Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:35:15 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 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 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: ./RbTeAu.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5D 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: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 63 25 7 5437 1345 209 Max 64 26 8 5444 1374 218 Sum 2275 913 253 195783 48873 7579 bravais-lattice index = 14 lattice parameter (alat) = 8.8451 a.u. unit-cell volume = 1328.3677 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 42.0000 Ry charge density cutoff = 424.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.845051 celldm(2)= 1.000000 celldm(3)= 2.216596 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 2.216596 ) 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 0.451142 ) PseudoPot. # 1 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 PseudoPot. # 2 for Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Au read from file: /users/gautes/Pseudo/Au.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d39daeb1f194fdf5670f47ad6d8ea3dd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1279 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 Te 6.00 127.60000 Te( 1.00) Rb 9.00 85.46780 Rb( 1.00) Au 11.00 196.96660 Au( 1.00) 12 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -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= 271 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 2) = ( 0.0128205 0.0074019 -0.0000000), wk = 0.0036900 k( 3) = ( 0.0256410 0.0148039 -0.0000000), wk = 0.0036900 k( 4) = ( 0.0384615 0.0222058 -0.0000000), wk = 0.0036900 k( 5) = ( 0.0512821 0.0296077 -0.0000000), wk = 0.0036900 k( 6) = ( 0.0641026 0.0370096 -0.0000000), wk = 0.0036900 k( 7) = ( 0.0769231 0.0444116 -0.0000000), wk = 0.0036900 k( 8) = ( 0.0897436 0.0518135 -0.0000000), wk = 0.0036900 k( 9) = ( 0.1025641 0.0592154 -0.0000000), wk = 0.0036900 k( 10) = ( 0.1153846 0.0666173 -0.0000000), wk = 0.0036900 k( 11) = ( 0.1282051 0.0740193 -0.0000000), wk = 0.0036900 k( 12) = ( 0.1410256 0.0814212 -0.0000000), wk = 0.0036900 k( 13) = ( 0.1538461 0.0888231 -0.0000000), wk = 0.0036900 k( 14) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0036900 k( 15) = ( 0.1794872 0.1036270 -0.0000000), wk = 0.0036900 k( 16) = ( 0.1923077 0.1110289 -0.0000000), wk = 0.0036900 k( 17) = ( 0.2051282 0.1184308 -0.0000000), wk = 0.0036900 k( 18) = ( 0.2179487 0.1258328 -0.0000000), wk = 0.0036900 k( 19) = ( 0.2307692 0.1332347 -0.0000000), wk = 0.0036900 k( 20) = ( 0.2435897 0.1406366 -0.0000000), wk = 0.0036900 k( 21) = ( 0.2564103 0.1480385 -0.0000000), wk = 0.0036900 k( 22) = ( 0.2692308 0.1554405 -0.0000000), wk = 0.0036900 k( 23) = ( 0.2820513 0.1628424 -0.0000000), wk = 0.0036900 k( 24) = ( 0.2948718 0.1702443 -0.0000000), wk = 0.0036900 k( 25) = ( 0.3076923 0.1776462 -0.0000000), wk = 0.0036900 k( 26) = ( 0.3205128 0.1850482 -0.0000000), wk = 0.0036900 k( 27) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0036900 k( 28) = ( 0.3461538 0.1998520 -0.0000000), wk = 0.0036900 k( 29) = ( 0.3589744 0.2072539 -0.0000000), wk = 0.0036900 k( 30) = ( 0.3717949 0.2146559 -0.0000000), wk = 0.0036900 k( 31) = ( 0.3846154 0.2220578 -0.0000000), wk = 0.0036900 k( 32) = ( 0.3974359 0.2294597 -0.0000000), wk = 0.0036900 k( 33) = ( 0.4102564 0.2368616 -0.0000000), wk = 0.0036900 k( 34) = ( 0.4230769 0.2442636 -0.0000000), wk = 0.0036900 k( 35) = ( 0.4358974 0.2516655 -0.0000000), wk = 0.0036900 k( 36) = ( 0.4487179 0.2590674 -0.0000000), wk = 0.0036900 k( 37) = ( 0.4615385 0.2664694 -0.0000000), wk = 0.0036900 k( 38) = ( 0.4743590 0.2738713 -0.0000000), wk = 0.0036900 k( 39) = ( 0.4871795 0.2812732 -0.0000000), wk = 0.0036900 k( 40) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036900 k( 41) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036900 k( 42) = ( 0.4927536 0.3012262 -0.0000000), wk = 0.0036900 k( 43) = ( 0.4855073 0.3137773 -0.0000000), wk = 0.0036900 k( 44) = ( 0.4782609 0.3263284 -0.0000000), wk = 0.0036900 k( 45) = ( 0.4710145 0.3388795 -0.0000000), wk = 0.0036900 k( 46) = ( 0.4637681 0.3514306 -0.0000000), wk = 0.0036900 k( 47) = ( 0.4565217 0.3639817 -0.0000000), wk = 0.0036900 k( 48) = ( 0.4492754 0.3765328 -0.0000000), wk = 0.0036900 k( 49) = ( 0.4420290 0.3890839 -0.0000000), wk = 0.0036900 k( 50) = ( 0.4347826 0.4016350 -0.0000000), wk = 0.0036900 k( 51) = ( 0.4275362 0.4141861 -0.0000000), wk = 0.0036900 k( 52) = ( 0.4202899 0.4267372 -0.0000000), wk = 0.0036900 k( 53) = ( 0.4130435 0.4392882 -0.0000000), wk = 0.0036900 k( 54) = ( 0.4057971 0.4518393 -0.0000000), wk = 0.0036900 k( 55) = ( 0.3985507 0.4643904 -0.0000000), wk = 0.0036900 k( 56) = ( 0.3913044 0.4769415 -0.0000000), wk = 0.0036900 k( 57) = ( 0.3840580 0.4894926 -0.0000000), wk = 0.0036900 k( 58) = ( 0.3768116 0.5020437 -0.0000000), wk = 0.0036900 k( 59) = ( 0.3695652 0.5145948 -0.0000000), wk = 0.0036900 k( 60) = ( 0.3623188 0.5271459 -0.0000000), wk = 0.0036900 k( 61) = ( 0.3550725 0.5396970 -0.0000000), wk = 0.0036900 k( 62) = ( 0.3478261 0.5522481 -0.0000000), wk = 0.0036900 k( 63) = ( 0.3405797 0.5647992 -0.0000000), wk = 0.0036900 k( 64) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036900 k( 65) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036900 k( 66) = ( 0.3259259 0.5645203 -0.0000000), wk = 0.0036900 k( 67) = ( 0.3185185 0.5516903 -0.0000000), wk = 0.0036900 k( 68) = ( 0.3111111 0.5388602 -0.0000000), wk = 0.0036900 k( 69) = ( 0.3037037 0.5260302 -0.0000000), wk = 0.0036900 k( 70) = ( 0.2962963 0.5132002 -0.0000000), wk = 0.0036900 k( 71) = ( 0.2888889 0.5003702 -0.0000000), wk = 0.0036900 k( 72) = ( 0.2814815 0.4875402 -0.0000000), wk = 0.0036900 k( 73) = ( 0.2740741 0.4747102 -0.0000000), wk = 0.0036900 k( 74) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0036900 k( 75) = ( 0.2592593 0.4490502 -0.0000000), wk = 0.0036900 k( 76) = ( 0.2518518 0.4362202 -0.0000000), wk = 0.0036900 k( 77) = ( 0.2444444 0.4233902 -0.0000000), wk = 0.0036900 k( 78) = ( 0.2370370 0.4105602 -0.0000000), wk = 0.0036900 k( 79) = ( 0.2296296 0.3977302 -0.0000000), wk = 0.0036900 k( 80) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0036900 k( 81) = ( 0.2148148 0.3720702 -0.0000000), wk = 0.0036900 k( 82) = ( 0.2074074 0.3592402 -0.0000000), wk = 0.0036900 k( 83) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0036900 k( 84) = ( 0.1925926 0.3335802 -0.0000000), wk = 0.0036900 k( 85) = ( 0.1851852 0.3207502 -0.0000000), wk = 0.0036900 k( 86) = ( 0.1777778 0.3079201 -0.0000000), wk = 0.0036900 k( 87) = ( 0.1703704 0.2950901 -0.0000000), wk = 0.0036900 k( 88) = ( 0.1629630 0.2822601 -0.0000000), wk = 0.0036900 k( 89) = ( 0.1555556 0.2694301 -0.0000000), wk = 0.0036900 k( 90) = ( 0.1481482 0.2566001 -0.0000000), wk = 0.0036900 k( 91) = ( 0.1407407 0.2437701 -0.0000000), wk = 0.0036900 k( 92) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0036900 k( 93) = ( 0.1259259 0.2181101 -0.0000000), wk = 0.0036900 k( 94) = ( 0.1185185 0.2052801 -0.0000000), wk = 0.0036900 k( 95) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0036900 k( 96) = ( 0.1037037 0.1796201 -0.0000000), wk = 0.0036900 k( 97) = ( 0.0962963 0.1667901 -0.0000000), wk = 0.0036900 k( 98) = ( 0.0888889 0.1539601 -0.0000000), wk = 0.0036900 k( 99) = ( 0.0814815 0.1411301 -0.0000000), wk = 0.0036900 k( 100) = ( 0.0740741 0.1283001 -0.0000000), wk = 0.0036900 k( 101) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0036900 k( 102) = ( 0.0592593 0.1026400 -0.0000000), wk = 0.0036900 k( 103) = ( 0.0518518 0.0898100 -0.0000000), wk = 0.0036900 k( 104) = ( 0.0444444 0.0769800 -0.0000000), wk = 0.0036900 k( 105) = ( 0.0370370 0.0641500 -0.0000000), wk = 0.0036900 k( 106) = ( 0.0296296 0.0513200 -0.0000000), wk = 0.0036900 k( 107) = ( 0.0222222 0.0384900 -0.0000000), wk = 0.0036900 k( 108) = ( 0.0148148 0.0256600 -0.0000000), wk = 0.0036900 k( 109) = ( 0.0074074 0.0128300 -0.0000000), wk = 0.0036900 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 112) = ( 0.0000000 0.0000000 0.0140982), wk = 0.0036900 k( 113) = ( 0.0000000 0.0000000 0.0281964), wk = 0.0036900 k( 114) = ( 0.0000000 0.0000000 0.0422946), wk = 0.0036900 k( 115) = ( 0.0000000 0.0000000 0.0563928), wk = 0.0036900 k( 116) = ( 0.0000000 0.0000000 0.0704910), wk = 0.0036900 k( 117) = ( 0.0000000 0.0000000 0.0845892), wk = 0.0036900 k( 118) = ( 0.0000000 0.0000000 0.0986873), wk = 0.0036900 k( 119) = ( 0.0000000 0.0000000 0.1127855), wk = 0.0036900 k( 120) = ( 0.0000000 0.0000000 0.1268837), wk = 0.0036900 k( 121) = ( 0.0000000 0.0000000 0.1409819), wk = 0.0036900 k( 122) = ( 0.0000000 0.0000000 0.1550801), wk = 0.0036900 k( 123) = ( 0.0000000 0.0000000 0.1691783), wk = 0.0036900 k( 124) = ( 0.0000000 0.0000000 0.1832765), wk = 0.0036900 k( 125) = ( 0.0000000 0.0000000 0.1973747), wk = 0.0036900 k( 126) = ( 0.0000000 0.0000000 0.2114729), wk = 0.0036900 k( 127) = ( 0.0000000 0.0000000 0.2255711), wk = 0.0036900 k( 128) = ( 0.0000000 0.0000000 0.2255711), wk = 0.0036900 k( 129) = ( 0.0128205 0.0074019 0.2255711), wk = 0.0036900 k( 130) = ( 0.0256410 0.0148039 0.2255711), wk = 0.0036900 k( 131) = ( 0.0384615 0.0222058 0.2255711), wk = 0.0036900 k( 132) = ( 0.0512821 0.0296077 0.2255711), wk = 0.0036900 k( 133) = ( 0.0641026 0.0370096 0.2255711), wk = 0.0036900 k( 134) = ( 0.0769231 0.0444116 0.2255711), wk = 0.0036900 k( 135) = ( 0.0897436 0.0518135 0.2255711), wk = 0.0036900 k( 136) = ( 0.1025641 0.0592154 0.2255711), wk = 0.0036900 k( 137) = ( 0.1153846 0.0666173 0.2255711), wk = 0.0036900 k( 138) = ( 0.1282051 0.0740193 0.2255711), wk = 0.0036900 k( 139) = ( 0.1410256 0.0814212 0.2255711), wk = 0.0036900 k( 140) = ( 0.1538461 0.0888231 0.2255711), wk = 0.0036900 k( 141) = ( 0.1666667 0.0962250 0.2255711), wk = 0.0036900 k( 142) = ( 0.1794872 0.1036270 0.2255711), wk = 0.0036900 k( 143) = ( 0.1923077 0.1110289 0.2255711), wk = 0.0036900 k( 144) = ( 0.2051282 0.1184308 0.2255711), wk = 0.0036900 k( 145) = ( 0.2179487 0.1258328 0.2255711), wk = 0.0036900 k( 146) = ( 0.2307692 0.1332347 0.2255711), wk = 0.0036900 k( 147) = ( 0.2435897 0.1406366 0.2255711), wk = 0.0036900 k( 148) = ( 0.2564103 0.1480385 0.2255711), wk = 0.0036900 k( 149) = ( 0.2692308 0.1554405 0.2255711), wk = 0.0036900 k( 150) = ( 0.2820513 0.1628424 0.2255711), wk = 0.0036900 k( 151) = ( 0.2948718 0.1702443 0.2255711), wk = 0.0036900 k( 152) = ( 0.3076923 0.1776462 0.2255711), wk = 0.0036900 k( 153) = ( 0.3205128 0.1850482 0.2255711), wk = 0.0036900 k( 154) = ( 0.3333333 0.1924501 0.2255711), wk = 0.0036900 k( 155) = ( 0.3461538 0.1998520 0.2255711), wk = 0.0036900 k( 156) = ( 0.3589744 0.2072539 0.2255711), wk = 0.0036900 k( 157) = ( 0.3717949 0.2146559 0.2255711), wk = 0.0036900 k( 158) = ( 0.3846154 0.2220578 0.2255711), wk = 0.0036900 k( 159) = ( 0.3974359 0.2294597 0.2255711), wk = 0.0036900 k( 160) = ( 0.4102564 0.2368616 0.2255711), wk = 0.0036900 k( 161) = ( 0.4230769 0.2442636 0.2255711), wk = 0.0036900 k( 162) = ( 0.4358974 0.2516655 0.2255711), wk = 0.0036900 k( 163) = ( 0.4487179 0.2590674 0.2255711), wk = 0.0036900 k( 164) = ( 0.4615385 0.2664694 0.2255711), wk = 0.0036900 k( 165) = ( 0.4743590 0.2738713 0.2255711), wk = 0.0036900 k( 166) = ( 0.4871795 0.2812732 0.2255711), wk = 0.0036900 k( 167) = ( 0.5000000 0.2886751 0.2255711), wk = 0.0036900 k( 168) = ( 0.5000000 0.2886751 0.2255711), wk = 0.0036900 k( 169) = ( 0.4927536 0.3012262 0.2255711), wk = 0.0036900 k( 170) = ( 0.4855073 0.3137773 0.2255711), wk = 0.0036900 k( 171) = ( 0.4782609 0.3263284 0.2255711), wk = 0.0036900 k( 172) = ( 0.4710145 0.3388795 0.2255711), wk = 0.0036900 k( 173) = ( 0.4637681 0.3514306 0.2255711), wk = 0.0036900 k( 174) = ( 0.4565217 0.3639817 0.2255711), wk = 0.0036900 k( 175) = ( 0.4492754 0.3765328 0.2255711), wk = 0.0036900 k( 176) = ( 0.4420290 0.3890839 0.2255711), wk = 0.0036900 k( 177) = ( 0.4347826 0.4016350 0.2255711), wk = 0.0036900 k( 178) = ( 0.4275362 0.4141861 0.2255711), wk = 0.0036900 k( 179) = ( 0.4202899 0.4267372 0.2255711), wk = 0.0036900 k( 180) = ( 0.4130435 0.4392882 0.2255711), wk = 0.0036900 k( 181) = ( 0.4057971 0.4518393 0.2255711), wk = 0.0036900 k( 182) = ( 0.3985507 0.4643904 0.2255711), wk = 0.0036900 k( 183) = ( 0.3913044 0.4769415 0.2255711), wk = 0.0036900 k( 184) = ( 0.3840580 0.4894926 0.2255711), wk = 0.0036900 k( 185) = ( 0.3768116 0.5020437 0.2255711), wk = 0.0036900 k( 186) = ( 0.3695652 0.5145948 0.2255711), wk = 0.0036900 k( 187) = ( 0.3623188 0.5271459 0.2255711), wk = 0.0036900 k( 188) = ( 0.3550725 0.5396970 0.2255711), wk = 0.0036900 k( 189) = ( 0.3478261 0.5522481 0.2255711), wk = 0.0036900 k( 190) = ( 0.3405797 0.5647992 0.2255711), wk = 0.0036900 k( 191) = ( 0.3333333 0.5773503 0.2255711), wk = 0.0036900 k( 192) = ( 0.3333333 0.5773503 0.2255711), wk = 0.0036900 k( 193) = ( 0.3259259 0.5645203 0.2255711), wk = 0.0036900 k( 194) = ( 0.3185185 0.5516903 0.2255711), wk = 0.0036900 k( 195) = ( 0.3111111 0.5388602 0.2255711), wk = 0.0036900 k( 196) = ( 0.3037037 0.5260302 0.2255711), wk = 0.0036900 k( 197) = ( 0.2962963 0.5132002 0.2255711), wk = 0.0036900 k( 198) = ( 0.2888889 0.5003702 0.2255711), wk = 0.0036900 k( 199) = ( 0.2814815 0.4875402 0.2255711), wk = 0.0036900 k( 200) = ( 0.2740741 0.4747102 0.2255711), wk = 0.0036900 k( 201) = ( 0.2666667 0.4618802 0.2255711), wk = 0.0036900 k( 202) = ( 0.2592593 0.4490502 0.2255711), wk = 0.0036900 k( 203) = ( 0.2518518 0.4362202 0.2255711), wk = 0.0036900 k( 204) = ( 0.2444444 0.4233902 0.2255711), wk = 0.0036900 k( 205) = ( 0.2370370 0.4105602 0.2255711), wk = 0.0036900 k( 206) = ( 0.2296296 0.3977302 0.2255711), wk = 0.0036900 k( 207) = ( 0.2222222 0.3849002 0.2255711), wk = 0.0036900 k( 208) = ( 0.2148148 0.3720702 0.2255711), wk = 0.0036900 k( 209) = ( 0.2074074 0.3592402 0.2255711), wk = 0.0036900 k( 210) = ( 0.2000000 0.3464102 0.2255711), wk = 0.0036900 k( 211) = ( 0.1925926 0.3335802 0.2255711), wk = 0.0036900 k( 212) = ( 0.1851852 0.3207502 0.2255711), wk = 0.0036900 k( 213) = ( 0.1777778 0.3079201 0.2255711), wk = 0.0036900 k( 214) = ( 0.1703704 0.2950901 0.2255711), wk = 0.0036900 k( 215) = ( 0.1629630 0.2822601 0.2255711), wk = 0.0036900 k( 216) = ( 0.1555556 0.2694301 0.2255711), wk = 0.0036900 k( 217) = ( 0.1481482 0.2566001 0.2255711), wk = 0.0036900 k( 218) = ( 0.1407407 0.2437701 0.2255711), wk = 0.0036900 k( 219) = ( 0.1333333 0.2309401 0.2255711), wk = 0.0036900 k( 220) = ( 0.1259259 0.2181101 0.2255711), wk = 0.0036900 k( 221) = ( 0.1185185 0.2052801 0.2255711), wk = 0.0036900 k( 222) = ( 0.1111111 0.1924501 0.2255711), wk = 0.0036900 k( 223) = ( 0.1037037 0.1796201 0.2255711), wk = 0.0036900 k( 224) = ( 0.0962963 0.1667901 0.2255711), wk = 0.0036900 k( 225) = ( 0.0888889 0.1539601 0.2255711), wk = 0.0036900 k( 226) = ( 0.0814815 0.1411301 0.2255711), wk = 0.0036900 k( 227) = ( 0.0740741 0.1283001 0.2255711), wk = 0.0036900 k( 228) = ( 0.0666667 0.1154701 0.2255711), wk = 0.0036900 k( 229) = ( 0.0592593 0.1026400 0.2255711), wk = 0.0036900 k( 230) = ( 0.0518518 0.0898100 0.2255711), wk = 0.0036900 k( 231) = ( 0.0444444 0.0769800 0.2255711), wk = 0.0036900 k( 232) = ( 0.0370370 0.0641500 0.2255711), wk = 0.0036900 k( 233) = ( 0.0296296 0.0513200 0.2255711), wk = 0.0036900 k( 234) = ( 0.0222222 0.0384900 0.2255711), wk = 0.0036900 k( 235) = ( 0.0148148 0.0256600 0.2255711), wk = 0.0036900 k( 236) = ( 0.0074074 0.0128300 0.2255711), wk = 0.0036900 k( 237) = ( 0.0000000 0.0000000 0.2255711), wk = 0.0036900 k( 238) = ( 0.5000000 0.2886751 0.2255711), wk = 0.0036900 k( 239) = ( 0.5000000 0.2886751 0.2114729), wk = 0.0036900 k( 240) = ( 0.5000000 0.2886751 0.1973747), wk = 0.0036900 k( 241) = ( 0.5000000 0.2886751 0.1832765), wk = 0.0036900 k( 242) = ( 0.5000000 0.2886751 0.1691783), wk = 0.0036900 k( 243) = ( 0.5000000 0.2886751 0.1550801), wk = 0.0036900 k( 244) = ( 0.5000000 0.2886751 0.1409819), wk = 0.0036900 k( 245) = ( 0.5000000 0.2886751 0.1268837), wk = 0.0036900 k( 246) = ( 0.5000000 0.2886751 0.1127855), wk = 0.0036900 k( 247) = ( 0.5000000 0.2886751 0.0986873), wk = 0.0036900 k( 248) = ( 0.5000000 0.2886751 0.0845892), wk = 0.0036900 k( 249) = ( 0.5000000 0.2886751 0.0704910), wk = 0.0036900 k( 250) = ( 0.5000000 0.2886751 0.0563928), wk = 0.0036900 k( 251) = ( 0.5000000 0.2886751 0.0422946), wk = 0.0036900 k( 252) = ( 0.5000000 0.2886751 0.0281964), wk = 0.0036900 k( 253) = ( 0.5000000 0.2886751 0.0140982), wk = 0.0036900 k( 254) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0036900 k( 255) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0036900 k( 256) = ( 0.3333333 0.5773503 0.0140982), wk = 0.0036900 k( 257) = ( 0.3333333 0.5773503 0.0281964), wk = 0.0036900 k( 258) = ( 0.3333333 0.5773503 0.0422946), wk = 0.0036900 k( 259) = ( 0.3333333 0.5773503 0.0563928), wk = 0.0036900 k( 260) = ( 0.3333333 0.5773503 0.0704910), wk = 0.0036900 k( 261) = ( 0.3333333 0.5773503 0.0845892), wk = 0.0036900 k( 262) = ( 0.3333333 0.5773503 0.0986873), wk = 0.0036900 k( 263) = ( 0.3333333 0.5773503 0.1127855), wk = 0.0036900 k( 264) = ( 0.3333333 0.5773503 0.1268837), wk = 0.0036900 k( 265) = ( 0.3333333 0.5773503 0.1409819), wk = 0.0036900 k( 266) = ( 0.3333333 0.5773503 0.1550801), wk = 0.0036900 k( 267) = ( 0.3333333 0.5773503 0.1691783), wk = 0.0036900 k( 268) = ( 0.3333333 0.5773503 0.1832765), wk = 0.0036900 k( 269) = ( 0.3333333 0.5773503 0.1973747), wk = 0.0036900 k( 270) = ( 0.3333333 0.5773503 0.2114729), wk = 0.0036900 k( 271) = ( 0.3333333 0.5773503 0.2255711), wk = 0.0036900 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 2) = ( 0.0128205 0.0000000 -0.0000000), wk = 0.0036900 k( 3) = ( 0.0256410 0.0000000 0.0000000), wk = 0.0036900 k( 4) = ( 0.0384615 0.0000000 0.0000000), wk = 0.0036900 k( 5) = ( 0.0512821 0.0000000 0.0000000), wk = 0.0036900 k( 6) = ( 0.0641026 0.0000000 -0.0000000), wk = 0.0036900 k( 7) = ( 0.0769231 0.0000000 0.0000000), wk = 0.0036900 k( 8) = ( 0.0897436 -0.0000000 0.0000000), wk = 0.0036900 k( 9) = ( 0.1025641 0.0000000 0.0000000), wk = 0.0036900 k( 10) = ( 0.1153846 -0.0000000 -0.0000000), wk = 0.0036900 k( 11) = ( 0.1282051 0.0000000 -0.0000000), wk = 0.0036900 k( 12) = ( 0.1410256 0.0000000 -0.0000000), wk = 0.0036900 k( 13) = ( 0.1538461 -0.0000000 -0.0000000), wk = 0.0036900 k( 14) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0036900 k( 15) = ( 0.1794872 -0.0000000 0.0000000), wk = 0.0036900 k( 16) = ( 0.1923077 0.0000000 -0.0000000), wk = 0.0036900 k( 17) = ( 0.2051282 0.0000000 -0.0000000), wk = 0.0036900 k( 18) = ( 0.2179487 0.0000000 -0.0000000), wk = 0.0036900 k( 19) = ( 0.2307692 0.0000000 -0.0000000), wk = 0.0036900 k( 20) = ( 0.2435897 -0.0000000 -0.0000000), wk = 0.0036900 k( 21) = ( 0.2564103 0.0000000 -0.0000000), wk = 0.0036900 k( 22) = ( 0.2692308 0.0000000 -0.0000000), wk = 0.0036900 k( 23) = ( 0.2820513 0.0000000 -0.0000000), wk = 0.0036900 k( 24) = ( 0.2948718 -0.0000000 -0.0000000), wk = 0.0036900 k( 25) = ( 0.3076923 -0.0000000 -0.0000000), wk = 0.0036900 k( 26) = ( 0.3205128 -0.0000000 -0.0000000), wk = 0.0036900 k( 27) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0036900 k( 28) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0036900 k( 29) = ( 0.3589744 -0.0000000 0.0000000), wk = 0.0036900 k( 30) = ( 0.3717949 -0.0000000 -0.0000000), wk = 0.0036900 k( 31) = ( 0.3846154 0.0000000 -0.0000000), wk = 0.0036900 k( 32) = ( 0.3974359 0.0000000 -0.0000000), wk = 0.0036900 k( 33) = ( 0.4102564 0.0000000 -0.0000000), wk = 0.0036900 k( 34) = ( 0.4230769 0.0000000 -0.0000000), wk = 0.0036900 k( 35) = ( 0.4358974 0.0000000 -0.0000000), wk = 0.0036900 k( 36) = ( 0.4487179 0.0000000 -0.0000000), wk = 0.0036900 k( 37) = ( 0.4615385 0.0000000 -0.0000000), wk = 0.0036900 k( 38) = ( 0.4743590 -0.0000000 -0.0000000), wk = 0.0036900 k( 39) = ( 0.4871795 -0.0000000 -0.0000000), wk = 0.0036900 k( 40) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036900 k( 41) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036900 k( 42) = ( 0.4927536 0.0144927 -0.0000000), wk = 0.0036900 k( 43) = ( 0.4855073 0.0289855 -0.0000000), wk = 0.0036900 k( 44) = ( 0.4782609 0.0434783 -0.0000000), wk = 0.0036900 k( 45) = ( 0.4710145 0.0579710 -0.0000000), wk = 0.0036900 k( 46) = ( 0.4637681 0.0724638 -0.0000000), wk = 0.0036900 k( 47) = ( 0.4565217 0.0869565 -0.0000000), wk = 0.0036900 k( 48) = ( 0.4492754 0.1014493 -0.0000000), wk = 0.0036900 k( 49) = ( 0.4420290 0.1159420 0.0000000), wk = 0.0036900 k( 50) = ( 0.4347826 0.1304348 -0.0000000), wk = 0.0036900 k( 51) = ( 0.4275362 0.1449275 -0.0000000), wk = 0.0036900 k( 52) = ( 0.4202899 0.1594203 -0.0000000), wk = 0.0036900 k( 53) = ( 0.4130435 0.1739130 0.0000000), wk = 0.0036900 k( 54) = ( 0.4057971 0.1884058 0.0000000), wk = 0.0036900 k( 55) = ( 0.3985507 0.2028985 -0.0000000), wk = 0.0036900 k( 56) = ( 0.3913044 0.2173913 -0.0000000), wk = 0.0036900 k( 57) = ( 0.3840580 0.2318841 -0.0000000), wk = 0.0036900 k( 58) = ( 0.3768116 0.2463768 0.0000000), wk = 0.0036900 k( 59) = ( 0.3695652 0.2608696 0.0000000), wk = 0.0036900 k( 60) = ( 0.3623188 0.2753623 -0.0000000), wk = 0.0036900 k( 61) = ( 0.3550725 0.2898551 0.0000000), wk = 0.0036900 k( 62) = ( 0.3478261 0.3043478 -0.0000000), wk = 0.0036900 k( 63) = ( 0.3405797 0.3188406 -0.0000000), wk = 0.0036900 k( 64) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0036900 k( 65) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0036900 k( 66) = ( 0.3259259 0.3259259 -0.0000000), wk = 0.0036900 k( 67) = ( 0.3185185 0.3185185 0.0000000), wk = 0.0036900 k( 68) = ( 0.3111111 0.3111111 -0.0000000), wk = 0.0036900 k( 69) = ( 0.3037037 0.3037037 -0.0000000), wk = 0.0036900 k( 70) = ( 0.2962963 0.2962963 -0.0000000), wk = 0.0036900 k( 71) = ( 0.2888889 0.2888889 -0.0000000), wk = 0.0036900 k( 72) = ( 0.2814815 0.2814815 0.0000000), wk = 0.0036900 k( 73) = ( 0.2740741 0.2740741 -0.0000000), wk = 0.0036900 k( 74) = ( 0.2666667 0.2666667 -0.0000000), wk = 0.0036900 k( 75) = ( 0.2592593 0.2592593 -0.0000000), wk = 0.0036900 k( 76) = ( 0.2518518 0.2518518 0.0000000), wk = 0.0036900 k( 77) = ( 0.2444444 0.2444444 0.0000000), wk = 0.0036900 k( 78) = ( 0.2370370 0.2370370 -0.0000000), wk = 0.0036900 k( 79) = ( 0.2296296 0.2296296 -0.0000000), wk = 0.0036900 k( 80) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0036900 k( 81) = ( 0.2148148 0.2148148 -0.0000000), wk = 0.0036900 k( 82) = ( 0.2074074 0.2074074 -0.0000000), wk = 0.0036900 k( 83) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0036900 k( 84) = ( 0.1925926 0.1925926 -0.0000000), wk = 0.0036900 k( 85) = ( 0.1851852 0.1851852 -0.0000000), wk = 0.0036900 k( 86) = ( 0.1777778 0.1777778 -0.0000000), wk = 0.0036900 k( 87) = ( 0.1703704 0.1703704 -0.0000000), wk = 0.0036900 k( 88) = ( 0.1629630 0.1629630 -0.0000000), wk = 0.0036900 k( 89) = ( 0.1555556 0.1555556 -0.0000000), wk = 0.0036900 k( 90) = ( 0.1481482 0.1481482 -0.0000000), wk = 0.0036900 k( 91) = ( 0.1407407 0.1407407 0.0000000), wk = 0.0036900 k( 92) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0036900 k( 93) = ( 0.1259259 0.1259259 -0.0000000), wk = 0.0036900 k( 94) = ( 0.1185185 0.1185185 -0.0000000), wk = 0.0036900 k( 95) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0036900 k( 96) = ( 0.1037037 0.1037037 -0.0000000), wk = 0.0036900 k( 97) = ( 0.0962963 0.0962963 -0.0000000), wk = 0.0036900 k( 98) = ( 0.0888889 0.0888889 -0.0000000), wk = 0.0036900 k( 99) = ( 0.0814815 0.0814815 -0.0000000), wk = 0.0036900 k( 100) = ( 0.0740741 0.0740741 -0.0000000), wk = 0.0036900 k( 101) = ( 0.0666667 0.0666667 0.0000000), wk = 0.0036900 k( 102) = ( 0.0592593 0.0592593 -0.0000000), wk = 0.0036900 k( 103) = ( 0.0518518 0.0518518 -0.0000000), wk = 0.0036900 k( 104) = ( 0.0444444 0.0444444 -0.0000000), wk = 0.0036900 k( 105) = ( 0.0370370 0.0370370 -0.0000000), wk = 0.0036900 k( 106) = ( 0.0296296 0.0296296 -0.0000000), wk = 0.0036900 k( 107) = ( 0.0222222 0.0222222 -0.0000000), wk = 0.0036900 k( 108) = ( 0.0148148 0.0148148 -0.0000000), wk = 0.0036900 k( 109) = ( 0.0074074 0.0074074 -0.0000000), wk = 0.0036900 k( 110) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 111) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0036900 k( 112) = ( 0.0000000 0.0000000 0.0312500), wk = 0.0036900 k( 113) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0036900 k( 114) = ( 0.0000000 0.0000000 0.0937500), wk = 0.0036900 k( 115) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0036900 k( 116) = ( 0.0000000 0.0000000 0.1562500), wk = 0.0036900 k( 117) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0036900 k( 118) = ( 0.0000000 0.0000000 0.2187500), wk = 0.0036900 k( 119) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0036900 k( 120) = ( 0.0000000 0.0000000 0.2812500), wk = 0.0036900 k( 121) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0036900 k( 122) = ( 0.0000000 0.0000000 0.3437500), wk = 0.0036900 k( 123) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0036900 k( 124) = ( 0.0000000 0.0000000 0.4062500), wk = 0.0036900 k( 125) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0036900 k( 126) = ( 0.0000000 0.0000000 0.4687500), wk = 0.0036900 k( 127) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036900 k( 128) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036900 k( 129) = ( 0.0128205 0.0000000 0.5000000), wk = 0.0036900 k( 130) = ( 0.0256410 0.0000000 0.5000000), wk = 0.0036900 k( 131) = ( 0.0384615 0.0000000 0.5000000), wk = 0.0036900 k( 132) = ( 0.0512821 0.0000000 0.5000000), wk = 0.0036900 k( 133) = ( 0.0641026 0.0000000 0.5000000), wk = 0.0036900 k( 134) = ( 0.0769231 0.0000000 0.5000000), wk = 0.0036900 k( 135) = ( 0.0897436 -0.0000000 0.5000000), wk = 0.0036900 k( 136) = ( 0.1025641 0.0000000 0.5000000), wk = 0.0036900 k( 137) = ( 0.1153846 -0.0000000 0.5000000), wk = 0.0036900 k( 138) = ( 0.1282051 0.0000000 0.5000000), wk = 0.0036900 k( 139) = ( 0.1410256 0.0000000 0.5000000), wk = 0.0036900 k( 140) = ( 0.1538461 -0.0000000 0.5000000), wk = 0.0036900 k( 141) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0036900 k( 142) = ( 0.1794872 -0.0000000 0.5000000), wk = 0.0036900 k( 143) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0036900 k( 144) = ( 0.2051282 0.0000000 0.5000000), wk = 0.0036900 k( 145) = ( 0.2179487 0.0000000 0.5000000), wk = 0.0036900 k( 146) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0036900 k( 147) = ( 0.2435897 -0.0000000 0.5000000), wk = 0.0036900 k( 148) = ( 0.2564103 0.0000000 0.5000000), wk = 0.0036900 k( 149) = ( 0.2692308 0.0000000 0.5000000), wk = 0.0036900 k( 150) = ( 0.2820513 0.0000000 0.5000000), wk = 0.0036900 k( 151) = ( 0.2948718 -0.0000000 0.5000000), wk = 0.0036900 k( 152) = ( 0.3076923 -0.0000000 0.5000000), wk = 0.0036900 k( 153) = ( 0.3205128 -0.0000000 0.5000000), wk = 0.0036900 k( 154) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0036900 k( 155) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0036900 k( 156) = ( 0.3589744 -0.0000000 0.5000000), wk = 0.0036900 k( 157) = ( 0.3717949 -0.0000000 0.5000000), wk = 0.0036900 k( 158) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0036900 k( 159) = ( 0.3974359 0.0000000 0.5000000), wk = 0.0036900 k( 160) = ( 0.4102564 0.0000000 0.5000000), wk = 0.0036900 k( 161) = ( 0.4230769 0.0000000 0.5000000), wk = 0.0036900 k( 162) = ( 0.4358974 0.0000000 0.5000000), wk = 0.0036900 k( 163) = ( 0.4487179 0.0000000 0.5000000), wk = 0.0036900 k( 164) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0036900 k( 165) = ( 0.4743590 -0.0000000 0.5000000), wk = 0.0036900 k( 166) = ( 0.4871795 -0.0000000 0.5000000), wk = 0.0036900 k( 167) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036900 k( 168) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036900 k( 169) = ( 0.4927536 0.0144927 0.5000000), wk = 0.0036900 k( 170) = ( 0.4855073 0.0289855 0.5000000), wk = 0.0036900 k( 171) = ( 0.4782609 0.0434783 0.5000000), wk = 0.0036900 k( 172) = ( 0.4710145 0.0579710 0.5000000), wk = 0.0036900 k( 173) = ( 0.4637681 0.0724638 0.5000000), wk = 0.0036900 k( 174) = ( 0.4565217 0.0869565 0.5000000), wk = 0.0036900 k( 175) = ( 0.4492754 0.1014493 0.5000000), wk = 0.0036900 k( 176) = ( 0.4420290 0.1159420 0.5000000), wk = 0.0036900 k( 177) = ( 0.4347826 0.1304348 0.5000000), wk = 0.0036900 k( 178) = ( 0.4275362 0.1449275 0.5000000), wk = 0.0036900 k( 179) = ( 0.4202899 0.1594203 0.5000000), wk = 0.0036900 k( 180) = ( 0.4130435 0.1739130 0.5000000), wk = 0.0036900 k( 181) = ( 0.4057971 0.1884058 0.5000000), wk = 0.0036900 k( 182) = ( 0.3985507 0.2028985 0.5000000), wk = 0.0036900 k( 183) = ( 0.3913044 0.2173913 0.5000000), wk = 0.0036900 k( 184) = ( 0.3840580 0.2318841 0.5000000), wk = 0.0036900 k( 185) = ( 0.3768116 0.2463768 0.5000000), wk = 0.0036900 k( 186) = ( 0.3695652 0.2608696 0.5000000), wk = 0.0036900 k( 187) = ( 0.3623188 0.2753623 0.5000000), wk = 0.0036900 k( 188) = ( 0.3550725 0.2898551 0.5000000), wk = 0.0036900 k( 189) = ( 0.3478261 0.3043478 0.5000000), wk = 0.0036900 k( 190) = ( 0.3405797 0.3188406 0.5000000), wk = 0.0036900 k( 191) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036900 k( 192) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036900 k( 193) = ( 0.3259259 0.3259259 0.5000000), wk = 0.0036900 k( 194) = ( 0.3185185 0.3185185 0.5000000), wk = 0.0036900 k( 195) = ( 0.3111111 0.3111111 0.5000000), wk = 0.0036900 k( 196) = ( 0.3037037 0.3037037 0.5000000), wk = 0.0036900 k( 197) = ( 0.2962963 0.2962963 0.5000000), wk = 0.0036900 k( 198) = ( 0.2888889 0.2888889 0.5000000), wk = 0.0036900 k( 199) = ( 0.2814815 0.2814815 0.5000000), wk = 0.0036900 k( 200) = ( 0.2740741 0.2740741 0.5000000), wk = 0.0036900 k( 201) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0036900 k( 202) = ( 0.2592593 0.2592593 0.5000000), wk = 0.0036900 k( 203) = ( 0.2518518 0.2518518 0.5000000), wk = 0.0036900 k( 204) = ( 0.2444444 0.2444444 0.5000000), wk = 0.0036900 k( 205) = ( 0.2370370 0.2370370 0.5000000), wk = 0.0036900 k( 206) = ( 0.2296296 0.2296296 0.5000000), wk = 0.0036900 k( 207) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0036900 k( 208) = ( 0.2148148 0.2148148 0.5000000), wk = 0.0036900 k( 209) = ( 0.2074074 0.2074074 0.5000000), wk = 0.0036900 k( 210) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0036900 k( 211) = ( 0.1925926 0.1925926 0.5000000), wk = 0.0036900 k( 212) = ( 0.1851852 0.1851852 0.5000000), wk = 0.0036900 k( 213) = ( 0.1777778 0.1777778 0.5000000), wk = 0.0036900 k( 214) = ( 0.1703704 0.1703704 0.5000000), wk = 0.0036900 k( 215) = ( 0.1629630 0.1629630 0.5000000), wk = 0.0036900 k( 216) = ( 0.1555556 0.1555556 0.5000000), wk = 0.0036900 k( 217) = ( 0.1481482 0.1481482 0.5000000), wk = 0.0036900 k( 218) = ( 0.1407407 0.1407407 0.5000000), wk = 0.0036900 k( 219) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0036900 k( 220) = ( 0.1259259 0.1259259 0.5000000), wk = 0.0036900 k( 221) = ( 0.1185185 0.1185185 0.5000000), wk = 0.0036900 k( 222) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0036900 k( 223) = ( 0.1037037 0.1037037 0.5000000), wk = 0.0036900 k( 224) = ( 0.0962963 0.0962963 0.5000000), wk = 0.0036900 k( 225) = ( 0.0888889 0.0888889 0.5000000), wk = 0.0036900 k( 226) = ( 0.0814815 0.0814815 0.5000000), wk = 0.0036900 k( 227) = ( 0.0740741 0.0740741 0.5000000), wk = 0.0036900 k( 228) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0036900 k( 229) = ( 0.0592593 0.0592593 0.5000000), wk = 0.0036900 k( 230) = ( 0.0518518 0.0518518 0.5000000), wk = 0.0036900 k( 231) = ( 0.0444444 0.0444444 0.5000000), wk = 0.0036900 k( 232) = ( 0.0370370 0.0370370 0.5000000), wk = 0.0036900 k( 233) = ( 0.0296296 0.0296296 0.5000000), wk = 0.0036900 k( 234) = ( 0.0222222 0.0222222 0.5000000), wk = 0.0036900 k( 235) = ( 0.0148148 0.0148148 0.5000000), wk = 0.0036900 k( 236) = ( 0.0074074 0.0074074 0.5000000), wk = 0.0036900 k( 237) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0036900 k( 238) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0036900 k( 239) = ( 0.5000000 0.0000000 0.4687500), wk = 0.0036900 k( 240) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0036900 k( 241) = ( 0.5000000 0.0000000 0.4062500), wk = 0.0036900 k( 242) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0036900 k( 243) = ( 0.5000000 0.0000000 0.3437500), wk = 0.0036900 k( 244) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0036900 k( 245) = ( 0.5000000 0.0000000 0.2812500), wk = 0.0036900 k( 246) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0036900 k( 247) = ( 0.5000000 0.0000000 0.2187500), wk = 0.0036900 k( 248) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0036900 k( 249) = ( 0.5000000 0.0000000 0.1562500), wk = 0.0036900 k( 250) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0036900 k( 251) = ( 0.5000000 0.0000000 0.0937500), wk = 0.0036900 k( 252) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0036900 k( 253) = ( 0.5000000 0.0000000 0.0312500), wk = 0.0036900 k( 254) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0036900 k( 255) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0036900 k( 256) = ( 0.3333333 0.3333333 0.0312500), wk = 0.0036900 k( 257) = ( 0.3333333 0.3333333 0.0625000), wk = 0.0036900 k( 258) = ( 0.3333333 0.3333333 0.0937500), wk = 0.0036900 k( 259) = ( 0.3333333 0.3333333 0.1250000), wk = 0.0036900 k( 260) = ( 0.3333333 0.3333333 0.1562500), wk = 0.0036900 k( 261) = ( 0.3333333 0.3333333 0.1875000), wk = 0.0036900 k( 262) = ( 0.3333333 0.3333333 0.2187500), wk = 0.0036900 k( 263) = ( 0.3333333 0.3333333 0.2500000), wk = 0.0036900 k( 264) = ( 0.3333333 0.3333333 0.2812500), wk = 0.0036900 k( 265) = ( 0.3333333 0.3333333 0.3125000), wk = 0.0036900 k( 266) = ( 0.3333333 0.3333333 0.3437500), wk = 0.0036900 k( 267) = ( 0.3333333 0.3333333 0.3750000), wk = 0.0036900 k( 268) = ( 0.3333333 0.3333333 0.4062500), wk = 0.0036900 k( 269) = ( 0.3333333 0.3333333 0.4375000), wk = 0.0036900 k( 270) = ( 0.3333333 0.3333333 0.4687500), wk = 0.0036900 k( 271) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0036900 Dense grid: 195783 G-vectors FFT dimensions: ( 60, 60, 135) Smooth grid: 48873 G-vectors FFT dimensions: ( 40, 40, 81) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.35 Mb ( 370, 62) NL pseudopotentials 0.58 Mb ( 185, 204) Each V/rho on FFT grid 0.22 Mb ( 14400) Each G-vector array 0.04 Mb ( 5439) G-vector shells 0.02 Mb ( 2560) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.40 Mb ( 370, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.39 Mb ( 204, 2, 62) The potential is recalculated from file : ./RbTeAu.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 5.5 secs Computing kpt #: 3 total cpu time spent up to now is 6.7 secs Computing kpt #: 4 total cpu time spent up to now is 7.8 secs Computing kpt #: 5 total cpu time spent up to now is 9.0 secs Computing kpt #: 6 total cpu time spent up to now is 10.3 secs Computing kpt #: 7 total cpu time spent up to now is 11.7 secs Computing kpt #: 8 total cpu time spent up to now is 13.2 secs Computing kpt #: 9 total cpu time spent up to now is 15.0 secs Computing kpt #: 10 total cpu time spent up to now is 16.0 secs Computing kpt #: 11 total cpu time spent up to now is 16.9 secs Computing kpt #: 12 total cpu time spent up to now is 17.9 secs Computing kpt #: 13 total cpu time spent up to now is 18.8 secs Computing kpt #: 14 total cpu time spent up to now is 19.8 secs Computing kpt #: 15 total cpu time spent up to now is 20.7 secs Computing kpt #: 16 total cpu time spent up to now is 21.7 secs Computing kpt #: 17 total cpu time spent up to now is 22.6 secs Computing kpt #: 18 total cpu time spent up to now is 23.6 secs Computing kpt #: 19 total cpu time spent up to now is 24.5 secs Computing kpt #: 20 total cpu time spent up to now is 25.4 secs Computing kpt #: 21 total cpu time spent up to now is 26.4 secs Computing kpt #: 22 total cpu time spent up to now is 27.3 secs Computing kpt #: 23 total cpu time spent up to now is 28.2 secs Computing kpt #: 24 total cpu time spent up to now is 29.2 secs Computing kpt #: 25 total cpu time spent up to now is 30.1 secs Computing kpt #: 26 total cpu time spent up to now is 31.0 secs Computing kpt #: 27 total cpu time spent up to now is 31.9 secs Computing kpt #: 28 total cpu time spent up to now is 32.9 secs Computing kpt #: 29 total cpu time spent up to now is 33.8 secs Computing kpt #: 30 total cpu time spent up to now is 34.7 secs Computing kpt #: 31 total cpu time spent up to now is 37.6 secs Computing kpt #: 32 total cpu time spent up to now is 38.5 secs Computing kpt #: 33 total cpu time spent up to now is 39.4 secs Computing kpt #: 34 total cpu time spent up to now is 40.3 secs Computing kpt #: 35 total cpu time spent up to now is 41.2 secs Computing kpt #: 36 total cpu time spent up to now is 42.1 secs Computing kpt #: 37 total cpu time spent up to now is 42.9 secs Computing kpt #: 38 total cpu time spent up to now is 43.7 secs Computing kpt #: 39 total cpu time spent up to now is 44.4 secs Computing kpt #: 40 total cpu time spent up to now is 45.2 secs Computing kpt #: 41 total cpu time spent up to now is 46.0 secs Computing kpt #: 42 total cpu time spent up to now is 46.8 secs Computing kpt #: 43 total cpu time spent up to now is 47.6 secs Computing kpt #: 44 total cpu time spent up to now is 48.4 secs Computing kpt #: 45 total cpu time spent up to now is 49.2 secs Computing kpt #: 46 total cpu time spent up to now is 50.1 secs Computing kpt #: 47 total cpu time spent up to now is 50.9 secs Computing kpt #: 48 total cpu time spent up to now is 51.8 secs Computing kpt #: 49 total cpu time spent up to now is 52.7 secs Computing kpt #: 50 total cpu time spent up to now is 53.6 secs Computing kpt #: 51 total cpu time spent up to now is 54.5 secs Computing kpt #: 52 total cpu time spent up to now is 55.4 secs Computing kpt #: 53 total cpu time spent up to now is 56.3 secs Computing kpt #: 54 total cpu time spent up to now is 57.2 secs Computing kpt #: 55 total cpu time spent up to now is 58.1 secs Computing kpt #: 56 total cpu time spent up to now is 59.0 secs Computing kpt #: 57 total cpu time spent up to now is 60.0 secs Computing kpt #: 58 total cpu time spent up to now is 61.2 secs Computing kpt #: 59 total cpu time spent up to now is 63.0 secs Computing kpt #: 60 total cpu time spent up to now is 64.9 secs Computing kpt #: 61 total cpu time spent up to now is 66.5 secs Computing kpt #: 62 total cpu time spent up to now is 67.8 secs Computing kpt #: 63 total cpu time spent up to now is 69.3 secs Computing kpt #: 64 total cpu time spent up to now is 70.7 secs Computing kpt #: 65 total cpu time spent up to now is 71.9 secs Computing kpt #: 66 total cpu time spent up to now is 73.4 secs Computing kpt #: 67 total cpu time spent up to now is 74.8 secs Computing kpt #: 68 total cpu time spent up to now is 76.4 secs Computing kpt #: 69 total cpu time spent up to now is 78.2 secs Computing kpt #: 70 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 80.5 secs Computing kpt #: 71 total cpu time spent up to now is 81.8 secs Computing kpt #: 72 total cpu time spent up to now is 82.9 secs Computing kpt #: 73 total cpu time spent up to now is 84.1 secs Computing kpt #: 74 total cpu time spent up to now is 85.2 secs Computing kpt #: 75 total cpu time spent up to now is 86.3 secs Computing kpt #: 76 total cpu time spent up to now is 87.4 secs Computing kpt #: 77 total cpu time spent up to now is 88.4 secs Computing kpt #: 78 total cpu time spent up to now is 89.5 secs Computing kpt #: 79 total cpu time spent up to now is 90.5 secs Computing kpt #: 80 total cpu time spent up to now is 91.5 secs Computing kpt #: 81 total cpu time spent up to now is 92.5 secs Computing kpt #: 82 total cpu time spent up to now is 93.5 secs Computing kpt #: 83 total cpu time spent up to now is 94.5 secs Computing kpt #: 84 total cpu time spent up to now is 95.5 secs Computing kpt #: 85 total cpu time spent up to now is 96.5 secs Computing kpt #: 86 total cpu time spent up to now is 97.5 secs Computing kpt #: 87 total cpu time spent up to now is 98.5 secs Computing kpt #: 88 total cpu time spent up to now is 99.5 secs Computing kpt #: 89 total cpu time spent up to now is 100.5 secs Computing kpt #: 90 total cpu time spent up to now is 101.5 secs Computing kpt #: 91 total cpu time spent up to now is 102.4 secs Computing kpt #: 92 total cpu time spent up to now is 103.4 secs Computing kpt #: 93 total cpu time spent up to now is 104.4 secs Computing kpt #: 94 total cpu time spent up to now is 105.3 secs Computing kpt #: 95 total cpu time spent up to now is 106.3 secs Computing kpt #: 96 total cpu time spent up to now is 107.2 secs Computing kpt #: 97 total cpu time spent up to now is 108.2 secs Computing kpt #: 98 total cpu time spent up to now is 109.1 secs Computing kpt #: 99 total cpu time spent up to now is 110.1 secs Computing kpt #: 100 total cpu time spent up to now is 111.1 secs Computing kpt #: 101 total cpu time spent up to now is 112.1 secs Computing kpt #: 102 total cpu time spent up to now is 113.6 secs Computing kpt #: 103 total cpu time spent up to now is 114.9 secs Computing kpt #: 104 total cpu time spent up to now is 116.4 secs Computing kpt #: 105 total cpu time spent up to now is 117.7 secs Computing kpt #: 106 total cpu time spent up to now is 119.0 secs Computing kpt #: 107 total cpu time spent up to now is 120.1 secs Computing kpt #: 108 total cpu time spent up to now is 121.2 secs Computing kpt #: 109 total cpu time spent up to now is 122.5 secs Computing kpt #: 110 total cpu time spent up to now is 123.7 secs Computing kpt #: 111 total cpu time spent up to now is 124.8 secs Computing kpt #: 112 total cpu time spent up to now is 125.9 secs Computing kpt #: 113 total cpu time spent up to now is 127.0 secs Computing kpt #: 114 total cpu time spent up to now is 128.1 secs Computing kpt #: 115 total cpu time spent up to now is 129.3 secs Computing kpt #: 116 total cpu time spent up to now is 130.6 secs Computing kpt #: 117 total cpu time spent up to now is 131.8 secs Computing kpt #: 118 total cpu time spent up to now is 133.0 secs Computing kpt #: 119 total cpu time spent up to now is 134.2 secs Computing kpt #: 120 total cpu time spent up to now is 135.4 secs Computing kpt #: 121 total cpu time spent up to now is 136.7 secs Computing kpt #: 122 total cpu time spent up to now is 137.9 secs Computing kpt #: 123 total cpu time spent up to now is 139.2 secs Computing kpt #: 124 total cpu time spent up to now is 140.5 secs Computing kpt #: 125 total cpu time spent up to now is 141.7 secs Computing kpt #: 126 total cpu time spent up to now is 143.2 secs Computing kpt #: 127 total cpu time spent up to now is 144.2 secs Computing kpt #: 128 total cpu time spent up to now is 145.1 secs Computing kpt #: 129 total cpu time spent up to now is 146.1 secs Computing kpt #: 130 total cpu time spent up to now is 147.1 secs Computing kpt #: 131 total cpu time spent up to now is 148.1 secs Computing kpt #: 132 total cpu time spent up to now is 149.0 secs Computing kpt #: 133 total cpu time spent up to now is 150.1 secs Computing kpt #: 134 total cpu time spent up to now is 151.1 secs Computing kpt #: 135 total cpu time spent up to now is 152.1 secs Computing kpt #: 136 total cpu time spent up to now is 153.1 secs Computing kpt #: 137 total cpu time spent up to now is 154.1 secs Computing kpt #: 138 total cpu time spent up to now is 155.1 secs Computing kpt #: 139 total cpu time spent up to now is 156.2 secs Computing kpt #: 140 total cpu time spent up to now is 157.2 secs Computing kpt #: 141 total cpu time spent up to now is 158.2 secs Computing kpt #: 142 total cpu time spent up to now is 159.2 secs Computing kpt #: 143 total cpu time spent up to now is 160.2 secs Computing kpt #: 144 total cpu time spent up to now is 161.2 secs Computing kpt #: 145 total cpu time spent up to now is 162.2 secs Computing kpt #: 146 total cpu time spent up to now is 163.2 secs Computing kpt #: 147 total cpu time spent up to now is 164.2 secs Computing kpt #: 148 total cpu time spent up to now is 165.2 secs Computing kpt #: 149 total cpu time spent up to now is 166.2 secs Computing kpt #: 150 total cpu time spent up to now is 167.2 secs Computing kpt #: 151 total cpu time spent up to now is 168.2 secs Computing kpt #: 152 total cpu time spent up to now is 169.2 secs Computing kpt #: 153 total cpu time spent up to now is 170.2 secs Computing kpt #: 154 total cpu time spent up to now is 171.2 secs Computing kpt #: 155 total cpu time spent up to now is 172.2 secs Computing kpt #: 156 total cpu time spent up to now is 173.2 secs Computing kpt #: 157 total cpu time spent up to now is 174.2 secs Computing kpt #: 158 total cpu time spent up to now is 175.2 secs Computing kpt #: 159 total cpu time spent up to now is 176.2 secs Computing kpt #: 160 total cpu time spent up to now is 177.2 secs Computing kpt #: 161 total cpu time spent up to now is 178.2 secs Computing kpt #: 162 total cpu time spent up to now is 179.2 secs Computing kpt #: 163 total cpu time spent up to now is 180.2 secs Computing kpt #: 164 total cpu time spent up to now is 181.3 secs Computing kpt #: 165 total cpu time spent up to now is 182.3 secs Computing kpt #: 166 total cpu time spent up to now is 183.3 secs Computing kpt #: 167 total cpu time spent up to now is 184.4 secs Computing kpt #: 168 total cpu time spent up to now is 185.4 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 188.0 secs Computing kpt #: 170 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 190.3 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 192.6 secs Computing kpt #: 172 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 194.8 secs Computing kpt #: 173 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 197.0 secs Computing kpt #: 174 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 199.1 secs Computing kpt #: 175 total cpu time spent up to now is 201.2 secs Computing kpt #: 176 total cpu time spent up to now is 203.0 secs Computing kpt #: 177 total cpu time spent up to now is 204.6 secs Computing kpt #: 178 total cpu time spent up to now is 206.3 secs Computing kpt #: 179 total cpu time spent up to now is 208.1 secs Computing kpt #: 180 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 210.3 secs Computing kpt #: 181 total cpu time spent up to now is 211.4 secs Computing kpt #: 182 total cpu time spent up to now is 213.0 secs Computing kpt #: 183 total cpu time spent up to now is 214.8 secs Computing kpt #: 184 total cpu time spent up to now is 216.6 secs Computing kpt #: 185 total cpu time spent up to now is 218.1 secs Computing kpt #: 186 total cpu time spent up to now is 219.2 secs Computing kpt #: 187 total cpu time spent up to now is 220.2 secs Computing kpt #: 188 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 222.4 secs Computing kpt #: 189 total cpu time spent up to now is 223.6 secs Computing kpt #: 190 total cpu time spent up to now is 224.8 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 227.0 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 229.1 secs Computing kpt #: 193 total cpu time spent up to now is 230.2 secs Computing kpt #: 194 total cpu time spent up to now is 231.3 secs Computing kpt #: 195 total cpu time spent up to now is 233.4 secs Computing kpt #: 196 total cpu time spent up to now is 234.9 secs Computing kpt #: 197 total cpu time spent up to now is 236.2 secs Computing kpt #: 198 total cpu time spent up to now is 237.5 secs Computing kpt #: 199 total cpu time spent up to now is 238.8 secs Computing kpt #: 200 total cpu time spent up to now is 240.0 secs Computing kpt #: 201 total cpu time spent up to now is 241.2 secs Computing kpt #: 202 total cpu time spent up to now is 242.3 secs Computing kpt #: 203 total cpu time spent up to now is 243.4 secs Computing kpt #: 204 total cpu time spent up to now is 244.4 secs Computing kpt #: 205 total cpu time spent up to now is 245.5 secs Computing kpt #: 206 total cpu time spent up to now is 246.5 secs Computing kpt #: 207 total cpu time spent up to now is 247.6 secs Computing kpt #: 208 total cpu time spent up to now is 248.6 secs Computing kpt #: 209 total cpu time spent up to now is 249.6 secs Computing kpt #: 210 total cpu time spent up to now is 250.7 secs Computing kpt #: 211 total cpu time spent up to now is 251.8 secs Computing kpt #: 212 total cpu time spent up to now is 252.8 secs Computing kpt #: 213 total cpu time spent up to now is 253.9 secs Computing kpt #: 214 total cpu time spent up to now is 255.0 secs Computing kpt #: 215 total cpu time spent up to now is 256.1 secs Computing kpt #: 216 total cpu time spent up to now is 257.1 secs Computing kpt #: 217 total cpu time spent up to now is 258.1 secs Computing kpt #: 218 total cpu time spent up to now is 259.1 secs Computing kpt #: 219 total cpu time spent up to now is 260.2 secs Computing kpt #: 220 total cpu time spent up to now is 261.2 secs Computing kpt #: 221 total cpu time spent up to now is 262.3 secs Computing kpt #: 222 total cpu time spent up to now is 263.3 secs Computing kpt #: 223 total cpu time spent up to now is 264.4 secs Computing kpt #: 224 total cpu time spent up to now is 265.5 secs Computing kpt #: 225 total cpu time spent up to now is 266.5 secs Computing kpt #: 226 total cpu time spent up to now is 267.7 secs Computing kpt #: 227 total cpu time spent up to now is 268.7 secs Computing kpt #: 228 total cpu time spent up to now is 269.9 secs Computing kpt #: 229 total cpu time spent up to now is 271.2 secs Computing kpt #: 230 total cpu time spent up to now is 272.7 secs Computing kpt #: 231 total cpu time spent up to now is 274.3 secs Computing kpt #: 232 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 276.6 secs Computing kpt #: 233 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 278.9 secs Computing kpt #: 234 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 281.0 secs Computing kpt #: 235 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 283.2 secs Computing kpt #: 236 total cpu time spent up to now is 284.2 secs Computing kpt #: 237 total cpu time spent up to now is 285.1 secs Computing kpt #: 238 total cpu time spent up to now is 286.1 secs Computing kpt #: 239 total cpu time spent up to now is 287.6 secs Computing kpt #: 240 total cpu time spent up to now is 288.8 secs Computing kpt #: 241 total cpu time spent up to now is 290.0 secs Computing kpt #: 242 total cpu time spent up to now is 291.2 secs Computing kpt #: 243 total cpu time spent up to now is 292.2 secs Computing kpt #: 244 total cpu time spent up to now is 293.3 secs Computing kpt #: 245 total cpu time spent up to now is 294.3 secs Computing kpt #: 246 total cpu time spent up to now is 295.2 secs Computing kpt #: 247 total cpu time spent up to now is 296.1 secs Computing kpt #: 248 total cpu time spent up to now is 297.0 secs Computing kpt #: 249 total cpu time spent up to now is 297.9 secs Computing kpt #: 250 total cpu time spent up to now is 298.8 secs Computing kpt #: 251 total cpu time spent up to now is 299.7 secs Computing kpt #: 252 total cpu time spent up to now is 300.5 secs Computing kpt #: 253 total cpu time spent up to now is 301.3 secs Computing kpt #: 254 total cpu time spent up to now is 302.1 secs Computing kpt #: 255 total cpu time spent up to now is 303.3 secs Computing kpt #: 256 total cpu time spent up to now is 304.6 secs Computing kpt #: 257 total cpu time spent up to now is 305.9 secs Computing kpt #: 258 total cpu time spent up to now is 307.0 secs Computing kpt #: 259 total cpu time spent up to now is 308.1 secs Computing kpt #: 260 total cpu time spent up to now is 309.1 secs Computing kpt #: 261 total cpu time spent up to now is 310.1 secs Computing kpt #: 262 total cpu time spent up to now is 311.3 secs Computing kpt #: 263 total cpu time spent up to now is 312.5 secs Computing kpt #: 264 total cpu time spent up to now is 313.7 secs Computing kpt #: 265 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 315.9 secs Computing kpt #: 266 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 318.2 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 320.5 secs Computing kpt #: 268 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 322.7 secs Computing kpt #: 269 total cpu time spent up to now is 323.8 secs Computing kpt #: 270 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 326.0 secs Computing kpt #: 271 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 328.2 secs ethr = 1.92E-08, avg # of iterations = 43.5 total cpu time spent up to now is 328.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6095 PWs) bands (ev): -20.3524 -20.3524 -20.3507 -20.3507 -5.5090 -5.5090 -5.0582 -5.0582 -4.9495 -4.9495 -4.7894 -4.7894 -4.2085 -4.2085 -4.1626 -4.1626 -4.1531 -4.1531 -3.7799 -3.7799 0.9372 0.9372 0.9759 0.9759 1.6196 1.6196 1.6707 1.6707 2.0507 2.0507 2.1269 2.1269 3.2791 3.2791 3.3383 3.3383 3.4882 3.4882 3.5502 3.5502 3.6779 3.6779 4.7024 4.7024 6.4442 6.4442 6.6915 6.6915 6.8455 6.8455 7.0117 7.0117 7.0196 7.0196 7.2062 7.2062 9.2841 9.2841 10.4926 10.4926 10.5664 10.5664 k = 0.0128 0.0074-0.0000 ( 6099 PWs) bands (ev): -20.3524 -20.3524 -20.3506 -20.3506 -5.5083 -5.5083 -5.0593 -5.0593 -4.9481 -4.9481 -4.7895 -4.7895 -4.2084 -4.2084 -4.1625 -4.1625 -4.1533 -4.1533 -3.7803 -3.7803 0.9377 0.9377 0.9761 0.9761 1.6197 1.6197 1.6705 1.6705 2.0507 2.0507 2.1266 2.1266 3.2784 3.2784 3.3335 3.3335 3.4881 3.4881 3.5543 3.5543 3.6805 3.6805 4.7038 4.7038 6.4221 6.4221 6.6285 6.6285 6.8734 6.8734 7.0149 7.0149 7.0533 7.0533 7.2150 7.2150 9.2860 9.2860 10.4970 10.4970 10.5661 10.5661 k = 0.0256 0.0148-0.0000 ( 6103 PWs) bands (ev): -20.3523 -20.3523 -20.3506 -20.3506 -5.5062 -5.5062 -5.0625 -5.0625 -4.9440 -4.9440 -4.7896 -4.7896 -4.2081 -4.2081 -4.1621 -4.1621 -4.1540 -4.1540 -3.7814 -3.7814 0.9390 0.9390 0.9766 0.9766 1.6202 1.6202 1.6700 1.6700 2.0508 2.0508 2.1256 2.1256 3.2765 3.2765 3.3204 3.3204 3.4879 3.4879 3.5645 3.5645 3.6891 3.6891 4.7079 4.7079 6.3623 6.3623 6.5134 6.5134 6.8884 6.8884 7.0235 7.0235 7.1394 7.1394 7.2455 7.2455 9.2915 9.2915 10.5099 10.5099 10.5656 10.5656 k = 0.0385 0.0222-0.0000 ( 6111 PWs) bands (ev): -20.3523 -20.3523 -20.3505 -20.3505 -5.5027 -5.5027 -5.0672 -5.0672 -4.9377 -4.9377 -4.7897 -4.7897 -4.2077 -4.2077 -4.1615 -4.1615 -4.1550 -4.1550 -3.7832 -3.7832 0.9412 0.9412 0.9775 0.9775 1.6210 1.6210 1.6691 1.6691 2.0508 2.0508 2.1239 2.1239 3.2732 3.2732 3.3019 3.3019 3.4877 3.4877 3.5767 3.5767 3.7049 3.7049 4.7146 4.7146 6.2774 6.2774 6.3866 6.3866 6.8801 6.8801 7.0184 7.0184 7.2515 7.2515 7.3011 7.3011 9.3007 9.3007 10.5288 10.5288 10.5667 10.5667 k = 0.0513 0.0296-0.0000 ( 6107 PWs) bands (ev): -20.3522 -20.3522 -20.3504 -20.3504 -5.4978 -5.4978 -5.0732 -5.0732 -4.9296 -4.9296 -4.7899 -4.7899 -4.2071 -4.2071 -4.1606 -4.1606 -4.1565 -4.1565 -3.7857 -3.7857 0.9443 0.9443 0.9786 0.9786 1.6221 1.6221 1.6680 1.6680 2.0509 2.0509 2.1216 2.1216 3.2687 3.2687 3.2805 3.2805 3.4874 3.4874 3.5873 3.5873 3.7290 3.7290 4.7239 4.7239 6.1771 6.1771 6.2562 6.2562 6.8599 6.8599 6.9963 6.9963 7.3665 7.3665 7.3799 7.3799 9.3135 9.3135 10.5429 10.5429 10.5792 10.5792 k = 0.0641 0.0370-0.0000 ( 6097 PWs) bands (ev): -20.3520 -20.3520 -20.3503 -20.3503 -5.4915 -5.4915 -5.0799 -5.0799 -4.9201 -4.9201 -4.7901 -4.7901 -4.2064 -4.2064 -4.1594 -4.1594 -4.1583 -4.1583 -3.7890 -3.7890 0.9483 0.9483 0.9801 0.9801 1.6235 1.6235 1.6666 1.6666 2.0510 2.0510 2.1187 2.1187 3.2577 3.2577 3.2630 3.2630 3.4870 3.4870 3.5948 3.5948 3.7609 3.7609 4.7358 4.7358 6.0668 6.0668 6.1250 6.1250 6.8317 6.8317 6.9608 6.9608 7.4541 7.4541 7.4970 7.4970 9.3297 9.3297 10.5429 10.5429 10.6117 10.6117 k = 0.0769 0.0444-0.0000 ( 6095 PWs) bands (ev): -20.3519 -20.3519 -20.3502 -20.3502 -5.4839 -5.4839 -5.0870 -5.0870 -4.9097 -4.9097 -4.7904 -4.7904 -4.2056 -4.2056 -4.1606 -4.1606 -4.1578 -4.1578 -3.7929 -3.7929 0.9530 0.9530 0.9818 0.9818 1.6252 1.6252 1.6651 1.6651 2.0512 2.0512 2.1154 2.1154 3.2348 3.2348 3.2560 3.2560 3.4868 3.4868 3.5996 3.5996 3.7994 3.7994 4.7500 4.7500 5.9490 5.9490 5.9951 5.9951 6.7969 6.7969 6.9151 6.9151 7.5400 7.5400 7.6184 7.6184 9.3492 9.3492 10.5364 10.5364 10.6550 10.6550 k = 0.0897 0.0518-0.0000 ( 6099 PWs) bands (ev): -20.3517 -20.3517 -20.3500 -20.3500 -5.4751 -5.4751 -5.0944 -5.0944 -4.8985 -4.8985 -4.7906 -4.7906 -4.2047 -4.2047 -4.1632 -4.1632 -4.1558 -4.1558 -3.7975 -3.7975 0.9585 0.9585 0.9838 0.9838 1.6273 1.6273 1.6636 1.6636 2.0513 2.0513 2.1115 2.1115 3.2122 3.2122 3.2478 3.2478 3.4866 3.4866 3.6024 3.6024 3.8430 3.8430 4.7664 4.7664 5.8249 5.8249 5.8682 5.8682 6.7562 6.7562 6.8612 6.8612 7.6256 7.6256 7.7380 7.7380 9.3719 9.3719 10.5263 10.5263 10.7051 10.7051 k = 0.1026 0.0592-0.0000 ( 6094 PWs) bands (ev): -20.3515 -20.3515 -20.3498 -20.3498 -5.4651 -5.4651 -5.1019 -5.1019 -4.8867 -4.8867 -4.7907 -4.7907 -4.2039 -4.2039 -4.1661 -4.1661 -4.1534 -4.1534 -3.8028 -3.8028 0.9648 0.9648 0.9859 0.9859 1.6297 1.6297 1.6622 1.6622 2.0514 2.0514 2.1073 2.1073 3.1902 3.1902 3.2386 3.2386 3.4866 3.4866 3.6038 3.6038 3.8905 3.8905 4.7849 4.7849 5.6964 5.6964 5.7443 5.7443 6.7103 6.7103 6.8005 6.8005 7.7093 7.7093 7.8545 7.8545 9.3977 9.3977 10.5123 10.5123 10.7451 10.7451 k = 0.1154 0.0666-0.0000 ( 6086 PWs) bands (ev): -20.3513 -20.3513 -20.3496 -20.3496 -5.4539 -5.4539 -5.1094 -5.1094 -4.8745 -4.8745 -4.7907 -4.7907 -4.2030 -4.2030 -4.1694 -4.1694 -4.1505 -4.1505 -3.8088 -3.8088 0.9717 0.9717 0.9882 0.9882 1.6323 1.6323 1.6611 1.6611 2.0515 2.0515 2.1027 2.1027 3.1691 3.1691 3.2283 3.2283 3.4868 3.4868 3.6043 3.6043 3.9413 3.9413 4.8052 4.8052 5.5659 5.5659 5.6224 5.6224 6.6596 6.6596 6.7342 6.7342 7.7899 7.7899 7.9667 7.9667 9.4266 9.4266 10.4930 10.4930 10.6648 10.6648 k = 0.1282 0.0740-0.0000 ( 6074 PWs) bands (ev): -20.3511 -20.3511 -20.3494 -20.3494 -5.4417 -5.4417 -5.1168 -5.1168 -4.8621 -4.8621 -4.7905 -4.7905 -4.2022 -4.2022 -4.1729 -4.1729 -4.1470 -4.1470 -3.8154 -3.8154 0.9791 0.9791 0.9906 0.9906 1.6351 1.6351 1.6604 1.6604 2.0515 2.0515 2.0979 2.0979 3.1488 3.1488 3.2172 3.2172 3.4871 3.4871 3.6041 3.6041 3.9947 3.9947 4.8269 4.8269 5.4353 5.4353 5.5018 5.5018 6.6048 6.6048 6.6634 6.6634 7.8667 7.8667 8.0735 8.0735 9.4585 9.4585 10.4639 10.4639 10.5770 10.5770 k = 0.1410 0.0814-0.0000 ( 6086 PWs) bands (ev): -20.3508 -20.3508 -20.3491 -20.3491 -5.4285 -5.4285 -5.1240 -5.1240 -4.8495 -4.8495 -4.7902 -4.7902 -4.2015 -4.2015 -4.1767 -4.1767 -4.1430 -4.1430 -3.8227 -3.8227 0.9869 0.9869 0.9933 0.9933 1.6380 1.6380 1.6604 1.6604 2.0515 2.0515 2.0930 2.0930 3.1295 3.1295 3.2053 3.2053 3.4876 3.4876 3.6033 3.6033 4.0503 4.0503 4.8495 4.8495 5.3057 5.3057 5.3828 5.3828 6.5462 6.5462 6.5889 6.5889 7.9392 7.9392 8.1739 8.1739 9.4935 9.4935 10.4114 10.4114 10.5065 10.5065 k = 0.1538 0.0888-0.0000 ( 6086 PWs) bands (ev): -20.3505 -20.3505 -20.3489 -20.3489 -5.4144 -5.4144 -5.1310 -5.1310 -4.8368 -4.8368 -4.7895 -4.7895 -4.2009 -4.2009 -4.1808 -4.1808 -4.1384 -4.1384 -3.8305 -3.8305 0.9934 0.9934 0.9979 0.9979 1.6408 1.6408 1.6612 1.6612 2.0515 2.0515 2.0882 2.0882 3.1112 3.1112 3.1927 3.1927 3.4882 3.4882 3.6021 3.6021 4.1078 4.1078 4.8720 4.8720 5.1781 5.1781 5.2662 5.2662 6.4843 6.4843 6.5114 6.5114 8.0071 8.0071 8.2666 8.2666 9.5318 9.5318 10.3282 10.3282 10.4618 10.4618 k = 0.1667 0.0962-0.0000 ( 6078 PWs) bands (ev): -20.3502 -20.3502 -20.3486 -20.3486 -5.3997 -5.3997 -5.1378 -5.1378 -4.8241 -4.8241 -4.7885 -4.7885 -4.2005 -4.2005 -4.1850 -4.1850 -4.1332 -4.1332 -3.8388 -3.8388 0.9967 0.9967 1.0062 1.0062 1.6433 1.6433 1.6632 1.6632 2.0512 2.0512 2.0835 2.0835 3.0938 3.0938 3.1797 3.1797 3.4889 3.4889 3.6006 3.6006 4.1669 4.1669 4.8908 4.8908 5.0541 5.0541 5.1545 5.1545 6.4194 6.4194 6.4320 6.4320 8.0702 8.0702 8.3507 8.3507 9.5735 9.5735 10.2316 10.2316 10.4269 10.4269 k = 0.1795 0.1036-0.0000 ( 6078 PWs) bands (ev): -20.3499 -20.3499 -20.3483 -20.3483 -5.3843 -5.3843 -5.1444 -5.1444 -4.8115 -4.8115 -4.7870 -4.7870 -4.2002 -4.2002 -4.1893 -4.1893 -4.1275 -4.1275 -3.8476 -3.8476 0.9993 0.9993 1.0156 1.0156 1.6455 1.6455 1.6663 1.6663 2.0508 2.0508 2.0791 2.0791 3.0772 3.0772 3.1662 3.1662 3.4896 3.4896 3.5987 3.5987 4.2270 4.2270 4.8873 4.8873 4.9424 4.9424 5.0585 5.0585 6.3480 6.3480 6.3552 6.3552 8.1281 8.1281 8.4255 8.4255 9.6184 9.6184 10.1310 10.1310 10.3933 10.3933 k = 0.1923 0.1110-0.0000 ( 6080 PWs) bands (ev): -20.3496 -20.3496 -20.3480 -20.3480 -5.3685 -5.3685 -5.1506 -5.1506 -4.7991 -4.7991 -4.7851 -4.7851 -4.2003 -4.2003 -4.1935 -4.1935 -4.1213 -4.1213 -3.8569 -3.8569 1.0017 1.0017 1.0255 1.0255 1.6476 1.6476 1.6704 1.6704 2.0499 2.0499 2.0753 2.0753 3.0615 3.0615 3.1525 3.1525 3.4903 3.4903 3.5965 3.5965 4.2875 4.2875 4.8003 4.8003 4.8677 4.8677 5.0159 5.0159 6.2665 6.2665 6.2856 6.2856 8.1808 8.1808 8.4906 8.4906 9.6663 9.6663 10.0296 10.0296 10.3588 10.3588 k = 0.2051 0.1184-0.0000 ( 6094 PWs) bands (ev): -20.3492 -20.3492 -20.3477 -20.3477 -5.3524 -5.3524 -5.1566 -5.1566 -4.7868 -4.7868 -4.7825 -4.7825 -4.2016 -4.2016 -4.1967 -4.1967 -4.1148 -4.1148 -3.8665 -3.8665 1.0040 1.0040 1.0358 1.0358 1.6496 1.6496 1.6753 1.6753 2.0485 2.0485 2.0724 2.0724 3.0466 3.0466 3.1386 3.1386 3.4909 3.4909 3.5940 3.5940 4.3466 4.3466 4.6903 4.6903 4.7728 4.7728 5.0253 5.0253 6.1834 6.1834 6.2156 6.2156 8.2279 8.2279 8.5462 8.5462 9.7159 9.7159 9.9294 9.9294 10.3233 10.3233 k = 0.2179 0.1258-0.0000 ( 6088 PWs) bands (ev): -20.3489 -20.3489 -20.3474 -20.3474 -5.3363 -5.3363 -5.1621 -5.1621 -4.7791 -4.7791 -4.7749 -4.7749 -4.2051 -4.2051 -4.1979 -4.1979 -4.1080 -4.1080 -3.8764 -3.8764 1.0064 1.0064 1.0464 1.0464 1.6517 1.6517 1.6806 1.6806 2.0464 2.0464 2.0706 2.0706 3.0323 3.0323 3.1247 3.1247 3.4912 3.4912 3.5911 3.5911 4.3973 4.3973 4.5902 4.5902 4.6695 4.6695 5.0493 5.0493 6.1001 6.1001 6.1447 6.1447 8.2692 8.2692 8.5932 8.5932 9.7570 9.7570 9.8406 9.8406 10.2868 10.2868 k = 0.2308 0.1332-0.0000 ( 6092 PWs) bands (ev): -20.3486 -20.3486 -20.3470 -20.3470 -5.3203 -5.3203 -5.1673 -5.1673 -4.7750 -4.7750 -4.7632 -4.7632 -4.2096 -4.2096 -4.1981 -4.1981 -4.1011 -4.1011 -3.8863 -3.8863 1.0088 1.0088 1.0572 1.0572 1.6541 1.6541 1.6861 1.6861 2.0436 2.0436 2.0700 2.0700 3.0188 3.0188 3.1108 3.1108 3.4912 3.4912 3.5878 3.5878 4.4011 4.4011 4.5327 4.5327 4.5746 4.5746 5.0777 5.0777 6.0170 6.0170 6.0735 6.0735 8.3045 8.3045 8.6328 8.6328 9.7088 9.7088 9.8437 9.8437 10.2498 10.2498 k = 0.2436 0.1406-0.0000 ( 6096 PWs) bands (ev): -20.3482 -20.3482 -20.3467 -20.3467 -5.3047 -5.3047 -5.1720 -5.1720 -4.7700 -4.7700 -4.7518 -4.7518 -4.2144 -4.2144 -4.1982 -4.1982 -4.0944 -4.0944 -3.8961 -3.8961 1.0113 1.0113 1.0683 1.0683 1.6566 1.6566 1.6917 1.6917 2.0404 2.0404 2.0705 2.0705 3.0059 3.0059 3.0971 3.0971 3.4906 3.4906 3.5840 3.5840 4.3275 4.3275 4.4548 4.4548 4.5845 4.5845 5.1077 5.1077 5.9347 5.9347 6.0021 6.0021 8.3336 8.3336 8.6664 8.6664 9.6135 9.6135 9.8960 9.8960 10.2131 10.2131 k = 0.2564 0.1480-0.0000 ( 6088 PWs) bands (ev): -20.3478 -20.3478 -20.3464 -20.3464 -5.2898 -5.2898 -5.1761 -5.1761 -4.7640 -4.7640 -4.7407 -4.7407 -4.2193 -4.2193 -4.1982 -4.1982 -4.0883 -4.0883 -3.9056 -3.9056 1.0140 1.0140 1.0795 1.0795 1.6593 1.6593 1.6970 1.6970 2.0369 2.0369 2.0719 2.0719 2.9936 2.9936 3.0835 3.0835 3.4893 3.4893 3.5796 3.5796 4.2355 4.2355 4.3568 4.3568 4.6415 4.6415 5.1384 5.1384 5.8536 5.8536 5.9310 5.9310 8.3561 8.3561 8.6957 8.6957 9.5154 9.5154 9.9520 9.9520 10.1777 10.1777 k = 0.2692 0.1554-0.0000 ( 6088 PWs) bands (ev): -20.3475 -20.3475 -20.3460 -20.3460 -5.2759 -5.2759 -5.1794 -5.1794 -4.7570 -4.7570 -4.7299 -4.7299 -4.2242 -4.2242 -4.1982 -4.1982 -4.0831 -4.0831 -3.9142 -3.9142 1.0169 1.0169 1.0909 1.0909 1.6621 1.6621 1.7020 1.7020 2.0333 2.0333 2.0741 2.0741 2.9819 2.9819 3.0701 3.0701 3.4871 3.4871 3.5744 3.5744 4.1442 4.1442 4.2613 4.2613 4.7050 4.7050 5.1689 5.1689 5.7742 5.7742 5.8607 5.8607 8.3724 8.3724 8.7221 8.7221 9.4178 9.4178 10.0058 10.0058 10.1465 10.1465 k = 0.2821 0.1628-0.0000 ( 6094 PWs) bands (ev): -20.3472 -20.3472 -20.3457 -20.3457 -5.2635 -5.2635 -5.1818 -5.1818 -4.7490 -4.7490 -4.7192 -4.7192 -4.2290 -4.2290 -4.1982 -4.1982 -4.0794 -4.0794 -3.9215 -3.9215 1.0201 1.0201 1.1025 1.1025 1.6648 1.6648 1.7062 1.7062 2.0297 2.0297 2.0770 2.0770 2.9707 2.9707 3.0570 3.0570 3.4835 3.4835 3.5681 3.5681 4.0577 4.0577 4.1703 4.1703 4.7702 4.7702 5.1987 5.1987 5.6972 5.6972 5.7914 5.7914 8.3826 8.3826 8.7465 8.7465 9.3215 9.3215 10.0445 10.0445 10.1318 10.1318 k = 0.2949 0.1702-0.0000 ( 6094 PWs) bands (ev): -20.3468 -20.3468 -20.3454 -20.3454 -5.2530 -5.2530 -5.1827 -5.1827 -4.7402 -4.7402 -4.7084 -4.7084 -4.2338 -4.2338 -4.1982 -4.1982 -4.0778 -4.0778 -3.9271 -3.9271 1.0237 1.0237 1.1142 1.1142 1.6674 1.6674 1.7097 1.7097 2.0262 2.0262 2.0807 2.0807 2.9601 2.9601 3.0442 3.0442 3.4781 3.4781 3.5603 3.5603 3.9774 3.9774 4.0847 4.0847 4.8360 4.8360 5.2269 5.2269 5.6233 5.6233 5.7235 5.7235 8.3873 8.3873 8.7698 8.7698 9.2271 9.2271 10.0421 10.0421 10.1595 10.1595 k = 0.3077 0.1776-0.0000 ( 6106 PWs) bands (ev): -20.3465 -20.3465 -20.3451 -20.3451 -5.2449 -5.2449 -5.1820 -5.1820 -4.7309 -4.7309 -4.6972 -4.6972 -4.2385 -4.2385 -4.1982 -4.1982 -4.0790 -4.0790 -3.9302 -3.9302 1.0276 1.0276 1.1261 1.1261 1.6697 1.6697 1.7121 1.7121 2.0228 2.0228 2.0849 2.0849 2.9501 2.9501 3.0317 3.0317 3.4703 3.4703 3.5505 3.5505 3.9045 3.9045 4.0055 4.0055 4.9015 4.9015 5.2522 5.2522 5.5540 5.5540 5.6575 5.6575 8.3872 8.3872 8.7921 8.7921 9.1350 9.1350 10.0179 10.0179 10.2101 10.2101 k = 0.3205 0.1850-0.0000 ( 6098 PWs) bands (ev): -20.3462 -20.3462 -20.3448 -20.3448 -5.2395 -5.2395 -5.1795 -5.1795 -4.7214 -4.7214 -4.6853 -4.6853 -4.2432 -4.2432 -4.1982 -4.1982 -4.0833 -4.0833 -3.9309 -3.9309 1.0320 1.0320 1.1382 1.1382 1.6716 1.6716 1.7132 1.7132 2.0195 2.0195 2.0896 2.0896 2.9406 2.9406 3.0196 3.0196 3.4593 3.4593 3.5380 3.5380 3.8402 3.8402 3.9341 3.9341 4.9661 4.9661 5.2716 5.2716 5.4925 5.4925 5.5939 5.5939 8.3832 8.3832 8.8136 8.8136 9.0455 9.0455 9.9906 9.9906 10.2649 10.2649 k = 0.3333 0.1925-0.0000 ( 6098 PWs) bands (ev): -20.3458 -20.3458 -20.3445 -20.3445 -5.2366 -5.2366 -5.1753 -5.1753 -4.7122 -4.7122 -4.6720 -4.6720 -4.2477 -4.2477 -4.1982 -4.1982 -4.0906 -4.0906 -3.9290 -3.9290 1.0367 1.0367 1.1505 1.1505 1.6731 1.6731 1.7130 1.7130 2.0163 2.0163 2.0948 2.0948 2.9316 2.9316 3.0078 3.0078 3.4444 3.4444 3.5221 3.5221 3.7851 3.7851 3.8716 3.8716 5.0293 5.0293 5.2778 5.2778 5.4459 5.4459 5.5331 5.5331 8.3758 8.3758 8.8341 8.8341 8.9593 8.9593 9.9641 9.9641 10.3195 10.3195 k = 0.3462 0.1999-0.0000 ( 6096 PWs) bands (ev): -20.3455 -20.3455 -20.3442 -20.3442 -5.2355 -5.2355 -5.1701 -5.1701 -4.7038 -4.7038 -4.6572 -4.6572 -4.2522 -4.2522 -4.1982 -4.1982 -4.1007 -4.1007 -3.9250 -3.9250 1.0419 1.0419 1.1630 1.1630 1.6740 1.6740 1.7113 1.7113 2.0132 2.0132 2.1002 2.1002 2.9232 2.9232 2.9966 2.9966 3.4248 3.4248 3.5025 3.5025 3.7398 3.7398 3.8192 3.8192 5.0902 5.0902 5.2603 5.2603 5.4246 5.4246 5.4763 5.4763 8.3659 8.3659 8.8517 8.8517 8.8788 8.8788 9.9395 9.9395 10.3724 10.3724 k = 0.3590 0.2073-0.0000 ( 6102 PWs) bands (ev): -20.3453 -20.3453 -20.3439 -20.3439 -5.2357 -5.2357 -5.1645 -5.1645 -4.6964 -4.6964 -4.6406 -4.6406 -4.2566 -4.2566 -4.1982 -4.1982 -4.1130 -4.1130 -3.9196 -3.9196 1.0474 1.0474 1.1758 1.1758 1.6744 1.6744 1.7080 1.7080 2.0102 2.0102 2.1057 2.1057 2.9154 2.9154 2.9859 2.9859 3.4003 3.4003 3.4793 3.4793 3.7039 3.7039 3.7776 3.7776 5.1475 5.1475 5.2213 5.2213 5.4173 5.4173 5.4340 5.4340 8.3538 8.3538 8.7969 8.7969 8.8740 8.8740 9.9173 9.9173 10.4227 10.4227 k = 0.3718 0.2147-0.0000 ( 6102 PWs) bands (ev): -20.3450 -20.3450 -20.3437 -20.3437 -5.2366 -5.2366 -5.1591 -5.1591 -4.6899 -4.6899 -4.6225 -4.6225 -4.2610 -4.2610 -4.1982 -4.1982 -4.1270 -4.1270 -3.9131 -3.9131 1.0531 1.0531 1.1887 1.1887 1.6741 1.6741 1.7031 1.7031 2.0072 2.0072 2.1112 2.1112 2.9081 2.9081 2.9758 2.9758 3.3718 3.3718 3.4536 3.4536 3.6763 3.6763 3.7462 3.7462 5.1732 5.1732 5.1983 5.1983 5.3767 5.3767 5.4439 5.4439 8.3399 8.3399 8.7242 8.7242 8.8910 8.8910 9.8976 9.8976 10.4697 10.4697 k = 0.3846 0.2221-0.0000 ( 6106 PWs) bands (ev): -20.3448 -20.3448 -20.3435 -20.3435 -5.2378 -5.2378 -5.1541 -5.1541 -4.6843 -4.6843 -4.6030 -4.6030 -4.2654 -4.2654 -4.1982 -4.1982 -4.1422 -4.1422 -3.9062 -3.9062 1.0590 1.0590 1.2018 1.2018 1.6732 1.6732 1.6967 1.6967 2.0043 2.0043 2.1166 2.1166 2.9013 2.9013 2.9666 2.9666 3.3407 3.3407 3.4270 3.4270 3.6555 3.6555 3.7236 3.7236 5.1244 5.1244 5.2315 5.2315 5.3501 5.3501 5.4613 5.4613 8.3241 8.3241 8.6572 8.6572 8.9070 8.9070 9.8804 9.8804 10.5126 10.5126 k = 0.3974 0.2295-0.0000 ( 6110 PWs) bands (ev): -20.3445 -20.3445 -20.3433 -20.3433 -5.2392 -5.2392 -5.1497 -5.1497 -4.6795 -4.6795 -4.5824 -4.5824 -4.2700 -4.2700 -4.1982 -4.1982 -4.1580 -4.1580 -3.8991 -3.8991 1.0650 1.0650 1.2149 1.2149 1.6716 1.6716 1.6893 1.6893 2.0015 2.0015 2.1215 2.1215 2.8951 2.8951 2.9584 2.9584 3.3090 3.3090 3.4012 3.4012 3.6399 3.6399 3.7075 3.7075 5.0776 5.0776 5.2290 5.2290 5.3595 5.3595 5.4798 5.4798 8.3067 8.3067 8.5973 8.5973 8.9216 8.9216 9.8657 9.8657 10.5510 10.5510 k = 0.4103 0.2369-0.0000 ( 6112 PWs) bands (ev): -20.3443 -20.3443 -20.3431 -20.3431 -5.2406 -5.2406 -5.1458 -5.1458 -4.6754 -4.6754 -4.5611 -4.5611 -4.2751 -4.2751 -4.1982 -4.1982 -4.1741 -4.1741 -3.8923 -3.8923 1.0708 1.0708 1.2280 1.2280 1.6689 1.6689 1.6815 1.6815 1.9989 1.9989 2.1260 2.1260 2.8894 2.8894 2.9513 2.9513 3.2782 3.2782 3.3774 3.3774 3.6284 3.6284 3.6963 3.6963 5.0344 5.0344 5.2027 5.2027 5.3925 5.3925 5.4977 5.4977 8.2874 8.2874 8.5454 8.5454 8.9347 8.9347 9.8533 9.8533 10.5846 10.5846 k = 0.4231 0.2443-0.0000 ( 6110 PWs) bands (ev): -20.3442 -20.3442 -20.3429 -20.3429 -5.2420 -5.2420 -5.1426 -5.1426 -4.6720 -4.6720 -4.5393 -4.5393 -4.2808 -4.2808 -4.1984 -4.1984 -4.1895 -4.1895 -3.8859 -3.8859 1.0764 1.0764 1.2407 1.2407 1.6636 1.6636 1.6751 1.6751 1.9964 1.9964 2.1300 2.1300 2.8842 2.8842 2.9453 2.9453 3.2497 3.2497 3.3565 3.3565 3.6199 3.6199 3.6884 3.6884 4.9957 4.9957 5.1724 5.1724 5.4291 5.4291 5.5148 5.5148 8.2664 8.2664 8.5022 8.5022 8.9462 8.9462 9.8432 9.8432 10.6131 10.6131 k = 0.4359 0.2517-0.0000 ( 6108 PWs) bands (ev): -20.3440 -20.3440 -20.3428 -20.3428 -5.2431 -5.2431 -5.1399 -5.1399 -4.6691 -4.6691 -4.5177 -4.5177 -4.2877 -4.2877 -4.2044 -4.2044 -4.1978 -4.1978 -3.8802 -3.8802 1.0815 1.0815 1.2528 1.2528 1.6555 1.6555 1.6713 1.6713 1.9942 1.9942 2.1333 2.1333 2.8797 2.8797 2.9404 2.9404 3.2246 3.2246 3.3388 3.3388 3.6135 3.6135 3.6828 3.6828 4.9621 4.9621 5.1442 5.1442 5.4623 5.4623 5.5309 5.5309 8.2446 8.2446 8.4681 8.4681 8.9560 8.9560 9.8350 9.8350 10.6365 10.6365 k = 0.4487 0.2591-0.0000 ( 6116 PWs) bands (ev): -20.3439 -20.3439 -20.3426 -20.3426 -5.2442 -5.2442 -5.1378 -5.1378 -4.6669 -4.6669 -4.4965 -4.4965 -4.2961 -4.2961 -4.2164 -4.2164 -4.1980 -4.1980 -3.8753 -3.8753 1.0859 1.0859 1.2639 1.2639 1.6465 1.6465 1.6689 1.6689 1.9922 1.9922 2.1360 2.1360 2.8758 2.8758 2.9367 2.9367 3.2034 3.2034 3.3244 3.3244 3.6089 3.6089 3.6789 3.6789 4.9340 4.9340 5.1200 5.1200 5.4894 5.4894 5.5461 5.5461 8.2233 8.2233 8.4423 8.4423 8.9642 8.9642 9.8287 9.8287 10.6551 10.6551 k = 0.4615 0.2665-0.0000 ( 6114 PWs) bands (ev): -20.3438 -20.3438 -20.3425 -20.3425 -5.2450 -5.2450 -5.1362 -5.1362 -4.6651 -4.6651 -4.4768 -4.4768 -4.3059 -4.3059 -4.2259 -4.2259 -4.1980 -4.1980 -3.8714 -3.8714 1.0896 1.0896 1.2733 1.2733 1.6380 1.6380 1.6670 1.6670 1.9906 1.9906 2.1381 2.1381 2.8727 2.8727 2.9339 2.9339 3.1866 3.1866 3.3134 3.3134 3.6056 3.6056 3.6763 3.6763 4.9118 4.9118 5.1007 5.1007 5.5095 5.5095 5.5602 5.5602 8.2042 8.2042 8.4238 8.4238 8.9705 8.9705 9.8240 9.8240 10.6692 10.6692 k = 0.4744 0.2739-0.0000 ( 6118 PWs) bands (ev): -20.3437 -20.3437 -20.3425 -20.3425 -5.2456 -5.2456 -5.1351 -5.1351 -4.6639 -4.6639 -4.4597 -4.4597 -4.3161 -4.3161 -4.2324 -4.2324 -4.1980 -4.1980 -3.8685 -3.8685 1.0923 1.0923 1.2807 1.2807 1.6312 1.6312 1.6657 1.6657 1.9895 1.9895 2.1395 2.1395 2.8704 2.8704 2.9321 2.9321 3.1745 3.1745 3.3056 3.3056 3.6034 3.6034 3.6745 3.6745 4.8958 4.8958 5.0866 5.0866 5.5226 5.5226 5.5720 5.5720 8.1892 8.1892 8.4115 8.4115 8.9751 8.9751 9.8207 9.8207 10.6789 10.6789 k = 0.4872 0.2813-0.0000 ( 6130 PWs) bands (ev): -20.3437 -20.3437 -20.3424 -20.3424 -5.2459 -5.2459 -5.1344 -5.1344 -4.6632 -4.6632 -4.4475 -4.4475 -4.3244 -4.3244 -4.2361 -4.2361 -4.1980 -4.1980 -3.8668 -3.8668 1.0940 1.0940 1.2853 1.2853 1.6268 1.6268 1.6649 1.6649 1.9887 1.9887 2.1404 2.1404 2.8689 2.8689 2.9311 2.9311 3.1672 3.1672 3.3010 3.3010 3.6021 3.6021 3.6736 3.6736 4.8861 4.8861 5.0781 5.0781 5.5299 5.5299 5.5799 5.5799 8.1796 8.1796 8.4045 8.4045 8.9778 8.9778 9.8188 9.8188 10.6847 10.6847 k = 0.5000 0.2887-0.0000 ( 6130 PWs) bands (ev): -20.3437 -20.3437 -20.3424 -20.3424 -5.2460 -5.2460 -5.1342 -5.1342 -4.6629 -4.6629 -4.4429 -4.4429 -4.3277 -4.3277 -4.2373 -4.2373 -4.1980 -4.1980 -3.8662 -3.8662 1.0945 1.0945 1.2869 1.2869 1.6252 1.6252 1.6646 1.6646 1.9885 1.9885 2.1407 2.1407 2.8685 2.8685 2.9307 2.9307 3.1648 3.1648 3.2995 3.2995 3.6017 3.6017 3.6733 3.6733 4.8828 4.8828 5.0752 5.0752 5.5323 5.5323 5.5827 5.5827 8.1763 8.1763 8.4022 8.4022 8.9787 8.9787 9.8182 9.8182 10.6865 10.6865 k = 0.5000 0.2887-0.0000 ( 6130 PWs) bands (ev): -20.3437 -20.3437 -20.3424 -20.3424 -5.2460 -5.2460 -5.1342 -5.1342 -4.6629 -4.6629 -4.4429 -4.4429 -4.3277 -4.3277 -4.2373 -4.2373 -4.1980 -4.1980 -3.8662 -3.8662 1.0945 1.0945 1.2869 1.2869 1.6252 1.6252 1.6646 1.6646 1.9885 1.9885 2.1407 2.1407 2.8685 2.8685 2.9307 2.9307 3.1648 3.1648 3.2995 3.2995 3.6017 3.6017 3.6733 3.6733 4.8828 4.8828 5.0752 5.0752 5.5323 5.5323 5.5827 5.5827 8.1763 8.1763 8.4022 8.4022 8.9787 8.9787 9.8182 9.8182 10.6865 10.6865 k = 0.4928 0.3012-0.0000 ( 6128 PWs) bands (ev): -20.3436 -20.3436 -20.3424 -20.3424 -5.2459 -5.2459 -5.1342 -5.1342 -4.6631 -4.6631 -4.4428 -4.4428 -4.3276 -4.3276 -4.2374 -4.2374 -4.1975 -4.1975 -3.8665 -3.8665 1.0945 1.0945 1.2863 1.2863 1.6200 1.6200 1.6719 1.6719 1.9882 1.9882 2.1414 2.1414 2.8673 2.8673 2.9309 2.9309 3.1652 3.1652 3.3000 3.3000 3.6016 3.6016 3.6730 3.6730 4.8777 4.8777 5.0681 5.0681 5.5322 5.5322 5.5843 5.5843 8.1807 8.1807 8.4092 8.4092 8.9853 8.9853 9.8142 9.8142 10.6896 10.6896 k = 0.4855 0.3138-0.0000 ( 6126 PWs) bands (ev): -20.3436 -20.3436 -20.3424 -20.3424 -5.2453 -5.2453 -5.1342 -5.1342 -4.6637 -4.6637 -4.4426 -4.4426 -4.3272 -4.3272 -4.2377 -4.2377 -4.1962 -4.1962 -3.8673 -3.8673 1.0942 1.0942 1.2846 1.2846 1.6101 1.6101 1.6882 1.6882 1.9875 1.9875 2.1436 2.1436 2.8639 2.8639 2.9314 2.9314 3.1666 3.1666 3.3018 3.3018 3.6012 3.6012 3.6722 3.6722 4.8624 4.8624 5.0471 5.0471 5.5322 5.5322 5.5887 5.5887 8.1929 8.1929 8.4305 8.4305 9.0046 9.0046 9.8023 9.8023 10.6986 10.6986 k = 0.4783 0.3263-0.0000 ( 6122 PWs) bands (ev): -20.3436 -20.3436 -20.3424 -20.3424 -5.2443 -5.2443 -5.1343 -5.1343 -4.6646 -4.6646 -4.4423 -4.4423 -4.3265 -4.3265 -4.2383 -4.2383 -4.1939 -4.1939 -3.8686 -3.8686 1.0938 1.0938 1.2817 1.2817 1.6003 1.6003 1.7084 1.7084 1.9863 1.9863 2.1472 2.1472 2.8586 2.8586 2.9318 2.9318 3.1688 3.1688 3.3047 3.3047 3.6006 3.6006 3.6709 3.6709 4.8371 4.8371 5.0135 5.0135 5.5327 5.5327 5.5955 5.5955 8.2109 8.2109 8.4673 8.4673 9.0364 9.0364 9.7830 9.7830 10.7136 10.7136 k = 0.4710 0.3389-0.0000 ( 6114 PWs) bands (ev): -20.3436 -20.3436 -20.3424 -20.3424 -5.2430 -5.2430 -5.1343 -5.1343 -4.6658 -4.6658 -4.4418 -4.4418 -4.3257 -4.3257 -4.2391 -4.2391 -4.1907 -4.1907 -3.8704 -3.8704 1.0932 1.0932 1.2778 1.2778 1.5920 1.5920 1.7311 1.7311 1.9847 1.9847 2.1520 2.1520 2.8518 2.8518 2.9320 2.9320 3.1719 3.1719 3.3087 3.3087 3.5997 3.5997 3.6692 3.6692 4.8021 4.8021 4.9690 4.9690 5.5339 5.5339 5.6042 5.6042 8.2323 8.2323 8.5202 8.5202 9.0796 9.0796 9.7567 9.7567 10.7346 10.7346 k = 0.4638 0.3514-0.0000 ( 6114 PWs) bands (ev): -20.3435 -20.3435 -20.3423 -20.3423 -5.2413 -5.2413 -5.1344 -5.1344 -4.6673 -4.6673 -4.4413 -4.4413 -4.3246 -4.3246 -4.2401 -4.2401 -4.1865 -4.1865 -3.8728 -3.8728 1.0924 1.0924 1.2731 1.2731 1.5853 1.5853 1.7557 1.7557 1.9827 1.9827 2.1580 2.1580 2.8438 2.8438 2.9315 2.9315 3.1760 3.1760 3.3139 3.3139 3.5984 3.5984 3.6671 3.6671 4.7576 4.7576 4.9159 4.9159 5.5360 5.5360 5.6144 5.6144 8.2557 8.2557 8.5888 8.5888 9.1334 9.1334 9.7245 9.7245 10.7616 10.7616 k = 0.4565 0.3640-0.0000 ( 6116 PWs) bands (ev): -20.3435 -20.3435 -20.3423 -20.3423 -5.2393 -5.2393 -5.1344 -5.1344 -4.6690 -4.6690 -4.4406 -4.4406 -4.3233 -4.3233 -4.2414 -4.2414 -4.1815 -4.1815 -3.8757 -3.8757 1.0915 1.0915 1.2678 1.2678 1.5804 1.5804 1.7820 1.7820 1.9806 1.9806 2.1650 2.1650 2.8350 2.8350 2.9304 2.9304 3.1809 3.1809 3.3203 3.3203 3.5966 3.5966 3.6649 3.6649 4.7040 4.7040 4.8564 4.8564 5.5392 5.5392 5.6259 5.6259 8.2804 8.2804 8.6713 8.6713 9.1962 9.1962 9.6871 9.6871 10.7946 10.7946 k = 0.4493 0.3765-0.0000 ( 6120 PWs) bands (ev): -20.3434 -20.3434 -20.3422 -20.3422 -5.2371 -5.2371 -5.1345 -5.1345 -4.6709 -4.6709 -4.4398 -4.4398 -4.3218 -4.3218 -4.2429 -4.2429 -4.1756 -4.1756 -3.8791 -3.8791 1.0904 1.0904 1.2621 1.2621 1.5770 1.5770 1.8098 1.8098 1.9783 1.9783 2.1728 2.1728 2.8257 2.8257 2.9283 2.9283 3.1867 3.1867 3.3279 3.3279 3.5943 3.5943 3.6626 3.6626 4.6421 4.6421 4.7927 4.7927 5.5435 5.5435 5.6383 5.6383 8.3064 8.3064 8.7653 8.7653 9.2662 9.2662 9.6462 9.6462 10.8336 10.8336 k = 0.4420 0.3891-0.0000 ( 6118 PWs) bands (ev): -20.3434 -20.3434 -20.3422 -20.3422 -5.2346 -5.2346 -5.1346 -5.1346 -4.6730 -4.6730 -4.4390 -4.4390 -4.3202 -4.3202 -4.2447 -4.2447 -4.1688 -4.1688 -3.8831 -3.8831 1.0890 1.0890 1.2564 1.2564 1.5748 1.5748 1.8387 1.8387 1.9759 1.9759 2.1813 2.1813 2.8160 2.8160 2.9254 2.9254 3.1935 3.1935 3.3367 3.3367 3.5913 3.5913 3.6604 3.6604 4.5729 4.5729 4.7264 4.7264 5.5488 5.5488 5.6516 5.6516 8.3339 8.3339 8.8680 8.8680 9.3409 9.3409 9.6040 9.6040 10.8786 10.8786 k = 0.4348 0.4016-0.0000 ( 6103 PWs) bands (ev): -20.3433 -20.3433 -20.3421 -20.3421 -5.2320 -5.2320 -5.1346 -5.1346 -4.6752 -4.6752 -4.4380 -4.4380 -4.3185 -4.3185 -4.2466 -4.2466 -4.1613 -4.1613 -3.8876 -3.8876 1.0875 1.0875 1.2509 1.2509 1.5737 1.5737 1.8687 1.8687 1.9736 1.9736 2.1903 2.1903 2.8062 2.8062 2.9215 2.9215 3.2012 3.2012 3.3467 3.3467 3.5876 3.5876 3.6583 3.6583 4.4978 4.4978 4.6586 4.6586 5.5551 5.5551 5.6655 5.6655 8.3630 8.3630 8.9764 8.9764 9.4132 9.4132 9.5672 9.5672 10.9295 10.9295 k = 0.4275 0.4142-0.0000 ( 6111 PWs) bands (ev): -20.3433 -20.3433 -20.3420 -20.3420 -5.2292 -5.2292 -5.1347 -5.1347 -4.6773 -4.6773 -4.4370 -4.4370 -4.3167 -4.3167 -4.2487 -4.2487 -4.1530 -4.1530 -3.8927 -3.8927 1.0858 1.0858 1.2458 1.2458 1.5732 1.5732 1.8995 1.8995 1.9714 1.9714 2.1995 2.1995 2.7964 2.7964 2.9168 2.9168 3.2099 3.2099 3.3579 3.3579 3.5833 3.5833 3.6565 3.6565 4.4187 4.4187 4.5900 4.5900 5.5622 5.5622 5.6799 5.6799 8.3937 8.3937 9.0867 9.0867 9.4515 9.4515 9.5676 9.5676 10.9864 10.9864 k = 0.4203 0.4267-0.0000 ( 6107 PWs) bands (ev): -20.3432 -20.3432 -20.3420 -20.3420 -5.2264 -5.2264 -5.1348 -5.1348 -4.6795 -4.6795 -4.4358 -4.4358 -4.3148 -4.3148 -4.2509 -4.2509 -4.1442 -4.1442 -3.8982 -3.8982 1.0838 1.0838 1.2414 1.2414 1.5732 1.5732 1.9303 1.9303 1.9701 1.9701 2.2088 2.2088 2.7868 2.7868 2.9111 2.9111 3.2197 3.2197 3.3703 3.3703 3.5783 3.5783 3.6551 3.6551 4.3374 4.3374 4.5210 4.5210 5.5700 5.5700 5.6946 5.6946 8.4260 8.4260 9.1921 9.1921 9.4336 9.4336 9.6312 9.6312 11.0491 11.0491 k = 0.4130 0.4393-0.0000 ( 6109 PWs) bands (ev): -20.3431 -20.3431 -20.3419 -20.3419 -5.2236 -5.2236 -5.1349 -5.1349 -4.6815 -4.6815 -4.4346 -4.4346 -4.3128 -4.3128 -4.2532 -4.2532 -4.1349 -4.1349 -3.9043 -3.9043 1.0817 1.0817 1.2378 1.2378 1.5734 1.5734 1.9556 1.9556 1.9747 1.9747 2.2181 2.2181 2.7775 2.7775 2.9046 2.9046 3.2305 3.2305 3.3839 3.3839 3.5727 3.5727 3.6539 3.6539 4.2556 4.2556 4.4519 4.4519 5.5783 5.5783 5.7094 5.7094 8.4597 8.4597 9.2692 9.2692 9.4236 9.4236 9.7138 9.7138 11.1176 11.1176 k = 0.4058 0.4518-0.0000 ( 6117 PWs) bands (ev): -20.3430 -20.3430 -20.3418 -20.3418 -5.2208 -5.2208 -5.1349 -5.1349 -4.6835 -4.6835 -4.4333 -4.4333 -4.3108 -4.3108 -4.2556 -4.2556 -4.1251 -4.1251 -3.9107 -3.9107 1.0793 1.0793 1.2352 1.2352 1.5736 1.5736 1.9605 1.9605 2.0003 2.0003 2.2270 2.2270 2.7687 2.7687 2.8974 2.8974 3.2424 3.2424 3.3987 3.3987 3.5667 3.5667 3.6531 3.6531 4.1748 4.1748 4.3831 4.3831 5.5871 5.5871 5.7242 5.7242 8.4945 8.4945 9.2717 9.2717 9.4806 9.4806 9.7989 9.7989 11.1916 11.1916 k = 0.3986 0.4644-0.0000 ( 6113 PWs) bands (ev): -20.3430 -20.3430 -20.3418 -20.3418 -5.2181 -5.2181 -5.1350 -5.1350 -4.6853 -4.6853 -4.4319 -4.4319 -4.3089 -4.3089 -4.2581 -4.2581 -4.1152 -4.1152 -3.9176 -3.9176 1.0769 1.0769 1.2335 1.2335 1.5736 1.5736 1.9595 1.9595 2.0317 2.0317 2.2355 2.2355 2.7604 2.7604 2.8894 2.8894 3.2553 3.2553 3.4145 3.4145 3.5604 3.5604 3.6525 3.6525 4.0967 4.0967 4.3150 4.3150 5.5960 5.5960 5.7388 5.7388 8.5302 8.5302 9.2327 9.2327 9.5723 9.5723 9.8822 9.8822 11.2709 11.2709 k = 0.3913 0.4769-0.0000 ( 6109 PWs) bands (ev): -20.3429 -20.3429 -20.3417 -20.3417 -5.2156 -5.2156 -5.1350 -5.1350 -4.6869 -4.6869 -4.4304 -4.4304 -4.3069 -4.3069 -4.2606 -4.2606 -4.1051 -4.1051 -3.9248 -3.9248 1.0744 1.0744 1.2328 1.2328 1.5733 1.5733 1.9579 1.9579 2.0634 2.0634 2.2433 2.2433 2.7527 2.7527 2.8810 2.8810 3.2692 3.2692 3.4312 3.4312 3.5542 3.5542 3.6521 3.6521 4.0226 4.0226 4.2480 4.2480 5.6050 5.6050 5.7528 5.7528 8.5665 8.5665 9.1846 9.1846 9.6654 9.6654 9.9613 9.9613 11.3548 11.3548 k = 0.3841 0.4895-0.0000 ( 6113 PWs) bands (ev): -20.3428 -20.3428 -20.3416 -20.3416 -5.2133 -5.2133 -5.1349 -5.1349 -4.6883 -4.6883 -4.4288 -4.4288 -4.3049 -4.3049 -4.2630 -4.2630 -4.0951 -4.0951 -3.9321 -3.9321 1.0720 1.0720 1.2330 1.2330 1.5726 1.5726 1.9564 1.9564 2.0942 2.0942 2.2504 2.2504 2.7456 2.7456 2.8721 2.8721 3.2839 3.2839 3.4483 3.4483 3.5484 3.5484 3.6519 3.6519 3.9540 3.9540 4.1826 4.1826 5.6138 5.6138 5.7661 5.7661 8.6030 8.6030 9.1348 9.1348 9.7512 9.7512 10.0345 10.0345 11.4427 11.4427 k = 0.3768 0.5020-0.0000 ( 6113 PWs) bands (ev): -20.3428 -20.3428 -20.3416 -20.3416 -5.2113 -5.2113 -5.1349 -5.1349 -4.6894 -4.6894 -4.4272 -4.4272 -4.3030 -4.3030 -4.2655 -4.2655 -4.0854 -4.0854 -3.9396 -3.9396 1.0697 1.0697 1.2339 1.2339 1.5716 1.5716 1.9549 1.9549 2.1235 2.1235 2.2566 2.2566 2.7393 2.7393 2.8632 2.8632 3.2993 3.2993 3.4647 3.4647 3.5434 3.5434 3.6518 3.6518 3.8928 3.8928 4.1194 4.1194 5.6222 5.6222 5.7784 5.7784 8.6395 8.6395 9.0854 9.0854 9.8262 9.8262 10.1002 10.1002 11.5330 11.5330 k = 0.3696 0.5146-0.0000 ( 6101 PWs) bands (ev): -20.3427 -20.3427 -20.3415 -20.3415 -5.2095 -5.2095 -5.1348 -5.1348 -4.6903 -4.6903 -4.4255 -4.4255 -4.3012 -4.3012 -4.2678 -4.2678 -4.0762 -4.0762 -3.9468 -3.9468 1.0676 1.0676 1.2353 1.2353 1.5703 1.5703 1.9537 1.9537 2.1505 2.1505 2.2618 2.2618 2.7337 2.7337 2.8544 2.8544 3.3150 3.3150 3.4789 3.4789 3.5400 3.5400 3.6518 3.6518 3.8413 3.8413 4.0587 4.0587 5.6300 5.6300 5.7895 5.7895 8.6755 8.6755 9.0376 9.0376 9.8887 9.8887 10.1571 10.1571 11.6219 11.6219 k = 0.3623 0.5271-0.0000 ( 6113 PWs) bands (ev): -20.3427 -20.3427 -20.3415 -20.3415 -5.2081 -5.2081 -5.1347 -5.1347 -4.6911 -4.6911 -4.4239 -4.4239 -4.2996 -4.2996 -4.2700 -4.2700 -4.0679 -4.0679 -3.9536 -3.9536 1.0659 1.0659 1.2371 1.2371 1.5688 1.5688 1.9526 1.9526 2.1743 2.1743 2.2661 2.2661 2.7288 2.7288 2.8462 2.8462 3.3306 3.3306 3.4888 3.4888 3.5386 3.5386 3.6518 3.6518 3.8023 3.8023 4.0012 4.0012 5.6369 5.6369 5.7992 5.7992 8.7107 8.7107 8.9920 8.9920 9.9381 9.9381 10.2044 10.2044 11.6356 11.6356 k = 0.3551 0.5397-0.0000 ( 6127 PWs) bands (ev): -20.3426 -20.3426 -20.3414 -20.3414 -5.2070 -5.2070 -5.1346 -5.1346 -4.6915 -4.6915 -4.4224 -4.4224 -4.2981 -4.2981 -4.2719 -4.2719 -4.0609 -4.0609 -3.9596 -3.9596 1.0646 1.0646 1.2389 1.2389 1.5672 1.5672 1.9518 1.9518 2.1941 2.1941 2.2694 2.2694 2.7249 2.7249 2.8391 2.8391 3.3453 3.3453 3.4935 3.4935 3.5381 3.5381 3.6519 3.6519 3.7791 3.7791 3.9477 3.9477 5.6427 5.6427 5.8071 5.8071 8.7450 8.7450 8.9493 8.9493 9.9747 9.9747 10.2412 10.2412 11.6061 11.6061 k = 0.3478 0.5522-0.0000 ( 6127 PWs) bands (ev): -20.3426 -20.3426 -20.3414 -20.3414 -5.2063 -5.2063 -5.1345 -5.1345 -4.6918 -4.6918 -4.4211 -4.4211 -4.2970 -4.2970 -4.2734 -4.2734 -4.0555 -4.0555 -3.9642 -3.9642 1.0636 1.0636 1.2405 1.2405 1.5657 1.5657 1.9512 1.9512 2.2089 2.2089 2.2718 2.2718 2.7220 2.7220 2.8335 2.8335 3.3577 3.3577 3.4947 3.4947 3.5359 3.5359 3.6519 3.6519 3.7737 3.7737 3.8993 3.8993 5.6472 5.6472 5.8131 5.8131 8.7781 8.7781 8.9097 8.9097 9.9992 9.9992 10.2672 10.2672 11.5839 11.5839 k = 0.3406 0.5648-0.0000 ( 6135 PWs) bands (ev): -20.3426 -20.3426 -20.3414 -20.3414 -5.2059 -5.2059 -5.1344 -5.1344 -4.6920 -4.6920 -4.4202 -4.4202 -4.2963 -4.2963 -4.2745 -4.2745 -4.0522 -4.0522 -3.9672 -3.9672 1.0631 1.0631 1.2417 1.2417 1.5647 1.5647 1.9508 1.9508 2.2182 2.2182 2.2731 2.2731 2.7202 2.7202 2.8299 2.8299 3.3662 3.3662 3.4949 3.4949 3.5323 3.5323 3.6520 3.6520 3.7838 3.7838 3.8584 3.8584 5.6501 5.6501 5.8168 5.8168 8.8097 8.8097 8.8740 8.8740 10.0129 10.0129 10.2825 10.2825 11.5703 11.5703 k = 0.3333 0.5774-0.0000 ( 6135 PWs) bands (ev): -20.3426 -20.3426 -20.3414 -20.3414 -5.2057 -5.2057 -5.1344 -5.1344 -4.6920 -4.6920 -4.4198 -4.4198 -4.2960 -4.2960 -4.2748 -4.2748 -4.0511 -4.0511 -3.9681 -3.9681 1.0629 1.0629 1.2421 1.2421 1.5643 1.5643 1.9507 1.9507 2.2213 2.2213 2.2736 2.2736 2.7196 2.7196 2.8286 2.8286 3.3691 3.3691 3.4952 3.4952 3.5303 3.5303 3.6520 3.6520 3.7958 3.7958 3.8365 3.8365 5.6511 5.6511 5.8181 5.8181 8.8345 8.8345 8.8477 8.8477 10.0172 10.0172 10.2874 10.2874 11.5658 11.5658 k = 0.3333 0.5774-0.0000 ( 6135 PWs) bands (ev): -20.3426 -20.3426 -20.3414 -20.3414 -5.2057 -5.2057 -5.1344 -5.1344 -4.6920 -4.6920 -4.4198 -4.4198 -4.2960 -4.2960 -4.2748 -4.2748 -4.0511 -4.0511 -3.9681 -3.9681 1.0629 1.0629 1.2421 1.2421 1.5643 1.5643 1.9507 1.9507 2.2213 2.2213 2.2736 2.2736 2.7196 2.7196 2.8286 2.8286 3.3691 3.3691 3.4952 3.4952 3.5303 3.5303 3.6520 3.6520 3.7958 3.7958 3.8365 3.8365 5.6511 5.6511 5.8181 5.8181 8.8345 8.8345 8.8477 8.8477 10.0172 10.0172 10.2874 10.2874 11.5658 11.5658 k = 0.3259 0.5645-0.0000 ( 6133 PWs) bands (ev): -20.3426 -20.3426 -20.3414 -20.3414 -5.2059 -5.2059 -5.1344 -5.1344 -4.6920 -4.6920 -4.4203 -4.4203 -4.2962 -4.2962 -4.2745 -4.2745 -4.0521 -4.0521 -3.9672 -3.9672 1.0631 1.0631 1.2416 1.2416 1.5648 1.5648 1.9508 1.9508 2.2181 2.2181 2.2731 2.2731 2.7202 2.7202 2.8300 2.8300 3.3664 3.3664 3.4946 3.4946 3.5326 3.5326 3.6520 3.6520 3.7832 3.7832 3.8592 3.8592 5.6499 5.6499 5.8167 5.8167 8.8118 8.8118 8.8721 8.8721 10.0132 10.0132 10.2826 10.2826 11.5705 11.5705 k = 0.3185 0.5517-0.0000 ( 6127 PWs) bands (ev): -20.3426 -20.3426 -20.3414 -20.3414 -5.2062 -5.2062 -5.1346 -5.1346 -4.6920 -4.6920 -4.4219 -4.4219 -4.2967 -4.2967 -4.2733 -4.2733 -4.0545 -4.0545 -3.9650 -3.9650 1.0635 1.0635 1.2399 1.2399 1.5664 1.5664 1.9512 1.9512 2.2088 2.2088 2.2718 2.2718 2.7219 2.7219 2.8341 2.8341 3.3596 3.3596 3.4933 3.4933 3.5371 3.5371 3.6521 3.6521 3.7722 3.7722 3.9015 3.9015 5.6463 5.6463 5.8123 5.8123 8.7881 8.7881 8.9012 8.9012 10.0021 10.0021 10.2688 10.2688 11.5846 11.5846 k = 0.3111 0.5389-0.0000 ( 6131 PWs) bands (ev): -20.3426 -20.3426 -20.3415 -20.3415 -5.2068 -5.2068 -5.1349 -5.1349 -4.6920 -4.6920 -4.4249 -4.4249 -4.2972 -4.2972 -4.2715 -4.2715 -4.0577 -4.0577 -3.9620 -3.9620 1.0640 1.0640 1.2368 1.2368 1.5694 1.5694 1.9517 1.9517 2.1942 2.1942 2.2695 2.2695 2.7244 2.7244 2.8408 2.8408 3.3509 3.3509 3.4920 3.4920 3.5392 3.5392 3.6529 3.6529 3.7756 3.7756 3.9516 3.9516 5.6400 5.6400 5.8050 5.8050 8.7691 8.7691 8.9298 8.9298 9.9849 9.9849 10.2474 10.2474 11.6075 11.6075 k = 0.3037 0.5260-0.0000 ( 6127 PWs) bands (ev): -20.3427 -20.3427 -20.3415 -20.3415 -5.2074 -5.2074 -5.1354 -5.1354 -4.6921 -4.6921 -4.4297 -4.4297 -4.2974 -4.2974 -4.2692 -4.2692 -4.0609 -4.0609 -3.9589 -3.9589 1.0646 1.0646 1.2325 1.2325 1.5738 1.5738 1.9525 1.9525 2.1752 2.1752 2.2664 2.2664 2.7275 2.7275 2.8499 2.8499 3.3422 3.3422 3.4914 3.4914 3.5367 3.5367 3.6544 3.6544 3.7955 3.7955 4.0071 4.0071 5.6306 5.6306 5.7946 5.7946 8.7550 8.7550 8.9583 8.9583 9.9627 9.9627 10.2193 10.2193 11.6382 11.6382 k = 0.2963 0.5132-0.0000 ( 6127 PWs) bands (ev): -20.3428 -20.3428 -20.3416 -20.3416 -5.2082 -5.2082 -5.1360 -5.1360 -4.6924 -4.6924 -4.4365 -4.4365 -4.2971 -4.2971 -4.2665 -4.2665 -4.0636 -4.0636 -3.9560 -3.9560 1.0650 1.0650 1.2270 1.2270 1.5796 1.5796 1.9533 1.9533 2.1530 2.1530 2.2623 2.2623 2.7312 2.7312 2.8611 2.8611 3.3344 3.3344 3.4918 3.4918 3.5309 3.5309 3.6565 3.6565 3.8300 3.8300 4.0671 4.0671 5.6180 5.6180 5.7811 5.7811 8.7460 8.7460 8.9871 8.9871 9.9362 9.9362 10.1858 10.1858 11.6624 11.6624 k = 0.2889 0.5004-0.0000 ( 6125 PWs) bands (ev): -20.3429 -20.3429 -20.3417 -20.3417 -5.2090 -5.2090 -5.1370 -5.1370 -4.6929 -4.6929 -4.4453 -4.4453 -4.2962 -4.2962 -4.2633 -4.2633 -4.0656 -4.0656 -3.9536 -3.9536 1.0652 1.0652 1.2205 1.2205 1.5866 1.5866 1.9543 1.9543 2.1286 2.1286 2.2573 2.2573 2.7353 2.7353 2.8739 2.8739 3.3284 3.3284 3.4936 3.4936 3.5245 3.5245 3.6589 3.6589 3.8763 3.8763 4.1311 4.1311 5.6018 5.6018 5.7647 5.7647 8.7422 8.7422 9.0167 9.0167 9.9060 9.9060 10.1478 10.1478 11.5862 11.5862 k = 0.2815 0.4875-0.0000 ( 6117 PWs) bands (ev): -20.3430 -20.3430 -20.3418 -20.3418 -5.2098 -5.2098 -5.1382 -5.1382 -4.6937 -4.6937 -4.4561 -4.4561 -4.2946 -4.2946 -4.2599 -4.2599 -4.0665 -4.0665 -3.9520 -3.9520 1.0649 1.0649 1.2133 1.2133 1.5946 1.5946 1.9552 1.9552 2.1028 2.1028 2.2514 2.2514 2.7399 2.7399 2.8879 2.8879 3.3247 3.3247 3.4970 3.4970 3.5192 3.5192 3.6617 3.6617 3.9316 3.9316 4.1987 4.1987 5.5819 5.5819 5.7456 5.7456 8.7437 8.7437 9.0473 9.0473 9.8726 9.8726 10.1062 10.1062 11.4902 11.4902 k = 0.2741 0.4747-0.0000 ( 6123 PWs) bands (ev): -20.3431 -20.3431 -20.3419 -20.3419 -5.2105 -5.2105 -5.1398 -5.1398 -4.6948 -4.6948 -4.4687 -4.4687 -4.2925 -4.2925 -4.2561 -4.2561 -4.0663 -4.0663 -3.9513 -3.9513 1.0640 1.0640 1.2056 1.2056 1.6034 1.6034 1.9558 1.9558 2.0766 2.0766 2.2444 2.2444 2.7452 2.7452 2.9028 2.9028 3.3237 3.3237 3.5026 3.5026 3.5158 3.5158 3.6650 3.6650 3.9942 3.9942 4.2696 4.2696 5.5580 5.5580 5.7240 5.7240 8.7505 8.7505 9.0794 9.0794 9.8364 9.8364 10.0617 10.0617 11.3907 11.3907 k = 0.2667 0.4619-0.0000 ( 6119 PWs) bands (ev): -20.3432 -20.3432 -20.3420 -20.3420 -5.2112 -5.2112 -5.1417 -5.1417 -4.6963 -4.6963 -4.4830 -4.4830 -4.2898 -4.2898 -4.2521 -4.2521 -4.0648 -4.0648 -3.9516 -3.9516 1.0625 1.0625 1.1978 1.1978 1.6127 1.6127 1.9558 1.9558 2.0510 2.0510 2.2364 2.2364 2.7513 2.7513 2.9181 2.9181 3.3259 3.3259 3.5108 3.5108 3.5148 3.5148 3.6690 3.6690 4.0629 4.0629 4.3434 4.3434 5.5299 5.5299 5.7003 5.7003 8.7626 8.7626 9.1132 9.1132 9.7976 9.7976 10.0150 10.0150 11.2898 11.2898 k = 0.2593 0.4491-0.0000 ( 6127 PWs) bands (ev): -20.3434 -20.3434 -20.3422 -20.3422 -5.2117 -5.2117 -5.1441 -5.1441 -4.6982 -4.6982 -4.4987 -4.4987 -4.2868 -4.2868 -4.2480 -4.2480 -4.0621 -4.0621 -3.9528 -3.9528 1.0603 1.0603 1.1901 1.1901 1.6222 1.6222 1.9542 1.9542 2.0273 2.0273 2.2274 2.2274 2.7583 2.7583 2.9336 2.9336 3.3315 3.3315 3.5143 3.5143 3.5241 3.5241 3.6740 3.6740 4.1367 4.1367 4.4201 4.4201 5.4976 5.4976 5.6747 5.6747 8.7798 8.7798 9.1489 9.1489 9.7563 9.7563 9.9667 9.9667 11.1888 11.1888 k = 0.2519 0.4362-0.0000 ( 6123 PWs) bands (ev): -20.3436 -20.3436 -20.3424 -20.3424 -5.2121 -5.2121 -5.1470 -5.1470 -4.7006 -4.7006 -4.5154 -4.5154 -4.2834 -4.2834 -4.2439 -4.2439 -4.0583 -4.0583 -3.9550 -3.9550 1.0573 1.0573 1.1825 1.1825 1.6316 1.6316 1.9487 1.9487 2.0080 2.0080 2.2176 2.2176 2.7665 2.7665 2.9489 2.9489 3.3404 3.3404 3.5158 3.5158 3.5411 3.5411 3.6803 3.6803 4.2149 4.2149 4.4993 4.4993 5.4610 5.4610 5.6476 5.6476 8.8021 8.8021 9.1865 9.1865 9.7126 9.7126 9.9173 9.9173 11.0884 11.0884 k = 0.2444 0.4234-0.0000 ( 6121 PWs) bands (ev): -20.3438 -20.3438 -20.3426 -20.3426 -5.2123 -5.2123 -5.1504 -5.1504 -4.7036 -4.7036 -4.5327 -4.5327 -4.2797 -4.2797 -4.2397 -4.2397 -4.0534 -4.0534 -3.9582 -3.9582 1.0537 1.0537 1.1753 1.1753 1.6406 1.6406 1.9367 1.9367 1.9961 1.9961 2.2069 2.2069 2.7758 2.7758 2.9637 2.9637 3.3525 3.3525 3.5182 3.5182 3.5633 3.5633 3.6885 3.6885 4.2970 4.2970 4.5809 4.5809 5.4204 5.4204 5.6194 5.6194 8.8293 8.8293 9.2255 9.2255 9.6666 9.6666 9.8678 9.8678 10.9892 10.9892 k = 0.2370 0.4106-0.0000 ( 6133 PWs) bands (ev): -20.3440 -20.3440 -20.3428 -20.3428 -5.2124 -5.2124 -5.1544 -5.1544 -4.7071 -4.7071 -4.5505 -4.5505 -4.2759 -4.2759 -4.2357 -4.2357 -4.0475 -4.0475 -3.9621 -3.9621 1.0496 1.0496 1.1683 1.1683 1.6491 1.6491 1.9186 1.9186 1.9914 1.9914 2.1955 2.1955 2.7864 2.7864 2.9777 2.9777 3.3675 3.3675 3.5214 3.5214 3.5913 3.5913 3.6993 3.6993 4.3824 4.3824 4.6646 4.6646 5.3760 5.3760 5.5902 5.5902 8.8612 8.8612 9.2655 9.2655 9.6180 9.6180 9.8191 9.8191 10.8919 10.8919 k = 0.2296 0.3977-0.0000 ( 6117 PWs) bands (ev): -20.3443 -20.3443 -20.3430 -20.3430 -5.2123 -5.2123 -5.1590 -5.1590 -4.7111 -4.7111 -4.5683 -4.5683 -4.2718 -4.2718 -4.2318 -4.2318 -4.0411 -4.0411 -3.9666 -3.9666 1.0452 1.0452 1.1615 1.1615 1.6568 1.6568 1.8975 1.8975 1.9907 1.9907 2.1837 2.1837 2.7982 2.7982 2.9909 2.9909 3.3845 3.3845 3.5251 3.5251 3.6251 3.6251 3.7134 3.7134 4.4707 4.4707 4.7499 4.7499 5.3282 5.3282 5.5603 5.5603 8.8975 8.8975 9.3050 9.3050 9.5668 9.5668 9.7729 9.7729 10.7967 10.7967 k = 0.2222 0.3849-0.0000 ( 6119 PWs) bands (ev): -20.3445 -20.3445 -20.3433 -20.3433 -5.2121 -5.2121 -5.1642 -5.1642 -4.7158 -4.7158 -4.5860 -4.5860 -4.2676 -4.2676 -4.2281 -4.2281 -4.0343 -4.0343 -3.9713 -3.9713 1.0407 1.0407 1.1548 1.1548 1.6636 1.6636 1.8755 1.8755 1.9921 1.9921 2.1717 2.1717 2.8111 2.8111 3.0031 3.0031 3.4025 3.4025 3.5293 3.5293 3.6649 3.6649 3.7321 3.7321 4.5613 4.5613 4.8364 4.8364 5.2776 5.2776 5.5303 5.5303 8.9378 8.9378 9.3415 9.3415 9.5127 9.5127 9.7319 9.7319 10.7040 10.7040 k = 0.2148 0.3721-0.0000 ( 6117 PWs) bands (ev): -20.3448 -20.3448 -20.3435 -20.3435 -5.2120 -5.2120 -5.1700 -5.1700 -4.7210 -4.7210 -4.6032 -4.6032 -4.2632 -4.2632 -4.2246 -4.2246 -4.0281 -4.0281 -3.9756 -3.9756 1.0362 1.0362 1.1480 1.1480 1.6694 1.6694 1.8538 1.8538 1.9945 1.9945 2.1597 2.1597 2.8250 2.8250 3.0143 3.0143 3.4205 3.4205 3.5341 3.5341 3.7103 3.7103 3.7570 3.7570 4.6537 4.6537 4.9228 4.9228 5.2254 5.2254 5.5007 5.5007 8.9816 8.9816 9.3707 9.3707 9.4557 9.4557 9.7009 9.7009 10.6142 10.6142 k = 0.2074 0.3592-0.0000 ( 6111 PWs) bands (ev): -20.3451 -20.3451 -20.3438 -20.3438 -5.2123 -5.2123 -5.1761 -5.1761 -4.7267 -4.7267 -4.6199 -4.6199 -4.2587 -4.2587 -4.2214 -4.2214 -4.0237 -4.0237 -3.9780 -3.9780 1.0318 1.0318 1.1411 1.1411 1.6740 1.6740 1.8327 1.8327 1.9975 1.9975 2.1480 2.1480 2.8398 2.8398 3.0248 3.0248 3.4372 3.4372 3.5393 3.5393 3.7599 3.7599 3.7905 3.7905 4.7469 4.7469 5.0061 5.0061 5.1745 5.1745 5.4725 5.4725 9.0277 9.0277 9.3859 9.3859 9.3958 9.3958 9.6869 9.6869 10.5274 10.5274 k = 0.2000 0.3464-0.0000 ( 6099 PWs) bands (ev): -20.3454 -20.3454 -20.3441 -20.3441 -5.2137 -5.2137 -5.1818 -5.1818 -4.7329 -4.7329 -4.6358 -4.6358 -4.2541 -4.2541 -4.2185 -4.2185 -4.0229 -4.0229 -3.9769 -3.9769 1.0278 1.0278 1.1339 1.1339 1.6775 1.6775 1.8126 1.8126 2.0010 2.0010 2.1367 2.1367 2.8554 2.8554 3.0345 3.0345 3.4516 3.4516 3.5449 3.5449 3.8101 3.8101 3.8371 3.8371 4.8385 4.8385 5.0665 5.0665 5.1448 5.1448 5.4483 5.4483 9.0740 9.0740 9.3336 9.3336 9.3831 9.3831 9.6952 9.6952 10.4439 10.4439 k = 0.1926 0.3336-0.0000 ( 6107 PWs) bands (ev): -20.3457 -20.3457 -20.3444 -20.3444 -5.2171 -5.2171 -5.1861 -5.1861 -4.7394 -4.7394 -4.6509 -4.6509 -4.2493 -4.2493 -4.2158 -4.2158 -4.0262 -4.0262 -3.9718 -3.9718 1.0242 1.0242 1.1264 1.1264 1.6798 1.6798 1.7935 1.7935 2.0047 2.0047 2.1261 2.1261 2.8715 2.8715 3.0437 3.0437 3.4633 3.4633 3.5506 3.5506 3.8609 3.8609 3.8971 3.8971 4.9171 4.9171 5.0568 5.0568 5.1884 5.1884 5.4342 5.4342 9.1140 9.1140 9.2718 9.2718 9.3670 9.3670 9.7240 9.7240 10.3637 10.3637 k = 0.1852 0.3208-0.0000 ( 6109 PWs) bands (ev): -20.3461 -20.3461 -20.3447 -20.3447 -5.2236 -5.2236 -5.1881 -5.1881 -4.7461 -4.7461 -4.6653 -4.6653 -4.2445 -4.2445 -4.2134 -4.2134 -4.0324 -4.0324 -3.9638 -3.9638 1.0209 1.0209 1.1185 1.1185 1.6810 1.6810 1.7756 1.7756 2.0087 2.0087 2.1163 2.1163 2.8880 2.8880 3.0527 3.0527 3.4724 3.4724 3.5563 3.5563 3.9168 3.9168 3.9657 3.9657 4.9317 4.9317 5.0828 5.0828 5.2361 5.2361 5.4451 5.4451 9.1272 9.1272 9.2205 9.2205 9.3541 9.3541 9.7666 9.7666 10.2870 10.2870 k = 0.1778 0.3079-0.0000 ( 6109 PWs) bands (ev): -20.3464 -20.3464 -20.3450 -20.3450 -5.2330 -5.2330 -5.1880 -5.1880 -4.7527 -4.7527 -4.6790 -4.6790 -4.2396 -4.2396 -4.2112 -4.2112 -4.0404 -4.0404 -3.9541 -3.9541 1.0180 1.0180 1.1103 1.1103 1.6812 1.6812 1.7589 1.7589 2.0128 2.0128 2.1075 2.1075 2.9048 2.9048 3.0615 3.0615 3.4792 3.4792 3.5618 3.5618 3.9796 3.9796 4.0406 4.0406 4.8858 4.8858 5.1614 5.1614 5.2537 5.2537 5.4945 5.4945 9.0870 9.0870 9.1884 9.1884 9.3676 9.3676 9.8170 9.8170 10.2140 10.2140 k = 0.1704 0.2951-0.0000 ( 6097 PWs) bands (ev): -20.3468 -20.3468 -20.3453 -20.3453 -5.2445 -5.2445 -5.1863 -5.1863 -4.7592 -4.7592 -4.6922 -4.6922 -4.2346 -4.2346 -4.2092 -4.2092 -4.0492 -4.0492 -3.9436 -3.9436 1.0155 1.0155 1.1016 1.1016 1.6804 1.6804 1.7434 1.7434 2.0170 2.0170 2.0998 2.0998 2.9217 2.9217 3.0704 3.0704 3.4841 3.4841 3.5669 3.5669 4.0492 4.0492 4.1208 4.1208 4.8265 4.8265 5.2124 5.2124 5.2857 5.2857 5.5711 5.5711 9.0190 9.0190 9.1486 9.1486 9.4113 9.4113 9.8715 9.8715 10.1450 10.1450 k = 0.1630 0.2823-0.0000 ( 6093 PWs) bands (ev): -20.3471 -20.3471 -20.3457 -20.3457 -5.2576 -5.2576 -5.1836 -5.1836 -4.7654 -4.7654 -4.7049 -4.7049 -4.2295 -4.2295 -4.2075 -4.2075 -4.0585 -4.0585 -3.9326 -3.9326 1.0133 1.0133 1.0926 1.0926 1.6788 1.6788 1.7292 1.7292 2.0214 2.0214 2.0931 2.0931 2.9386 2.9386 3.0795 3.0795 3.4875 3.4875 3.5716 3.5716 4.1253 4.1253 4.2058 4.2058 4.7638 4.7638 5.1983 5.1983 5.3750 5.3750 5.6596 5.6596 8.9427 8.9427 9.0966 9.0966 9.4718 9.4718 9.9265 9.9265 10.0815 10.0815 k = 0.1556 0.2694-0.0000 ( 6101 PWs) bands (ev): -20.3475 -20.3475 -20.3460 -20.3460 -5.2719 -5.2719 -5.1803 -5.1803 -4.7712 -4.7712 -4.7173 -4.7173 -4.2245 -4.2245 -4.2060 -4.2060 -4.0679 -4.0679 -3.9214 -3.9214 1.0113 1.0113 1.0833 1.0833 1.6765 1.6765 1.7163 1.7163 2.0258 2.0258 2.0875 2.0875 2.9555 2.9555 3.0890 3.0890 3.4897 3.4897 3.5760 3.5760 4.2069 4.2069 4.2951 4.2951 4.7003 4.7003 5.1713 5.1713 5.4741 5.4741 5.7530 5.7530 8.8625 8.8625 9.0368 9.0368 9.5402 9.5402 9.9700 9.9700 10.0345 10.0345 k = 0.1481 0.2566-0.0000 ( 6109 PWs) bands (ev): -20.3478 -20.3478 -20.3464 -20.3464 -5.2870 -5.2870 -5.1763 -5.1763 -4.7764 -4.7764 -4.7294 -4.7294 -4.2194 -4.2194 -4.2047 -4.2047 -4.0773 -4.0773 -3.9102 -3.9102 1.0095 1.0095 1.0737 1.0737 1.6738 1.6738 1.7047 1.7047 2.0302 2.0302 2.0830 2.0830 2.9724 2.9724 3.0990 3.0990 3.4911 3.4911 3.5800 3.5800 4.2927 4.2927 4.3880 4.3880 4.6381 4.6381 5.1411 5.1411 5.5750 5.5750 5.8484 5.8484 8.7799 8.7799 8.9715 8.9715 9.6121 9.6121 9.9473 9.9473 10.0588 10.0588 k = 0.1407 0.2438-0.0000 ( 6105 PWs) bands (ev): -20.3482 -20.3482 -20.3467 -20.3467 -5.3028 -5.3028 -5.1719 -5.1719 -4.7813 -4.7813 -4.7413 -4.7413 -4.2143 -4.2143 -4.2035 -4.2035 -4.0865 -4.0865 -3.8991 -3.8991 1.0079 1.0079 1.0639 1.0639 1.6706 1.6706 1.6944 1.6944 2.0345 2.0345 2.0797 2.0797 2.9892 2.9892 3.1095 3.1095 3.4918 3.4918 3.5836 3.5836 4.3782 4.3782 4.4822 4.4822 4.5838 4.5838 5.1101 5.1101 5.6762 5.6762 5.9443 5.9443 8.6956 8.6956 8.9017 8.9017 9.6814 9.6814 9.9047 9.9047 10.1115 10.1115 k = 0.1333 0.2309-0.0000 ( 6105 PWs) bands (ev): -20.3485 -20.3485 -20.3470 -20.3470 -5.3189 -5.3189 -5.1671 -5.1671 -4.7858 -4.7858 -4.7530 -4.7530 -4.2093 -4.2093 -4.2026 -4.2026 -4.0954 -4.0954 -3.8882 -3.8882 1.0062 1.0062 1.0539 1.0539 1.6673 1.6673 1.6853 1.6853 2.0387 2.0387 2.0774 2.0774 3.0059 3.0059 3.1206 3.1206 3.4920 3.4920 3.5870 3.5870 4.4345 4.4345 4.5452 4.5452 4.5979 4.5979 5.0793 5.0793 5.7771 5.7771 6.0398 6.0398 8.6099 8.6099 8.8277 8.8277 9.7302 9.7302 9.8861 9.8861 10.1652 10.1652 k = 0.1259 0.2181-0.0000 ( 6105 PWs) bands (ev): -20.3489 -20.3489 -20.3474 -20.3474 -5.3353 -5.3353 -5.1619 -5.1619 -4.7905 -4.7905 -4.7639 -4.7639 -4.2045 -4.2045 -4.2017 -4.2017 -4.1038 -4.1038 -3.8775 -3.8775 1.0045 1.0045 1.0439 1.0439 1.6639 1.6639 1.6774 1.6774 2.0424 2.0424 2.0764 2.0764 3.0225 3.0225 3.1322 3.1322 3.4917 3.4917 3.5901 3.5901 4.4072 4.4072 4.6159 4.6159 4.6950 4.6950 5.0499 5.0499 5.8771 5.8771 6.1341 6.1341 8.5232 8.5232 8.7496 8.7496 9.7276 9.7276 9.9239 9.9239 10.2172 10.2172 k = 0.1185 0.2053-0.0000 ( 6097 PWs) bands (ev): -20.3492 -20.3492 -20.3477 -20.3477 -5.3518 -5.3518 -5.1563 -5.1563 -4.7961 -4.7961 -4.7735 -4.7735 -4.2018 -4.2018 -4.1990 -4.1990 -4.1118 -4.1118 -3.8673 -3.8673 1.0028 1.0028 1.0340 1.0340 1.6604 1.6604 1.6708 1.6708 2.0455 2.0455 2.0766 2.0766 3.0393 3.0393 3.1442 3.1442 3.4913 3.4913 3.5929 3.5929 4.3508 4.3508 4.7140 4.7140 4.7983 4.7983 5.0246 5.0246 5.9758 5.9758 6.2266 6.2266 8.4357 8.4357 8.6675 8.6675 9.6933 9.6933 9.9985 9.9985 10.2662 10.2662 k = 0.1111 0.1925-0.0000 ( 6095 PWs) bands (ev): -20.3496 -20.3496 -20.3480 -20.3480 -5.3680 -5.3680 -5.1504 -5.1504 -4.8038 -4.8038 -4.7805 -4.7805 -4.2013 -4.2013 -4.1943 -4.1943 -4.1192 -4.1192 -3.8574 -3.8574 1.0010 1.0010 1.0241 1.0241 1.6566 1.6566 1.6658 1.6658 2.0479 2.0479 2.0781 2.0781 3.0562 3.0562 3.1566 3.1566 3.4906 3.4906 3.5954 3.5954 4.2901 4.2901 4.8151 4.8151 4.8973 4.8973 5.0132 5.0132 6.0727 6.0727 6.3168 6.3168 8.3475 8.3475 8.5812 8.5812 9.6517 9.6517 10.0854 10.0854 10.3117 10.3117 k = 0.1037 0.1796-0.0000 ( 6095 PWs) bands (ev): -20.3499 -20.3499 -20.3483 -20.3483 -5.3840 -5.3840 -5.1442 -5.1442 -4.8137 -4.8137 -4.7849 -4.7849 -4.2011 -4.2011 -4.1897 -4.1897 -4.1260 -4.1260 -3.8479 -3.8479 0.9990 0.9990 1.0145 1.0145 1.6523 1.6523 1.6625 1.6625 2.0496 2.0496 2.0808 2.0808 3.0735 3.0735 3.1691 3.1691 3.4898 3.4898 3.5977 3.5977 4.2288 4.2288 4.8874 4.8874 4.9769 4.9769 5.0587 5.0587 6.1673 6.1673 6.4041 6.4041 8.2588 8.2588 8.4909 8.4909 9.6095 9.6095 10.1774 10.1774 10.3533 10.3533 k = 0.0963 0.1668-0.0000 ( 6103 PWs) bands (ev): -20.3502 -20.3502 -20.3486 -20.3486 -5.3994 -5.3994 -5.1377 -5.1377 -4.8252 -4.8252 -4.7875 -4.7875 -4.2012 -4.2012 -4.1852 -4.1852 -4.1322 -4.1322 -3.8390 -3.8390 0.9969 0.9969 1.0051 1.0051 1.6479 1.6479 1.6606 1.6606 2.0505 2.0505 2.0845 2.0845 3.0911 3.0911 3.1817 3.1817 3.4891 3.4891 3.5997 3.5997 4.1682 4.1682 4.8912 4.8912 5.0770 5.0770 5.1592 5.1592 6.2592 6.2592 6.4880 6.4880 8.1694 8.1694 8.3964 8.3964 9.5684 9.5684 10.2725 10.2725 10.3907 10.3907 k = 0.0889 0.1540-0.0000 ( 6101 PWs) bands (ev): -20.3505 -20.3505 -20.3489 -20.3489 -5.4142 -5.4142 -5.1310 -5.1310 -4.8373 -4.8373 -4.7890 -4.7890 -4.2014 -4.2014 -4.1809 -4.1809 -4.1377 -4.1377 -3.8306 -3.8306 0.9947 0.9947 0.9961 0.9961 1.6436 1.6436 1.6597 1.6597 2.0511 2.0511 2.0887 2.0887 3.1094 3.1094 3.1941 3.1941 3.4883 3.4883 3.6014 3.6014 4.1089 4.1089 4.8725 4.8725 5.1935 5.1935 5.2724 5.2724 6.3476 6.3476 6.5680 6.5680 8.0796 8.0796 8.2979 8.2979 9.5293 9.5293 10.3692 10.3692 10.4237 10.4237 k = 0.0815 0.1411-0.0000 ( 6091 PWs) bands (ev): -20.3508 -20.3508 -20.3491 -20.3491 -5.4283 -5.4283 -5.1240 -5.1240 -4.8497 -4.8497 -4.7899 -4.7899 -4.2018 -4.2018 -4.1768 -4.1768 -4.1425 -4.1425 -3.8227 -3.8227 0.9874 0.9874 0.9926 0.9926 1.6396 1.6396 1.6596 1.6596 2.0513 2.0513 2.0933 2.0933 3.1283 3.1283 3.2062 3.2062 3.4877 3.4877 3.6027 3.6027 4.0512 4.0512 4.8500 4.8500 5.3155 5.3155 5.3895 5.3895 6.4320 6.4320 6.6436 6.6436 7.9891 7.9891 8.1953 8.1953 9.4925 9.4925 10.4522 10.4522 10.4669 10.4669 k = 0.0741 0.1283-0.0000 ( 6089 PWs) bands (ev): -20.3510 -20.3510 -20.3494 -20.3494 -5.4415 -5.4415 -5.1168 -5.1168 -4.8621 -4.8621 -4.7904 -4.7904 -4.2024 -4.2024 -4.1730 -4.1730 -4.1467 -4.1467 -3.8155 -3.8155 0.9793 0.9793 0.9903 0.9903 1.6360 1.6360 1.6600 1.6600 2.0514 2.0514 2.0981 2.0981 3.1480 3.1480 3.2178 3.2178 3.4872 3.4872 3.6036 3.6036 3.9954 3.9954 4.8272 4.8272 5.4405 5.4405 5.5088 5.5088 6.5116 6.5116 6.7144 6.7144 7.8980 7.8980 8.0888 8.0888 9.4583 9.4583 10.4767 10.4767 10.5638 10.5638 k = 0.0667 0.1155-0.0000 ( 6085 PWs) bands (ev): -20.3513 -20.3513 -20.3496 -20.3496 -5.4538 -5.4538 -5.1094 -5.1094 -4.8745 -4.8745 -4.7906 -4.7906 -4.2031 -4.2031 -4.1694 -4.1694 -4.1503 -4.1503 -3.8089 -3.8089 0.9717 0.9717 0.9880 0.9880 1.6327 1.6327 1.6609 1.6609 2.0514 2.0514 2.1028 2.1028 3.1685 3.1685 3.2287 3.2287 3.4868 3.4868 3.6040 3.6040 3.9418 3.9418 4.8054 4.8054 5.5673 5.5673 5.6296 5.6296 6.5858 6.5858 6.7799 6.7799 7.8064 7.8064 7.9786 7.9786 9.4267 9.4267 10.4971 10.4971 10.6580 10.6580 k = 0.0593 0.1026-0.0000 ( 6083 PWs) bands (ev): -20.3515 -20.3515 -20.3498 -20.3498 -5.4650 -5.4650 -5.1020 -5.1020 -4.8867 -4.8867 -4.7906 -4.7906 -4.2039 -4.2039 -4.1661 -4.1661 -4.1533 -4.1533 -3.8029 -3.8029 0.9648 0.9648 0.9858 0.9858 1.6299 1.6299 1.6621 1.6621 2.0514 2.0514 2.1073 2.1073 3.1898 3.1898 3.2388 3.2388 3.4867 3.4867 3.6036 3.6036 3.8910 3.8910 4.7851 4.7851 5.6949 5.6949 5.7517 5.7517 6.6538 6.6538 6.8398 6.8398 7.7142 7.7142 7.8651 7.8651 9.3979 9.3979 10.5136 10.5136 10.7242 10.7242 k = 0.0519 0.0898-0.0000 ( 6093 PWs) bands (ev): -20.3517 -20.3517 -20.3500 -20.3500 -5.4750 -5.4750 -5.0945 -5.0945 -4.8984 -4.8984 -4.7905 -4.7905 -4.2048 -4.2048 -4.1632 -4.1632 -4.1558 -4.1558 -3.7976 -3.7976 0.9585 0.9585 0.9838 0.9838 1.6274 1.6274 1.6636 1.6636 2.0513 2.0513 2.1115 2.1115 3.2119 3.2119 3.2479 3.2479 3.4867 3.4867 3.6023 3.6023 3.8433 3.8433 4.7666 4.7666 5.8217 5.8217 5.8751 5.8751 6.7150 6.7150 6.8935 6.8935 7.6218 7.6218 7.7487 7.7487 9.3721 9.3721 10.5266 10.5266 10.6941 10.6941 k = 0.0444 0.0770-0.0000 ( 6105 PWs) bands (ev): -20.3519 -20.3519 -20.3502 -20.3502 -5.4839 -5.4839 -5.0871 -5.0871 -4.9096 -4.9096 -4.7904 -4.7904 -4.2056 -4.2056 -4.1606 -4.1606 -4.1578 -4.1578 -3.7929 -3.7929 0.9530 0.9530 0.9818 0.9818 1.6253 1.6253 1.6651 1.6651 2.0512 2.0512 2.1153 2.1153 3.2346 3.2346 3.2560 3.2560 3.4868 3.4868 3.5996 3.5996 3.7997 3.7997 4.7501 4.7501 5.9457 5.9457 6.0005 6.0005 6.7685 6.7685 6.9404 6.9404 7.5296 7.5296 7.6303 7.6303 9.3493 9.3493 10.5364 10.5364 10.6507 10.6507 k = 0.0370 0.0642-0.0000 ( 6093 PWs) bands (ev): -20.3520 -20.3520 -20.3503 -20.3503 -5.4915 -5.4915 -5.0799 -5.0799 -4.9201 -4.9201 -4.7901 -4.7901 -4.2064 -4.2064 -4.1594 -4.1594 -4.1583 -4.1583 -3.7890 -3.7890 0.9483 0.9483 0.9801 0.9801 1.6235 1.6235 1.6666 1.6666 2.0510 2.0510 2.1187 2.1187 3.2575 3.2575 3.2631 3.2631 3.4870 3.4870 3.5948 3.5948 3.7611 3.7611 4.7358 4.7358 6.0646 6.0646 6.1282 6.1282 6.8137 6.8137 6.9793 6.9793 7.4380 7.4380 7.5116 7.5116 9.3298 9.3298 10.5427 10.5427 10.6104 10.6104 k = 0.0296 0.0513-0.0000 ( 6101 PWs) bands (ev): -20.3522 -20.3522 -20.3504 -20.3504 -5.4977 -5.4977 -5.0732 -5.0732 -4.9296 -4.9296 -4.7899 -4.7899 -4.2071 -4.2071 -4.1606 -4.1606 -4.1565 -4.1565 -3.7857 -3.7857 0.9443 0.9443 0.9786 0.9786 1.6221 1.6221 1.6680 1.6680 2.0509 2.0509 2.1216 2.1216 3.2687 3.2687 3.2804 3.2804 3.4874 3.4874 3.5873 3.5873 3.7291 3.7291 4.7240 4.7240 6.1760 6.1760 6.2576 6.2576 6.8500 6.8500 7.0085 7.0085 7.3455 7.3455 7.3982 7.3982 9.3135 9.3135 10.5428 10.5428 10.5790 10.5790 k = 0.0222 0.0385-0.0000 ( 6097 PWs) bands (ev): -20.3523 -20.3523 -20.3505 -20.3505 -5.5027 -5.5027 -5.0672 -5.0672 -4.9377 -4.9377 -4.7897 -4.7897 -4.2077 -4.2077 -4.1615 -4.1615 -4.1550 -4.1550 -3.7832 -3.7832 0.9413 0.9413 0.9775 0.9775 1.6210 1.6210 1.6691 1.6691 2.0508 2.0508 2.1239 2.1239 3.2732 3.2732 3.3019 3.3019 3.4877 3.4877 3.5767 3.5767 3.7050 3.7050 4.7146 4.7146 6.2770 6.2770 6.3870 6.3870 6.8758 6.8758 7.0250 7.0250 7.2440 7.2440 7.3063 7.3063 9.3008 9.3008 10.5288 10.5288 10.5667 10.5667 k = 0.0148 0.0257-0.0000 ( 6091 PWs) bands (ev): -20.3523 -20.3523 -20.3506 -20.3506 -5.5062 -5.5062 -5.0625 -5.0625 -4.9440 -4.9440 -4.7896 -4.7896 -4.2081 -4.2081 -4.1621 -4.1621 -4.1540 -4.1540 -3.7814 -3.7814 0.9390 0.9390 0.9766 0.9766 1.6202 1.6202 1.6700 1.6700 2.0508 2.0508 2.1256 2.1256 3.2765 3.2765 3.3204 3.3204 3.4879 3.4879 3.5645 3.5645 3.6891 3.6891 4.7079 4.7079 6.3621 6.3621 6.5133 6.5133 6.8873 6.8873 7.0258 7.0258 7.1377 7.1377 7.2461 7.2461 9.2915 9.2915 10.5099 10.5099 10.5656 10.5656 k = 0.0074 0.0128-0.0000 ( 6091 PWs) bands (ev): -20.3524 -20.3524 -20.3506 -20.3506 -5.5083 -5.5083 -5.0593 -5.0593 -4.9481 -4.9481 -4.7895 -4.7895 -4.2084 -4.2084 -4.1625 -4.1625 -4.1533 -4.1533 -3.7803 -3.7803 0.9377 0.9377 0.9761 0.9761 1.6197 1.6197 1.6705 1.6705 2.0507 2.0507 2.1266 2.1266 3.2784 3.2784 3.3335 3.3335 3.4881 3.4881 3.5543 3.5543 3.6806 3.6806 4.7038 4.7038 6.4220 6.4220 6.6284 6.6284 6.8733 6.8733 7.0151 7.0151 7.0532 7.0532 7.2150 7.2150 9.2860 9.2860 10.4971 10.4971 10.5661 10.5661 k = 0.0000 0.0000 0.0000 ( 6095 PWs) bands (ev): -20.3524 -20.3524 -20.3507 -20.3507 -5.5090 -5.5090 -5.0582 -5.0582 -4.9495 -4.9495 -4.7894 -4.7894 -4.2085 -4.2085 -4.1626 -4.1626 -4.1531 -4.1531 -3.7799 -3.7799 0.9372 0.9372 0.9759 0.9759 1.6196 1.6196 1.6707 1.6707 2.0507 2.0507 2.1269 2.1269 3.2791 3.2791 3.3383 3.3383 3.4882 3.4882 3.5502 3.5502 3.6779 3.6779 4.7024 4.7024 6.4442 6.4442 6.6915 6.6915 6.8455 6.8455 7.0117 7.0117 7.0196 7.0196 7.2062 7.2062 9.2841 9.2841 10.4926 10.4926 10.5664 10.5664 k = 0.0000 0.0000 0.0000 ( 6095 PWs) bands (ev): -20.3524 -20.3524 -20.3507 -20.3507 -5.5090 -5.5090 -5.0582 -5.0582 -4.9495 -4.9495 -4.7894 -4.7894 -4.2085 -4.2085 -4.1626 -4.1626 -4.1531 -4.1531 -3.7799 -3.7799 0.9372 0.9372 0.9759 0.9759 1.6196 1.6196 1.6707 1.6707 2.0507 2.0507 2.1269 2.1269 3.2791 3.2791 3.3383 3.3383 3.4882 3.4882 3.5502 3.5502 3.6779 3.6779 4.7024 4.7024 6.4442 6.4442 6.6915 6.6915 6.8455 6.8455 7.0117 7.0117 7.0196 7.0196 7.2062 7.2062 9.2841 9.2841 10.4926 10.4926 10.5664 10.5664 k = 0.0000 0.0000 0.0141 ( 6095 PWs) bands (ev): -20.3524 -20.3524 -20.3507 -20.3507 -5.5084 -5.5084 -5.0620 -5.0620 -4.9467 -4.9467 -4.7895 -4.7895 -4.2073 -4.2073 -4.1626 -4.1626 -4.1531 -4.1531 -3.7808 -3.7808 0.9373 0.9373 0.9758 0.9758 1.6197 1.6197 1.6706 1.6706 2.0508 2.0508 2.1267 2.1267 3.2792 3.2792 3.3382 3.3382 3.4882 3.4882 3.5489 3.5489 3.6812 3.6812 4.6994 4.6994 6.4457 6.4457 6.6913 6.6913 6.8458 6.8458 7.0113 7.0113 7.0200 7.0200 7.2057 7.2057 9.2860 9.2860 10.4939 10.4939 10.5617 10.5617 k = 0.0000 0.0000 0.0282 ( 6077 PWs) bands (ev): -20.3524 -20.3524 -20.3507 -20.3507 -5.5064 -5.5064 -5.0721 -5.0721 -4.9392 -4.9392 -4.7898 -4.7898 -4.2036 -4.2036 -4.1625 -4.1625 -4.1532 -4.1532 -3.7835 -3.7835 0.9376 0.9376 0.9755 0.9755 1.6201 1.6201 1.6702 1.6702 2.0512 2.0512 2.1259 2.1259 3.2796 3.2796 3.3377 3.3377 3.4882 3.4882 3.5454 3.5454 3.6906 3.6906 4.6903 4.6903 6.4503 6.4503 6.6910 6.6910 6.8469 6.8469 7.0100 7.0100 7.0213 7.0213 7.2042 7.2042 9.2915 9.2915 10.4975 10.4975 10.5479 10.5479 k = 0.0000 0.0000 0.0423 ( 6077 PWs) bands (ev): -20.3524 -20.3524 -20.3507 -20.3507 -5.5031 -5.5031 -5.0868 -5.0868 -4.9290 -4.9290 -4.7903 -4.7903 -4.1977 -4.1977 -4.1624 -4.1624 -4.1533 -4.1533 -3.7880 -3.7880 0.9381 0.9381 0.9751 0.9751 1.6207 1.6207 1.6696 1.6696 2.0519 2.0519 2.1247 2.1247 3.2803 3.2803 3.3370 3.3370 3.4882 3.4882 3.5404 3.5404 3.7054 3.7054 4.6754 4.6754 6.4577 6.4577 6.6904 6.6904 6.8487 6.8487 7.0078 7.0078 7.0233 7.0233 7.2018 7.2018 9.3009 9.3009 10.5016 10.5016 10.5272 10.5272 k = 0.0000 0.0000 0.0564 ( 6089 PWs) bands (ev): -20.3523 -20.3523 -20.3507 -20.3507 -5.4985 -5.4985 -5.1042 -5.1042 -4.9176 -4.9176 -4.7910 -4.7910 -4.1894 -4.1894 -4.1622 -4.1622 -4.1535 -4.1535 -3.7943 -3.7943 0.9387 0.9387 0.9744 0.9744 1.6215 1.6215 1.6688 1.6688 2.0529 2.0529 2.1230 2.1230 3.2813 3.2813 3.3360 3.3360 3.4883 3.4883 3.5347 3.5347 3.7247 3.7247 4.6551 4.6551 6.4676 6.4676 6.6895 6.6895 6.8513 6.8513 7.0048 7.0048 7.0262 7.0262 7.1985 7.1985 9.3140 9.3140 10.4867 10.4867 10.5199 10.5199 k = 0.0000 0.0000 0.0705 ( 6101 PWs) bands (ev): -20.3523 -20.3523 -20.3508 -20.3508 -5.4927 -5.4927 -5.1234 -5.1234 -4.9061 -4.9061 -4.7919 -4.7919 -4.1790 -4.1790 -4.1620 -4.1620 -4.1537 -4.1537 -3.8023 -3.8023 0.9395 0.9395 0.9736 0.9736 1.6226 1.6226 1.6677 1.6677 2.0541 2.0541 2.1209 2.1209 3.2825 3.2825 3.3347 3.3347 3.4883 3.4883 3.5290 3.5290 3.7477 3.7477 4.6297 4.6297 6.4796 6.4796 6.6884 6.6884 6.8545 6.8545 7.0010 7.0010 7.0299 7.0299 7.1943 7.1943 9.3311 9.3311 10.4491 10.4491 10.5302 10.5302 k = 0.0000 0.0000 0.0846 ( 6089 PWs) bands (ev): -20.3522 -20.3522 -20.3508 -20.3508 -5.4855 -5.4855 -5.1437 -5.1437 -4.8948 -4.8948 -4.7931 -4.7931 -4.1666 -4.1666 -4.1618 -4.1618 -4.1539 -4.1539 -3.8119 -3.8119 0.9405 0.9405 0.9726 0.9726 1.6238 1.6238 1.6664 1.6664 2.0556 2.0556 2.1184 2.1184 3.2840 3.2840 3.3332 3.3332 3.4884 3.4884 3.5236 3.5236 3.7740 3.7740 4.5998 4.5998 6.4933 6.4933 6.6868 6.6868 6.8584 6.8584 6.9965 6.9965 7.0343 7.0343 7.1892 7.1892 9.3521 9.3521 10.4032 10.4032 10.5449 10.5449 k = 0.0000 0.0000 0.0987 ( 6089 PWs) bands (ev): -20.3522 -20.3522 -20.3509 -20.3509 -5.4772 -5.4772 -5.1648 -5.1648 -4.8840 -4.8840 -4.7944 -4.7944 -4.1615 -4.1615 -4.1542 -4.1542 -4.1525 -4.1525 -3.8231 -3.8231 0.9416 0.9416 0.9715 0.9715 1.6253 1.6253 1.6649 1.6649 2.0574 2.0574 2.1156 2.1156 3.2856 3.2856 3.3315 3.3315 3.4886 3.4886 3.5185 3.5185 3.8034 3.8034 4.5658 4.5658 6.5081 6.5081 6.6848 6.6848 6.8629 6.8629 6.9912 6.9912 7.0394 7.0394 7.1834 7.1834 9.3772 9.3772 10.3511 10.3511 10.5626 10.5626 k = 0.0000 0.0000 0.1128 ( 6082 PWs) bands (ev): -20.3521 -20.3521 -20.3509 -20.3509 -5.4676 -5.4676 -5.1862 -5.1862 -4.8740 -4.8740 -4.7960 -4.7960 -4.1612 -4.1612 -4.1545 -4.1545 -4.1367 -4.1367 -3.8358 -3.8358 0.9429 0.9429 0.9702 0.9702 1.6270 1.6270 1.6632 1.6632 2.0594 2.0594 2.1125 2.1125 3.2876 3.2876 3.3295 3.3295 3.4887 3.4887 3.5140 3.5140 3.8355 3.8355 4.5284 4.5284 6.5238 6.5238 6.6824 6.6824 6.8680 6.8680 6.9854 6.9854 7.0452 7.0452 7.1769 7.1769 9.4064 9.4064 10.2943 10.2943 10.5829 10.5829 k = 0.0000 0.0000 0.1269 ( 6070 PWs) bands (ev): -20.3521 -20.3521 -20.3510 -20.3510 -5.4568 -5.4568 -5.2078 -5.2078 -4.8647 -4.8647 -4.7978 -4.7978 -4.1609 -4.1609 -4.1548 -4.1548 -4.1195 -4.1195 -3.8500 -3.8500 0.9443 0.9443 0.9688 0.9688 1.6288 1.6288 1.6613 1.6613 2.0616 2.0616 2.1091 2.1091 3.2897 3.2897 3.3273 3.3273 3.4890 3.4890 3.5100 3.5100 3.8702 3.8702 4.4881 4.4881 6.5397 6.5397 6.6793 6.6793 6.8737 6.8737 6.9790 6.9790 7.0516 7.0516 7.1698 7.1698 9.4398 9.4398 10.2337 10.2337 10.6058 10.6058 k = 0.0000 0.0000 0.1410 ( 6076 PWs) bands (ev): -20.3520 -20.3520 -20.3510 -20.3510 -5.4448 -5.4448 -5.2294 -5.2294 -4.8562 -4.8562 -4.7999 -4.7999 -4.1605 -4.1605 -4.1552 -4.1552 -4.1011 -4.1011 -3.8654 -3.8654 0.9458 0.9458 0.9673 0.9673 1.6308 1.6308 1.6592 1.6592 2.0641 2.0641 2.1056 2.1056 3.2920 3.2920 3.3249 3.3249 3.4893 3.4893 3.5065 3.5065 3.9072 3.9072 4.4454 4.4454 6.5555 6.5555 6.6756 6.6756 6.8799 6.8799 6.9721 6.9721 7.0586 7.0586 7.1621 7.1621 9.4774 9.4774 10.1705 10.1705 10.6312 10.6312 k = 0.0000 0.0000 0.1551 ( 6082 PWs) bands (ev): -20.3519 -20.3519 -20.3511 -20.3511 -5.4317 -5.4317 -5.2508 -5.2508 -4.8485 -4.8485 -4.8023 -4.8023 -4.1601 -4.1601 -4.1556 -4.1556 -4.0818 -4.0818 -3.8821 -3.8821 0.9474 0.9474 0.9657 0.9657 1.6330 1.6330 1.6571 1.6571 2.0668 2.0668 2.1019 2.1019 3.2944 3.2944 3.3224 3.3224 3.4897 3.4897 3.5034 3.5034 3.9464 3.9464 4.4009 4.4009 6.5710 6.5710 6.6712 6.6712 6.8866 6.8866 6.9647 6.9647 7.0662 7.0662 7.1539 7.1539 9.5190 9.5190 10.1055 10.1055 10.6589 10.6589 k = 0.0000 0.0000 0.1692 ( 6070 PWs) bands (ev): -20.3519 -20.3519 -20.3512 -20.3512 -5.4175 -5.4175 -5.2719 -5.2719 -4.8414 -4.8414 -4.8050 -4.8050 -4.1597 -4.1597 -4.1560 -4.1560 -4.0618 -4.0618 -3.8998 -3.8998 0.9491 0.9491 0.9639 0.9639 1.6352 1.6352 1.6548 1.6548 2.0697 2.0697 2.0982 2.0982 3.2970 3.2970 3.3197 3.3197 3.4902 3.4902 3.5008 3.5008 3.9876 3.9876 4.3551 4.3551 6.5857 6.5857 6.6659 6.6659 6.8936 6.8936 6.9571 6.9571 7.0742 7.0742 7.1454 7.1454 9.5647 9.5647 10.0396 10.0396 10.6888 10.6888 k = 0.0000 0.0000 0.1833 ( 6040 PWs) bands (ev): -20.3518 -20.3518 -20.3513 -20.3513 -5.4023 -5.4023 -5.2925 -5.2925 -4.8350 -4.8350 -4.8080 -4.8080 -4.1592 -4.1592 -4.1565 -4.1565 -4.0412 -4.0412 -3.9185 -3.9185 0.9509 0.9509 0.9621 0.9621 1.6376 1.6376 1.6524 1.6524 2.0728 2.0728 2.0944 2.0944 3.2998 3.2998 3.3170 3.3170 3.4908 3.4908 3.4985 3.4985 4.0304 4.0304 4.3083 4.3083 6.5996 6.5996 6.6597 6.6597 6.9011 6.9011 6.9492 6.9492 7.0826 7.0826 7.1365 7.1365 9.6142 9.6142 9.9738 9.9738 10.7208 10.7208 k = 0.0000 0.0000 0.1974 ( 6046 PWs) bands (ev): -20.3517 -20.3517 -20.3513 -20.3513 -5.3861 -5.3861 -5.3127 -5.3127 -4.8293 -4.8293 -4.8114 -4.8114 -4.1588 -4.1588 -4.1569 -4.1569 -4.0203 -4.0203 -3.9379 -3.9379 0.9528 0.9528 0.9603 0.9603 1.6400 1.6400 1.6500 1.6500 2.0761 2.0761 2.0906 2.0906 3.3026 3.3026 3.3141 3.3141 3.4916 3.4916 3.4966 3.4966 4.0747 4.0747 4.2610 4.2610 6.6125 6.6125 6.6525 6.6525 6.9088 6.9088 6.9411 6.9411 7.0912 7.0912 7.1275 7.1275 9.6673 9.6673 9.9086 9.9086 10.7546 10.7546 k = 0.0000 0.0000 0.2115 ( 6040 PWs) bands (ev): -20.3516 -20.3516 -20.3514 -20.3514 -5.3690 -5.3690 -5.3322 -5.3322 -4.8241 -4.8241 -4.8152 -4.8152 -4.1583 -4.1583 -4.1574 -4.1574 -3.9994 -3.9994 -3.9580 -3.9580 0.9546 0.9546 0.9584 0.9584 1.6425 1.6425 1.6475 1.6475 2.0796 2.0796 2.0868 2.0868 3.3054 3.3054 3.3112 3.3112 3.4925 3.4925 3.4950 3.4950 4.1202 4.1202 4.2137 4.2137 6.6242 6.6242 6.6443 6.6443 6.9167 6.9167 6.9330 6.9330 7.1002 7.1002 7.1184 7.1184 9.7237 9.7237 9.8448 9.8448 10.7900 10.7900 k = 0.0000 0.0000 0.2256 ( 6028 PWs) bands (ev): -20.3516 -20.3516 -20.3514 -20.3514 -5.3510 -5.3510 -5.3509 -5.3509 -4.8194 -4.8194 -4.8193 -4.8193 -4.1579 -4.1579 -4.1578 -4.1578 -3.9786 -3.9786 -3.9785 -3.9785 0.9565 0.9565 0.9565 0.9565 1.6450 1.6450 1.6450 1.6450 2.0831 2.0831 2.0832 2.0832 3.3083 3.3083 3.3083 3.3083 3.4936 3.4936 3.4936 3.4936 4.1667 4.1667 4.1667 4.1667 6.6348 6.6348 6.6348 6.6348 6.9248 6.9248 6.9248 6.9248 7.1092 7.1092 7.1092 7.1092 9.7830 9.7830 9.7831 9.7831 10.8269 10.8269 k = 0.0000 0.0000 0.2256 ( 6028 PWs) bands (ev): -20.3516 -20.3516 -20.3514 -20.3514 -5.3510 -5.3510 -5.3509 -5.3509 -4.8194 -4.8194 -4.8193 -4.8193 -4.1579 -4.1579 -4.1578 -4.1578 -3.9786 -3.9786 -3.9785 -3.9785 0.9565 0.9565 0.9565 0.9565 1.6450 1.6450 1.6450 1.6450 2.0831 2.0831 2.0832 2.0832 3.3083 3.3083 3.3083 3.3083 3.4936 3.4936 3.4936 3.4936 4.1667 4.1667 4.1667 4.1667 6.6348 6.6348 6.6348 6.6348 6.9248 6.9248 6.9248 6.9248 7.1092 7.1092 7.1092 7.1092 9.7830 9.7830 9.7831 9.7831 10.8269 10.8269 k = 0.0128 0.0074 0.2256 ( 6028 PWs) bands (ev): -20.3516 -20.3516 -20.3514 -20.3514 -5.3506 -5.3506 -5.3505 -5.3505 -4.8194 -4.8194 -4.8193 -4.8193 -4.1582 -4.1582 -4.1580 -4.1580 -3.9785 -3.9785 -3.9784 -3.9784 0.9568 0.9568 0.9568 0.9568 1.6450 1.6450 1.6450 1.6450 2.0830 2.0830 2.0830 2.0830 3.3065 3.3065 3.3065 3.3065 3.4944 3.4944 3.4944 3.4944 4.1691 4.1691 4.1691 4.1691 6.5943 6.5943 6.5943 6.5943 6.9402 6.9402 6.9402 6.9402 7.1287 7.1287 7.1287 7.1287 9.7826 9.7826 9.7827 9.7827 10.8278 10.8278 k = 0.0256 0.0148 0.2256 ( 6038 PWs) bands (ev): -20.3516 -20.3516 -20.3514 -20.3514 -5.3492 -5.3492 -5.3491 -5.3491 -4.8192 -4.8192 -4.8191 -4.8191 -4.1590 -4.1590 -4.1589 -4.1589 -3.9783 -3.9783 -3.9782 -3.9782 0.9577 0.9577 0.9578 0.9578 1.6449 1.6449 1.6449 1.6449 2.0826 2.0826 2.0826 2.0826 3.3012 3.3012 3.3012 3.3012 3.4965 3.4965 3.4965 3.4965 4.1765 4.1765 4.1765 4.1765 6.5021 6.5021 6.5022 6.5022 6.9544 6.9544 6.9544 6.9544 7.1896 7.1896 7.1896 7.1896 9.7813 9.7813 9.7814 9.7814 10.8299 10.8300 k = 0.0385 0.0222 0.2256 ( 6050 PWs) bands (ev): -20.3515 -20.3515 -20.3513 -20.3513 -5.3470 -5.3470 -5.3469 -5.3469 -4.8189 -4.8189 -4.8188 -4.8188 -4.1604 -4.1604 -4.1602 -4.1602 -3.9779 -3.9779 -3.9778 -3.9778 0.9593 0.9593 0.9593 0.9593 1.6448 1.6448 1.6448 1.6448 2.0819 2.0819 2.0819 2.0819 3.2928 3.2928 3.2928 3.2928 3.4997 3.4997 3.4997 3.4997 4.1887 4.1887 4.1887 4.1887 6.3895 6.3895 6.3895 6.3895 6.9479 6.9479 6.9479 6.9479 7.2805 7.2805 7.2805 7.2805 9.7791 9.7791 9.7792 9.7792 10.8317 10.8317 k = 0.0513 0.0296 0.2256 ( 6072 PWs) bands (ev): -20.3514 -20.3514 -20.3512 -20.3512 -5.3438 -5.3438 -5.3437 -5.3437 -4.8184 -4.8184 -4.8183 -4.8183 -4.1622 -4.1622 -4.1620 -4.1620 -3.9774 -3.9774 -3.9773 -3.9773 0.9613 0.9613 0.9613 0.9613 1.6447 1.6447 1.6447 1.6447 2.0810 2.0810 2.0810 2.0810 3.2819 3.2819 3.2819 3.2819 3.5035 3.5035 3.5036 3.5036 4.2054 4.2054 4.2054 4.2054 6.2683 6.2683 6.2683 6.2683 6.9263 6.9263 6.9263 6.9263 7.3842 7.3842 7.3842 7.3842 9.7758 9.7758 9.7759 9.7759 10.8307 10.8307 k = 0.0641 0.0370 0.2256 ( 6084 PWs) bands (ev): -20.3513 -20.3513 -20.3511 -20.3511 -5.3399 -5.3399 -5.3398 -5.3398 -4.8177 -4.8177 -4.8176 -4.8176 -4.1645 -4.1645 -4.1643 -4.1643 -3.9768 -3.9768 -3.9767 -3.9767 0.9640 0.9640 0.9640 0.9640 1.6446 1.6446 1.6446 1.6446 2.0798 2.0798 2.0798 2.0798 3.2690 3.2690 3.2690 3.2690 3.5077 3.5077 3.5078 3.5078 4.2265 4.2265 4.2265 4.2265 6.1429 6.1429 6.1429 6.1429 6.8942 6.8942 6.8942 6.8942 7.4919 7.4919 7.4919 7.4919 9.7711 9.7711 9.7712 9.7712 10.8250 10.8250 k = 0.0769 0.0444 0.2256 ( 6082 PWs) bands (ev): -20.3511 -20.3511 -20.3510 -20.3510 -5.3351 -5.3351 -5.3350 -5.3350 -4.8169 -4.8169 -4.8168 -4.8168 -4.1672 -4.1672 -4.1671 -4.1671 -3.9761 -3.9761 -3.9760 -3.9760 0.9671 0.9671 0.9671 0.9671 1.6447 1.6447 1.6447 1.6447 2.0783 2.0783 2.0783 2.0783 3.2546 3.2546 3.2546 3.2546 3.5120 3.5120 3.5120 3.5120 4.2515 4.2515 4.2515 4.2515 6.0155 6.0155 6.0155 6.0155 6.8539 6.8539 6.8539 6.8539 7.5996 7.5996 7.5996 7.5996 9.7647 9.7647 9.7647 9.7647 10.8139 10.8139 k = 0.0897 0.0518 0.2256 ( 6082 PWs) bands (ev): -20.3510 -20.3510 -20.3508 -20.3508 -5.3297 -5.3297 -5.3296 -5.3296 -4.8158 -4.8158 -4.8157 -4.8157 -4.1703 -4.1703 -4.1702 -4.1702 -3.9755 -3.9755 -3.9753 -3.9753 0.9707 0.9707 0.9707 0.9707 1.6448 1.6448 1.6448 1.6448 2.0767 2.0767 2.0767 2.0767 3.2392 3.2392 3.2392 3.2392 3.5161 3.5161 3.5161 3.5161 4.2801 4.2801 4.2801 4.2801 5.8871 5.8871 5.8871 5.8871 6.8068 6.8068 6.8068 6.8068 7.7053 7.7053 7.7053 7.7053 9.7560 9.7560 9.7561 9.7561 10.7988 10.7988 k = 0.1026 0.0592 0.2256 ( 6086 PWs) bands (ev): -20.3508 -20.3508 -20.3506 -20.3506 -5.3235 -5.3235 -5.3235 -5.3235 -4.8144 -4.8144 -4.8143 -4.8143 -4.1737 -4.1737 -4.1736 -4.1736 -3.9748 -3.9748 -3.9747 -3.9747 0.9748 0.9748 0.9748 0.9748 1.6452 1.6452 1.6452 1.6452 2.0749 2.0749 2.0749 2.0749 3.2232 3.2232 3.2232 3.2232 3.5198 3.5198 3.5199 3.5199 4.3119 4.3119 4.3119 4.3119 5.7587 5.7587 5.7587 5.7587 6.7537 6.7537 6.7537 6.7537 7.8077 7.8077 7.8077 7.8077 9.7445 9.7445 9.7446 9.7446 10.7824 10.7824 k = 0.1154 0.0666 0.2256 ( 6086 PWs) bands (ev): -20.3505 -20.3505 -20.3504 -20.3504 -5.3168 -5.3168 -5.3167 -5.3167 -4.8127 -4.8127 -4.8126 -4.8126 -4.1774 -4.1774 -4.1773 -4.1773 -3.9741 -3.9741 -3.9740 -3.9740 0.9793 0.9793 0.9793 0.9793 1.6458 1.6458 1.6458 1.6458 2.0730 2.0730 2.0730 2.0730 3.2067 3.2067 3.2067 3.2067 3.5233 3.5233 3.5233 3.5233 4.3465 4.3465 4.3465 4.3465 5.6308 5.6308 5.6308 5.6308 6.6954 6.6954 6.6954 6.6954 7.9058 7.9058 7.9058 7.9058 9.7297 9.7297 9.7298 9.7298 10.7678 10.7678 k = 0.1282 0.0740 0.2256 ( 6098 PWs) bands (ev): -20.3503 -20.3503 -20.3501 -20.3501 -5.3096 -5.3096 -5.3095 -5.3095 -4.8106 -4.8106 -4.8105 -4.8105 -4.1814 -4.1814 -4.1812 -4.1812 -3.9735 -3.9735 -3.9734 -3.9734 0.9841 0.9841 0.9841 0.9841 1.6468 1.6468 1.6468 1.6468 2.0709 2.0709 2.0709 2.0709 3.1901 3.1901 3.1901 3.1901 3.5263 3.5263 3.5263 3.5263 4.3834 4.3834 4.3834 4.3834 5.5041 5.5041 5.5041 5.5041 6.6327 6.6327 6.6327 6.6327 7.9987 7.9987 7.9987 7.9987 9.7110 9.7110 9.7110 9.7110 10.7580 10.7580 k = 0.1410 0.0814 0.2256 ( 6098 PWs) bands (ev): -20.3501 -20.3501 -20.3499 -20.3499 -5.3020 -5.3020 -5.3019 -5.3019 -4.8081 -4.8081 -4.8081 -4.8081 -4.1854 -4.1854 -4.1853 -4.1853 -3.9731 -3.9731 -3.9730 -3.9730 0.9892 0.9892 0.9892 0.9892 1.6481 1.6481 1.6481 1.6481 2.0687 2.0687 2.0687 2.0687 3.1735 3.1735 3.1735 3.1735 3.5289 3.5289 3.5289 3.5289 4.4220 4.4220 4.4220 4.4220 5.3792 5.3792 5.3792 5.3792 6.5663 6.5663 6.5663 6.5663 8.0859 8.0859 8.0859 8.0859 9.6878 9.6878 9.6879 9.6879 10.7554 10.7554 k = 0.1538 0.0888 0.2256 ( 6098 PWs) bands (ev): -20.3498 -20.3498 -20.3496 -20.3496 -5.2941 -5.2941 -5.2940 -5.2940 -4.8052 -4.8052 -4.8051 -4.8051 -4.1896 -4.1896 -4.1895 -4.1895 -3.9728 -3.9728 -3.9727 -3.9727 0.9946 0.9946 0.9946 0.9946 1.6498 1.6498 1.6498 1.6498 2.0665 2.0665 2.0665 2.0665 3.1571 3.1571 3.1571 3.1571 3.5311 3.5311 3.5311 3.5311 4.4616 4.4616 4.4616 4.4616 5.2570 5.2570 5.2570 5.2570 6.4967 6.4967 6.4967 6.4967 8.1667 8.1667 8.1667 8.1667 9.6602 9.6602 9.6602 9.6602 10.7617 10.7617 k = 0.1667 0.0962 0.2256 ( 6104 PWs) bands (ev): -20.3495 -20.3495 -20.3493 -20.3493 -5.2860 -5.2860 -5.2859 -5.2859 -4.8017 -4.8017 -4.8016 -4.8016 -4.1939 -4.1939 -4.1938 -4.1938 -3.9726 -3.9726 -3.9725 -3.9725 1.0003 1.0003 1.0003 1.0003 1.6519 1.6519 1.6519 1.6519 2.0643 2.0643 2.0643 2.0643 3.1409 3.1409 3.1409 3.1409 3.5329 3.5329 3.5329 3.5329 4.5009 4.5009 4.5009 4.5009 5.1388 5.1388 5.1389 5.1389 6.4246 6.4246 6.4246 6.4246 8.2407 8.2407 8.2408 8.2408 9.6281 9.6281 9.6281 9.6281 10.7779 10.7779 k = 0.1795 0.1036 0.2256 ( 6106 PWs) bands (ev): -20.3492 -20.3492 -20.3490 -20.3490 -5.2777 -5.2777 -5.2776 -5.2776 -4.7976 -4.7976 -4.7975 -4.7975 -4.1982 -4.1982 -4.1980 -4.1980 -3.9727 -3.9727 -3.9726 -3.9726 1.0061 1.0061 1.0061 1.0061 1.6545 1.6545 1.6545 1.6545 2.0621 2.0621 2.0621 2.0621 3.1251 3.1251 3.1251 3.1251 3.5342 3.5342 3.5342 3.5342 4.5374 4.5374 4.5374 4.5374 5.0272 5.0272 5.0272 5.0272 6.3504 6.3504 6.3504 6.3504 8.3076 8.3076 8.3076 8.3076 9.5919 9.5919 9.5920 9.5920 10.8045 10.8045 k = 0.1923 0.1110 0.2256 ( 6096 PWs) bands (ev): -20.3489 -20.3489 -20.3487 -20.3487 -5.2695 -5.2695 -5.2694 -5.2694 -4.7929 -4.7929 -4.7928 -4.7928 -4.2024 -4.2024 -4.2023 -4.2023 -3.9729 -3.9729 -3.9729 -3.9729 1.0121 1.0121 1.0121 1.0121 1.6575 1.6575 1.6575 1.6575 2.0600 2.0600 2.0601 2.0601 3.1096 3.1096 3.1096 3.1096 3.5351 3.5351 3.5351 3.5351 4.5658 4.5658 4.5658 4.5658 4.9276 4.9276 4.9276 4.9276 6.2748 6.2748 6.2748 6.2748 8.3671 8.3671 8.3671 8.3671 9.5524 9.5524 9.5524 9.5524 10.8411 10.8412 k = 0.2051 0.1184 0.2256 ( 6100 PWs) bands (ev): -20.3485 -20.3485 -20.3484 -20.3484 -5.2615 -5.2615 -5.2613 -5.2613 -4.7875 -4.7875 -4.7874 -4.7874 -4.2066 -4.2066 -4.2065 -4.2065 -3.9734 -3.9734 -3.9734 -3.9734 1.0183 1.0183 1.0183 1.0183 1.6609 1.6609 1.6609 1.6609 2.0581 2.0581 2.0581 2.0581 3.0946 3.0946 3.0946 3.0946 3.5355 3.5355 3.5355 3.5355 4.5722 4.5722 4.5722 4.5722 4.8539 4.8539 4.8539 4.8539 6.1981 6.1981 6.1981 6.1981 8.4191 8.4191 8.4191 8.4191 9.5101 9.5101 9.5101 9.5101 10.8872 10.8873 k = 0.2179 0.1258 0.2256 ( 6106 PWs) bands (ev): -20.3482 -20.3482 -20.3480 -20.3480 -5.2536 -5.2536 -5.2535 -5.2535 -4.7814 -4.7814 -4.7814 -4.7814 -4.2106 -4.2106 -4.2105 -4.2105 -3.9742 -3.9742 -3.9741 -3.9741 1.0247 1.0247 1.0247 1.0247 1.6647 1.6647 1.6647 1.6647 2.0563 2.0563 2.0563 2.0563 3.0800 3.0800 3.0801 3.0801 3.5355 3.5355 3.5355 3.5355 4.5372 4.5372 4.5373 4.5373 4.8258 4.8258 4.8258 4.8258 6.1209 6.1209 6.1209 6.1209 8.4638 8.4638 8.4639 8.4639 9.4659 9.4659 9.4659 9.4659 10.9417 10.9418 k = 0.2308 0.1332 0.2256 ( 6112 PWs) bands (ev): -20.3479 -20.3479 -20.3477 -20.3477 -5.2460 -5.2460 -5.2459 -5.2459 -4.7746 -4.7746 -4.7746 -4.7746 -4.2145 -4.2145 -4.2144 -4.2144 -3.9752 -3.9752 -3.9751 -3.9751 1.0312 1.0312 1.0312 1.0312 1.6687 1.6687 1.6687 1.6687 2.0547 2.0547 2.0547 2.0547 3.0660 3.0660 3.0660 3.0660 3.5348 3.5348 3.5348 3.5348 4.4650 4.4650 4.4650 4.4650 4.8392 4.8392 4.8392 4.8392 6.0436 6.0436 6.0436 6.0436 8.5014 8.5014 8.5014 8.5014 9.4205 9.4205 9.4205 9.4205 11.0034 11.0034 k = 0.2436 0.1406 0.2256 ( 6116 PWs) bands (ev): -20.3475 -20.3475 -20.3474 -20.3474 -5.2389 -5.2389 -5.2388 -5.2388 -4.7671 -4.7671 -4.7671 -4.7671 -4.2181 -4.2181 -4.2180 -4.2180 -3.9765 -3.9765 -3.9764 -3.9764 1.0379 1.0379 1.0379 1.0379 1.6728 1.6728 1.6728 1.6728 2.0534 2.0534 2.0534 2.0534 3.0524 3.0524 3.0524 3.0524 3.5335 3.5335 3.5335 3.5335 4.3768 4.3768 4.3768 4.3768 4.8730 4.8730 4.8730 4.8730 5.9665 5.9665 5.9665 5.9665 8.5322 8.5322 8.5322 8.5322 9.3745 9.3745 9.3745 9.3745 11.0708 11.0708 k = 0.2564 0.1480 0.2256 ( 6134 PWs) bands (ev): -20.3472 -20.3472 -20.3470 -20.3470 -5.2322 -5.2322 -5.2321 -5.2321 -4.7590 -4.7590 -4.7589 -4.7589 -4.2215 -4.2215 -4.2214 -4.2214 -3.9780 -3.9780 -3.9779 -3.9779 1.0449 1.0449 1.0449 1.0449 1.6769 1.6769 1.6769 1.6769 2.0524 2.0524 2.0524 2.0524 3.0393 3.0393 3.0393 3.0393 3.5314 3.5314 3.5314 3.5314 4.2848 4.2848 4.2848 4.2848 4.9152 4.9152 4.9152 4.9152 5.8902 5.8902 5.8902 5.8902 8.5566 8.5566 8.5566 8.5566 9.3285 9.3285 9.3286 9.3286 11.1424 11.1425 k = 0.2692 0.1554 0.2256 ( 6130 PWs) bands (ev): -20.3469 -20.3469 -20.3467 -20.3467 -5.2260 -5.2260 -5.2259 -5.2259 -4.7502 -4.7502 -4.7502 -4.7502 -4.2247 -4.2247 -4.2246 -4.2246 -3.9798 -3.9798 -3.9798 -3.9798 1.0521 1.0521 1.0521 1.0521 1.6809 1.6809 1.6809 1.6809 2.0518 2.0518 2.0518 2.0518 3.0267 3.0267 3.0267 3.0267 3.5282 3.5282 3.5282 3.5282 4.1939 4.1939 4.1940 4.1940 4.9611 4.9611 4.9611 4.9611 5.8149 5.8149 5.8149 5.8149 8.5751 8.5751 8.5751 8.5751 9.2830 9.2830 9.2831 9.2831 11.2167 11.2168 k = 0.2821 0.1628 0.2256 ( 6118 PWs) bands (ev): -20.3465 -20.3465 -20.3464 -20.3464 -5.2204 -5.2204 -5.2202 -5.2202 -4.7408 -4.7408 -4.7408 -4.7408 -4.2275 -4.2275 -4.2274 -4.2274 -3.9819 -3.9819 -3.9819 -3.9819 1.0596 1.0596 1.0596 1.0596 1.6845 1.6845 1.6845 1.6845 2.0515 2.0515 2.0515 2.0515 3.0146 3.0146 3.0146 3.0146 3.5238 3.5238 3.5238 3.5238 4.1068 4.1068 4.1068 4.1068 5.0085 5.0085 5.0085 5.0085 5.7412 5.7412 5.7412 5.7412 8.5882 8.5882 8.5882 8.5882 9.2384 9.2384 9.2384 9.2384 11.2923 11.2924 k = 0.2949 0.1702 0.2256 ( 6122 PWs) bands (ev): -20.3462 -20.3462 -20.3460 -20.3460 -5.2153 -5.2153 -5.2151 -5.2151 -4.7310 -4.7310 -4.7310 -4.7310 -4.2299 -4.2299 -4.2298 -4.2298 -3.9843 -3.9843 -3.9842 -3.9842 1.0674 1.0674 1.0674 1.0674 1.6876 1.6876 1.6876 1.6876 2.0515 2.0515 2.0515 2.0515 3.0030 3.0030 3.0030 3.0030 3.5176 3.5176 3.5176 3.5176 4.0249 4.0249 4.0249 4.0249 5.0562 5.0562 5.0562 5.0562 5.6695 5.6695 5.6695 5.6695 8.5965 8.5965 8.5965 8.5965 9.1948 9.1948 9.1949 9.1949 11.3678 11.3678 k = 0.3077 0.1776 0.2256 ( 6124 PWs) bands (ev): -20.3459 -20.3459 -20.3457 -20.3457 -5.2107 -5.2107 -5.2106 -5.2106 -4.7208 -4.7208 -4.7208 -4.7208 -4.2320 -4.2320 -4.2319 -4.2319 -3.9869 -3.9869 -3.9868 -3.9868 1.0755 1.0755 1.0755 1.0755 1.6900 1.6900 1.6900 1.6900 2.0519 2.0519 2.0519 2.0519 2.9918 2.9918 2.9918 2.9918 3.5091 3.5091 3.5092 3.5092 3.9496 3.9496 3.9496 3.9496 5.1032 5.1032 5.1032 5.1032 5.6004 5.6004 5.6004 5.6004 8.6007 8.6007 8.6007 8.6007 9.1527 9.1527 9.1527 9.1527 11.4420 11.4420 k = 0.3205 0.1850 0.2256 ( 6132 PWs) bands (ev): -20.3455 -20.3455 -20.3454 -20.3454 -5.2068 -5.2068 -5.2066 -5.2066 -4.7104 -4.7104 -4.7104 -4.7104 -4.2336 -4.2336 -4.2336 -4.2336 -3.9897 -3.9897 -3.9897 -3.9897 1.0840 1.0840 1.0840 1.0840 1.6916 1.6916 1.6916 1.6916 2.0526 2.0526 2.0526 2.0526 2.9811 2.9811 2.9811 2.9811 3.4977 3.4977 3.4977 3.4977 3.8820 3.8820 3.8820 3.8820 5.1485 5.1485 5.1485 5.1485 5.5347 5.5347 5.5347 5.5347 8.6012 8.6012 8.6013 8.6013 9.1121 9.1121 9.1122 9.1122 11.5141 11.5141 k = 0.3333 0.1925 0.2256 ( 6128 PWs) bands (ev): -20.3452 -20.3452 -20.3451 -20.3451 -5.2033 -5.2033 -5.2032 -5.2032 -4.6999 -4.6999 -4.6999 -4.6999 -4.2349 -4.2349 -4.2348 -4.2348 -3.9928 -3.9928 -3.9928 -3.9928 1.0929 1.0929 1.0929 1.0929 1.6921 1.6921 1.6922 1.6922 2.0535 2.0535 2.0535 2.0535 2.9709 2.9709 2.9709 2.9709 3.4826 3.4826 3.4826 3.4826 3.8235 3.8235 3.8235 3.8235 5.1906 5.1906 5.1906 5.1906 5.4738 5.4738 5.4738 5.4738 8.5988 8.5988 8.5988 8.5988 9.0733 9.0733 9.0734 9.0734 11.5835 11.5835 k = 0.3462 0.1999 0.2256 ( 6126 PWs) bands (ev): -20.3450 -20.3450 -20.3448 -20.3448 -5.2003 -5.2003 -5.2002 -5.2002 -4.6894 -4.6894 -4.6894 -4.6894 -4.2357 -4.2357 -4.2356 -4.2356 -3.9961 -3.9961 -3.9960 -3.9960 1.1022 1.1022 1.1022 1.1022 1.6917 1.6917 1.6917 1.6917 2.0546 2.0546 2.0546 2.0546 2.9612 2.9612 2.9612 2.9612 3.4631 3.4631 3.4631 3.4631 3.7749 3.7749 3.7749 3.7749 5.2258 5.2258 5.2258 5.2258 5.4213 5.4213 5.4213 5.4213 8.5939 8.5939 8.5940 8.5940 9.0364 9.0364 9.0364 9.0364 11.6498 11.6499 k = 0.3590 0.2073 0.2256 ( 6126 PWs) bands (ev): -20.3447 -20.3447 -20.3445 -20.3445 -5.1978 -5.1978 -5.1977 -5.1977 -4.6792 -4.6792 -4.6791 -4.6791 -4.2362 -4.2362 -4.2361 -4.2361 -3.9995 -3.9995 -3.9994 -3.9994 1.1118 1.1118 1.1118 1.1118 1.6901 1.6901 1.6901 1.6901 2.0557 2.0557 2.0557 2.0557 2.9520 2.9520 2.9520 2.9520 3.4393 3.4393 3.4393 3.4393 3.7364 3.7364 3.7364 3.7364 5.2444 5.2444 5.2444 5.2444 5.3869 5.3869 5.3869 5.3869 8.5872 8.5872 8.5873 8.5873 9.0015 9.0015 9.0016 9.0016 11.7130 11.7130 k = 0.3718 0.2147 0.2256 ( 6122 PWs) bands (ev): -20.3444 -20.3444 -20.3443 -20.3443 -5.1957 -5.1957 -5.1955 -5.1955 -4.6693 -4.6693 -4.6692 -4.6692 -4.2362 -4.2362 -4.2361 -4.2361 -4.0029 -4.0029 -4.0029 -4.0029 1.1217 1.1217 1.1217 1.1217 1.6874 1.6874 1.6874 1.6874 2.0568 2.0568 2.0568 2.0568 2.9434 2.9434 2.9434 2.9434 3.4122 3.4122 3.4122 3.4122 3.7073 3.7073 3.7073 3.7073 5.2325 5.2325 5.2325 5.2325 5.3845 5.3845 5.3845 5.3845 8.5792 8.5792 8.5792 8.5792 8.9689 8.9689 8.9689 8.9689 11.7729 11.7730 k = 0.3846 0.2221 0.2256 ( 6122 PWs) bands (ev): -20.3442 -20.3442 -20.3440 -20.3440 -5.1939 -5.1939 -5.1938 -5.1938 -4.6598 -4.6598 -4.6598 -4.6598 -4.2359 -4.2359 -4.2358 -4.2358 -4.0065 -4.0065 -4.0064 -4.0064 1.1317 1.1317 1.1317 1.1317 1.6837 1.6837 1.6837 1.6837 2.0577 2.0577 2.0577 2.0577 2.9354 2.9354 2.9354 2.9354 3.3833 3.3833 3.3833 3.3833 3.6859 3.6859 3.6859 3.6859 5.1983 5.1983 5.1983 5.1983 5.4057 5.4057 5.4057 5.4057 8.5703 8.5703 8.5704 8.5704 8.9386 8.9386 8.9386 8.9386 11.8296 11.8296 k = 0.3974 0.2295 0.2256 ( 6124 PWs) bands (ev): -20.3440 -20.3440 -20.3438 -20.3438 -5.1925 -5.1925 -5.1924 -5.1924 -4.6511 -4.6511 -4.6510 -4.6510 -4.2352 -4.2352 -4.2351 -4.2351 -4.0100 -4.0100 -4.0099 -4.0099 1.1417 1.1417 1.1417 1.1417 1.6791 1.6791 1.6791 1.6791 2.0585 2.0585 2.0585 2.0585 2.9280 2.9280 2.9281 2.9281 3.3546 3.3546 3.3546 3.3546 3.6705 3.6705 3.6705 3.6705 5.1584 5.1584 5.1584 5.1584 5.4342 5.4342 5.4342 5.4342 8.5611 8.5611 8.5611 8.5611 8.9108 8.9108 8.9108 8.9108 11.8829 11.8829 k = 0.4103 0.2369 0.2256 ( 6116 PWs) bands (ev): -20.3438 -20.3438 -20.3436 -20.3436 -5.1914 -5.1914 -5.1912 -5.1912 -4.6430 -4.6430 -4.6430 -4.6430 -4.2343 -4.2343 -4.2342 -4.2342 -4.0134 -4.0134 -4.0133 -4.0133 1.1516 1.1516 1.1516 1.1516 1.6738 1.6738 1.6738 1.6738 2.0590 2.0590 2.0590 2.0590 2.9215 2.9215 2.9215 2.9215 3.3276 3.3276 3.3276 3.3276 3.6594 3.6594 3.6594 3.6594 5.1193 5.1193 5.1193 5.1193 5.4632 5.4632 5.4632 5.4632 8.5519 8.5519 8.5519 8.5519 8.8857 8.8857 8.8857 8.8857 11.9325 11.9326 k = 0.4231 0.2443 0.2256 ( 6112 PWs) bands (ev): -20.3436 -20.3436 -20.3434 -20.3434 -5.1905 -5.1905 -5.1903 -5.1903 -4.6359 -4.6359 -4.6358 -4.6358 -4.2332 -4.2332 -4.2331 -4.2331 -4.0166 -4.0166 -4.0166 -4.0166 1.1611 1.1611 1.1611 1.1611 1.6680 1.6680 1.6680 1.6680 2.0593 2.0593 2.0593 2.0593 2.9157 2.9157 2.9157 2.9157 3.3032 3.3032 3.3032 3.3032 3.6513 3.6513 3.6513 3.6513 5.0836 5.0836 5.0836 5.0836 5.4902 5.4902 5.4902 5.4902 8.5431 8.5431 8.5431 8.5431 8.8635 8.8635 8.8636 8.8636 11.9780 11.9780 k = 0.4359 0.2517 0.2256 ( 6114 PWs) bands (ev): -20.3435 -20.3435 -20.3433 -20.3433 -5.1897 -5.1897 -5.1896 -5.1896 -4.6296 -4.6296 -4.6296 -4.6296 -4.2321 -4.2321 -4.2319 -4.2319 -4.0196 -4.0196 -4.0195 -4.0195 1.1699 1.1699 1.1699 1.1699 1.6622 1.6622 1.6622 1.6622 2.0594 2.0594 2.0594 2.0594 2.9107 2.9107 2.9107 2.9107 3.2822 3.2822 3.2822 3.2822 3.6455 3.6455 3.6455 3.6455 5.0522 5.0522 5.0522 5.0522 5.5142 5.5142 5.5142 5.5142 8.5350 8.5350 8.5351 8.5351 8.8444 8.8444 8.8445 8.8445 12.0187 12.0187 k = 0.4487 0.2591 0.2256 ( 6122 PWs) bands (ev): -20.3433 -20.3433 -20.3432 -20.3432 -5.1892 -5.1892 -5.1891 -5.1891 -4.6245 -4.6245 -4.6244 -4.6244 -4.2309 -4.2309 -4.2308 -4.2308 -4.0222 -4.0222 -4.0221 -4.0221 1.1778 1.1778 1.1778 1.1778 1.6567 1.6567 1.6567 1.6567 2.0593 2.0593 2.0593 2.0593 2.9066 2.9066 2.9066 2.9066 3.2649 3.2649 3.2650 3.2650 3.6413 3.6413 3.6413 3.6413 5.0259 5.0259 5.0260 5.0260 5.5344 5.5344 5.5344 5.5344 8.5280 8.5280 8.5281 8.5281 8.8286 8.8286 8.8286 8.8286 12.0538 12.0538 k = 0.4615 0.2665 0.2256 ( 6126 PWs) bands (ev): -20.3432 -20.3432 -20.3431 -20.3431 -5.1888 -5.1888 -5.1887 -5.1887 -4.6204 -4.6204 -4.6203 -4.6203 -4.2299 -4.2299 -4.2298 -4.2298 -4.0243 -4.0243 -4.0242 -4.0242 1.1844 1.1844 1.1844 1.1844 1.6518 1.6518 1.6518 1.6518 2.0592 2.0592 2.0592 2.0592 2.9035 2.9035 2.9035 2.9035 3.2515 3.2515 3.2515 3.2515 3.6384 3.6384 3.6384 3.6384 5.0051 5.0051 5.0051 5.0051 5.5506 5.5506 5.5506 5.5506 8.5223 8.5223 8.5224 8.5224 8.8161 8.8161 8.8161 8.8161 12.0825 12.0825 k = 0.4744 0.2739 0.2256 ( 6122 PWs) bands (ev): -20.3432 -20.3432 -20.3430 -20.3430 -5.1886 -5.1886 -5.1884 -5.1884 -4.6174 -4.6174 -4.6173 -4.6173 -4.2291 -4.2291 -4.2289 -4.2289 -4.0259 -4.0259 -4.0258 -4.0258 1.1893 1.1893 1.1893 1.1893 1.6480 1.6480 1.6480 1.6480 2.0590 2.0590 2.0590 2.0590 2.9012 2.9012 2.9012 2.9012 3.2419 3.2419 3.2419 3.2419 3.6365 3.6365 3.6365 3.6365 4.9900 4.9900 4.9900 4.9900 5.5624 5.5624 5.5624 5.5624 8.5181 8.5181 8.5181 8.5181 8.8071 8.8071 8.8071 8.8071 12.1038 12.1038 k = 0.4872 0.2813 0.2256 ( 6120 PWs) bands (ev): -20.3431 -20.3431 -20.3430 -20.3430 -5.1884 -5.1884 -5.1882 -5.1882 -4.6156 -4.6156 -4.6156 -4.6156 -4.2286 -4.2286 -4.2284 -4.2284 -4.0269 -4.0269 -4.0268 -4.0268 1.1924 1.1924 1.1924 1.1924 1.6456 1.6456 1.6456 1.6456 2.0589 2.0589 2.0589 2.0589 2.8999 2.8999 2.8999 2.8999 3.2362 3.2362 3.2362 3.2362 3.6354 3.6354 3.6354 3.6354 4.9809 4.9809 4.9809 4.9809 5.5695 5.5695 5.5695 5.5695 8.5155 8.5155 8.5156 8.5156 8.8016 8.8016 8.8016 8.8016 12.1169 12.1170 k = 0.5000 0.2887 0.2256 ( 6120 PWs) bands (ev): -20.3431 -20.3431 -20.3430 -20.3430 -5.1884 -5.1884 -5.1882 -5.1882 -4.6151 -4.6151 -4.6150 -4.6150 -4.2284 -4.2284 -4.2282 -4.2282 -4.0272 -4.0272 -4.0271 -4.0271 1.1935 1.1935 1.1935 1.1935 1.6448 1.6448 1.6448 1.6448 2.0589 2.0589 2.0589 2.0589 2.8994 2.8994 2.8994 2.8994 3.2343 3.2343 3.2343 3.2343 3.6350 3.6350 3.6350 3.6350 4.9779 4.9779 4.9779 4.9779 5.5719 5.5719 5.5719 5.5719 8.5146 8.5146 8.5147 8.5147 8.7998 8.7998 8.7998 8.7998 12.1214 12.1214 k = 0.5000 0.2887 0.2256 ( 6120 PWs) bands (ev): -20.3431 -20.3431 -20.3430 -20.3430 -5.1884 -5.1884 -5.1882 -5.1882 -4.6151 -4.6151 -4.6150 -4.6150 -4.2284 -4.2284 -4.2282 -4.2282 -4.0272 -4.0272 -4.0271 -4.0271 1.1935 1.1935 1.1935 1.1935 1.6448 1.6448 1.6448 1.6448 2.0589 2.0589 2.0589 2.0589 2.8994 2.8994 2.8994 2.8994 3.2343 3.2343 3.2343 3.2343 3.6350 3.6350 3.6350 3.6350 4.9779 4.9779 4.9779 4.9779 5.5719 5.5719 5.5719 5.5719 8.5146 8.5146 8.5147 8.5147 8.7998 8.7998 8.7998 8.7998 12.1214 12.1214 k = 0.4928 0.3012 0.2256 ( 6120 PWs) bands (ev): -20.3431 -20.3431 -20.3430 -20.3430 -5.1904 -5.1904 -5.1860 -5.1860 -4.6217 -4.6217 -4.6080 -4.6080 -4.2286 -4.2286 -4.2285 -4.2285 -4.0312 -4.0312 -4.0229 -4.0229 1.1859 1.1859 1.2004 1.2004 1.6289 1.6289 1.6628 1.6628 2.0490 2.0490 2.0693 2.0693 2.8913 2.8913 2.9065 2.9065 3.2323 3.2323 3.2373 3.2373 3.6323 3.6323 3.6374 3.6374 4.9605 4.9605 4.9831 4.9831 5.5654 5.5654 5.5799 5.5799 8.5129 8.5129 8.5246 8.5246 8.8012 8.8012 8.8082 8.8082 12.1168 12.1171 k = 0.4855 0.3138 0.2256 ( 6130 PWs) bands (ev): -20.3431 -20.3431 -20.3429 -20.3429 -5.1923 -5.1923 -5.1835 -5.1835 -4.6281 -4.6281 -4.6007 -4.6007 -4.2293 -4.2293 -4.2291 -4.2291 -4.0350 -4.0350 -4.0184 -4.0184 1.1777 1.1777 1.2066 1.2066 1.6153 1.6153 1.6829 1.6829 2.0395 2.0395 2.0801 2.0801 2.8822 2.8822 2.9125 2.9125 3.2314 3.2314 3.2414 3.2414 3.6291 3.6291 3.6395 3.6395 4.9313 4.9313 4.9761 4.9761 5.5606 5.5606 5.5893 5.5893 8.5191 8.5191 8.5413 8.5413 8.8130 8.8130 8.8264 8.8264 12.1058 12.1065 k = 0.4783 0.3263 0.2256 ( 6126 PWs) bands (ev): -20.3431 -20.3431 -20.3429 -20.3429 -5.1941 -5.1941 -5.1808 -5.1808 -4.6341 -4.6341 -4.5931 -4.5931 -4.2304 -4.2304 -4.2301 -4.2301 -4.0385 -4.0385 -4.0139 -4.0139 1.1692 1.1692 1.2119 1.2119 1.6038 1.6038 1.7049 1.7049 2.0306 2.0306 2.0914 2.0914 2.8723 2.8723 2.9173 2.9173 3.2316 3.2316 3.2464 3.2464 3.6256 3.6256 3.6413 3.6413 4.8912 4.8912 4.9575 4.9575 5.5575 5.5575 5.5998 5.5998 8.5320 8.5320 8.5620 8.5620 8.8371 8.8371 8.8556 8.8556 12.0894 12.0895 k = 0.4710 0.3389 0.2256 ( 6116 PWs) bands (ev): -20.3431 -20.3431 -20.3429 -20.3429 -5.1956 -5.1956 -5.1780 -5.1780 -4.6398 -4.6398 -4.5851 -4.5851 -4.2322 -4.2322 -4.2313 -4.2313 -4.0416 -4.0416 -4.0092 -4.0092 1.1604 1.1604 1.2163 1.2163 1.5945 1.5945 1.7289 1.7289 2.0222 2.0222 2.1030 2.1030 2.8619 2.8619 2.9207 2.9207 3.2330 3.2330 3.2525 3.2525 3.6218 3.6218 3.6428 3.6428 4.8413 4.8413 4.9279 4.9279 5.5561 5.5561 5.6114 5.6114 8.5491 8.5491 8.5833 8.5833 8.8755 8.8755 8.8975 8.8975 12.0682 12.0683 k = 0.4638 0.3514 0.2256 ( 6112 PWs) bands (ev): -20.3430 -20.3430 -20.3428 -20.3428 -5.1969 -5.1969 -5.1751 -5.1751 -4.6451 -4.6451 -4.5769 -4.5769 -4.2345 -4.2345 -4.2327 -4.2327 -4.0444 -4.0444 -4.0046 -4.0046 1.1515 1.1515 1.2198 1.2198 1.5872 1.5872 1.7546 1.7546 2.0143 2.0143 2.1150 2.1150 2.8509 2.8509 2.9229 2.9229 3.2355 3.2355 3.2595 3.2595 3.6175 3.6175 3.6441 3.6441 4.7829 4.7829 4.8884 4.8884 5.5564 5.5564 5.6238 5.6238 8.5678 8.5678 8.6026 8.6026 8.9289 8.9289 8.9531 8.9531 12.0433 12.0434 k = 0.4565 0.3640 0.2256 ( 6116 PWs) bands (ev): -20.3430 -20.3430 -20.3428 -20.3428 -5.1981 -5.1981 -5.1720 -5.1720 -4.6501 -4.6501 -4.5684 -4.5684 -4.2374 -4.2374 -4.2343 -4.2343 -4.0468 -4.0468 -3.9999 -3.9999 1.1427 1.1427 1.2225 1.2225 1.5817 1.5817 1.7819 1.7819 2.0069 2.0069 2.1273 2.1273 2.8397 2.8397 2.9238 2.9238 3.2393 3.2393 3.2673 3.2673 3.6128 3.6128 3.6451 3.6451 4.7175 4.7175 4.8402 4.8402 5.5582 5.5582 5.6371 5.6371 8.5864 8.5864 8.6189 8.6189 8.9966 8.9966 9.0230 9.0230 12.0157 12.0157 k = 0.4493 0.3765 0.2256 ( 6110 PWs) bands (ev): -20.3429 -20.3429 -20.3428 -20.3428 -5.1991 -5.1991 -5.1689 -5.1689 -4.6548 -4.6548 -4.5597 -4.5597 -4.2409 -4.2409 -4.2360 -4.2360 -4.0489 -4.0489 -3.9953 -3.9953 1.1339 1.1339 1.2244 1.2244 1.5779 1.5779 1.8106 1.8106 2.0001 2.0001 2.1397 2.1397 2.8284 2.8284 2.9234 2.9234 3.2443 3.2443 3.2760 3.2760 3.6077 3.6077 3.6460 3.6460 4.6465 4.6465 4.7845 4.7845 5.5615 5.5615 5.6510 5.6510 8.6036 8.6036 8.6324 8.6324 9.0766 9.0766 9.1065 9.1065 11.9863 11.9863 k = 0.4420 0.3891 0.2256 ( 6108 PWs) bands (ev): -20.3429 -20.3429 -20.3427 -20.3427 -5.1999 -5.1999 -5.1657 -5.1657 -4.6591 -4.6591 -4.5508 -4.5508 -4.2449 -4.2449 -4.2377 -4.2377 -4.0506 -4.0506 -3.9909 -3.9909 1.1254 1.1254 1.2257 1.2257 1.5754 1.5754 1.8406 1.8406 1.9938 1.9938 2.1523 2.1523 2.8170 2.8170 2.9218 2.9218 3.2508 3.2508 3.2854 3.2854 3.6022 3.6022 3.6467 3.6467 4.5714 4.5714 4.7228 4.7228 5.5661 5.5661 5.6655 5.6655 8.6192 8.6192 8.6437 8.6437 9.1661 9.1661 9.2022 9.2022 11.9562 11.9562 k = 0.4348 0.4016 0.2256 ( 6118 PWs) bands (ev): -20.3428 -20.3428 -20.3426 -20.3426 -5.2006 -5.2006 -5.1625 -5.1625 -4.6631 -4.6631 -4.5416 -4.5416 -4.2494 -4.2494 -4.2395 -4.2395 -4.0520 -4.0520 -3.9866 -3.9866 1.1172 1.1172 1.2265 1.2265 1.5740 1.5740 1.8716 1.8716 1.9881 1.9881 2.1649 2.1649 2.8059 2.8059 2.9190 2.9190 3.2588 3.2588 3.2956 3.2956 3.5963 3.5963 3.6472 3.6472 4.4935 4.4935 4.6561 4.6561 5.5719 5.5719 5.6805 5.6805 8.6330 8.6330 8.6534 8.6534 9.2625 9.2625 9.3081 9.3081 11.9262 11.9263 k = 0.4275 0.4142 0.2256 ( 6114 PWs) bands (ev): -20.3427 -20.3427 -20.3426 -20.3426 -5.2012 -5.2012 -5.1594 -5.1594 -4.6667 -4.6667 -4.5323 -4.5323 -4.2544 -4.2544 -4.2412 -4.2412 -4.0530 -4.0530 -3.9824 -3.9824 1.1093 1.1093 1.2270 1.2270 1.5734 1.5734 1.9034 1.9034 1.9831 1.9831 2.1773 2.1773 2.7952 2.7952 2.9150 2.9150 3.2685 3.2685 3.3063 3.3063 3.5901 3.5901 3.6477 3.6477 4.4141 4.4141 4.5858 4.5858 5.5786 5.5786 5.6958 5.6958 8.6453 8.6453 8.6619 8.6619 9.3634 9.3634 9.4221 9.4221 11.8972 11.8973 k = 0.4203 0.4267 0.2256 ( 6098 PWs) bands (ev): -20.3427 -20.3427 -20.3425 -20.3425 -5.2016 -5.2016 -5.1563 -5.1563 -4.6699 -4.6699 -4.5229 -4.5229 -4.2597 -4.2597 -4.2429 -4.2429 -4.0539 -4.0539 -3.9785 -3.9785 1.1020 1.1020 1.2274 1.2274 1.5733 1.5733 1.9352 1.9352 1.9791 1.9791 2.1895 2.1895 2.7850 2.7850 2.9100 2.9100 3.2800 3.2800 3.3177 3.3177 3.5836 3.5836 3.6480 3.6480 4.3342 4.3342 4.5130 4.5130 5.5862 5.5862 5.7114 5.7114 8.6562 8.6562 8.6694 8.6694 9.4665 9.4665 9.5420 9.5420 11.8699 11.8699 k = 0.4130 0.4393 0.2256 ( 6096 PWs) bands (ev): -20.3426 -20.3426 -20.3424 -20.3424 -5.2019 -5.2019 -5.1533 -5.1533 -4.6728 -4.6728 -4.5134 -4.5134 -4.2654 -4.2654 -4.2446 -4.2446 -4.0545 -4.0545 -3.9748 -3.9748 1.0951 1.0951 1.2277 1.2277 1.5734 1.5734 1.9625 1.9625 1.9805 1.9805 2.2012 2.2012 2.7754 2.7754 2.9041 2.9041 3.2934 3.2934 3.3297 3.3297 3.5768 3.5768 3.6483 3.6483 4.2551 4.2551 4.4386 4.4386 5.5944 5.5944 5.7269 5.7269 8.6657 8.6657 8.6760 8.6760 9.5695 9.5695 9.6656 9.6656 11.8446 11.8447 k = 0.4058 0.4518 0.2256 ( 6104 PWs) bands (ev): -20.3425 -20.3425 -20.3424 -20.3424 -5.2021 -5.2021 -5.1505 -5.1505 -4.6753 -4.6753 -4.5039 -4.5039 -4.2713 -4.2713 -4.2461 -4.2461 -4.0550 -4.0550 -3.9714 -3.9714 1.0888 1.0888 1.2282 1.2282 1.5736 1.5736 1.9669 1.9669 2.0054 2.0054 2.2123 2.2123 2.7666 2.7666 2.8972 2.8972 3.3089 3.3089 3.3421 3.3421 3.5697 3.5697 3.6486 3.6486 4.1776 4.1776 4.3635 4.3635 5.6031 5.6031 5.7422 5.7422 8.6739 8.6739 8.6817 8.6817 9.6702 9.6702 9.7905 9.7905 11.8221 11.8221 k = 0.3986 0.4644 0.2256 ( 6108 PWs) bands (ev): -20.3425 -20.3425 -20.3423 -20.3423 -5.2023 -5.2023 -5.1478 -5.1478 -4.6775 -4.6775 -4.4945 -4.4945 -4.2774 -4.2774 -4.2475 -4.2475 -4.0554 -4.0554 -3.9682 -3.9682 1.0831 1.0831 1.2289 1.2289 1.5736 1.5736 1.9646 1.9646 2.0371 2.0371 2.2227 2.2227 2.7587 2.7587 2.8896 2.8896 3.3266 3.3266 3.3552 3.3552 3.5624 3.5624 3.6489 3.6489 4.1028 4.1028 4.2887 4.2887 5.6120 5.6120 5.7572 5.7572 8.6809 8.6809 8.6866 8.6866 9.7665 9.7665 9.9143 9.9143 11.8026 11.8026 k = 0.3913 0.4769 0.2256 ( 6122 PWs) bands (ev): -20.3424 -20.3424 -20.3422 -20.3422 -5.2024 -5.2024 -5.1453 -5.1453 -4.6794 -4.6794 -4.4852 -4.4852 -4.2835 -4.2835 -4.2488 -4.2488 -4.0556 -4.0556 -3.9654 -3.9654 1.0780 1.0780 1.2299 1.2299 1.5733 1.5733 1.9620 1.9620 2.0687 2.0687 2.2322 2.2322 2.7518 2.7518 2.8814 2.8814 3.3467 3.3467 3.3688 3.3688 3.5549 3.5549 3.6492 3.6492 4.0315 4.0315 4.2149 4.2149 5.6210 5.6210 5.7715 5.7715 8.6866 8.6866 8.6906 8.6906 9.8563 9.8563 10.0341 10.0341 11.7867 11.7867 k = 0.3841 0.4895 0.2256 ( 6120 PWs) bands (ev): -20.3423 -20.3423 -20.3422 -20.3422 -5.2025 -5.2025 -5.1431 -5.1431 -4.6809 -4.6809 -4.4763 -4.4763 -4.2896 -4.2896 -4.2499 -4.2499 -4.0559 -4.0559 -3.9629 -3.9629 1.0736 1.0736 1.2311 1.2311 1.5727 1.5727 1.9597 1.9597 2.0991 2.0991 2.2406 2.2406 2.7458 2.7458 2.8727 2.8727 3.3690 3.3690 3.3829 3.3829 3.5473 3.5473 3.6498 3.6498 3.9647 3.9647 4.1427 4.1427 5.6298 5.6298 5.7851 5.7851 8.6911 8.6911 8.6937 8.6937 9.9377 9.9377 10.1472 10.1472 11.7748 11.7748 k = 0.3768 0.5020 0.2256 ( 6124 PWs) bands (ev): -20.3423 -20.3423 -20.3421 -20.3421 -5.2025 -5.2025 -5.1411 -5.1411 -4.6821 -4.6821 -4.4677 -4.4677 -4.2955 -4.2955 -4.2508 -4.2508 -4.0561 -4.0561 -3.9607 -3.9607 1.0698 1.0698 1.2326 1.2326 1.5718 1.5718 1.9578 1.9578 2.1277 2.1277 2.2480 2.2480 2.7408 2.7408 2.8637 2.8637 3.3935 3.3935 3.3975 3.3975 3.5396 3.5396 3.6505 3.6505 3.9032 3.9032 4.0731 4.0731 5.6382 5.6382 5.7976 5.7976 8.6944 8.6944 8.6959 8.6959 10.0092 10.0092 10.2503 10.2503 11.7674 11.7674 k = 0.3696 0.5146 0.2256 ( 6120 PWs) bands (ev): -20.3422 -20.3422 -20.3420 -20.3420 -5.2025 -5.2025 -5.1394 -5.1394 -4.6830 -4.6830 -4.4598 -4.4598 -4.3010 -4.3010 -4.2516 -4.2516 -4.0563 -4.0563 -3.9589 -3.9589 1.0666 1.0666 1.2343 1.2343 1.5706 1.5706 1.9563 1.9563 2.1538 2.1538 2.2541 2.2541 2.7368 2.7368 2.8549 2.8549 3.4126 3.4126 3.4198 3.4198 3.5317 3.5317 3.6517 3.6517 3.8480 3.8480 4.0069 4.0069 5.6459 5.6459 5.8088 5.8088 8.6967 8.6967 8.6974 8.6974 10.0695 10.0695 10.3405 10.3405 11.7647 11.7648 k = 0.3623 0.5271 0.2256 ( 6118 PWs) bands (ev): -20.3422 -20.3422 -20.3420 -20.3420 -5.2025 -5.2025 -5.1380 -5.1380 -4.6836 -4.6836 -4.4527 -4.4527 -4.3060 -4.3060 -4.2522 -4.2522 -4.0565 -4.0565 -3.9574 -3.9574 1.0641 1.0641 1.2361 1.2361 1.5691 1.5691 1.9551 1.9551 2.1765 2.1765 2.2590 2.2590 2.7338 2.7338 2.8466 2.8466 3.4280 3.4280 3.4472 3.4472 3.5237 3.5237 3.6534 3.6534 3.8001 3.8001 3.9450 3.9450 5.6528 5.6528 5.8184 5.8184 8.6981 8.6981 8.6981 8.6981 10.1180 10.1180 10.4151 10.4151 11.7666 11.7666 k = 0.3551 0.5397 0.2256 ( 6114 PWs) bands (ev): -20.3421 -20.3421 -20.3419 -20.3419 -5.2025 -5.2025 -5.1369 -5.1369 -4.6840 -4.6840 -4.4467 -4.4467 -4.3103 -4.3103 -4.2527 -4.2527 -4.0566 -4.0566 -3.9563 -3.9563 1.0623 1.0623 1.2378 1.2378 1.5676 1.5676 1.9543 1.9543 2.1952 2.1952 2.2628 2.2628 2.7316 2.7316 2.8393 2.8393 3.4434 3.4434 3.4743 3.4743 3.5154 3.5154 3.6562 3.6562 3.7607 3.7607 3.8891 3.8891 5.6585 5.6585 5.8263 5.8263 8.6984 8.6984 8.6987 8.6987 10.1546 10.1546 10.4725 10.4725 11.7721 11.7722 k = 0.3478 0.5522 0.2256 ( 6106 PWs) bands (ev): -20.3421 -20.3421 -20.3419 -20.3419 -5.2024 -5.2024 -5.1361 -5.1361 -4.6843 -4.6843 -4.4422 -4.4422 -4.3136 -4.3136 -4.2530 -4.2530 -4.0568 -4.0568 -3.9555 -3.9555 1.0610 1.0610 1.2393 1.2393 1.5662 1.5662 1.9537 1.9537 2.2092 2.2092 2.2654 2.2654 2.7301 2.7301 2.8335 2.8335 3.4580 3.4580 3.4986 3.4986 3.5069 3.5069 3.6603 3.6603 3.7310 3.7310 3.8416 3.8416 5.6629 5.6629 5.8323 5.8323 8.6982 8.6982 8.6989 8.6989 10.1796 10.1796 10.5121 10.5121 11.7791 11.7791 k = 0.3406 0.5648 0.2256 ( 6118 PWs) bands (ev): -20.3421 -20.3421 -20.3419 -20.3419 -5.2024 -5.2024 -5.1357 -5.1357 -4.6844 -4.6844 -4.4392 -4.4392 -4.3156 -4.3156 -4.2532 -4.2532 -4.0569 -4.0569 -3.9550 -3.9550 1.0603 1.0603 1.2404 1.2404 1.5652 1.5652 1.9534 1.9534 2.2177 2.2177 2.2669 2.2669 2.7294 2.7294 2.8298 2.8298 3.4704 3.4704 3.4986 3.4986 3.5161 3.5161 3.6652 3.6652 3.7124 3.7124 3.8076 3.8076 5.6657 5.6657 5.8360 5.8360 8.6980 8.6980 8.6987 8.6987 10.1938 10.1938 10.5346 10.5346 11.7850 11.7851 k = 0.3333 0.5774 0.2256 ( 6102 PWs) bands (ev): -20.3421 -20.3421 -20.3419 -20.3419 -5.2024 -5.2024 -5.1355 -5.1355 -4.6844 -4.6844 -4.4382 -4.4382 -4.3163 -4.3163 -4.2532 -4.2532 -4.0570 -4.0570 -3.9549 -3.9549 1.0600 1.0600 1.2408 1.2408 1.5648 1.5648 1.9533 1.9533 2.2206 2.2206 2.2673 2.2673 2.7291 2.7291 2.8284 2.8284 3.4765 3.4765 3.4941 3.4941 3.5226 3.5226 3.6677 3.6677 3.7061 3.7061 3.7946 3.7946 5.6667 5.6667 5.8372 5.8372 8.6978 8.6978 8.6986 8.6986 10.1983 10.1983 10.5417 10.5417 11.7848 11.7856 k = 0.3333 0.5774 0.2256 ( 6102 PWs) bands (ev): -20.3421 -20.3421 -20.3419 -20.3419 -5.2024 -5.2024 -5.1355 -5.1355 -4.6844 -4.6844 -4.4382 -4.4382 -4.3163 -4.3163 -4.2532 -4.2532 -4.0570 -4.0570 -3.9549 -3.9549 1.0600 1.0600 1.2408 1.2408 1.5648 1.5648 1.9533 1.9533 2.2206 2.2206 2.2673 2.2673 2.7291 2.7291 2.8284 2.8284 3.4765 3.4765 3.4941 3.4941 3.5226 3.5226 3.6677 3.6677 3.7061 3.7061 3.7946 3.7946 5.6667 5.6667 5.8372 5.8372 8.6978 8.6978 8.6986 8.6986 10.1983 10.1983 10.5417 10.5417 11.7850 11.7873 k = 0.3259 0.5645 0.2256 ( 6114 PWs) bands (ev): -20.3421 -20.3421 -20.3419 -20.3419 -5.2024 -5.2024 -5.1357 -5.1357 -4.6844 -4.6844 -4.4393 -4.4393 -4.3156 -4.3156 -4.2532 -4.2532 -4.0569 -4.0569 -3.9550 -3.9550 1.0602 1.0602 1.2403 1.2403 1.5653 1.5653 1.9534 1.9534 2.2177 2.2177 2.2669 2.2669 2.7293 2.7293 2.8299 2.8299 3.4713 3.4713 3.4979 3.4979 3.5160 3.5160 3.6653 3.6653 3.7126 3.7126 3.8079 3.8079 5.6656 5.6656 5.8358 5.8358 8.6981 8.6981 8.6989 8.6989 10.1940 10.1940 10.5351 10.5351 11.7845 11.7846 k = 0.3185 0.5517 0.2256 ( 6116 PWs) bands (ev): -20.3421 -20.3421 -20.3419 -20.3419 -5.2024 -5.2024 -5.1361 -5.1361 -4.6844 -4.6844 -4.4424 -4.4424 -4.3135 -4.3135 -4.2530 -4.2530 -4.0567 -4.0567 -3.9554 -3.9554 1.0609 1.0609 1.2387 1.2387 1.5669 1.5669 1.9536 1.9536 2.2091 2.2091 2.2655 2.2655 2.7300 2.7300 2.8341 2.8341 3.4623 3.4623 3.4985 3.4985 3.5033 3.5033 3.6611 3.6611 3.7314 3.7314 3.8424 3.8424 5.6622 5.6622 5.8315 5.8315 8.6991 8.6991 8.6997 8.6997 10.1819 10.1819 10.5168 10.5168 11.7757 11.7757 k = 0.3111 0.5389 0.2256 ( 6116 PWs) bands (ev): -20.3421 -20.3421 -20.3420 -20.3420 -5.2025 -5.2025 -5.1369 -5.1369 -4.6846 -4.6846 -4.4475 -4.4475 -4.3104 -4.3104 -4.2528 -4.2528 -4.0562 -4.0562 -3.9561 -3.9561 1.0618 1.0618 1.2358 1.2358 1.5698 1.5698 1.9538 1.9538 2.1955 2.1955 2.2632 2.2632 2.7310 2.7310 2.8409 2.8409 3.4537 3.4537 3.4753 3.4753 3.5079 3.5079 3.6582 3.6582 3.7607 3.7607 3.8899 3.8899 5.6563 5.6563 5.8241 5.8241 8.7011 8.7011 8.7016 8.7016 10.1629 10.1629 10.4890 10.4890 11.7618 11.7618 k = 0.3037 0.5260 0.2256 ( 6116 PWs) bands (ev): -20.3422 -20.3422 -20.3420 -20.3420 -5.2025 -5.2025 -5.1379 -5.1379 -4.6849 -4.6849 -4.4542 -4.4542 -4.3065 -4.3065 -4.2525 -4.2525 -4.0555 -4.0555 -3.9569 -3.9569 1.0629 1.0629 1.2315 1.2315 1.5741 1.5741 1.9539 1.9539 2.1778 2.1778 2.2601 2.2601 2.7323 2.7323 2.8501 2.8501 3.4467 3.4467 3.4510 3.4510 3.5119 3.5119 3.6569 3.6569 3.7989 3.7989 3.9458 3.9458 5.6477 5.6477 5.8136 5.8136 8.7044 8.7044 8.7047 8.7047 10.1381 10.1381 10.4532 10.4532 11.7445 11.7445 k = 0.2963 0.5132 0.2256 ( 6124 PWs) bands (ev): -20.3423 -20.3423 -20.3421 -20.3421 -5.2026 -5.2026 -5.1392 -5.1392 -4.6855 -4.6855 -4.4623 -4.4623 -4.3020 -4.3020 -4.2522 -4.2522 -4.0545 -4.0545 -3.9579 -3.9579 1.0642 1.0642 1.2260 1.2260 1.5798 1.5798 1.9539 1.9539 2.1571 2.1571 2.2562 2.2562 2.7342 2.7342 2.8612 2.8612 3.4283 3.4283 3.4416 3.4416 3.5161 3.5161 3.6570 3.6570 3.8446 3.8446 4.0078 4.0078 5.6364 5.6364 5.7998 5.7998 8.7094 8.7094 8.7094 8.7094 10.1083 10.1083 10.4110 10.4110 11.7251 11.7251 k = 0.2889 0.5004 0.2256 ( 6112 PWs) bands (ev): -20.3423 -20.3423 -20.3422 -20.3422 -5.2028 -5.2028 -5.1407 -5.1407 -4.6864 -4.6864 -4.4717 -4.4717 -4.2974 -4.2974 -4.2519 -4.2519 -4.0531 -4.0531 -3.9590 -3.9590 1.0656 1.0656 1.2191 1.2191 1.5866 1.5866 1.9535 1.9535 2.1342 2.1342 2.2515 2.2515 2.7365 2.7365 2.8737 2.8737 3.4089 3.4089 3.4389 3.4389 3.5208 3.5208 3.6580 3.6580 3.8968 3.8968 4.0746 4.0746 5.6223 5.6223 5.7826 5.7826 8.7160 8.7160 8.7163 8.7163 10.0740 10.0740 10.3634 10.3634 11.7043 11.7043 k = 0.2815 0.4875 0.2256 ( 6110 PWs) bands (ev): -20.3425 -20.3425 -20.3423 -20.3423 -5.2029 -5.2029 -5.1424 -5.1424 -4.6876 -4.6876 -4.4823 -4.4823 -4.2926 -4.2926 -4.2515 -4.2515 -4.0514 -4.0514 -3.9602 -3.9602 1.0669 1.0669 1.2111 1.2111 1.5946 1.5946 1.9527 1.9527 2.1103 2.1103 2.2458 2.2458 2.7396 2.7396 2.8875 2.8875 3.3937 3.3937 3.4386 3.4386 3.5265 3.5265 3.6598 3.6598 3.9546 3.9546 4.1454 4.1454 5.6053 5.6053 5.7622 5.7622 8.7246 8.7246 8.7253 8.7253 10.0359 10.0359 10.3112 10.3112 11.6816 11.6816 k = 0.2741 0.4747 0.2256 ( 6106 PWs) bands (ev): -20.3426 -20.3426 -20.3424 -20.3424 -5.2031 -5.2031 -5.1444 -5.1444 -4.6893 -4.6893 -4.4937 -4.4937 -4.2880 -4.2880 -4.2511 -4.2511 -4.0492 -4.0492 -3.9613 -3.9613 1.0681 1.0681 1.2022 1.2022 1.6033 1.6033 1.9510 1.9510 2.0863 2.0863 2.2392 2.2392 2.7436 2.7436 2.9020 2.9020 3.3831 3.3831 3.4409 3.4409 3.5334 3.5334 3.6625 3.6625 4.0176 4.0176 4.2197 4.2197 5.5854 5.5854 5.7386 5.7386 8.7354 8.7354 8.7367 8.7367 9.9944 9.9944 10.2552 10.2552 11.6550 11.6550 k = 0.2667 0.4619 0.2256 ( 6102 PWs) bands (ev): -20.3427 -20.3427 -20.3426 -20.3426 -5.2034 -5.2034 -5.1466 -5.1466 -4.6914 -4.6914 -4.5061 -4.5061 -4.2835 -4.2835 -4.2507 -4.2507 -4.0466 -4.0466 -3.9624 -3.9624 1.0691 1.0691 1.1925 1.1925 1.6125 1.6125 1.9478 1.9478 2.0634 2.0634 2.2316 2.2316 2.7487 2.7487 2.9169 2.9169 3.3774 3.3774 3.4456 3.4456 3.5421 3.5421 3.6662 3.6662 4.0851 4.0851 4.2970 4.2970 5.5627 5.5627 5.7119 5.7119 8.7486 8.7486 8.7507 8.7507 9.9498 9.9498 10.1958 10.1958 11.6205 11.6205 k = 0.2593 0.4491 0.2256 ( 6110 PWs) bands (ev): -20.3429 -20.3429 -20.3427 -20.3427 -5.2037 -5.2037 -5.1490 -5.1490 -4.6941 -4.6941 -4.5192 -4.5192 -4.2792 -4.2792 -4.2503 -4.2503 -4.0437 -4.0437 -3.9635 -3.9635 1.0699 1.0699 1.1823 1.1823 1.6219 1.6219 1.9424 1.9424 2.0429 2.0429 2.2231 2.2231 2.7551 2.7551 2.9319 2.9319 3.3765 3.3765 3.4525 3.4525 3.5532 3.5532 3.6711 3.6711 4.1567 4.1567 4.3769 4.3769 5.5372 5.5372 5.6822 5.6822 8.7643 8.7643 8.7673 8.7673 9.9025 9.9025 10.1335 10.1335 11.5738 11.5738 k = 0.2519 0.4362 0.2256 ( 6106 PWs) bands (ev): -20.3431 -20.3431 -20.3429 -20.3429 -5.2042 -5.2042 -5.1516 -5.1516 -4.6973 -4.6973 -4.5330 -4.5330 -4.2751 -4.2751 -4.2498 -4.2498 -4.0404 -4.0404 -3.9644 -3.9644 1.0703 1.0703 1.1718 1.1718 1.6312 1.6312 1.9336 1.9336 2.0262 2.0262 2.2137 2.2137 2.7629 2.7629 2.9467 2.9467 3.3803 3.3803 3.4610 3.4610 3.5676 3.5676 3.6774 3.6774 4.2320 4.2320 4.4592 4.4592 5.5092 5.5092 5.6499 5.6499 8.7824 8.7824 8.7867 8.7867 9.8528 9.8528 10.0687 10.0687 11.5133 11.5133 k = 0.2444 0.4234 0.2256 ( 6104 PWs) bands (ev): -20.3433 -20.3433 -20.3431 -20.3431 -5.2047 -5.2047 -5.1545 -5.1545 -4.7011 -4.7011 -4.5474 -4.5474 -4.2712 -4.2712 -4.2492 -4.2492 -4.0367 -4.0367 -3.9653 -3.9653 1.0704 1.0704 1.1611 1.1611 1.6401 1.6401 1.9208 1.9208 2.0143 2.0143 2.2034 2.2034 2.7724 2.7724 2.9610 2.9610 3.3884 3.3884 3.4704 3.4704 3.5864 3.5864 3.6856 3.6856 4.3106 4.3106 4.5435 4.5435 5.4787 5.4787 5.6151 5.6151 8.8029 8.8029 8.8089 8.8089 9.8008 9.8008 10.0018 10.0018 11.4426 11.4426 k = 0.2370 0.4106 0.2256 ( 6096 PWs) bands (ev): -20.3435 -20.3435 -20.3433 -20.3433 -5.2054 -5.2054 -5.1576 -5.1576 -4.7054 -4.7054 -4.5623 -4.5623 -4.2675 -4.2675 -4.2485 -4.2485 -4.0328 -4.0328 -3.9659 -3.9659 1.0700 1.0700 1.1504 1.1504 1.6484 1.6484 1.9045 1.9045 2.0070 2.0070 2.1925 2.1925 2.7834 2.7834 2.9745 2.9745 3.4001 3.4001 3.4799 3.4799 3.6108 3.6108 3.6965 3.6965 4.3919 4.3919 4.6293 4.6293 5.4462 5.4462 5.5785 5.5785 8.8258 8.8258 8.8339 8.8339 9.7469 9.7469 9.9330 9.9330 11.3665 11.3665 k = 0.2296 0.3977 0.2256 ( 6106 PWs) bands (ev): -20.3437 -20.3437 -20.3436 -20.3436 -5.2063 -5.2063 -5.1610 -5.1610 -4.7102 -4.7102 -4.5777 -4.5777 -4.2639 -4.2639 -4.2477 -4.2477 -4.0287 -4.0287 -3.9665 -3.9665 1.0693 1.0693 1.1398 1.1398 1.6559 1.6559 1.8858 1.8858 2.0031 2.0031 2.1811 2.1811 2.7959 2.7959 2.9870 2.9870 3.4147 3.4147 3.4888 3.4888 3.6416 3.6416 3.7106 3.7106 4.4756 4.4756 4.7160 4.7160 5.4119 5.4119 5.5404 5.5404 8.8508 8.8508 8.8616 8.8616 9.6911 9.6911 9.8627 9.8627 11.2887 11.2887 k = 0.2222 0.3849 0.2256 ( 6102 PWs) bands (ev): -20.3440 -20.3440 -20.3438 -20.3438 -5.2074 -5.2074 -5.1647 -5.1647 -4.7156 -4.7156 -4.5933 -4.5933 -4.2604 -4.2604 -4.2467 -4.2467 -4.0245 -4.0245 -3.9669 -3.9669 1.0681 1.0681 1.1295 1.1295 1.6625 1.6625 1.8662 1.8662 2.0016 2.0016 2.1694 2.1694 2.8099 2.8099 2.9986 2.9986 3.4313 3.4313 3.4967 3.4967 3.6792 3.6792 3.7292 3.7292 4.5609 4.5609 4.8027 4.8027 5.3763 5.3763 5.5019 5.5019 8.8776 8.8776 8.8920 8.8920 9.6338 9.6338 9.7913 9.7913 11.2116 11.2116 k = 0.2148 0.3721 0.2256 ( 6102 PWs) bands (ev): -20.3443 -20.3443 -20.3441 -20.3441 -5.2087 -5.2087 -5.1687 -5.1687 -4.7213 -4.7213 -4.6091 -4.6091 -4.2570 -4.2570 -4.2455 -4.2455 -4.0202 -4.0202 -3.9671 -3.9671 1.0666 1.0666 1.1194 1.1194 1.6679 1.6679 1.8463 1.8463 2.0016 2.0016 2.1576 2.1576 2.8251 2.8251 3.0091 3.0091 3.4485 3.4485 3.5036 3.5036 3.7238 3.7238 3.7533 3.7533 4.6471 4.6471 4.8879 4.8879 5.3403 5.3403 5.4646 5.4646 8.9058 8.9058 8.9247 8.9247 9.5750 9.5750 9.7193 9.7193 11.1365 11.1365 k = 0.2074 0.3592 0.2256 ( 6096 PWs) bands (ev): -20.3445 -20.3445 -20.3444 -20.3444 -5.2103 -5.2103 -5.1730 -5.1730 -4.7274 -4.7274 -4.6250 -4.6250 -4.2536 -4.2536 -4.2441 -4.2441 -4.0158 -4.0158 -3.9673 -3.9673 1.0646 1.0646 1.1097 1.1097 1.6722 1.6722 1.8267 1.8267 2.0027 2.0027 2.1461 2.1461 2.8413 2.8413 3.0187 3.0187 3.4652 3.4652 3.5096 3.5096 3.7752 3.7752 3.7841 3.7841 4.7328 4.7328 4.9686 4.9686 5.3051 5.3051 5.4314 5.4314 8.9348 8.9348 8.9596 8.9596 9.5151 9.5151 9.6474 9.6474 11.0644 11.0644 k = 0.2000 0.3464 0.2256 ( 6108 PWs) bands (ev): -20.3448 -20.3448 -20.3447 -20.3447 -5.2123 -5.2123 -5.1777 -5.1777 -4.7338 -4.7338 -4.6408 -4.6408 -4.2501 -4.2501 -4.2425 -4.2425 -4.0116 -4.0116 -3.9673 -3.9673 1.0622 1.0622 1.1004 1.1004 1.6754 1.6754 1.8077 1.8077 2.0046 2.0046 2.1350 2.1350 2.8583 2.8583 3.0276 3.0276 3.4804 3.4804 3.5147 3.5147 3.8224 3.8224 3.8330 3.8330 4.8156 4.8156 5.0389 5.0389 5.2733 5.2733 5.4084 5.4084 8.9633 8.9633 8.9962 8.9962 9.4545 9.4545 9.5768 9.5768 10.9958 10.9958 k = 0.1926 0.3336 0.2256 ( 6108 PWs) bands (ev): -20.3452 -20.3452 -20.3450 -20.3450 -5.2146 -5.2146 -5.1828 -5.1828 -4.7404 -4.7404 -4.6564 -4.6564 -4.2467 -4.2467 -4.2406 -4.2406 -4.0074 -4.0074 -3.9673 -3.9673 1.0594 1.0594 1.0914 1.0914 1.6773 1.6773 1.7896 1.7896 2.0071 2.0071 2.1245 2.1245 2.8760 2.8760 3.0358 3.0358 3.4935 3.4935 3.5192 3.5192 3.8688 3.8688 3.8968 3.8968 4.8901 4.8901 5.0872 5.0872 5.2500 5.2500 5.4072 5.4072 8.9894 8.9894 9.0333 9.0333 9.3940 9.3940 9.5093 9.5093 10.9311 10.9311 k = 0.1852 0.3208 0.2256 ( 6100 PWs) bands (ev): -20.3455 -20.3455 -20.3453 -20.3453 -5.2174 -5.2174 -5.1884 -5.1884 -4.7470 -4.7470 -4.6717 -4.6717 -4.2431 -4.2431 -4.2384 -4.2384 -4.0033 -4.0033 -3.9672 -3.9672 1.0563 1.0563 1.0828 1.0828 1.6782 1.6782 1.7725 1.7725 2.0101 2.0101 2.1148 2.1148 2.8942 2.8942 3.0436 3.0436 3.5043 3.5043 3.5230 3.5230 3.9232 3.9232 3.9664 3.9664 4.9458 4.9458 5.1022 5.1022 5.2460 5.2460 5.4393 5.4393 9.0098 9.0098 9.0689 9.0689 9.3356 9.3356 9.4482 9.4482 10.8708 10.8708 k = 0.1778 0.3079 0.2256 ( 6102 PWs) bands (ev): -20.3458 -20.3458 -20.3456 -20.3456 -5.2206 -5.2206 -5.1944 -5.1944 -4.7537 -4.7537 -4.6866 -4.6866 -4.2395 -4.2395 -4.2360 -4.2360 -3.9994 -3.9994 -3.9670 -3.9670 1.0528 1.0528 1.0746 1.0746 1.6781 1.6781 1.7565 1.7565 2.0135 2.0135 2.1060 2.1060 2.9128 2.9128 3.0511 3.0511 3.5129 3.5129 3.5264 3.5264 3.9853 3.9853 4.0412 4.0412 4.9691 4.9691 5.0871 5.0871 5.2748 5.2748 5.5013 5.5013 9.0187 9.0187 9.0967 9.0967 9.2853 9.2853 9.3991 9.3991 10.8150 10.8150 k = 0.1704 0.2951 0.2256 ( 6098 PWs) bands (ev): -20.3461 -20.3461 -20.3460 -20.3460 -5.2244 -5.2244 -5.2008 -5.2008 -4.7602 -4.7602 -4.7009 -4.7009 -4.2358 -4.2358 -4.2332 -4.2332 -3.9958 -3.9958 -3.9669 -3.9669 1.0491 1.0491 1.0668 1.0668 1.6770 1.6770 1.7415 1.7415 2.0172 2.0172 2.0982 2.0982 2.9316 2.9316 3.0586 3.0586 3.5196 3.5196 3.5292 3.5292 4.0545 4.0545 4.1209 4.1209 4.9607 4.9607 5.0546 5.0546 5.3359 5.3359 5.5808 5.5808 9.0087 9.0087 9.0996 9.0996 9.2600 9.2600 9.3692 9.3692 10.7641 10.7641 k = 0.1630 0.2823 0.2256 ( 6102 PWs) bands (ev): -20.3465 -20.3465 -20.3463 -20.3463 -5.2286 -5.2286 -5.2077 -5.2077 -4.7666 -4.7666 -4.7145 -4.7145 -4.2319 -4.2319 -4.2302 -4.2302 -3.9924 -3.9924 -3.9668 -3.9668 1.0450 1.0450 1.0592 1.0592 1.6752 1.6752 1.7277 1.7277 2.0212 2.0212 2.0914 2.0914 2.9506 2.9506 3.0662 3.0662 3.5247 3.5247 3.5316 3.5316 4.1300 4.1300 4.2048 4.2048 4.9338 4.9338 5.0137 5.0137 5.4161 5.4161 5.6688 5.6688 8.9755 8.9755 9.0638 9.0638 9.2728 9.2728 9.3625 9.3625 10.7183 10.7183 k = 0.1556 0.2694 0.2256 ( 6104 PWs) bands (ev): -20.3468 -20.3468 -20.3467 -20.3467 -5.2334 -5.2334 -5.2151 -5.2151 -4.7727 -4.7727 -4.7273 -4.7273 -4.2280 -4.2280 -4.2270 -4.2270 -3.9893 -3.9893 -3.9667 -3.9667 1.0406 1.0406 1.0520 1.0520 1.6729 1.6729 1.7151 1.7151 2.0253 2.0253 2.0857 2.0857 2.9698 2.9698 3.0740 3.0740 3.5284 3.5284 3.5335 3.5335 4.2109 4.2109 4.2921 4.2921 4.8987 4.8987 4.9691 4.9691 5.5057 5.5057 5.7610 5.7610 8.9223 8.9223 9.0053 9.0053 9.3074 9.3074 9.3757 9.3757 10.6778 10.6778 k = 0.1481 0.2566 0.2256 ( 6108 PWs) bands (ev): -20.3472 -20.3472 -20.3470 -20.3470 -5.2388 -5.2388 -5.2228 -5.2228 -4.7784 -4.7784 -4.7392 -4.7392 -4.2240 -4.2240 -4.2235 -4.2235 -3.9865 -3.9865 -3.9667 -3.9667 1.0360 1.0360 1.0449 1.0449 1.6701 1.6701 1.7036 1.7036 2.0295 2.0295 2.0810 2.0810 2.9890 2.9890 3.0822 3.0822 3.5311 3.5311 3.5350 3.5350 4.2961 4.2961 4.3817 4.3817 4.8612 4.8612 4.9237 4.9237 5.5999 5.5999 5.8550 5.8550 8.8556 8.8556 8.9376 8.9376 9.3499 9.3499 9.4016 9.4016 10.6430 10.6430 k = 0.1407 0.2438 0.2256 ( 6096 PWs) bands (ev): -20.3475 -20.3475 -20.3474 -20.3474 -5.2447 -5.2447 -5.2309 -5.2309 -4.7838 -4.7838 -4.7503 -4.7503 -4.2198 -4.2198 -4.2197 -4.2197 -3.9840 -3.9840 -3.9668 -3.9668 1.0312 1.0312 1.0381 1.0381 1.6671 1.6671 1.6934 1.6934 2.0338 2.0338 2.0773 2.0773 3.0083 3.0083 3.0908 3.0908 3.5330 3.5330 3.5361 3.5361 4.3835 4.3835 4.4705 4.4705 4.8260 4.8260 4.8801 4.8801 5.6962 5.6962 5.9496 5.9496 8.7806 8.7806 8.8650 8.8650 9.3950 9.3950 9.4347 9.4347 10.6142 10.6142 k = 0.1333 0.2309 0.2256 ( 6090 PWs) bands (ev): -20.3479 -20.3479 -20.3477 -20.3477 -5.2510 -5.2510 -5.2394 -5.2394 -4.7887 -4.7887 -4.7603 -4.7603 -4.2159 -4.2159 -4.2155 -4.2155 -3.9818 -3.9818 -3.9670 -3.9670 1.0262 1.0262 1.0314 1.0314 1.6639 1.6639 1.6843 1.6843 2.0381 2.0381 2.0745 2.0745 3.0276 3.0276 3.1000 3.1000 3.5341 3.5341 3.5368 3.5368 4.4692 4.4692 4.5506 4.5506 4.8022 4.8022 4.8428 4.8428 5.7934 5.7934 6.0438 6.0438 8.7003 8.7003 8.7890 8.7890 9.4408 9.4408 9.4713 9.4713 10.5917 10.5917 k = 0.1259 0.2181 0.2256 ( 6094 PWs) bands (ev): -20.3482 -20.3482 -20.3480 -20.3480 -5.2578 -5.2578 -5.2481 -5.2481 -4.7932 -4.7932 -4.7694 -4.7694 -4.2118 -4.2118 -4.2112 -4.2112 -3.9799 -3.9799 -3.9672 -3.9672 1.0210 1.0210 1.0249 1.0249 1.6608 1.6608 1.6764 1.6764 2.0424 2.0424 2.0725 2.0725 3.0470 3.0470 3.1099 3.1099 3.5346 3.5346 3.5371 3.5371 4.5427 4.5427 4.5998 4.5998 4.8123 4.8123 4.8223 4.8223 5.8905 5.8905 6.1368 6.1368 8.6165 8.6165 8.7100 8.7100 9.4859 9.4859 9.5091 9.5091 10.5759 10.5759 k = 0.1185 0.2053 0.2256 ( 6102 PWs) bands (ev): -20.3485 -20.3485 -20.3484 -20.3484 -5.2650 -5.2650 -5.2569 -5.2569 -4.7972 -4.7972 -4.7776 -4.7776 -4.2076 -4.2076 -4.2069 -4.2069 -3.9784 -3.9784 -3.9676 -3.9676 1.0157 1.0157 1.0186 1.0186 1.6578 1.6578 1.6695 1.6695 2.0466 2.0466 2.0712 2.0712 3.0664 3.0664 3.1204 3.1204 3.5345 3.5345 3.5369 3.5369 4.5821 4.5821 4.6002 4.6002 4.8405 4.8405 4.8746 4.8746 5.9870 5.9870 6.2281 6.2281 8.5300 8.5300 8.6282 8.6282 9.5294 9.5294 9.5464 9.5464 10.5671 10.5671 k = 0.1111 0.1925 0.2256 ( 6102 PWs) bands (ev): -20.3489 -20.3489 -20.3487 -20.3487 -5.2724 -5.2724 -5.2659 -5.2659 -4.8008 -4.8008 -4.7848 -4.7848 -4.2032 -4.2032 -4.2025 -4.2025 -3.9771 -3.9771 -3.9681 -3.9681 1.0103 1.0103 1.0124 1.0124 1.6551 1.6551 1.6637 1.6637 2.0507 2.0507 2.0705 2.0705 3.0858 3.0858 3.1316 3.1316 3.5340 3.5340 3.5364 3.5364 4.5728 4.5728 4.5776 4.5776 4.9073 4.9073 4.9680 4.9680 6.0822 6.0822 6.3170 6.3170 8.4413 8.4413 8.5435 8.5435 9.5704 9.5704 9.5822 9.5822 10.5655 10.5655 k = 0.1037 0.1796 0.2256 ( 6094 PWs) bands (ev): -20.3492 -20.3492 -20.3490 -20.3490 -5.2801 -5.2801 -5.2748 -5.2748 -4.8040 -4.8040 -4.7910 -4.7910 -4.1989 -4.1989 -4.1981 -4.1981 -3.9762 -3.9762 -3.9687 -3.9687 1.0048 1.0048 1.0064 1.0064 1.6526 1.6526 1.6589 1.6589 2.0546 2.0546 2.0704 2.0704 3.1053 3.1053 3.1436 3.1436 3.5331 3.5331 3.5354 3.5354 4.5361 4.5361 4.5486 4.5486 5.0032 5.0032 5.0743 5.0743 6.1755 6.1755 6.4030 6.4030 8.3507 8.3507 8.4558 8.4558 9.6081 9.6081 9.6156 9.6156 10.5713 10.5713 k = 0.0963 0.1668 0.2256 ( 6100 PWs) bands (ev): -20.3495 -20.3495 -20.3493 -20.3493 -5.2878 -5.2878 -5.2837 -5.2837 -4.8067 -4.8067 -4.7965 -4.7965 -4.1945 -4.1945 -4.1937 -4.1937 -3.9755 -3.9755 -3.9694 -3.9694 0.9994 0.9994 1.0005 1.0005 1.6505 1.6505 1.6550 1.6550 2.0584 2.0584 2.0707 2.0707 3.1247 3.1247 3.1562 3.1562 3.5318 3.5318 3.5340 3.5340 4.4965 4.4965 4.5106 4.5106 5.1126 5.1126 5.1869 5.1869 6.2665 6.2665 6.4854 6.4854 8.2582 8.2582 8.3650 8.3650 9.6419 9.6419 9.6458 9.6458 10.5842 10.5842 k = 0.0889 0.1540 0.2256 ( 6104 PWs) bands (ev): -20.3498 -20.3498 -20.3496 -20.3496 -5.2955 -5.2955 -5.2923 -5.2923 -4.8091 -4.8091 -4.8011 -4.8011 -4.1901 -4.1901 -4.1894 -4.1894 -3.9751 -3.9751 -3.9702 -3.9702 0.9941 0.9941 0.9948 0.9948 1.6487 1.6487 1.6518 1.6518 2.0619 2.0619 2.0714 2.0714 3.1440 3.1440 3.1695 3.1695 3.5300 3.5300 3.5322 3.5322 4.4564 4.4564 4.4699 4.4699 5.2294 5.2294 5.3034 5.3034 6.3545 6.3545 6.5637 6.5637 8.1640 8.1640 8.2710 8.2710 9.6716 9.6716 9.6724 9.6724 10.6039 10.6039 k = 0.0815 0.1411 0.2256 ( 6104 PWs) bands (ev): -20.3500 -20.3500 -20.3499 -20.3499 -5.3031 -5.3031 -5.3007 -5.3007 -4.8111 -4.8111 -4.8050 -4.8050 -4.1858 -4.1858 -4.1852 -4.1852 -3.9749 -3.9749 -3.9711 -3.9711 0.9889 0.9889 0.9894 0.9894 1.6473 1.6473 1.6494 1.6494 2.0652 2.0652 2.0724 2.0724 3.1632 3.1632 3.1834 3.1834 3.5279 3.5279 3.5299 3.5299 4.4170 4.4170 4.4289 4.4289 5.3510 5.3510 5.4228 5.4228 6.4392 6.4392 6.6372 6.6372 8.0680 8.0680 8.1737 8.1737 9.6955 9.6955 9.6969 9.6969 10.6295 10.6295 k = 0.0741 0.1283 0.2256 ( 6104 PWs) bands (ev): -20.3503 -20.3503 -20.3501 -20.3501 -5.3104 -5.3104 -5.3086 -5.3086 -4.8128 -4.8128 -4.8083 -4.8083 -4.1816 -4.1816 -4.1811 -4.1811 -3.9749 -3.9749 -3.9720 -3.9720 0.9839 0.9839 0.9842 0.9842 1.6463 1.6463 1.6476 1.6476 2.0683 2.0683 2.0735 2.0735 3.1821 3.1821 3.1977 3.1977 3.5254 3.5254 3.5272 3.5272 4.3790 4.3790 4.3890 4.3890 5.4760 5.4760 5.5441 5.5441 6.5199 6.5199 6.7054 6.7054 7.9701 7.9701 8.0729 8.0729 9.7150 9.7150 9.7178 9.7178 10.6598 10.6598 k = 0.0667 0.1155 0.2256 ( 6094 PWs) bands (ev): -20.3505 -20.3505 -20.3504 -20.3504 -5.3174 -5.3174 -5.3161 -5.3161 -4.8143 -4.8143 -4.8110 -4.8110 -4.1777 -4.1777 -4.1772 -4.1772 -3.9751 -3.9751 -3.9730 -3.9730 0.9792 0.9792 0.9794 0.9794 1.6455 1.6455 1.6464 1.6464 2.0711 2.0711 2.0748 2.0748 3.2007 3.2007 3.2124 3.2124 3.5226 3.5226 3.5240 3.5240 4.3429 4.3429 4.3509 4.3509 5.6036 5.6036 5.6669 5.6669 6.5960 6.5960 6.7677 6.7677 7.8706 7.8706 7.9688 7.9688 9.7313 9.7313 9.7348 9.7348 10.6930 10.6930 k = 0.0593 0.1026 0.2256 ( 6094 PWs) bands (ev): -20.3508 -20.3508 -20.3506 -20.3506 -5.3239 -5.3239 -5.3230 -5.3230 -4.8155 -4.8155 -4.8132 -4.8132 -4.1739 -4.1739 -4.1735 -4.1735 -3.9755 -3.9755 -3.9739 -3.9739 0.9748 0.9748 0.9749 0.9749 1.6450 1.6450 1.6455 1.6455 2.0736 2.0736 2.0762 2.0762 3.2189 3.2189 3.2273 3.2273 3.5193 3.5193 3.5205 3.5205 4.3091 4.3091 4.3152 4.3152 5.7331 5.7331 5.7906 5.7906 6.6671 6.6671 6.8234 6.8234 7.7693 7.7693 7.8614 7.8614 9.7446 9.7446 9.7481 9.7481 10.7270 10.7270 k = 0.0519 0.0898 0.2256 ( 6094 PWs) bands (ev): -20.3510 -20.3510 -20.3508 -20.3508 -5.3299 -5.3299 -5.3293 -5.3293 -4.8165 -4.8165 -4.8150 -4.8150 -4.1704 -4.1704 -4.1701 -4.1701 -3.9759 -3.9759 -3.9749 -3.9749 0.9707 0.9707 0.9708 0.9708 1.6447 1.6447 1.6450 1.6450 2.0759 2.0759 2.0776 2.0776 3.2363 3.2363 3.2421 3.2421 3.5156 3.5156 3.5165 3.5165 4.2781 4.2781 4.2825 4.2825 5.8638 5.8638 5.9146 5.9146 6.7324 6.7324 6.8719 6.8719 7.6666 7.6666 7.7510 7.7510 9.7553 9.7553 9.7585 9.7585 10.7595 10.7595 k = 0.0444 0.0770 0.2256 ( 6086 PWs) bands (ev): -20.3511 -20.3511 -20.3510 -20.3510 -5.3352 -5.3352 -5.3349 -5.3349 -4.8173 -4.8173 -4.8163 -4.8163 -4.1673 -4.1673 -4.1670 -4.1670 -3.9764 -3.9764 -3.9757 -3.9757 0.9671 0.9671 0.9671 0.9671 1.6446 1.6446 1.6448 1.6448 2.0778 2.0778 2.0789 2.0789 3.2527 3.2527 3.2564 3.2564 3.5117 3.5117 3.5123 3.5123 4.2501 4.2501 4.2531 4.2531 5.9951 5.9951 6.0384 6.0384 6.7915 6.7915 6.9127 6.9127 7.5628 7.5628 7.6381 7.6381 9.7638 9.7638 9.7663 9.7663 10.7876 10.7876 k = 0.0370 0.0642 0.2256 ( 6078 PWs) bands (ev): -20.3513 -20.3513 -20.3511 -20.3511 -5.3399 -5.3399 -5.3397 -5.3397 -4.8179 -4.8179 -4.8174 -4.8174 -4.1645 -4.1645 -4.1643 -4.1643 -3.9770 -3.9770 -3.9765 -3.9765 0.9640 0.9640 0.9640 0.9640 1.6446 1.6446 1.6447 1.6447 2.0795 2.0795 2.0801 2.0801 3.2678 3.2678 3.2701 3.2701 3.5076 3.5076 3.5080 3.5080 4.2257 4.2257 4.2275 4.2275 6.1260 6.1260 6.1612 6.1612 6.8434 6.8434 6.9448 6.9448 7.4589 7.4589 7.5237 7.5237 9.7704 9.7704 9.7721 9.7721 10.8090 10.8090 k = 0.0296 0.0513 0.2256 ( 6066 PWs) bands (ev): -20.3514 -20.3514 -20.3512 -20.3512 -5.3438 -5.3438 -5.3437 -5.3437 -4.8185 -4.8185 -4.8182 -4.8182 -4.1622 -4.1622 -4.1620 -4.1620 -3.9775 -3.9775 -3.9772 -3.9772 0.9613 0.9613 0.9613 0.9613 1.6447 1.6447 1.6447 1.6447 2.0808 2.0808 2.0811 2.0811 3.2813 3.2813 3.2824 3.2824 3.5035 3.5035 3.5037 3.5037 4.2050 4.2050 4.2060 4.2060 6.2554 6.2554 6.2818 6.2818 6.8872 6.8872 6.9669 6.9669 7.3567 7.3567 7.4093 7.4093 9.7754 9.7754 9.7764 9.7764 10.8223 10.8224 k = 0.0222 0.0385 0.2256 ( 6048 PWs) bands (ev): -20.3515 -20.3515 -20.3513 -20.3513 -5.3469 -5.3469 -5.3468 -5.3468 -4.8189 -4.8189 -4.8187 -4.8187 -4.1604 -4.1604 -4.1602 -4.1602 -3.9779 -3.9779 -3.9778 -3.9778 0.9593 0.9593 0.9593 0.9593 1.6448 1.6448 1.6448 1.6448 2.0818 2.0818 2.0820 2.0820 3.2925 3.2925 3.2930 3.2930 3.4996 3.4996 3.4997 3.4997 4.1885 4.1885 4.1889 4.1889 6.3809 6.3809 6.3983 6.3983 6.9210 6.9210 6.9768 6.9768 7.2604 7.2604 7.2985 7.2985 9.7789 9.7789 9.7794 9.7794 10.8282 10.8339 k = 0.0148 0.0257 0.2256 ( 6040 PWs) bands (ev): -20.3516 -20.3516 -20.3514 -20.3514 -5.3492 -5.3492 -5.3491 -5.3491 -4.8192 -4.8192 -4.8191 -4.8191 -4.1590 -4.1590 -4.1589 -4.1589 -3.9783 -3.9783 -3.9782 -3.9782 0.9578 0.9578 0.9578 0.9578 1.6449 1.6449 1.6449 1.6449 2.0826 2.0826 2.0826 2.0826 3.3011 3.3011 3.3013 3.3013 3.4965 3.4965 3.4965 3.4965 4.1765 4.1765 4.1766 4.1766 6.4977 6.4977 6.5064 6.5064 6.9403 6.9403 6.9695 6.9695 7.1790 7.1790 7.1994 7.1994 9.7813 9.7813 9.7815 9.7815 10.8289 10.8300 k = 0.0074 0.0128 0.2256 ( 6028 PWs) bands (ev): -20.3516 -20.3516 -20.3514 -20.3514 -5.3506 -5.3506 -5.3505 -5.3505 -4.8194 -4.8194 -4.8193 -4.8193 -4.1582 -4.1582 -4.1580 -4.1580 -3.9785 -3.9785 -3.9784 -3.9784 0.9568 0.9568 0.9568 0.9568 1.6450 1.6450 1.6450 1.6450 2.0830 2.0830 2.0830 2.0830 3.3065 3.3065 3.3065 3.3065 3.4944 3.4944 3.4944 3.4944 4.1691 4.1691 4.1692 4.1692 6.5933 6.5933 6.5952 6.5952 6.9372 6.9372 6.9432 6.9432 7.1267 7.1267 7.1307 7.1307 9.7826 9.7826 9.7827 9.7827 10.8277 10.8279 k = 0.0000 0.0000 0.2256 ( 6028 PWs) bands (ev): -20.3516 -20.3516 -20.3514 -20.3514 -5.3510 -5.3510 -5.3509 -5.3509 -4.8194 -4.8194 -4.8193 -4.8193 -4.1579 -4.1579 -4.1578 -4.1578 -3.9786 -3.9786 -3.9785 -3.9785 0.9565 0.9565 0.9565 0.9565 1.6450 1.6450 1.6450 1.6450 2.0831 2.0831 2.0832 2.0832 3.3083 3.3083 3.3083 3.3083 3.4936 3.4936 3.4936 3.4936 4.1667 4.1667 4.1667 4.1667 6.6348 6.6348 6.6348 6.6348 6.9248 6.9248 6.9248 6.9248 7.1092 7.1092 7.1092 7.1092 9.7830 9.7830 9.7831 9.7831 10.8269 10.8269 k = 0.5000 0.2887 0.2256 ( 6120 PWs) bands (ev): -20.3431 -20.3431 -20.3430 -20.3430 -5.1884 -5.1884 -5.1882 -5.1882 -4.6151 -4.6151 -4.6150 -4.6150 -4.2284 -4.2284 -4.2282 -4.2282 -4.0272 -4.0272 -4.0271 -4.0271 1.1935 1.1935 1.1935 1.1935 1.6448 1.6448 1.6448 1.6448 2.0589 2.0589 2.0589 2.0589 2.8994 2.8994 2.8994 2.8994 3.2343 3.2343 3.2343 3.2343 3.6350 3.6350 3.6350 3.6350 4.9779 4.9779 4.9779 4.9779 5.5719 5.5719 5.5719 5.5719 8.5146 8.5146 8.5147 8.5147 8.7998 8.7998 8.7998 8.7998 12.1214 12.1214 k = 0.5000 0.2887 0.2115 ( 6124 PWs) bands (ev): -20.3431 -20.3431 -20.3429 -20.3429 -5.1939 -5.1939 -5.1827 -5.1827 -4.6219 -4.6219 -4.6074 -4.6074 -4.2304 -4.2304 -4.2263 -4.2263 -4.0454 -4.0454 -4.0095 -4.0095 1.1840 1.1840 1.2029 1.2029 1.6429 1.6429 1.6467 1.6467 2.0516 2.0516 2.0663 2.0663 2.8965 2.8965 2.9024 2.9024 3.2277 3.2277 3.2408 3.2408 3.6316 3.6316 3.6385 3.6385 4.9685 4.9685 4.9873 4.9873 5.5694 5.5694 5.5741 5.5741 8.4847 8.4847 8.5384 8.5384 8.7709 8.7709 8.8397 8.8397 12.0837 12.0837 k = 0.5000 0.2887 0.1974 ( 6132 PWs) bands (ev): -20.3432 -20.3432 -20.3429 -20.3429 -5.1994 -5.1994 -5.1773 -5.1773 -4.6280 -4.6280 -4.5991 -4.5991 -4.2325 -4.2325 -4.2245 -4.2245 -4.0641 -4.0641 -3.9925 -3.9925 1.1746 1.1746 1.2121 1.2121 1.6410 1.6410 1.6485 1.6485 2.0444 2.0444 2.0738 2.0738 2.8935 2.8935 2.9054 2.9054 3.2212 3.2212 3.2472 3.2472 3.6282 3.6282 3.6420 3.6420 4.9592 4.9592 4.9966 4.9966 5.5666 5.5666 5.5760 5.5760 8.4518 8.4518 8.5519 8.5519 8.7560 8.7560 8.8881 8.8881 12.0199 12.0199 k = 0.5000 0.2887 0.1833 ( 6124 PWs) bands (ev): -20.3432 -20.3432 -20.3428 -20.3428 -5.2049 -5.2049 -5.1720 -5.1720 -4.6336 -4.6336 -4.5901 -4.5901 -4.2347 -4.2347 -4.2227 -4.2227 -4.0832 -4.0832 -3.9763 -3.9763 1.1653 1.1653 1.2212 1.2212 1.6392 1.6392 1.6504 1.6504 2.0375 2.0375 2.0812 2.0812 2.8906 2.8906 2.9083 2.9083 3.2148 3.2148 3.2534 3.2534 3.6250 3.6250 3.6455 3.6455 4.9501 4.9501 5.0058 5.0058 5.5637 5.5637 5.5777 5.5777 8.4181 8.4181 8.5524 8.5524 8.7569 8.7569 8.9437 8.9437 11.9349 11.9349 k = 0.5000 0.2887 0.1692 ( 6118 PWs) bands (ev): -20.3433 -20.3433 -20.3428 -20.3428 -5.2102 -5.2102 -5.1669 -5.1669 -4.6385 -4.6385 -4.5802 -4.5802 -4.2370 -4.2370 -4.2212 -4.2212 -4.1023 -4.1023 -3.9610 -3.9610 1.1562 1.1562 1.2299 1.2299 1.6374 1.6374 1.6522 1.6522 2.0309 2.0309 2.0885 2.0885 2.8878 2.8878 2.9111 2.9111 3.2085 3.2085 3.2595 3.2595 3.6218 3.6218 3.6489 3.6489 4.9413 4.9413 5.0148 5.0148 5.5605 5.5605 5.5791 5.5791 8.3848 8.3848 8.5423 8.5423 8.7708 8.7708 9.0054 9.0054 11.8348 11.8348 k = 0.5000 0.2887 0.1551 ( 6124 PWs) bands (ev): -20.3433 -20.3433 -20.3427 -20.3427 -5.2153 -5.2153 -5.1620 -5.1620 -4.6429 -4.6429 -4.5696 -4.5696 -4.2394 -4.2394 -4.2199 -4.2199 -4.1214 -4.1214 -3.9466 -3.9466 1.1475 1.1475 1.2382 1.2382 1.6356 1.6356 1.6540 1.6540 2.0246 2.0246 2.0957 2.0957 2.8851 2.8851 2.9138 2.9138 3.2024 3.2024 3.2653 3.2653 3.6189 3.6189 3.6522 3.6522 4.9328 4.9328 5.0234 5.0234 5.5572 5.5572 5.5802 5.5802 8.3529 8.3529 8.5262 8.5262 8.7923 8.7923 9.0727 9.0727 11.7249 11.7249 k = 0.5000 0.2887 0.1410 ( 6132 PWs) bands (ev): -20.3434 -20.3434 -20.3427 -20.3427 -5.2202 -5.2202 -5.1574 -5.1574 -4.6467 -4.6467 -4.5582 -4.5582 -4.2421 -4.2421 -4.2191 -4.2191 -4.1399 -4.1399 -3.9332 -3.9332 1.1391 1.1391 1.2461 1.2461 1.6340 1.6340 1.6556 1.6556 2.0187 2.0187 2.1026 2.1026 2.8825 2.8825 2.9164 2.9164 3.1965 3.1965 3.2708 3.2708 3.6161 3.6161 3.6555 3.6555 4.9248 4.9248 5.0316 5.0316 5.5539 5.5539 5.5810 5.5810 8.3230 8.3230 8.5079 8.5079 8.8171 8.8171 9.1447 9.1447 11.6089 11.6089 k = 0.5000 0.2887 0.1269 ( 6130 PWs) bands (ev): -20.3434 -20.3434 -20.3426 -20.3426 -5.2248 -5.2248 -5.1532 -5.1532 -4.6500 -4.6500 -4.5461 -4.5461 -4.2453 -4.2453 -4.2190 -4.2190 -4.1573 -4.1573 -3.9209 -3.9209 1.1313 1.1313 1.2534 1.2534 1.6325 1.6325 1.6572 1.6572 2.0132 2.0132 2.1091 2.1091 2.8800 2.8800 2.9189 2.9189 3.1910 3.1910 3.2759 3.2759 3.6135 3.6135 3.6585 3.6585 4.9174 4.9174 5.0393 5.0393 5.5505 5.5505 5.5817 5.5817 8.2955 8.2955 8.4895 8.4895 8.8428 8.8428 9.2207 9.2207 11.4900 11.4900 k = 0.5000 0.2887 0.1128 ( 6122 PWs) bands (ev): -20.3435 -20.3435 -20.3426 -20.3426 -5.2290 -5.2290 -5.1493 -5.1493 -4.6529 -4.6529 -4.5334 -4.5334 -4.2496 -4.2496 -4.2199 -4.2199 -4.1726 -4.1726 -3.9097 -3.9097 1.1240 1.1240 1.2602 1.2602 1.6310 1.6310 1.6587 1.6587 2.0082 2.0082 2.1152 2.1152 2.8778 2.8778 2.9212 2.9212 3.1859 3.1859 3.2806 3.2806 3.6111 3.6111 3.6614 3.6614 4.9105 4.9105 5.0464 5.0464 5.5473 5.5473 5.5821 5.5821 8.2707 8.2707 8.4721 8.4721 8.8680 8.8680 9.3001 9.3001 11.3701 11.3701 k = 0.5000 0.2887 0.0987 ( 6114 PWs) bands (ev): -20.3435 -20.3435 -20.3426 -20.3426 -5.2329 -5.2329 -5.1459 -5.1459 -4.6554 -4.6554 -4.5200 -4.5200 -4.2556 -4.2556 -4.2225 -4.2225 -4.1843 -4.1843 -3.8997 -3.8997 1.1174 1.1174 1.2662 1.2662 1.6297 1.6297 1.6600 1.6600 2.0037 2.0037 2.1208 2.1208 2.8757 2.8757 2.9233 2.9233 3.1812 3.1812 3.2848 3.2848 3.6090 3.6090 3.6640 3.6640 4.9042 4.9042 5.0529 5.0529 5.5441 5.5441 5.5824 5.5824 8.2486 8.2486 8.4562 8.4562 8.8918 8.8918 9.3818 9.3818 11.2512 11.2512 k = 0.5000 0.2887 0.0846 ( 6114 PWs) bands (ev): -20.3436 -20.3436 -20.3425 -20.3425 -5.2363 -5.2363 -5.1428 -5.1428 -4.6575 -4.6575 -4.5063 -4.5063 -4.2644 -4.2644 -4.2263 -4.2263 -4.1915 -4.1915 -3.8909 -3.8909 1.1116 1.1116 1.2716 1.2716 1.6286 1.6286 1.6612 1.6612 1.9998 1.9998 2.1259 2.1259 2.8739 2.8739 2.9252 2.9252 3.1770 3.1770 3.2886 3.2886 3.6071 3.6071 3.6663 3.6663 4.8987 4.8987 5.0586 5.0586 5.5413 5.5413 5.5826 5.5826 8.2294 8.2294 8.4421 8.4421 8.9135 8.9135 9.4648 9.4648 11.1352 11.1352 k = 0.5000 0.2887 0.0705 ( 6110 PWs) bands (ev): -20.3436 -20.3436 -20.3425 -20.3425 -5.2392 -5.2392 -5.1402 -5.1402 -4.6592 -4.6592 -4.4923 -4.4923 -4.2761 -4.2761 -4.2301 -4.2301 -4.1952 -4.1952 -3.8834 -3.8834 1.1065 1.1065 1.2762 1.2762 1.6276 1.6276 1.6622 1.6622 1.9964 1.9964 2.1302 2.1302 2.8723 2.8723 2.9268 2.9268 3.1734 3.1734 3.2919 3.2919 3.6055 3.6055 3.6684 3.6684 4.8940 4.8940 5.0636 5.0636 5.5387 5.5387 5.5827 5.5827 8.2132 8.2132 8.4300 8.4300 8.9326 8.9326 9.5473 9.5473 11.0242 11.0242 k = 0.5000 0.2887 0.0564 ( 6114 PWs) bands (ev): -20.3436 -20.3436 -20.3425 -20.3425 -5.2416 -5.2416 -5.1381 -5.1381 -4.6605 -4.6605 -4.4785 -4.4785 -4.2897 -4.2897 -4.2331 -4.2331 -4.1969 -4.1969 -3.8773 -3.8773 1.1022 1.1022 1.2800 1.2800 1.6267 1.6267 1.6631 1.6631 1.9936 1.9936 2.1339 2.1339 2.8709 2.8709 2.9282 2.9282 3.1704 3.1704 3.2946 3.2946 3.6041 3.6041 3.6701 3.6701 4.8900 4.8900 5.0677 5.0677 5.5364 5.5364 5.5827 5.5827 8.1999 8.1999 8.4201 8.4201 8.9488 8.9488 9.6269 9.6269 10.9208 10.9208 k = 0.5000 0.2887 0.0423 ( 6138 PWs) bands (ev): -20.3436 -20.3436 -20.3425 -20.3425 -5.2435 -5.2435 -5.1364 -5.1364 -4.6616 -4.6616 -4.4654 -4.4654 -4.3035 -4.3035 -4.2351 -4.2351 -4.1976 -4.1976 -3.8725 -3.8725 1.0989 1.0989 1.2830 1.2830 1.6261 1.6261 1.6638 1.6638 1.9914 1.9914 2.1368 2.1368 2.8699 2.8699 2.9293 2.9293 3.1680 3.1680 3.2967 3.2967 3.6030 3.6030 3.6715 3.6715 4.8869 4.8869 5.0710 5.0710 5.5346 5.5346 5.5828 5.5828 8.1896 8.1896 8.4123 8.4123 8.9617 8.9617 9.7001 9.7001 10.8290 10.8290 k = 0.5000 0.2887 0.0282 ( 6128 PWs) bands (ev): -20.3436 -20.3436 -20.3424 -20.3424 -5.2449 -5.2449 -5.1352 -5.1352 -4.6623 -4.6623 -4.4540 -4.4540 -4.3157 -4.3157 -4.2364 -4.2364 -4.1979 -4.1979 -3.8690 -3.8690 1.0965 1.0965 1.2852 1.2852 1.6256 1.6256 1.6642 1.6642 1.9898 1.9898 2.1390 2.1390 2.8691 2.8691 2.9301 2.9301 3.1662 3.1662 3.2982 3.2982 3.6023 3.6023 3.6725 3.6725 4.8846 4.8846 5.0733 5.0733 5.5333 5.5333 5.5827 5.5827 8.1822 8.1822 8.4067 8.4067 8.9711 8.9711 9.7613 9.7613 10.7543 10.7543 k = 0.5000 0.2887 0.0141 ( 6132 PWs) bands (ev): -20.3437 -20.3437 -20.3424 -20.3424 -5.2458 -5.2458 -5.1345 -5.1345 -4.6628 -4.6628 -4.4459 -4.4459 -4.3245 -4.3245 -4.2371 -4.2371 -4.1980 -4.1980 -3.8669 -3.8669 1.0950 1.0950 1.2865 1.2865 1.6253 1.6253 1.6645 1.6645 1.9888 1.9888 2.1402 2.1402 2.8686 2.8686 2.9306 2.9306 3.1652 3.1652 3.2992 3.2992 3.6018 3.6018 3.6731 3.6731 4.8833 4.8833 5.0747 5.0747 5.5325 5.5325 5.5827 5.5827 8.1778 8.1778 8.4033 8.4033 8.9768 8.9768 9.8031 9.8031 10.7043 10.7043 k = 0.5000 0.2887-0.0000 ( 6130 PWs) bands (ev): -20.3437 -20.3437 -20.3424 -20.3424 -5.2460 -5.2460 -5.1342 -5.1342 -4.6629 -4.6629 -4.4429 -4.4429 -4.3277 -4.3277 -4.2373 -4.2373 -4.1980 -4.1980 -3.8662 -3.8662 1.0945 1.0945 1.2869 1.2869 1.6252 1.6252 1.6646 1.6646 1.9885 1.9885 2.1407 2.1407 2.8685 2.8685 2.9307 2.9307 3.1648 3.1648 3.2995 3.2995 3.6017 3.6017 3.6733 3.6733 4.8828 4.8828 5.0752 5.0752 5.5323 5.5323 5.5827 5.5827 8.1763 8.1763 8.4022 8.4022 8.9787 8.9787 9.8182 9.8182 10.6865 10.6865 k = 0.3333 0.5774-0.0000 ( 6135 PWs) bands (ev): -20.3426 -20.3426 -20.3414 -20.3414 -5.2057 -5.2057 -5.1344 -5.1344 -4.6920 -4.6920 -4.4198 -4.4198 -4.2960 -4.2960 -4.2748 -4.2748 -4.0511 -4.0511 -3.9681 -3.9681 1.0629 1.0629 1.2421 1.2421 1.5643 1.5643 1.9507 1.9507 2.2213 2.2213 2.2736 2.2736 2.7196 2.7196 2.8286 2.8286 3.3691 3.3691 3.4952 3.4952 3.5303 3.5303 3.6520 3.6520 3.7958 3.7958 3.8365 3.8365 5.6511 5.6511 5.8181 5.8181 8.8345 8.8345 8.8477 8.8477 10.0172 10.0172 10.2874 10.2874 11.5658 11.5658 k = 0.3333 0.5774 0.0141 ( 6129 PWs) bands (ev): -20.3426 -20.3426 -20.3414 -20.3414 -5.2057 -5.2057 -5.1344 -5.1344 -4.6920 -4.6920 -4.4200 -4.4200 -4.2962 -4.2962 -4.2746 -4.2746 -4.0512 -4.0512 -3.9680 -3.9680 1.0629 1.0629 1.2421 1.2421 1.5643 1.5643 1.9507 1.9507 2.2213 2.2213 2.2735 2.2735 2.7197 2.7197 2.8286 2.8286 3.3699 3.3699 3.4951 3.4951 3.5303 3.5303 3.6521 3.6521 3.7958 3.7958 3.8356 3.8356 5.6512 5.6512 5.8183 5.8183 8.8330 8.8330 8.8461 8.8461 10.0191 10.0191 10.2899 10.2899 11.5687 11.5687 k = 0.3333 0.5774 0.0282 ( 6123 PWs) bands (ev): -20.3426 -20.3426 -20.3414 -20.3414 -5.2056 -5.2056 -5.1344 -5.1344 -4.6918 -4.6918 -4.4206 -4.4206 -4.2968 -4.2968 -4.2739 -4.2739 -4.0514 -4.0514 -3.9676 -3.9676 1.0628 1.0628 1.2421 1.2421 1.5643 1.5643 1.9508 1.9508 2.2213 2.2213 2.2733 2.2733 2.7200 2.7200 2.8286 2.8286 3.3721 3.3721 3.4951 3.4951 3.5302 3.5302 3.6521 3.6521 3.7958 3.7958 3.8329 3.8329 5.6517 5.6517 5.8188 5.8188 8.8287 8.8287 8.8413 8.8413 10.0246 10.0246 10.2972 10.2972 11.5776 11.5776 k = 0.3333 0.5774 0.0423 ( 6117 PWs) bands (ev): -20.3425 -20.3425 -20.3414 -20.3414 -5.2055 -5.2055 -5.1345 -5.1345 -4.6914 -4.6914 -4.4215 -4.4215 -4.2978 -4.2978 -4.2729 -4.2729 -4.0516 -4.0516 -3.9670 -3.9670 1.0627 1.0627 1.2420 1.2420 1.5643 1.5643 1.9509 1.9509 2.2212 2.2212 2.2730 2.2730 2.7204 2.7204 2.8286 2.8286 3.3758 3.3758 3.4951 3.4951 3.5301 3.5301 3.6522 3.6522 3.7957 3.7957 3.8285 3.8285 5.6524 5.6524 5.8197 5.8197 8.8217 8.8217 8.8336 8.8336 10.0335 10.0335 10.3090 10.3090 11.5923 11.5923 k = 0.3333 0.5774 0.0564 ( 6129 PWs) bands (ev): -20.3425 -20.3425 -20.3414 -20.3414 -5.2053 -5.2053 -5.1345 -5.1345 -4.6910 -4.6910 -4.4228 -4.4228 -4.2991 -4.2991 -4.2714 -4.2714 -4.0520 -4.0520 -3.9661 -3.9661 1.0625 1.0625 1.2419 1.2419 1.5643 1.5643 1.9511 1.9511 2.2212 2.2212 2.2726 2.2726 2.7210 2.7210 2.8286 2.8286 3.3809 3.3809 3.4950 3.4950 3.5300 3.5300 3.6524 3.6524 3.7956 3.7956 3.8224 3.8224 5.6533 5.6533 5.8208 5.8208 8.8125 8.8125 8.8235 8.8235 10.0453 10.0453 10.3249 10.3249 11.6127 11.6128 k = 0.3333 0.5774 0.0705 ( 6123 PWs) bands (ev): -20.3425 -20.3425 -20.3415 -20.3415 -5.2050 -5.2050 -5.1346 -5.1346 -4.6904 -4.6904 -4.4243 -4.4243 -4.3006 -4.3006 -4.2697 -4.2697 -4.0524 -4.0524 -3.9651 -3.9651 1.0623 1.0623 1.2418 1.2418 1.5644 1.5644 1.9513 1.9513 2.2211 2.2211 2.2722 2.2722 2.7218 2.7218 2.8286 2.8286 3.3873 3.3873 3.4949 3.4949 3.5298 3.5298 3.6526 3.6526 3.7955 3.7955 3.8148 3.8148 5.6545 5.6545 5.8223 5.8223 8.8014 8.8014 8.8113 8.8113 10.0596 10.0596 10.3441 10.3441 11.6389 11.6389 k = 0.3333 0.5774 0.0846 ( 6117 PWs) bands (ev): -20.3425 -20.3425 -20.3415 -20.3415 -5.2047 -5.2047 -5.1347 -5.1347 -4.6897 -4.6897 -4.4260 -4.4260 -4.3024 -4.3024 -4.2677 -4.2677 -4.0529 -4.0529 -3.9639 -3.9639 1.0620 1.0620 1.2417 1.2417 1.5644 1.5644 1.9515 1.9515 2.2211 2.2211 2.2716 2.2716 2.7226 2.7226 2.8286 2.8286 3.3949 3.3949 3.4948 3.4948 3.5296 3.5296 3.6529 3.6529 3.7954 3.7954 3.8058 3.8058 5.6559 5.6559 5.8239 5.8239 8.7891 8.7891 8.7977 8.7977 10.0757 10.0757 10.3660 10.3660 11.6706 11.6706 k = 0.3333 0.5774 0.0987 ( 6120 PWs) bands (ev): -20.3424 -20.3424 -20.3415 -20.3415 -5.2044 -5.2044 -5.1348 -5.1348 -4.6890 -4.6890 -4.4278 -4.4278 -4.3043 -4.3043 -4.2657 -4.2657 -4.0534 -4.0534 -3.9626 -3.9626 1.0618 1.0618 1.2416 1.2416 1.5645 1.5645 1.9518 1.9518 2.2210 2.2210 2.2710 2.2710 2.7235 2.7235 2.8286 2.8286 3.4036 3.4036 3.4947 3.4947 3.5292 3.5292 3.6534 3.6534 3.7953 3.7953 3.7956 3.7956 5.6573 5.6573 5.8257 5.8257 8.7760 8.7760 8.7833 8.7833 10.0929 10.0929 10.3897 10.3897 11.7077 11.7077 k = 0.3333 0.5774 0.1128 ( 6132 PWs) bands (ev): -20.3424 -20.3424 -20.3416 -20.3416 -5.2041 -5.2041 -5.1349 -5.1349 -4.6883 -4.6883 -4.4296 -4.4296 -4.3063 -4.3063 -4.2636 -4.2636 -4.0540 -4.0540 -3.9613 -3.9613 1.0615 1.0615 1.2415 1.2415 1.5645 1.5645 1.9520 1.9520 2.2209 2.2209 2.2704 2.2704 2.7244 2.7244 2.8285 2.8285 3.4131 3.4131 3.4946 3.4946 3.5288 3.5288 3.6540 3.6540 3.7844 3.7844 3.7952 3.7952 5.6588 5.6588 5.8276 5.8276 8.7627 8.7627 8.7686 8.7686 10.1106 10.1106 10.4142 10.4142 11.7499 11.7500 k = 0.3333 0.5774 0.1269 ( 6120 PWs) bands (ev): -20.3424 -20.3424 -20.3416 -20.3416 -5.2038 -5.2038 -5.1350 -5.1350 -4.6875 -4.6875 -4.4313 -4.4313 -4.3083 -4.3083 -4.2615 -4.2615 -4.0546 -4.0546 -3.9601 -3.9601 1.0612 1.0612 1.2413 1.2413 1.5646 1.5646 1.9523 1.9523 2.2209 2.2209 2.2698 2.2698 2.7254 2.7254 2.8285 2.8285 3.4232 3.4232 3.4945 3.4945 3.5283 3.5283 3.6549 3.6549 3.7725 3.7725 3.7951 3.7951 5.6604 5.6604 5.8295 5.8295 8.7496 8.7496 8.7542 8.7542 10.1280 10.1280 10.4389 10.4389 11.7965 11.7965 k = 0.3333 0.5774 0.1410 ( 6126 PWs) bands (ev): -20.3423 -20.3423 -20.3416 -20.3416 -5.2035 -5.2035 -5.1351 -5.1351 -4.6868 -4.6868 -4.4330 -4.4330 -4.3101 -4.3101 -4.2595 -4.2595 -4.0551 -4.0551 -3.9588 -3.9588 1.0609 1.0609 1.2412 1.2412 1.5646 1.5646 1.9525 1.9525 2.2208 2.2208 2.2692 2.2692 2.7263 2.7263 2.8285 2.8285 3.4337 3.4337 3.4944 3.4944 3.5277 3.5277 3.6560 3.6560 3.7601 3.7601 3.7950 3.7950 5.6618 5.6618 5.8313 5.8313 8.7374 8.7374 8.7407 8.7407 10.1446 10.1446 10.4626 10.4626 11.8328 11.8359 k = 0.3333 0.5774 0.1551 ( 6114 PWs) bands (ev): -20.3423 -20.3423 -20.3417 -20.3417 -5.2032 -5.2032 -5.1352 -5.1352 -4.6862 -4.6862 -4.4345 -4.4345 -4.3119 -4.3119 -4.2577 -4.2577 -4.0556 -4.0556 -3.9577 -3.9577 1.0607 1.0607 1.2411 1.2411 1.5647 1.5647 1.9527 1.9527 2.2208 2.2208 2.2687 2.2687 2.7271 2.7271 2.8285 2.8285 3.4441 3.4441 3.4943 3.4943 3.5269 3.5269 3.6575 3.6575 3.7477 3.7477 3.7949 3.7949 5.6632 5.6632 5.8329 5.8329 8.7263 8.7263 8.7284 8.7284 10.1598 10.1598 10.4845 10.4845 11.8209 11.8257 k = 0.3333 0.5774 0.1692 ( 6120 PWs) bands (ev): -20.3422 -20.3422 -20.3417 -20.3417 -5.2029 -5.2029 -5.1353 -5.1353 -4.6856 -4.6856 -4.4358 -4.4358 -4.3134 -4.3134 -4.2562 -4.2562 -4.0561 -4.0561 -3.9567 -3.9567 1.0604 1.0604 1.2410 1.2410 1.5647 1.5647 1.9529 1.9529 2.2207 2.2207 2.2682 2.2682 2.7278 2.7278 2.8285 2.8285 3.4540 3.4540 3.4942 3.4942 3.5260 3.5260 3.6594 3.6594 3.7357 3.7357 3.7948 3.7948 5.6644 5.6644 5.8344 5.8344 8.7167 8.7167 8.7179 8.7179 10.1730 10.1730 10.5039 10.5039 11.8098 11.8129 k = 0.3333 0.5774 0.1833 ( 6111 PWs) bands (ev): -20.3422 -20.3422 -20.3418 -20.3418 -5.2027 -5.2027 -5.1354 -5.1354 -4.6851 -4.6851 -4.4368 -4.4368 -4.3146 -4.3146 -4.2549 -4.2549 -4.0565 -4.0565 -3.9559 -3.9559 1.0603 1.0603 1.2409 1.2409 1.5648 1.5648 1.9531 1.9531 2.2207 2.2207 2.2679 2.2679 2.7283 2.7283 2.8285 2.8285 3.4628 3.4628 3.4942 3.4942 3.5249 3.5249 3.6618 3.6618 3.7246 3.7246 3.7947 3.7947 5.6654 5.6654 5.8356 5.8356 8.7090 8.7090 8.7093 8.7093 10.1838 10.1838 10.5199 10.5199 11.8013 11.8021 k = 0.3333 0.5774 0.1974 ( 6120 PWs) bands (ev): -20.3421 -20.3421 -20.3418 -20.3418 -5.2025 -5.2025 -5.1355 -5.1355 -4.6847 -4.6847 -4.4376 -4.4376 -4.3156 -4.3156 -4.2540 -4.2540 -4.0567 -4.0567 -3.9554 -3.9554 1.0601 1.0601 1.2408 1.2408 1.5648 1.5648 1.9532 1.9532 2.2207 2.2207 2.2676 2.2676 2.7288 2.7288 2.8284 2.8284 3.4700 3.4700 3.4941 3.4941 3.5238 3.5238 3.6644 3.6644 3.7152 3.7152 3.7947 3.7947 5.6661 5.6661 5.8365 5.8365 8.7030 8.7030 8.7033 8.7033 10.1918 10.1918 10.5318 10.5318 11.7927 11.7931 k = 0.3333 0.5774 0.2115 ( 6120 PWs) bands (ev): -20.3421 -20.3421 -20.3419 -20.3419 -5.2024 -5.2024 -5.1355 -5.1355 -4.6845 -4.6845 -4.4381 -4.4381 -4.3161 -4.3161 -4.2534 -4.2534 -4.0569 -4.0569 -3.9550 -3.9550 1.0600 1.0600 1.2408 1.2408 1.5648 1.5648 1.9533 1.9533 2.2206 2.2206 2.2674 2.2674 2.7290 2.7290 2.8284 2.8284 3.4748 3.4748 3.4941 3.4941 3.5230 3.5230 3.6667 3.6667 3.7085 3.7085 3.7946 3.7946 5.6665 5.6665 5.8371 5.8371 8.6991 8.6991 8.6998 8.6998 10.1967 10.1967 10.5392 10.5392 11.7868 11.7874 k = 0.3333 0.5774 0.2256 ( 6102 PWs) bands (ev): -20.3421 -20.3421 -20.3419 -20.3419 -5.2024 -5.2024 -5.1355 -5.1355 -4.6844 -4.6844 -4.4382 -4.4382 -4.3163 -4.3163 -4.2532 -4.2532 -4.0570 -4.0570 -3.9549 -3.9549 1.0600 1.0600 1.2408 1.2408 1.5648 1.5648 1.9533 1.9533 2.2206 2.2206 2.2673 2.2673 2.7291 2.7291 2.8284 2.8284 3.4765 3.4765 3.4941 3.4941 3.5226 3.5226 3.6677 3.6677 3.7061 3.7061 3.7946 3.7946 5.6667 5.6667 5.8372 5.8372 8.6978 8.6978 8.6986 8.6986 10.1983 10.1983 10.5417 10.5417 11.7850 11.7875 Writing output data file RbTeAu.save init_run : 0.61s CPU 0.86s WALL ( 1 calls) electrons : 321.42s CPU 325.05s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.04s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 321.42s CPU 325.04s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.20s CPU 0.35s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.11s WALL ( 271 calls) cegterg : 299.98s CPU 302.91s WALL ( 725 calls) Called by sum_band: Called by *egterg: h_psi : 161.96s CPU 163.92s WALL ( 12794 calls) s_psi : 13.80s CPU 13.72s WALL ( 12794 calls) g_psi : 0.44s CPU 0.51s WALL ( 11798 calls) cdiaghg : 99.90s CPU 101.11s WALL ( 12069 calls) cegterg:over : 14.25s CPU 14.11s WALL ( 11798 calls) cegterg:upda : 13.64s CPU 13.76s WALL ( 11798 calls) cegterg:last : 5.92s CPU 5.84s WALL ( 1538 calls) cdiaghg:chol : 5.66s CPU 5.80s WALL ( 12069 calls) cdiaghg:inve : 3.93s CPU 3.96s WALL ( 12069 calls) cdiaghg:para : 6.14s CPU 6.16s WALL ( 24138 calls) Called by h_psi: h_psi:vloc : 132.28s CPU 133.86s WALL ( 12794 calls) h_psi:vnl : 29.16s CPU 29.52s WALL ( 12794 calls) add_vuspsi : 15.97s CPU 16.14s WALL ( 12794 calls) General routines calbec : 13.13s CPU 13.34s WALL ( 12794 calls) fft : 0.01s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 119.10s CPU 120.62s WALL ( 1138468 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.22s CPU 0.28s WALL ( 542 calls) Parallel routines fft_scatter : 38.08s CPU 38.34s WALL ( 1138491 calls) PWSCF : 5m42.10s CPU 5m56.63s WALL This run was terminated on: 13:41:12 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=