Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 9:46: 2 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 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./SbTe.save/ file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 14 8 2 2206 846 128 Max 15 9 3 2255 874 161 Sum 1069 583 163 161095 62113 10043 bravais-lattice index = 14 lattice parameter (alat) = 8.0502 a.u. unit-cell volume = 2534.8032 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 66.00 number of Kohn-Sham states= 80 kinetic-energy cutoff = 32.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.050233 celldm(2)= 1.000000 celldm(3)= 5.610329 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 5.610329 ) 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 0.178243 ) PseudoPot. # 1 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sb 5.00 121.76000 Sb( 1.00) Te 6.00 127.60000 Te( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -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 [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 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 [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 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 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 266 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037594 k( 2) = ( 0.0116279 0.0067134 -0.0000000), wk = 0.0037594 k( 3) = ( 0.0232558 0.0134267 -0.0000000), wk = 0.0037594 k( 4) = ( 0.0348837 0.0201401 -0.0000000), wk = 0.0037594 k( 5) = ( 0.0465116 0.0268535 -0.0000000), wk = 0.0037594 k( 6) = ( 0.0581395 0.0335669 -0.0000000), wk = 0.0037594 k( 7) = ( 0.0697674 0.0402803 -0.0000000), wk = 0.0037594 k( 8) = ( 0.0813954 0.0469936 -0.0000000), wk = 0.0037594 k( 9) = ( 0.0930233 0.0537070 -0.0000000), wk = 0.0037594 k( 10) = ( 0.1046512 0.0604204 -0.0000000), wk = 0.0037594 k( 11) = ( 0.1162791 0.0671338 -0.0000000), wk = 0.0037594 k( 12) = ( 0.1279070 0.0738471 -0.0000000), wk = 0.0037594 k( 13) = ( 0.1395349 0.0805605 -0.0000000), wk = 0.0037594 k( 14) = ( 0.1511628 0.0872739 -0.0000000), wk = 0.0037594 k( 15) = ( 0.1627907 0.0939873 -0.0000000), wk = 0.0037594 k( 16) = ( 0.1744186 0.1007006 -0.0000000), wk = 0.0037594 k( 17) = ( 0.1860465 0.1074140 -0.0000000), wk = 0.0037594 k( 18) = ( 0.1976744 0.1141274 -0.0000000), wk = 0.0037594 k( 19) = ( 0.2093023 0.1208408 -0.0000000), wk = 0.0037594 k( 20) = ( 0.2209302 0.1275541 -0.0000000), wk = 0.0037594 k( 21) = ( 0.2325581 0.1342675 -0.0000000), wk = 0.0037594 k( 22) = ( 0.2441860 0.1409809 -0.0000000), wk = 0.0037594 k( 23) = ( 0.2558140 0.1476943 -0.0000000), wk = 0.0037594 k( 24) = ( 0.2674419 0.1544076 -0.0000000), wk = 0.0037594 k( 25) = ( 0.2790698 0.1611210 -0.0000000), wk = 0.0037594 k( 26) = ( 0.2906977 0.1678344 -0.0000000), wk = 0.0037594 k( 27) = ( 0.3023256 0.1745478 -0.0000000), wk = 0.0037594 k( 28) = ( 0.3139535 0.1812611 -0.0000000), wk = 0.0037594 k( 29) = ( 0.3255814 0.1879745 -0.0000000), wk = 0.0037594 k( 30) = ( 0.3372093 0.1946879 -0.0000000), wk = 0.0037594 k( 31) = ( 0.3488372 0.2014013 -0.0000000), wk = 0.0037594 k( 32) = ( 0.3604651 0.2081146 -0.0000000), wk = 0.0037594 k( 33) = ( 0.3720930 0.2148280 -0.0000000), wk = 0.0037594 k( 34) = ( 0.3837209 0.2215414 -0.0000000), wk = 0.0037594 k( 35) = ( 0.3953488 0.2282548 -0.0000000), wk = 0.0037594 k( 36) = ( 0.4069767 0.2349681 -0.0000000), wk = 0.0037594 k( 37) = ( 0.4186047 0.2416815 -0.0000000), wk = 0.0037594 k( 38) = ( 0.4302326 0.2483949 -0.0000000), wk = 0.0037594 k( 39) = ( 0.4418605 0.2551083 -0.0000000), wk = 0.0037594 k( 40) = ( 0.4534884 0.2618216 -0.0000000), wk = 0.0037594 k( 41) = ( 0.4651163 0.2685350 -0.0000000), wk = 0.0037594 k( 42) = ( 0.4767442 0.2752484 -0.0000000), wk = 0.0037594 k( 43) = ( 0.4883721 0.2819618 -0.0000000), wk = 0.0037594 k( 44) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037594 k( 45) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037594 k( 46) = ( 0.4933333 0.3002221 -0.0000000), wk = 0.0037594 k( 47) = ( 0.4866667 0.3117692 -0.0000000), wk = 0.0037594 k( 48) = ( 0.4800000 0.3233162 -0.0000000), wk = 0.0037594 k( 49) = ( 0.4733333 0.3348632 -0.0000000), wk = 0.0037594 k( 50) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0037594 k( 51) = ( 0.4600000 0.3579572 -0.0000000), wk = 0.0037594 k( 52) = ( 0.4533333 0.3695042 -0.0000000), wk = 0.0037594 k( 53) = ( 0.4466667 0.3810512 -0.0000000), wk = 0.0037594 k( 54) = ( 0.4400000 0.3925982 -0.0000000), wk = 0.0037594 k( 55) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0037594 k( 56) = ( 0.4266667 0.4156922 -0.0000000), wk = 0.0037594 k( 57) = ( 0.4200000 0.4272392 -0.0000000), wk = 0.0037594 k( 58) = ( 0.4133333 0.4387862 -0.0000000), wk = 0.0037594 k( 59) = ( 0.4066667 0.4503332 -0.0000000), wk = 0.0037594 k( 60) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0037594 k( 61) = ( 0.3933333 0.4734272 -0.0000000), wk = 0.0037594 k( 62) = ( 0.3866667 0.4849742 -0.0000000), wk = 0.0037594 k( 63) = ( 0.3800000 0.4965212 -0.0000000), wk = 0.0037594 k( 64) = ( 0.3733333 0.5080682 -0.0000000), wk = 0.0037594 k( 65) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0037594 k( 66) = ( 0.3600000 0.5311622 -0.0000000), wk = 0.0037594 k( 67) = ( 0.3533333 0.5427092 -0.0000000), wk = 0.0037594 k( 68) = ( 0.3466667 0.5542563 -0.0000000), wk = 0.0037594 k( 69) = ( 0.3400000 0.5658033 -0.0000000), wk = 0.0037594 k( 70) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037594 k( 71) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037594 k( 72) = ( 0.3266667 0.5658033 -0.0000000), wk = 0.0037594 k( 73) = ( 0.3200000 0.5542563 -0.0000000), wk = 0.0037594 k( 74) = ( 0.3133333 0.5427092 -0.0000000), wk = 0.0037594 k( 75) = ( 0.3066667 0.5311623 -0.0000000), wk = 0.0037594 k( 76) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0037594 k( 77) = ( 0.2933333 0.5080682 -0.0000000), wk = 0.0037594 k( 78) = ( 0.2866667 0.4965212 -0.0000000), wk = 0.0037594 k( 79) = ( 0.2800000 0.4849742 -0.0000000), wk = 0.0037594 k( 80) = ( 0.2733333 0.4734272 -0.0000000), wk = 0.0037594 k( 81) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0037594 k( 82) = ( 0.2600000 0.4503332 -0.0000000), wk = 0.0037594 k( 83) = ( 0.2533333 0.4387862 -0.0000000), wk = 0.0037594 k( 84) = ( 0.2466667 0.4272392 -0.0000000), wk = 0.0037594 k( 85) = ( 0.2400000 0.4156922 -0.0000000), wk = 0.0037594 k( 86) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0037594 k( 87) = ( 0.2266667 0.3925982 -0.0000000), wk = 0.0037594 k( 88) = ( 0.2200000 0.3810512 -0.0000000), wk = 0.0037594 k( 89) = ( 0.2133333 0.3695042 -0.0000000), wk = 0.0037594 k( 90) = ( 0.2066667 0.3579572 -0.0000000), wk = 0.0037594 k( 91) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0037594 k( 92) = ( 0.1933333 0.3348632 -0.0000000), wk = 0.0037594 k( 93) = ( 0.1866667 0.3233162 -0.0000000), wk = 0.0037594 k( 94) = ( 0.1800000 0.3117691 -0.0000000), wk = 0.0037594 k( 95) = ( 0.1733333 0.3002221 -0.0000000), wk = 0.0037594 k( 96) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0037594 k( 97) = ( 0.1600000 0.2771281 -0.0000000), wk = 0.0037594 k( 98) = ( 0.1533333 0.2655811 -0.0000000), wk = 0.0037594 k( 99) = ( 0.1466667 0.2540341 -0.0000000), wk = 0.0037594 k( 100) = ( 0.1400000 0.2424871 -0.0000000), wk = 0.0037594 k( 101) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0037594 k( 102) = ( 0.1266667 0.2193931 -0.0000000), wk = 0.0037594 k( 103) = ( 0.1200000 0.2078461 -0.0000000), wk = 0.0037594 k( 104) = ( 0.1133333 0.1962991 -0.0000000), wk = 0.0037594 k( 105) = ( 0.1066667 0.1847521 -0.0000000), wk = 0.0037594 k( 106) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0037594 k( 107) = ( 0.0933333 0.1616581 -0.0000000), wk = 0.0037594 k( 108) = ( 0.0866667 0.1501111 -0.0000000), wk = 0.0037594 k( 109) = ( 0.0800000 0.1385641 -0.0000000), wk = 0.0037594 k( 110) = ( 0.0733333 0.1270171 -0.0000000), wk = 0.0037594 k( 111) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0037594 k( 112) = ( 0.0600000 0.1039230 -0.0000000), wk = 0.0037594 k( 113) = ( 0.0533333 0.0923760 -0.0000000), wk = 0.0037594 k( 114) = ( 0.0466667 0.0808290 -0.0000000), wk = 0.0037594 k( 115) = ( 0.0400000 0.0692820 -0.0000000), wk = 0.0037594 k( 116) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0037594 k( 117) = ( 0.0266667 0.0461880 -0.0000000), wk = 0.0037594 k( 118) = ( 0.0200000 0.0346410 -0.0000000), wk = 0.0037594 k( 119) = ( 0.0133333 0.0230940 -0.0000000), wk = 0.0037594 k( 120) = ( 0.0066667 0.0115470 -0.0000000), wk = 0.0037594 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037594 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037594 k( 123) = ( 0.0000000 0.0000000 0.0127316), wk = 0.0037594 k( 124) = ( 0.0000000 0.0000000 0.0254632), wk = 0.0037594 k( 125) = ( 0.0000000 0.0000000 0.0381949), wk = 0.0037594 k( 126) = ( 0.0000000 0.0000000 0.0509265), wk = 0.0037594 k( 127) = ( 0.0000000 0.0000000 0.0636581), wk = 0.0037594 k( 128) = ( 0.0000000 0.0000000 0.0763897), wk = 0.0037594 k( 129) = ( 0.0000000 0.0000000 0.0891213), wk = 0.0037594 k( 130) = ( 0.0000000 0.0000000 0.0891213), wk = 0.0037594 k( 131) = ( 0.0116279 0.0067134 0.0891213), wk = 0.0037594 k( 132) = ( 0.0232558 0.0134267 0.0891213), wk = 0.0037594 k( 133) = ( 0.0348837 0.0201401 0.0891213), wk = 0.0037594 k( 134) = ( 0.0465116 0.0268535 0.0891213), wk = 0.0037594 k( 135) = ( 0.0581395 0.0335669 0.0891213), wk = 0.0037594 k( 136) = ( 0.0697674 0.0402803 0.0891213), wk = 0.0037594 k( 137) = ( 0.0813954 0.0469936 0.0891213), wk = 0.0037594 k( 138) = ( 0.0930233 0.0537070 0.0891213), wk = 0.0037594 k( 139) = ( 0.1046512 0.0604204 0.0891213), wk = 0.0037594 k( 140) = ( 0.1162791 0.0671338 0.0891213), wk = 0.0037594 k( 141) = ( 0.1279070 0.0738471 0.0891213), wk = 0.0037594 k( 142) = ( 0.1395349 0.0805605 0.0891213), wk = 0.0037594 k( 143) = ( 0.1511628 0.0872739 0.0891213), wk = 0.0037594 k( 144) = ( 0.1627907 0.0939873 0.0891213), wk = 0.0037594 k( 145) = ( 0.1744186 0.1007006 0.0891213), wk = 0.0037594 k( 146) = ( 0.1860465 0.1074140 0.0891213), wk = 0.0037594 k( 147) = ( 0.1976744 0.1141274 0.0891213), wk = 0.0037594 k( 148) = ( 0.2093023 0.1208408 0.0891213), wk = 0.0037594 k( 149) = ( 0.2209302 0.1275541 0.0891213), wk = 0.0037594 k( 150) = ( 0.2325581 0.1342675 0.0891213), wk = 0.0037594 k( 151) = ( 0.2441860 0.1409809 0.0891213), wk = 0.0037594 k( 152) = ( 0.2558140 0.1476943 0.0891213), wk = 0.0037594 k( 153) = ( 0.2674419 0.1544076 0.0891213), wk = 0.0037594 k( 154) = ( 0.2790698 0.1611210 0.0891213), wk = 0.0037594 k( 155) = ( 0.2906977 0.1678344 0.0891213), wk = 0.0037594 k( 156) = ( 0.3023256 0.1745478 0.0891213), wk = 0.0037594 k( 157) = ( 0.3139535 0.1812611 0.0891213), wk = 0.0037594 k( 158) = ( 0.3255814 0.1879745 0.0891213), wk = 0.0037594 k( 159) = ( 0.3372093 0.1946879 0.0891213), wk = 0.0037594 k( 160) = ( 0.3488372 0.2014013 0.0891213), wk = 0.0037594 k( 161) = ( 0.3604651 0.2081146 0.0891213), wk = 0.0037594 k( 162) = ( 0.3720930 0.2148280 0.0891213), wk = 0.0037594 k( 163) = ( 0.3837209 0.2215414 0.0891213), wk = 0.0037594 k( 164) = ( 0.3953488 0.2282548 0.0891213), wk = 0.0037594 k( 165) = ( 0.4069767 0.2349681 0.0891213), wk = 0.0037594 k( 166) = ( 0.4186047 0.2416815 0.0891213), wk = 0.0037594 k( 167) = ( 0.4302326 0.2483949 0.0891213), wk = 0.0037594 k( 168) = ( 0.4418605 0.2551083 0.0891213), wk = 0.0037594 k( 169) = ( 0.4534884 0.2618216 0.0891213), wk = 0.0037594 k( 170) = ( 0.4651163 0.2685350 0.0891213), wk = 0.0037594 k( 171) = ( 0.4767442 0.2752484 0.0891213), wk = 0.0037594 k( 172) = ( 0.4883721 0.2819618 0.0891213), wk = 0.0037594 k( 173) = ( 0.5000000 0.2886751 0.0891213), wk = 0.0037594 k( 174) = ( 0.5000000 0.2886751 0.0891213), wk = 0.0037594 k( 175) = ( 0.4933333 0.3002221 0.0891213), wk = 0.0037594 k( 176) = ( 0.4866667 0.3117692 0.0891213), wk = 0.0037594 k( 177) = ( 0.4800000 0.3233162 0.0891213), wk = 0.0037594 k( 178) = ( 0.4733333 0.3348632 0.0891213), wk = 0.0037594 k( 179) = ( 0.4666667 0.3464102 0.0891213), wk = 0.0037594 k( 180) = ( 0.4600000 0.3579572 0.0891213), wk = 0.0037594 k( 181) = ( 0.4533333 0.3695042 0.0891213), wk = 0.0037594 k( 182) = ( 0.4466667 0.3810512 0.0891213), wk = 0.0037594 k( 183) = ( 0.4400000 0.3925982 0.0891213), wk = 0.0037594 k( 184) = ( 0.4333333 0.4041452 0.0891213), wk = 0.0037594 k( 185) = ( 0.4266667 0.4156922 0.0891213), wk = 0.0037594 k( 186) = ( 0.4200000 0.4272392 0.0891213), wk = 0.0037594 k( 187) = ( 0.4133333 0.4387862 0.0891213), wk = 0.0037594 k( 188) = ( 0.4066667 0.4503332 0.0891213), wk = 0.0037594 k( 189) = ( 0.4000000 0.4618802 0.0891213), wk = 0.0037594 k( 190) = ( 0.3933333 0.4734272 0.0891213), wk = 0.0037594 k( 191) = ( 0.3866667 0.4849742 0.0891213), wk = 0.0037594 k( 192) = ( 0.3800000 0.4965212 0.0891213), wk = 0.0037594 k( 193) = ( 0.3733333 0.5080682 0.0891213), wk = 0.0037594 k( 194) = ( 0.3666667 0.5196152 0.0891213), wk = 0.0037594 k( 195) = ( 0.3600000 0.5311622 0.0891213), wk = 0.0037594 k( 196) = ( 0.3533333 0.5427092 0.0891213), wk = 0.0037594 k( 197) = ( 0.3466667 0.5542563 0.0891213), wk = 0.0037594 k( 198) = ( 0.3400000 0.5658033 0.0891213), wk = 0.0037594 k( 199) = ( 0.3333333 0.5773503 0.0891213), wk = 0.0037594 k( 200) = ( 0.3333333 0.5773503 0.0891213), wk = 0.0037594 k( 201) = ( 0.3266667 0.5658033 0.0891213), wk = 0.0037594 k( 202) = ( 0.3200000 0.5542563 0.0891213), wk = 0.0037594 k( 203) = ( 0.3133333 0.5427092 0.0891213), wk = 0.0037594 k( 204) = ( 0.3066667 0.5311623 0.0891213), wk = 0.0037594 k( 205) = ( 0.3000000 0.5196152 0.0891213), wk = 0.0037594 k( 206) = ( 0.2933333 0.5080682 0.0891213), wk = 0.0037594 k( 207) = ( 0.2866667 0.4965212 0.0891213), wk = 0.0037594 k( 208) = ( 0.2800000 0.4849742 0.0891213), wk = 0.0037594 k( 209) = ( 0.2733333 0.4734272 0.0891213), wk = 0.0037594 k( 210) = ( 0.2666667 0.4618802 0.0891213), wk = 0.0037594 k( 211) = ( 0.2600000 0.4503332 0.0891213), wk = 0.0037594 k( 212) = ( 0.2533333 0.4387862 0.0891213), wk = 0.0037594 k( 213) = ( 0.2466667 0.4272392 0.0891213), wk = 0.0037594 k( 214) = ( 0.2400000 0.4156922 0.0891213), wk = 0.0037594 k( 215) = ( 0.2333333 0.4041452 0.0891213), wk = 0.0037594 k( 216) = ( 0.2266667 0.3925982 0.0891213), wk = 0.0037594 k( 217) = ( 0.2200000 0.3810512 0.0891213), wk = 0.0037594 k( 218) = ( 0.2133333 0.3695042 0.0891213), wk = 0.0037594 k( 219) = ( 0.2066667 0.3579572 0.0891213), wk = 0.0037594 k( 220) = ( 0.2000000 0.3464102 0.0891213), wk = 0.0037594 k( 221) = ( 0.1933333 0.3348632 0.0891213), wk = 0.0037594 k( 222) = ( 0.1866667 0.3233162 0.0891213), wk = 0.0037594 k( 223) = ( 0.1800000 0.3117691 0.0891213), wk = 0.0037594 k( 224) = ( 0.1733333 0.3002221 0.0891213), wk = 0.0037594 k( 225) = ( 0.1666667 0.2886751 0.0891213), wk = 0.0037594 k( 226) = ( 0.1600000 0.2771281 0.0891213), wk = 0.0037594 k( 227) = ( 0.1533333 0.2655811 0.0891213), wk = 0.0037594 k( 228) = ( 0.1466667 0.2540341 0.0891213), wk = 0.0037594 k( 229) = ( 0.1400000 0.2424871 0.0891213), wk = 0.0037594 k( 230) = ( 0.1333333 0.2309401 0.0891213), wk = 0.0037594 k( 231) = ( 0.1266667 0.2193931 0.0891213), wk = 0.0037594 k( 232) = ( 0.1200000 0.2078461 0.0891213), wk = 0.0037594 k( 233) = ( 0.1133333 0.1962991 0.0891213), wk = 0.0037594 k( 234) = ( 0.1066667 0.1847521 0.0891213), wk = 0.0037594 k( 235) = ( 0.1000000 0.1732051 0.0891213), wk = 0.0037594 k( 236) = ( 0.0933333 0.1616581 0.0891213), wk = 0.0037594 k( 237) = ( 0.0866667 0.1501111 0.0891213), wk = 0.0037594 k( 238) = ( 0.0800000 0.1385641 0.0891213), wk = 0.0037594 k( 239) = ( 0.0733333 0.1270171 0.0891213), wk = 0.0037594 k( 240) = ( 0.0666667 0.1154701 0.0891213), wk = 0.0037594 k( 241) = ( 0.0600000 0.1039230 0.0891213), wk = 0.0037594 k( 242) = ( 0.0533333 0.0923760 0.0891213), wk = 0.0037594 k( 243) = ( 0.0466667 0.0808290 0.0891213), wk = 0.0037594 k( 244) = ( 0.0400000 0.0692820 0.0891213), wk = 0.0037594 k( 245) = ( 0.0333333 0.0577350 0.0891213), wk = 0.0037594 k( 246) = ( 0.0266667 0.0461880 0.0891213), wk = 0.0037594 k( 247) = ( 0.0200000 0.0346410 0.0891213), wk = 0.0037594 k( 248) = ( 0.0133333 0.0230940 0.0891213), wk = 0.0037594 k( 249) = ( 0.0066667 0.0115470 0.0891213), wk = 0.0037594 k( 250) = ( 0.0000000 0.0000000 0.0891213), wk = 0.0037594 k( 251) = ( 0.5000000 0.2886751 0.0891213), wk = 0.0037594 k( 252) = ( 0.5000000 0.2886751 0.0763897), wk = 0.0037594 k( 253) = ( 0.5000000 0.2886751 0.0636581), wk = 0.0037594 k( 254) = ( 0.5000000 0.2886751 0.0509265), wk = 0.0037594 k( 255) = ( 0.5000000 0.2886751 0.0381949), wk = 0.0037594 k( 256) = ( 0.5000000 0.2886751 0.0254632), wk = 0.0037594 k( 257) = ( 0.5000000 0.2886751 0.0127316), wk = 0.0037594 k( 258) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0037594 k( 259) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0037594 k( 260) = ( 0.3333333 0.5773503 0.0127316), wk = 0.0037594 k( 261) = ( 0.3333333 0.5773503 0.0254632), wk = 0.0037594 k( 262) = ( 0.3333333 0.5773503 0.0381949), wk = 0.0037594 k( 263) = ( 0.3333333 0.5773503 0.0509265), wk = 0.0037594 k( 264) = ( 0.3333333 0.5773503 0.0636581), wk = 0.0037594 k( 265) = ( 0.3333333 0.5773503 0.0763897), wk = 0.0037594 k( 266) = ( 0.3333333 0.5773503 0.0891213), wk = 0.0037594 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037594 k( 2) = ( 0.0116279 -0.0000000 0.0000000), wk = 0.0037594 k( 3) = ( 0.0232558 -0.0000000 0.0000000), wk = 0.0037594 k( 4) = ( 0.0348837 0.0000000 0.0000000), wk = 0.0037594 k( 5) = ( 0.0465116 -0.0000000 0.0000000), wk = 0.0037594 k( 6) = ( 0.0581395 -0.0000000 -0.0000000), wk = 0.0037594 k( 7) = ( 0.0697674 0.0000000 0.0000000), wk = 0.0037594 k( 8) = ( 0.0813954 -0.0000000 0.0000000), wk = 0.0037594 k( 9) = ( 0.0930233 -0.0000000 0.0000000), wk = 0.0037594 k( 10) = ( 0.1046512 -0.0000000 0.0000000), wk = 0.0037594 k( 11) = ( 0.1162791 -0.0000000 0.0000000), wk = 0.0037594 k( 12) = ( 0.1279070 -0.0000000 0.0000000), wk = 0.0037594 k( 13) = ( 0.1395349 0.0000000 0.0000000), wk = 0.0037594 k( 14) = ( 0.1511628 -0.0000000 0.0000000), wk = 0.0037594 k( 15) = ( 0.1627907 -0.0000000 0.0000000), wk = 0.0037594 k( 16) = ( 0.1744186 -0.0000000 0.0000000), wk = 0.0037594 k( 17) = ( 0.1860465 -0.0000000 0.0000000), wk = 0.0037594 k( 18) = ( 0.1976744 -0.0000000 0.0000000), wk = 0.0037594 k( 19) = ( 0.2093023 -0.0000000 0.0000000), wk = 0.0037594 k( 20) = ( 0.2209302 0.0000000 0.0000000), wk = 0.0037594 k( 21) = ( 0.2325581 -0.0000000 0.0000000), wk = 0.0037594 k( 22) = ( 0.2441860 -0.0000000 0.0000000), wk = 0.0037594 k( 23) = ( 0.2558140 0.0000000 0.0000000), wk = 0.0037594 k( 24) = ( 0.2674419 0.0000000 0.0000000), wk = 0.0037594 k( 25) = ( 0.2790698 -0.0000000 0.0000000), wk = 0.0037594 k( 26) = ( 0.2906977 -0.0000000 0.0000000), wk = 0.0037594 k( 27) = ( 0.3023256 -0.0000000 0.0000000), wk = 0.0037594 k( 28) = ( 0.3139535 0.0000000 0.0000000), wk = 0.0037594 k( 29) = ( 0.3255814 -0.0000000 0.0000000), wk = 0.0037594 k( 30) = ( 0.3372093 -0.0000000 0.0000000), wk = 0.0037594 k( 31) = ( 0.3488372 -0.0000000 0.0000000), wk = 0.0037594 k( 32) = ( 0.3604651 -0.0000000 0.0000000), wk = 0.0037594 k( 33) = ( 0.3720930 -0.0000000 0.0000000), wk = 0.0037594 k( 34) = ( 0.3837209 -0.0000000 0.0000000), wk = 0.0037594 k( 35) = ( 0.3953488 -0.0000000 0.0000000), wk = 0.0037594 k( 36) = ( 0.4069767 -0.0000000 0.0000000), wk = 0.0037594 k( 37) = ( 0.4186047 -0.0000000 0.0000000), wk = 0.0037594 k( 38) = ( 0.4302326 -0.0000000 0.0000000), wk = 0.0037594 k( 39) = ( 0.4418605 -0.0000000 0.0000000), wk = 0.0037594 k( 40) = ( 0.4534884 -0.0000000 0.0000000), wk = 0.0037594 k( 41) = ( 0.4651163 -0.0000000 0.0000000), wk = 0.0037594 k( 42) = ( 0.4767442 0.0000000 0.0000000), wk = 0.0037594 k( 43) = ( 0.4883721 -0.0000000 0.0000000), wk = 0.0037594 k( 44) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0037594 k( 45) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0037594 k( 46) = ( 0.4933333 0.0133333 0.0000000), wk = 0.0037594 k( 47) = ( 0.4866667 0.0266667 0.0000000), wk = 0.0037594 k( 48) = ( 0.4800000 0.0400000 0.0000000), wk = 0.0037594 k( 49) = ( 0.4733333 0.0533333 0.0000000), wk = 0.0037594 k( 50) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0037594 k( 51) = ( 0.4600000 0.0800000 0.0000000), wk = 0.0037594 k( 52) = ( 0.4533333 0.0933333 0.0000000), wk = 0.0037594 k( 53) = ( 0.4466667 0.1066667 0.0000000), wk = 0.0037594 k( 54) = ( 0.4400000 0.1200000 0.0000000), wk = 0.0037594 k( 55) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0037594 k( 56) = ( 0.4266667 0.1466667 0.0000000), wk = 0.0037594 k( 57) = ( 0.4200000 0.1600000 0.0000000), wk = 0.0037594 k( 58) = ( 0.4133333 0.1733333 0.0000000), wk = 0.0037594 k( 59) = ( 0.4066667 0.1866667 -0.0000000), wk = 0.0037594 k( 60) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0037594 k( 61) = ( 0.3933333 0.2133333 0.0000000), wk = 0.0037594 k( 62) = ( 0.3866667 0.2266667 0.0000000), wk = 0.0037594 k( 63) = ( 0.3800000 0.2400000 0.0000000), wk = 0.0037594 k( 64) = ( 0.3733333 0.2533333 0.0000000), wk = 0.0037594 k( 65) = ( 0.3666667 0.2666667 -0.0000000), wk = 0.0037594 k( 66) = ( 0.3600000 0.2800000 0.0000000), wk = 0.0037594 k( 67) = ( 0.3533333 0.2933333 0.0000000), wk = 0.0037594 k( 68) = ( 0.3466667 0.3066667 0.0000000), wk = 0.0037594 k( 69) = ( 0.3400000 0.3200000 0.0000000), wk = 0.0037594 k( 70) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0037594 k( 71) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0037594 k( 72) = ( 0.3266667 0.3266667 0.0000000), wk = 0.0037594 k( 73) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0037594 k( 74) = ( 0.3133333 0.3133333 0.0000000), wk = 0.0037594 k( 75) = ( 0.3066667 0.3066667 0.0000000), wk = 0.0037594 k( 76) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0037594 k( 77) = ( 0.2933333 0.2933333 -0.0000000), wk = 0.0037594 k( 78) = ( 0.2866667 0.2866667 0.0000000), wk = 0.0037594 k( 79) = ( 0.2800000 0.2800000 -0.0000000), wk = 0.0037594 k( 80) = ( 0.2733333 0.2733333 -0.0000000), wk = 0.0037594 k( 81) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0037594 k( 82) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0037594 k( 83) = ( 0.2533333 0.2533333 0.0000000), wk = 0.0037594 k( 84) = ( 0.2466667 0.2466667 0.0000000), wk = 0.0037594 k( 85) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0037594 k( 86) = ( 0.2333333 0.2333333 0.0000000), wk = 0.0037594 k( 87) = ( 0.2266667 0.2266667 0.0000000), wk = 0.0037594 k( 88) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0037594 k( 89) = ( 0.2133333 0.2133333 0.0000000), wk = 0.0037594 k( 90) = ( 0.2066667 0.2066667 0.0000000), wk = 0.0037594 k( 91) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0037594 k( 92) = ( 0.1933333 0.1933333 0.0000000), wk = 0.0037594 k( 93) = ( 0.1866667 0.1866667 0.0000000), wk = 0.0037594 k( 94) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0037594 k( 95) = ( 0.1733333 0.1733333 0.0000000), wk = 0.0037594 k( 96) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0037594 k( 97) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0037594 k( 98) = ( 0.1533333 0.1533333 0.0000000), wk = 0.0037594 k( 99) = ( 0.1466667 0.1466667 0.0000000), wk = 0.0037594 k( 100) = ( 0.1400000 0.1400000 -0.0000000), wk = 0.0037594 k( 101) = ( 0.1333333 0.1333333 0.0000000), wk = 0.0037594 k( 102) = ( 0.1266667 0.1266667 0.0000000), wk = 0.0037594 k( 103) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0037594 k( 104) = ( 0.1133333 0.1133333 0.0000000), wk = 0.0037594 k( 105) = ( 0.1066667 0.1066667 0.0000000), wk = 0.0037594 k( 106) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0037594 k( 107) = ( 0.0933333 0.0933333 0.0000000), wk = 0.0037594 k( 108) = ( 0.0866667 0.0866667 0.0000000), wk = 0.0037594 k( 109) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0037594 k( 110) = ( 0.0733333 0.0733333 0.0000000), wk = 0.0037594 k( 111) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0037594 k( 112) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0037594 k( 113) = ( 0.0533333 0.0533333 0.0000000), wk = 0.0037594 k( 114) = ( 0.0466667 0.0466667 0.0000000), wk = 0.0037594 k( 115) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0037594 k( 116) = ( 0.0333333 0.0333333 0.0000000), wk = 0.0037594 k( 117) = ( 0.0266667 0.0266667 0.0000000), wk = 0.0037594 k( 118) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0037594 k( 119) = ( 0.0133333 0.0133333 0.0000000), wk = 0.0037594 k( 120) = ( 0.0066667 0.0066667 0.0000000), wk = 0.0037594 k( 121) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037594 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0037594 k( 123) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0037594 k( 124) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0037594 k( 125) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0037594 k( 126) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0037594 k( 127) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0037594 k( 128) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0037594 k( 129) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037594 k( 130) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037594 k( 131) = ( 0.0116279 -0.0000000 0.5000000), wk = 0.0037594 k( 132) = ( 0.0232558 -0.0000000 0.5000000), wk = 0.0037594 k( 133) = ( 0.0348837 0.0000000 0.5000000), wk = 0.0037594 k( 134) = ( 0.0465116 -0.0000000 0.5000000), wk = 0.0037594 k( 135) = ( 0.0581395 -0.0000000 0.5000000), wk = 0.0037594 k( 136) = ( 0.0697674 0.0000000 0.5000000), wk = 0.0037594 k( 137) = ( 0.0813954 -0.0000000 0.5000000), wk = 0.0037594 k( 138) = ( 0.0930233 -0.0000000 0.5000000), wk = 0.0037594 k( 139) = ( 0.1046512 -0.0000000 0.5000000), wk = 0.0037594 k( 140) = ( 0.1162791 -0.0000000 0.5000000), wk = 0.0037594 k( 141) = ( 0.1279070 -0.0000000 0.5000000), wk = 0.0037594 k( 142) = ( 0.1395349 0.0000000 0.5000000), wk = 0.0037594 k( 143) = ( 0.1511628 -0.0000000 0.5000000), wk = 0.0037594 k( 144) = ( 0.1627907 -0.0000000 0.5000000), wk = 0.0037594 k( 145) = ( 0.1744186 -0.0000000 0.5000000), wk = 0.0037594 k( 146) = ( 0.1860465 -0.0000000 0.5000000), wk = 0.0037594 k( 147) = ( 0.1976744 -0.0000000 0.5000000), wk = 0.0037594 k( 148) = ( 0.2093023 -0.0000000 0.5000000), wk = 0.0037594 k( 149) = ( 0.2209302 0.0000000 0.5000000), wk = 0.0037594 k( 150) = ( 0.2325581 -0.0000000 0.5000000), wk = 0.0037594 k( 151) = ( 0.2441860 -0.0000000 0.5000000), wk = 0.0037594 k( 152) = ( 0.2558140 0.0000000 0.5000000), wk = 0.0037594 k( 153) = ( 0.2674419 0.0000000 0.5000000), wk = 0.0037594 k( 154) = ( 0.2790698 -0.0000000 0.5000000), wk = 0.0037594 k( 155) = ( 0.2906977 -0.0000000 0.5000000), wk = 0.0037594 k( 156) = ( 0.3023256 -0.0000000 0.5000000), wk = 0.0037594 k( 157) = ( 0.3139535 0.0000000 0.5000000), wk = 0.0037594 k( 158) = ( 0.3255814 -0.0000000 0.5000000), wk = 0.0037594 k( 159) = ( 0.3372093 -0.0000000 0.5000000), wk = 0.0037594 k( 160) = ( 0.3488372 -0.0000000 0.5000000), wk = 0.0037594 k( 161) = ( 0.3604651 -0.0000000 0.5000000), wk = 0.0037594 k( 162) = ( 0.3720930 -0.0000000 0.5000000), wk = 0.0037594 k( 163) = ( 0.3837209 -0.0000000 0.5000000), wk = 0.0037594 k( 164) = ( 0.3953488 -0.0000000 0.5000000), wk = 0.0037594 k( 165) = ( 0.4069767 -0.0000000 0.5000000), wk = 0.0037594 k( 166) = ( 0.4186047 -0.0000000 0.5000000), wk = 0.0037594 k( 167) = ( 0.4302326 -0.0000000 0.5000000), wk = 0.0037594 k( 168) = ( 0.4418605 -0.0000000 0.5000000), wk = 0.0037594 k( 169) = ( 0.4534884 -0.0000000 0.5000000), wk = 0.0037594 k( 170) = ( 0.4651163 -0.0000000 0.5000000), wk = 0.0037594 k( 171) = ( 0.4767442 0.0000000 0.5000000), wk = 0.0037594 k( 172) = ( 0.4883721 -0.0000000 0.5000000), wk = 0.0037594 k( 173) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0037594 k( 174) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0037594 k( 175) = ( 0.4933333 0.0133333 0.5000000), wk = 0.0037594 k( 176) = ( 0.4866667 0.0266667 0.5000000), wk = 0.0037594 k( 177) = ( 0.4800000 0.0400000 0.5000000), wk = 0.0037594 k( 178) = ( 0.4733333 0.0533333 0.5000000), wk = 0.0037594 k( 179) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0037594 k( 180) = ( 0.4600000 0.0800000 0.5000000), wk = 0.0037594 k( 181) = ( 0.4533333 0.0933333 0.5000000), wk = 0.0037594 k( 182) = ( 0.4466667 0.1066667 0.5000000), wk = 0.0037594 k( 183) = ( 0.4400000 0.1200000 0.5000000), wk = 0.0037594 k( 184) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0037594 k( 185) = ( 0.4266667 0.1466667 0.5000000), wk = 0.0037594 k( 186) = ( 0.4200000 0.1600000 0.5000000), wk = 0.0037594 k( 187) = ( 0.4133333 0.1733333 0.5000000), wk = 0.0037594 k( 188) = ( 0.4066667 0.1866667 0.5000000), wk = 0.0037594 k( 189) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0037594 k( 190) = ( 0.3933333 0.2133333 0.5000000), wk = 0.0037594 k( 191) = ( 0.3866667 0.2266667 0.5000000), wk = 0.0037594 k( 192) = ( 0.3800000 0.2400000 0.5000000), wk = 0.0037594 k( 193) = ( 0.3733333 0.2533333 0.5000000), wk = 0.0037594 k( 194) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0037594 k( 195) = ( 0.3600000 0.2800000 0.5000000), wk = 0.0037594 k( 196) = ( 0.3533333 0.2933333 0.5000000), wk = 0.0037594 k( 197) = ( 0.3466667 0.3066667 0.5000000), wk = 0.0037594 k( 198) = ( 0.3400000 0.3200000 0.5000000), wk = 0.0037594 k( 199) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037594 k( 200) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037594 k( 201) = ( 0.3266667 0.3266667 0.5000000), wk = 0.0037594 k( 202) = ( 0.3200000 0.3200000 0.5000000), wk = 0.0037594 k( 203) = ( 0.3133333 0.3133333 0.5000000), wk = 0.0037594 k( 204) = ( 0.3066667 0.3066667 0.5000000), wk = 0.0037594 k( 205) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0037594 k( 206) = ( 0.2933333 0.2933333 0.5000000), wk = 0.0037594 k( 207) = ( 0.2866667 0.2866667 0.5000000), wk = 0.0037594 k( 208) = ( 0.2800000 0.2800000 0.5000000), wk = 0.0037594 k( 209) = ( 0.2733333 0.2733333 0.5000000), wk = 0.0037594 k( 210) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0037594 k( 211) = ( 0.2600000 0.2600000 0.5000000), wk = 0.0037594 k( 212) = ( 0.2533333 0.2533333 0.5000000), wk = 0.0037594 k( 213) = ( 0.2466667 0.2466667 0.5000000), wk = 0.0037594 k( 214) = ( 0.2400000 0.2400000 0.5000000), wk = 0.0037594 k( 215) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0037594 k( 216) = ( 0.2266667 0.2266667 0.5000000), wk = 0.0037594 k( 217) = ( 0.2200000 0.2200000 0.5000000), wk = 0.0037594 k( 218) = ( 0.2133333 0.2133333 0.5000000), wk = 0.0037594 k( 219) = ( 0.2066667 0.2066667 0.5000000), wk = 0.0037594 k( 220) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0037594 k( 221) = ( 0.1933333 0.1933333 0.5000000), wk = 0.0037594 k( 222) = ( 0.1866667 0.1866667 0.5000000), wk = 0.0037594 k( 223) = ( 0.1800000 0.1800000 0.5000000), wk = 0.0037594 k( 224) = ( 0.1733333 0.1733333 0.5000000), wk = 0.0037594 k( 225) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0037594 k( 226) = ( 0.1600000 0.1600000 0.5000000), wk = 0.0037594 k( 227) = ( 0.1533333 0.1533333 0.5000000), wk = 0.0037594 k( 228) = ( 0.1466667 0.1466667 0.5000000), wk = 0.0037594 k( 229) = ( 0.1400000 0.1400000 0.5000000), wk = 0.0037594 k( 230) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0037594 k( 231) = ( 0.1266667 0.1266667 0.5000000), wk = 0.0037594 k( 232) = ( 0.1200000 0.1200000 0.5000000), wk = 0.0037594 k( 233) = ( 0.1133333 0.1133333 0.5000000), wk = 0.0037594 k( 234) = ( 0.1066667 0.1066667 0.5000000), wk = 0.0037594 k( 235) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0037594 k( 236) = ( 0.0933333 0.0933333 0.5000000), wk = 0.0037594 k( 237) = ( 0.0866667 0.0866667 0.5000000), wk = 0.0037594 k( 238) = ( 0.0800000 0.0800000 0.5000000), wk = 0.0037594 k( 239) = ( 0.0733333 0.0733333 0.5000000), wk = 0.0037594 k( 240) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0037594 k( 241) = ( 0.0600000 0.0600000 0.5000000), wk = 0.0037594 k( 242) = ( 0.0533333 0.0533333 0.5000000), wk = 0.0037594 k( 243) = ( 0.0466667 0.0466667 0.5000000), wk = 0.0037594 k( 244) = ( 0.0400000 0.0400000 0.5000000), wk = 0.0037594 k( 245) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0037594 k( 246) = ( 0.0266667 0.0266667 0.5000000), wk = 0.0037594 k( 247) = ( 0.0200000 0.0200000 0.5000000), wk = 0.0037594 k( 248) = ( 0.0133333 0.0133333 0.5000000), wk = 0.0037594 k( 249) = ( 0.0066667 0.0066667 0.5000000), wk = 0.0037594 k( 250) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0037594 k( 251) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0037594 k( 252) = ( 0.5000000 -0.0000000 0.4285714), wk = 0.0037594 k( 253) = ( 0.5000000 -0.0000000 0.3571429), wk = 0.0037594 k( 254) = ( 0.5000000 -0.0000000 0.2857143), wk = 0.0037594 k( 255) = ( 0.5000000 -0.0000000 0.2142857), wk = 0.0037594 k( 256) = ( 0.5000000 -0.0000000 0.1428571), wk = 0.0037594 k( 257) = ( 0.5000000 -0.0000000 0.0714286), wk = 0.0037594 k( 258) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0037594 k( 259) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0037594 k( 260) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0037594 k( 261) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0037594 k( 262) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0037594 k( 263) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0037594 k( 264) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0037594 k( 265) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0037594 k( 266) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0037594 Dense grid: 161095 G-vectors FFT dimensions: ( 40, 40, 225) Smooth grid: 62113 G-vectors FFT dimensions: ( 30, 30, 180) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 240, 80) NL pseudopotentials 0.75 Mb ( 120, 408) Each V/rho on FFT grid 0.10 Mb ( 6400) Each G-vector array 0.02 Mb ( 2249) G-vector shells 0.01 Mb ( 1132) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.17 Mb ( 240, 320) Each subspace H/S matrix 0.04 Mb ( 53, 53) Each matrix 1.00 Mb ( 408, 2, 80) The potential is recalculated from file : ./SbTe.save/charge-density.dat Starting wfc are 96 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.4 secs Computing kpt #: 2 total cpu time spent up to now is 6.3 secs Computing kpt #: 3 total cpu time spent up to now is 8.1 secs Computing kpt #: 4 total cpu time spent up to now is 9.8 secs Computing kpt #: 5 total cpu time spent up to now is 11.6 secs Computing kpt #: 6 total cpu time spent up to now is 13.5 secs Computing kpt #: 7 total cpu time spent up to now is 15.5 secs Computing kpt #: 8 total cpu time spent up to now is 17.3 secs Computing kpt #: 9 total cpu time spent up to now is 19.1 secs Computing kpt #: 10 total cpu time spent up to now is 20.9 secs Computing kpt #: 11 total cpu time spent up to now is 22.5 secs Computing kpt #: 12 total cpu time spent up to now is 24.0 secs Computing kpt #: 13 total cpu time spent up to now is 25.6 secs Computing kpt #: 14 total cpu time spent up to now is 27.2 secs Computing kpt #: 15 total cpu time spent up to now is 28.9 secs Computing kpt #: 16 total cpu time spent up to now is 30.6 secs Computing kpt #: 17 total cpu time spent up to now is 32.3 secs Computing kpt #: 18 total cpu time spent up to now is 34.2 secs Computing kpt #: 19 total cpu time spent up to now is 36.2 secs Computing kpt #: 20 total cpu time spent up to now is 38.1 secs Computing kpt #: 21 total cpu time spent up to now is 39.9 secs Computing kpt #: 22 total cpu time spent up to now is 41.7 secs Computing kpt #: 23 total cpu time spent up to now is 43.5 secs Computing kpt #: 24 total cpu time spent up to now is 45.2 secs Computing kpt #: 25 total cpu time spent up to now is 47.0 secs Computing kpt #: 26 total cpu time spent up to now is 48.7 secs Computing kpt #: 27 total cpu time spent up to now is 50.5 secs Computing kpt #: 28 total cpu time spent up to now is 52.4 secs Computing kpt #: 29 total cpu time spent up to now is 54.1 secs Computing kpt #: 30 total cpu time spent up to now is 56.0 secs Computing kpt #: 31 total cpu time spent up to now is 57.7 secs Computing kpt #: 32 total cpu time spent up to now is 60.2 secs Computing kpt #: 33 total cpu time spent up to now is 63.1 secs Computing kpt #: 34 total cpu time spent up to now is 65.8 secs Computing kpt #: 35 total cpu time spent up to now is 68.1 secs Computing kpt #: 36 total cpu time spent up to now is 70.3 secs Computing kpt #: 37 total cpu time spent up to now is 72.3 secs Computing kpt #: 38 total cpu time spent up to now is 74.3 secs Computing kpt #: 39 total cpu time spent up to now is 76.2 secs Computing kpt #: 40 total cpu time spent up to now is 78.1 secs Computing kpt #: 41 total cpu time spent up to now is 79.9 secs Computing kpt #: 42 total cpu time spent up to now is 81.8 secs Computing kpt #: 43 total cpu time spent up to now is 83.6 secs Computing kpt #: 44 total cpu time spent up to now is 85.5 secs Computing kpt #: 45 total cpu time spent up to now is 87.3 secs Computing kpt #: 46 total cpu time spent up to now is 89.2 secs Computing kpt #: 47 total cpu time spent up to now is 91.0 secs Computing kpt #: 48 total cpu time spent up to now is 92.8 secs Computing kpt #: 49 total cpu time spent up to now is 94.7 secs Computing kpt #: 50 total cpu time spent up to now is 96.8 secs Computing kpt #: 51 total cpu time spent up to now is 99.5 secs Computing kpt #: 52 total cpu time spent up to now is 101.7 secs Computing kpt #: 53 total cpu time spent up to now is 103.9 secs Computing kpt #: 54 total cpu time spent up to now is 106.0 secs Computing kpt #: 55 total cpu time spent up to now is 108.1 secs Computing kpt #: 56 total cpu time spent up to now is 110.4 secs Computing kpt #: 57 total cpu time spent up to now is 112.7 secs Computing kpt #: 58 total cpu time spent up to now is 114.8 secs Computing kpt #: 59 total cpu time spent up to now is 116.8 secs Computing kpt #: 60 total cpu time spent up to now is 118.6 secs Computing kpt #: 61 total cpu time spent up to now is 120.3 secs Computing kpt #: 62 total cpu time spent up to now is 121.8 secs Computing kpt #: 63 total cpu time spent up to now is 123.6 secs Computing kpt #: 64 total cpu time spent up to now is 125.7 secs Computing kpt #: 65 total cpu time spent up to now is 127.8 secs Computing kpt #: 66 total cpu time spent up to now is 130.4 secs Computing kpt #: 67 total cpu time spent up to now is 133.0 secs Computing kpt #: 68 total cpu time spent up to now is 136.2 secs Computing kpt #: 69 total cpu time spent up to now is 138.5 secs Computing kpt #: 70 total cpu time spent up to now is 140.5 secs Computing kpt #: 71 total cpu time spent up to now is 142.7 secs Computing kpt #: 72 total cpu time spent up to now is 145.0 secs Computing kpt #: 73 total cpu time spent up to now is 147.3 secs Computing kpt #: 74 total cpu time spent up to now is 149.4 secs Computing kpt #: 75 total cpu time spent up to now is 151.4 secs Computing kpt #: 76 total cpu time spent up to now is 153.2 secs Computing kpt #: 77 total cpu time spent up to now is 155.0 secs Computing kpt #: 78 total cpu time spent up to now is 156.9 secs Computing kpt #: 79 total cpu time spent up to now is 158.7 secs Computing kpt #: 80 total cpu time spent up to now is 160.5 secs Computing kpt #: 81 total cpu time spent up to now is 162.6 secs Computing kpt #: 82 total cpu time spent up to now is 165.2 secs Computing kpt #: 83 total cpu time spent up to now is 168.1 secs Computing kpt #: 84 total cpu time spent up to now is 170.8 secs Computing kpt #: 85 total cpu time spent up to now is 173.2 secs Computing kpt #: 86 total cpu time spent up to now is 175.3 secs Computing kpt #: 87 total cpu time spent up to now is 177.5 secs Computing kpt #: 88 total cpu time spent up to now is 179.7 secs Computing kpt #: 89 total cpu time spent up to now is 181.8 secs Computing kpt #: 90 total cpu time spent up to now is 184.1 secs Computing kpt #: 91 total cpu time spent up to now is 186.3 secs Computing kpt #: 92 total cpu time spent up to now is 188.6 secs Computing kpt #: 93 total cpu time spent up to now is 191.2 secs Computing kpt #: 94 total cpu time spent up to now is 193.7 secs Computing kpt #: 95 total cpu time spent up to now is 196.4 secs Computing kpt #: 96 total cpu time spent up to now is 199.0 secs Computing kpt #: 97 total cpu time spent up to now is 201.4 secs Computing kpt #: 98 total cpu time spent up to now is 203.5 secs Computing kpt #: 99 total cpu time spent up to now is 205.4 secs Computing kpt #: 100 total cpu time spent up to now is 207.3 secs Computing kpt #: 101 total cpu time spent up to now is 209.1 secs Computing kpt #: 102 total cpu time spent up to now is 210.9 secs Computing kpt #: 103 total cpu time spent up to now is 212.9 secs Computing kpt #: 104 total cpu time spent up to now is 214.8 secs Computing kpt #: 105 total cpu time spent up to now is 216.5 secs Computing kpt #: 106 total cpu time spent up to now is 218.2 secs Computing kpt #: 107 total cpu time spent up to now is 219.9 secs Computing kpt #: 108 total cpu time spent up to now is 221.5 secs Computing kpt #: 109 total cpu time spent up to now is 223.1 secs Computing kpt #: 110 total cpu time spent up to now is 224.9 secs Computing kpt #: 111 total cpu time spent up to now is 226.7 secs Computing kpt #: 112 total cpu time spent up to now is 228.3 secs Computing kpt #: 113 total cpu time spent up to now is 229.9 secs Computing kpt #: 114 total cpu time spent up to now is 231.7 secs Computing kpt #: 115 total cpu time spent up to now is 233.6 secs Computing kpt #: 116 total cpu time spent up to now is 235.9 secs Computing kpt #: 117 total cpu time spent up to now is 237.7 secs Computing kpt #: 118 total cpu time spent up to now is 239.5 secs Computing kpt #: 119 total cpu time spent up to now is 241.1 secs Computing kpt #: 120 total cpu time spent up to now is 242.8 secs Computing kpt #: 121 total cpu time spent up to now is 244.4 secs Computing kpt #: 122 total cpu time spent up to now is 246.0 secs Computing kpt #: 123 total cpu time spent up to now is 247.7 secs Computing kpt #: 124 total cpu time spent up to now is 249.3 secs Computing kpt #: 125 total cpu time spent up to now is 250.9 secs Computing kpt #: 126 total cpu time spent up to now is 252.7 secs Computing kpt #: 127 total cpu time spent up to now is 254.3 secs Computing kpt #: 128 total cpu time spent up to now is 255.9 secs Computing kpt #: 129 total cpu time spent up to now is 257.7 secs Computing kpt #: 130 total cpu time spent up to now is 260.1 secs Computing kpt #: 131 total cpu time spent up to now is 261.9 secs Computing kpt #: 132 total cpu time spent up to now is 263.7 secs Computing kpt #: 133 total cpu time spent up to now is 265.5 secs Computing kpt #: 134 total cpu time spent up to now is 267.3 secs Computing kpt #: 135 total cpu time spent up to now is 269.6 secs Computing kpt #: 136 total cpu time spent up to now is 271.7 secs Computing kpt #: 137 total cpu time spent up to now is 273.4 secs Computing kpt #: 138 total cpu time spent up to now is 275.0 secs Computing kpt #: 139 total cpu time spent up to now is 276.6 secs Computing kpt #: 140 total cpu time spent up to now is 278.2 secs Computing kpt #: 141 total cpu time spent up to now is 279.8 secs Computing kpt #: 142 total cpu time spent up to now is 281.4 secs Computing kpt #: 143 total cpu time spent up to now is 283.1 secs Computing kpt #: 144 total cpu time spent up to now is 284.9 secs Computing kpt #: 145 total cpu time spent up to now is 286.6 secs Computing kpt #: 146 total cpu time spent up to now is 288.3 secs Computing kpt #: 147 total cpu time spent up to now is 289.8 secs Computing kpt #: 148 total cpu time spent up to now is 291.5 secs Computing kpt #: 149 total cpu time spent up to now is 293.4 secs Computing kpt #: 150 total cpu time spent up to now is 295.4 secs Computing kpt #: 151 total cpu time spent up to now is 297.6 secs Computing kpt #: 152 total cpu time spent up to now is 300.4 secs Computing kpt #: 153 total cpu time spent up to now is 303.3 secs Computing kpt #: 154 total cpu time spent up to now is 307.5 secs Computing kpt #: 155 total cpu time spent up to now is 311.1 secs Computing kpt #: 156 total cpu time spent up to now is 313.1 secs Computing kpt #: 157 total cpu time spent up to now is 315.3 secs Computing kpt #: 158 total cpu time spent up to now is 317.2 secs Computing kpt #: 159 total cpu time spent up to now is 319.2 secs Computing kpt #: 160 total cpu time spent up to now is 321.4 secs Computing kpt #: 161 total cpu time spent up to now is 323.6 secs Computing kpt #: 162 total cpu time spent up to now is 325.8 secs Computing kpt #: 163 total cpu time spent up to now is 328.0 secs Computing kpt #: 164 total cpu time spent up to now is 330.0 secs Computing kpt #: 165 total cpu time spent up to now is 332.0 secs Computing kpt #: 166 total cpu time spent up to now is 334.1 secs Computing kpt #: 167 total cpu time spent up to now is 336.1 secs Computing kpt #: 168 total cpu time spent up to now is 338.1 secs Computing kpt #: 169 total cpu time spent up to now is 340.2 secs Computing kpt #: 170 total cpu time spent up to now is 342.4 secs Computing kpt #: 171 total cpu time spent up to now is 344.8 secs Computing kpt #: 172 total cpu time spent up to now is 347.4 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 351.6 secs Computing kpt #: 174 total cpu time spent up to now is 355.6 secs Computing kpt #: 175 total cpu time spent up to now is 359.2 secs Computing kpt #: 176 total cpu time spent up to now is 362.0 secs Computing kpt #: 177 total cpu time spent up to now is 365.7 secs Computing kpt #: 178 total cpu time spent up to now is 369.3 secs Computing kpt #: 179 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 373.5 secs Computing kpt #: 180 total cpu time spent up to now is 376.9 secs Computing kpt #: 181 total cpu time spent up to now is 379.2 secs Computing kpt #: 182 total cpu time spent up to now is 381.7 secs Computing kpt #: 183 total cpu time spent up to now is 384.0 secs Computing kpt #: 184 total cpu time spent up to now is 386.2 secs Computing kpt #: 185 total cpu time spent up to now is 388.2 secs Computing kpt #: 186 total cpu time spent up to now is 390.2 secs Computing kpt #: 187 total cpu time spent up to now is 392.5 secs Computing kpt #: 188 total cpu time spent up to now is 394.9 secs Computing kpt #: 189 total cpu time spent up to now is 397.0 secs Computing kpt #: 190 total cpu time spent up to now is 398.9 secs Computing kpt #: 191 total cpu time spent up to now is 400.8 secs Computing kpt #: 192 total cpu time spent up to now is 402.6 secs Computing kpt #: 193 total cpu time spent up to now is 404.5 secs Computing kpt #: 194 total cpu time spent up to now is 406.5 secs Computing kpt #: 195 total cpu time spent up to now is 408.7 secs Computing kpt #: 196 total cpu time spent up to now is 410.9 secs Computing kpt #: 197 total cpu time spent up to now is 413.2 secs Computing kpt #: 198 total cpu time spent up to now is 415.3 secs Computing kpt #: 199 total cpu time spent up to now is 417.4 secs Computing kpt #: 200 total cpu time spent up to now is 419.5 secs Computing kpt #: 201 total cpu time spent up to now is 421.6 secs Computing kpt #: 202 total cpu time spent up to now is 423.8 secs Computing kpt #: 203 total cpu time spent up to now is 425.9 secs Computing kpt #: 204 total cpu time spent up to now is 427.8 secs Computing kpt #: 205 total cpu time spent up to now is 429.6 secs Computing kpt #: 206 total cpu time spent up to now is 431.5 secs Computing kpt #: 207 total cpu time spent up to now is 433.2 secs Computing kpt #: 208 total cpu time spent up to now is 434.5 secs Computing kpt #: 209 total cpu time spent up to now is 436.1 secs Computing kpt #: 210 total cpu time spent up to now is 437.7 secs Computing kpt #: 211 total cpu time spent up to now is 439.3 secs Computing kpt #: 212 total cpu time spent up to now is 440.9 secs Computing kpt #: 213 total cpu time spent up to now is 442.5 secs Computing kpt #: 214 total cpu time spent up to now is 444.2 secs Computing kpt #: 215 total cpu time spent up to now is 445.9 secs Computing kpt #: 216 total cpu time spent up to now is 447.8 secs Computing kpt #: 217 total cpu time spent up to now is 449.6 secs Computing kpt #: 218 total cpu time spent up to now is 451.4 secs Computing kpt #: 219 total cpu time spent up to now is 453.3 secs Computing kpt #: 220 total cpu time spent up to now is 455.1 secs Computing kpt #: 221 total cpu time spent up to now is 456.7 secs Computing kpt #: 222 total cpu time spent up to now is 458.4 secs Computing kpt #: 223 total cpu time spent up to now is 460.0 secs Computing kpt #: 224 total cpu time spent up to now is 461.7 secs Computing kpt #: 225 total cpu time spent up to now is 463.3 secs Computing kpt #: 226 total cpu time spent up to now is 464.9 secs Computing kpt #: 227 total cpu time spent up to now is 466.5 secs Computing kpt #: 228 total cpu time spent up to now is 468.1 secs Computing kpt #: 229 total cpu time spent up to now is 469.7 secs Computing kpt #: 230 total cpu time spent up to now is 471.4 secs Computing kpt #: 231 total cpu time spent up to now is 473.0 secs Computing kpt #: 232 total cpu time spent up to now is 474.7 secs Computing kpt #: 233 total cpu time spent up to now is 476.4 secs Computing kpt #: 234 total cpu time spent up to now is 478.1 secs Computing kpt #: 235 total cpu time spent up to now is 479.9 secs Computing kpt #: 236 total cpu time spent up to now is 481.7 secs Computing kpt #: 237 total cpu time spent up to now is 483.2 secs Computing kpt #: 238 total cpu time spent up to now is 484.9 secs Computing kpt #: 239 total cpu time spent up to now is 486.4 secs Computing kpt #: 240 total cpu time spent up to now is 488.0 secs Computing kpt #: 241 total cpu time spent up to now is 489.6 secs Computing kpt #: 242 total cpu time spent up to now is 491.4 secs Computing kpt #: 243 total cpu time spent up to now is 493.2 secs Computing kpt #: 244 total cpu time spent up to now is 495.6 secs Computing kpt #: 245 total cpu time spent up to now is 498.0 secs Computing kpt #: 246 total cpu time spent up to now is 499.8 secs Computing kpt #: 247 total cpu time spent up to now is 501.6 secs Computing kpt #: 248 total cpu time spent up to now is 503.4 secs Computing kpt #: 249 total cpu time spent up to now is 505.2 secs Computing kpt #: 250 total cpu time spent up to now is 507.0 secs Computing kpt #: 251 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 511.1 secs Computing kpt #: 252 total cpu time spent up to now is 513.6 secs Computing kpt #: 253 total cpu time spent up to now is 515.6 secs Computing kpt #: 254 total cpu time spent up to now is 517.6 secs Computing kpt #: 255 total cpu time spent up to now is 519.6 secs Computing kpt #: 256 total cpu time spent up to now is 521.5 secs Computing kpt #: 257 total cpu time spent up to now is 523.4 secs Computing kpt #: 258 total cpu time spent up to now is 525.3 secs Computing kpt #: 259 total cpu time spent up to now is 527.4 secs Computing kpt #: 260 total cpu time spent up to now is 529.5 secs Computing kpt #: 261 total cpu time spent up to now is 531.7 secs Computing kpt #: 262 total cpu time spent up to now is 533.9 secs Computing kpt #: 263 total cpu time spent up to now is 536.0 secs Computing kpt #: 264 total cpu time spent up to now is 538.1 secs Computing kpt #: 265 total cpu time spent up to now is 540.3 secs Computing kpt #: 266 total cpu time spent up to now is 542.5 secs ethr = 1.52E-08, avg # of iterations = 38.2 total cpu time spent up to now is 542.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7779 PWs) bands (ev): -6.6961 -6.6961 -6.5617 -6.5617 -6.2956 -6.2956 -5.9776 -5.9776 -5.3170 -5.3170 -4.8930 -4.8930 -4.6245 -4.6245 -2.3234 -2.3234 -2.1447 -2.1447 -0.7179 -0.7179 -0.6854 -0.6854 0.4731 0.4731 3.3006 3.3006 3.9355 3.9355 4.0221 4.0221 4.3559 4.3559 4.3869 4.3869 4.6289 4.6289 4.6510 4.6510 4.7697 4.7697 4.7965 4.7965 4.8481 4.8481 4.9290 4.9290 4.9748 4.9748 5.0480 5.0480 5.4251 5.4251 5.4930 5.4930 5.5181 5.5181 5.6286 5.6286 5.6535 5.6535 5.9995 5.9995 6.4593 6.4593 6.4883 6.4883 6.7468 6.7468 6.9168 6.9168 7.2779 7.2779 7.3479 7.3479 7.4093 7.4093 7.6485 7.6485 7.6613 7.6613 k = 0.0116 0.0067-0.0000 ( 7765 PWs) bands (ev): -6.6948 -6.6948 -6.5604 -6.5604 -6.2944 -6.2944 -5.9765 -5.9765 -5.3160 -5.3160 -4.8922 -4.8922 -4.6235 -4.6235 -2.3231 -2.3231 -2.1445 -2.1445 -0.7192 -0.7192 -0.6865 -0.6865 0.4704 0.4704 3.3008 3.3008 3.9266 3.9266 4.0108 4.0108 4.3546 4.3546 4.3710 4.3710 4.6117 4.6117 4.6462 4.6462 4.7700 4.7700 4.7735 4.7735 4.8697 4.8697 4.9047 4.9047 4.9942 4.9942 5.0472 5.0472 5.4057 5.4057 5.4730 5.4730 5.5362 5.5362 5.6205 5.6205 5.6832 5.6832 5.9952 5.9952 6.4573 6.4573 6.5118 6.5118 6.7466 6.7466 6.9234 6.9234 7.2438 7.2438 7.3772 7.3772 7.3947 7.3947 7.6454 7.6454 7.6691 7.6691 k = 0.0233 0.0134-0.0000 ( 7777 PWs) bands (ev): -6.6911 -6.6911 -6.5567 -6.5567 -6.2909 -6.2909 -5.9731 -5.9731 -5.3129 -5.3129 -4.8899 -4.8899 -4.6203 -4.6203 -2.3222 -2.3222 -2.1438 -2.1438 -0.7232 -0.7232 -0.6898 -0.6898 0.4622 0.4622 3.3015 3.3015 3.9006 3.9006 3.9789 3.9789 4.3240 4.3240 4.3510 4.3510 4.5692 4.5692 4.6292 4.6292 4.7170 4.7170 4.7796 4.7796 4.8577 4.8577 4.9133 4.9133 5.0233 5.0233 5.0437 5.0437 5.3517 5.3517 5.4386 5.4386 5.5726 5.5726 5.6170 5.6170 5.7297 5.7297 5.9992 5.9992 6.4460 6.4460 6.5603 6.5603 6.7568 6.7568 6.9464 6.9464 7.2031 7.2031 7.3352 7.3352 7.4267 7.4267 7.6560 7.6560 7.6717 7.6717 k = 0.0349 0.0201-0.0000 ( 7775 PWs) bands (ev): -6.6849 -6.6849 -6.5506 -6.5506 -6.2850 -6.2850 -5.9674 -5.9674 -5.3077 -5.3077 -4.8862 -4.8862 -4.6150 -4.6150 -2.3207 -2.3207 -2.1428 -2.1428 -0.7299 -0.7299 -0.6954 -0.6954 0.4487 0.4487 3.3024 3.3024 3.8592 3.8592 3.9307 3.9307 4.2494 4.2494 4.3430 4.3430 4.5101 4.5101 4.5938 4.5938 4.6688 4.6688 4.7699 4.7699 4.8112 4.8112 4.9505 4.9505 5.0252 5.0252 5.0618 5.0618 5.2973 5.2973 5.4069 5.4069 5.5336 5.5336 5.6934 5.6934 5.7508 5.7508 6.0396 6.0396 6.4072 6.4072 6.6022 6.6022 6.7949 6.7949 6.9945 6.9945 7.1764 7.1764 7.2861 7.2861 7.4288 7.4288 7.6557 7.6557 7.7058 7.7058 k = 0.0465 0.0269-0.0000 ( 7771 PWs) bands (ev): -6.6762 -6.6762 -6.5419 -6.5419 -6.2768 -6.2768 -5.9595 -5.9595 -5.3005 -5.3005 -4.8810 -4.8810 -4.6076 -4.6076 -2.3187 -2.3187 -2.1415 -2.1415 -0.7394 -0.7394 -0.7033 -0.7033 0.4300 0.4300 3.3030 3.3030 3.8047 3.8047 3.8716 3.8716 4.1509 4.1509 4.3267 4.3267 4.4442 4.4442 4.5348 4.5348 4.6368 4.6368 4.7099 4.7099 4.7994 4.7994 4.9447 4.9447 5.0162 5.0162 5.0862 5.0862 5.2776 5.2776 5.3862 5.3862 5.4759 5.4759 5.7356 5.7356 5.7917 5.7917 6.1142 6.1142 6.3392 6.3392 6.6246 6.6246 6.8479 6.8479 7.0722 7.0722 7.1603 7.1603 7.2604 7.2604 7.3955 7.3955 7.6591 7.6591 7.7577 7.7577 k = 0.0581 0.0336-0.0000 ( 7783 PWs) bands (ev): -6.6651 -6.6651 -6.5308 -6.5308 -6.2663 -6.2663 -5.9493 -5.9493 -5.2912 -5.2912 -4.8743 -4.8743 -4.5981 -4.5981 -2.3163 -2.3163 -2.1398 -2.1398 -0.7517 -0.7517 -0.7136 -0.7136 0.4063 0.4063 3.3026 3.3026 3.7399 3.7399 3.8058 3.8058 4.0347 4.0347 4.2921 4.2921 4.3855 4.3855 4.4619 4.4619 4.5887 4.5887 4.6533 4.6533 4.7887 4.7887 4.8939 4.8939 5.0032 5.0032 5.0891 5.0891 5.3107 5.3107 5.3740 5.3740 5.4274 5.4274 5.7167 5.7167 5.8709 5.8709 6.1979 6.1979 6.2598 6.2598 6.6286 6.6286 6.8938 6.8938 7.1411 7.1411 7.1670 7.1670 7.2875 7.2875 7.3471 7.3471 7.6744 7.6744 7.8056 7.8056 k = 0.0698 0.0403-0.0000 ( 7775 PWs) bands (ev): -6.6515 -6.6515 -6.5172 -6.5172 -6.2534 -6.2534 -5.9370 -5.9370 -5.2799 -5.2799 -4.8662 -4.8662 -4.5865 -4.5865 -2.3134 -2.3134 -2.1380 -2.1380 -0.7672 -0.7672 -0.7263 -0.7263 0.3778 0.3778 3.3001 3.3001 3.6683 3.6683 3.7355 3.7355 3.9078 3.9078 4.2299 4.2299 4.3367 4.3367 4.3820 4.3820 4.5141 4.5141 4.6203 4.6203 4.7627 4.7627 4.8294 4.8294 4.9719 4.9719 5.0757 5.0757 5.3512 5.3512 5.3643 5.3643 5.4292 5.4292 5.6920 5.6920 5.9183 5.9183 6.1917 6.1917 6.2712 6.2712 6.6189 6.6189 6.9296 6.9296 7.1363 7.1363 7.2348 7.2348 7.2911 7.2911 7.3931 7.3931 7.6963 7.6963 7.8427 7.8427 k = 0.0814 0.0470-0.0000 ( 7775 PWs) bands (ev): -6.6355 -6.6355 -6.5012 -6.5012 -6.2382 -6.2382 -5.9224 -5.9224 -5.2667 -5.2667 -4.8566 -4.8566 -4.5728 -4.5728 -2.3102 -2.3102 -2.1361 -2.1361 -0.7860 -0.7860 -0.7415 -0.7415 0.3447 0.3447 3.2933 3.2933 3.5925 3.5925 3.6620 3.6620 3.7772 3.7772 4.1468 4.1468 4.2590 4.2590 4.3240 4.3240 4.4426 4.4426 4.5851 4.5851 4.7118 4.7118 4.7706 4.7706 4.9274 4.9274 5.0548 5.0548 5.3383 5.3383 5.3872 5.3872 5.4871 5.4871 5.6694 5.6694 5.8995 5.8995 6.1732 6.1732 6.3072 6.3072 6.6060 6.6060 6.9628 6.9628 7.1397 7.1397 7.2520 7.2520 7.3131 7.3131 7.5154 7.5154 7.7153 7.7153 7.8742 7.8742 k = 0.0930 0.0537-0.0000 ( 7763 PWs) bands (ev): -6.6170 -6.6170 -6.4828 -6.4828 -6.2208 -6.2208 -5.9056 -5.9056 -5.2515 -5.2515 -4.8458 -4.8458 -4.5570 -4.5570 -2.3069 -2.3069 -2.1341 -2.1341 -0.8084 -0.8084 -0.7593 -0.7593 0.3073 0.3073 3.2781 3.2781 3.5130 3.5130 3.5873 3.5873 3.6502 3.6502 4.0470 4.0470 4.1616 4.1616 4.2755 4.2755 4.3815 4.3815 4.5367 4.5367 4.6451 4.6451 4.7147 4.7147 4.8756 4.8756 5.0392 5.0392 5.3369 5.3369 5.3958 5.3958 5.5451 5.5451 5.6639 5.6639 5.8315 5.8315 6.1684 6.1684 6.3181 6.3181 6.5933 6.5933 6.9983 6.9983 7.1605 7.1605 7.2369 7.2369 7.4035 7.4035 7.6158 7.6158 7.7317 7.7317 7.9057 7.9058 k = 0.1047 0.0604-0.0000 ( 7775 PWs) bands (ev): -6.5960 -6.5960 -6.4620 -6.4620 -6.2010 -6.2010 -5.8866 -5.8866 -5.2344 -5.2344 -4.8336 -4.8336 -4.5391 -4.5391 -2.3034 -2.3034 -2.1322 -2.1322 -0.8347 -0.8347 -0.7796 -0.7796 0.2660 0.2660 3.2473 3.2473 3.4264 3.4264 3.5061 3.5061 3.5456 3.5456 3.9336 3.9336 4.0681 4.0681 4.2158 4.2158 4.3271 4.3271 4.4725 4.4725 4.5798 4.5798 4.6501 4.6501 4.8283 4.8283 5.0323 5.0323 5.3372 5.3372 5.3975 5.3975 5.5564 5.5564 5.6786 5.6786 5.7801 5.7801 6.1183 6.1183 6.3347 6.3347 6.5776 6.5776 7.0404 7.0404 7.1557 7.1557 7.2902 7.2902 7.5025 7.5025 7.6490 7.6490 7.7619 7.7619 7.9423 7.9423 k = 0.1163 0.0671-0.0000 ( 7769 PWs) bands (ev): -6.5727 -6.5727 -6.4387 -6.4387 -6.1790 -6.1790 -5.8655 -5.8655 -5.2155 -5.2155 -4.8202 -4.8202 -4.5192 -4.5192 -2.3001 -2.3001 -2.1306 -2.1306 -0.8651 -0.8651 -0.8026 -0.8026 0.2212 0.2212 3.1904 3.1904 3.3345 3.3345 3.4042 3.4042 3.4877 3.4877 3.8151 3.8151 3.9797 3.9797 4.1433 4.1433 4.2708 4.2708 4.3980 4.3980 4.5173 4.5173 4.5816 4.5816 4.7909 4.7909 5.0311 5.0311 5.3276 5.3276 5.3938 5.3938 5.5290 5.5290 5.6420 5.6420 5.8228 5.8228 6.0297 6.0297 6.3383 6.3383 6.5737 6.5737 7.0870 7.0870 7.1358 7.1358 7.3867 7.3867 7.6039 7.6039 7.6445 7.6445 7.7710 7.7710 8.0016 8.0016 k = 0.1279 0.0738-0.0000 ( 7763 PWs) bands (ev): -6.5470 -6.5470 -6.4131 -6.4131 -6.1548 -6.1548 -5.8423 -5.8423 -5.1948 -5.1948 -4.8056 -4.8056 -4.4973 -4.4973 -2.2970 -2.2970 -2.1294 -2.1294 -0.8998 -0.8998 -0.8285 -0.8285 0.1732 0.1732 3.1003 3.1003 3.2480 3.2480 3.3008 3.3008 3.4525 3.4525 3.7013 3.7013 3.8937 3.8937 4.0585 4.0585 4.2069 4.2069 4.3209 4.3209 4.4521 4.4521 4.5216 4.5216 4.7611 4.7611 5.0321 5.0321 5.3022 5.3022 5.3759 5.3759 5.4826 5.4826 5.6133 5.6133 5.8789 5.8789 5.9379 5.9379 6.3068 6.3068 6.5976 6.5976 7.0940 7.0940 7.1585 7.1585 7.4831 7.4831 7.6221 7.6221 7.7247 7.7247 7.7583 7.7583 8.0781 8.0781 k = 0.1395 0.0806-0.0000 ( 7757 PWs) bands (ev): -6.5189 -6.5189 -6.3851 -6.3851 -6.1284 -6.1284 -5.8170 -5.8170 -5.1723 -5.1723 -4.7900 -4.7900 -4.4734 -4.4734 -2.2945 -2.2945 -2.1286 -2.1286 -0.9389 -0.9389 -0.8574 -0.8574 0.1224 0.1224 2.9873 2.9873 3.1573 3.1573 3.2081 3.2081 3.4237 3.4237 3.6013 3.6013 3.8082 3.8082 3.9615 3.9615 4.1369 4.1369 4.2441 4.2441 4.3846 4.3846 4.4736 4.4736 4.7350 4.7350 5.0328 5.0328 5.2626 5.2626 5.3209 5.3209 5.4588 5.4588 5.6029 5.6029 5.7922 5.7922 5.9753 5.9753 6.2520 6.2520 6.6393 6.6393 7.0692 7.0692 7.2153 7.2153 7.5305 7.5305 7.6275 7.6275 7.7527 7.7527 7.8542 7.8542 8.1596 8.1596 k = 0.1512 0.0873-0.0000 ( 7765 PWs) bands (ev): -6.4884 -6.4884 -6.3548 -6.3548 -6.0998 -6.0998 -5.7897 -5.7897 -5.1483 -5.1483 -4.7733 -4.7733 -4.4474 -4.4474 -2.2928 -2.2928 -2.1285 -2.1285 -0.9824 -0.9824 -0.8895 -0.8895 0.0692 0.0692 2.8656 2.8656 3.0460 3.0460 3.1351 3.1351 3.3853 3.3853 3.5270 3.5270 3.7224 3.7224 3.8546 3.8546 4.0657 4.0657 4.1674 4.1674 4.3182 4.3182 4.4337 4.4337 4.7095 4.7095 5.0308 5.0308 5.2063 5.2063 5.2517 5.2517 5.4557 5.4557 5.5979 5.5979 5.6731 5.6731 6.0235 6.0235 6.1952 6.1952 6.6852 6.6852 7.0429 7.0429 7.2739 7.2739 7.5262 7.5262 7.6170 7.6170 7.8122 7.8122 7.9881 7.9881 8.2403 8.2403 k = 0.1628 0.0940-0.0000 ( 7763 PWs) bands (ev): -6.4556 -6.4556 -6.3222 -6.3222 -6.0691 -6.0691 -5.7604 -5.7604 -5.1227 -5.1227 -4.7556 -4.7556 -4.4195 -4.4195 -2.2921 -2.2921 -2.1292 -2.1292 -1.0304 -1.0304 -0.9250 -0.9250 0.0140 0.0140 2.7425 2.7425 2.9236 2.9236 3.0701 3.0701 3.3278 3.3278 3.4839 3.4839 3.6353 3.6353 3.7437 3.7437 3.9956 3.9956 4.0912 4.0912 4.2540 4.2540 4.3981 4.3981 4.6817 4.6817 5.0211 5.0211 5.1320 5.1320 5.1976 5.1976 5.4542 5.4542 5.5552 5.5552 5.5954 5.5954 6.0264 6.0264 6.1658 6.1658 6.7275 6.7275 7.0185 7.0185 7.3287 7.3287 7.5102 7.5102 7.5956 7.5956 7.8944 7.8944 8.1267 8.1267 8.3093 8.3093 k = 0.1744 0.1007-0.0000 ( 7783 PWs) bands (ev): -6.4206 -6.4206 -6.2872 -6.2872 -6.0363 -6.0363 -5.7292 -5.7292 -5.0957 -5.0957 -4.7372 -4.7372 -4.3896 -4.3896 -2.2929 -2.2929 -2.1309 -2.1309 -1.0826 -1.0826 -0.9642 -0.9642 -0.0429 -0.0429 2.6208 2.6208 2.7969 2.7969 3.0060 3.0060 3.2622 3.2622 3.4552 3.4552 3.5452 3.5452 3.6392 3.6392 3.9272 3.9272 4.0167 4.0167 4.1917 4.1917 4.3643 4.3643 4.6482 4.6482 4.9894 4.9894 5.0665 5.0665 5.1539 5.1539 5.4177 5.4177 5.4802 5.4802 5.5887 5.5887 5.9763 5.9763 6.1695 6.1695 6.7613 6.7613 6.9986 6.9986 7.3747 7.3747 7.4954 7.4954 7.5874 7.5874 7.9732 7.9732 8.2519 8.2519 8.3478 8.3478 k = 0.1860 0.1074-0.0000 ( 7767 PWs) bands (ev): -6.3832 -6.3832 -6.2501 -6.2501 -6.0014 -6.0014 -5.6961 -5.6961 -5.0674 -5.0674 -4.7181 -4.7181 -4.3578 -4.3578 -2.2954 -2.2954 -2.1336 -2.1336 -1.1388 -1.1388 -1.0072 -1.0072 -0.1012 -0.1012 2.5016 2.5016 2.6697 2.6697 2.9393 2.9393 3.2007 3.2007 3.4136 3.4136 3.4532 3.4532 3.5585 3.5585 3.8605 3.8605 3.9450 3.9450 4.1310 4.1310 4.3310 4.3310 4.6051 4.6051 4.9249 4.9249 5.0239 5.0239 5.1188 5.1188 5.3268 5.3268 5.4693 5.4693 5.5803 5.5803 5.9074 5.9074 6.1704 6.1704 6.7813 6.7813 6.9873 6.9873 7.4085 7.4085 7.4880 7.4880 7.6001 7.6001 8.0417 8.0417 8.3097 8.3097 8.4189 8.4189 k = 0.1977 0.1141-0.0000 ( 7769 PWs) bands (ev): -6.3436 -6.3436 -6.2107 -6.2107 -5.9646 -5.9646 -5.6613 -5.6613 -5.0379 -5.0379 -4.6985 -4.6985 -4.3240 -4.3240 -2.3001 -2.3001 -2.1376 -2.1376 -1.1989 -1.1989 -1.0541 -1.0541 -0.1605 -0.1605 2.3852 2.3852 2.5452 2.5452 2.8669 2.8669 3.1479 3.1479 3.3296 3.3296 3.3741 3.3741 3.5150 3.5150 3.7954 3.7954 3.8763 3.8763 4.0717 4.0717 4.2971 4.2971 4.5495 4.5495 4.8484 4.8484 4.9804 4.9804 5.0923 5.0923 5.2485 5.2485 5.4633 5.4633 5.5691 5.5691 5.8347 5.8347 6.1539 6.1539 6.7832 6.7832 6.9879 6.9879 7.4352 7.4352 7.4888 7.4888 7.6308 7.6308 8.0973 8.0973 8.3245 8.3245 8.4993 8.4993 k = 0.2093 0.1208-0.0000 ( 7743 PWs) bands (ev): -6.3018 -6.3018 -6.1692 -6.1692 -5.9258 -5.9258 -5.6247 -5.6247 -5.0073 -5.0073 -4.6784 -4.6784 -4.2884 -4.2884 -2.3073 -2.3073 -2.1430 -2.1430 -1.2622 -1.2622 -1.1051 -1.1051 -0.2208 -0.2208 2.2711 2.2711 2.4260 2.4260 2.7873 2.7873 3.1035 3.1035 3.2306 3.2306 3.2969 3.2969 3.4942 3.4942 3.7325 3.7325 3.8109 3.8109 4.0138 4.0138 4.2617 4.2617 4.4812 4.4812 4.7689 4.7689 4.9282 4.9282 5.0694 5.0694 5.1963 5.1963 5.4537 5.4537 5.5553 5.5553 5.7625 5.7625 6.1192 6.1192 6.7672 6.7672 6.9996 6.9996 7.4647 7.4647 7.4946 7.4946 7.6717 7.6717 8.1392 8.1392 8.3364 8.3364 8.5352 8.5352 k = 0.2209 0.1276-0.0000 ( 7741 PWs) bands (ev): -6.2579 -6.2579 -6.1255 -6.1255 -5.8852 -5.8852 -5.5865 -5.5865 -4.9759 -4.9759 -4.6581 -4.6581 -4.2510 -4.2510 -2.3174 -2.3174 -2.1502 -2.1502 -1.3285 -1.3285 -1.1601 -1.1601 -0.2817 -0.2817 2.1585 2.1585 2.3146 2.3146 2.6999 2.6999 3.0610 3.0610 3.1411 3.1411 3.2202 3.2202 3.4799 3.4799 3.6728 3.6728 3.7487 3.7487 3.9573 3.9573 4.2231 4.2231 4.4034 4.4034 4.6861 4.6861 4.8718 4.8718 5.0464 5.0464 5.1686 5.1686 5.4386 5.4386 5.5389 5.5389 5.6929 5.6929 6.0703 6.0703 6.7382 6.7382 7.0177 7.0177 7.4995 7.4995 7.5045 7.5045 7.7165 7.7165 8.1697 8.1697 8.3479 8.3479 8.5165 8.5165 k = 0.2326 0.1343-0.0000 ( 7727 PWs) bands (ev): -6.2119 -6.2119 -6.0798 -6.0798 -5.8427 -5.8427 -5.5468 -5.5468 -4.9437 -4.9437 -4.6377 -4.6377 -4.2117 -4.2117 -2.3307 -2.3307 -2.1595 -2.1595 -1.3969 -1.3969 -1.2189 -1.2189 -0.3434 -0.3434 2.0472 2.0472 2.2124 2.2124 2.6060 2.6060 3.0032 3.0032 3.0751 3.0751 3.1528 3.1528 3.4642 3.4642 3.6185 3.6185 3.6893 3.6893 3.9021 3.9021 4.1783 4.1783 4.3227 4.3227 4.6005 4.6005 4.8164 4.8164 5.0234 5.0234 5.1566 5.1566 5.4163 5.4163 5.5192 5.5192 5.6286 5.6286 6.0134 6.0134 6.7012 6.7012 7.0381 7.0381 7.5119 7.5119 7.5417 7.5417 7.7634 7.7634 8.1924 8.1924 8.3521 8.3521 8.4653 8.4653 k = 0.2442 0.1410-0.0000 ( 7725 PWs) bands (ev): -6.1638 -6.1638 -6.0321 -6.0321 -5.7986 -5.7986 -5.5057 -5.5057 -4.9110 -4.9110 -4.6175 -4.6175 -4.1707 -4.1707 -2.3473 -2.3473 -2.1713 -2.1713 -1.4670 -1.4670 -1.2814 -1.2814 -0.4056 -0.4056 1.9375 1.9375 2.1198 2.1198 2.5076 2.5076 2.9296 2.9296 3.0182 3.0182 3.1102 3.1102 3.4420 3.4420 3.5725 3.5725 3.6326 3.6326 3.8482 3.8482 4.1209 4.1209 4.2492 4.2492 4.5144 4.5144 4.7638 4.7638 4.9997 4.9997 5.1521 5.1521 5.3856 5.3856 5.4930 5.4930 5.5744 5.5744 5.9548 5.9548 6.6597 6.6597 7.0583 7.0583 7.5216 7.5216 7.5791 7.5791 7.8132 7.8132 8.2091 8.2091 8.3253 8.3253 8.4246 8.4246 k = 0.2558 0.1477-0.0000 ( 7719 PWs) bands (ev): -6.1137 -6.1137 -5.9824 -5.9824 -5.7528 -5.7528 -5.4633 -5.4633 -4.8779 -4.8779 -4.5976 -4.5976 -4.1280 -4.1280 -2.3675 -2.3675 -2.1863 -2.1863 -1.5377 -1.5377 -1.3472 -1.3472 -0.4686 -0.4686 1.8304 1.8304 2.0358 2.0358 2.4078 2.4078 2.8544 2.8544 2.9531 2.9531 3.0944 3.0944 3.4094 3.4094 3.5373 3.5373 3.5785 3.5785 3.7951 3.7951 4.0470 4.0470 4.1904 4.1904 4.4303 4.4303 4.7141 4.7141 4.9729 4.9729 5.1496 5.1496 5.3464 5.3464 5.4554 5.4554 5.5377 5.5377 5.9001 5.9001 6.6159 6.6159 7.0774 7.0774 7.5306 7.5306 7.6083 7.6083 7.8673 7.8673 8.2047 8.2047 8.2708 8.2708 8.4201 8.4201 k = 0.2674 0.1544-0.0000 ( 7721 PWs) bands (ev): -6.0617 -6.0617 -5.9308 -5.9308 -5.7055 -5.7055 -5.4198 -5.4198 -4.8449 -4.8449 -4.5783 -4.5783 -4.0837 -4.0837 -2.3912 -2.3912 -2.2051 -2.2051 -1.6081 -1.6081 -1.4160 -1.4160 -0.5324 -0.5324 1.7272 1.7272 1.9586 1.9586 2.3100 2.3100 2.7807 2.7807 2.8877 2.8877 3.0923 3.0923 3.3680 3.3680 3.5102 3.5102 3.5278 3.5278 3.7423 3.7423 3.9636 3.9636 4.1430 4.1430 4.3506 4.3506 4.6668 4.6668 4.9396 4.9396 5.1442 5.1442 5.3010 5.3010 5.4094 5.4094 5.5177 5.5177 5.8532 5.8532 6.5710 6.5710 7.0947 7.0947 7.5377 7.5377 7.6261 7.6261 7.9236 7.9236 8.1330 8.1330 8.2677 8.2677 8.4294 8.4294 k = 0.2791 0.1611-0.0000 ( 7710 PWs) bands (ev): -6.0079 -6.0079 -5.8775 -5.8775 -5.6568 -5.6568 -5.3753 -5.3753 -4.8120 -4.8120 -4.5598 -4.5598 -4.0379 -4.0379 -2.4183 -2.4183 -2.2288 -2.2288 -1.6772 -1.6772 -1.4873 -1.4873 -0.5970 -0.5970 1.6291 1.6291 1.8857 1.8857 2.2184 2.2184 2.7075 2.7075 2.8274 2.8274 3.0958 3.0958 3.3231 3.3231 3.4733 3.4733 3.4926 3.4926 3.6886 3.6886 3.8815 3.8815 4.0998 4.0998 4.2774 4.2774 4.6218 4.6218 4.8958 4.8958 5.1304 5.1304 5.2558 5.2558 5.3633 5.3633 5.5081 5.5081 5.8155 5.8155 6.5259 6.5259 7.1101 7.1101 7.5417 7.5417 7.6331 7.6331 7.9724 7.9724 8.0432 8.0432 8.2885 8.2885 8.4434 8.4434 k = 0.2907 0.1678-0.0000 ( 7724 PWs) bands (ev): -5.9523 -5.9523 -5.8225 -5.8225 -5.6068 -5.6068 -5.3300 -5.3300 -4.7795 -4.7795 -4.5424 -4.5424 -3.9906 -3.9906 -2.4486 -2.4486 -2.2581 -2.2581 -1.7438 -1.7438 -1.5607 -1.5607 -0.6626 -0.6626 1.5369 1.5369 1.8140 1.8140 2.1370 2.1370 2.6340 2.6340 2.7744 2.7744 3.0978 3.0978 3.2817 3.2817 3.4264 3.4264 3.4682 3.4682 3.6333 3.6333 3.8088 3.8088 4.0556 4.0556 4.2130 4.2130 4.5788 4.5788 4.8383 4.8383 5.1036 5.1036 5.2180 5.2180 5.3214 5.3214 5.5060 5.5060 5.7870 5.7870 6.4813 6.4813 7.1235 7.1235 7.5410 7.5410 7.6310 7.6310 7.9362 7.9362 8.0284 8.0284 8.3221 8.3221 8.4597 8.4597 k = 0.3023 0.1745-0.0000 ( 7734 PWs) bands (ev): -5.8950 -5.8950 -5.7659 -5.7659 -5.5557 -5.5557 -5.2842 -5.2842 -4.7480 -4.7480 -4.5264 -4.5264 -3.9420 -3.9420 -2.4817 -2.4817 -2.2938 -2.2938 -1.8067 -1.8067 -1.6355 -1.6355 -0.7291 -0.7291 1.4514 1.4514 1.7404 1.7404 2.0697 2.0697 2.5603 2.5603 2.7290 2.7290 3.0872 3.0872 3.2535 3.2535 3.3804 3.3804 3.4403 3.4403 3.5776 3.5776 3.7502 3.7502 4.0072 4.0072 4.1597 4.1597 4.5378 4.5378 4.7657 4.7657 5.0653 5.0653 5.1892 5.1892 5.2850 5.2850 5.5098 5.5098 5.7663 5.7663 6.4375 6.4375 7.1349 7.1349 7.5329 7.5329 7.6209 7.6209 7.8557 7.8557 8.0505 8.0505 8.3680 8.3680 8.4780 8.4780 k = 0.3140 0.1813-0.0000 ( 7744 PWs) bands (ev): -5.8362 -5.8362 -5.7078 -5.7078 -5.5035 -5.5035 -5.2380 -5.2380 -4.7175 -4.7175 -4.5121 -4.5121 -3.8923 -3.8923 -2.5174 -2.5174 -2.3364 -2.3364 -1.8653 -1.8653 -1.7111 -1.7111 -0.7966 -0.7966 1.3731 1.3731 1.6634 1.6634 2.0188 2.0188 2.4871 2.4871 2.6905 2.6905 3.0539 3.0539 3.2450 3.2450 3.3363 3.3363 3.4077 3.4077 3.5255 3.5255 3.7059 3.7059 3.9542 3.9542 4.1179 4.1179 4.4985 4.4985 4.6803 4.6803 5.0214 5.0214 5.1657 5.1657 5.2535 5.2535 5.5179 5.5179 5.7518 5.7518 6.3947 6.3947 7.1443 7.1443 7.5134 7.5134 7.6032 7.6032 7.7913 7.7913 8.0583 8.0583 8.4131 8.4131 8.5063 8.5063 k = 0.3256 0.1880-0.0000 ( 7752 PWs) bands (ev): -5.7760 -5.7760 -5.6484 -5.6484 -5.4506 -5.4506 -5.1917 -5.1917 -4.6887 -4.6887 -4.4998 -4.4998 -3.8417 -3.8417 -2.5550 -2.5550 -2.3859 -2.3859 -1.9192 -1.9192 -1.7869 -1.7869 -0.8650 -0.8650 1.3024 1.3024 1.5832 1.5832 1.9842 1.9842 2.4151 2.4151 2.6583 2.6583 3.0007 3.0007 3.2453 3.2453 3.2957 3.2957 3.3766 3.3766 3.4800 3.4800 3.6730 3.6730 3.8984 3.8984 4.0856 4.0856 4.4601 4.4601 4.5864 4.5864 4.9760 4.9760 5.1450 5.1450 5.2256 5.2256 5.5278 5.5278 5.7421 5.7421 6.3529 6.3529 7.1516 7.1516 7.4788 7.4788 7.5809 7.5809 7.7502 7.7502 8.0549 8.0549 8.4340 8.4340 8.5607 8.5607 k = 0.3372 0.1947-0.0000 ( 7754 PWs) bands (ev): -5.7146 -5.7146 -5.5879 -5.5879 -5.3972 -5.3972 -5.1457 -5.1457 -4.6619 -4.6619 -4.4898 -4.4898 -3.7903 -3.7903 -2.5940 -2.5940 -2.4413 -2.4413 -1.9691 -1.9691 -1.8617 -1.8617 -0.9342 -0.9342 1.2395 1.2395 1.5019 1.5019 1.9642 1.9642 2.3450 2.3450 2.6317 2.6317 2.9356 2.9356 3.2289 3.2289 3.2630 3.2630 3.3633 3.3633 3.4409 3.4409 3.6481 3.6481 3.8427 3.8427 4.0606 4.0606 4.4185 4.4185 4.4923 4.4923 4.9304 4.9304 5.1260 5.1260 5.2002 5.2002 5.5373 5.5373 5.7359 5.7359 6.3121 6.3121 7.1566 7.1566 7.4323 7.4323 7.5584 7.5584 7.7288 7.7288 8.0443 8.0443 8.4332 8.4332 8.6321 8.6321 k = 0.3488 0.2014-0.0000 ( 7750 PWs) bands (ev): -5.6520 -5.6520 -5.5263 -5.5263 -5.3433 -5.3433 -5.1002 -5.1002 -4.6375 -4.6375 -4.4825 -4.4825 -3.7386 -3.7386 -2.6340 -2.6340 -2.5011 -2.5011 -2.0166 -2.0166 -1.9341 -1.9341 -1.0039 -1.0039 1.1842 1.1842 1.4215 1.4215 1.9564 1.9564 2.2777 2.2777 2.6098 2.6098 2.8640 2.8640 3.1936 3.1936 3.2319 3.2319 3.3706 3.3706 3.4102 3.4102 3.6285 3.6285 3.7893 3.7893 4.0412 4.0412 4.3533 4.3533 4.4222 4.4222 4.8854 4.8854 5.1078 5.1078 5.1773 5.1773 5.5444 5.5444 5.7319 5.7319 6.2720 6.2720 7.1594 7.1594 7.3842 7.3842 7.5371 7.5371 7.7191 7.7191 8.0295 8.0295 8.4216 8.4216 8.7034 8.7034 k = 0.3605 0.2081-0.0000 ( 7746 PWs) bands (ev): -5.5885 -5.5885 -5.4639 -5.4639 -5.2895 -5.2895 -5.0556 -5.0556 -4.6162 -4.6162 -4.4782 -4.4782 -3.6868 -3.6868 -2.6747 -2.6747 -2.5634 -2.5634 -2.0650 -2.0650 -2.0008 -2.0008 -1.0738 -1.0738 1.1363 1.1363 1.3443 1.3443 1.9585 1.9585 2.2141 2.2141 2.5918 2.5918 2.7899 2.7899 3.1553 3.1553 3.1981 3.1981 3.3575 3.3575 3.4140 3.4140 3.6119 3.6119 3.7404 3.7404 4.0263 4.0263 4.2603 4.2603 4.3839 4.3839 4.8416 4.8416 5.0890 5.0890 5.1575 5.1575 5.5478 5.5478 5.7286 5.7286 6.2324 6.2324 7.1605 7.1605 7.3435 7.3435 7.5164 7.5164 7.7156 7.7156 8.0124 8.0124 8.4044 8.4044 8.7606 8.7606 k = 0.3721 0.2148-0.0000 ( 7752 PWs) bands (ev): -5.5243 -5.5243 -5.4009 -5.4009 -5.2359 -5.2359 -5.0124 -5.0124 -4.5984 -4.5984 -4.4772 -4.4772 -3.6354 -3.6354 -2.7164 -2.7164 -2.6253 -2.6253 -2.1194 -2.1194 -2.0569 -2.0569 -1.1434 -1.1434 1.0951 1.0951 1.2720 1.2720 1.9670 1.9670 2.1566 2.1566 2.5759 2.5759 2.7171 2.7171 3.1188 3.1188 3.1644 3.1644 3.3263 3.3263 3.4379 3.4379 3.5963 3.5963 3.6984 3.6984 4.0152 4.0152 4.1650 4.1650 4.3557 4.3557 4.7995 4.7995 5.0683 5.0683 5.1418 5.1418 5.5463 5.5463 5.7251 5.7251 6.1930 6.1930 7.1617 7.1617 7.3141 7.3141 7.4960 7.4960 7.7154 7.7154 7.9941 7.9941 8.3842 8.3842 8.7870 8.7870 k = 0.3837 0.2215-0.0000 ( 7750 PWs) bands (ev): -5.4598 -5.4598 -5.3376 -5.3376 -5.1830 -5.1830 -4.9709 -4.9709 -4.5848 -4.5848 -4.4799 -4.4799 -3.5849 -3.5849 -2.7605 -2.7605 -2.6831 -2.6831 -2.1800 -2.1800 -2.1019 -2.1019 -1.2123 -1.2123 1.0591 1.0591 1.2067 1.2067 1.9748 1.9748 2.1114 2.1114 2.5571 2.5571 2.6524 2.6524 3.0854 3.0854 3.1320 3.1320 3.2938 3.2938 3.4560 3.4560 3.5803 3.5803 3.6659 3.6659 4.0071 4.0071 4.0784 4.0784 4.3326 4.3326 4.7596 4.7596 5.0447 5.0447 5.1305 5.1305 5.5387 5.5387 5.7210 5.7210 6.1539 6.1539 7.1666 7.1666 7.2959 7.2959 7.4761 7.4761 7.7172 7.7172 7.9753 7.9753 8.3625 8.3625 8.7700 8.7700 k = 0.3953 0.2283-0.0000 ( 7746 PWs) bands (ev): -5.3952 -5.3952 -5.2743 -5.2743 -5.1310 -5.1310 -4.9317 -4.9317 -4.5758 -4.5758 -4.4864 -4.4864 -3.5358 -3.5358 -2.8093 -2.8093 -2.7324 -2.7324 -2.2416 -2.2416 -2.1404 -2.1404 -1.2797 -1.2797 1.0261 1.0261 1.1510 1.1510 1.9659 1.9659 2.0937 2.0937 2.5225 2.5225 2.6102 2.6102 3.0553 3.0553 3.1011 3.1011 3.2619 3.2619 3.4575 3.4575 3.5657 3.5657 3.6418 3.6418 3.9931 3.9931 4.0173 4.0173 4.3136 4.3136 4.7223 4.7223 5.0184 5.0184 5.1233 5.1233 5.5241 5.5241 5.7167 5.7167 6.1153 6.1153 7.1792 7.1792 7.2866 7.2866 7.4567 7.4567 7.7202 7.7202 7.9566 7.9566 8.3405 8.3405 8.7132 8.7132 k = 0.4070 0.2350-0.0000 ( 7742 PWs) bands (ev): -5.3310 -5.3310 -5.2112 -5.2112 -5.0807 -5.0807 -4.8951 -4.8951 -4.5721 -4.5721 -4.4970 -4.4970 -3.4887 -3.4887 -2.8622 -2.8622 -2.7720 -2.7720 -2.3001 -2.3001 -2.1756 -2.1756 -1.3449 -1.3449 0.9927 0.9927 1.1081 1.1081 1.9335 1.9335 2.1099 2.1099 2.4691 2.4691 2.5939 2.5939 3.0286 3.0286 3.0718 3.0718 3.2311 3.2311 3.4374 3.4374 3.5551 3.5551 3.6191 3.6191 3.9536 3.9536 4.0095 4.0095 4.2991 4.2991 4.6881 4.6881 4.9896 4.9896 5.1199 5.1199 5.5018 5.5018 5.7130 5.7130 6.0782 6.0782 7.2019 7.2019 7.2838 7.2838 7.4380 7.4380 7.7241 7.7241 7.9383 7.9383 8.3188 8.3188 8.6310 8.6310 k = 0.4186 0.2417-0.0000 ( 7734 PWs) bands (ev): -5.2677 -5.2677 -5.1488 -5.1488 -5.0323 -5.0323 -4.8618 -4.8618 -4.5740 -4.5740 -4.5119 -4.5119 -3.4444 -3.4444 -2.9153 -2.9153 -2.8048 -2.8048 -2.3523 -2.3523 -2.2091 -2.2091 -1.4068 -1.4068 0.9570 0.9570 1.0798 1.0798 1.8915 1.8915 2.1453 2.1453 2.4119 2.4119 2.5894 2.5894 3.0051 3.0051 3.0441 3.0441 3.2016 3.2016 3.4000 3.4000 3.5455 3.5455 3.5924 3.5924 3.9333 3.9333 4.0138 4.0138 4.2897 4.2897 4.6575 4.6575 4.9585 4.9585 5.1196 5.1196 5.4720 5.4720 5.7108 5.7108 6.0432 6.0432 7.2337 7.2337 7.2876 7.2876 7.4203 7.4203 7.7286 7.7286 7.9207 7.9207 8.2976 8.2976 8.5358 8.5358 k = 0.4302 0.2484-0.0000 ( 7750 PWs) bands (ev): -5.2060 -5.2060 -5.0876 -5.0876 -4.9865 -4.9865 -4.8321 -4.8321 -4.5818 -4.5818 -4.5312 -4.5312 -3.4036 -3.4036 -2.9645 -2.9645 -2.8340 -2.8340 -2.3960 -2.3960 -2.2415 -2.2415 -1.4643 -1.4643 0.9204 0.9204 1.0639 1.0639 1.8490 1.8490 2.1902 2.1902 2.3585 2.3585 2.5891 2.5891 2.9847 2.9847 3.0182 3.0182 3.1733 3.1733 3.3512 3.3512 3.5300 3.5300 3.5686 3.5686 3.9318 3.9318 4.0236 4.0236 4.2865 4.2865 4.6310 4.6310 4.9250 4.9250 5.1224 5.1224 5.4361 5.4361 5.7102 5.7102 6.0112 6.0112 7.2635 7.2635 7.3071 7.3071 7.4042 7.4042 7.7335 7.7335 7.9042 7.9042 8.2758 8.2758 8.4360 8.4360 k = 0.4419 0.2551-0.0000 ( 7746 PWs) bands (ev): -5.1469 -5.1469 -5.0279 -5.0279 -4.9437 -4.9437 -4.8065 -4.8065 -4.5956 -4.5956 -4.5547 -4.5547 -3.3675 -3.3675 -3.0064 -3.0064 -2.8624 -2.8624 -2.4287 -2.4287 -2.2731 -2.2731 -1.5164 -1.5164 0.8861 0.8861 1.0566 1.0566 1.8095 1.8095 2.2400 2.2400 2.3123 2.3123 2.5897 2.5897 2.9671 2.9671 2.9949 2.9949 3.1452 3.1452 3.2968 3.2968 3.5067 3.5067 3.5556 3.5556 3.9382 3.9382 4.0374 4.0374 4.2903 4.2903 4.6095 4.6095 4.8891 4.8891 5.1282 5.1282 5.3962 5.3962 5.7113 5.7113 5.9828 5.9828 7.2770 7.2770 7.3512 7.3512 7.3935 7.3935 7.7388 7.7388 7.8889 7.8889 8.2467 8.2467 8.3426 8.3426 k = 0.4535 0.2618-0.0000 ( 7748 PWs) bands (ev): -5.0919 -5.0919 -4.9706 -4.9706 -4.9043 -4.9043 -4.7852 -4.7852 -4.6150 -4.6150 -4.5821 -4.5821 -3.3374 -3.3374 -3.0376 -3.0376 -2.8918 -2.8918 -2.4491 -2.4491 -2.3041 -2.3041 -1.5615 -1.5615 0.8563 0.8563 1.0547 1.0547 1.7746 1.7746 2.2645 2.2645 2.3024 2.3024 2.5887 2.5887 2.9523 2.9523 2.9755 2.9755 3.1150 3.1150 3.2446 3.2446 3.4839 3.4839 3.5486 3.5486 3.9457 3.9457 4.0525 4.0525 4.3017 4.3017 4.5940 4.5940 4.8513 4.8513 5.1371 5.1371 5.3548 5.3548 5.7137 5.7137 5.9586 5.9586 7.2849 7.2849 7.3651 7.3651 7.4305 7.4305 7.7441 7.7441 7.8751 7.8751 8.1837 8.1837 8.2846 8.2846 k = 0.4651 0.2685-0.0000 ( 7746 PWs) bands (ev): -5.0432 -5.0432 -4.9168 -4.9168 -4.8684 -4.8684 -4.7683 -4.7683 -4.6392 -4.6392 -4.6130 -4.6130 -3.3151 -3.3151 -3.0552 -3.0552 -2.9232 -2.9232 -2.4569 -2.4569 -2.3343 -2.3343 -1.5984 -1.5984 0.8323 0.8323 1.0558 1.0558 1.7457 1.7457 2.2364 2.2364 2.3551 2.3551 2.5831 2.5831 2.9403 2.9403 2.9614 2.9614 3.0802 3.0802 3.2031 3.2031 3.4658 3.4658 3.5442 3.5442 3.9517 3.9517 4.0653 4.0653 4.3186 4.3186 4.5855 4.5855 4.8126 4.8126 5.1494 5.1494 5.3145 5.3145 5.7166 5.7166 5.9389 5.9389 7.2924 7.2924 7.3538 7.3538 7.5034 7.5034 7.7492 7.7492 7.8634 7.8634 8.0890 8.0890 8.2622 8.2622 k = 0.4767 0.2752-0.0000 ( 7742 PWs) bands (ev): -5.0038 -5.0038 -4.8686 -4.8686 -4.8359 -4.8359 -4.7553 -4.7553 -4.6661 -4.6661 -4.6462 -4.6462 -3.3014 -3.3014 -3.0572 -3.0572 -2.9558 -2.9558 -2.4533 -2.4533 -2.3633 -2.3633 -1.6258 -1.6258 0.8147 0.8147 1.0580 1.0580 1.7240 1.7240 2.2139 2.2139 2.4102 2.4102 2.5697 2.5697 2.9324 2.9324 2.9536 2.9536 3.0422 3.0422 3.1764 3.1764 3.4530 3.4530 3.5411 3.5411 3.9560 3.9560 4.0743 4.0743 4.3367 4.3367 4.5847 4.5847 4.7758 4.7758 5.1650 5.1650 5.2773 5.2773 5.7194 5.7194 5.9243 5.9243 7.3004 7.3004 7.3415 7.3415 7.5849 7.5849 7.7535 7.7535 7.8541 7.8541 7.9889 7.9889 8.2510 8.2510 k = 0.4884 0.2820-0.0000 ( 7752 PWs) bands (ev): -4.9777 -4.9777 -4.8315 -4.8315 -4.8082 -4.8082 -4.7443 -4.7443 -4.6911 -4.6911 -4.6788 -4.6788 -3.2951 -3.2951 -3.0456 -3.0456 -2.9874 -2.9874 -2.4413 -2.4413 -2.3898 -2.3898 -1.6427 -1.6427 0.8041 0.8041 1.0600 1.0600 1.7104 1.7104 2.2001 2.2001 2.4617 2.4617 2.5462 2.5462 2.9288 2.9288 2.9532 2.9532 3.0088 3.0088 3.1624 3.1624 3.4455 3.4455 3.5394 3.5394 3.9584 3.9584 4.0793 4.0793 4.3504 4.3504 4.5896 4.5896 4.7467 4.7467 5.1837 5.1837 5.2451 5.2451 5.7215 5.7215 5.9152 5.9152 7.3093 7.3093 7.3298 7.3298 7.6690 7.6690 7.7558 7.7558 7.8479 7.8479 7.8939 7.8939 8.2451 8.2451 k = 0.5000 0.2887-0.0000 ( 7752 PWs) bands (ev): -4.9686 -4.9686 -4.8164 -4.8164 -4.7950 -4.7950 -4.7369 -4.7369 -4.7003 -4.7003 -4.6996 -4.6996 -3.2934 -3.2934 -3.0313 -3.0313 -3.0080 -3.0080 -2.4301 -2.4301 -2.4056 -2.4056 -1.6485 -1.6485 0.8005 0.8005 1.0608 1.0608 1.7058 1.7058 2.1955 2.1955 2.4973 2.4973 2.5204 2.5204 2.9279 2.9279 2.9564 2.9564 2.9931 2.9931 3.1581 3.1581 3.4430 3.4430 3.5388 3.5388 3.9593 3.9593 4.0808 4.0808 4.3554 4.3554 4.5931 4.5931 4.7348 4.7348 5.1976 5.1976 5.2265 5.2265 5.7223 5.7223 5.9121 5.9121 7.3191 7.3191 7.3191 7.3191 7.7281 7.7281 7.7514 7.7514 7.8358 7.8358 7.8465 7.8465 8.2432 8.2432 k = 0.5000 0.2887-0.0000 ( 7752 PWs) bands (ev): -4.9686 -4.9686 -4.8164 -4.8164 -4.7950 -4.7950 -4.7369 -4.7369 -4.7003 -4.7003 -4.6996 -4.6996 -3.2934 -3.2934 -3.0313 -3.0313 -3.0080 -3.0080 -2.4301 -2.4301 -2.4056 -2.4056 -1.6485 -1.6485 0.8005 0.8005 1.0608 1.0608 1.7058 1.7058 2.1955 2.1955 2.4973 2.4973 2.5204 2.5204 2.9279 2.9279 2.9564 2.9564 2.9931 2.9931 3.1581 3.1581 3.4430 3.4430 3.5388 3.5388 3.9593 3.9593 4.0808 4.0808 4.3554 4.3554 4.5931 4.5931 4.7348 4.7348 5.1976 5.1976 5.2265 5.2265 5.7223 5.7223 5.9121 5.9121 7.3191 7.3191 7.3191 7.3191 7.7281 7.7281 7.7514 7.7514 7.8358 7.8358 7.8465 7.8465 8.2432 8.2432 k = 0.4933 0.3002-0.0000 ( 7742 PWs) bands (ev): -4.9677 -4.9677 -4.8156 -4.8156 -4.7943 -4.7943 -4.7361 -4.7361 -4.6995 -4.6995 -4.6988 -4.6988 -3.2922 -3.2922 -3.0311 -3.0311 -3.0081 -3.0081 -2.4316 -2.4316 -2.4072 -2.4072 -1.6499 -1.6499 0.8016 0.8016 1.0620 1.0620 1.7060 1.7060 2.1964 2.1964 2.4964 2.4964 2.5161 2.5161 2.9066 2.9066 2.9328 2.9328 3.0068 3.0068 3.1862 3.1862 3.4459 3.4459 3.5190 3.5190 3.9021 3.9021 4.1375 4.1375 4.3686 4.3686 4.5925 4.5925 4.7342 4.7342 5.1782 5.1782 5.2091 5.2091 5.7424 5.7424 5.9321 5.9321 7.2827 7.2827 7.3154 7.3154 7.7272 7.7272 7.7652 7.7652 7.8274 7.8274 7.8903 7.8903 8.2522 8.2522 k = 0.4867 0.3118-0.0000 ( 7736 PWs) bands (ev): -4.9650 -4.9650 -4.8132 -4.8132 -4.7919 -4.7919 -4.7338 -4.7338 -4.6972 -4.6972 -4.6962 -4.6962 -3.2887 -3.2887 -3.0303 -3.0303 -3.0083 -3.0083 -2.4359 -2.4359 -2.4120 -2.4120 -1.6542 -1.6542 0.8048 0.8048 1.0654 1.0654 1.7066 1.7066 2.1990 2.1990 2.4888 2.4888 2.5084 2.5084 2.8361 2.8361 2.9296 2.9296 3.0076 3.0076 3.2499 3.2499 3.4318 3.4318 3.4863 3.4863 3.8141 3.8141 4.2238 4.2238 4.3982 4.3982 4.5911 4.5911 4.7324 4.7324 5.1319 5.1319 5.1693 5.1693 5.7904 5.7904 5.9820 5.9820 7.2280 7.2280 7.2738 7.2738 7.7288 7.7288 7.8045 7.8045 7.8284 7.8284 7.9710 7.9710 8.2793 8.2793 k = 0.4800 0.3233-0.0000 ( 7744 PWs) bands (ev): -4.9606 -4.9606 -4.8091 -4.8091 -4.7881 -4.7881 -4.7301 -4.7301 -4.6933 -4.6933 -4.6920 -4.6920 -3.2828 -3.2828 -3.0291 -3.0291 -3.0086 -3.0086 -2.4432 -2.4432 -2.4201 -2.4201 -1.6614 -1.6614 0.8102 0.8102 1.0712 1.0712 1.7076 1.7076 2.2031 2.2031 2.4653 2.4653 2.5064 2.5064 2.7604 2.7604 2.9258 2.9258 2.9996 2.9996 3.3118 3.3118 3.3696 3.3696 3.4857 3.4857 3.7383 3.7383 4.2967 4.2967 4.4216 4.4216 4.5905 4.5905 4.7314 4.7314 5.0827 5.0827 5.1334 5.1334 5.8434 5.8434 6.0403 6.0403 7.1764 7.1764 7.2215 7.2215 7.7326 7.7326 7.8258 7.8258 7.8646 7.8646 8.0611 8.0611 8.3252 8.3252 k = 0.4733 0.3349-0.0000 ( 7756 PWs) bands (ev): -4.9544 -4.9544 -4.8036 -4.8036 -4.7827 -4.7827 -4.7250 -4.7250 -4.6878 -4.6878 -4.6861 -4.6861 -3.2746 -3.2746 -3.0273 -3.0273 -3.0092 -3.0092 -2.4533 -2.4533 -2.4314 -2.4314 -1.6715 -1.6715 0.8178 0.8178 1.0792 1.0792 1.7092 1.7092 2.2082 2.2082 2.4304 2.4304 2.5046 2.5046 2.6886 2.6886 2.9169 2.9169 2.9908 2.9908 3.2495 3.2495 3.3914 3.3914 3.4868 3.4868 3.6999 3.6999 4.3290 4.3290 4.4218 4.4218 4.5934 4.5934 4.7350 4.7350 5.0559 5.0559 5.1238 5.1238 5.8823 5.8823 6.0856 6.0856 7.1428 7.1428 7.1856 7.1856 7.7380 7.7380 7.8302 7.8302 7.9165 7.9165 8.1413 8.1413 8.3887 8.3887 k = 0.4667 0.3464-0.0000 ( 7756 PWs) bands (ev): -4.9465 -4.9465 -4.7964 -4.7964 -4.7759 -4.7759 -4.7186 -4.7186 -4.6807 -4.6807 -4.6785 -4.6785 -3.2642 -3.2642 -3.0250 -3.0250 -3.0100 -3.0100 -2.4663 -2.4663 -2.4460 -2.4460 -1.6843 -1.6843 0.8274 0.8274 1.0895 1.0895 1.7114 1.7114 2.2133 2.2133 2.3878 2.3878 2.4942 2.4942 2.6299 2.6299 2.8976 2.8976 2.9859 2.9859 3.1492 3.1492 3.3654 3.3654 3.5345 3.5345 3.7045 3.7045 4.3022 4.3022 4.3899 4.3899 4.6091 4.6091 4.7404 4.7404 5.0708 5.0708 5.1487 5.1487 5.8948 5.8948 6.1003 6.1003 7.1394 7.1394 7.1829 7.1829 7.7447 7.7447 7.8346 7.8346 7.9557 7.9557 8.1925 8.1925 8.4660 8.4660 k = 0.4600 0.3580-0.0000 ( 7752 PWs) bands (ev): -4.9369 -4.9369 -4.7878 -4.7878 -4.7676 -4.7676 -4.7109 -4.7109 -4.6721 -4.6721 -4.6693 -4.6693 -3.2516 -3.2516 -3.0221 -3.0221 -3.0110 -3.0110 -2.4821 -2.4821 -2.4639 -2.4639 -1.6998 -1.6998 0.8391 0.8391 1.1020 1.1020 1.7143 1.7143 2.2167 2.2167 2.3404 2.3404 2.4631 2.4631 2.5978 2.5978 2.8608 2.8608 2.9863 2.9863 3.0514 3.0514 3.2992 3.2992 3.6089 3.6089 3.7288 3.7288 4.2364 4.2364 4.3231 4.3231 4.6363 4.6363 4.7425 4.7425 5.1271 5.1271 5.2038 5.2038 5.8763 5.8763 6.0759 6.0759 7.1736 7.1736 7.2183 7.2183 7.7526 7.7526 7.8387 7.8387 7.9761 7.9761 8.1963 8.1963 8.5529 8.5529 k = 0.4533 0.3695-0.0000 ( 7754 PWs) bands (ev): -4.9257 -4.9257 -4.7778 -4.7778 -4.7580 -4.7580 -4.7022 -4.7022 -4.6617 -4.6617 -4.6585 -4.6585 -3.2370 -3.2370 -3.0187 -3.0187 -3.0122 -3.0122 -2.5008 -2.5008 -2.4849 -2.4849 -1.7180 -1.7180 0.8529 0.8529 1.1168 1.1168 1.7182 1.7182 2.2146 2.2146 2.2908 2.2908 2.4144 2.4144 2.5917 2.5917 2.8004 2.8004 2.9624 2.9624 2.9919 2.9919 3.2358 3.2358 3.6806 3.6806 3.7502 3.7502 4.1580 4.1580 4.2405 4.2405 4.6633 4.6633 4.7431 4.7431 5.2089 5.2089 5.2801 5.2801 5.8303 5.8303 6.0155 6.0155 7.2427 7.2427 7.2870 7.2870 7.7613 7.7613 7.8405 7.8405 7.9770 7.9770 8.1546 8.1546 8.6475 8.6475 k = 0.4467 0.3811-0.0000 ( 7760 PWs) bands (ev): -4.9129 -4.9129 -4.7665 -4.7665 -4.7471 -4.7471 -4.6926 -4.6926 -4.6498 -4.6498 -4.6463 -4.6463 -3.2206 -3.2206 -3.0154 -3.0154 -3.0130 -3.0130 -2.5221 -2.5221 -2.5092 -2.5092 -1.7388 -1.7388 0.8686 0.8686 1.1337 1.1337 1.7231 1.7231 2.1992 2.1992 2.2431 2.2431 2.3653 2.3653 2.5981 2.5981 2.7191 2.7191 2.8825 2.8825 2.9994 2.9994 3.1895 3.1895 3.7320 3.7320 3.7499 3.7499 4.0881 4.0881 4.1700 4.1700 4.6860 4.6860 4.7443 4.7443 5.2993 5.2993 5.3692 5.3692 5.7659 5.7659 5.9295 5.9295 7.3359 7.3359 7.3795 7.3795 7.7696 7.7696 7.8355 7.8355 7.9622 7.9622 8.0912 8.0912 8.7472 8.7472 k = 0.4400 0.3926-0.0000 ( 7762 PWs) bands (ev): -4.8986 -4.8986 -4.7539 -4.7539 -4.7350 -4.7350 -4.6821 -4.6821 -4.6364 -4.6364 -4.6326 -4.6326 -3.2027 -3.2027 -3.0165 -3.0165 -3.0088 -3.0088 -2.5461 -2.5461 -2.5366 -2.5366 -1.7621 -1.7621 0.8863 0.8863 1.1527 1.1527 1.7293 1.7293 2.1634 2.1634 2.1991 2.1991 2.3259 2.3259 2.6096 2.6096 2.6302 2.6302 2.8046 2.8046 3.0091 3.0091 3.1629 3.1629 3.6968 3.6968 3.7503 3.7503 4.0471 4.0471 4.1441 4.1441 4.7041 4.7041 4.7464 4.7464 5.3816 5.3816 5.4646 5.4646 5.6975 5.6975 5.8296 5.8296 7.4402 7.4402 7.4840 7.4840 7.7734 7.7734 7.8149 7.8149 7.9392 7.9392 8.0391 8.0391 8.8483 8.8483 k = 0.4333 0.4041-0.0000 ( 7770 PWs) bands (ev): -4.8828 -4.8828 -4.7401 -4.7401 -4.7218 -4.7218 -4.6710 -4.6710 -4.6215 -4.6215 -4.6175 -4.6175 -3.1838 -3.1838 -3.0190 -3.0190 -3.0025 -3.0025 -2.5726 -2.5726 -2.5669 -2.5669 -1.7878 -1.7878 0.9059 0.9059 1.1737 1.1737 1.7369 1.7369 2.1165 2.1165 2.1517 2.1517 2.2913 2.2913 2.5427 2.5427 2.6257 2.6257 2.7312 2.7312 3.0201 3.0201 3.1526 3.1526 3.6115 3.6115 3.6985 3.6985 4.0525 4.0525 4.1672 4.1672 4.7180 4.7180 4.7486 4.7486 5.4267 5.4267 5.5554 5.5554 5.6527 5.6527 5.7326 5.7326 7.5368 7.5368 7.5840 7.5840 7.7572 7.7572 7.7849 7.7849 7.9254 7.9254 8.0281 8.0281 8.9453 8.9453 k = 0.4267 0.4157-0.0000 ( 7768 PWs) bands (ev): -4.8657 -4.8657 -4.7254 -4.7254 -4.7076 -4.7076 -4.6593 -4.6593 -4.6052 -4.6052 -4.6013 -4.6013 -3.1643 -3.1643 -3.0221 -3.0221 -2.9944 -2.9944 -2.6016 -2.6016 -2.5997 -2.5997 -1.8160 -1.8160 0.9272 0.9272 1.1967 1.1967 1.7461 1.7461 2.0678 2.0678 2.1005 2.1005 2.2467 2.2467 2.4654 2.4654 2.6391 2.6391 2.6747 2.6747 3.0317 3.0317 3.1536 3.1536 3.5057 3.5057 3.6055 3.6055 4.0870 4.0870 4.2191 4.2191 4.7275 4.7275 4.7495 4.7495 5.4012 5.4012 5.5624 5.5624 5.6741 5.6741 5.7125 5.7125 7.5744 7.5744 7.6604 7.6604 7.7102 7.7102 7.7966 7.7966 7.9513 7.9513 8.0598 8.0598 9.0281 9.0281 k = 0.4200 0.4272-0.0000 ( 7762 PWs) bands (ev): -4.8473 -4.8473 -4.7097 -4.7097 -4.6926 -4.6926 -4.6472 -4.6472 -4.5878 -4.5878 -4.5839 -4.5839 -3.1451 -3.1451 -3.0258 -3.0258 -2.9841 -2.9841 -2.6361 -2.6361 -2.6314 -2.6314 -1.8465 -1.8465 0.9503 0.9503 1.2214 1.2214 1.7568 1.7568 2.0197 2.0197 2.0496 2.0496 2.1846 2.1846 2.3939 2.3939 2.6257 2.6257 2.6696 2.6696 3.0427 3.0427 3.1614 3.1614 3.3931 3.3931 3.4983 3.4983 4.1282 4.1282 4.2845 4.2845 4.7315 4.7315 4.7479 4.7479 5.3360 5.3360 5.4689 5.4689 5.7377 5.7377 5.7828 5.7828 7.5283 7.5283 7.6389 7.6389 7.7385 7.7385 7.8402 7.8402 8.0270 8.0270 8.1295 8.1295 9.0787 9.0787 k = 0.4133 0.4388-0.0000 ( 7756 PWs) bands (ev): -4.8278 -4.8278 -4.6933 -4.6933 -4.6768 -4.6768 -4.6348 -4.6348 -4.5695 -4.5695 -4.5658 -4.5658 -3.1272 -3.1272 -3.0301 -3.0301 -2.9708 -2.9708 -2.6740 -2.6740 -2.6634 -2.6634 -1.8794 -1.8794 0.9749 0.9749 1.2477 1.2477 1.7693 1.7693 1.9725 1.9725 2.0020 2.0020 2.1106 2.1106 2.3216 2.3216 2.6157 2.6157 2.6872 2.6872 3.0502 3.0502 3.1687 3.1687 3.2850 3.2850 3.3915 3.3915 4.1657 4.1657 4.3539 4.3539 4.7287 4.7287 4.7425 4.7425 5.2673 5.2673 5.3709 5.3709 5.7990 5.7990 5.8597 5.8597 7.4585 7.4585 7.5821 7.5821 7.7834 7.7834 7.8781 7.8781 8.1358 8.1358 8.2308 8.2308 9.0835 9.0835 k = 0.4067 0.4503-0.0000 ( 7760 PWs) bands (ev): -4.8073 -4.8073 -4.6763 -4.6763 -4.6604 -4.6604 -4.6223 -4.6223 -4.5505 -4.5505 -4.5469 -4.5469 -3.1114 -3.1114 -3.0349 -3.0349 -2.9543 -2.9543 -2.7138 -2.7138 -2.6960 -2.6960 -1.9145 -1.9145 1.0010 1.0010 1.2752 1.2752 1.7832 1.7832 1.9261 1.9261 1.9582 1.9582 2.0345 2.0345 2.2481 2.2481 2.6232 2.6232 2.7055 2.7055 3.0411 3.0411 3.1464 3.1464 3.2133 3.2133 3.3036 3.3036 4.1928 4.1928 4.4194 4.4194 4.7194 4.7194 4.7331 4.7331 5.2093 5.2093 5.2853 5.2853 5.8503 5.8503 5.9225 5.9225 7.3942 7.3942 7.5301 7.5301 7.8167 7.8167 7.9076 7.9076 8.2538 8.2538 8.3503 8.3503 9.0543 9.0543 k = 0.4000 0.4619-0.0000 ( 7764 PWs) bands (ev): -4.7860 -4.7860 -4.6590 -4.6590 -4.6435 -4.6435 -4.6100 -4.6100 -4.5312 -4.5312 -4.5277 -4.5277 -3.0985 -3.0985 -3.0403 -3.0403 -2.9350 -2.9350 -2.7550 -2.7550 -2.7276 -2.7276 -1.9519 -1.9519 1.0283 1.0283 1.3034 1.3034 1.7974 1.7974 1.8810 1.8810 1.9143 1.9143 1.9674 1.9674 2.1767 2.1767 2.6414 2.6414 2.7203 2.7203 2.9804 2.9804 3.0941 3.0941 3.1789 3.1789 3.2756 3.2756 4.2030 4.2030 4.4670 4.4670 4.7098 4.7098 4.7243 4.7243 5.1680 5.1680 5.2199 5.2199 5.8866 5.8866 5.9637 5.9637 7.3470 7.3470 7.4888 7.4888 7.8444 7.8444 7.9326 7.9326 8.3621 8.3621 8.4752 8.4752 9.0171 9.0171 k = 0.3933 0.4734-0.0000 ( 7766 PWs) bands (ev): -4.7639 -4.7639 -4.6415 -4.6415 -4.6264 -4.6264 -4.5980 -4.5980 -4.5118 -4.5118 -4.5085 -4.5085 -3.0885 -3.0885 -3.0461 -3.0461 -2.9155 -2.9155 -2.7969 -2.7969 -2.7552 -2.7552 -1.9915 -1.9915 1.0568 1.0568 1.3314 1.3314 1.8044 1.8044 1.8393 1.8393 1.8664 1.8664 1.9220 1.9220 2.1107 2.1107 2.6619 2.6619 2.7272 2.7272 2.8831 2.8831 3.0335 3.0335 3.1704 3.1704 3.2923 3.2923 4.1898 4.1898 4.4720 4.4720 4.7123 4.7123 4.7329 4.7329 5.1441 5.1441 5.1780 5.1780 5.9046 5.9046 5.9787 5.9787 7.3231 7.3231 7.4620 7.4620 7.8699 7.8699 7.9554 7.9554 8.4392 8.4392 8.5947 8.5947 9.0005 9.0005 k = 0.3867 0.4850-0.0000 ( 7778 PWs) bands (ev): -4.7414 -4.7414 -4.6240 -4.6240 -4.6093 -4.6093 -4.5866 -4.5866 -4.4930 -4.4930 -4.4897 -4.4897 -3.0811 -3.0811 -3.0522 -3.0522 -2.9028 -2.9028 -2.8388 -2.8388 -2.7715 -2.7715 -2.0334 -2.0334 1.0862 1.0862 1.3579 1.3579 1.7769 1.7769 1.7944 1.7944 1.8540 1.8540 1.8958 1.8958 2.0529 2.0529 2.6634 2.6634 2.7232 2.7232 2.7901 2.7901 2.9837 2.9837 3.1831 3.1831 3.3212 3.3212 4.1512 4.1512 4.4252 4.4252 4.7258 4.7258 4.7770 4.7770 5.1349 5.1349 5.1578 5.1578 5.9027 5.9027 5.9658 5.9658 7.3249 7.3249 7.4518 7.4518 7.8950 7.8950 7.9774 7.9774 8.4620 8.4620 8.6956 8.6956 9.0307 9.0307 k = 0.3800 0.4965-0.0000 ( 7758 PWs) bands (ev): -4.7185 -4.7185 -4.6068 -4.6068 -4.5923 -4.5923 -4.5762 -4.5762 -4.4750 -4.4750 -4.4717 -4.4717 -3.0758 -3.0758 -3.0585 -3.0585 -2.9068 -2.9068 -2.8799 -2.8799 -2.7666 -2.7666 -2.0774 -2.0774 1.1161 1.1161 1.3803 1.3803 1.7318 1.7318 1.7491 1.7491 1.8613 1.8613 1.8874 1.8874 2.0051 2.0051 2.6171 2.6171 2.6602 2.6602 2.7780 2.7780 2.9650 2.9650 3.2029 3.2029 3.3551 3.3551 4.0910 4.0910 4.3465 4.3465 4.7518 4.7518 4.8411 4.8411 5.1372 5.1372 5.1542 5.1542 5.8810 5.8810 5.9276 5.9276 7.3504 7.3504 7.4583 7.4583 7.9206 7.9206 7.9993 7.9993 8.4297 8.4297 8.7572 8.7572 9.1097 9.1097 k = 0.3733 0.5081-0.0000 ( 7763 PWs) bands (ev): -4.6955 -4.6955 -4.5901 -4.5901 -4.5759 -4.5759 -4.5672 -4.5672 -4.4585 -4.4585 -4.4551 -4.4551 -3.0722 -3.0722 -3.0645 -3.0645 -2.9265 -2.9265 -2.9193 -2.9193 -2.7410 -2.7410 -2.1237 -2.1237 1.1463 1.1463 1.3945 1.3945 1.6931 1.6931 1.7096 1.7096 1.8560 1.8560 1.9023 1.9023 1.9693 1.9693 2.5376 2.5376 2.5695 2.5695 2.8123 2.8123 2.9718 2.9718 3.2252 3.2252 3.3921 3.3921 4.0169 4.0169 4.2532 4.2532 4.7884 4.7884 4.9112 4.9112 5.1487 5.1487 5.1618 5.1618 5.8399 5.8399 5.8704 5.8704 7.3950 7.3950 7.4801 7.4801 7.9472 7.9472 8.0214 8.0214 8.3630 8.3630 8.7597 8.7597 9.2175 9.2175 k = 0.3667 0.5196-0.0000 ( 7771 PWs) bands (ev): -4.6728 -4.6728 -4.5744 -4.5744 -4.5607 -4.5607 -4.5596 -4.5596 -4.4439 -4.4439 -4.4404 -4.4404 -3.0721 -3.0721 -3.0677 -3.0677 -2.9562 -2.9562 -2.9525 -2.9525 -2.7034 -2.7034 -2.1720 -2.1720 1.1764 1.1764 1.3961 1.3961 1.6601 1.6601 1.6860 1.6860 1.8505 1.8505 1.9142 1.9142 1.9547 1.9547 2.4479 2.4479 2.4811 2.4811 2.8541 2.8541 2.9923 2.9923 3.2473 3.2473 3.4309 3.4309 3.9362 3.9362 4.1547 4.1547 4.8324 4.8324 4.9804 4.9804 5.1683 5.1683 5.1770 5.1770 5.7782 5.7782 5.8044 5.8044 7.4520 7.4520 7.5149 7.5149 7.9750 7.9750 8.0441 8.0441 8.2803 8.2803 8.7089 8.7089 9.3367 9.3367 k = 0.3600 0.5312-0.0000 ( 7779 PWs) bands (ev): -4.6505 -4.6505 -4.5601 -4.5601 -4.5553 -4.5553 -4.5456 -4.5456 -4.4318 -4.4318 -4.4283 -4.4283 -3.0770 -3.0770 -3.0660 -3.0660 -2.9886 -2.9886 -2.9796 -2.9796 -2.6591 -2.6591 -2.2225 -2.2225 1.2057 1.2057 1.3844 1.3844 1.6265 1.6265 1.6881 1.6881 1.8484 1.8484 1.9035 1.9035 1.9734 1.9734 2.3600 2.3600 2.3971 2.3971 2.8985 2.8985 3.0194 3.0194 3.2666 3.2666 3.4708 3.4708 3.8558 3.8558 4.0571 4.0571 4.8810 4.8810 5.0425 5.0425 5.1932 5.1932 5.2014 5.2014 5.6989 5.6989 5.7366 5.7366 7.5143 7.5143 7.5608 7.5608 8.0021 8.0021 8.0674 8.0674 8.1944 8.1944 8.6268 8.6268 9.4574 9.4574 k = 0.3533 0.5427-0.0000 ( 7775 PWs) bands (ev): -4.6292 -4.6292 -4.5541 -4.5541 -4.5468 -4.5468 -4.5328 -4.5328 -4.4225 -4.4225 -4.4191 -4.4191 -3.0820 -3.0820 -3.0639 -3.0639 -3.0158 -3.0158 -3.0043 -3.0043 -2.6104 -2.6104 -2.2749 -2.2749 1.2334 1.2334 1.3638 1.3638 1.5974 1.5974 1.7089 1.7089 1.8493 1.8493 1.8880 1.8880 2.0039 2.0039 2.2785 2.2785 2.3213 2.3213 2.9426 2.9426 3.0495 3.0495 3.2792 3.2792 3.5106 3.5106 3.7819 3.7819 3.9661 3.9661 4.9320 4.9320 5.0899 5.0899 5.2156 5.2156 5.2440 5.2440 5.6133 5.6133 5.6653 5.6653 7.5734 7.5734 7.6174 7.6174 8.0121 8.0121 8.0883 8.0883 8.1314 8.1314 8.5298 8.5298 9.5722 9.5722 k = 0.3467 0.5543-0.0000 ( 7765 PWs) bands (ev): -4.6092 -4.6092 -4.5558 -4.5558 -4.5366 -4.5366 -4.5224 -4.5224 -4.4163 -4.4163 -4.4133 -4.4133 -3.0865 -3.0865 -3.0616 -3.0616 -3.0358 -3.0358 -3.0247 -3.0247 -2.5583 -2.5583 -2.3293 -2.3293 1.2587 1.2587 1.3404 1.3404 1.5753 1.5753 1.7414 1.7414 1.8511 1.8511 1.8715 1.8715 2.0374 2.0374 2.2059 2.2059 2.2594 2.2594 2.9829 2.9829 3.0803 3.0803 3.2806 3.2806 3.5486 3.5486 3.7201 3.7201 3.8891 3.8891 4.9838 4.9838 5.1170 5.1170 5.2372 5.2372 5.3006 5.3006 5.5315 5.5315 5.5926 5.5926 7.6245 7.6245 7.6815 7.6815 7.9589 7.9589 8.1108 8.1108 8.1390 8.1390 8.4264 8.4264 9.6723 9.6723 k = 0.3400 0.5658-0.0000 ( 7783 PWs) bands (ev): -4.5914 -4.5914 -4.5615 -4.5615 -4.5296 -4.5296 -4.5151 -4.5151 -4.4129 -4.4129 -4.4107 -4.4107 -3.0903 -3.0903 -3.0599 -3.0599 -3.0468 -3.0468 -3.0392 -3.0392 -2.5036 -2.5036 -2.3851 -2.3851 1.2801 1.2801 1.3187 1.3187 1.5621 1.5621 1.7807 1.7807 1.8484 1.8484 1.8529 1.8529 2.0713 2.0713 2.1460 2.1460 2.2184 2.2184 3.0133 3.0133 3.1083 3.1083 3.2696 3.2696 3.5821 3.5821 3.6735 3.6735 3.8373 3.8373 5.0341 5.0341 5.1206 5.1206 5.2553 5.2553 5.3616 5.3616 5.4682 5.4682 5.5235 5.5235 7.6664 7.6664 7.7449 7.7449 7.8768 7.8768 8.1471 8.1471 8.1766 8.1766 8.3218 8.3218 9.7439 9.7439 k = 0.3333 0.5774-0.0000 ( 7779 PWs) bands (ev): -4.5804 -4.5804 -4.5682 -4.5682 -4.5269 -4.5269 -4.5123 -4.5123 -4.4119 -4.4119 -4.4103 -4.4103 -3.0920 -3.0920 -3.0599 -3.0599 -3.0483 -3.0483 -3.0456 -3.0456 -2.4565 -2.4565 -2.4325 -2.4325 1.2929 1.2929 1.3054 1.3054 1.5579 1.5579 1.8141 1.8141 1.8307 1.8307 1.8448 1.8448 2.0973 2.0973 2.1106 2.1106 2.2041 2.2041 3.0255 3.0255 3.1225 3.1225 3.2596 3.2596 3.6002 3.6002 3.6506 3.6506 3.8200 3.8200 5.0687 5.0687 5.1058 5.1058 5.2633 5.2633 5.3919 5.3919 5.4602 5.4602 5.4733 5.4733 7.6883 7.6883 7.7920 7.7920 7.8150 7.8150 8.1775 8.1775 8.2273 8.2273 8.2308 8.2308 9.7705 9.7705 k = 0.3333 0.5774-0.0000 ( 7779 PWs) bands (ev): -4.5804 -4.5804 -4.5682 -4.5682 -4.5269 -4.5269 -4.5123 -4.5123 -4.4119 -4.4119 -4.4103 -4.4103 -3.0920 -3.0920 -3.0599 -3.0599 -3.0483 -3.0483 -3.0456 -3.0456 -2.4565 -2.4565 -2.4325 -2.4325 1.2929 1.2929 1.3054 1.3054 1.5579 1.5579 1.8141 1.8141 1.8307 1.8307 1.8448 1.8448 2.0973 2.0973 2.1106 2.1106 2.2041 2.2041 3.0255 3.0255 3.1225 3.1225 3.2596 3.2596 3.6002 3.6002 3.6506 3.6506 3.8200 3.8200 5.0687 5.0687 5.1058 5.1058 5.2633 5.2633 5.3919 5.3919 5.4602 5.4602 5.4733 5.4733 7.6883 7.6883 7.7920 7.7920 7.8150 7.8150 8.1775 8.1775 8.2273 8.2273 8.2308 8.2308 9.7705 9.7705 k = 0.3267 0.5658-0.0000 ( 7781 PWs) bands (ev): -4.5927 -4.5927 -4.5610 -4.5610 -4.5299 -4.5299 -4.5156 -4.5156 -4.4124 -4.4124 -4.4102 -4.4102 -3.0896 -3.0896 -3.0581 -3.0581 -3.0470 -3.0470 -3.0409 -3.0409 -2.5056 -2.5056 -2.3831 -2.3831 1.2844 1.2844 1.3150 1.3150 1.5610 1.5610 1.7888 1.7888 1.8146 1.8146 1.8790 1.8790 2.0858 2.0858 2.1328 2.1328 2.2172 2.2172 3.0112 3.0112 3.1049 3.1049 3.2757 3.2757 3.5884 3.5884 3.6705 3.6705 3.8336 3.8336 5.0232 5.0232 5.1300 5.1300 5.2550 5.2550 5.3895 5.3895 5.4374 5.4374 5.5285 5.5285 7.6525 7.6525 7.7829 7.7829 7.8519 7.8519 8.1089 8.1089 8.2445 8.2445 8.2931 8.2931 9.7434 9.7434 k = 0.3200 0.5543-0.0000 ( 7769 PWs) bands (ev): -4.6154 -4.6154 -4.5557 -4.5557 -4.5391 -4.5391 -4.5254 -4.5254 -4.4124 -4.4124 -4.4096 -4.4096 -3.0813 -3.0813 -3.0510 -3.0510 -3.0399 -3.0399 -3.0319 -3.0319 -2.5664 -2.5664 -2.3214 -2.3214 1.2773 1.2773 1.3269 1.3269 1.5663 1.5663 1.7582 1.7582 1.7808 1.7808 1.9293 1.9293 2.0921 2.0921 2.1604 2.1604 2.2499 2.2499 2.9691 2.9691 3.0625 3.0625 3.3157 3.3157 3.5819 3.5819 3.7068 3.7068 3.8658 3.8658 4.9436 4.9436 5.1348 5.1348 5.2518 5.2518 5.3981 5.3981 5.4385 5.4385 5.5985 5.5985 7.5791 7.5791 7.7998 7.7998 7.8781 7.8781 8.0244 8.0244 8.2953 8.2953 8.3652 8.3652 9.6747 9.6747 k = 0.3133 0.5427-0.0000 ( 7771 PWs) bands (ev): -4.6450 -4.6450 -4.5646 -4.5646 -4.5532 -4.5532 -4.5364 -4.5364 -4.4102 -4.4102 -4.4086 -4.4086 -3.0666 -3.0666 -3.0372 -3.0372 -3.0271 -3.0271 -3.0197 -3.0197 -2.6289 -2.6289 -2.2573 -2.2573 1.2758 1.2758 1.3390 1.3390 1.5654 1.5654 1.7248 1.7248 1.7564 1.7564 1.9826 1.9826 2.1149 2.1149 2.1934 2.1934 2.2924 2.2924 2.9079 2.9079 3.0073 3.0073 3.3660 3.3660 3.5928 3.5928 3.7489 3.7489 3.9078 3.9078 4.8532 4.8532 5.0956 5.0956 5.2794 5.2794 5.4162 5.4162 5.4558 5.4558 5.6684 5.6684 7.5031 7.5031 7.8179 7.8179 7.8565 7.8565 7.9825 7.9825 8.3531 8.3531 8.4431 8.4431 9.5880 9.5880 k = 0.3067 0.5312-0.0000 ( 7759 PWs) bands (ev): -4.6811 -4.6811 -4.5905 -4.5905 -4.5755 -4.5755 -4.5424 -4.5424 -4.4075 -4.4075 -4.4057 -4.4057 -3.0460 -3.0460 -3.0168 -3.0168 -3.0090 -3.0090 -3.0036 -3.0036 -2.6928 -2.6928 -2.1912 -2.1912 1.2803 1.2803 1.3527 1.3527 1.5522 1.5522 1.6831 1.6831 1.7604 1.7604 2.0379 2.0379 2.1489 2.1489 2.2329 2.2329 2.3398 2.3398 2.8383 2.8383 2.9442 2.9442 3.4202 3.4202 3.6185 3.6185 3.7947 3.7947 3.9546 3.9546 4.7591 4.7591 5.0416 5.0416 5.3181 5.3181 5.4395 5.4395 5.4800 5.4800 5.7359 5.7359 7.4323 7.4323 7.7817 7.7817 7.8375 7.8375 7.9857 7.9857 8.4148 8.4148 8.5245 8.5245 9.4954 9.4954 k = 0.3000 0.5196-0.0000 ( 7755 PWs) bands (ev): -4.7234 -4.7234 -4.6265 -4.6265 -4.6042 -4.6042 -4.5505 -4.5505 -4.4068 -4.4068 -4.3997 -4.3997 -3.0207 -3.0207 -2.9916 -2.9916 -2.9866 -2.9866 -2.9799 -2.9799 -2.7576 -2.7576 -2.1235 -2.1235 1.2907 1.2907 1.3692 1.3692 1.5296 1.5296 1.6423 1.6423 1.7851 1.7851 2.0950 2.0950 2.1903 2.1903 2.2782 2.2782 2.3897 2.3897 2.7668 2.7668 2.8775 2.8775 3.4758 3.4758 3.6536 3.6536 3.8432 3.8432 4.0038 4.0038 4.6651 4.6651 4.9890 4.9890 5.3565 5.3565 5.4654 5.4654 5.5070 5.5070 5.7993 5.7993 7.3696 7.3696 7.7031 7.7031 7.8487 7.8487 7.9968 7.9968 8.4777 8.4777 8.6072 8.6072 9.4018 9.4018 k = 0.2933 0.5081-0.0000 ( 7747 PWs) bands (ev): -4.7711 -4.7711 -4.6698 -4.6698 -4.6374 -4.6374 -4.5633 -4.5633 -4.4071 -4.4071 -4.3930 -4.3930 -2.9926 -2.9926 -2.9677 -2.9677 -2.9552 -2.9552 -2.9468 -2.9468 -2.8232 -2.8232 -2.0542 -2.0542 1.3066 1.3066 1.3887 1.3887 1.5047 1.5047 1.6060 1.6060 1.8224 1.8224 2.1536 2.1536 2.2366 2.2366 2.3283 2.3283 2.4400 2.4400 2.6981 2.6981 2.8116 2.8116 3.5315 3.5315 3.6926 3.6926 3.8937 3.8937 4.0541 4.0541 4.5734 4.5734 4.9442 4.9442 5.3902 5.3902 5.4926 5.4926 5.5357 5.5357 5.8571 5.8571 7.3172 7.3172 7.6281 7.6281 7.8565 7.8565 8.0057 8.0057 8.5386 8.5386 8.6882 8.6882 9.3105 9.3105 k = 0.2867 0.4965-0.0000 ( 7761 PWs) bands (ev): -4.8237 -4.8237 -4.7189 -4.7189 -4.6747 -4.6747 -4.5809 -4.5809 -4.4088 -4.4088 -4.3863 -4.3863 -2.9630 -2.9630 -2.9425 -2.9425 -2.9166 -2.9166 -2.9065 -2.9065 -2.8877 -2.8877 -1.9835 -1.9835 1.3270 1.3270 1.4103 1.4103 1.4833 1.4833 1.5766 1.5766 1.8674 1.8674 2.2138 2.2138 2.2852 2.2852 2.3815 2.3815 2.4861 2.4861 2.6380 2.6380 2.7519 2.7519 3.5864 3.5864 3.7306 3.7306 3.9457 3.9457 4.1051 4.1051 4.4862 4.4862 4.9114 4.9114 5.4164 5.4164 5.5203 5.5203 5.5661 5.5661 5.9077 5.9077 7.2769 7.2769 7.5610 7.5610 7.8608 7.8608 8.0110 8.0110 8.5937 8.5937 8.7625 8.7625 9.2268 9.2268 k = 0.2800 0.4850-0.0000 ( 7761 PWs) bands (ev): -4.8802 -4.8802 -4.7725 -4.7725 -4.7156 -4.7156 -4.6031 -4.6031 -4.4123 -4.4123 -4.3804 -4.3804 -2.9596 -2.9596 -2.9290 -2.9290 -2.9142 -2.9142 -2.8684 -2.8684 -2.8594 -2.8594 -1.9115 -1.9115 1.3502 1.3502 1.4291 1.4291 1.4726 1.4726 1.5566 1.5566 1.9173 1.9173 2.2750 2.2750 2.3323 2.3323 2.4335 2.4335 2.5119 2.5119 2.6031 2.6031 2.7078 2.7078 3.6392 3.6392 3.7625 3.7625 3.9987 3.9987 4.1569 4.1569 4.4061 4.4061 4.8933 4.8933 5.4328 5.4328 5.5481 5.5481 5.5985 5.5985 5.9492 5.9492 7.2500 7.2500 7.5043 7.5043 7.8614 7.8614 8.0127 8.0127 8.6383 8.6383 8.8187 8.8187 9.1620 9.1620 k = 0.2733 0.4734-0.0000 ( 7757 PWs) bands (ev): -4.9399 -4.9399 -4.8296 -4.8296 -4.7596 -4.7596 -4.6296 -4.6296 -4.4177 -4.4177 -4.3756 -4.3756 -3.0251 -3.0251 -2.8970 -2.8970 -2.8832 -2.8832 -2.8169 -2.8169 -2.8075 -2.8075 -1.8385 -1.8385 1.3720 1.3720 1.4365 1.4365 1.4820 1.4820 1.5505 1.5505 1.9703 1.9703 2.3343 2.3343 2.3723 2.3723 2.4568 2.4568 2.5202 2.5202 2.6079 2.6079 2.6993 2.6993 3.6886 3.6886 3.7845 3.7845 4.0507 4.0507 4.2104 4.2104 4.3379 4.3379 4.8916 4.8916 5.4384 5.4384 5.5756 5.5756 5.6325 5.6325 5.9802 5.9802 7.2378 7.2378 7.4597 7.4597 7.8587 7.8587 8.0110 8.0110 8.6660 8.6660 8.8341 8.8341 9.1389 9.1389 k = 0.2667 0.4619-0.0000 ( 7761 PWs) bands (ev): -5.0022 -5.0022 -4.8896 -4.8896 -4.8064 -4.8064 -4.6601 -4.6601 -4.4254 -4.4254 -4.3724 -4.3724 -3.0920 -3.0920 -2.8621 -2.8621 -2.8494 -2.8494 -2.7606 -2.7606 -2.7509 -2.7509 -1.7646 -1.7646 1.3860 1.3860 1.4423 1.4423 1.5030 1.5030 1.5641 1.5641 2.0247 2.0247 2.3670 2.3670 2.4155 2.4155 2.4290 2.4290 2.5631 2.5631 2.6310 2.6310 2.7338 2.7338 3.7313 3.7313 3.7947 3.7947 4.0942 4.0942 4.2658 4.2658 4.2932 4.2932 4.9066 4.9066 5.4329 5.4329 5.6027 5.6027 5.6678 5.6678 5.9993 5.9993 7.2406 7.2406 7.4287 7.4287 7.8529 7.8529 8.0060 8.0060 8.6704 8.6704 8.7982 8.7982 9.1677 9.1677 k = 0.2600 0.4503-0.0000 ( 7761 PWs) bands (ev): -5.0664 -5.0664 -4.9516 -4.9516 -4.8556 -4.8556 -4.6941 -4.6941 -4.4352 -4.4352 -4.3708 -4.3708 -3.1590 -3.1590 -2.8257 -2.8257 -2.8132 -2.8132 -2.7002 -2.7002 -2.6903 -2.6903 -1.6900 -1.6900 1.3926 1.3926 1.4508 1.4508 1.5327 1.5327 1.5948 1.5948 2.0781 2.0781 2.3587 2.3587 2.3921 2.3921 2.4792 2.4792 2.6156 2.6156 2.6785 2.6785 2.7882 2.7882 3.7614 3.7614 3.7953 3.7953 4.1135 4.1135 4.2887 4.2887 4.3275 4.3275 4.9371 4.9371 5.4169 5.4169 5.6290 5.6290 5.7035 5.7035 6.0060 6.0060 7.2581 7.2581 7.4122 7.4122 7.8440 7.8440 7.9981 7.9981 8.6466 8.6466 8.7350 8.7350 9.2237 9.2237 k = 0.2533 0.4388-0.0000 ( 7753 PWs) bands (ev): -5.1319 -5.1319 -5.0152 -5.0152 -4.9067 -4.9067 -4.7311 -4.7311 -4.4474 -4.4474 -4.3710 -4.3710 -3.2256 -3.2256 -2.7882 -2.7882 -2.7749 -2.7749 -2.6364 -2.6364 -2.6261 -2.6261 -1.6148 -1.6148 1.3987 1.3987 1.4598 1.4598 1.5734 1.5734 1.6346 1.6346 2.1262 2.1262 2.3416 2.3416 2.3602 2.3602 2.5456 2.5456 2.6758 2.6758 2.7399 2.7399 2.8500 2.8500 3.7678 3.7678 3.7932 3.7932 4.1141 4.1141 4.3295 4.3295 4.3913 4.3913 4.9810 4.9810 5.3916 5.3916 5.6543 5.6543 5.7393 5.7393 6.0006 6.0006 7.2890 7.2890 7.4103 7.4103 7.8323 7.8323 7.9876 7.9876 8.5950 8.5950 8.6652 8.6652 9.2805 9.2805 k = 0.2467 0.4272-0.0000 ( 7751 PWs) bands (ev): -5.1984 -5.1984 -5.0800 -5.0800 -4.9594 -4.9594 -4.7709 -4.7709 -4.4618 -4.4618 -4.3732 -4.3732 -3.2917 -3.2917 -2.7499 -2.7499 -2.7349 -2.7349 -2.5697 -2.5697 -2.5587 -2.5587 -1.5392 -1.5392 1.4084 1.4084 1.4716 1.4716 1.6221 1.6221 1.6788 1.6788 2.1621 2.1621 2.3165 2.3165 2.3555 2.3555 2.6128 2.6128 2.7423 2.7423 2.8059 2.8059 2.9161 2.9161 3.7548 3.7548 3.7834 3.7834 4.1232 4.1232 4.3891 4.3891 4.4602 4.4602 5.0358 5.0358 5.3581 5.3581 5.6784 5.6784 5.7747 5.7747 5.9842 5.9842 7.3315 7.3315 7.4227 7.4227 7.8180 7.8180 7.9747 7.9747 8.5242 8.5242 8.5932 8.5932 9.3105 9.3105 k = 0.2400 0.4157-0.0000 ( 7745 PWs) bands (ev): -5.2654 -5.2654 -5.1453 -5.1453 -5.0134 -5.0134 -4.8130 -4.8130 -4.4786 -4.4786 -4.3773 -4.3773 -3.3571 -3.3571 -2.7113 -2.7113 -2.6936 -2.6936 -2.5004 -2.5004 -2.4886 -2.4886 -1.4635 -1.4635 1.4231 1.4231 1.4881 1.4881 1.6758 1.6758 1.7242 1.7242 2.1826 2.1826 2.2895 2.2895 2.3836 2.3836 2.6796 2.6796 2.8126 2.8126 2.8730 2.8730 2.9857 2.9857 3.7364 3.7364 3.7595 3.7595 4.1496 4.1496 4.4545 4.4545 4.5344 4.5344 5.0991 5.0991 5.3182 5.3182 5.7011 5.7011 5.8096 5.8096 5.9586 5.9586 7.3830 7.3830 7.4484 7.4484 7.8014 7.8014 7.9599 7.9599 8.4451 8.4451 8.5170 8.5170 9.3003 9.3003 k = 0.2333 0.4041-0.0000 ( 7755 PWs) bands (ev): -5.3325 -5.3325 -5.2110 -5.2110 -5.0684 -5.0684 -4.8571 -4.8571 -4.4976 -4.4976 -4.3833 -4.3833 -3.4216 -3.4216 -2.6728 -2.6728 -2.6515 -2.6515 -2.4291 -2.4291 -2.4161 -2.4161 -1.3877 -1.3877 1.4432 1.4432 1.5106 1.5106 1.7321 1.7321 1.7688 1.7688 2.1962 2.1962 2.2699 2.2699 2.4325 2.4325 2.7450 2.7450 2.8839 2.8839 2.9398 2.9398 3.0586 3.0586 3.7181 3.7181 3.7290 3.7290 4.1888 4.1888 4.5209 4.5209 4.6133 4.6133 5.1679 5.1679 5.2743 5.2743 5.7221 5.7221 5.8439 5.8439 5.9259 5.9259 7.4400 7.4400 7.4868 7.4868 7.7830 7.7830 7.9437 7.9437 8.3642 8.3642 8.4364 8.4364 9.2679 9.2679 k = 0.2267 0.3926-0.0000 ( 7751 PWs) bands (ev): -5.3994 -5.3994 -5.2766 -5.2766 -5.1240 -5.1240 -4.9026 -4.9026 -4.5187 -4.5187 -4.3913 -4.3913 -3.4851 -3.4851 -2.6348 -2.6348 -2.6090 -2.6090 -2.3559 -2.3559 -2.3416 -2.3416 -1.3122 -1.3122 1.4688 1.4688 1.5394 1.5394 1.7886 1.7886 1.8109 1.8109 2.2136 2.2136 2.2610 2.2610 2.4921 2.4921 2.8080 2.8080 2.9517 2.9517 3.0077 3.0077 3.1347 3.1347 3.6936 3.6936 3.7094 3.7094 4.2356 4.2356 4.5867 4.5867 4.6961 4.6961 5.2108 5.2108 5.2576 5.2576 5.7408 5.7408 5.8769 5.8769 5.8895 5.8895 7.4971 7.4971 7.5377 7.5377 7.7638 7.7638 7.9271 7.9271 8.2842 8.2842 8.3530 8.3530 9.2267 9.2267 k = 0.2200 0.3811-0.0000 ( 7751 PWs) bands (ev): -5.4660 -5.4660 -5.3420 -5.3420 -5.1799 -5.1799 -4.9494 -4.9494 -4.5419 -4.5419 -4.4011 -4.4011 -3.5474 -3.5474 -2.5977 -2.5977 -2.5666 -2.5666 -2.2813 -2.2813 -2.2654 -2.2654 -1.2370 -1.2370 1.4996 1.4996 1.5746 1.5746 1.8416 1.8416 1.8508 1.8508 2.2403 2.2403 2.2664 2.2664 2.5568 2.5568 2.8675 2.8675 3.0101 3.0101 3.0803 3.0803 3.2136 3.2136 3.6674 3.6674 3.7054 3.7054 4.2863 4.2863 4.6514 4.6514 4.7816 4.7816 5.1666 5.1666 5.3294 5.3294 5.7557 5.7557 5.8498 5.8498 5.9116 5.9116 7.5488 7.5488 7.5991 7.5991 7.7459 7.7459 7.9116 7.9116 8.2070 8.2070 8.2684 8.2684 9.1816 9.1816 k = 0.2133 0.3695-0.0000 ( 7745 PWs) bands (ev): -5.5319 -5.5319 -5.4068 -5.4068 -5.2360 -5.2360 -4.9971 -4.9971 -4.5670 -4.5670 -4.4126 -4.4126 -3.6085 -3.6085 -2.5618 -2.5618 -2.5246 -2.5246 -2.2056 -2.2056 -2.1877 -2.1877 -1.1623 -1.1623 1.5352 1.5352 1.6164 1.6164 1.8816 1.8816 1.8966 1.8966 2.2745 2.2745 2.2920 2.2920 2.6235 2.6235 2.9222 2.9222 3.0567 3.0567 3.1582 3.1582 3.2942 3.2942 3.6497 3.6497 3.7137 3.7137 4.3389 4.3389 4.7147 4.7147 4.8683 4.8683 5.1151 5.1151 5.4105 5.4105 5.7595 5.7595 5.8192 5.8192 5.9448 5.9448 7.5892 7.5892 7.6622 7.6622 7.7370 7.7370 7.9002 7.9002 8.1341 8.1341 8.1844 8.1844 9.1347 9.1347 k = 0.2067 0.3580-0.0000 ( 7723 PWs) bands (ev): -5.5969 -5.5969 -5.4709 -5.4709 -5.2919 -5.2919 -5.0454 -5.0454 -4.5939 -4.5939 -4.4258 -4.4258 -3.6682 -3.6682 -2.5274 -2.5274 -2.4836 -2.4836 -2.1291 -2.1291 -2.1091 -2.1091 -1.0883 -1.0883 1.5753 1.5753 1.6645 1.6645 1.9161 1.9161 1.9414 1.9414 2.3150 2.3150 2.3389 2.3389 2.6906 2.6906 2.9710 2.9710 3.0933 3.0933 3.2389 3.2389 3.3755 3.3755 3.6444 3.6444 3.7361 3.7361 4.3921 4.3921 4.7758 4.7758 4.9535 4.9535 5.0660 5.0660 5.4932 5.4932 5.7369 5.7369 5.8131 5.8131 5.9783 5.9783 7.6058 7.6058 7.7032 7.7032 7.7628 7.7628 7.8970 7.8970 8.0684 8.0684 8.1038 8.1038 9.0869 9.0869 k = 0.2000 0.3464-0.0000 ( 7713 PWs) bands (ev): -5.6609 -5.6609 -5.5340 -5.5340 -5.3474 -5.3474 -5.0939 -5.0939 -4.6223 -4.6223 -4.4405 -4.4405 -3.7264 -3.7264 -2.4948 -2.4948 -2.4439 -2.4439 -2.0522 -2.0522 -2.0297 -2.0297 -1.0151 -1.0151 1.6192 1.6192 1.7187 1.7187 1.9521 1.9521 1.9822 1.9822 2.3680 2.3680 2.3971 2.3971 2.7565 2.7565 3.0128 3.0128 3.1233 3.1233 3.3197 3.3197 3.4562 3.4562 3.6543 3.6543 3.7734 3.7734 4.4449 4.4449 4.8320 4.8320 4.9991 4.9991 5.0605 5.0605 5.5757 5.5757 5.6997 5.6997 5.8216 5.8216 6.0126 6.0126 7.5948 7.5948 7.7134 7.7134 7.8211 7.8211 7.8996 7.8996 8.0132 8.0132 8.0393 8.0393 9.0388 9.0389 k = 0.1933 0.3349-0.0000 ( 7717 PWs) bands (ev): -5.7238 -5.7238 -5.5961 -5.5961 -5.4024 -5.4024 -5.1426 -5.1426 -4.6521 -4.6521 -4.4565 -4.4565 -3.7831 -3.7831 -2.4644 -2.4644 -2.4058 -2.4058 -1.9750 -1.9750 -1.9498 -1.9498 -0.9427 -0.9427 1.6666 1.6666 1.7787 1.7787 1.9924 1.9924 2.0214 2.0214 2.4332 2.4332 2.4611 2.4611 2.8198 2.8198 3.0474 3.0474 3.1514 3.1514 3.3987 3.3987 3.5357 3.5357 3.6806 3.6806 3.8252 3.8252 4.4965 4.4965 4.8712 4.8712 4.9768 4.9768 5.1392 5.1392 5.6502 5.6502 5.6667 5.6667 5.8330 5.8330 6.0485 6.0485 7.5679 7.5679 7.7077 7.7077 7.8578 7.8578 7.8873 7.8873 7.9705 7.9705 8.0356 8.0356 8.9909 8.9909 k = 0.1867 0.3233-0.0000 ( 7723 PWs) bands (ev): -5.7853 -5.7853 -5.6569 -5.6569 -5.4567 -5.4567 -5.1911 -5.1911 -4.6830 -4.6830 -4.4738 -4.4738 -3.8382 -3.8382 -2.4362 -2.4362 -2.3697 -2.3697 -1.8980 -1.8980 -1.8699 -1.8699 -0.8714 -0.8714 1.7171 1.7171 1.8439 1.8439 2.0385 2.0385 2.0626 2.0626 2.5065 2.5065 2.5277 2.5277 2.8795 2.8795 3.0754 3.0754 3.1833 3.1833 3.4741 3.4741 3.6137 3.6137 3.7229 3.7229 3.8902 3.8902 4.5457 4.5457 4.8634 4.8634 4.9954 4.9954 5.2238 5.2238 5.6226 5.6226 5.7334 5.7334 5.8454 5.8454 6.0869 6.0869 7.5327 7.5327 7.6907 7.6907 7.8201 7.8201 7.8505 7.8505 8.0040 8.0040 8.0782 8.0782 8.9433 8.9433 k = 0.1800 0.3118-0.0000 ( 7733 PWs) bands (ev): -5.8455 -5.8455 -5.7163 -5.7163 -5.5101 -5.5101 -5.2392 -5.2392 -4.7149 -4.7149 -4.4922 -4.4922 -3.8916 -3.8916 -2.4105 -2.4105 -2.3359 -2.3359 -1.8215 -1.8215 -1.7903 -1.7903 -0.8011 -0.8011 1.7706 1.7706 1.9138 1.9138 2.0905 2.0905 2.1099 2.1099 2.5815 2.5815 2.5966 2.5966 2.9352 2.9352 3.0998 3.0998 3.2236 3.2236 3.5455 3.5455 3.6903 3.6903 3.7787 3.7787 3.9660 3.9660 4.5909 4.5909 4.8282 4.8282 5.0434 5.0434 5.3068 5.3068 5.5903 5.5903 5.7989 5.7989 5.8615 5.8615 6.1290 6.1290 7.4920 7.4920 7.6670 7.6670 7.7622 7.7622 7.8012 7.8012 8.0708 8.0708 8.1348 8.1348 8.8963 8.8963 k = 0.1733 0.3002-0.0000 ( 7731 PWs) bands (ev): -5.9040 -5.9040 -5.7743 -5.7743 -5.5625 -5.5625 -5.2867 -5.2867 -4.7476 -4.7476 -4.5114 -4.5114 -3.9433 -3.9433 -2.3873 -2.3873 -2.3046 -2.3046 -1.7457 -1.7457 -1.7113 -1.7113 -0.7318 -0.7318 1.8272 1.8272 1.9872 1.9872 2.1469 2.1469 2.1678 2.1678 2.6460 2.6460 2.6731 2.6731 2.9880 2.9880 3.1249 3.1249 3.2745 3.2745 3.6137 3.6137 3.7649 3.7649 3.8451 3.8451 4.0503 4.0503 4.6289 4.6289 4.7930 4.7930 5.0974 5.0974 5.3863 5.3863 5.5639 5.5639 5.8393 5.8393 5.8944 5.8944 6.1752 6.1752 7.4469 7.4469 7.6396 7.6396 7.7036 7.7036 7.7574 7.7574 8.1398 8.1398 8.1930 8.1930 8.8497 8.8497 k = 0.1667 0.2887-0.0000 ( 7727 PWs) bands (ev): -5.9609 -5.9609 -5.8307 -5.8307 -5.6137 -5.6137 -5.3336 -5.3336 -4.7808 -4.7808 -4.5314 -4.5314 -3.9933 -3.9933 -2.3667 -2.3667 -2.2759 -2.2759 -1.6710 -1.6710 -1.6333 -1.6333 -0.6636 -0.6636 1.8873 1.8873 2.0630 2.0630 2.2089 2.2089 2.2370 2.2370 2.6999 2.6999 2.7509 2.7509 3.0406 3.0406 3.1561 3.1561 3.3363 3.3363 3.6799 3.6799 3.8360 3.8360 3.9197 3.9197 4.1406 4.1406 4.6514 4.6514 4.7712 4.7712 5.1523 5.1523 5.4606 5.4606 5.5456 5.5456 5.8554 5.8554 5.9422 5.9422 6.2250 6.2250 7.3991 7.3991 7.6102 7.6102 7.6495 7.6495 7.7211 7.7211 8.2026 8.2026 8.2485 8.2485 8.8027 8.8027 k = 0.1600 0.2771-0.0000 ( 7747 PWs) bands (ev): -6.0161 -6.0161 -5.8854 -5.8854 -5.6636 -5.6636 -5.3795 -5.3795 -4.8143 -4.8143 -4.5520 -4.5520 -4.0415 -4.0415 -2.3488 -2.3488 -2.2500 -2.2500 -1.5977 -1.5977 -1.5567 -1.5567 -0.5964 -0.5964 1.9515 1.9515 2.1399 2.1399 2.2795 2.2795 2.3156 2.3156 2.7453 2.7453 2.8229 2.8229 3.0951 3.0951 3.1984 3.1984 3.4076 3.4076 3.7452 3.7452 3.9032 3.9032 3.9995 3.9995 4.2348 4.2348 4.6485 4.6485 4.7742 4.7742 5.2070 5.2070 5.5179 5.5179 5.5474 5.5474 5.8646 5.8646 5.9880 5.9880 6.2758 6.2758 7.3510 7.3510 7.5797 7.5797 7.6013 7.6013 7.6934 7.6934 8.2509 8.2509 8.3010 8.3010 8.7530 8.7531 k = 0.1533 0.2656-0.0000 ( 7747 PWs) bands (ev): -6.0695 -6.0695 -5.9384 -5.9384 -5.7121 -5.7121 -5.4243 -5.4243 -4.8479 -4.8479 -4.5730 -4.5730 -4.0879 -4.0879 -2.3334 -2.3334 -2.2269 -2.2269 -1.5261 -1.5261 -1.4818 -1.4818 -0.5303 -0.5303 2.0201 2.0201 2.2174 2.2174 2.3601 2.3601 2.4019 2.4019 2.7837 2.7837 2.8858 2.8858 3.1515 3.1515 3.2558 3.2558 3.4873 3.4873 3.8098 3.8098 3.9671 3.9671 4.0816 4.0816 4.3309 4.3309 4.6292 4.6292 4.7933 4.7933 5.2615 5.2615 5.5280 5.5280 5.5999 5.5999 5.8714 5.8714 6.0285 6.0285 6.3234 6.3234 7.3061 7.3061 7.5483 7.5483 7.5591 7.5591 7.6754 7.6754 8.2796 8.2796 8.3478 8.3478 8.6966 8.6966 k = 0.1467 0.2540-0.0000 ( 7763 PWs) bands (ev): -6.1210 -6.1210 -5.9895 -5.9895 -5.7591 -5.7591 -5.4680 -5.4680 -4.8814 -4.8814 -4.5943 -4.5943 -4.1325 -4.1325 -2.3206 -2.3206 -2.2066 -2.2066 -1.4566 -1.4566 -1.4091 -1.4091 -0.4651 -0.4651 2.0937 2.0937 2.2959 2.2959 2.4501 2.4501 2.4949 2.4949 2.8175 2.8175 2.9397 2.9397 3.2071 3.2071 3.3299 3.3299 3.5740 3.5740 3.8740 3.8740 4.0281 4.0281 4.1634 4.1634 4.4267 4.4267 4.6084 4.6084 4.8151 4.8151 5.3160 5.3160 5.5397 5.5397 5.6543 5.6543 5.8772 5.8772 6.0645 6.0645 6.3623 6.3623 7.2688 7.2688 7.5153 7.5153 7.5233 7.5233 7.6685 7.6685 8.2878 8.2878 8.3818 8.3818 8.6288 8.6288 k = 0.1400 0.2425-0.0000 ( 7749 PWs) bands (ev): -6.1706 -6.1706 -6.0387 -6.0387 -5.8046 -5.8046 -5.5104 -5.5104 -4.9147 -4.9147 -4.6157 -4.6157 -4.1753 -4.1753 -2.3101 -2.3101 -2.1891 -2.1891 -1.3893 -1.3893 -1.3390 -1.3390 -0.4009 -0.4009 2.1723 2.1723 2.3763 2.3763 2.5480 2.5480 2.5936 2.5936 2.8496 2.8496 2.9880 2.9880 3.2593 3.2593 3.4184 3.4184 3.6665 3.6665 3.9378 3.9378 4.0865 4.0865 4.2429 4.2429 4.5175 4.5175 4.5957 4.5957 4.8341 4.8341 5.3713 5.3713 5.5620 5.5620 5.7009 5.7009 5.8821 5.8821 6.0976 6.0976 6.3872 6.3872 7.2435 7.2435 7.4821 7.4821 7.4918 7.4918 7.6735 7.6735 8.2754 8.2754 8.3956 8.3956 8.5503 8.5503 k = 0.1333 0.2309-0.0000 ( 7745 PWs) bands (ev): -6.2181 -6.2181 -6.0859 -6.0859 -5.8483 -5.8483 -5.5515 -5.5515 -4.9474 -4.9474 -4.6371 -4.6371 -4.2162 -4.2162 -2.3019 -2.3019 -2.1743 -2.1743 -1.3246 -1.3246 -1.2717 -1.2717 -0.3376 -0.3376 2.2562 2.2562 2.4594 2.4594 2.6521 2.6521 2.6966 2.6966 2.8832 2.8832 3.0345 3.0345 3.3069 3.3069 3.5167 3.5167 3.7631 3.7631 4.0011 4.0011 4.1429 4.1429 4.3179 4.3179 4.5653 4.5653 4.6312 4.6312 4.8491 4.8491 5.4284 5.4284 5.5949 5.5949 5.7389 5.7389 5.8863 5.8863 6.1288 6.1288 6.3938 6.3938 7.2332 7.2332 7.4518 7.4518 7.4619 7.4619 7.6906 7.6906 8.2430 8.2430 8.3761 8.3761 8.4747 8.4747 k = 0.1267 0.2194-0.0000 ( 7753 PWs) bands (ev): -6.2636 -6.2636 -6.1312 -6.1312 -5.8904 -5.8904 -5.5910 -5.5910 -4.9795 -4.9795 -4.6582 -4.6582 -4.2553 -4.2553 -2.2957 -2.2957 -2.1620 -2.1620 -1.2627 -1.2627 -1.2077 -1.2077 -0.2753 -0.2753 2.3453 2.3453 2.5456 2.5456 2.7599 2.7599 2.8014 2.8014 2.9226 2.9226 3.0828 3.0828 3.3497 3.3497 3.6207 3.6207 3.8616 3.8616 4.0639 4.0639 4.1975 4.1975 4.3864 4.3864 4.5725 4.5725 4.7141 4.7141 4.8605 4.8605 5.4879 5.4879 5.6370 5.6370 5.7688 5.7688 5.8895 5.8895 6.1591 6.1591 6.3810 6.3810 7.2376 7.2376 7.4258 7.4258 7.4332 7.4332 7.7194 7.7194 8.1915 8.1915 8.3018 8.3018 8.4297 8.4297 k = 0.1200 0.2078-0.0000 ( 7757 PWs) bands (ev): -6.3071 -6.3071 -6.1743 -6.1743 -5.9306 -5.9306 -5.6289 -5.6289 -5.0109 -5.0109 -4.6791 -4.6791 -4.2925 -4.2925 -2.2914 -2.2914 -2.1520 -2.1520 -1.2038 -1.2038 -1.1472 -1.1472 -0.2139 -0.2139 2.4393 2.4393 2.6348 2.6348 2.8657 2.8657 2.9017 2.9017 2.9791 2.9791 3.1351 3.1351 3.3882 3.3882 3.7267 3.7267 3.9591 3.9591 4.1265 4.1265 4.2516 4.2516 4.4457 4.4457 4.5890 4.5890 4.7960 4.7960 4.8702 4.8702 5.5501 5.5501 5.6849 5.6849 5.7932 5.7932 5.8917 5.8917 6.1877 6.1877 6.3519 6.3519 7.2515 7.2515 7.4020 7.4020 7.4115 7.4115 7.7580 7.7580 8.1222 8.1222 8.1956 8.1956 8.4008 8.4008 k = 0.1133 0.1963-0.0000 ( 7751 PWs) bands (ev): -6.3483 -6.3483 -6.2154 -6.2154 -5.9689 -5.9689 -5.6652 -5.6652 -5.0412 -5.0412 -4.6995 -4.6995 -4.3278 -4.3278 -2.2888 -2.2888 -2.1442 -2.1442 -1.1481 -1.1481 -1.0905 -1.0905 -0.1535 -0.1535 2.5381 2.5381 2.7265 2.7265 2.9464 2.9464 3.0022 3.0022 3.0694 3.0694 3.1931 3.1931 3.4238 3.4238 3.8316 3.8316 4.0512 4.0512 4.1898 4.1898 4.3065 4.3065 4.4950 4.4950 4.6214 4.6214 4.8602 4.8602 4.8910 4.8910 5.6142 5.6142 5.7298 5.7298 5.8201 5.8201 5.8935 5.8935 6.2075 6.2075 6.3183 6.3183 7.2636 7.2636 7.3751 7.3751 7.4089 7.4089 7.8034 7.8034 8.0350 8.0350 8.0834 8.0834 8.3725 8.3725 k = 0.1067 0.1848-0.0000 ( 7753 PWs) bands (ev): -6.3874 -6.3874 -6.2542 -6.2542 -6.0053 -6.0053 -5.6997 -5.6997 -5.0705 -5.0705 -4.7194 -4.7194 -4.3612 -4.3612 -2.2876 -2.2876 -2.1383 -2.1383 -1.0959 -1.0959 -1.0378 -1.0378 -0.0943 -0.0943 2.6408 2.6408 2.8203 2.8203 3.0024 3.0024 3.1117 3.1117 3.1815 3.1815 3.2569 3.2569 3.4603 3.4603 3.9320 3.9320 4.1318 4.1318 4.2561 4.2561 4.3635 4.3635 4.5400 4.5400 4.6670 4.6670 4.8767 4.8767 4.9528 4.9528 5.6779 5.6779 5.7553 5.7553 5.8648 5.8648 5.8972 5.8972 6.1912 6.1912 6.3124 6.3124 7.2630 7.2630 7.3484 7.3484 7.4281 7.4281 7.8454 7.8454 7.9291 7.9291 7.9837 7.9837 8.3433 8.3433 k = 0.1000 0.1732-0.0000 ( 7755 PWs) bands (ev): -6.4243 -6.4243 -6.2909 -6.2909 -6.0397 -6.0397 -5.7324 -5.7324 -5.0985 -5.0985 -4.7386 -4.7386 -4.3927 -4.3927 -2.2877 -2.2877 -2.1341 -2.1341 -1.0471 -1.0471 -0.9891 -0.9891 -0.0364 -0.0364 2.7467 2.7467 2.9154 2.9154 3.0553 3.0553 3.2185 3.2185 3.3009 3.3009 3.3241 3.3241 3.5058 3.5058 4.0246 4.0246 4.1961 4.1961 4.3280 4.3280 4.4213 4.4213 4.5903 4.5903 4.7198 4.7198 4.8859 4.8859 5.0167 5.0167 5.7271 5.7271 5.7703 5.7703 5.8974 5.8974 5.9358 5.9358 6.1351 6.1351 6.3427 6.3427 7.2499 7.2499 7.3226 7.3226 7.4624 7.4624 7.7926 7.7926 7.8526 7.8526 7.9443 7.9443 8.3137 8.3137 k = 0.0933 0.1617-0.0000 ( 7763 PWs) bands (ev): -6.4589 -6.4589 -6.3254 -6.3254 -6.0721 -6.0721 -5.7633 -5.7633 -5.1252 -5.1252 -4.7570 -4.7570 -4.4222 -4.4222 -2.2888 -2.2888 -2.1314 -2.1314 -1.0018 -1.0018 -0.9446 -0.9446 0.0201 0.0201 2.8541 2.8541 3.0112 3.0112 3.1114 3.1114 3.3138 3.3138 3.3851 3.3851 3.4277 3.4277 3.5734 3.5734 4.1063 4.1063 4.2457 4.2457 4.4037 4.4037 4.4765 4.4765 4.6522 4.6522 4.7753 4.7753 4.8978 4.8978 5.0757 5.0757 5.7257 5.7257 5.8165 5.8165 5.9073 5.9073 6.0099 6.0099 6.0659 6.0659 6.3880 6.3880 7.2293 7.2293 7.2975 7.2975 7.4962 7.4962 7.6716 7.6716 7.7700 7.7700 7.9805 7.9805 8.2847 8.2847 k = 0.0867 0.1501-0.0000 ( 7763 PWs) bands (ev): -6.4913 -6.4913 -6.3576 -6.3576 -6.1024 -6.1024 -5.7922 -5.7922 -5.1505 -5.1505 -4.7746 -4.7746 -4.4498 -4.4498 -2.2908 -2.2908 -2.1300 -2.1300 -0.9602 -0.9602 -0.9043 -0.9043 0.0747 0.0747 2.9601 2.9601 3.1074 3.1074 3.1733 3.1733 3.3814 3.3814 3.4558 3.4558 3.5555 3.5555 3.6685 3.6685 4.1751 4.1751 4.2868 4.2868 4.4766 4.4766 4.5285 4.5285 4.7261 4.7261 4.8285 4.8285 4.9180 4.9180 5.1303 5.1303 5.7018 5.7018 5.8600 5.8600 5.9231 5.9231 5.9927 5.9927 6.0943 6.0943 6.4412 6.4412 7.2023 7.2023 7.2730 7.2730 7.4964 7.4964 7.5650 7.5650 7.7018 7.7018 8.0143 8.0143 8.2586 8.2586 k = 0.0800 0.1386-0.0000 ( 7775 PWs) bands (ev): -6.5213 -6.5213 -6.3875 -6.3875 -6.1306 -6.1306 -5.8192 -5.8192 -5.1743 -5.1743 -4.7912 -4.7912 -4.4754 -4.4754 -2.2934 -2.2934 -2.1296 -2.1296 -0.9222 -0.9222 -0.8680 -0.8680 0.1272 0.1272 3.0592 3.0592 3.2044 3.2044 3.2436 3.2436 3.4181 3.4181 3.5466 3.5466 3.6860 3.6860 3.7823 3.7823 4.2298 4.2298 4.3258 4.3258 4.5372 4.5372 4.5823 4.5823 4.8076 4.8076 4.8692 4.8692 4.9566 4.9566 5.1827 5.1827 5.6691 5.6691 5.8482 5.8482 5.9490 5.9490 5.9656 5.9656 6.1742 6.1742 6.4984 6.4984 7.1657 7.1657 7.2481 7.2481 7.4183 7.4183 7.4980 7.4980 7.6842 7.6842 8.0214 8.0214 8.2376 8.2376 k = 0.0733 0.1270-0.0000 ( 7749 PWs) bands (ev): -6.5490 -6.5490 -6.4151 -6.4151 -6.1567 -6.1567 -5.8441 -5.8441 -5.1964 -5.1964 -4.8067 -4.8067 -4.4990 -4.4990 -2.2965 -2.2965 -2.1300 -2.1300 -0.8877 -0.8877 -0.8356 -0.8356 0.1773 0.1773 3.1441 3.1441 3.3003 3.3003 3.3271 3.3271 3.4466 3.4466 3.6471 3.6471 3.8176 3.8176 3.9049 3.9049 4.2709 4.2709 4.3664 4.3664 4.5842 4.5842 4.6371 4.6371 4.8859 4.8859 4.9022 4.9022 5.0133 5.0133 5.2352 5.2352 5.6314 5.6314 5.7769 5.7769 5.9665 5.9665 6.0027 6.0027 6.2492 6.2492 6.5546 6.5546 7.1132 7.1132 7.2200 7.2200 7.3391 7.3391 7.4291 7.4291 7.6966 7.6966 7.9872 7.9872 8.2070 8.2070 k = 0.0667 0.1155-0.0000 ( 7753 PWs) bands (ev): -6.5744 -6.5744 -6.4404 -6.4404 -6.1806 -6.1806 -5.8670 -5.8670 -5.2168 -5.2168 -4.8211 -4.8211 -4.5207 -4.5207 -2.2999 -2.2999 -2.1310 -2.1310 -0.8568 -0.8568 -0.8070 -0.8070 0.2247 0.2247 3.2092 3.2092 3.3898 3.3898 3.4243 3.4243 3.4848 3.4848 3.7527 3.7527 3.9487 3.9487 4.0295 4.0295 4.3021 4.3021 4.4090 4.4090 4.6254 4.6254 4.6851 4.6851 4.9103 4.9103 4.9848 4.9848 5.0733 5.0733 5.2892 5.2892 5.5917 5.5917 5.6917 5.6917 5.9937 5.9937 6.0419 6.0419 6.3122 6.3122 6.5999 6.5999 7.0481 7.0481 7.1838 7.1838 7.2939 7.2939 7.3699 7.3699 7.7006 7.7006 7.9117 7.9117 8.1287 8.1287 k = 0.0600 0.1039-0.0000 ( 7755 PWs) bands (ev): -6.5974 -6.5974 -6.4633 -6.4633 -6.2023 -6.2023 -5.8878 -5.8878 -5.2355 -5.2355 -4.8344 -4.8344 -4.5403 -4.5403 -2.3034 -2.3034 -2.1325 -2.1325 -0.8292 -0.8292 -0.7820 -0.7820 0.2689 0.2689 3.2533 3.2533 3.4761 3.4761 3.4995 3.4995 3.5680 3.5680 3.8617 3.8617 4.0773 4.0773 4.1501 4.1501 4.3284 4.3284 4.4525 4.4525 4.6667 4.6667 4.7236 4.7236 4.9278 4.9278 5.0706 5.0706 5.1285 5.1285 5.3401 5.3401 5.5529 5.5529 5.6085 5.6085 6.0273 6.0273 6.0736 6.0736 6.3546 6.3546 6.6200 6.6200 6.9930 6.9930 7.1437 7.1437 7.2799 7.2799 7.3300 7.3300 7.6714 7.6714 7.8054 7.8054 8.0509 8.0509 k = 0.0533 0.0924-0.0000 ( 7755 PWs) bands (ev): -6.6180 -6.6180 -6.4839 -6.4839 -6.2218 -6.2218 -5.9065 -5.9065 -5.2524 -5.2524 -4.8464 -4.8464 -4.5579 -4.5579 -2.3069 -2.3069 -2.1343 -2.1343 -0.8050 -0.8050 -0.7603 -0.7603 0.3096 0.3096 3.2797 3.2797 3.5544 3.5544 3.5643 3.5643 3.6856 3.6856 3.9721 3.9721 4.2001 4.2001 4.2569 4.2569 4.3582 4.3582 4.4969 4.4969 4.7120 4.7120 4.7534 4.7534 4.9452 4.9452 5.1421 5.1421 5.1847 5.1847 5.3705 5.3705 5.4982 5.4982 5.5652 5.5652 6.0547 6.0547 6.1025 6.1025 6.3670 6.3670 6.6080 6.6080 6.9664 6.9664 7.1146 7.1146 7.2864 7.2864 7.3072 7.3072 7.6009 7.6009 7.6830 7.6830 8.0117 8.0117 k = 0.0467 0.0808-0.0000 ( 7769 PWs) bands (ev): -6.6363 -6.6363 -6.5021 -6.5021 -6.2390 -6.2390 -5.9231 -5.9231 -5.2673 -5.2673 -4.8571 -4.8571 -4.5735 -4.5735 -2.3104 -2.3104 -2.1362 -2.1362 -0.7840 -0.7840 -0.7418 -0.7418 0.3464 0.3464 3.2937 3.2937 3.6180 3.6180 3.6460 3.6460 3.8093 3.8093 4.0815 4.0815 4.3038 4.3038 4.3362 4.3362 4.4107 4.4107 4.5435 4.5435 4.7619 4.7619 4.7794 4.7794 4.9629 4.9629 5.1834 5.1834 5.2509 5.2509 5.3625 5.3625 5.4271 5.4271 5.5856 5.5856 6.0453 6.0453 6.1477 6.1477 6.3443 6.3443 6.5845 6.5845 6.9588 6.9588 7.1051 7.1051 7.2860 7.2860 7.3100 7.3100 7.5092 7.5092 7.5661 7.5661 7.9990 7.9990 k = 0.0400 0.0693-0.0000 ( 7781 PWs) bands (ev): -6.6521 -6.6521 -6.5179 -6.5179 -6.2540 -6.2540 -5.9375 -5.9375 -5.2804 -5.2804 -4.8665 -4.8665 -4.5870 -4.5870 -2.3135 -2.3135 -2.1381 -2.1381 -0.7660 -0.7660 -0.7262 -0.7262 0.3791 0.3791 3.3002 3.3002 3.6834 3.6834 3.7258 3.7258 3.9324 3.9324 4.1858 4.1858 4.3483 4.3483 4.4251 4.4251 4.4811 4.4811 4.5956 4.5956 4.7867 4.7867 4.8340 4.8340 4.9808 4.9808 5.1965 5.1965 5.2959 5.2959 5.3330 5.3330 5.3934 5.3934 5.6308 5.6308 5.9941 5.9941 6.1978 6.1978 6.2987 6.2987 6.5751 6.5751 6.9492 6.9492 7.1070 7.1070 7.2572 7.2572 7.3207 7.3207 7.4256 7.4256 7.4984 7.4984 7.9835 7.9835 k = 0.0333 0.0577-0.0000 ( 7781 PWs) bands (ev): -6.6655 -6.6655 -6.5312 -6.5312 -6.2667 -6.2667 -5.9497 -5.9497 -5.2915 -5.2915 -4.8745 -4.8745 -4.5984 -4.5984 -2.3164 -2.3164 -2.1399 -2.1399 -0.7511 -0.7511 -0.7133 -0.7133 0.4072 0.4072 3.3026 3.3026 3.7482 3.7482 3.8013 3.8013 4.0506 4.0506 4.2739 4.2739 4.3812 4.3812 4.5044 4.5044 4.5439 4.5439 4.6563 4.6563 4.7968 4.7968 4.9011 4.9011 4.9984 4.9984 5.1653 5.1653 5.2843 5.2843 5.3311 5.3311 5.4303 5.4303 5.6777 5.6777 5.9114 5.9114 6.1824 6.1824 6.3048 6.3048 6.5829 6.5829 6.9208 6.9208 7.0941 7.0941 7.2175 7.2175 7.2842 7.2842 7.3995 7.3995 7.5082 7.5082 7.9289 7.9289 k = 0.0267 0.0462-0.0000 ( 7781 PWs) bands (ev): -6.6765 -6.6765 -6.5422 -6.5422 -6.2771 -6.2771 -5.9598 -5.9598 -5.3007 -5.3007 -4.8811 -4.8811 -4.6078 -4.6078 -2.3188 -2.3188 -2.1415 -2.1415 -0.7390 -0.7390 -0.7031 -0.7031 0.4306 0.4306 3.3030 3.3030 3.8086 3.8086 3.8705 3.8705 4.1593 4.1593 4.3237 4.3237 4.4385 4.4385 4.5629 4.5629 4.5981 4.5981 4.7223 4.7223 4.8024 4.8024 4.9507 4.9507 5.0151 5.0151 5.1081 5.1081 5.2762 5.2762 5.3556 5.3556 5.4876 5.4876 5.7144 5.7144 5.8127 5.8127 6.1076 6.1076 6.3629 6.3629 6.5947 6.5947 6.8648 6.8648 7.0453 7.0453 7.1925 7.1925 7.2641 7.2641 7.4142 7.4142 7.5534 7.5534 7.8432 7.8432 k = 0.0200 0.0346-0.0000 ( 7773 PWs) bands (ev): -6.6851 -6.6851 -6.5507 -6.5507 -6.2852 -6.2852 -5.9676 -5.9676 -5.3078 -5.3078 -4.8863 -4.8863 -4.6151 -4.6151 -2.3208 -2.3208 -2.1428 -2.1428 -0.7297 -0.7297 -0.6953 -0.6953 0.4491 0.4491 3.3023 3.3023 3.8608 3.8608 3.9311 3.9311 4.2528 4.2528 4.3426 4.3426 4.5098 4.5098 4.6029 4.6029 4.6542 4.6542 4.7728 4.7728 4.8162 4.8162 4.9525 4.9525 5.0275 5.0275 5.0625 5.0625 5.3002 5.3002 5.3936 5.3936 5.5411 5.5411 5.6963 5.6963 5.7470 5.7470 6.0374 6.0374 6.4158 6.4158 6.5916 6.5916 6.7984 6.7984 6.9877 6.9877 7.1854 7.1854 7.2918 7.2918 7.4293 7.4293 7.6021 7.6021 7.7555 7.7555 k = 0.0133 0.0231-0.0000 ( 7775 PWs) bands (ev): -6.6912 -6.6912 -6.5568 -6.5568 -6.2910 -6.2910 -5.9731 -5.9731 -5.3129 -5.3129 -4.8900 -4.8900 -4.6204 -4.6204 -2.3222 -2.3222 -2.1438 -2.1438 -0.7231 -0.7231 -0.6898 -0.6898 0.4624 0.4624 3.3015 3.3015 3.9012 3.9012 3.9793 3.9793 4.3252 4.3252 4.3509 4.3509 4.5701 4.5701 4.6298 4.6298 4.7156 4.7156 4.7793 4.7793 4.8604 4.8604 4.9133 4.9133 5.0207 5.0207 5.0458 5.0458 5.3532 5.3532 5.4354 5.4354 5.5761 5.5761 5.6167 5.6167 5.7279 5.7279 5.9988 5.9988 6.4475 6.4475 6.5585 6.5585 6.7566 6.7566 6.9455 6.9455 7.2045 7.2045 7.3386 7.3386 7.4238 7.4238 7.6373 7.6373 7.6909 7.6909 k = 0.0067 0.0115-0.0000 ( 7759 PWs) bands (ev): -6.6948 -6.6948 -6.5605 -6.5605 -6.2944 -6.2944 -5.9765 -5.9765 -5.3160 -5.3160 -4.8922 -4.8922 -4.6235 -4.6235 -2.3231 -2.3231 -2.1445 -2.1445 -0.7192 -0.7192 -0.6865 -0.6865 0.4704 0.4704 3.3008 3.3008 3.9268 3.9268 4.0110 4.0110 4.3546 4.3546 4.3712 4.3712 4.6119 4.6119 4.6462 4.6462 4.7704 4.7704 4.7733 4.7733 4.8695 4.8695 4.9050 4.9050 4.9939 4.9939 5.0472 5.0472 5.4060 5.4060 5.4730 5.4730 5.5362 5.5362 5.6206 5.6206 5.6829 5.6829 5.9952 5.9952 6.4573 6.4573 6.5115 6.5115 6.7465 6.7465 6.9233 6.9233 7.2441 7.2441 7.3777 7.3777 7.3941 7.3941 7.6449 7.6449 7.6696 7.6696 k = 0.0000 0.0000 0.0000 ( 7779 PWs) bands (ev): -6.6961 -6.6961 -6.5617 -6.5617 -6.2956 -6.2956 -5.9776 -5.9776 -5.3170 -5.3170 -4.8930 -4.8930 -4.6245 -4.6245 -2.3234 -2.3234 -2.1447 -2.1447 -0.7179 -0.7179 -0.6854 -0.6854 0.4731 0.4731 3.3006 3.3006 3.9355 3.9355 4.0221 4.0221 4.3559 4.3559 4.3869 4.3869 4.6289 4.6289 4.6510 4.6510 4.7697 4.7697 4.7965 4.7965 4.8481 4.8481 4.9290 4.9290 4.9748 4.9748 5.0480 5.0480 5.4251 5.4251 5.4930 5.4930 5.5181 5.5181 5.6286 5.6286 5.6535 5.6535 5.9995 5.9995 6.4593 6.4593 6.4883 6.4883 6.7468 6.7468 6.9168 6.9168 7.2779 7.2779 7.3479 7.3479 7.4093 7.4093 7.6485 7.6485 7.6613 7.6613 k = 0.0000 0.0000 0.0000 ( 7779 PWs) bands (ev): -6.6961 -6.6961 -6.5617 -6.5617 -6.2956 -6.2956 -5.9776 -5.9776 -5.3170 -5.3170 -4.8930 -4.8930 -4.6245 -4.6245 -2.3234 -2.3234 -2.1447 -2.1447 -0.7179 -0.7179 -0.6854 -0.6854 0.4731 0.4731 3.3006 3.3006 3.9355 3.9355 4.0221 4.0221 4.3559 4.3559 4.3869 4.3869 4.6289 4.6289 4.6510 4.6510 4.7697 4.7697 4.7965 4.7965 4.8481 4.8481 4.9290 4.9290 4.9748 4.9748 5.0480 5.0480 5.4251 5.4251 5.4930 5.4930 5.5181 5.5181 5.6286 5.6286 5.6535 5.6535 5.9995 5.9995 6.4593 6.4593 6.4883 6.4883 6.7468 6.7468 6.9168 6.9168 7.2779 7.2779 7.3479 7.3479 7.4093 7.4093 7.6485 7.6485 7.6613 7.6613 k = 0.0000 0.0000 0.0127 ( 7773 PWs) bands (ev): -6.6957 -6.6957 -6.5627 -6.5627 -6.2936 -6.2936 -5.9800 -5.9800 -5.3123 -5.3123 -4.9016 -4.9016 -4.6190 -4.6190 -2.3387 -2.3387 -2.1257 -2.1257 -0.7854 -0.7854 -0.6189 -0.6189 0.4694 0.4694 3.3055 3.3055 3.9119 3.9119 4.0421 4.0421 4.3554 4.3554 4.3856 4.3856 4.6004 4.6004 4.6824 4.6824 4.7697 4.7697 4.7978 4.7978 4.8480 4.8480 4.9291 4.9291 4.9756 4.9756 5.0479 5.0479 5.4220 5.4220 5.4940 5.4940 5.5039 5.5039 5.6271 5.6271 5.6683 5.6683 6.0002 6.0002 6.4553 6.4553 6.4865 6.4865 6.7505 6.7505 6.9209 6.9209 7.2698 7.2698 7.3439 7.3439 7.4196 7.4196 7.6197 7.6197 7.6875 7.6875 k = 0.0000 0.0000 0.0255 ( 7785 PWs) bands (ev): -6.6948 -6.6948 -6.5655 -6.5655 -6.2881 -6.2881 -5.9868 -5.9868 -5.2985 -5.2985 -4.9254 -4.9254 -4.6047 -4.6047 -2.3717 -2.3717 -2.0820 -2.0820 -0.8651 -0.8651 -0.5418 -0.5418 0.4587 0.4587 3.3199 3.3199 3.8657 3.8657 4.0777 4.0777 4.3536 4.3536 4.3822 4.3822 4.5680 4.5680 4.7229 4.7229 4.7697 4.7697 4.8019 4.8019 4.8480 4.8480 4.9294 4.9294 4.9788 4.9788 5.0474 5.0474 5.4078 5.4078 5.4787 5.4787 5.4970 5.4970 5.6229 5.6229 5.6998 5.6998 6.0022 6.0022 6.4444 6.4444 6.4815 6.4815 6.7608 6.7608 6.9324 6.9324 7.2513 7.2513 7.3327 7.3327 7.4443 7.4443 7.5848 7.5848 7.7154 7.7154 k = 0.0000 0.0000 0.0382 ( 7797 PWs) bands (ev): -6.6935 -6.6935 -6.5695 -6.5695 -6.2798 -6.2798 -5.9969 -5.9969 -5.2766 -5.2766 -4.9593 -4.9593 -4.5865 -4.5865 -2.4072 -2.4072 -2.0300 -2.0300 -0.9409 -0.9409 -0.4702 -0.4702 0.4426 0.4426 3.3427 3.3427 3.8136 3.8136 4.1133 4.1133 4.3493 4.3493 4.3778 4.3778 4.5410 4.5410 4.7596 4.7596 4.7697 4.7697 4.8090 4.8090 4.8479 4.8479 4.9299 4.9299 4.9866 4.9866 5.0467 5.0467 5.3745 5.3745 5.4641 5.4641 5.5018 5.5018 5.6166 5.6166 5.7341 5.7341 6.0052 6.0052 6.4293 6.4293 6.4745 6.4745 6.7750 6.7750 6.9495 6.9495 7.2307 7.2307 7.3164 7.3164 7.4744 7.4744 7.5512 7.5512 7.7390 7.7390 k = 0.0000 0.0000 0.0509 ( 7791 PWs) bands (ev): -6.6918 -6.6918 -6.5739 -6.5739 -6.2703 -6.2703 -6.0083 -6.0083 -5.2477 -5.2477 -4.9992 -4.9992 -4.5688 -4.5688 -2.4383 -2.4383 -1.9786 -1.9786 -1.0088 -1.0088 -0.4077 -0.4077 0.4236 0.4236 3.3722 3.3722 3.7606 3.7606 4.1457 4.1457 4.3410 4.3410 4.3743 4.3743 4.5204 4.5204 4.7697 4.7697 4.7862 4.7862 4.8198 4.8198 4.8479 4.8479 4.9304 4.9304 5.0024 5.0024 5.0459 5.0459 5.3283 5.3283 5.4597 5.4597 5.5076 5.5076 5.6089 5.6089 5.7651 5.7651 6.0084 6.0084 6.4132 6.4132 6.4669 6.4669 6.7902 6.7902 6.9693 6.9693 7.2122 7.2122 7.2976 7.2976 7.5043 7.5043 7.5214 7.5214 7.7582 7.7582 k = 0.0000 0.0000 0.0637 ( 7786 PWs) bands (ev): -6.6903 -6.6903 -6.5779 -6.5779 -6.2613 -6.2613 -6.0190 -6.0190 -5.2133 -5.2133 -5.0420 -5.0420 -4.5544 -4.5544 -2.4622 -2.4622 -1.9346 -1.9346 -1.0639 -1.0639 -0.3583 -0.3583 0.4053 0.4053 3.4047 3.4047 3.7110 3.7110 4.1731 4.1731 4.3295 4.3295 4.3725 4.3725 4.5062 4.5062 4.7697 4.7697 4.8010 4.8010 4.8315 4.8315 4.8478 4.8478 4.9308 4.9308 5.0278 5.0278 5.0452 5.0452 5.2794 5.2794 5.4590 5.4590 5.5137 5.5137 5.6013 5.6013 5.7896 5.7896 6.0112 6.0112 6.3990 6.3990 6.4604 6.4604 6.8036 6.8036 6.9882 6.9882 7.1979 7.1979 7.2798 7.2798 7.4977 7.4977 7.5296 7.5296 7.7726 7.7726 k = 0.0000 0.0000 0.0764 ( 7792 PWs) bands (ev): -6.6892 -6.6892 -6.5806 -6.5806 -6.2547 -6.2547 -6.0268 -6.0268 -5.1754 -5.1754 -5.0852 -5.0852 -4.5451 -4.5451 -2.4770 -2.4770 -1.9044 -1.9044 -1.1007 -1.1007 -0.3261 -0.3261 0.3919 0.3919 3.4333 3.4333 3.6720 3.6720 4.1929 4.1929 4.3185 4.3185 4.3717 4.3717 4.4980 4.4980 4.7697 4.7697 4.8086 4.8086 4.8385 4.8385 4.8478 4.8478 4.9311 4.9311 5.0447 5.0447 5.0572 5.0572 5.2366 5.2366 5.4591 5.4591 5.5186 5.5186 5.5953 5.5953 5.8053 5.8053 6.0132 6.0132 6.3893 6.3893 6.4560 6.4560 6.8128 6.8128 7.0021 7.0021 7.1890 7.1890 7.2667 7.2667 7.4823 7.4823 7.5468 7.5468 7.7816 7.7816 k = 0.0000 0.0000 0.0891 ( 7798 PWs) bands (ev): -6.6888 -6.6888 -6.5816 -6.5816 -6.2523 -6.2523 -6.0296 -6.0296 -5.1450 -5.1450 -5.1173 -5.1173 -4.5419 -4.5419 -2.4821 -2.4821 -1.8935 -1.8935 -1.1136 -1.1136 -0.3149 -0.3149 0.3869 0.3869 3.4458 3.4458 3.6560 3.6560 4.2005 4.2005 4.3137 4.3137 4.3716 4.3716 4.4953 4.4953 4.7696 4.7696 4.8111 4.8111 4.8406 4.8406 4.8477 4.8477 4.9312 4.9312 5.0446 5.0446 5.0726 5.0726 5.2171 5.2171 5.4592 5.4592 5.5205 5.5205 5.5931 5.5931 5.8107 5.8107 6.0139 6.0139 6.3858 6.3858 6.4545 6.4545 6.8161 6.8161 7.0073 7.0073 7.1859 7.1859 7.2618 7.2618 7.4770 7.4770 7.5529 7.5529 7.7846 7.7846 k = 0.0000 0.0000 0.0891 ( 7798 PWs) bands (ev): -6.6888 -6.6888 -6.5816 -6.5816 -6.2523 -6.2523 -6.0296 -6.0296 -5.1450 -5.1450 -5.1173 -5.1173 -4.5419 -4.5419 -2.4821 -2.4821 -1.8935 -1.8935 -1.1136 -1.1136 -0.3149 -0.3149 0.3869 0.3869 3.4458 3.4458 3.6560 3.6560 4.2005 4.2005 4.3137 4.3137 4.3716 4.3716 4.4953 4.4953 4.7696 4.7696 4.8111 4.8111 4.8406 4.8406 4.8477 4.8477 4.9312 4.9312 5.0446 5.0446 5.0726 5.0726 5.2171 5.2171 5.4592 5.4592 5.5205 5.5205 5.5931 5.5931 5.8107 5.8107 6.0139 6.0139 6.3858 6.3858 6.4545 6.4545 6.8161 6.8161 7.0073 7.0073 7.1859 7.1859 7.2618 7.2618 7.4770 7.4770 7.5529 7.5529 7.7846 7.7846 k = 0.0116 0.0067 0.0891 ( 7800 PWs) bands (ev): -6.6876 -6.6876 -6.5804 -6.5804 -6.2511 -6.2511 -6.0284 -6.0284 -5.1439 -5.1439 -5.1165 -5.1165 -4.5409 -4.5409 -2.4816 -2.4816 -1.8937 -1.8937 -1.1140 -1.1140 -0.3173 -0.3173 0.3849 0.3849 3.4433 3.4433 3.6532 3.6532 4.1872 4.1872 4.2982 4.2982 4.3713 4.3713 4.4900 4.4900 4.7705 4.7705 4.7838 4.7838 4.8079 4.8079 4.8473 4.8473 4.9419 4.9419 5.0082 5.0082 5.1313 5.1313 5.2356 5.2356 5.4389 5.4389 5.5206 5.5206 5.5740 5.5740 5.8243 5.8243 6.0163 6.0163 6.3915 6.3915 6.4740 6.4740 6.8108 6.8108 7.0181 7.0181 7.1493 7.1493 7.3068 7.3068 7.4244 7.4244 7.5874 7.5874 7.7890 7.7890 k = 0.0233 0.0134 0.0891 ( 7784 PWs) bands (ev): -6.6839 -6.6839 -6.5767 -6.5767 -6.2477 -6.2477 -6.0250 -6.0250 -5.1407 -5.1407 -5.1140 -5.1140 -4.5381 -4.5381 -2.4802 -2.4802 -1.8941 -1.8941 -1.1153 -1.1153 -0.3243 -0.3243 0.3787 0.3787 3.4358 3.4358 3.6448 3.6448 4.1483 4.1483 4.2536 4.2536 4.3702 4.3702 4.4738 4.4738 4.7163 4.7163 4.7440 4.7440 4.7798 4.7798 4.8308 4.8308 4.9415 4.9415 4.9968 4.9968 5.1930 5.1930 5.2817 5.2817 5.4112 5.4112 5.5056 5.5056 5.5404 5.5404 5.8259 5.8259 6.0493 6.0493 6.4022 6.4022 6.5205 6.5205 6.8008 6.8008 7.0390 7.0390 7.1196 7.1196 7.3111 7.3111 7.4018 7.4018 7.6198 7.6198 7.8006 7.8006 k = 0.0349 0.0201 0.0891 ( 7772 PWs) bands (ev): -6.6777 -6.6777 -6.5705 -6.5705 -6.2419 -6.2419 -6.0192 -6.0192 -5.1354 -5.1354 -5.1099 -5.1099 -4.5335 -4.5335 -2.4779 -2.4779 -1.8948 -1.8948 -1.1173 -1.1173 -0.3361 -0.3361 0.3684 0.3684 3.4234 3.4234 3.6313 3.6313 4.0856 4.0856 4.1862 4.1862 4.3675 4.3675 4.4445 4.4445 4.6290 4.6290 4.6803 4.6803 4.7791 4.7791 4.8022 4.8022 4.9306 4.9306 5.0013 5.0013 5.2034 5.2034 5.3133 5.3133 5.4316 5.4316 5.4928 5.4928 5.5134 5.5134 5.7990 5.7990 6.1194 6.1194 6.3953 6.3953 6.5766 6.5766 6.8013 6.8013 7.0403 7.0403 7.1436 7.1436 7.2386 7.2386 7.4469 7.4469 7.6399 7.6399 7.8103 7.8103 k = 0.0465 0.0269 0.0891 ( 7752 PWs) bands (ev): -6.6690 -6.6690 -6.5618 -6.5618 -6.2337 -6.2337 -6.0111 -6.0111 -5.1279 -5.1279 -5.1041 -5.1041 -4.5270 -4.5270 -2.4747 -2.4747 -1.8959 -1.8959 -1.1203 -1.1203 -0.3525 -0.3525 0.3540 0.3540 3.4066 3.4066 3.6132 3.6132 4.0011 4.0011 4.1054 4.1054 4.3602 4.3602 4.3954 4.3954 4.5423 4.5423 4.6127 4.6127 4.7399 4.7399 4.7959 4.7959 4.9172 4.9172 5.0025 5.0025 5.1649 5.1649 5.2966 5.2966 5.4529 5.4529 5.4946 5.4946 5.5636 5.5636 5.7731 5.7731 6.1932 6.1932 6.3573 6.3573 6.6164 6.6164 6.8347 6.8347 7.0454 7.0454 7.1289 7.1289 7.2547 7.2547 7.4589 7.4589 7.6546 7.6546 7.8250 7.8250 k = 0.0581 0.0336 0.0891 ( 7764 PWs) bands (ev): -6.6579 -6.6579 -6.5506 -6.5506 -6.2233 -6.2233 -6.0008 -6.0008 -5.1183 -5.1183 -5.0967 -5.0967 -4.5186 -4.5186 -2.4707 -2.4707 -1.8974 -1.8974 -1.1244 -1.1244 -0.3736 -0.3736 0.3356 0.3356 3.3854 3.3854 3.5913 3.5913 3.9001 3.9001 4.0160 4.0160 4.3067 4.3067 4.3565 4.3565 4.4727 4.4727 4.5432 4.5432 4.6802 4.6802 4.7904 4.7904 4.8923 4.8923 4.9920 4.9920 5.1204 5.1204 5.2581 5.2581 5.4255 5.4255 5.5359 5.5359 5.6491 5.6491 5.7760 5.7760 6.2313 6.2313 6.3049 6.3049 6.6267 6.6267 6.9038 6.9038 7.0542 7.0542 7.1103 7.1103 7.3386 7.3386 7.4423 7.4423 7.6447 7.6447 7.8633 7.8633 k = 0.0698 0.0403 0.0891 ( 7768 PWs) bands (ev): -6.6443 -6.6443 -6.5370 -6.5370 -6.2106 -6.2106 -5.9882 -5.9882 -5.1067 -5.1067 -5.0877 -5.0877 -4.5084 -4.5084 -2.4660 -2.4660 -1.8995 -1.8995 -1.1296 -1.1296 -0.3994 -0.3994 0.3131 0.3131 3.3598 3.3598 3.5660 3.5660 3.7898 3.7898 3.9173 3.9173 4.2053 4.2053 4.3344 4.3344 4.4150 4.4150 4.4749 4.4749 4.6150 4.6150 4.7628 4.7628 4.8524 4.8524 4.9605 4.9605 5.0989 5.0989 5.2302 5.2302 5.3881 5.3881 5.5908 5.5908 5.6846 5.6846 5.8408 5.8408 6.1805 6.1805 6.2795 6.2795 6.6411 6.6411 6.9482 6.9482 7.0610 7.0610 7.1801 7.1801 7.3956 7.3956 7.4474 7.4474 7.6171 7.6171 7.8987 7.8987 k = 0.0814 0.0470 0.0891 ( 7774 PWs) bands (ev): -6.6283 -6.6283 -6.5210 -6.5210 -6.1956 -6.1956 -5.9733 -5.9733 -5.0931 -5.0931 -5.0772 -5.0772 -4.4964 -4.4964 -2.4606 -2.4606 -1.9021 -1.9021 -1.1362 -1.1362 -0.4299 -0.4299 0.2866 0.2866 3.3294 3.3294 3.5363 3.5363 3.6776 3.6776 3.8084 3.8084 4.0975 4.0975 4.2968 4.2968 4.3517 4.3517 4.4161 4.4161 4.5493 4.5493 4.7006 4.7006 4.8119 4.8119 4.9085 4.9085 5.1045 5.1045 5.2203 5.2203 5.3529 5.3529 5.6333 5.6333 5.6998 5.6998 5.9204 5.9204 6.1006 6.1006 6.2384 6.2384 6.6812 6.6812 6.9357 6.9357 7.1112 7.1112 7.2948 7.2948 7.3786 7.3786 7.4969 7.4969 7.6181 7.6181 7.9049 7.9049 k = 0.0930 0.0537 0.0891 ( 7782 PWs) bands (ev): -6.6099 -6.6099 -6.5025 -6.5025 -6.1783 -6.1783 -5.9562 -5.9562 -5.0775 -5.0775 -5.0650 -5.0650 -4.4826 -4.4826 -2.4546 -2.4546 -1.9055 -1.9055 -1.1443 -1.1443 -0.4650 -0.4650 0.2562 0.2562 3.2926 3.2926 3.4948 3.4948 3.5751 3.5751 3.6912 3.6912 3.9923 3.9923 4.2358 4.2358 4.2768 4.2768 4.3687 4.3687 4.4839 4.4839 4.6256 4.6256 4.7570 4.7570 4.8600 4.8600 5.1200 5.1200 5.2234 5.2234 5.3238 5.3238 5.6432 5.6432 5.7325 5.7325 5.9208 5.9208 6.0627 6.0627 6.1983 6.1983 6.7353 6.7353 6.9119 6.9119 7.1655 7.1655 7.3424 7.3424 7.4275 7.4275 7.5083 7.5083 7.6889 7.6889 7.9005 7.9005 k = 0.1047 0.0604 0.0891 ( 7772 PWs) bands (ev): -6.5890 -6.5890 -6.4816 -6.4816 -6.1588 -6.1588 -5.9368 -5.9368 -5.0601 -5.0601 -5.0513 -5.0513 -4.4669 -4.4669 -2.4481 -2.4481 -1.9098 -1.9098 -1.1541 -1.1541 -0.5047 -0.5047 0.2221 0.2221 3.2459 3.2459 3.4213 3.4213 3.4988 3.4988 3.5778 3.5778 3.8918 3.8918 4.1471 4.1471 4.2011 4.2011 4.3198 4.3198 4.4189 4.4189 4.5610 4.5610 4.6790 4.6790 4.8254 4.8254 5.1292 5.1292 5.2358 5.2358 5.3036 5.3036 5.6334 5.6334 5.7527 5.7527 5.8526 5.8526 6.0262 6.0262 6.2175 6.2175 6.7839 6.7839 6.8940 6.8940 7.2126 7.2126 7.3354 7.3354 7.4330 7.4330 7.6253 7.6253 7.7735 7.7735 7.9082 7.9082 k = 0.1163 0.0671 0.0891 ( 7782 PWs) bands (ev): -6.5657 -6.5657 -6.4582 -6.4582 -6.1371 -6.1371 -5.9153 -5.9153 -5.0413 -5.0413 -5.0358 -5.0358 -4.4495 -4.4495 -2.4412 -2.4412 -1.9151 -1.9151 -1.1658 -1.1658 -0.5489 -0.5489 0.1844 0.1844 3.1820 3.1820 3.3340 3.3340 3.4008 3.4008 3.5094 3.5094 3.7962 3.7962 4.0397 4.0397 4.1243 4.1243 4.2610 4.2610 4.3568 4.3568 4.5115 4.5115 4.5914 4.5914 4.7955 4.7955 5.1228 5.1228 5.2538 5.2538 5.2931 5.2931 5.6136 5.6136 5.6971 5.6971 5.8238 5.8238 5.9810 5.9810 6.2558 6.2558 6.7960 6.7960 6.9057 6.9057 7.2501 7.2501 7.3369 7.3369 7.4359 7.4359 7.7480 7.7480 7.8485 7.8485 7.9552 7.9552 k = 0.1279 0.0738 0.0891 ( 7760 PWs) bands (ev): -6.5400 -6.5400 -6.4325 -6.4325 -6.1132 -6.1132 -5.8916 -5.8916 -5.0223 -5.0223 -5.0171 -5.0171 -4.4303 -4.4303 -2.4342 -2.4342 -1.9217 -1.9217 -1.1797 -1.1797 -0.5977 -0.5977 0.1432 0.1432 3.0951 3.0951 3.2574 3.2574 3.2764 3.2764 3.4738 3.4738 3.7062 3.7062 3.9239 3.9239 4.0436 4.0436 4.1933 4.1933 4.2989 4.2989 4.4648 4.4648 4.5092 4.5092 4.7654 4.7654 5.1023 5.1023 5.2587 5.2587 5.2950 5.2950 5.5817 5.5817 5.6226 5.6226 5.7767 5.7767 5.9821 5.9821 6.2690 6.2690 6.7649 6.7649 6.9501 6.9501 7.2846 7.2846 7.3505 7.3505 7.4643 7.4643 7.8082 7.8082 7.9261 7.9261 8.0573 8.0573 k = 0.1395 0.0806 0.0891 ( 7752 PWs) bands (ev): -6.5120 -6.5120 -6.4044 -6.4044 -6.0871 -6.0871 -5.8658 -5.8658 -5.0040 -5.0040 -4.9949 -4.9949 -4.4093 -4.4093 -2.4271 -2.4271 -1.9298 -1.9298 -1.1959 -1.1959 -0.6508 -0.6508 0.0989 0.0989 2.9895 2.9895 3.1458 3.1458 3.1951 3.1951 3.4403 3.4403 3.6255 3.6255 3.8066 3.8066 3.9593 3.9593 4.1218 4.1218 4.2419 4.2419 4.3941 4.3941 4.4581 4.4581 4.7342 4.7342 5.0718 5.0718 5.2271 5.2271 5.3081 5.3081 5.5429 5.5429 5.5761 5.5761 5.7027 5.7027 6.0143 6.0143 6.2478 6.2478 6.7144 6.7144 7.0026 7.0026 7.3258 7.3258 7.3749 7.3749 7.5116 7.5116 7.8363 7.8363 7.9878 7.9878 8.1839 8.1839 k = 0.1512 0.0873 0.0891 ( 7750 PWs) bands (ev): -6.4816 -6.4816 -6.3740 -6.3740 -6.0589 -6.0589 -5.8379 -5.8379 -4.9849 -4.9849 -4.9705 -4.9705 -4.3865 -4.3865 -2.4201 -2.4201 -1.9396 -1.9396 -1.2147 -1.2147 -0.7082 -0.7082 0.0516 0.0516 2.8732 2.8732 3.0235 3.0235 3.1301 3.1301 3.3964 3.3964 3.5607 3.5607 3.6943 3.6943 3.8721 3.8721 4.0500 4.0500 4.1818 4.1818 4.3141 4.3141 4.4231 4.4231 4.7020 4.7020 5.0309 5.0309 5.1642 5.1642 5.3180 5.3180 5.5132 5.5132 5.5515 5.5515 5.6282 5.6282 6.0523 6.0523 6.1969 6.1969 6.6547 6.6547 7.0550 7.0550 7.3545 7.3545 7.4253 7.4253 7.5741 7.5741 7.8577 7.8577 8.0307 8.0307 8.2804 8.2804 k = 0.1628 0.0940 0.0891 ( 7746 PWs) bands (ev): -6.4489 -6.4489 -6.3412 -6.3412 -6.0286 -6.0286 -5.8080 -5.8080 -4.9649 -4.9649 -4.9445 -4.9445 -4.3620 -4.3620 -2.4135 -2.4135 -1.9515 -1.9515 -1.2363 -1.2363 -0.7697 -0.7697 0.0017 0.0017 2.7505 2.7505 2.9083 2.9083 3.0595 3.0595 3.3376 3.3376 3.5098 3.5098 3.5961 3.5961 3.7837 3.7837 3.9792 3.9792 4.1160 4.1160 4.2409 4.2409 4.3889 4.3889 4.6689 4.6689 4.9715 4.9715 5.0942 5.0942 5.3215 5.3215 5.4579 5.4579 5.5591 5.5591 5.5732 5.5732 6.0762 6.0762 6.1367 6.1367 6.5913 6.5913 7.1056 7.1056 7.3583 7.3583 7.5029 7.5029 7.6511 7.6511 7.8713 7.8713 8.0642 8.0642 8.3104 8.3104 k = 0.1744 0.1007 0.0891 ( 7736 PWs) bands (ev): -6.4139 -6.4139 -6.3061 -6.3061 -5.9963 -5.9963 -5.7761 -5.7761 -4.9439 -4.9439 -4.9171 -4.9171 -4.3358 -4.3358 -2.4074 -2.4074 -1.9656 -1.9656 -1.2607 -1.2607 -0.8351 -0.8351 -0.0507 -0.0507 2.6248 2.6248 2.7998 2.7998 2.9804 2.9804 3.2718 3.2718 3.4444 3.4444 3.5320 3.5320 3.6985 3.6985 3.9101 3.9101 4.0449 4.0449 4.1766 4.1766 4.3527 4.3527 4.6344 4.6344 4.8883 4.8883 5.0384 5.0384 5.3124 5.3124 5.3913 5.3913 5.5182 5.5182 5.5974 5.5974 6.0150 6.0150 6.1435 6.1435 6.5284 6.5284 7.1543 7.1543 7.3485 7.3485 7.5857 7.5857 7.7429 7.7429 7.8719 7.8719 8.0928 8.0928 8.3036 8.3036 k = 0.1860 0.1074 0.0891 ( 7736 PWs) bands (ev): -6.3767 -6.3767 -6.2688 -6.2688 -5.9620 -5.9620 -5.7422 -5.7422 -4.9221 -4.9221 -4.8884 -4.8884 -4.3078 -4.3078 -2.4020 -2.4020 -1.9824 -1.9824 -1.2880 -1.2880 -0.9042 -0.9042 -0.1052 -0.1052 2.4989 2.4989 2.6954 2.6954 2.8942 2.8942 3.2065 3.2065 3.3600 3.3600 3.4869 3.4869 3.6297 3.6297 3.8429 3.8429 3.9717 3.9717 4.1193 4.1193 4.3139 4.3139 4.5960 4.5960 4.7935 4.7935 4.9944 4.9944 5.2655 5.2655 5.3497 5.3497 5.4798 5.4798 5.6318 5.6318 5.9184 5.9184 6.1715 6.1715 6.4698 6.4698 7.2003 7.2003 7.3312 7.3312 7.6631 7.6631 7.8339 7.8339 7.8723 7.8723 8.1058 8.1058 8.3010 8.3010 k = 0.1977 0.1141 0.0891 ( 7736 PWs) bands (ev): -6.3372 -6.3372 -6.2292 -6.2292 -5.9257 -5.9257 -5.7065 -5.7065 -4.8994 -4.8994 -4.8586 -4.8586 -4.2781 -4.2781 -2.3977 -2.3977 -2.0021 -2.0021 -1.3184 -1.3184 -0.9767 -0.9767 -0.1617 -0.1617 2.3748 2.3748 2.5917 2.5917 2.8064 2.8064 3.1432 3.1432 3.2756 3.2756 3.4207 3.4207 3.5950 3.5950 3.7777 3.7777 3.8997 3.8997 4.0660 4.0660 4.2724 4.2724 4.5486 4.5486 4.7027 4.7027 4.9547 4.9547 5.1869 5.1869 5.3311 5.3311 5.4466 5.4466 5.6653 5.6653 5.8167 5.8167 6.1907 6.1907 6.4218 6.4218 7.2377 7.2377 7.3144 7.3144 7.7316 7.7316 7.8252 7.8252 7.9661 7.9661 8.0933 8.0933 8.3275 8.3275 k = 0.2093 0.1208 0.0891 ( 7724 PWs) bands (ev): -6.2955 -6.2955 -6.1875 -6.1875 -5.8876 -5.8876 -5.6690 -5.6690 -4.8760 -4.8760 -4.8280 -4.8280 -4.2467 -4.2467 -2.3947 -2.3947 -2.0250 -2.0250 -1.3517 -1.3517 -1.0522 -1.0522 -0.2198 -0.2198 2.2542 2.2542 2.4855 2.4855 2.7236 2.7236 3.0787 3.0787 3.1965 3.1965 3.3358 3.3358 3.5864 3.5864 3.7151 3.7151 3.8314 3.8314 4.0151 4.0151 4.2288 4.2288 4.4847 4.4847 4.6274 4.6274 4.9156 4.9156 5.1021 5.1021 5.3110 5.3110 5.4185 5.4185 5.6887 5.6887 5.7230 5.7230 6.1896 6.1896 6.3943 6.3943 7.2424 7.2424 7.3237 7.3237 7.7720 7.7720 7.8126 7.8126 8.0189 8.0189 8.1200 8.1200 8.3773 8.3773 k = 0.2209 0.1276 0.0891 ( 7722 PWs) bands (ev): -6.2517 -6.2517 -6.1436 -6.1436 -5.8476 -5.8476 -5.6298 -5.6298 -4.8521 -4.8521 -4.7967 -4.7967 -4.2136 -4.2136 -2.3932 -2.3932 -2.0515 -2.0515 -1.3880 -1.3880 -1.1304 -1.1304 -0.2795 -0.2795 2.1382 2.1382 2.3754 2.3754 2.6504 2.6504 3.0095 3.0095 3.1215 3.1215 3.2498 3.2498 3.5855 3.5855 3.6566 3.6566 3.7695 3.7695 3.9655 3.9655 4.1833 4.1833 4.4050 4.4050 4.5679 4.5679 4.8757 4.8757 5.0180 5.0180 5.2843 5.2843 5.3945 5.3945 5.6168 5.6168 5.7250 5.7250 6.1624 6.1624 6.3929 6.3929 7.2152 7.2152 7.3592 7.3592 7.7409 7.7409 7.8575 7.8575 7.9853 7.9853 8.2257 8.2257 8.4370 8.4370 k = 0.2326 0.1343 0.0891 ( 7726 PWs) bands (ev): -6.2058 -6.2058 -6.0976 -6.0976 -5.8059 -5.8059 -5.5889 -5.5889 -4.8278 -4.8278 -4.7651 -4.7651 -4.1787 -4.1787 -2.3935 -2.3935 -2.0818 -2.0818 -1.4270 -1.4270 -1.2109 -1.2109 -0.3405 -0.3405 2.0276 2.0276 2.2621 2.2621 2.5885 2.5885 2.9340 2.9340 3.0441 3.0441 3.1758 3.1758 3.5706 3.5706 3.6113 3.6113 3.7200 3.7200 3.9167 3.9167 4.1361 4.1361 4.3196 4.3196 4.5139 4.5139 4.8341 4.8341 4.9375 4.9375 5.2513 5.2513 5.3711 5.3711 5.5336 5.5336 5.7420 5.7420 6.1173 6.1173 6.4089 6.4089 7.1791 7.1791 7.3987 7.3987 7.6986 7.6986 7.8958 7.8958 7.9525 7.9525 8.3284 8.3284 8.5009 8.5009 k = 0.2442 0.1410 0.0891 ( 7732 PWs) bands (ev): -6.1578 -6.1578 -6.0496 -6.0496 -5.7626 -5.7626 -5.5466 -5.5466 -4.8033 -4.8033 -4.7333 -4.7333 -4.1421 -4.1421 -2.3960 -2.3960 -2.1160 -2.1160 -1.4688 -1.4688 -1.2930 -1.2930 -0.4027 -0.4027 1.9228 1.9228 2.1475 2.1475 2.5375 2.5375 2.8523 2.8523 2.9611 2.9611 3.1193 3.1193 3.5253 3.5253 3.5805 3.5805 3.6945 3.6945 3.8685 3.8685 4.0866 4.0866 4.2374 4.2374 4.4561 4.4561 4.7900 4.7900 4.8631 4.8631 5.2139 5.2139 5.3437 5.3437 5.4657 5.4657 5.7514 5.7514 6.0643 6.0643 6.4312 6.4312 7.1411 7.1411 7.4360 7.4360 7.6571 7.6571 7.8826 7.8826 7.9683 7.9683 8.4037 8.4037 8.5714 8.5714 k = 0.2558 0.1477 0.0891 ( 7734 PWs) bands (ev): -6.1079 -6.1079 -5.9996 -5.9996 -5.7177 -5.7177 -5.5028 -5.5028 -4.7787 -4.7787 -4.7017 -4.7017 -4.1038 -4.1038 -2.4010 -2.4010 -2.1542 -2.1542 -1.5134 -1.5134 -1.3762 -1.3762 -0.4661 -0.4661 1.8244 1.8244 2.0340 2.0340 2.4958 2.4958 2.7647 2.7647 2.8779 2.8779 3.0763 3.0763 3.4726 3.4726 3.5385 3.5385 3.6921 3.6921 3.8218 3.8218 4.0337 4.0337 4.1638 4.1638 4.3900 4.3900 4.7428 4.7428 4.7976 4.7976 5.1737 5.1737 5.3095 5.3095 5.4166 5.4166 5.7517 5.7517 6.0086 6.0086 6.4531 6.4531 7.1049 7.1049 7.4678 7.4678 7.6222 7.6222 7.8482 7.8482 8.0038 8.0038 8.4415 8.4415 8.6486 8.6486 k = 0.2674 0.1544 0.0891 ( 7718 PWs) bands (ev): -6.0561 -6.0561 -5.9477 -5.9477 -5.6714 -5.6714 -5.4578 -5.4578 -4.7543 -4.7543 -4.6707 -4.6707 -4.0637 -4.0637 -2.4088 -2.4088 -2.1962 -2.1962 -1.5612 -1.5612 -1.4592 -1.4592 -0.5306 -0.5306 1.7323 1.7323 1.9235 1.9235 2.4603 2.4603 2.6737 2.6737 2.8003 2.8003 3.0416 3.0416 3.4205 3.4205 3.4902 3.4902 3.6925 3.6925 3.7813 3.7813 3.9769 3.9769 4.1022 4.1022 4.3145 4.3145 4.6914 4.6914 4.7425 4.7425 5.1330 5.1330 5.2716 5.2716 5.3819 5.3819 5.7423 5.7423 5.9522 5.9522 6.4706 6.4706 7.0736 7.0736 7.4889 7.4889 7.6008 7.6008 7.8152 7.8152 8.0367 8.0367 8.4516 8.4516 8.7179 8.7179 k = 0.2791 0.1611 0.0891 ( 7722 PWs) bands (ev): -6.0025 -6.0025 -5.8940 -5.8940 -5.6238 -5.6238 -5.4116 -5.4116 -4.7304 -4.7304 -4.6406 -4.6406 -4.0220 -4.0220 -2.4199 -2.4199 -2.2416 -2.2416 -1.6134 -1.6134 -1.5402 -1.5402 -0.5960 -0.5960 1.6463 1.6463 1.8181 1.8181 2.4245 2.4245 2.5870 2.5870 2.7302 2.7302 3.0117 3.0117 3.3704 3.3704 3.4413 3.4413 3.6723 3.6723 3.7596 3.7596 3.9181 3.9181 4.0521 4.0521 4.2331 4.2331 4.6359 4.6359 4.6973 4.6973 5.0943 5.0943 5.2354 5.2354 5.3534 5.3534 5.7233 5.7233 5.8963 5.8963 6.4812 6.4812 7.0494 7.0494 7.4942 7.4942 7.5998 7.5998 7.7861 7.7861 8.0649 8.0649 8.4460 8.4460 8.7536 8.7536 k = 0.2907 0.1678 0.0891 ( 7730 PWs) bands (ev): -5.9471 -5.9471 -5.8386 -5.8386 -5.5750 -5.5750 -5.3645 -5.3645 -4.7070 -4.7070 -4.6118 -4.6118 -3.9786 -3.9786 -2.4349 -2.4349 -2.2898 -2.2898 -1.6735 -1.6735 -1.6148 -1.6148 -0.6624 -0.6624 1.5655 1.5655 1.7198 1.7198 2.3736 2.3736 2.5208 2.5208 2.6680 2.6680 2.9846 2.9846 3.3229 3.3229 3.3939 3.3939 3.6281 3.6281 3.7530 3.7530 3.8613 3.8613 4.0071 4.0071 4.1550 4.1550 4.5779 4.5779 4.6591 4.6591 5.0598 5.0598 5.2034 5.2034 5.3256 5.3256 5.6954 5.6954 5.8413 5.8413 6.4841 6.4841 7.0328 7.0328 7.4900 7.4900 7.6140 7.6140 7.7617 7.7617 8.0882 8.0882 8.4302 8.4302 8.7317 8.7317 k = 0.3023 0.1745 0.0891 ( 7742 PWs) bands (ev): -5.8900 -5.8900 -5.7815 -5.7815 -5.5252 -5.5252 -5.3166 -5.3166 -4.6845 -4.6845 -4.5848 -4.5848 -3.9335 -3.9335 -2.4550 -2.4550 -2.3395 -2.3395 -1.7442 -1.7442 -1.6796 -1.6796 -0.7297 -0.7297 1.4885 1.4885 1.6309 1.6309 2.2973 2.2973 2.4850 2.4850 2.6151 2.6151 2.9587 2.9587 3.2782 3.2782 3.3489 3.3489 3.5740 3.5740 3.7393 3.7393 3.8112 3.8112 3.9536 3.9536 4.0990 4.0990 4.5186 4.5186 4.6258 4.6258 5.0303 5.0303 5.1756 5.1756 5.2956 5.2956 5.6602 5.6602 5.7880 5.7880 6.4801 6.4801 7.0220 7.0220 7.4871 7.4871 7.6329 7.6329 7.7432 7.7432 8.1066 8.1066 8.4055 8.4055 8.6732 8.6732 k = 0.3140 0.1813 0.0891 ( 7746 PWs) bands (ev): -5.8315 -5.8315 -5.7229 -5.7229 -5.4746 -5.4746 -5.2682 -5.2682 -4.6632 -4.6632 -4.5600 -4.5600 -3.8869 -3.8869 -2.4821 -2.4821 -2.3884 -2.3884 -1.8214 -1.8214 -1.7377 -1.7377 -0.7977 -0.7977 1.4137 1.4137 1.5536 1.5536 2.2072 2.2072 2.4646 2.4646 2.5759 2.5759 2.9328 2.9328 3.2369 3.2369 3.3067 3.3067 3.5165 3.5165 3.7033 3.7033 3.7714 3.7714 3.8861 3.8861 4.0776 4.0776 4.4590 4.4590 4.5958 4.5958 5.0060 5.0060 5.1511 5.1511 5.2616 5.2616 5.6199 5.6199 5.7370 5.7370 6.4712 6.4712 7.0140 7.0140 7.4896 7.4896 7.6516 7.6516 7.7325 7.7325 8.1202 8.1202 8.3693 8.3693 8.6026 8.6026 k = 0.3256 0.1880 0.0891 ( 7734 PWs) bands (ev): -5.7716 -5.7716 -5.6628 -5.6628 -5.4234 -5.4234 -5.2195 -5.2195 -4.6433 -4.6433 -4.5378 -4.5378 -3.8388 -3.8388 -2.5186 -2.5186 -2.4337 -2.4337 -1.8993 -1.8993 -1.7937 -1.7937 -0.8664 -0.8664 1.3401 1.3401 1.4890 1.4890 2.1145 2.1145 2.4415 2.4415 2.5579 2.5579 2.9056 2.9056 3.1993 3.1993 3.2679 3.2679 3.4582 3.4582 3.6430 3.6430 3.7336 3.7336 3.8239 3.8239 4.0806 4.0806 4.3998 4.3998 4.5682 4.5682 4.9860 4.9860 5.1280 5.1280 5.2235 5.2235 5.5774 5.5774 5.6891 5.6891 6.4596 6.4596 7.0060 7.0060 7.4962 7.4962 7.6692 7.6692 7.7318 7.7318 8.1282 8.1282 8.3173 8.3173 8.5371 8.5371 k = 0.3372 0.1947 0.0891 ( 7734 PWs) bands (ev): -5.7104 -5.7104 -5.6016 -5.6016 -5.3718 -5.3718 -5.1708 -5.1708 -4.6252 -4.6252 -4.5188 -4.5188 -3.7895 -3.7895 -2.5650 -2.5650 -2.4746 -2.4746 -1.9749 -1.9749 -1.8495 -1.8495 -0.9356 -0.9356 1.2683 1.2683 1.4363 1.4363 2.0245 2.0245 2.4109 2.4109 2.5614 2.5614 2.8760 2.8760 3.1653 3.1653 3.2329 3.2329 3.4004 3.4004 3.5632 3.5632 3.6919 3.6919 3.7803 3.7803 4.0961 4.0961 4.3417 4.3417 4.5426 4.5426 4.9687 4.9687 5.1014 5.1014 5.1852 5.1852 5.5359 5.5359 5.6452 5.6452 6.4471 6.4471 6.9962 6.9962 7.5023 7.5023 7.6867 7.6867 7.7436 7.7436 8.1260 8.1260 8.2515 8.2515 8.4862 8.4862 k = 0.3488 0.2014 0.0891 ( 7750 PWs) bands (ev): -5.6481 -5.6481 -5.5392 -5.5392 -5.3200 -5.3200 -5.1225 -5.1225 -4.6092 -4.6092 -4.5033 -4.5033 -3.7392 -3.7392 -2.6182 -2.6182 -2.5137 -2.5137 -2.0461 -2.0461 -1.9056 -1.9056 -1.0051 -1.0051 1.1997 1.1997 1.3931 1.3931 1.9400 1.9400 2.3777 2.3777 2.5789 2.5789 2.8434 2.8434 3.1345 3.1345 3.2027 3.2027 3.3431 3.3431 3.4724 3.4724 3.6514 3.6514 3.7495 3.7495 4.1168 4.1168 4.2856 4.2856 4.5188 4.5188 4.9508 4.9508 5.0630 5.0630 5.1567 5.1567 5.4981 5.4981 5.6055 5.6055 6.4349 6.4349 6.9842 6.9842 7.5041 7.5041 7.7018 7.7018 7.7719 7.7719 8.0923 8.0923 8.1990 8.1990 8.4489 8.4489 k = 0.3605 0.2081 0.0891 ( 7750 PWs) bands (ev): -5.5850 -5.5850 -5.4759 -5.4759 -5.2684 -5.2684 -5.0748 -5.0748 -4.5956 -4.5956 -4.4919 -4.4919 -3.6882 -3.6882 -2.6742 -2.6742 -2.5543 -2.5543 -2.1112 -2.1112 -1.9622 -1.9622 -1.0746 -1.0746 1.1358 1.1358 1.3567 1.3567 1.8638 1.8638 2.3463 2.3463 2.6042 2.6042 2.8076 2.8076 3.1054 3.1054 3.1781 3.1781 3.2842 3.2842 3.3826 3.3826 3.6146 3.6146 3.7247 3.7247 4.1372 4.1372 4.2337 4.2337 4.4967 4.4967 4.9231 4.9231 5.0174 5.0174 5.1422 5.1422 5.4653 5.4653 5.5709 5.5709 6.4234 6.4234 6.9703 6.9703 7.5007 7.5007 7.7111 7.7111 7.8170 7.8170 8.0135 8.0135 8.1832 8.1832 8.4201 8.4201 k = 0.3721 0.2148 0.0891 ( 7754 PWs) bands (ev): -5.5212 -5.5212 -5.4119 -5.4119 -5.2172 -5.2172 -5.0284 -5.0284 -4.5850 -4.5850 -4.4850 -4.4850 -3.6369 -3.6369 -2.7302 -2.7302 -2.5985 -2.5985 -2.1688 -2.1688 -2.0191 -2.0191 -1.1437 -1.1437 1.0777 1.0777 1.3241 1.3241 1.7986 1.7986 2.3183 2.3183 2.6323 2.6323 2.7693 2.7693 3.0764 3.0764 3.1599 3.1599 3.2190 3.2190 3.3063 3.3063 3.5813 3.5813 3.7035 3.7035 4.1427 4.1427 4.1984 4.1984 4.4763 4.4763 4.8695 4.8695 4.9862 4.9862 5.1365 5.1365 5.4378 5.4378 5.5420 5.5420 6.4131 6.4131 6.9553 6.9553 7.4936 7.4936 7.7139 7.7139 7.8606 7.8606 7.9345 7.9345 8.1814 8.1814 8.3962 8.3962 k = 0.3837 0.2215 0.0891 ( 7752 PWs) bands (ev): -5.4571 -5.4571 -5.3475 -5.3475 -5.1669 -5.1669 -4.9835 -4.9835 -4.5775 -4.5775 -4.4829 -4.4829 -3.5859 -3.5859 -2.7843 -2.7843 -2.6469 -2.6469 -2.2180 -2.2180 -2.0760 -2.0760 -1.2120 -1.2120 1.0259 1.0259 1.2919 1.2919 1.7471 1.7471 2.2947 2.2947 2.6556 2.6556 2.7316 2.7316 3.0453 3.0453 3.1456 3.1456 3.1521 3.1521 3.2492 3.2492 3.5512 3.5512 3.6853 3.6853 4.1093 4.1093 4.2023 4.2023 4.4577 4.4577 4.7929 4.7929 4.9722 4.9722 5.1349 5.1349 5.4150 5.4150 5.5200 5.5200 6.4039 6.4039 6.9398 6.9398 7.4846 7.4846 7.7031 7.7031 7.8091 7.8091 7.9671 7.9671 8.1830 8.1830 8.3752 8.3752 k = 0.3953 0.2283 0.0891 ( 7756 PWs) bands (ev): -5.3929 -5.3929 -5.2829 -5.2829 -5.1178 -5.1178 -4.9409 -4.9409 -4.5736 -4.5736 -4.4859 -4.4859 -3.5360 -3.5360 -2.8344 -2.8344 -2.6993 -2.6993 -2.2584 -2.2584 -2.1326 -2.1326 -1.2788 -1.2788 0.9808 0.9808 1.2576 1.2576 1.7120 1.7120 2.2756 2.2756 2.6533 2.6533 2.7070 2.7070 3.0120 3.0120 3.0910 3.0910 3.1423 3.1423 3.2057 3.2057 3.5238 3.5238 3.6701 3.6701 4.0633 4.0633 4.2181 4.2181 4.4407 4.4407 4.7062 4.7062 4.9659 4.9659 5.1343 5.1343 5.3962 5.3962 5.5063 5.5063 6.3958 6.3958 6.9245 6.9245 7.4747 7.4747 7.6504 7.6504 7.7614 7.7614 8.0430 8.0430 8.1860 8.1860 8.3564 8.3564 k = 0.4070 0.2350 0.0891 ( 7764 PWs) bands (ev): -5.3291 -5.3291 -5.2185 -5.2185 -5.0703 -5.0703 -4.9011 -4.9011 -4.5738 -4.5738 -4.4941 -4.4941 -3.4882 -3.4882 -2.8790 -2.8790 -2.7543 -2.7543 -2.2907 -2.2907 -2.1880 -2.1880 -1.3434 -1.3434 0.9425 0.9425 1.2196 1.2196 1.6944 1.6944 2.2612 2.2612 2.6157 2.6157 2.6917 2.6917 2.9883 2.9883 3.0517 3.0517 3.1404 3.1404 3.1711 3.1711 3.4990 3.4990 3.6577 3.6577 4.0171 4.0171 4.2327 4.2327 4.4251 4.4251 4.6168 4.6168 4.9636 4.9636 5.1322 5.1322 5.3806 5.3806 5.5020 5.5020 6.3888 6.3888 6.9099 6.9099 7.4650 7.4650 7.5611 7.5611 7.7486 7.7486 8.1248 8.1248 8.1912 8.1912 8.3398 8.3398 k = 0.4186 0.2417 0.0891 ( 7762 PWs) bands (ev): -5.2663 -5.2663 -5.1546 -5.1546 -5.0249 -5.0249 -4.8647 -4.8647 -4.5784 -4.5784 -4.5077 -4.5077 -3.4435 -3.4435 -2.9165 -2.9165 -2.8102 -2.8102 -2.3163 -2.3163 -2.2412 -2.2412 -1.4051 -1.4051 0.9112 0.9112 1.1785 1.1785 1.6938 1.6938 2.2515 2.2515 2.5647 2.5647 2.6563 2.6563 2.9898 2.9898 3.0254 3.0254 3.1345 3.1345 3.1516 3.1516 3.4768 3.4768 3.6482 3.6482 3.9722 3.9722 4.2435 4.2435 4.4089 4.4089 4.5308 4.5308 4.9640 4.9640 5.1269 5.1269 5.3676 5.3676 5.5075 5.5075 6.3828 6.3828 6.8963 6.8963 7.4554 7.4554 7.4668 7.4668 7.7439 7.7439 8.1826 8.1826 8.2224 8.2224 8.3277 8.3277 k = 0.4302 0.2484 0.0891 ( 7782 PWs) bands (ev): -5.2050 -5.2050 -5.0917 -5.0917 -4.9820 -4.9820 -4.8324 -4.8324 -4.5877 -4.5877 -4.5264 -4.5264 -3.4033 -3.4033 -2.9459 -2.9459 -2.8645 -2.8645 -2.3388 -2.3388 -2.2888 -2.2888 -1.4626 -1.4626 0.8867 0.8867 1.1357 1.1357 1.7084 1.7084 2.2460 2.2460 2.5045 2.5045 2.6063 2.6063 2.9987 2.9987 3.0195 3.0195 3.1133 3.1133 3.1589 3.1589 3.4572 3.4572 3.6417 3.6417 3.9289 3.9289 4.2484 4.2484 4.3843 4.3843 4.4606 4.4606 4.9666 4.9666 5.1180 5.1180 5.3567 5.3567 5.5216 5.5216 6.3776 6.3776 6.8841 6.8841 7.3757 7.3757 7.4475 7.4475 7.7409 7.7409 8.1919 8.1919 8.2791 8.2791 8.3429 8.3429 k = 0.4419 0.2551 0.0891 ( 7772 PWs) bands (ev): -5.1463 -5.1463 -5.0303 -5.0303 -4.9421 -4.9421 -4.8047 -4.8047 -4.6018 -4.6018 -4.5501 -4.5501 -3.3687 -3.3687 -2.9691 -2.9691 -2.9122 -2.9122 -2.3680 -2.3680 -2.3214 -2.3214 -1.5150 -1.5150 0.8688 0.8688 1.0936 1.0936 1.7357 1.7357 2.2439 2.2439 2.4357 2.4357 2.5562 2.5562 2.9852 2.9852 3.0459 3.0459 3.0945 3.0945 3.1778 3.1778 3.4404 3.4404 3.6382 3.6382 3.8872 3.8872 4.2420 4.2420 4.3395 4.3395 4.4262 4.4262 4.9713 4.9713 5.1060 5.1060 5.3475 5.3475 5.5420 5.5420 6.3733 6.3733 6.8734 6.8734 7.2925 7.2925 7.4402 7.4402 7.7384 7.7384 8.1971 8.1971 8.2808 8.2808 8.4200 8.4200 k = 0.4535 0.2618 0.0891 ( 7762 PWs) bands (ev): -5.0916 -5.0916 -4.9712 -4.9712 -4.9055 -4.9055 -4.7819 -4.7819 -4.6208 -4.6208 -4.5783 -4.5783 -3.3405 -3.3405 -2.9962 -2.9962 -2.9416 -2.9416 -2.4069 -2.4069 -2.3356 -2.3356 -1.5608 -1.5608 0.8571 0.8571 1.0542 1.0542 1.7736 1.7736 2.2427 2.2427 2.3635 2.3635 2.5120 2.5120 2.9727 2.9727 3.0640 3.0640 3.0853 3.0853 3.2083 3.2083 3.4266 3.4266 3.6379 3.6379 3.8465 3.8465 4.2104 4.2104 4.3051 4.3051 4.4140 4.4140 4.9778 4.9778 5.0920 5.0920 5.3401 5.3401 5.5654 5.5654 6.3698 6.3698 6.8646 6.8646 7.2193 7.2193 7.4341 7.4341 7.7362 7.7362 8.2022 8.2022 8.2706 8.2706 8.5098 8.5098 k = 0.4651 0.2685 0.0891 ( 7770 PWs) bands (ev): -5.0431 -5.0431 -4.9154 -4.9154 -4.8721 -4.8721 -4.7642 -4.7642 -4.6440 -4.6440 -4.6101 -4.6101 -3.3182 -3.3182 -3.0319 -3.0319 -2.9478 -2.9478 -2.4450 -2.4450 -2.3415 -2.3415 -1.5986 -1.5986 0.8509 0.8509 1.0195 1.0195 1.8198 1.8198 2.2301 2.2301 2.3042 2.3042 2.4745 2.4745 2.9629 2.9629 3.0595 3.0595 3.0941 3.0941 3.2470 3.2470 3.4160 3.4160 3.6413 3.6413 3.8063 3.8063 4.1605 4.1605 4.2935 4.2935 4.4086 4.4086 4.9858 4.9858 5.0771 5.0771 5.3344 5.3344 5.5884 5.5884 6.3671 6.3671 6.8576 6.8576 7.1587 7.1587 7.4293 7.4293 7.7344 7.7344 8.2075 8.2075 8.2598 8.2598 8.5976 8.5976 k = 0.4767 0.2752 0.0891 ( 7770 PWs) bands (ev): -5.0038 -5.0038 -4.8649 -4.8649 -4.8420 -4.8420 -4.7513 -4.7513 -4.6696 -4.6696 -4.6444 -4.6444 -3.3013 -3.3013 -3.0651 -3.0651 -2.9434 -2.9434 -2.4765 -2.4765 -2.3437 -2.3437 -1.6270 -1.6270 0.8492 0.8492 0.9915 0.9915 1.8715 1.8715 2.1807 2.1807 2.2863 2.2863 2.4445 2.4445 2.9560 2.9560 3.0518 3.0518 3.1028 3.1028 3.2853 3.2853 3.4092 3.4092 3.6492 3.6492 3.7671 3.7671 4.1154 4.1154 4.2897 4.2897 4.4060 4.4060 4.9950 4.9950 5.0626 5.0626 5.3303 5.3303 5.6078 5.6078 6.3652 6.3652 6.8526 6.8526 7.1130 7.1130 7.4258 7.4258 7.7330 7.7330 8.2132 8.2132 8.2499 8.2499 8.6758 8.6758 k = 0.4884 0.2820 0.0891 ( 7764 PWs) bands (ev): -4.9778 -4.9778 -4.8258 -4.8258 -4.8157 -4.8157 -4.7415 -4.7415 -4.6927 -4.6927 -4.6781 -4.6781 -3.2901 -3.2901 -3.0884 -3.0884 -2.9372 -2.9372 -2.4973 -2.4973 -2.3444 -2.3444 -1.6446 -1.6446 0.8499 0.8499 0.9727 0.9727 1.9228 1.9228 2.1206 2.1206 2.2882 2.2882 2.4239 2.4239 2.9518 2.9518 3.0469 3.0469 3.1078 3.1078 3.3131 3.3131 3.4063 3.4063 3.6623 3.6623 3.7316 3.7316 4.0857 4.0857 4.2883 4.2883 4.4047 4.4047 5.0038 5.0038 5.0504 5.0504 5.3279 5.3279 5.6207 5.6207 6.3640 6.3640 6.8497 6.8497 7.0846 7.0846 7.4237 7.4237 7.7321 7.7321 8.2188 8.2188 8.2416 8.2416 8.7280 8.7280 k = 0.5000 0.2887 0.0891 ( 7760 PWs) bands (ev): -4.9686 -4.9686 -4.8114 -4.8114 -4.8013 -4.8013 -4.7354 -4.7354 -4.7004 -4.7004 -4.6996 -4.6996 -3.2859 -3.2859 -3.0968 -3.0968 -2.9345 -2.9345 -2.5047 -2.5047 -2.3445 -2.3445 -1.6506 -1.6506 0.8506 0.8506 0.9660 0.9660 1.9505 1.9505 2.0891 2.0891 2.2903 2.2903 2.4164 2.4164 2.9504 2.9504 3.0452 3.0452 3.1093 3.1093 3.3232 3.3232 3.4058 3.4058 3.6732 3.6732 3.7122 3.7122 4.0754 4.0754 4.2878 4.2878 4.4044 4.4044 5.0081 5.0081 5.0449 5.0449 5.3271 5.3271 5.6252 5.6252 6.3636 6.3636 6.8487 6.8487 7.0749 7.0749 7.4230 7.4230 7.7318 7.7318 8.2219 8.2219 8.2376 8.2376 8.7371 8.7371 k = 0.5000 0.2887 0.0891 ( 7760 PWs) bands (ev): -4.9686 -4.9686 -4.8114 -4.8114 -4.8013 -4.8013 -4.7354 -4.7354 -4.7004 -4.7004 -4.6996 -4.6996 -3.2859 -3.2859 -3.0968 -3.0968 -2.9345 -2.9345 -2.5047 -2.5047 -2.3445 -2.3445 -1.6506 -1.6506 0.8506 0.8506 0.9660 0.9660 1.9505 1.9505 2.0891 2.0891 2.2903 2.2903 2.4164 2.4164 2.9504 2.9504 3.0452 3.0452 3.1093 3.1093 3.3232 3.3232 3.4058 3.4058 3.6732 3.6732 3.7122 3.7122 4.0754 4.0754 4.2878 4.2878 4.4044 4.4044 5.0081 5.0081 5.0449 5.0449 5.3271 5.3271 5.6252 5.6252 6.3636 6.3636 6.8487 6.8487 7.0749 7.0749 7.4230 7.4230 7.7318 7.7318 8.2219 8.2219 8.2376 8.2376 8.7371 8.7371 k = 0.4933 0.3002 0.0891 ( 7764 PWs) bands (ev): -4.9677 -4.9677 -4.8106 -4.8106 -4.8005 -4.8005 -4.7347 -4.7347 -4.6997 -4.6997 -4.6987 -4.6987 -3.2847 -3.2847 -3.0966 -3.0966 -2.9347 -2.9347 -2.5058 -2.5058 -2.3464 -2.3464 -1.6520 -1.6520 0.8516 0.8516 0.9670 0.9670 1.9510 1.9510 2.0899 2.0899 2.2882 2.2882 2.4132 2.4132 2.9498 2.9498 3.0192 3.0192 3.1241 3.1241 3.2944 3.2944 3.4087 3.4087 3.6875 3.6875 3.7277 3.7277 4.0772 4.0772 4.2534 4.2534 4.4174 4.4174 4.9574 4.9574 5.1226 5.1226 5.3099 5.3099 5.6330 5.6330 6.3334 6.3334 6.8818 6.8818 7.0755 7.0755 7.4407 7.4407 7.7228 7.7228 8.1280 8.1280 8.3220 8.3220 8.7343 8.7343 k = 0.4867 0.3118 0.0891 ( 7768 PWs) bands (ev): -4.9651 -4.9651 -4.8083 -4.8083 -4.7980 -4.7980 -4.7324 -4.7324 -4.6973 -4.6973 -4.6962 -4.6962 -3.2811 -3.2811 -3.0960 -3.0960 -2.9350 -2.9350 -2.5092 -2.5092 -2.3522 -2.3522 -1.6562 -1.6562 0.8549 0.8549 0.9703 0.9703 1.9525 1.9525 2.0921 2.0921 2.2820 2.2820 2.4039 2.4039 2.9434 2.9434 2.9670 2.9670 3.1412 3.1412 3.2438 3.2438 3.4030 3.4030 3.7230 3.7230 3.7578 3.7578 4.0809 4.0809 4.2002 4.2002 4.4126 4.4126 4.9364 4.9364 5.2164 5.2164 5.2714 5.2714 5.6564 5.6564 6.2574 6.2574 6.9665 6.9665 7.0776 7.0776 7.4905 7.4905 7.6955 7.6955 8.0211 8.0211 8.4035 8.4035 8.7280 8.7280 k = 0.4800 0.3233 0.0891 ( 7764 PWs) bands (ev): -4.9606 -4.9606 -4.8044 -4.8044 -4.7940 -4.7940 -4.7287 -4.7287 -4.6934 -4.6934 -4.6920 -4.6920 -3.2750 -3.2750 -3.0949 -3.0949 -2.9356 -2.9356 -2.5148 -2.5148 -2.3617 -2.3617 -1.6632 -1.6632 0.8603 0.8603 0.9756 0.9756 1.9549 1.9549 2.0956 2.0956 2.2723 2.2723 2.3893 2.3893 2.8944 2.8944 2.9283 2.9283 3.1382 3.1382 3.2161 3.2161 3.3929 3.3929 3.7332 3.7332 3.7972 3.7972 4.0808 4.0808 4.1794 4.1794 4.3739 4.3739 4.9587 4.9587 5.1735 5.1735 5.3479 5.3479 5.6954 5.6954 6.1577 6.1577 7.0785 7.0785 7.0843 7.0843 7.5634 7.5634 7.6512 7.6512 7.9141 7.9141 8.4767 8.4767 8.7243 8.7243 k = 0.4733 0.3349 0.0891 ( 7764 PWs) bands (ev): -4.9544 -4.9544 -4.7990 -4.7990 -4.7884 -4.7884 -4.7236 -4.7236 -4.6879 -4.6879 -4.6861 -4.6861 -3.2666 -3.2666 -3.0935 -3.0935 -2.9364 -2.9364 -2.5228 -2.5228 -2.3751 -2.3751 -1.6730 -1.6730 0.8678 0.8678 0.9831 0.9831 1.9581 1.9581 2.1001 2.1001 2.2600 2.2600 2.3708 2.3708 2.8169 2.8169 2.8806 2.8806 3.1284 3.1284 3.2150 3.2150 3.3883 3.3883 3.6884 3.6884 3.8410 3.8410 4.0677 4.0677 4.2039 4.2039 4.3356 4.3356 5.0028 5.0028 5.0811 5.0811 5.4553 5.4553 5.7484 5.7484 6.0482 6.0482 7.0849 7.0849 7.2153 7.2153 7.5773 7.5773 7.6649 7.6649 7.8133 7.8133 8.5444 8.5444 8.7294 8.7294 k = 0.4667 0.3464 0.0891 ( 7768 PWs) bands (ev): -4.9465 -4.9465 -4.7921 -4.7921 -4.7813 -4.7813 -4.7173 -4.7173 -4.6808 -4.6808 -4.6785 -4.6785 -3.2558 -3.2558 -3.0917 -3.0917 -2.9375 -2.9375 -2.5331 -2.5331 -2.3921 -2.3921 -1.6856 -1.6856 0.8775 0.8775 0.9927 0.9927 1.9619 1.9619 2.1046 2.1046 2.2465 2.2465 2.3494 2.3494 2.7322 2.7322 2.8089 2.8089 3.1351 3.1351 3.2140 3.2140 3.3930 3.3930 3.6129 3.6129 3.8657 3.8657 4.0258 4.0258 4.2561 4.2561 4.3407 4.3407 4.9751 4.9751 5.0546 5.0546 5.5558 5.5558 5.8075 5.8075 5.9440 5.9440 7.0891 7.0891 7.3517 7.3517 7.5092 7.5092 7.7192 7.7192 7.7688 7.7688 8.6073 8.6073 8.7432 8.7432 k = 0.4600 0.3580 0.0891 ( 7756 PWs) bands (ev): -4.9370 -4.9370 -4.7837 -4.7837 -4.7728 -4.7728 -4.7097 -4.7097 -4.6720 -4.6720 -4.6694 -4.6694 -3.2428 -3.2428 -3.0897 -3.0897 -2.9387 -2.9387 -2.5458 -2.5458 -2.4127 -2.4127 -1.7008 -1.7008 0.8892 0.8892 1.0044 1.0044 1.9660 1.9660 2.1081 2.1081 2.2334 2.2334 2.3259 2.3259 2.6441 2.6441 2.7254 2.7254 3.1544 3.1544 3.2003 3.2003 3.4050 3.4050 3.5349 3.5349 3.8423 3.8423 3.9818 3.9818 4.3159 4.3159 4.3913 4.3913 4.8747 4.8747 5.0978 5.0978 5.6279 5.6279 5.8149 5.8149 5.9191 5.9191 7.0914 7.0914 7.3832 7.3832 7.5405 7.5405 7.6491 7.6491 7.8738 7.8738 8.6623 8.6623 8.7584 8.7584 k = 0.4533 0.3695 0.0891 ( 7746 PWs) bands (ev): -4.9257 -4.9257 -4.7740 -4.7740 -4.7628 -4.7628 -4.7011 -4.7011 -4.6616 -4.6616 -4.6587 -4.6587 -3.2277 -3.2277 -3.0874 -3.0874 -2.9400 -2.9400 -2.5610 -2.5610 -2.4367 -2.4367 -1.7187 -1.7187 0.9030 0.9030 1.0182 1.0182 1.9703 1.9703 2.1085 2.1085 2.2230 2.2230 2.3002 2.3002 2.5557 2.5557 2.6395 2.6395 3.1539 3.1539 3.1897 3.1897 3.4148 3.4148 3.4822 3.4822 3.7570 3.7570 3.9703 3.9703 4.3649 4.3649 4.4633 4.4633 4.7926 4.7926 5.1344 5.1344 5.6043 5.6043 5.8206 5.8206 5.9829 5.9829 7.0887 7.0887 7.3119 7.3119 7.5673 7.5673 7.7105 7.7105 7.9809 7.9809 8.7002 8.7002 8.7747 8.7747 k = 0.4467 0.3811 0.0891 ( 7760 PWs) bands (ev): -4.9129 -4.9129 -4.7630 -4.7630 -4.7514 -4.7514 -4.6916 -4.6916 -4.6496 -4.6496 -4.6465 -4.6465 -3.2106 -3.2106 -3.0849 -3.0849 -2.9414 -2.9414 -2.5788 -2.5788 -2.4641 -2.4641 -1.7393 -1.7393 0.9189 0.9189 1.0340 1.0340 1.9744 1.9744 2.1037 2.1037 2.2170 2.2170 2.2714 2.2714 2.4698 2.4698 2.5573 2.5573 3.0883 3.0883 3.2195 3.2195 3.4070 3.4070 3.4777 3.4777 3.6472 3.6472 3.9671 3.9671 4.3771 4.3771 4.5388 4.5388 4.7583 4.7583 5.1639 5.1639 5.5100 5.5100 5.8755 5.8755 6.0486 6.0486 7.0764 7.0764 7.2525 7.2525 7.5274 7.5274 7.8686 7.8686 8.0826 8.0826 8.7151 8.7151 8.7949 8.7949 k = 0.4400 0.3926 0.0891 ( 7760 PWs) bands (ev): -4.8986 -4.8986 -4.7508 -4.7508 -4.7389 -4.7389 -4.6813 -4.6813 -4.6361 -4.6361 -4.6329 -4.6329 -3.1917 -3.1917 -3.0824 -3.0824 -2.9427 -2.9427 -2.5991 -2.5991 -2.4945 -2.4945 -1.7624 -1.7624 0.9366 0.9366 1.0518 1.0518 1.9781 1.9781 2.0927 2.0927 2.2109 2.2109 2.2400 2.2400 2.3894 2.3894 2.4850 2.4850 2.9995 2.9995 3.2545 3.2545 3.3967 3.3967 3.4874 3.4874 3.5433 3.5433 3.9573 3.9573 4.3392 4.3392 4.6087 4.6087 4.7879 4.7879 5.1870 5.1870 5.4090 5.4090 5.9221 5.9221 6.0982 6.0982 7.0561 7.0561 7.2224 7.2224 7.5081 7.5081 8.0282 8.0282 8.1716 8.1716 8.7151 8.7151 8.8101 8.8102 k = 0.4333 0.4041 0.0891 ( 7750 PWs) bands (ev): -4.8828 -4.8828 -4.7375 -4.7375 -4.7252 -4.7252 -4.6703 -4.6703 -4.6210 -4.6210 -4.6179 -4.6179 -3.1715 -3.1715 -3.0797 -3.0797 -2.9436 -2.9436 -2.6219 -2.6219 -2.5278 -2.5278 -1.7880 -1.7880 0.9563 0.9563 1.0715 1.0715 1.9814 1.9814 2.0760 2.0760 2.1771 2.1771 2.2247 2.2247 2.3199 2.3199 2.4288 2.4288 2.9021 2.9021 3.2912 3.2912 3.3651 3.3651 3.4357 3.4357 3.5332 3.5332 3.9343 3.9343 4.2786 4.2786 4.6652 4.6652 4.8575 4.8575 5.2047 5.2047 5.3216 5.3216 5.9443 5.9443 6.1205 6.1205 7.0415 7.0415 7.2222 7.2222 7.5145 7.5145 8.1741 8.1741 8.2392 8.2392 8.7130 8.7130 8.8175 8.8175 k = 0.4267 0.4157 0.0891 ( 7758 PWs) bands (ev): -4.8657 -4.8657 -4.7231 -4.7231 -4.7105 -4.7105 -4.6587 -4.6587 -4.6047 -4.6047 -4.6017 -4.6017 -3.1505 -3.1505 -3.0772 -3.0772 -2.9436 -2.9436 -2.6472 -2.6472 -2.5636 -2.5636 -1.8161 -1.8161 0.9778 0.9778 1.0931 1.0931 1.9841 1.9841 2.0531 2.0531 2.1198 2.1198 2.2019 2.2019 2.2792 2.2792 2.3911 2.3911 2.8054 2.8054 3.2631 3.2631 3.3285 3.3285 3.4302 3.4302 3.5497 3.5497 3.8964 3.8964 4.2233 4.2233 4.6974 4.6974 4.9429 4.9429 5.2172 5.2172 5.2625 5.2625 5.9379 5.9379 6.1098 6.1098 7.0436 7.0436 7.2504 7.2504 7.5455 7.5455 8.2552 8.2552 8.3021 8.3021 8.7311 8.7311 8.8212 8.8212 k = 0.4200 0.4272 0.0891 ( 7752 PWs) bands (ev): -4.8474 -4.8474 -4.7078 -4.7078 -4.6949 -4.6949 -4.6467 -4.6467 -4.5872 -4.5872 -4.5845 -4.5845 -3.1295 -3.1295 -3.0747 -3.0747 -2.9421 -2.9421 -2.6750 -2.6750 -2.6013 -2.6013 -1.8465 -1.8465 1.0010 1.0010 1.1165 1.1165 1.9859 1.9859 2.0207 2.0207 2.0571 2.0571 2.1539 2.1539 2.2739 2.2739 2.3678 2.3678 2.7163 2.7163 3.1488 3.1488 3.3638 3.3638 3.4416 3.4416 3.5535 3.5535 3.8543 3.8543 4.1818 4.1818 4.6958 4.6958 5.0332 5.0332 5.2224 5.2224 5.2455 5.2455 5.9047 5.9047 6.0693 6.0693 7.0598 7.0598 7.3080 7.3080 7.5977 7.5977 8.2469 8.2469 8.3462 8.3462 8.7989 8.7989 8.8266 8.8266 k = 0.4133 0.4388 0.0891 ( 7752 PWs) bands (ev): -4.8279 -4.8279 -4.6918 -4.6918 -4.6786 -4.6786 -4.6345 -4.6345 -4.5688 -4.5688 -4.5664 -4.5664 -3.1098 -3.1098 -3.0724 -3.0724 -2.9380 -2.9380 -2.7050 -2.7050 -2.6405 -2.6405 -1.8794 -1.8794 1.0257 1.0257 1.1416 1.1416 1.9670 1.9670 1.9879 1.9879 2.0024 2.0024 2.1085 2.1085 2.2748 2.2748 2.3537 2.3537 2.6416 2.6416 3.0372 3.0372 3.3913 3.3913 3.4524 3.4524 3.5384 3.5384 3.8293 3.8293 4.1484 4.1484 4.6646 4.6646 5.1217 5.1217 5.2205 5.2205 5.2701 5.2701 5.8497 5.8497 6.0089 6.0089 7.0831 7.0831 7.3926 7.3926 7.6671 7.6671 8.1995 8.1995 8.3256 8.3256 8.8216 8.8216 8.9294 8.9294 k = 0.4067 0.4503 0.0891 ( 7766 PWs) bands (ev): -4.8073 -4.8073 -4.6752 -4.6752 -4.6618 -4.6618 -4.6221 -4.6221 -4.5498 -4.5498 -4.5476 -4.5476 -3.0929 -3.0929 -3.0703 -3.0703 -2.9302 -2.9302 -2.7370 -2.7370 -2.6800 -2.6800 -1.9145 -1.9145 1.0518 1.0518 1.1681 1.1681 1.9077 1.9077 1.9392 1.9392 1.9952 1.9952 2.0739 2.0739 2.2663 2.2663 2.3460 2.3460 2.5885 2.5885 2.9327 2.9327 3.3788 3.3788 3.4610 3.4610 3.5315 3.5315 3.8316 3.8316 4.1145 4.1145 4.6212 4.6212 5.1798 5.1798 5.2391 5.2391 5.3188 5.3188 5.7787 5.7787 5.9402 5.9402 7.1088 7.1088 7.4966 7.4966 7.7499 7.7499 8.1291 8.1291 8.2656 8.2656 8.8221 8.8221 9.0674 9.0674 k = 0.4000 0.4619 0.0891 ( 7758 PWs) bands (ev): -4.7860 -4.7860 -4.6582 -4.6582 -4.6446 -4.6446 -4.6098 -4.6098 -4.5304 -4.5304 -4.5285 -4.5285 -3.0804 -3.0804 -3.0685 -3.0685 -2.9185 -2.9185 -2.7706 -2.7706 -2.7184 -2.7184 -1.9519 -1.9519 1.0790 1.0790 1.1959 1.1959 1.8478 1.8478 1.8817 1.8817 1.9949 1.9949 2.0468 2.0468 2.2443 2.2443 2.3415 2.3415 2.5603 2.5603 2.8399 2.8399 3.3050 3.3050 3.4822 3.4822 3.5498 3.5498 3.8527 3.8527 4.0744 4.0744 4.5822 4.5822 5.1647 5.1647 5.3154 5.3154 5.3793 5.3793 5.6967 5.6967 5.8743 5.8743 7.1353 7.1353 7.6106 7.6106 7.8419 7.8419 8.0474 8.0474 8.1882 8.1882 8.8221 8.8221 9.1329 9.1329 k = 0.3933 0.4734 0.0891 ( 7762 PWs) bands (ev): -4.7639 -4.7639 -4.6409 -4.6409 -4.6272 -4.6272 -4.5978 -4.5978 -4.5110 -4.5110 -4.5093 -4.5093 -3.0729 -3.0729 -3.0670 -3.0670 -2.9050 -2.9050 -2.8055 -2.8055 -2.7518 -2.7518 -1.9915 -1.9915 1.1071 1.1071 1.2245 1.2245 1.7924 1.7924 1.8255 1.8255 1.9815 1.9815 2.0313 2.0313 2.2176 2.2176 2.3313 2.3313 2.5536 2.5536 2.7655 2.7655 3.2064 3.2064 3.5024 3.5024 3.5782 3.5782 3.8816 3.8816 4.0300 4.0300 4.5562 4.5562 5.1241 5.1241 5.3985 5.3985 5.4401 5.4401 5.6099 5.6099 5.8200 5.8200 7.1618 7.1618 7.7202 7.7202 7.9313 7.9313 7.9718 7.9718 8.1113 8.1113 8.8218 8.8218 9.1754 9.1754 k = 0.3867 0.4850 0.0891 ( 7760 PWs) bands (ev): -4.7414 -4.7414 -4.6236 -4.6236 -4.6098 -4.6098 -4.5865 -4.5865 -4.4922 -4.4922 -4.4904 -4.4904 -3.0699 -3.0699 -3.0656 -3.0656 -2.8980 -2.8980 -2.8411 -2.8411 -2.7718 -2.7718 -2.0334 -2.0334 1.1355 1.1355 1.2534 1.2534 1.7434 1.7434 1.7731 1.7731 1.9461 1.9461 2.0332 2.0332 2.1965 2.1965 2.3056 2.3056 2.5618 2.5618 2.7170 2.7170 3.1002 3.1002 3.5116 3.5116 3.6100 3.6100 3.9062 3.9062 3.9950 3.9950 4.5450 4.5450 5.0667 5.0667 5.4586 5.4586 5.4787 5.4787 5.5581 5.5581 5.7820 5.7820 7.1880 7.1880 7.7806 7.7806 7.8930 7.8930 8.0237 8.0237 8.0874 8.0874 8.8212 8.8212 9.2074 9.2074 k = 0.3800 0.4965 0.0891 ( 7764 PWs) bands (ev): -4.7185 -4.7185 -4.6065 -4.6065 -4.5927 -4.5927 -4.5762 -4.5762 -4.4742 -4.4742 -4.4724 -4.4724 -3.0701 -3.0701 -3.0646 -3.0646 -2.9088 -2.9088 -2.8766 -2.8766 -2.7673 -2.7673 -2.0774 -2.0774 1.1638 1.1638 1.2816 1.2816 1.7019 1.7019 1.7263 1.7263 1.8996 1.8996 2.0427 2.0427 2.1835 2.1835 2.2624 2.2624 2.5796 2.5796 2.6974 2.6974 2.9928 2.9928 3.4996 3.4996 3.6436 3.6436 3.9089 3.9089 3.9965 3.9965 4.5464 4.5464 4.9964 4.9964 5.3776 5.3776 5.5529 5.5529 5.5992 5.5992 5.7605 5.7605 7.2139 7.2139 7.7354 7.7354 7.8382 7.8382 8.0907 8.0907 8.1764 8.1764 8.8201 8.8201 9.2307 9.2307 k = 0.3733 0.5081 0.0891 ( 7756 PWs) bands (ev): -4.6955 -4.6955 -4.5899 -4.5899 -4.5762 -4.5762 -4.5671 -4.5671 -4.4578 -4.4578 -4.4558 -4.4558 -3.0723 -3.0723 -3.0638 -3.0638 -2.9346 -2.9346 -2.9115 -2.9115 -2.7412 -2.7412 -2.1237 -2.1237 1.1911 1.1911 1.3077 1.3077 1.6689 1.6689 1.6869 1.6869 1.8508 1.8508 2.0539 2.0539 2.1666 2.1666 2.2191 2.2191 2.6041 2.6041 2.7006 2.7006 2.8883 2.8883 3.4595 3.4595 3.6791 3.6791 3.9062 3.9062 4.0252 4.0252 4.5572 4.5572 4.9182 4.9182 5.2748 5.2748 5.6202 5.6202 5.6544 5.6544 5.7539 5.7539 7.2392 7.2392 7.6577 7.6577 7.7608 7.7608 8.1989 8.1989 8.2866 8.2866 8.8184 8.8184 9.2470 9.2470 k = 0.3667 0.5196 0.0891 ( 7752 PWs) bands (ev): -4.6728 -4.6728 -4.5742 -4.5742 -4.5614 -4.5614 -4.5591 -4.5591 -4.4433 -4.4433 -4.4410 -4.4410 -3.0757 -3.0757 -3.0631 -3.0631 -2.9650 -2.9650 -2.9446 -2.9446 -2.7035 -2.7035 -2.1720 -2.1720 1.2169 1.2169 1.3293 1.3293 1.6448 1.6448 1.6575 1.6575 1.8048 1.8048 2.0531 2.0531 2.1291 2.1291 2.2108 2.2108 2.6329 2.6329 2.7112 2.7112 2.7964 2.7964 3.3938 3.3938 3.7165 3.7165 3.9176 3.9176 4.0585 4.0585 4.5747 4.5747 4.8381 4.8381 5.1700 5.1700 5.6777 5.6777 5.7035 5.7035 5.7616 5.7616 7.2637 7.2637 7.5807 7.5807 7.6795 7.6795 8.3154 8.3154 8.4005 8.4005 8.8162 8.8162 9.2573 9.2573 k = 0.3600 0.5312 0.0891 ( 7756 PWs) bands (ev): -4.6505 -4.6505 -4.5597 -4.5597 -4.5556 -4.5556 -4.5457 -4.5457 -4.4313 -4.4313 -4.4287 -4.4287 -3.0794 -3.0794 -3.0624 -3.0624 -2.9944 -2.9944 -2.9751 -2.9751 -2.6591 -2.6591 -2.2225 -2.2225 1.2402 1.2402 1.3433 1.3433 1.6298 1.6298 1.6416 1.6416 1.7654 1.7654 2.0065 2.0065 2.1247 2.1247 2.2214 2.2214 2.6488 2.6488 2.6830 2.6830 2.7744 2.7744 3.3117 3.3117 3.7555 3.7555 3.9405 3.9405 4.0878 4.0878 4.5965 4.5965 4.7627 4.7627 5.0678 5.0678 5.7198 5.7198 5.7430 5.7430 5.7841 5.7841 7.2866 7.2866 7.5119 7.5119 7.6034 7.6034 8.4278 8.4278 8.5139 8.5139 8.8136 8.8136 9.2618 9.2618 k = 0.3533 0.5427 0.0891 ( 7740 PWs) bands (ev): -4.6292 -4.6292 -4.5539 -4.5539 -4.5470 -4.5470 -4.5329 -4.5329 -4.4222 -4.4222 -4.4194 -4.4194 -3.0832 -3.0832 -3.0613 -3.0613 -3.0196 -3.0196 -3.0018 -3.0018 -2.6104 -2.6104 -2.2749 -2.2749 1.2606 1.2606 1.3470 1.3470 1.6250 1.6250 1.6398 1.6398 1.7353 1.7353 1.9364 1.9364 2.1455 2.1455 2.2383 2.2383 2.5737 2.5737 2.7088 2.7088 2.8045 2.8045 3.2219 3.2219 3.7952 3.7952 3.9683 3.9683 4.1077 4.1077 4.6202 4.6202 4.6999 4.6999 4.9718 4.9718 5.7456 5.7456 5.7765 5.7765 5.8128 5.8128 7.3068 7.3068 7.4561 7.4561 7.5368 7.5368 8.5306 8.5306 8.6220 8.6220 8.8114 8.8114 9.2594 9.2594 k = 0.3467 0.5543 0.0891 ( 7746 PWs) bands (ev): -4.6092 -4.6092 -4.5557 -4.5557 -4.5366 -4.5366 -4.5223 -4.5223 -4.4161 -4.4161 -4.4135 -4.4135 -3.0869 -3.0869 -3.0601 -3.0601 -3.0381 -3.0381 -3.0235 -3.0235 -2.5583 -2.5583 -2.3293 -2.3293 1.2784 1.2784 1.3408 1.3408 1.6295 1.6295 1.6498 1.6498 1.7180 1.7180 1.8642 1.8642 2.1741 2.1741 2.2564 2.2564 2.4928 2.4928 2.7464 2.7464 2.8418 2.8418 3.1318 3.1318 3.8340 3.8340 3.9940 3.9940 4.1141 4.1141 4.6386 4.6386 4.6615 4.6615 4.8875 4.8875 5.7660 5.7660 5.7994 5.7994 5.8359 5.8359 7.3204 7.3204 7.4194 7.4194 7.4829 7.4829 8.6171 8.6171 8.7164 8.7164 8.8116 8.8116 9.2487 9.2487 k = 0.3400 0.5658 0.0891 ( 7730 PWs) bands (ev): -4.5914 -4.5914 -4.5615 -4.5615 -4.5296 -4.5296 -4.5151 -4.5151 -4.4129 -4.4129 -4.4107 -4.4107 -3.0903 -3.0903 -3.0594 -3.0594 -3.0474 -3.0474 -3.0389 -3.0389 -2.5036 -2.5036 -2.3851 -2.3851 1.2939 1.2939 1.3282 1.3282 1.6363 1.6363 1.6673 1.6673 1.7196 1.7196 1.7962 1.7962 2.2071 2.2071 2.2657 2.2657 2.4295 2.4295 2.7835 2.7835 2.8746 2.8746 3.0532 3.0532 3.8675 3.8675 4.0098 4.0098 4.1098 4.1098 4.6338 4.6338 4.6632 4.6632 4.8260 4.8260 5.7853 5.7853 5.8084 5.8084 5.8489 5.8489 7.3231 7.3231 7.4074 7.4074 7.4445 7.4445 8.6751 8.6751 8.7839 8.7839 8.8171 8.8171 9.2317 9.2317 k = 0.3333 0.5774 0.0891 ( 7746 PWs) bands (ev): -4.5804 -4.5804 -4.5682 -4.5682 -4.5269 -4.5269 -4.5123 -4.5123 -4.4119 -4.4119 -4.4103 -4.4103 -3.0920 -3.0920 -3.0599 -3.0599 -3.0483 -3.0483 -3.0457 -3.0457 -2.4565 -2.4565 -2.4325 -2.4325 1.3042 1.3042 1.3177 1.3177 1.6387 1.6387 1.6818 1.6818 1.7387 1.7387 1.7473 1.7473 2.2386 2.2386 2.2509 2.2509 2.4059 2.4059 2.8061 2.8061 2.8839 2.8839 3.0184 3.0184 3.8836 3.8836 4.0121 4.0121 4.1063 4.1063 4.6354 4.6354 4.6617 4.6617 4.8043 4.8043 5.8008 5.8008 5.8038 5.8038 5.8520 5.8520 7.3211 7.3211 7.4100 7.4100 7.4279 7.4279 8.6938 8.6938 8.8126 8.8126 8.8191 8.8191 9.2221 9.2221 k = 0.3333 0.5774 0.0891 ( 7746 PWs) bands (ev): -4.5804 -4.5804 -4.5682 -4.5682 -4.5269 -4.5269 -4.5123 -4.5123 -4.4119 -4.4119 -4.4103 -4.4103 -3.0920 -3.0920 -3.0599 -3.0599 -3.0483 -3.0483 -3.0457 -3.0457 -2.4565 -2.4565 -2.4325 -2.4325 1.3042 1.3042 1.3177 1.3177 1.6387 1.6387 1.6818 1.6818 1.7387 1.7387 1.7473 1.7473 2.2386 2.2386 2.2509 2.2509 2.4059 2.4059 2.8061 2.8061 2.8839 2.8839 3.0184 3.0184 3.8836 3.8836 4.0121 4.0121 4.1063 4.1063 4.6354 4.6354 4.6617 4.6617 4.8043 4.8043 5.8008 5.8008 5.8038 5.8038 5.8520 5.8520 7.3211 7.3211 7.4100 7.4100 7.4279 7.4279 8.6938 8.6938 8.8126 8.8126 8.8191 8.8191 9.2221 9.2221 k = 0.3267 0.5658 0.0891 ( 7736 PWs) bands (ev): -4.5926 -4.5926 -4.5610 -4.5610 -4.5300 -4.5300 -4.5155 -4.5155 -4.4125 -4.4125 -4.4101 -4.4101 -3.0895 -3.0895 -3.0582 -3.0582 -3.0466 -3.0466 -3.0412 -3.0412 -2.5056 -2.5056 -2.3831 -2.3831 1.2944 1.2944 1.3290 1.3290 1.6336 1.6336 1.6567 1.6567 1.7469 1.7469 1.7808 1.7808 2.1952 2.1952 2.2855 2.2855 2.4217 2.4217 2.7688 2.7688 2.8998 2.8998 3.0427 3.0427 3.8623 3.8623 4.0158 4.0158 4.1097 4.1097 4.6237 4.6237 4.6795 4.6795 4.8189 4.8189 5.7816 5.7816 5.8068 5.8068 5.8546 5.8546 7.3257 7.3257 7.4094 7.4094 7.4398 7.4398 8.6782 8.6782 8.7855 8.7855 8.8130 8.8130 9.2346 9.2346 k = 0.3200 0.5543 0.0891 ( 7742 PWs) bands (ev): -4.6153 -4.6153 -4.5562 -4.5562 -4.5385 -4.5385 -4.5255 -4.5255 -4.4128 -4.4128 -4.4092 -4.4092 -3.0813 -3.0813 -3.0513 -3.0513 -3.0387 -3.0387 -3.0328 -3.0328 -2.5664 -2.5664 -2.3214 -2.3214 1.2828 1.2828 1.3471 1.3471 1.5932 1.5932 1.6481 1.6481 1.7831 1.7831 1.8257 1.8257 2.1404 2.1404 2.3285 2.3285 2.4548 2.4548 2.6937 2.6937 2.9365 2.9365 3.0900 3.0900 3.8078 3.8078 4.0164 4.0164 4.1242 4.1242 4.6130 4.6130 4.7190 4.7190 4.8501 4.8501 5.7482 5.7482 5.7870 5.7870 5.8694 5.8694 7.3407 7.3407 7.4195 7.4195 7.4603 7.4603 8.6336 8.6336 8.7286 8.7286 8.7874 8.7874 9.2595 9.2596 k = 0.3133 0.5427 0.0891 ( 7750 PWs) bands (ev): -4.6448 -4.6448 -4.5681 -4.5681 -4.5457 -4.5457 -4.5405 -4.5405 -4.4112 -4.4112 -4.4077 -4.4077 -3.0666 -3.0666 -3.0376 -3.0376 -3.0254 -3.0254 -3.0210 -3.0210 -2.6289 -2.6289 -2.2573 -2.2573 1.2749 1.2749 1.3684 1.3684 1.5450 1.5450 1.6517 1.6517 1.8267 1.8267 1.8752 1.8752 2.0911 2.0911 2.3739 2.3739 2.4929 2.4929 2.6162 2.6162 2.9765 2.9765 3.1446 3.1446 3.7387 3.7387 3.9956 3.9956 4.1565 4.1565 4.6186 4.6186 4.7681 4.7681 4.8881 4.8881 5.7043 5.7043 5.7503 5.7503 5.8906 5.8906 7.3652 7.3652 7.4432 7.4432 7.4842 7.4842 8.5645 8.5645 8.6528 8.6528 8.7598 8.7598 9.2670 9.2670 k = 0.3067 0.5312 0.0891 ( 7756 PWs) bands (ev): -4.6808 -4.6808 -4.5959 -4.5959 -4.5664 -4.5664 -4.5465 -4.5465 -4.4073 -4.4073 -4.4058 -4.4058 -3.0459 -3.0459 -3.0168 -3.0168 -3.0081 -3.0081 -3.0044 -3.0044 -2.6927 -2.6927 -2.1912 -2.1912 1.2720 1.2720 1.3928 1.3928 1.5019 1.5019 1.6565 1.6565 1.8736 1.8736 1.9268 1.9268 2.0535 2.0535 2.4192 2.4192 2.5059 2.5059 2.5730 2.5730 3.0148 3.0148 3.2021 3.2021 3.6656 3.6656 3.9585 3.9585 4.2005 4.2005 4.6395 4.6395 4.8224 4.8224 4.9296 4.9296 5.6528 5.6528 5.7035 5.7035 5.9137 5.9137 7.3954 7.3954 7.4785 7.4785 7.5126 7.5126 8.4806 8.4806 8.5658 8.5658 8.7356 8.7356 9.2602 9.2602 k = 0.3000 0.5196 0.0891 ( 7756 PWs) bands (ev): -4.7229 -4.7229 -4.6329 -4.6329 -4.5943 -4.5943 -4.5548 -4.5548 -4.4044 -4.4044 -4.4017 -4.4017 -3.0205 -3.0205 -2.9921 -2.9921 -2.9863 -2.9863 -2.9800 -2.9800 -2.7576 -2.7576 -2.1235 -2.1235 1.2746 1.2746 1.4185 1.4185 1.4673 1.4673 1.6598 1.6598 1.9210 1.9210 1.9739 1.9739 2.0378 2.0378 2.4286 2.4286 2.4880 2.4880 2.6073 2.6073 3.0485 3.0485 3.2600 3.2600 3.5952 3.5952 3.9162 3.9162 4.2501 4.2501 4.6706 4.6706 4.8790 4.8790 4.9730 4.9730 5.5969 5.5969 5.6509 5.6509 5.9376 5.9376 7.4263 7.4263 7.5227 7.5227 7.5486 7.5486 8.3899 8.3899 8.4736 8.4736 8.7130 8.7130 9.2475 9.2475 k = 0.2933 0.5081 0.0891 ( 7756 PWs) bands (ev): -4.7705 -4.7705 -4.6769 -4.6769 -4.6267 -4.6267 -4.5683 -4.5683 -4.4038 -4.4038 -4.3956 -4.3956 -2.9919 -2.9919 -2.9696 -2.9696 -2.9532 -2.9532 -2.9476 -2.9476 -2.8231 -2.8231 -2.0542 -2.0542 1.2825 1.2825 1.4236 1.4236 1.4635 1.4635 1.6594 1.6594 1.9619 1.9619 2.0009 2.0009 2.0658 2.0658 2.3725 2.3725 2.5319 2.5319 2.6574 2.6574 3.0748 3.0748 3.3132 3.3132 3.5349 3.5349 3.8773 3.8773 4.3025 4.3025 4.7071 4.7071 4.9353 4.9353 5.0168 5.0168 5.5404 5.5404 5.5965 5.5965 5.9616 5.9616 7.4530 7.4530 7.5725 7.5725 7.5955 7.5955 8.2968 8.2968 8.3800 8.3800 8.6908 8.6908 9.2314 9.2314 k = 0.2867 0.4965 0.0891 ( 7754 PWs) bands (ev): -4.8228 -4.8228 -4.7265 -4.7265 -4.6631 -4.6631 -4.5869 -4.5869 -4.4044 -4.4044 -4.3896 -4.3896 -2.9616 -2.9616 -2.9453 -2.9453 -2.9134 -2.9134 -2.9083 -2.9083 -2.8877 -2.8877 -1.9835 -1.9835 1.2955 1.2955 1.4049 1.4049 1.4939 1.4939 1.6551 1.6551 1.9865 1.9865 2.0305 2.0305 2.1207 2.1207 2.3220 2.3220 2.5829 2.5829 2.7106 2.7106 3.0910 3.0910 3.3463 3.3463 3.5023 3.5023 3.8483 3.8483 4.3564 4.3564 4.7448 4.7448 4.9881 4.9881 5.0591 5.0591 5.4878 5.4878 5.5448 5.5448 5.9854 5.9854 7.4733 7.4733 7.6257 7.6257 7.6527 7.6527 8.2043 8.2043 8.2879 8.2879 8.6685 8.6685 9.2126 9.2126 k = 0.2800 0.4850 0.0891 ( 7758 PWs) bands (ev): -4.8791 -4.8791 -4.7806 -4.7806 -4.7029 -4.7029 -4.6104 -4.6104 -4.4065 -4.4065 -4.3845 -4.3845 -2.9593 -2.9593 -2.9297 -2.9297 -2.9141 -2.9141 -2.8677 -2.8677 -2.8599 -2.8599 -1.9115 -1.9115 1.3120 1.3120 1.3917 1.3917 1.5289 1.5289 1.6491 1.6491 2.0080 2.0080 2.0594 2.0594 2.1817 2.1817 2.2941 2.2941 2.6336 2.6336 2.7642 2.7642 3.0955 3.0955 3.3371 3.3371 3.5218 3.5218 3.8338 3.8338 4.4109 4.4109 4.7799 4.7799 5.0325 5.0325 5.0967 5.0967 5.4451 5.4451 5.5022 5.5022 6.0088 6.0088 7.4878 7.4878 7.6797 7.6797 7.7163 7.7163 8.1144 8.1144 8.2006 8.2006 8.6459 8.6459 9.1915 9.1915 k = 0.2733 0.4734 0.0891 ( 7762 PWs) bands (ev): -4.9385 -4.9385 -4.8384 -4.8384 -4.7458 -4.7458 -4.6384 -4.6384 -4.4104 -4.4104 -4.3807 -4.3807 -3.0251 -3.0251 -2.8966 -2.8966 -2.8837 -2.8837 -2.8168 -2.8168 -2.8075 -2.8075 -1.8385 -1.8385 1.3288 1.3288 1.3904 1.3904 1.5619 1.5619 1.6464 1.6464 2.0283 2.0283 2.0770 2.0770 2.2446 2.2446 2.3012 2.3012 2.6810 2.6810 2.8158 2.8158 3.0897 3.0897 3.3066 3.3066 3.5748 3.5748 3.8362 3.8362 4.4652 4.4652 4.8081 4.8081 5.0616 5.0616 5.1252 5.1252 5.4205 5.4205 5.4770 5.4770 6.0317 6.0317 7.4973 7.4973 7.7279 7.7279 7.7829 7.7829 8.0295 8.0295 8.1238 8.1238 8.6235 8.6235 9.1684 9.1684 k = 0.2667 0.4619 0.0891 ( 7760 PWs) bands (ev): -5.0005 -5.0005 -4.8989 -4.8989 -4.7914 -4.7914 -4.6705 -4.6705 -4.4161 -4.4161 -4.3787 -4.3787 -3.0921 -3.0921 -2.8621 -2.8621 -2.8494 -2.8494 -2.7613 -2.7613 -2.7503 -2.7503 -1.7646 -1.7646 1.3412 1.3412 1.4055 1.4055 1.5846 1.5846 1.6554 1.6554 2.0293 2.0293 2.1053 2.1053 2.3077 2.3077 2.3405 2.3405 2.7211 2.7211 2.8619 2.8619 3.0792 3.0792 3.2803 3.2803 3.6386 3.6386 3.8549 3.8549 4.5183 4.5183 4.8244 4.8244 5.0691 5.0691 5.1423 5.1423 5.4207 5.4207 5.4768 5.4768 6.0539 6.0539 7.5024 7.5024 7.7557 7.7557 7.8475 7.8475 7.9539 7.9539 8.0708 8.0708 8.6021 8.6021 9.1436 9.1436 k = 0.2600 0.4503 0.0891 ( 7752 PWs) bands (ev): -5.0644 -5.0644 -4.9616 -4.9616 -4.8392 -4.8392 -4.7062 -4.7062 -4.4236 -4.4236 -4.3786 -4.3786 -3.1590 -3.1590 -2.8265 -2.8265 -2.8121 -2.8121 -2.7019 -2.7019 -2.6888 -2.6888 -1.6900 -1.6900 1.3513 1.3513 1.4345 1.4345 1.5944 1.5944 1.6777 1.6777 2.0197 2.0197 2.1503 2.1503 2.3710 2.3710 2.3981 2.3981 2.7487 2.7487 2.8958 2.8958 3.0747 3.0747 3.2692 3.2692 3.7065 3.7065 3.8874 3.8874 4.5689 4.5689 4.8243 4.8243 5.0568 5.0568 5.1528 5.1528 5.4455 5.4455 5.5017 5.5017 6.0755 6.0755 7.5033 7.5033 7.7443 7.7443 7.8600 7.8600 7.9342 7.9342 8.0618 8.0618 8.5827 8.5827 9.1172 9.1172 k = 0.2533 0.4388 0.0891 ( 7752 PWs) bands (ev): -5.1296 -5.1296 -5.0258 -5.0258 -4.8890 -4.8890 -4.7451 -4.7451 -4.4331 -4.4331 -4.3808 -4.3808 -3.2255 -3.2255 -2.7902 -2.7902 -2.7724 -2.7724 -2.6393 -2.6393 -2.6236 -2.6236 -1.6148 -1.6148 1.3641 1.3641 1.4712 1.4712 1.6010 1.6010 1.7015 1.7015 2.0190 2.0190 2.2037 2.2037 2.4361 2.4361 2.4632 2.4632 2.7603 2.7603 2.9085 2.9085 3.0893 3.0893 3.2788 3.2788 3.7759 3.7759 3.9305 3.9305 4.6147 4.6147 4.8067 4.8067 5.0338 5.0338 5.1657 5.1657 5.4877 5.4877 5.5441 5.5441 6.0962 6.0962 7.4997 7.4997 7.6987 7.6987 7.7959 7.7959 7.9897 7.9897 8.0954 8.0954 8.5671 8.5671 9.0896 9.0896 k = 0.2467 0.4272 0.0891 ( 7746 PWs) bands (ev): -5.1958 -5.1958 -5.0911 -5.0911 -4.9404 -4.9404 -4.7868 -4.7868 -4.4445 -4.4445 -4.3852 -4.3852 -3.2916 -3.2916 -2.7536 -2.7536 -2.7305 -2.7305 -2.5740 -2.5740 -2.5551 -2.5551 -1.5392 -1.5392 1.3818 1.3818 1.5110 1.5110 1.6124 1.6124 1.7182 1.7182 2.0361 2.0361 2.2621 2.2621 2.5034 2.5034 2.5303 2.5303 2.7576 2.7576 2.9000 2.9000 3.1264 3.1264 3.3094 3.3094 3.8456 3.8456 3.9807 3.9807 4.6524 4.6524 4.7757 4.7757 5.0114 5.0114 5.1852 5.1852 5.5398 5.5398 5.5959 5.5959 6.1162 6.1162 7.4909 7.4909 7.6399 7.6399 7.7293 7.7293 8.0438 8.0438 8.1507 8.1507 8.5578 8.5578 9.0611 9.0611 k = 0.2400 0.4157 0.0891 ( 7758 PWs) bands (ev): -5.2625 -5.2625 -5.1571 -5.1571 -4.9931 -4.9931 -4.8308 -4.8308 -4.4578 -4.4578 -4.3921 -4.3921 -3.3568 -3.3568 -2.7171 -2.7171 -2.6869 -2.6869 -2.5063 -2.5063 -2.4837 -2.4837 -1.4635 -1.4635 1.4053 1.4053 1.5489 1.5489 1.6340 1.6340 1.7274 1.7274 2.0724 2.0724 2.3234 2.3234 2.5714 2.5714 2.5960 2.5960 2.7478 2.7478 2.8814 2.8814 3.1787 3.1787 3.3564 3.3564 3.9142 3.9142 4.0347 4.0347 4.6771 4.6771 4.7385 4.7385 4.9997 4.9997 5.2101 5.2101 5.5966 5.5966 5.6514 5.6514 6.1355 6.1355 7.4758 7.4758 7.5807 7.5807 7.6686 7.6686 8.0869 8.0869 8.2136 8.2136 8.5578 8.5578 9.0321 9.0321 k = 0.2333 0.4041 0.0891 ( 7746 PWs) bands (ev): -5.3293 -5.3293 -5.2233 -5.2233 -5.0466 -5.0466 -4.8767 -4.8767 -4.4728 -4.4728 -4.4014 -4.4014 -3.4210 -3.4210 -2.6811 -2.6811 -2.6420 -2.6420 -2.4369 -2.4369 -2.4097 -2.4097 -1.3877 -1.3877 1.4343 1.4343 1.5808 1.5808 1.6689 1.6689 1.7346 1.7346 2.1243 2.1243 2.3857 2.3857 2.6344 2.6344 2.6559 2.6559 2.7427 2.7427 2.8656 2.8656 3.2395 3.2395 3.4143 3.4143 3.9804 3.9804 4.0893 4.0893 4.6836 4.6836 4.7043 4.7043 5.0059 5.0059 5.2383 5.2383 5.6547 5.6547 5.7068 5.7068 6.1540 6.1540 7.4532 7.4532 7.5262 7.5262 7.6177 7.6177 8.1150 8.1150 8.2770 8.2770 8.5692 8.5692 9.0028 9.0028 k = 0.2267 0.3926 0.0891 ( 7734 PWs) bands (ev): -5.3960 -5.3960 -5.2895 -5.2895 -5.1009 -5.1009 -4.9242 -4.9242 -4.4896 -4.4896 -4.4132 -4.4132 -3.4841 -3.4841 -2.6460 -2.6460 -2.5962 -2.5962 -2.3661 -2.3661 -2.3334 -2.3334 -1.3122 -1.3122 1.4685 1.4685 1.6083 1.6083 1.7098 1.7098 1.7504 1.7504 2.1871 2.1871 2.4459 2.4459 2.6669 2.6669 2.7100 2.7100 2.7621 2.7621 2.8695 2.8695 3.3050 3.3050 3.4792 3.4792 4.0419 4.0419 4.1403 4.1403 4.6637 4.6637 4.6913 4.6913 5.0299 5.0299 5.2677 5.2677 5.7115 5.7115 5.7595 5.7595 6.1720 6.1720 7.4238 7.4238 7.4788 7.4788 7.5782 7.5782 8.1267 8.1267 8.3362 8.3362 8.5914 8.5914 8.9731 8.9731 k = 0.2200 0.3811 0.0891 ( 7722 PWs) bands (ev): -5.4623 -5.4623 -5.3553 -5.3553 -5.1555 -5.1555 -4.9729 -4.9729 -4.5080 -4.5080 -4.4274 -4.4274 -3.5458 -3.5458 -2.6123 -2.6123 -2.5498 -2.5498 -2.2942 -2.2942 -2.2551 -2.2551 -1.2370 -1.2370 1.5067 1.5067 1.6361 1.6361 1.7395 1.7395 1.7911 1.7911 2.2573 2.2573 2.4995 2.4995 2.6693 2.6693 2.7428 2.7428 2.8158 2.8158 2.9077 2.9077 3.3732 3.3732 3.5484 3.5484 4.0958 4.0958 4.1828 4.1828 4.6457 4.6457 4.6868 4.6868 5.0669 5.0669 5.2973 5.2973 5.7650 5.7650 5.8072 5.8072 6.1894 6.1894 7.3922 7.3922 7.4393 7.4393 7.5488 7.5488 8.1236 8.1236 8.3873 8.3873 8.6193 8.6193 8.9421 8.9421 k = 0.2133 0.3695 0.0891 ( 7742 PWs) bands (ev): -5.5279 -5.5279 -5.4207 -5.4207 -5.2102 -5.2102 -5.0225 -5.0225 -4.5279 -4.5279 -4.4439 -4.4439 -3.6061 -3.6061 -2.5802 -2.5802 -2.5034 -2.5034 -2.2217 -2.2217 -2.1752 -2.1752 -1.1623 -1.1623 1.5471 1.5471 1.6681 1.6681 1.7661 1.7661 1.8478 1.8478 2.3323 2.3323 2.5406 2.5406 2.6649 2.6649 2.7669 2.7669 2.8865 2.8865 2.9710 2.9710 3.4429 3.4429 3.6202 3.6202 4.1378 4.1378 4.2123 4.2123 4.6453 4.6453 4.6907 4.6907 5.1115 5.1115 5.3263 5.3263 5.8132 5.8132 5.8483 5.8483 6.2061 6.2061 7.3633 7.3633 7.4093 7.4093 7.5263 7.5263 8.1092 8.1092 8.4268 8.4268 8.6444 8.6444 8.9072 8.9072 k = 0.2067 0.3580 0.0891 ( 7734 PWs) bands (ev): -5.5927 -5.5927 -5.4852 -5.4852 -5.2649 -5.2649 -5.0726 -5.0726 -4.5491 -4.5491 -4.4628 -4.4628 -3.6647 -3.6647 -2.5501 -2.5501 -2.4573 -2.4573 -2.1489 -2.1489 -2.0938 -2.0938 -1.0883 -1.0883 1.5877 1.5877 1.7076 1.7076 1.8001 1.8001 1.9087 1.9087 2.4094 2.4094 2.5671 2.5671 2.6621 2.6621 2.8054 2.8054 2.9619 2.9619 3.0458 3.0458 3.5132 3.5132 3.6933 3.6933 4.1634 4.1634 4.2280 4.2280 4.6656 4.6656 4.7098 4.7098 5.1602 5.1602 5.3543 5.3543 5.8541 5.8541 5.8816 5.8816 6.2222 6.2222 7.3396 7.3396 7.3912 7.3912 7.5085 7.5085 8.0869 8.0869 8.4518 8.4518 8.6565 8.6565 8.8650 8.8650 k = 0.2000 0.3464 0.0891 ( 7718 PWs) bands (ev): -5.6565 -5.6565 -5.5488 -5.5488 -5.3193 -5.3193 -5.1229 -5.1229 -4.5715 -4.5715 -4.4838 -4.4838 -3.7215 -3.7215 -2.5223 -2.5223 -2.4118 -2.4118 -2.0763 -2.0763 -2.0113 -2.0113 -1.0151 -1.0151 1.6275 1.6275 1.7572 1.7572 1.8430 1.8430 1.9702 1.9702 2.4847 2.4847 2.5842 2.5842 2.6680 2.6680 2.8585 2.8585 3.0392 3.0392 3.1264 3.1264 3.5834 3.5834 3.7668 3.7668 4.1704 4.1704 4.2347 4.2347 4.7039 4.7039 4.7477 4.7477 5.2110 5.2110 5.3810 5.3810 5.8858 5.8858 5.9071 5.9071 6.2373 6.2373 7.3218 7.3218 7.3871 7.3871 7.4951 7.4951 8.0594 8.0594 8.4611 8.4611 8.6465 8.6465 8.8131 8.8131 k = 0.1933 0.3349 0.0891 ( 7722 PWs) bands (ev): -5.7192 -5.7192 -5.6113 -5.6113 -5.3731 -5.3731 -5.1733 -5.1733 -4.5949 -4.5949 -4.5068 -4.5068 -3.7765 -3.7765 -2.4970 -2.4970 -2.3673 -2.3673 -2.0044 -2.0044 -1.9280 -1.9280 -0.9428 -0.9428 1.6675 1.6675 1.8168 1.8168 1.8946 1.8946 2.0306 2.0306 2.5419 2.5419 2.6116 2.6116 2.6886 2.6886 2.9194 2.9194 3.1180 3.1180 3.2109 3.2109 3.6528 3.6528 3.8396 3.8396 4.1632 4.1632 4.2373 4.2373 4.7549 4.7549 4.8027 4.8027 5.2625 5.2625 5.4064 5.4064 5.9064 5.9064 5.9257 5.9257 6.2512 6.2512 7.3090 7.3090 7.3974 7.3974 7.4875 7.4875 8.0286 8.0286 8.4552 8.4552 8.6116 8.6116 8.7525 8.7525 k = 0.1867 0.3233 0.0891 ( 7714 PWs) bands (ev): -5.7805 -5.7805 -5.6725 -5.6725 -5.4263 -5.4263 -5.2234 -5.2234 -4.6192 -4.6192 -4.5317 -4.5317 -3.8295 -3.8295 -2.4744 -2.4744 -2.3241 -2.3241 -1.9333 -1.9333 -1.8439 -1.8439 -0.8714 -0.8714 1.7101 1.7101 1.8848 1.8848 1.9542 1.9542 2.0891 2.0891 2.5615 2.5615 2.6727 2.6727 2.7255 2.7255 2.9829 2.9829 3.1980 3.1980 3.2984 3.2984 3.7206 3.7206 3.9106 3.9106 4.1500 4.1500 4.2386 4.2386 4.8147 4.8147 4.8700 4.8700 5.3139 5.3139 5.4304 5.4304 5.9160 5.9160 5.9379 5.9379 6.2641 6.2641 7.2989 7.2989 7.4214 7.4214 7.4884 7.4884 7.9956 7.9956 8.4353 8.4353 8.5564 8.5564 8.6866 8.6866 k = 0.1800 0.3118 0.0891 ( 7734 PWs) bands (ev): -5.8404 -5.8404 -5.7323 -5.7323 -5.4787 -5.4787 -5.2731 -5.2731 -4.6442 -4.6442 -4.5583 -4.5583 -3.8806 -3.8806 -2.4545 -2.4545 -2.2825 -2.2825 -1.8637 -1.8637 -1.7596 -1.7596 -0.8012 -0.8012 1.7570 1.7570 1.9594 1.9594 2.0214 2.0214 2.1456 2.1456 2.5693 2.5693 2.7440 2.7440 2.7785 2.7785 3.0460 3.0460 3.2794 3.2794 3.3882 3.3882 3.7860 3.7860 3.9780 3.9780 4.1383 4.1383 4.2422 4.2422 4.8798 4.8798 4.9449 4.9449 5.3645 5.3645 5.4534 5.4534 5.9168 5.9168 5.9433 5.9433 6.2761 6.2761 7.2882 7.2882 7.4571 7.4571 7.5010 7.5010 7.9614 7.9614 8.4023 8.4023 8.4886 8.4886 8.6192 8.6192 k = 0.1733 0.3002 0.0891 ( 7740 PWs) bands (ev): -5.8988 -5.8988 -5.7906 -5.7906 -5.5301 -5.5301 -5.3221 -5.3221 -4.6698 -4.6698 -4.5863 -4.5863 -3.9296 -3.9296 -2.4376 -2.4376 -2.2427 -2.2427 -1.7960 -1.7960 -1.6752 -1.6752 -0.7319 -0.7319 1.8094 1.8094 2.0388 2.0388 2.0956 2.0956 2.2013 2.2013 2.5789 2.5789 2.8152 2.8152 2.8441 2.8441 3.1069 3.1069 3.3623 3.3623 3.4796 3.4796 3.8477 3.8477 4.0376 4.0376 4.1351 4.1351 4.2525 4.2525 4.9470 4.9470 5.0241 5.0241 5.4130 5.4130 5.4760 5.4760 5.9116 5.9116 5.9425 5.9425 6.2877 6.2877 7.2744 7.2744 7.5008 7.5008 7.5280 7.5280 7.9270 7.9270 8.3550 8.3550 8.4161 8.4161 8.5542 8.5542 k = 0.1667 0.2887 0.0891 ( 7740 PWs) bands (ev): -5.9555 -5.9555 -5.8473 -5.8473 -5.5803 -5.5803 -5.3704 -5.3704 -4.6957 -4.6957 -4.6156 -4.6156 -3.9765 -3.9765 -2.4235 -2.4235 -2.2049 -2.2049 -1.7304 -1.7304 -1.5909 -1.5909 -0.6638 -0.6638 1.8679 1.8679 2.1216 2.1216 2.1754 2.1754 2.2590 2.2590 2.5938 2.5938 2.8890 2.8890 2.9141 2.9141 3.1649 3.1649 3.4467 3.4467 3.5717 3.5717 3.9042 3.9042 4.0822 4.0822 4.1497 4.1497 4.2741 4.2741 5.0134 5.0134 5.1052 5.1052 5.4566 5.4566 5.5008 5.5008 5.9031 5.9031 5.9371 5.9371 6.2998 6.2998 7.2566 7.2566 7.5460 7.5460 7.5717 7.5717 7.8930 7.8930 8.2911 8.2911 8.3459 8.3459 8.4946 8.4946 k = 0.1600 0.2771 0.0891 ( 7730 PWs) bands (ev): -6.0105 -6.0105 -5.9024 -5.9024 -5.6294 -5.6294 -5.4176 -5.4176 -4.7219 -4.7219 -4.6458 -4.6458 -4.0214 -4.0214 -2.4122 -2.4122 -2.1694 -2.1694 -1.6675 -1.6675 -1.5071 -1.5071 -0.5968 -0.5968 1.9327 1.9327 2.2058 2.2058 2.2577 2.2577 2.3239 2.3239 2.6154 2.6154 2.9635 2.9635 2.9862 2.9862 3.2197 3.2197 3.5323 3.5323 3.6631 3.6631 3.9537 3.9537 4.1131 4.1131 4.1830 4.1830 4.3106 4.3106 5.0760 5.0760 5.1857 5.1857 5.4894 5.4894 5.5330 5.5330 5.8939 5.8939 5.9300 5.9300 6.3128 6.3128 7.2354 7.2354 7.5902 7.5902 7.6272 7.6272 7.8609 7.8609 8.2143 8.2143 8.2795 8.2795 8.4415 8.4415 k = 0.1533 0.2656 0.0891 ( 7726 PWs) bands (ev): -6.0638 -6.0638 -5.9556 -5.9556 -5.6771 -5.6771 -5.4637 -5.4637 -4.7482 -4.7482 -4.6768 -4.6768 -4.0643 -4.0643 -2.4036 -2.4036 -2.1363 -2.1363 -1.6076 -1.6076 -1.4241 -1.4241 -0.5308 -0.5308 2.0038 2.0038 2.2878 2.2878 2.3395 2.3395 2.4030 2.4030 2.6448 2.6448 3.0285 3.0285 3.0663 3.0663 3.2726 3.2726 3.6186 3.6186 3.7520 3.7520 3.9972 3.9972 4.1470 4.1470 4.2224 4.2224 4.3609 4.3609 5.1321 5.1321 5.2629 5.2629 5.5112 5.5112 5.5721 5.5721 5.8872 5.8872 5.9251 5.9251 6.3277 6.3277 7.2117 7.2117 7.6325 7.6325 7.6837 7.6837 7.8335 7.8335 8.1334 8.1334 8.2161 8.2161 8.3944 8.3944 k = 0.1467 0.2540 0.0891 ( 7726 PWs) bands (ev): -6.1151 -6.1151 -6.0070 -6.0070 -5.7233 -5.7233 -5.5086 -5.5086 -4.7743 -4.7743 -4.7082 -4.7082 -4.1052 -4.1052 -2.3975 -2.3975 -2.1056 -2.1056 -1.5511 -1.5511 -1.3421 -1.3421 -0.4659 -0.4659 2.0810 2.0810 2.3626 2.3626 2.4258 2.4258 2.4961 2.4961 2.6828 2.6828 3.0829 3.0829 3.1501 3.1501 3.3271 3.3271 3.7041 3.7041 3.8355 3.8355 4.0404 4.0404 4.1898 4.1898 4.2650 4.2650 4.4206 4.4206 5.1792 5.1792 5.3331 5.3331 5.5275 5.5275 5.6114 5.6114 5.8860 5.8860 5.9267 5.9267 6.3449 6.3449 7.1860 7.1860 7.6653 7.6653 7.7266 7.7266 7.8198 7.8198 8.0562 8.0562 8.1603 8.1603 8.3519 8.3519 k = 0.1400 0.2425 0.0891 ( 7738 PWs) bands (ev): -6.1646 -6.1646 -6.0564 -6.0564 -5.7680 -5.7680 -5.5522 -5.5522 -4.8003 -4.8003 -4.7398 -4.7398 -4.1441 -4.1441 -2.3937 -2.3937 -2.0775 -2.0775 -1.4981 -1.4981 -1.2615 -1.2615 -0.4022 -0.4022 2.1638 2.1638 2.4316 2.4316 2.5207 2.5207 2.5961 2.5961 2.7313 2.7313 3.1294 3.1294 3.2273 3.2273 3.3898 3.3898 3.7869 3.7869 3.9105 3.9105 4.0919 4.0919 4.2392 4.2392 4.3124 4.3124 4.4858 4.4858 5.2152 5.2152 5.3912 5.3912 5.5413 5.5413 5.6477 5.6477 5.8937 5.8937 5.9394 5.9394 6.3653 6.3653 7.1590 7.1590 7.6762 7.6762 7.7371 7.7371 7.8245 7.8245 7.9980 7.9980 8.1208 8.1208 8.3134 8.3134 k = 0.1333 0.2309 0.0891 ( 7740 PWs) bands (ev): -6.2120 -6.2120 -6.1039 -6.1039 -5.8111 -5.8111 -5.5942 -5.5942 -4.8259 -4.8259 -4.7715 -4.7715 -4.1810 -4.1810 -2.3921 -2.3921 -2.0518 -2.0518 -1.4490 -1.4490 -1.1826 -1.1826 -0.3396 -0.3396 2.2520 2.2520 2.5000 2.5000 2.6220 2.6220 2.6949 2.6949 2.7948 2.7948 3.1696 3.1696 3.2894 3.2894 3.4685 3.4685 3.8645 3.8645 3.9755 3.9755 4.1573 4.1573 4.2923 4.2923 4.3649 4.3649 4.5552 4.5552 5.2388 5.2388 5.4313 5.4313 5.5550 5.5550 5.6810 5.6810 5.9127 5.9127 5.9653 5.9653 6.3891 6.3891 7.1309 7.1309 7.6609 7.6609 7.7225 7.7225 7.8025 7.8025 7.9888 7.9888 8.1068 8.1068 8.2795 8.2795 k = 0.1267 0.2194 0.0891 ( 7738 PWs) bands (ev): -6.2574 -6.2574 -6.1494 -6.1494 -5.8524 -5.8524 -5.6347 -5.6347 -4.8510 -4.8510 -4.8028 -4.8028 -4.2161 -4.2161 -2.3924 -2.3924 -2.0286 -2.0286 -1.4039 -1.4039 -1.1055 -1.1055 -0.2782 -0.2782 2.3450 2.3450 2.5709 2.5709 2.7276 2.7276 2.7836 2.7836 2.8805 2.8805 3.2050 3.2050 3.3369 3.3369 3.5625 3.5625 3.9347 3.9347 4.0340 4.0340 4.2351 4.2351 4.3478 4.3478 4.4212 4.4212 4.6285 4.6285 5.2500 5.2500 5.4494 5.4494 5.5714 5.5714 5.7125 5.7125 5.9430 5.9430 6.0039 6.0039 6.4165 6.4165 7.1021 7.1021 7.6277 7.6277 7.6896 7.6896 7.7460 7.7460 8.0151 8.0151 8.1179 8.1179 8.2528 8.2528 k = 0.1200 0.2078 0.0891 ( 7738 PWs) bands (ev): -6.3007 -6.3007 -6.1927 -6.1927 -5.8921 -5.8921 -5.6736 -5.6736 -4.8755 -4.8755 -4.8337 -4.8337 -4.2493 -4.2493 -2.3944 -2.3944 -2.0079 -2.0079 -1.3628 -1.3628 -1.0307 -1.0307 -0.2182 -0.2182 2.4422 2.4422 2.6458 2.6458 2.8326 2.8326 2.8662 2.8662 2.9854 2.9854 3.2376 3.2376 3.3767 3.3767 3.6657 3.6657 3.9964 3.9964 4.0911 4.0911 4.3175 4.3175 4.4080 4.4080 4.4792 4.4792 4.7058 4.7058 5.2503 5.2503 5.4480 5.4480 5.5912 5.5912 5.7438 5.7438 5.9809 5.9809 6.0523 6.0523 6.4468 6.4468 7.0730 7.0730 7.5807 7.5807 7.6461 7.6461 7.6853 7.6853 8.0368 8.0368 8.1431 8.1431 8.2385 8.2385 k = 0.1133 0.1963 0.0891 ( 7726 PWs) bands (ev): -6.3418 -6.3418 -6.2339 -6.2339 -5.9298 -5.9298 -5.7107 -5.7107 -4.8993 -4.8993 -4.8639 -4.8639 -4.2807 -4.2807 -2.3978 -2.3978 -1.9895 -1.9895 -1.3257 -1.3257 -0.9584 -0.9584 -0.1598 -0.1598 2.5430 2.5430 2.7251 2.7251 2.9210 2.9210 2.9657 2.9657 3.0979 3.0979 3.2697 3.2697 3.4161 3.4161 3.7724 3.7724 4.0509 4.0509 4.1502 4.1502 4.3921 4.3921 4.4802 4.4802 4.5365 4.5365 4.7866 4.7866 5.2418 5.2418 5.4336 5.4336 5.6137 5.6137 5.7758 5.7758 6.0206 6.0206 6.1069 6.1069 6.4782 6.4782 7.0439 7.0439 7.5235 7.5235 7.5955 7.5955 7.6370 7.6370 8.0344 8.0344 8.1679 8.1679 8.2404 8.2404 k = 0.1067 0.1848 0.0891 ( 7748 PWs) bands (ev): -6.3808 -6.3808 -6.2730 -6.2730 -5.9657 -5.9657 -5.7460 -5.7460 -4.9223 -4.9223 -4.8932 -4.8932 -4.3103 -4.3103 -2.4023 -2.4023 -1.9733 -1.9733 -1.2926 -1.2926 -0.8890 -0.8890 -0.1030 -0.1030 2.6466 2.6466 2.8091 2.8091 2.9970 2.9970 3.0806 3.0806 3.2069 3.2069 3.3058 3.3058 3.4625 3.4625 3.8781 3.8781 4.1002 4.1002 4.2122 4.2122 4.4515 4.4515 4.5669 4.5669 4.5925 4.5925 4.8695 4.8695 5.2272 5.2272 5.4117 5.4117 5.6389 5.6389 5.8093 5.8093 6.0581 6.0581 6.1620 6.1620 6.5075 6.5075 7.0155 7.0155 7.4647 7.4647 7.5426 7.5426 7.6024 7.6024 8.0076 8.0076 8.1759 8.1759 8.2524 8.2524 k = 0.1000 0.1732 0.0891 ( 7768 PWs) bands (ev): -6.4176 -6.4176 -6.3098 -6.3098 -5.9997 -5.9997 -5.7794 -5.7794 -4.9443 -4.9443 -4.9214 -4.9214 -4.3381 -4.3381 -2.4078 -2.4078 -1.9592 -1.9592 -1.2633 -1.2633 -0.8226 -0.8226 -0.0483 -0.0483 2.7521 2.7521 2.8978 2.8978 3.0697 3.0697 3.1996 3.1996 3.2930 3.2930 3.3590 3.3590 3.5258 3.5258 3.9787 3.9787 4.1466 4.1466 4.2785 4.2785 4.5006 4.5006 4.6377 4.6377 4.6688 4.6688 4.9518 4.9518 5.2094 5.2094 5.3861 5.3861 5.6679 5.6679 5.8451 5.8451 6.0909 6.0909 6.2111 6.2111 6.5306 6.5306 6.9893 6.9893 7.4119 7.4119 7.4972 7.4972 7.5748 7.5748 7.9617 7.9617 8.1566 8.1566 8.2570 8.2570 k = 0.0933 0.1617 0.0891 ( 7768 PWs) bands (ev): -6.4522 -6.4522 -6.3445 -6.3445 -6.0316 -6.0316 -5.8109 -5.8109 -4.9653 -4.9653 -4.9484 -4.9484 -4.3642 -4.3642 -2.4140 -2.4140 -1.9471 -1.9471 -1.2375 -1.2375 -0.7595 -0.7595 0.0042 0.0042 2.8580 2.8580 2.9910 2.9910 3.1389 3.1389 3.3148 3.3148 3.3497 3.3497 3.4366 3.4366 3.6149 3.6149 4.0690 4.0690 4.1921 4.1921 4.3507 4.3507 4.5441 4.5441 4.6866 4.6866 4.7639 4.7639 5.0287 5.0287 5.1921 5.1921 5.3601 5.3601 5.7022 5.7022 5.8835 5.8835 6.1173 6.1173 6.2470 6.2470 6.5439 6.5439 6.9671 6.9671 7.3700 7.3700 7.4650 7.4650 7.5524 7.5524 7.8977 7.8977 8.1095 8.1095 8.2338 8.2338 k = 0.0867 0.1501 0.0891 ( 7760 PWs) bands (ev): -6.4845 -6.4845 -6.3768 -6.3768 -6.0615 -6.0615 -5.8405 -5.8405 -4.9853 -4.9853 -4.9741 -4.9741 -4.3885 -4.3885 -2.4206 -2.4206 -1.9366 -1.9366 -1.2151 -1.2151 -0.7000 -0.7000 0.0542 0.0542 2.9619 2.9619 3.0882 3.0882 3.2042 3.2042 3.3741 3.3741 3.4497 3.4497 3.5223 3.5223 3.7268 3.7268 4.1441 4.1441 4.2386 4.2386 4.4297 4.4297 4.5842 4.5842 4.7319 4.7319 4.8548 4.8548 5.0900 5.0900 5.1836 5.1836 5.3377 5.3377 5.7433 5.7433 5.9250 5.9250 6.1347 6.1347 6.2633 6.2633 6.5469 6.5469 6.9508 6.9508 7.3415 7.3415 7.4473 7.4473 7.5363 7.5363 7.8154 7.8154 8.0375 8.0375 8.1815 8.1815 k = 0.0800 0.1386 0.0891 ( 7754 PWs) bands (ev): -6.5144 -6.5144 -6.4068 -6.4068 -6.0894 -6.0894 -5.8680 -5.8680 -5.0040 -5.0040 -4.9983 -4.9983 -4.4110 -4.4110 -2.4276 -2.4276 -1.9278 -1.9278 -1.1958 -1.1958 -0.6443 -0.6443 0.1015 0.1015 3.0594 3.0594 3.1886 3.1886 3.2692 3.2692 3.4105 3.4105 3.5654 3.5654 3.6206 3.6206 3.8511 3.8511 4.2018 4.2018 4.2878 4.2878 4.5131 4.5131 4.6219 4.6219 4.7760 4.7760 4.9354 4.9354 5.1162 5.1162 5.1978 5.1978 5.3272 5.3272 5.7919 5.7919 5.9691 5.9691 6.1391 6.1391 6.2567 6.2567 6.5444 6.5444 6.9406 6.9406 7.3265 7.3265 7.4372 7.4372 7.5304 7.5304 7.7207 7.7207 7.9424 7.9424 8.1225 8.1225 k = 0.0733 0.1270 0.0891 ( 7764 PWs) bands (ev): -6.5421 -6.5421 -6.4345 -6.4345 -6.1151 -6.1151 -5.8935 -5.8935 -5.0217 -5.0217 -5.0207 -5.0207 -4.4317 -4.4317 -2.4347 -2.4347 -1.9204 -1.9204 -1.1793 -1.1793 -0.5926 -0.5926 0.1457 0.1457 3.1441 3.1441 3.2897 3.2897 3.3423 3.3423 3.4456 3.4456 3.6759 3.6759 3.7352 3.7352 3.9795 3.9795 4.2450 4.2450 4.3394 4.3394 4.5943 4.5943 4.6582 4.6582 4.8209 4.8209 4.9974 4.9974 5.1234 5.1234 5.2120 5.2120 5.3437 5.3437 5.8467 5.8467 6.0134 6.0134 6.1266 6.1266 6.2287 6.2287 6.5461 6.5461 6.9348 6.9348 7.3209 7.3209 7.4206 7.4206 7.5287 7.5287 7.6377 7.6377 7.8314 7.8314 8.0711 8.0711 k = 0.0667 0.1155 0.0891 ( 7784 PWs) bands (ev): -6.5674 -6.5674 -6.4599 -6.4599 -6.1387 -6.1387 -5.9169 -5.9169 -5.0419 -5.0419 -5.0376 -5.0376 -4.4507 -4.4507 -2.4417 -2.4417 -1.9143 -1.9143 -1.1654 -1.1654 -0.5450 -0.5450 0.1866 0.1866 3.2106 3.2106 3.3851 3.3851 3.4312 3.4312 3.4857 3.4857 3.7857 3.7857 3.8587 3.8587 4.1062 4.1062 4.2784 4.2784 4.3925 4.3925 4.6638 4.6638 4.6952 4.6952 4.8675 4.8675 5.0326 5.0326 5.1410 5.1410 5.2124 5.2124 5.3839 5.3839 5.9011 5.9011 6.0421 6.0421 6.1079 6.1079 6.1891 6.1891 6.5606 6.5606 6.9304 6.9304 7.3026 7.3026 7.3940 7.3940 7.4907 7.4907 7.6262 7.6262 7.7187 7.7187 8.0265 8.0265 k = 0.0600 0.1039 0.0891 ( 7780 PWs) bands (ev): -6.5904 -6.5904 -6.4829 -6.4829 -6.1601 -6.1601 -5.9381 -5.9381 -5.0610 -5.0610 -5.0524 -5.0524 -4.4680 -4.4680 -2.4485 -2.4485 -1.9093 -1.9093 -1.1536 -1.1536 -0.5016 -0.5016 0.2241 0.2241 3.2609 3.2609 3.4606 3.4606 3.5273 3.5273 3.5527 3.5527 3.8979 3.8979 3.9843 3.9843 4.2243 4.2243 4.3052 4.3052 4.4491 4.4491 4.7117 4.7117 4.7371 4.7371 4.9110 4.9110 5.0536 5.0536 5.1569 5.1569 5.2258 5.2258 5.4310 5.4310 5.9319 5.9319 6.0080 6.0080 6.1260 6.1260 6.1675 6.1675 6.5900 6.5900 6.9253 6.9253 7.2290 7.2290 7.3805 7.3805 7.4404 7.4404 7.6236 7.6236 7.6644 7.6644 7.9832 7.9832 k = 0.0533 0.0924 0.0891 ( 7778 PWs) bands (ev): -6.6110 -6.6110 -6.5036 -6.5036 -6.1794 -6.1794 -5.9572 -5.9572 -5.0783 -5.0783 -5.0658 -5.0658 -4.4834 -4.4834 -2.4549 -2.4549 -1.9052 -1.9052 -1.1439 -1.1439 -0.4627 -0.4627 0.2579 0.2579 3.3005 3.3005 3.5061 3.5061 3.6229 3.6229 3.6578 3.6578 4.0116 4.0116 4.1086 4.1086 4.3181 4.3181 4.3344 4.3344 4.5139 4.5139 4.7454 4.7454 4.7764 4.7764 4.9408 4.9408 5.0786 5.0786 5.1651 5.1651 5.2611 5.2611 5.4774 5.4774 5.8994 5.8994 5.9446 5.9446 6.1547 6.1547 6.2009 6.2009 6.6291 6.6291 6.9185 6.9185 7.1270 7.1270 7.3269 7.3269 7.4209 7.4209 7.5752 7.5752 7.7011 7.7011 7.9341 7.9341 k = 0.0467 0.0808 0.0891 ( 7778 PWs) bands (ev): -6.6292 -6.6292 -6.5218 -6.5218 -6.1964 -6.1964 -5.9740 -5.9740 -5.0938 -5.0938 -5.0777 -5.0777 -4.4970 -4.4970 -2.4609 -2.4609 -1.9019 -1.9019 -1.1359 -1.1359 -0.4282 -0.4282 0.2879 0.2879 3.3336 3.3336 3.5389 3.5389 3.7244 3.7244 3.7710 3.7710 4.1239 4.1239 4.2289 4.2289 4.3409 4.3409 4.4082 4.4082 4.5881 4.5881 4.7723 4.7723 4.8086 4.8086 4.9596 4.9596 5.0931 5.0931 5.1973 5.1973 5.3026 5.3026 5.5194 5.5194 5.8191 5.8191 5.8713 5.8713 6.1983 6.1983 6.2524 6.2524 6.6655 6.6655 6.9072 6.9072 7.0387 7.0387 7.2307 7.2307 7.4229 7.4229 7.5525 7.5525 7.7125 7.7125 7.8908 7.8908 k = 0.0400 0.0693 0.0891 ( 7776 PWs) bands (ev): -6.6450 -6.6450 -6.5376 -6.5376 -6.2112 -6.2112 -5.9887 -5.9887 -5.1072 -5.1072 -5.0881 -5.0881 -4.5089 -4.5089 -2.4662 -2.4662 -1.8994 -1.8994 -1.1294 -1.1294 -0.3982 -0.3982 0.3141 0.3141 3.3621 3.3621 3.5671 3.5671 3.8259 3.8259 3.8840 3.8840 4.2302 4.2302 4.3414 4.3414 4.3556 4.3556 4.4720 4.4720 4.6619 4.6619 4.7896 4.7896 4.8382 4.8382 4.9784 4.9784 5.0985 5.0985 5.2507 5.2507 5.3457 5.3457 5.5501 5.5501 5.7241 5.7241 5.7985 5.7985 6.2338 6.2338 6.3024 6.3024 6.6797 6.6797 6.8824 6.8824 6.9992 6.9992 7.1418 7.1418 7.4145 7.4145 7.5147 7.5147 7.6973 7.6973 7.8826 7.8826 k = 0.0333 0.0577 0.0891 ( 7760 PWs) bands (ev): -6.6583 -6.6583 -6.5511 -6.5511 -6.2237 -6.2237 -6.0012 -6.0012 -5.1187 -5.1187 -5.0970 -5.0970 -4.5189 -4.5189 -2.4709 -2.4709 -1.8974 -1.8974 -1.1242 -1.1242 -0.3728 -0.3728 0.3363 0.3363 3.3866 3.3866 3.5921 3.5921 3.9233 3.9233 3.9933 3.9933 4.3210 4.3210 4.3649 4.3649 4.4489 4.4489 4.5330 4.5330 4.7231 4.7231 4.7955 4.7955 4.8689 4.8689 4.9943 4.9943 5.1184 5.1184 5.3044 5.3044 5.3897 5.3897 5.5488 5.5488 5.6273 5.6273 5.7547 5.7547 6.2360 6.2360 6.3459 6.3459 6.6644 6.6644 6.8452 6.8452 7.0034 7.0034 7.1017 7.1017 7.3603 7.3603 7.4793 7.4793 7.6909 7.6909 7.8711 7.8711 k = 0.0267 0.0462 0.0891 ( 7768 PWs) bands (ev): -6.6693 -6.6693 -6.5621 -6.5621 -6.2340 -6.2340 -6.0114 -6.0114 -5.1281 -5.1281 -5.1043 -5.1043 -4.5272 -4.5272 -2.4748 -2.4748 -1.8959 -1.8959 -1.1202 -1.1202 -0.3520 -0.3520 0.3545 0.3545 3.4072 3.4072 3.6137 3.6137 4.0126 4.0126 4.0950 4.0950 4.3619 4.3619 4.4013 4.4013 4.5459 4.5459 4.6007 4.6007 4.7679 4.7679 4.7944 4.7944 4.8994 4.8994 4.9982 4.9982 5.1614 5.1614 5.3423 5.3423 5.4280 5.4280 5.5090 5.5090 5.5408 5.5408 5.7617 5.7617 6.1921 6.1921 6.3818 6.3818 6.6299 6.6299 6.8099 6.8099 7.0096 7.0096 7.1375 7.1375 7.2677 7.2677 7.4673 7.4673 7.6784 7.6784 7.8380 7.8380 k = 0.0200 0.0346 0.0891 ( 7772 PWs) bands (ev): -6.6778 -6.6778 -6.5706 -6.5706 -6.2420 -6.2420 -6.0193 -6.0193 -5.1355 -5.1355 -5.1100 -5.1100 -4.5336 -4.5336 -2.4780 -2.4780 -1.8948 -1.8948 -1.1173 -1.1173 -0.3358 -0.3358 0.3687 0.3687 3.4238 3.4238 3.6316 3.6316 4.0896 4.0896 4.1840 4.1840 4.3679 4.3679 4.4458 4.4458 4.6368 4.6368 4.6734 4.6734 4.7834 4.7834 4.8077 4.8077 4.9254 4.9254 4.9949 4.9949 5.2035 5.2035 5.3321 5.3321 5.4243 5.4243 5.4930 5.4930 5.5075 5.5075 5.7953 5.7953 6.1191 6.1191 6.4029 6.4029 6.5772 6.5772 6.7957 6.7957 7.0245 7.0245 7.1606 7.1606 7.2348 7.2348 7.4448 7.4448 7.6500 7.6500 7.8161 7.8161 k = 0.0133 0.0231 0.0891 ( 7786 PWs) bands (ev): -6.6839 -6.6839 -6.5767 -6.5767 -6.2477 -6.2477 -6.0250 -6.0250 -5.1408 -5.1408 -5.1141 -5.1141 -4.5382 -4.5382 -2.4802 -2.4802 -1.8941 -1.8941 -1.1152 -1.1152 -0.3242 -0.3242 0.3788 0.3788 3.4359 3.4359 3.6449 3.6449 4.1493 4.1493 4.2539 4.2539 4.3702 4.3702 4.4741 4.4741 4.7196 4.7196 4.7426 4.7426 4.7791 4.7791 4.8332 4.8332 4.9417 4.9417 4.9937 4.9937 5.1949 5.1949 5.2808 5.2808 5.4113 5.4113 5.5080 5.5080 5.5383 5.5383 5.8255 5.8255 6.0489 6.0489 6.4030 6.4030 6.5198 6.5198 6.8003 6.8003 7.0358 7.0358 7.1230 7.1230 7.3119 7.3119 7.3999 7.3999 7.6216 7.6216 7.8010 7.8010 k = 0.0067 0.0115 0.0891 ( 7798 PWs) bands (ev): -6.6876 -6.6876 -6.5804 -6.5804 -6.2512 -6.2512 -6.0284 -6.0284 -5.1439 -5.1439 -5.1165 -5.1165 -4.5409 -4.5409 -2.4816 -2.4816 -1.8937 -1.8937 -1.1140 -1.1140 -0.3172 -0.3172 0.3849 0.3849 3.4433 3.4433 3.6532 3.6532 4.1874 4.1874 4.2984 4.2984 4.3713 4.3713 4.4901 4.4901 4.7705 4.7705 4.7844 4.7844 4.8080 4.8080 4.8475 4.8475 4.9418 4.9418 5.0082 5.0082 5.1309 5.1309 5.2353 5.2353 5.4391 5.4391 5.5207 5.5207 5.5741 5.5741 5.8242 5.8242 6.0162 6.0162 6.3915 6.3915 6.4737 6.4737 6.8108 6.8108 7.0179 7.0179 7.1497 7.1497 7.3064 7.3064 7.4248 7.4248 7.5872 7.5872 7.7890 7.7890 k = 0.0000 0.0000 0.0891 ( 7798 PWs) bands (ev): -6.6888 -6.6888 -6.5816 -6.5816 -6.2523 -6.2523 -6.0296 -6.0296 -5.1450 -5.1450 -5.1173 -5.1173 -4.5419 -4.5419 -2.4821 -2.4821 -1.8935 -1.8935 -1.1136 -1.1136 -0.3149 -0.3149 0.3869 0.3869 3.4458 3.4458 3.6560 3.6560 4.2005 4.2005 4.3137 4.3137 4.3716 4.3716 4.4953 4.4953 4.7696 4.7696 4.8111 4.8111 4.8406 4.8406 4.8477 4.8477 4.9312 4.9312 5.0446 5.0446 5.0726 5.0726 5.2171 5.2171 5.4592 5.4592 5.5205 5.5205 5.5931 5.5931 5.8107 5.8107 6.0139 6.0139 6.3858 6.3858 6.4545 6.4545 6.8161 6.8161 7.0073 7.0073 7.1859 7.1859 7.2618 7.2618 7.4770 7.4770 7.5529 7.5529 7.7846 7.7846 k = 0.5000 0.2887 0.0891 ( 7760 PWs) bands (ev): -4.9686 -4.9686 -4.8114 -4.8114 -4.8013 -4.8013 -4.7354 -4.7354 -4.7004 -4.7004 -4.6996 -4.6996 -3.2859 -3.2859 -3.0968 -3.0968 -2.9345 -2.9345 -2.5047 -2.5047 -2.3445 -2.3445 -1.6506 -1.6506 0.8506 0.8506 0.9660 0.9660 1.9505 1.9505 2.0891 2.0891 2.2903 2.2903 2.4164 2.4164 2.9504 2.9504 3.0452 3.0452 3.1093 3.1093 3.3232 3.3232 3.4058 3.4058 3.6732 3.6732 3.7122 3.7122 4.0754 4.0754 4.2878 4.2878 4.4044 4.4044 5.0081 5.0081 5.0449 5.0449 5.3271 5.3271 5.6252 5.6252 6.3636 6.3636 6.8487 6.8487 7.0749 7.0749 7.4230 7.4230 7.7318 7.7318 8.2219 8.2219 8.2376 8.2376 8.7371 8.7371 k = 0.5000 0.2887 0.0764 ( 7768 PWs) bands (ev): -4.9686 -4.9686 -4.8118 -4.8118 -4.8008 -4.8008 -4.7355 -4.7355 -4.7004 -4.7004 -4.6996 -4.6996 -3.2863 -3.2863 -3.0949 -3.0949 -2.9369 -2.9369 -2.5023 -2.5023 -2.3462 -2.3462 -1.6505 -1.6505 0.8466 0.8466 0.9719 0.9719 1.9230 1.9230 2.1186 2.1186 2.2846 2.2846 2.4271 2.4271 2.9492 2.9492 3.0461 3.0461 3.0947 3.0947 3.3378 3.3378 3.3904 3.3904 3.6492 3.6492 3.7327 3.7327 4.0980 4.0980 4.2762 4.2762 4.4128 4.4128 4.9545 4.9545 5.1017 5.1017 5.3232 5.3232 5.6155 5.6155 6.3415 6.3415 6.8692 6.8692 7.0946 7.0946 7.4313 7.4313 7.7209 7.7209 8.2061 8.2061 8.2407 8.2407 8.7010 8.7010 k = 0.5000 0.2887 0.0637 ( 7758 PWs) bands (ev): -4.9686 -4.9686 -4.8127 -4.8127 -4.7997 -4.7997 -4.7357 -4.7357 -4.7004 -4.7004 -4.6996 -4.6996 -3.2875 -3.2875 -3.0892 -3.0892 -2.9437 -2.9437 -2.4952 -2.4952 -2.3512 -2.3512 -1.6502 -1.6502 0.8370 0.8370 0.9871 0.9871 1.8714 1.8714 2.1730 2.1730 2.2756 2.2756 2.4534 2.4534 2.9460 2.9460 3.0411 3.0411 3.0677 3.0677 3.3457 3.3457 3.3758 3.3758 3.6053 3.6053 3.7720 3.7720 4.1457 4.1457 4.2604 4.2604 4.4263 4.4263 4.8949 4.8949 5.1684 5.1684 5.3124 5.3124 5.5921 5.5921 6.2841 6.2841 6.9219 6.9219 7.1512 7.1512 7.4552 7.4552 7.6902 7.6902 8.1678 8.1678 8.2429 8.2429 8.5771 8.5771 k = 0.5000 0.2887 0.0509 ( 7766 PWs) bands (ev): -4.9686 -4.9686 -4.8138 -4.8138 -4.7984 -4.7984 -4.7360 -4.7360 -4.7004 -4.7004 -4.6996 -4.6996 -3.2890 -3.2890 -3.0802 -3.0802 -2.9544 -2.9544 -2.4843 -2.4843 -2.3594 -2.3594 -1.6498 -1.6498 0.8257 0.8257 1.0068 1.0068 1.8191 1.8191 2.2103 2.2103 2.2898 2.2898 2.4858 2.4858 2.9415 2.9415 3.0077 3.0077 3.0635 3.0635 3.2909 3.2909 3.4144 3.4144 3.5604 3.5604 3.8195 3.8195 4.1588 4.1588 4.2939 4.2939 4.4308 4.4308 4.8481 4.8481 5.2174 5.2174 5.2968 5.2968 5.5728 5.5728 6.2067 6.2067 6.9923 6.9923 7.2385 7.2385 7.4899 7.4899 7.6472 7.6472 8.1127 8.1127 8.2435 8.2435 8.4256 8.4256 k = 0.5000 0.2887 0.0382 ( 7758 PWs) bands (ev): -4.9686 -4.9686 -4.8149 -4.8149 -4.7971 -4.7971 -4.7363 -4.7363 -4.7003 -4.7003 -4.6996 -4.6996 -3.2907 -3.2907 -3.0685 -3.0685 -2.9679 -2.9679 -2.4704 -2.4704 -2.3702 -2.3702 -1.6493 -1.6493 0.8154 0.8154 1.0270 1.0270 1.7730 1.7730 2.2113 2.2113 2.3430 2.3430 2.5165 2.5165 2.9364 2.9364 2.9715 2.9715 3.0625 3.0625 3.2323 3.2323 3.4478 3.4478 3.5266 3.5266 3.8692 3.8692 4.1339 4.1339 4.3690 4.3690 4.4262 4.4262 4.8143 4.8143 5.2323 5.2323 5.2784 5.2784 5.5822 5.5822 6.1201 6.1201 7.0711 7.0711 7.3487 7.3487 7.5120 7.5120 7.6177 7.6177 8.0453 8.0453 8.2414 8.2414 8.2675 8.2675 k = 0.5000 0.2887 0.0255 ( 7746 PWs) bands (ev): -4.9686 -4.9686 -4.8157 -4.8157 -4.7960 -4.7960 -4.7366 -4.7366 -4.7003 -4.7003 -4.6996 -4.6996 -3.2921 -3.2921 -3.0547 -3.0547 -2.9832 -2.9832 -2.4548 -2.4548 -2.3832 -2.3832 -1.6489 -1.6489 0.8073 0.8073 1.0446 1.0446 1.7369 1.7369 2.2036 2.2036 2.4051 2.4051 2.5363 2.5363 2.9299 2.9299 2.9502 2.9502 3.0489 3.0489 3.1859 3.1859 3.4572 3.4572 3.5199 3.5199 3.9144 3.9144 4.1063 4.1063 4.3849 4.3849 4.4774 4.4774 4.7863 4.7863 5.2205 5.2205 5.2554 5.2554 5.6272 5.6272 6.0319 6.0319 7.1534 7.1534 7.4556 7.4556 7.4933 7.4933 7.6504 7.6504 7.9703 7.9703 8.1032 8.1032 8.2439 8.2439 k = 0.5000 0.2887 0.0127 ( 7750 PWs) bands (ev): -4.9686 -4.9686 -4.8162 -4.8162 -4.7953 -4.7953 -4.7368 -4.7368 -4.7003 -4.7003 -4.6996 -4.6996 -3.2931 -3.2931 -3.0403 -3.0403 -2.9987 -2.9987 -2.4393 -2.4393 -2.3970 -2.3970 -1.6486 -1.6486 0.8022 0.8022 1.0565 1.0565 1.7138 1.7138 2.1977 2.1977 2.4617 2.4617 2.5361 2.5361 2.9271 2.9271 2.9480 2.9480 3.0175 3.0175 3.1634 3.1634 3.4479 3.4479 3.5325 3.5325 3.9472 3.9472 4.0873 4.0873 4.3648 4.3648 4.5546 4.5546 4.7553 4.7553 5.2043 5.2043 5.2347 5.2347 5.6877 5.6877 5.9522 5.9522 7.2367 7.2367 7.3978 7.3978 7.6180 7.6180 7.7132 7.7132 7.8937 7.8937 7.9471 7.9471 8.2434 8.2434 k = 0.5000 0.2887-0.0000 ( 7752 PWs) bands (ev): -4.9686 -4.9686 -4.8164 -4.8164 -4.7950 -4.7950 -4.7369 -4.7369 -4.7003 -4.7003 -4.6996 -4.6996 -3.2934 -3.2934 -3.0313 -3.0313 -3.0080 -3.0080 -2.4301 -2.4301 -2.4056 -2.4056 -1.6485 -1.6485 0.8005 0.8005 1.0608 1.0608 1.7058 1.7058 2.1955 2.1955 2.4973 2.4973 2.5204 2.5204 2.9279 2.9279 2.9564 2.9564 2.9931 2.9931 3.1581 3.1581 3.4430 3.4430 3.5388 3.5388 3.9593 3.9593 4.0808 4.0808 4.3554 4.3554 4.5931 4.5931 4.7348 4.7348 5.1976 5.1976 5.2265 5.2265 5.7223 5.7223 5.9121 5.9121 7.3191 7.3191 7.3191 7.3191 7.7281 7.7281 7.7514 7.7514 7.8358 7.8358 7.8465 7.8465 8.2432 8.2432 k = 0.3333 0.5774-0.0000 ( 7779 PWs) bands (ev): -4.5804 -4.5804 -4.5682 -4.5682 -4.5269 -4.5269 -4.5123 -4.5123 -4.4119 -4.4119 -4.4103 -4.4103 -3.0920 -3.0920 -3.0599 -3.0599 -3.0483 -3.0483 -3.0456 -3.0456 -2.4565 -2.4565 -2.4325 -2.4325 1.2929 1.2929 1.3054 1.3054 1.5579 1.5579 1.8141 1.8141 1.8307 1.8307 1.8448 1.8448 2.0973 2.0973 2.1106 2.1106 2.2041 2.2041 3.0255 3.0255 3.1225 3.1225 3.2596 3.2596 3.6002 3.6002 3.6506 3.6506 3.8200 3.8200 5.0687 5.0687 5.1058 5.1058 5.2633 5.2633 5.3919 5.3919 5.4602 5.4602 5.4733 5.4733 7.6883 7.6883 7.7920 7.7920 7.8150 7.8150 8.1775 8.1775 8.2273 8.2273 8.2308 8.2308 9.7705 9.7705 k = 0.3333 0.5774 0.0127 ( 7785 PWs) bands (ev): -4.5804 -4.5804 -4.5682 -4.5682 -4.5269 -4.5269 -4.5123 -4.5123 -4.4119 -4.4119 -4.4103 -4.4103 -3.0920 -3.0920 -3.0599 -3.0599 -3.0483 -3.0483 -3.0456 -3.0456 -2.4565 -2.4565 -2.4325 -2.4325 1.2935 1.2935 1.3060 1.3060 1.5600 1.5600 1.8093 1.8093 1.8249 1.8249 1.8372 1.8372 2.1060 2.1060 2.1176 2.1176 2.2137 2.2137 3.0154 3.0154 3.1071 3.1071 3.2421 3.2421 3.6170 3.6170 3.6719 3.6719 3.8327 3.8327 5.0390 5.0390 5.0743 5.0743 5.2060 5.2060 5.4470 5.4470 5.4875 5.4875 5.5042 5.5042 7.6614 7.6614 7.7605 7.7605 7.7811 7.7811 8.2135 8.2135 8.2639 8.2639 8.2644 8.2644 9.7403 9.7403 k = 0.3333 0.5774 0.0255 ( 7779 PWs) bands (ev): -4.5804 -4.5804 -4.5682 -4.5682 -4.5269 -4.5269 -4.5123 -4.5123 -4.4119 -4.4119 -4.4103 -4.4103 -3.0920 -3.0920 -3.0599 -3.0599 -3.0483 -3.0483 -3.0456 -3.0456 -2.4565 -2.4565 -2.4325 -2.4325 1.2950 1.2950 1.3076 1.3076 1.5662 1.5662 1.7968 1.7968 1.8094 1.8094 1.8176 1.8176 2.1290 2.1290 2.1364 2.1364 2.2402 2.2402 2.9875 2.9875 3.0675 3.0675 3.1994 3.1994 3.6608 3.6608 3.7260 3.7260 3.8682 3.8682 4.9682 4.9682 5.0006 5.0006 5.1130 5.1130 5.5334 5.5334 5.5510 5.5510 5.5751 5.5751 7.5961 7.5961 7.6884 7.6884 7.7060 7.7060 8.2968 8.2968 8.3482 8.3482 8.3515 8.3515 9.6647 9.6647 k = 0.3333 0.5774 0.0382 ( 7776 PWs) bands (ev): -4.5804 -4.5804 -4.5682 -4.5682 -4.5269 -4.5269 -4.5123 -4.5123 -4.4119 -4.4119 -4.4103 -4.4103 -3.0920 -3.0920 -3.0599 -3.0599 -3.0483 -3.0483 -3.0456 -3.0456 -2.4565 -2.4565 -2.4325 -2.4325 1.2972 1.2972 1.3100 1.3100 1.5764 1.5764 1.7806 1.7806 1.7852 1.7852 1.7951 1.7951 2.1601 2.1601 2.1624 2.1624 2.2780 2.2780 2.9470 2.9470 3.0166 3.0166 3.1473 3.1473 3.7187 3.7187 3.7966 3.7966 3.9203 3.9203 4.8813 4.8813 4.9118 4.9118 5.0201 5.0201 5.6171 5.6171 5.6253 5.6253 5.6571 5.6571 7.5170 7.5170 7.6054 7.6054 7.6220 7.6220 8.3979 8.3979 8.4560 8.4560 8.4610 8.4610 9.5663 9.5663 k = 0.3333 0.5774 0.0509 ( 7764 PWs) bands (ev): -4.5804 -4.5804 -4.5682 -4.5682 -4.5269 -4.5269 -4.5123 -4.5123 -4.4119 -4.4119 -4.4103 -4.4103 -3.0920 -3.0920 -3.0599 -3.0599 -3.0483 -3.0483 -3.0456 -3.0456 -2.4565 -2.4565 -2.4325 -2.4325 1.2997 1.2997 1.3127 1.3127 1.5905 1.5905 1.7549 1.7549 1.7642 1.7642 1.7758 1.7758 2.1904 2.1904 2.1932 2.1932 2.3208 2.3208 2.9002 2.9002 2.9655 2.9655 3.0969 3.0969 3.7792 3.7792 3.8717 3.8717 3.9812 3.9812 4.7930 4.7930 4.8223 4.8223 4.9358 4.9358 5.6910 5.6910 5.6957 5.6957 5.7341 5.7341 7.4406 7.4406 7.5278 7.5278 7.5444 7.5444 8.5018 8.5018 8.5716 8.5716 8.5766 8.5766 9.4587 9.4587 k = 0.3333 0.5774 0.0637 ( 7752 PWs) bands (ev): -4.5804 -4.5804 -4.5682 -4.5682 -4.5269 -4.5269 -4.5123 -4.5123 -4.4119 -4.4119 -4.4103 -4.4103 -3.0920 -3.0920 -3.0599 -3.0599 -3.0483 -3.0483 -3.0457 -3.0457 -2.4565 -2.4565 -2.4325 -2.4325 1.3020 1.3020 1.3153 1.3153 1.6079 1.6079 1.7241 1.7241 1.7507 1.7507 1.7605 1.7605 2.2152 2.2152 2.2227 2.2227 2.3621 2.3621 2.8546 2.8546 2.9226 2.9226 3.0554 3.0554 3.8327 3.8327 3.9410 3.9410 4.0412 4.0412 4.7142 4.7142 4.7422 4.7422 4.8668 4.8668 5.7497 5.7497 5.7530 5.7530 5.7966 5.7966 7.3775 7.3775 7.4651 7.4651 7.4822 7.4822 8.5964 8.5964 8.6842 8.6842 8.6870 8.6870 9.3521 9.3521 k = 0.3333 0.5774 0.0764 ( 7746 PWs) bands (ev): -4.5804 -4.5804 -4.5682 -4.5682 -4.5269 -4.5269 -4.5123 -4.5123 -4.4119 -4.4119 -4.4103 -4.4103 -3.0920 -3.0920 -3.0599 -3.0599 -3.0483 -3.0483 -3.0457 -3.0457 -2.4565 -2.4565 -2.4325 -2.4325 1.3036 1.3036 1.3171 1.3171 1.6269 1.6269 1.6965 1.6965 1.7418 1.7418 1.7507 1.7507 2.2324 2.2324 2.2434 2.2434 2.3937 2.3937 2.8196 2.8196 2.8940 2.8940 3.0280 3.0280 3.8701 3.8701 3.9925 3.9925 4.0880 4.0880 4.6569 4.6569 4.6838 4.6838 4.8207 4.8207 5.7876 5.7876 5.7906 5.7906 5.8376 5.8376 7.3357 7.3357 7.4242 7.4242 7.4419 7.4419 8.6668 8.6668 8.7757 8.7757 8.7781 8.7781 9.2619 9.2619 k = 0.3333 0.5774 0.0891 ( 7746 PWs) bands (ev): -4.5804 -4.5804 -4.5682 -4.5682 -4.5269 -4.5269 -4.5123 -4.5123 -4.4119 -4.4119 -4.4103 -4.4103 -3.0920 -3.0920 -3.0599 -3.0599 -3.0483 -3.0483 -3.0457 -3.0457 -2.4565 -2.4565 -2.4325 -2.4325 1.3042 1.3042 1.3177 1.3177 1.6387 1.6387 1.6818 1.6818 1.7387 1.7387 1.7473 1.7473 2.2386 2.2386 2.2509 2.2509 2.4059 2.4059 2.8061 2.8061 2.8839 2.8839 3.0184 3.0184 3.8836 3.8836 4.0121 4.0121 4.1063 4.1063 4.6354 4.6354 4.6617 4.6617 4.8043 4.8043 5.8008 5.8008 5.8038 5.8038 5.8520 5.8520 7.3211 7.3211 7.4100 7.4100 7.4279 7.4279 8.6938 8.6938 8.8126 8.8126 8.8191 8.8191 9.2221 9.2221 Writing output data file SbTe.save init_run : 0.89s CPU 1.07s WALL ( 1 calls) electrons : 534.79s CPU 539.83s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.04s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 534.79s CPU 539.82s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.14s CPU 0.18s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.10s WALL ( 266 calls) cegterg : 502.64s CPU 507.06s WALL ( 637 calls) Called by sum_band: Called by *egterg: h_psi : 271.24s CPU 275.66s WALL ( 11060 calls) s_psi : 32.05s CPU 31.95s WALL ( 11060 calls) g_psi : 0.36s CPU 0.34s WALL ( 10157 calls) cdiaghg : 171.69s CPU 172.22s WALL ( 10423 calls) cegterg:over : 20.46s CPU 20.43s WALL ( 10157 calls) cegterg:upda : 13.84s CPU 13.73s WALL ( 10157 calls) cegterg:last : 8.56s CPU 8.52s WALL ( 1470 calls) cdiaghg:chol : 7.22s CPU 7.50s WALL ( 10423 calls) cdiaghg:inve : 5.28s CPU 5.19s WALL ( 10423 calls) cdiaghg:para : 10.27s CPU 10.24s WALL ( 20846 calls) Called by h_psi: h_psi:vloc : 210.84s CPU 215.09s WALL ( 11060 calls) h_psi:vnl : 59.94s CPU 60.15s WALL ( 11060 calls) add_vuspsi : 32.19s CPU 32.38s WALL ( 11060 calls) General routines calbec : 27.69s CPU 27.74s WALL ( 11060 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 202.99s CPU 207.23s WALL ( 1351000 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.25s CPU 0.24s WALL ( 532 calls) Parallel routines fft_scatter : 135.92s CPU 139.36s WALL ( 1351023 calls) PWSCF : 9m36.10s CPU 9m58.45s WALL This run was terminated on: 9:56: 1 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=