.5136 3.5734 3.8173 3.8297 6.0276 6.0356 6.8874 6.9051 7.0372 7.0788 7.5872 7.5883 7.5942 7.5953 8.1760 8.1821 8.2878 8.2952 8.6799 8.6831 k = 0.3333 0.5774 0.0224 ( 37053 PWs) bands (ev): -43.8850 -43.8850 -43.8714 -43.8714 -41.6163 -41.6163 -41.6144 -41.6144 -22.9277 -22.9277 -22.9235 -22.9235 -22.5019 -22.5019 -22.4768 -22.4768 -22.3289 -22.3289 -22.1857 -22.1857 -7.8987 -7.8984 -7.7318 -7.7299 -7.6557 -7.6535 -7.4376 -7.4374 -7.4005 -7.4002 -7.3732 -7.3731 0.6617 0.6803 0.7199 0.7569 0.8786 1.0762 1.0966 1.1234 1.1346 1.1669 1.4448 1.4505 1.6082 1.6409 1.6759 1.7245 1.8571 1.9848 2.3886 2.5199 2.6179 2.6566 2.6731 2.6805 2.7480 2.7869 2.8175 2.8307 2.9512 3.0120 3.0975 3.3163 3.5118 3.5721 3.8165 3.8290 6.0308 6.0388 6.8877 6.9054 7.0376 7.0792 7.5856 7.5866 7.5928 7.5935 8.1750 8.1809 8.2856 8.2929 8.6763 8.6796 k = 0.3333 0.5774 0.0449 ( 37071 PWs) bands (ev): -43.8849 -43.8849 -43.8715 -43.8715 -41.6163 -41.6163 -41.6145 -41.6145 -22.9276 -22.9276 -22.9235 -22.9235 -22.5018 -22.5018 -22.4769 -22.4769 -22.3285 -22.3285 -22.1862 -22.1862 -7.8972 -7.8968 -7.7309 -7.7290 -7.6549 -7.6527 -7.4386 -7.4384 -7.4013 -7.4011 -7.3751 -7.3750 0.6483 0.6632 0.7373 0.7737 0.8731 1.0755 1.0777 1.1201 1.1479 1.1607 1.4474 1.4590 1.6008 1.6474 1.6787 1.7401 1.8544 1.9852 2.3903 2.5178 2.5942 2.6496 2.6701 2.7030 2.7479 2.7854 2.8271 2.8274 2.9530 3.0148 3.1093 3.3237 3.5065 3.5684 3.8144 3.8269 6.0402 6.0483 6.8886 6.9062 7.0390 7.0804 7.5806 7.5817 7.5884 7.5885 8.1718 8.1773 8.2791 8.2864 8.6655 8.6692 k = 0.3333 0.5774 0.0673 ( 37095 PWs) bands (ev): -43.8848 -43.8848 -43.8715 -43.8715 -41.6163 -41.6163 -41.6145 -41.6145 -22.9276 -22.9276 -22.9235 -22.9235 -22.5017 -22.5017 -22.4770 -22.4770 -22.3278 -22.3278 -22.1870 -22.1870 -7.8946 -7.8942 -7.7294 -7.7275 -7.6536 -7.6514 -7.4402 -7.4400 -7.4027 -7.4025 -7.3781 -7.3780 0.6323 0.6468 0.7538 0.7950 0.8646 1.0591 1.0738 1.1147 1.1509 1.1574 1.4515 1.4729 1.5916 1.6579 1.6838 1.7597 1.8528 1.9863 2.3930 2.5139 2.5742 2.6392 2.6559 2.7333 2.7471 2.7837 2.8212 2.8414 2.9560 3.0195 3.1277 3.3353 3.4977 3.5623 3.8108 3.8234 6.0559 6.0639 6.8901 6.9077 7.0412 7.0825 7.5720 7.5741 7.5800 7.5815 8.1668 8.1718 8.2689 8.2763 8.6477 8.6517 k = 0.3333 0.5774 0.0897 ( 37119 PWs) bands (ev): -43.8847 -43.8847 -43.8716 -43.8716 -41.6162 -41.6162 -41.6145 -41.6145 -22.9275 -22.9275 -22.9235 -22.9235 -22.5015 -22.5015 -22.4772 -22.4772 -22.3268 -22.3268 -22.1882 -22.1882 -7.8910 -7.8906 -7.7273 -7.7255 -7.6518 -7.6496 -7.4425 -7.4423 -7.4047 -7.4044 -7.3824 -7.3823 0.6164 0.6316 0.7683 0.8179 0.8539 1.0422 1.0707 1.1077 1.1382 1.1623 1.4566 1.4916 1.5823 1.6714 1.6918 1.7747 1.8594 1.9882 2.3960 2.5078 2.5587 2.6275 2.6400 2.7455 2.7635 2.7806 2.8150 2.8576 2.9601 3.0261 3.1511 3.3502 3.4854 3.5538 3.8056 3.8185 6.0776 6.0856 6.8922 6.9096 7.0444 7.0853 7.5599 7.5637 7.5682 7.5718 8.1604 8.1646 8.2559 8.2635 8.6232 8.6272 k = 0.3333 0.5774 0.1121 ( 37119 PWs) bands (ev): -43.8846 -43.8846 -43.8718 -43.8718 -41.6162 -41.6162 -41.6145 -41.6145 -22.9274 -22.9274 -22.9234 -22.9234 -22.5013 -22.5013 -22.4775 -22.4775 -22.3255 -22.3255 -22.1896 -22.1896 -7.8863 -7.8860 -7.7246 -7.7228 -7.6494 -7.6472 -7.4455 -7.4452 -7.4072 -7.4069 -7.3878 -7.3877 0.6017 0.6180 0.7798 0.8411 0.8416 1.0278 1.0659 1.0995 1.1234 1.1624 1.4620 1.5142 1.5731 1.6876 1.7037 1.7771 1.8816 1.9915 2.3986 2.4996 2.5477 2.6167 2.6234 2.7431 2.7730 2.7928 2.8126 2.8748 2.9651 3.0344 3.1777 3.3674 3.4697 3.5431 3.7990 3.8123 6.1051 6.1131 6.8949 6.9121 7.0483 7.0890 7.5445 7.5507 7.5533 7.5596 8.1529 8.1564 8.2411 8.2490 8.5924 8.5963 k = 0.3333 0.5774 0.1346 ( 37113 PWs) bands (ev): -43.8845 -43.8845 -43.8719 -43.8719 -41.6162 -41.6162 -41.6145 -41.6145 -22.9273 -22.9273 -22.9234 -22.9234 -22.5010 -22.5010 -22.4778 -22.4777 -22.3240 -22.3240 -22.1914 -22.1914 -7.8807 -7.8804 -7.7214 -7.7196 -7.6465 -7.6444 -7.4490 -7.4487 -7.4102 -7.4099 -7.3944 -7.3943 0.5886 0.6061 0.7875 0.8285 0.8635 1.0165 1.0590 1.0908 1.1072 1.1580 1.4666 1.5395 1.5638 1.7058 1.7202 1.7700 1.9168 1.9966 2.3998 2.4905 2.5402 2.6069 2.6090 2.7401 2.7595 2.8161 2.8206 2.8920 2.9708 3.0445 3.2059 3.3860 3.4507 3.5303 3.7909 3.8048 6.1381 6.1461 6.8982 6.9152 7.0531 7.0933 7.5260 7.5353 7.5355 7.5450 8.1448 8.1477 8.2253 8.2339 8.5557 8.5594 k = 0.3333 0.5774 0.1570 ( 37122 PWs) bands (ev): -43.8843 -43.8843 -43.8721 -43.8721 -41.6162 -41.6162 -41.6145 -41.6145 -22.9271 -22.9271 -22.9234 -22.9234 -22.5007 -22.5007 -22.4781 -22.4781 -22.3222 -22.3222 -22.1934 -22.1934 -7.8741 -7.8738 -7.7176 -7.7158 -7.6432 -7.6411 -7.4532 -7.4529 -7.4138 -7.4134 -7.4021 -7.4020 0.5774 0.5963 0.7913 0.8152 0.8843 1.0080 1.0498 1.0823 1.0902 1.1497 1.4692 1.5536 1.5666 1.7259 1.7422 1.7603 1.9595 2.0039 2.3987 2.4818 2.5346 2.5908 2.6066 2.7365 2.7422 2.8243 2.8464 2.9088 2.9771 3.0563 3.2345 3.4050 3.4286 3.5157 3.7812 3.7960 6.1764 6.1843 6.9020 6.9188 7.0587 7.0984 7.5048 7.5149 7.5177 7.5284 8.1367 8.1390 8.2094 8.2189 8.5136 8.5171 k = 0.3333 0.5774 0.1794 ( 37113 PWs) bands (ev): -43.8841 -43.8841 -43.8723 -43.8723 -41.6161 -41.6161 -41.6146 -41.6146 -22.9269 -22.9269 -22.9234 -22.9234 -22.5003 -22.5003 -22.4785 -22.4785 -22.3201 -22.3201 -22.1957 -22.1957 -7.8666 -7.8662 -7.7132 -7.7114 -7.6393 -7.6372 -7.4579 -7.4576 -7.4178 -7.4174 -7.4108 -7.4108 0.5683 0.5886 0.7915 0.8022 0.9029 1.0019 1.0385 1.0728 1.0742 1.1381 1.4687 1.5412 1.5948 1.7477 1.7525 1.7699 2.0068 2.0134 2.3946 2.4744 2.5301 2.5754 2.6105 2.7233 2.7322 2.8359 2.8698 2.9247 2.9838 3.0694 3.2621 3.4034 3.4237 3.4994 3.7700 3.7860 6.2196 6.2274 6.9063 6.9229 7.0651 7.1042 7.4811 7.4920 7.4984 7.5101 8.1289 8.1308 8.1942 8.2047 8.4664 8.4698 k = 0.3333 0.5774 0.2019 ( 37077 PWs) bands (ev): -43.8838 -43.8838 -43.8725 -43.8725 -41.6161 -41.6161 -41.6146 -41.6146 -22.9268 -22.9268 -22.9234 -22.9234 -22.4998 -22.4998 -22.4789 -22.4789 -22.3177 -22.3177 -22.1983 -22.1983 -7.8581 -7.8578 -7.7083 -7.7066 -7.6350 -7.6330 -7.4632 -7.4629 -7.4224 -7.4219 -7.4206 -7.4205 0.5615 0.5830 0.7887 0.7899 0.9189 0.9968 1.0253 1.0553 1.0669 1.1236 1.4642 1.5254 1.6243 1.7499 1.7712 1.8031 2.0251 2.0571 2.3876 2.4685 2.5261 2.5606 2.6202 2.7045 2.7273 2.8504 2.8903 2.9392 2.9912 3.0839 3.2878 3.3754 3.4415 3.4816 3.7572 3.7747 6.2672 6.2750 6.9112 6.9276 7.0721 7.1106 7.4554 7.4670 7.4776 7.4905 8.1217 8.1234 8.1801 8.1920 8.4145 8.4178 k = 0.3333 0.5774 0.2243 ( 37068 PWs) bands (ev): -43.8836 -43.8836 -43.8728 -43.8728 -41.6161 -41.6161 -41.6146 -41.6146 -22.9266 -22.9266 -22.9234 -22.9234 -22.4994 -22.4994 -22.4794 -22.4794 -22.3152 -22.3152 -22.2012 -22.2012 -7.8487 -7.8484 -7.7029 -7.7012 -7.6303 -7.6283 -7.4691 -7.4687 -7.4314 -7.4314 -7.4273 -7.4269 0.5569 0.5796 0.7786 0.7841 0.9319 0.9915 1.0107 1.0377 1.0606 1.1067 1.4555 1.5052 1.6555 1.7547 1.7962 1.8410 2.0387 2.1096 2.3784 2.4642 2.5225 2.5466 2.6325 2.6890 2.7215 2.8676 2.9076 2.9517 2.9995 3.0993 3.3109 3.3448 3.4578 3.4626 3.7428 3.7621 6.3191 6.3267 6.9167 6.9328 7.0797 7.1176 7.4281 7.4405 7.4559 7.4700 8.1155 8.1173 8.1676 8.1810 8.3580 8.3613 k = 0.3333 0.5774 0.2467 ( 37056 PWs) bands (ev): -43.8833 -43.8833 -43.8731 -43.8731 -41.6160 -41.6160 -41.6147 -41.6147 -22.9264 -22.9264 -22.9233 -22.9233 -22.4988 -22.4988 -22.4799 -22.4799 -22.3123 -22.3123 -22.2043 -22.2043 -7.8384 -7.8382 -7.6970 -7.6954 -7.6251 -7.6231 -7.4754 -7.4750 -7.4430 -7.4430 -7.4327 -7.4323 0.5546 0.5784 0.7685 0.7787 0.9418 0.9850 0.9951 1.0205 1.0552 1.0878 1.4427 1.4808 1.6891 1.7677 1.8225 1.8824 2.0536 2.1637 2.3679 2.4611 2.5192 2.5331 2.6357 2.6882 2.7148 2.8875 2.9215 2.9615 3.0094 3.1155 3.3120 3.3307 3.4428 3.4719 3.7269 3.7482 6.3746 6.3821 6.9226 6.9385 7.0879 7.1251 7.3996 7.4127 7.4338 7.4490 8.1106 8.1124 8.1570 8.1721 8.2972 8.3005 k = 0.3333 0.5774 0.2691 ( 37056 PWs) bands (ev): -43.8830 -43.8830 -43.8734 -43.8734 -41.6160 -41.6160 -41.6147 -41.6147 -22.9262 -22.9262 -22.9233 -22.9233 -22.4983 -22.4983 -22.4805 -22.4805 -22.3093 -22.3093 -22.2077 -22.2077 -7.8274 -7.8271 -7.6907 -7.6890 -7.6195 -7.6176 -7.4823 -7.4818 -7.4556 -7.4555 -7.4386 -7.4381 0.5546 0.5795 0.7598 0.7732 0.9479 0.9767 0.9786 1.0043 1.0512 1.0672 1.4261 1.4529 1.7255 1.7886 1.8496 1.9264 2.0695 2.2188 2.3570 2.4589 2.5165 2.5202 2.6227 2.7069 2.7084 2.9099 2.9313 2.9682 3.0210 3.1325 3.2774 3.3466 3.4224 3.4834 3.7094 3.7329 6.4335 6.4409 6.9292 6.9448 7.0966 7.1330 7.3703 7.3841 7.4116 7.4281 8.1070 8.1091 8.1486 8.1654 8.2325 8.2358 k = 0.3333 0.5774 0.2916 ( 37050 PWs) bands (ev): -43.8827 -43.8827 -43.8737 -43.8737 -41.6160 -41.6160 -41.6148 -41.6148 -22.9260 -22.9260 -22.9233 -22.9233 -22.4977 -22.4977 -22.4811 -22.4811 -22.3060 -22.3060 -22.2113 -22.2113 -7.8155 -7.8152 -7.6838 -7.6823 -7.6135 -7.6116 -7.4896 -7.4890 -7.4689 -7.4689 -7.4448 -7.4443 0.5570 0.5829 0.7526 0.7683 0.9483 0.9616 0.9662 0.9916 1.0452 1.0486 1.4065 1.4224 1.7649 1.8165 1.8771 1.9721 2.0857 2.2742 2.3463 2.4571 2.5076 2.5150 2.6038 2.6974 2.7385 2.9350 2.9364 2.9721 3.0342 3.1500 3.2417 3.3583 3.4020 3.4919 3.6903 3.7162 6.4955 6.5027 6.9362 6.9517 7.1058 7.1414 7.3407 7.3552 7.3898 7.4075 8.1050 8.1071 8.1425 8.1608 8.1644 8.1677 k = 0.3333 0.5774 0.3140 ( 37065 PWs) bands (ev): -43.8823 -43.8823 -43.8741 -43.8741 -41.6159 -41.6159 -41.6148 -41.6148 -22.9258 -22.9258 -22.9233 -22.9233 -22.4970 -22.4970 -22.4817 -22.4817 -22.3025 -22.3025 -22.2151 -22.2151 -7.8029 -7.8026 -7.6766 -7.6751 -7.6072 -7.6054 -7.4972 -7.4967 -7.4829 -7.4829 -7.4514 -7.4508 0.5615 0.5884 0.7471 0.7645 0.9397 0.9441 0.9536 0.9861 1.0222 1.0477 1.3844 1.3904 1.8072 1.8504 1.9044 2.0185 2.1016 2.3290 2.3365 2.4552 2.4951 2.5153 2.5834 2.6860 2.7736 2.9361 2.9624 2.9742 3.0480 3.1670 3.2070 3.3655 3.3822 3.4970 3.6697 3.6980 6.5600 6.5672 6.9439 6.9592 7.1153 7.1500 7.3112 7.3263 7.3688 7.3877 8.0882 8.0957 8.1047 8.1118 8.1390 8.1594 k = 0.3333 0.5774 0.3364 ( 37053 PWs) bands (ev): -43.8820 -43.8820 -43.8744 -43.8744 -41.6159 -41.6159 -41.6149 -41.6149 -22.9255 -22.9255 -22.9233 -22.9233 -22.4964 -22.4964 -22.4824 -22.4824 -22.2989 -22.2989 -22.2190 -22.2190 -7.7895 -7.7893 -7.6690 -7.6675 -7.6005 -7.5987 -7.5053 -7.5047 -7.4976 -7.4975 -7.4584 -7.4577 0.5683 0.5961 0.7432 0.7619 0.9232 0.9264 0.9390 0.9874 0.9984 1.0485 1.3576 1.3605 1.8522 1.8891 1.9312 2.0650 2.1165 2.3280 2.3813 2.4536 2.4824 2.5187 2.5626 2.6723 2.8119 2.9297 2.9752 2.9923 3.0617 3.1618 3.1957 3.3637 3.3681 3.4984 3.6477 3.6782 6.6269 6.6339 6.9523 6.9675 7.1250 7.1590 7.2821 7.2978 7.3488 7.3688 8.0161 8.0214 8.1062 8.1117 8.1381 8.1602 k = 0.3333 0.5774 0.3589 ( 37038 PWs) bands (ev): -43.8816 -43.8816 -43.8748 -43.8748 -41.6158 -41.6158 -41.6149 -41.6149 -22.9253 -22.9253 -22.9234 -22.9234 -22.4957 -22.4957 -22.4831 -22.4831 -22.2950 -22.2950 -22.2232 -22.2232 -7.7756 -7.7753 -7.6610 -7.6596 -7.5935 -7.5918 -7.5141 -7.5131 -7.5129 -7.5124 -7.4656 -7.4649 0.5772 0.6060 0.7411 0.7609 0.9029 0.9087 0.9227 0.9742 0.9921 1.0512 1.3247 1.3355 1.8993 1.9318 1.9572 2.1111 2.1298 2.3215 2.4206 2.4602 2.4691 2.5269 2.5418 2.6558 2.8522 2.9166 2.9760 3.0242 3.0742 3.1286 3.2146 3.3477 3.3661 3.4957 3.6243 3.6567 6.6958 6.7027 6.9613 6.9765 7.1350 7.1681 7.2538 7.2698 7.3300 7.3512 7.9396 7.9450 8.1095 8.1157 8.1400 8.1637 k = 0.3333 0.5774 0.3813 ( 37041 PWs) bands (ev): -43.8812 -43.8812 -43.8752 -43.8752 -41.6158 -41.6158 -41.6150 -41.6150 -22.9251 -22.9251 -22.9234 -22.9234 -22.4950 -22.4949 -22.4838 -22.4838 -22.2910 -22.2910 -22.2274 -22.2274 -7.7610 -7.7608 -7.6527 -7.6513 -7.5862 -7.5846 -7.5287 -7.5287 -7.5223 -7.5217 -7.4731 -7.4723 0.5882 0.6178 0.7408 0.7616 0.8806 0.8911 0.9048 0.9500 0.9988 1.0559 1.2921 1.3099 1.9481 1.9772 1.9819 2.1405 2.1561 2.3178 2.4263 2.4550 2.4905 2.5212 2.5446 2.6363 2.8939 2.8964 2.9775 3.0578 3.0842 3.0946 3.2374 3.3353 3.3596 3.4889 3.5996 3.6336 6.7665 6.7733 6.9711 6.9864 7.1449 7.1774 7.2266 7.2428 7.3125 7.3348 7.8614 7.8670 8.1148 8.1219 8.1450 8.1699 k = 0.3333 0.5774 0.4037 ( 37086 PWs) bands (ev): -43.8808 -43.8808 -43.8756 -43.8756 -41.6157 -41.6157 -41.6150 -41.6150 -22.9249 -22.9249 -22.9234 -22.9234 -22.4942 -22.4942 -22.4846 -22.4846 -22.2868 -22.2868 -22.2318 -22.2318 -7.7459 -7.7457 -7.6441 -7.6427 -7.5787 -7.5771 -7.5449 -7.5449 -7.5313 -7.5306 -7.4808 -7.4800 0.6011 0.6316 0.7422 0.7639 0.8571 0.8738 0.8854 0.9265 1.0074 1.0626 1.2603 1.2841 1.9980 2.0054 2.0244 2.1478 2.1997 2.3175 2.4182 2.4394 2.5008 2.5169 2.5791 2.6136 2.8697 2.9363 2.9803 3.0615 3.0904 3.0927 3.2621 3.3281 3.3487 3.4778 3.5737 3.6089 6.8386 6.8455 6.9818 6.9972 7.1545 7.1868 7.2009 7.2168 7.2963 7.3196 7.7819 7.7878 8.1221 8.1303 8.1530 8.1790 k = 0.3333 0.5774 0.4261 ( 37065 PWs) bands (ev): -43.8804 -43.8804 -43.8760 -43.8760 -41.6156 -41.6156 -41.6151 -41.6151 -22.9247 -22.9247 -22.9235 -22.9235 -22.4934 -22.4934 -22.4853 -22.4853 -22.2825 -22.2825 -22.2363 -22.2363 -7.7302 -7.7300 -7.6352 -7.6339 -7.5709 -7.5694 -7.5614 -7.5614 -7.5405 -7.5397 -7.4887 -7.4878 0.6159 0.6472 0.7453 0.7680 0.8330 0.8569 0.8646 0.9040 1.0178 1.0713 1.2296 1.2585 2.0275 2.0484 2.0724 2.1511 2.2416 2.3211 2.4056 2.4220 2.4806 2.5356 2.5877 2.6244 2.8378 2.9789 2.9850 3.0294 3.0916 3.1281 3.2884 3.3274 3.3342 3.4625 3.5469 3.5827 6.9118 6.9189 6.9933 7.0090 7.1605 7.1801 7.1920 7.1962 7.2813 7.3058 7.7017 7.7079 8.1316 8.1408 8.1643 8.1911 k = 0.3333 0.5774 0.4486 ( 37071 PWs) bands (ev): -43.8799 -43.8799 -43.8764 -43.8764 -41.6156 -41.6156 -41.6151 -41.6151 -22.9246 -22.9246 -22.9235 -22.9235 -22.4926 -22.4926 -22.4861 -22.4861 -22.2781 -22.2781 -22.2409 -22.2409 -7.7142 -7.7140 -7.6261 -7.6249 -7.5783 -7.5782 -7.5630 -7.5615 -7.5498 -7.5490 -7.4968 -7.4959 0.6325 0.6645 0.7501 0.7738 0.8086 0.8407 0.8426 0.8830 1.0301 1.0821 1.2002 1.2335 2.0481 2.0985 2.1201 2.1503 2.2814 2.3287 2.3897 2.4023 2.4608 2.5535 2.5591 2.6714 2.8027 2.9917 2.9972 3.0211 3.0875 3.1625 3.3160 3.3171 3.3337 3.4433 3.5194 3.5550 6.9851 6.9934 7.0059 7.0228 7.1471 7.1689 7.1800 7.2056 7.2675 7.2932 7.6212 7.6277 8.1432 8.1535 8.1789 8.2063 k = 0.3333 0.5774 0.4710 ( 37086 PWs) bands (ev): -43.8795 -43.8795 -43.8769 -43.8769 -41.6155 -41.6155 -41.6152 -41.6152 -22.9244 -22.9244 -22.9236 -22.9236 -22.4918 -22.4918 -22.4869 -22.4869 -22.2736 -22.2736 -22.2456 -22.2456 -7.6978 -7.6976 -7.6168 -7.6156 -7.5954 -7.5953 -7.5593 -7.5585 -7.5549 -7.5535 -7.5050 -7.5040 0.6506 0.6834 0.7566 0.7811 0.7841 0.8199 0.8253 0.8638 1.0444 1.0949 1.1724 1.2094 2.0671 2.1457 2.1475 2.1665 2.3182 2.3396 2.3703 2.3803 2.4413 2.5283 2.5733 2.7145 2.7693 2.9643 3.0007 3.0622 3.0788 3.1925 3.3007 3.3448 3.3464 3.4204 3.4916 3.5262 7.0195 7.0327 7.0626 7.0687 7.1260 7.1488 7.1891 7.2149 7.2547 7.2820 7.5406 7.5476 8.1570 8.1685 8.1968 8.2246 k = 0.3333 0.5774 0.4934 ( 37086 PWs) bands (ev): -43.8791 -43.8791 -43.8773 -43.8773 -41.6155 -41.6155 -41.6152 -41.6152 -22.9242 -22.9242 -22.9237 -22.9237 -22.4910 -22.4910 -22.4878 -22.4877 -22.2690 -22.2690 -22.2503 -22.2503 -7.6811 -7.6809 -7.6125 -7.6124 -7.6074 -7.6063 -7.5689 -7.5680 -7.5467 -7.5454 -7.5133 -7.5122 0.6702 0.7037 0.7599 0.7646 0.7868 0.8000 0.8108 0.8463 1.0607 1.1097 1.1462 1.1864 2.0847 2.1379 2.1947 2.2104 2.3396 2.3470 2.3532 2.3681 2.4222 2.4960 2.5961 2.7173 2.7744 2.9298 3.0118 3.0669 3.1018 3.2082 3.2945 3.3642 3.3745 3.3943 3.4638 3.4965 7.0342 7.0489 7.1052 7.1108 7.1437 7.1550 7.1992 7.2239 7.2426 7.2727 7.4603 7.4679 8.1731 8.1857 8.2180 8.2462 k = 0.3333 0.5774 0.5158 ( 37116 PWs) bands (ev): -43.8786 -43.8786 -43.8777 -43.8777 -41.6154 -41.6154 -41.6153 -41.6153 -22.9241 -22.9241 -22.9238 -22.9238 -22.4902 -22.4902 -22.4886 -22.4886 -22.2644 -22.2644 -22.2550 -22.2550 -7.6641 -7.6640 -7.6298 -7.6297 -7.5978 -7.5968 -7.5786 -7.5776 -7.5384 -7.5371 -7.5216 -7.5205 0.6912 0.7251 0.7362 0.7701 0.7742 0.7973 0.8041 0.8304 1.0791 1.1219 1.1263 1.1648 2.1006 2.1275 2.2390 2.2511 2.3151 2.3196 2.3688 2.3960 2.4036 2.4629 2.6224 2.6850 2.8142 2.8933 3.0246 3.0530 3.1389 3.1985 3.3095 3.3659 3.3859 3.4048 3.4365 3.4661 7.0501 7.0651 7.0856 7.0995 7.2095 7.2126 7.2241 7.2312 7.2323 7.2711 7.3805 7.3893 8.1915 8.2051 8.2330 8.2464 k = 0.3333 0.5774 0.5383 ( 37104 PWs) bands (ev): -43.8782 -43.8782 -43.8782 -43.8782 -41.6154 -41.6154 -41.6154 -41.6154 -22.9239 -22.9239 -22.9239 -22.9239 -22.4894 -22.4894 -22.4894 -22.4894 -22.2597 -22.2597 -22.2597 -22.2597 -7.6470 -7.6470 -7.6469 -7.6469 -7.5882 -7.5882 -7.5872 -7.5872 -7.5300 -7.5300 -7.5288 -7.5288 0.7132 0.7132 0.7475 0.7475 0.7851 0.7851 0.8162 0.8162 1.0995 1.0995 1.1447 1.1447 2.1150 2.1150 2.2795 2.2795 2.2876 2.2876 2.3857 2.3857 2.4294 2.4294 2.6522 2.6522 2.8547 2.8547 3.0386 3.0386 3.1723 3.1723 3.3364 3.3364 3.4103 3.4103 3.4355 3.4355 7.0672 7.0672 7.0822 7.0822 7.2202 7.2202 7.2372 7.2372 7.3015 7.3015 7.3149 7.3149 8.2121 8.2121 8.2269 8.2269 Writing output data file LiScI3.save init_run : 2.94s CPU 9.73s WALL ( 1 calls) electrons : 3829.75s CPU 3854.77s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.31s CPU 1.48s WALL ( 1 calls) Called by electrons: c_bands : 3829.66s CPU 3854.50s WALL ( 1 calls) v_of_rho : 0.10s CPU 0.89s WALL ( 1 calls) v_h : 0.01s CPU 0.01s WALL ( 1 calls) v_xc : 0.09s CPU 0.63s WALL ( 1 calls) newd : 0.76s CPU 1.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.55s CPU 0.69s WALL ( 219 calls) cegterg : 3641.15s CPU 3661.95s WALL ( 723 calls) Called by sum_band: Called by *egterg: h_psi : 1821.90s CPU 1834.24s WALL ( 13380 calls) s_psi : 162.43s CPU 162.77s WALL ( 13380 calls) g_psi : 8.11s CPU 8.11s WALL ( 12438 calls) cdiaghg : 798.26s CPU 796.08s WALL ( 12657 calls) cegterg:over : 408.68s CPU 406.03s WALL ( 12438 calls) cegterg:upda : 251.62s CPU 255.13s WALL ( 12438 calls) cegterg:last : 169.30s CPU 170.05s WALL ( 1733 calls) Called by h_psi: h_psi:vloc : 1433.37s CPU 1442.66s WALL ( 13380 calls) h_psi:vnl : 373.45s CPU 375.87s WALL ( 13380 calls) add_vuspsi : 159.27s CPU 164.35s WALL ( 13380 calls) General routines calbec : 214.11s CPU 211.40s WALL ( 13380 calls) fft : 0.59s CPU 1.47s WALL ( 15 calls) fftw : 1342.38s CPU 1348.08s WALL ( 1706000 calls) davcio : 0.09s CPU 11.60s WALL ( 438 calls) Parallel routines fft_scatter : 578.08s CPU 576.79s WALL ( 1706015 calls) PWSCF : 1h 7m CPU 1h10m WALL This run was terminated on: 3:58:40 30Nov2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=