Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21: 3:57 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: ./Ti2O.save/ 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 19 19 5 675 657 103 Max 20 20 6 682 673 114 Sum 691 685 199 24407 23969 3911 bravais-lattice index = 14 lattice parameter (alat) = 5.5923 a.u. unit-cell volume = 247.9903 (a.u.)^3 number of atoms/cell = 3 number of atomic types = 2 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.592266 celldm(2)= 1.000000 celldm(3)= 1.637347 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 1.637347 ) 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 0.610744 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 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 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Ti 12.00 47.86700 Ti( 1.00) 12 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) ( -1 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [0,1,0] cryst. s( 5) = ( -1 -1 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [1,1,0] cryst. s( 6) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 6) = ( -0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inversion cryst. s( 7) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 7) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 9 inv. 120 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( 0 -1 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 9) = ( 0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 10 inv. 120 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 1 1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s(10) = ( 0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 11 inv. 180 deg rotation - cryst. axis [0,1,0] cryst. s(11) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s(11) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 12 inv. 180 deg rotation - cryst. axis [1,1,0] cryst. s(12) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s(12) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_3d (-3m) there are 12 classes and 6 irreducible representations the character table: E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 2.00 -2.00 1.00 -1.00 0.00 0.00 2.00 -2.00 1.00 -1.00 0.00 0.00 G_5+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_6+ 1.00 -1.00 -1.00 1.00 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 2.00 -2.00 1.00 -1.00 0.00 0.00 -2.00 2.00 -1.00 1.00 0.00 0.00 G_5- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 G_6- 1.00 -1.00 -1.00 1.00 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 imaginary part E -E 2C3 -2C3 3C2' -3C2' i -i 2S6 -2S6 3s_v -3s_v G_4+ 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5+ 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_6+ 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 G_5- 0.00 0.00 0.00 0.00 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_6- 0.00 0.00 0.00 0.00 -1.00 1.00 0.00 0.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E 2C3 3 4 120 deg rotation - cryst. axis [0,0,1] -2C3 -3 -4 120 deg rotation - cryst. axis [0,0,1] E 3C2' 2 5 -6 180 deg rotation - cart. axis [1,0,0] 3C2' 6 -5 -2 180 deg rotation - cryst. axis [1,1,0] i 7 inversion -i -7 inversion E 2S6 9 10 inv. 120 deg rotation - cryst. axis [0,0,1] -2S6 -9 -10 inv. 120 deg rotation - cryst. axis [0,0,1] E 3s_v 8 11 -12 inv. 180 deg rotation - cart. axis [1,0,0] 3s_v 12 -11 -8 inv. 180 deg rotation - cryst. axis [1,1,0] Cartesian axes number of k points= 446 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022422 k( 2) = ( 0.0080645 0.0046561 -0.0000000), wk = 0.0022422 k( 3) = ( 0.0161290 0.0093121 -0.0000000), wk = 0.0022422 k( 4) = ( 0.0241936 0.0139682 -0.0000000), wk = 0.0022422 k( 5) = ( 0.0322581 0.0186242 -0.0000000), wk = 0.0022422 k( 6) = ( 0.0403226 0.0232803 -0.0000000), wk = 0.0022422 k( 7) = ( 0.0483871 0.0279363 -0.0000000), wk = 0.0022422 k( 8) = ( 0.0564516 0.0325924 -0.0000000), wk = 0.0022422 k( 9) = ( 0.0645161 0.0372484 -0.0000000), wk = 0.0022422 k( 10) = ( 0.0725806 0.0419045 -0.0000000), wk = 0.0022422 k( 11) = ( 0.0806452 0.0465605 -0.0000000), wk = 0.0022422 k( 12) = ( 0.0887097 0.0512166 -0.0000000), wk = 0.0022422 k( 13) = ( 0.0967742 0.0558726 -0.0000000), wk = 0.0022422 k( 14) = ( 0.1048387 0.0605287 -0.0000000), wk = 0.0022422 k( 15) = ( 0.1129032 0.0651847 -0.0000000), wk = 0.0022422 k( 16) = ( 0.1209677 0.0698408 -0.0000000), wk = 0.0022422 k( 17) = ( 0.1290323 0.0744968 -0.0000000), wk = 0.0022422 k( 18) = ( 0.1370968 0.0791529 -0.0000000), wk = 0.0022422 k( 19) = ( 0.1451613 0.0838089 -0.0000000), wk = 0.0022422 k( 20) = ( 0.1532258 0.0884650 -0.0000000), wk = 0.0022422 k( 21) = ( 0.1612903 0.0931210 -0.0000000), wk = 0.0022422 k( 22) = ( 0.1693548 0.0977771 -0.0000000), wk = 0.0022422 k( 23) = ( 0.1774194 0.1024331 -0.0000000), wk = 0.0022422 k( 24) = ( 0.1854839 0.1070892 -0.0000000), wk = 0.0022422 k( 25) = ( 0.1935484 0.1117452 -0.0000000), wk = 0.0022422 k( 26) = ( 0.2016129 0.1164013 -0.0000000), wk = 0.0022422 k( 27) = ( 0.2096774 0.1210573 -0.0000000), wk = 0.0022422 k( 28) = ( 0.2177419 0.1257134 -0.0000000), wk = 0.0022422 k( 29) = ( 0.2258064 0.1303694 -0.0000000), wk = 0.0022422 k( 30) = ( 0.2338710 0.1350255 -0.0000000), wk = 0.0022422 k( 31) = ( 0.2419355 0.1396815 -0.0000000), wk = 0.0022422 k( 32) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0022422 k( 33) = ( 0.2580645 0.1489936 -0.0000000), wk = 0.0022422 k( 34) = ( 0.2661290 0.1536497 -0.0000000), wk = 0.0022422 k( 35) = ( 0.2741936 0.1583057 -0.0000000), wk = 0.0022422 k( 36) = ( 0.2822581 0.1629618 -0.0000000), wk = 0.0022422 k( 37) = ( 0.2903226 0.1676178 -0.0000000), wk = 0.0022422 k( 38) = ( 0.2983871 0.1722739 -0.0000000), wk = 0.0022422 k( 39) = ( 0.3064516 0.1769299 -0.0000000), wk = 0.0022422 k( 40) = ( 0.3145161 0.1815860 -0.0000000), wk = 0.0022422 k( 41) = ( 0.3225807 0.1862420 -0.0000000), wk = 0.0022422 k( 42) = ( 0.3306452 0.1908981 -0.0000000), wk = 0.0022422 k( 43) = ( 0.3387097 0.1955541 -0.0000000), wk = 0.0022422 k( 44) = ( 0.3467742 0.2002102 -0.0000000), wk = 0.0022422 k( 45) = ( 0.3548387 0.2048662 -0.0000000), wk = 0.0022422 k( 46) = ( 0.3629032 0.2095223 -0.0000000), wk = 0.0022422 k( 47) = ( 0.3709677 0.2141783 -0.0000000), wk = 0.0022422 k( 48) = ( 0.3790323 0.2188344 -0.0000000), wk = 0.0022422 k( 49) = ( 0.3870968 0.2234904 -0.0000000), wk = 0.0022422 k( 50) = ( 0.3951613 0.2281465 -0.0000000), wk = 0.0022422 k( 51) = ( 0.4032258 0.2328025 -0.0000000), wk = 0.0022422 k( 52) = ( 0.4112903 0.2374586 -0.0000000), wk = 0.0022422 k( 53) = ( 0.4193548 0.2421146 -0.0000000), wk = 0.0022422 k( 54) = ( 0.4274193 0.2467707 -0.0000000), wk = 0.0022422 k( 55) = ( 0.4354839 0.2514267 -0.0000000), wk = 0.0022422 k( 56) = ( 0.4435484 0.2560828 -0.0000000), wk = 0.0022422 k( 57) = ( 0.4516129 0.2607388 -0.0000000), wk = 0.0022422 k( 58) = ( 0.4596774 0.2653949 -0.0000000), wk = 0.0022422 k( 59) = ( 0.4677419 0.2700509 -0.0000000), wk = 0.0022422 k( 60) = ( 0.4758064 0.2747070 -0.0000000), wk = 0.0022422 k( 61) = ( 0.4838710 0.2793630 -0.0000000), wk = 0.0022422 k( 62) = ( 0.4919355 0.2840191 -0.0000000), wk = 0.0022422 k( 63) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022422 k( 64) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022422 k( 65) = ( 0.4953704 0.2966939 -0.0000000), wk = 0.0022422 k( 66) = ( 0.4907407 0.3047126 -0.0000000), wk = 0.0022422 k( 67) = ( 0.4861111 0.3127314 -0.0000000), wk = 0.0022422 k( 68) = ( 0.4814815 0.3207502 -0.0000000), wk = 0.0022422 k( 69) = ( 0.4768519 0.3287689 -0.0000000), wk = 0.0022422 k( 70) = ( 0.4722222 0.3367877 -0.0000000), wk = 0.0022422 k( 71) = ( 0.4675926 0.3448064 -0.0000000), wk = 0.0022422 k( 72) = ( 0.4629630 0.3528252 -0.0000000), wk = 0.0022422 k( 73) = ( 0.4583333 0.3608439 -0.0000000), wk = 0.0022422 k( 74) = ( 0.4537037 0.3688627 -0.0000000), wk = 0.0022422 k( 75) = ( 0.4490741 0.3768814 -0.0000000), wk = 0.0022422 k( 76) = ( 0.4444444 0.3849002 -0.0000000), wk = 0.0022422 k( 77) = ( 0.4398148 0.3929189 -0.0000000), wk = 0.0022422 k( 78) = ( 0.4351852 0.4009377 -0.0000000), wk = 0.0022422 k( 79) = ( 0.4305556 0.4089564 -0.0000000), wk = 0.0022422 k( 80) = ( 0.4259259 0.4169752 -0.0000000), wk = 0.0022422 k( 81) = ( 0.4212963 0.4249940 -0.0000000), wk = 0.0022422 k( 82) = ( 0.4166667 0.4330127 -0.0000000), wk = 0.0022422 k( 83) = ( 0.4120370 0.4410315 -0.0000000), wk = 0.0022422 k( 84) = ( 0.4074074 0.4490502 -0.0000000), wk = 0.0022422 k( 85) = ( 0.4027778 0.4570690 -0.0000000), wk = 0.0022422 k( 86) = ( 0.3981481 0.4650877 -0.0000000), wk = 0.0022422 k( 87) = ( 0.3935185 0.4731065 -0.0000000), wk = 0.0022422 k( 88) = ( 0.3888889 0.4811252 -0.0000000), wk = 0.0022422 k( 89) = ( 0.3842593 0.4891440 -0.0000000), wk = 0.0022422 k( 90) = ( 0.3796296 0.4971627 -0.0000000), wk = 0.0022422 k( 91) = ( 0.3750000 0.5051815 -0.0000000), wk = 0.0022422 k( 92) = ( 0.3703704 0.5132002 -0.0000000), wk = 0.0022422 k( 93) = ( 0.3657407 0.5212190 -0.0000000), wk = 0.0022422 k( 94) = ( 0.3611111 0.5292377 -0.0000000), wk = 0.0022422 k( 95) = ( 0.3564815 0.5372565 -0.0000000), wk = 0.0022422 k( 96) = ( 0.3518519 0.5452753 -0.0000000), wk = 0.0022422 k( 97) = ( 0.3472222 0.5532940 -0.0000000), wk = 0.0022422 k( 98) = ( 0.3425926 0.5613128 -0.0000000), wk = 0.0022422 k( 99) = ( 0.3379630 0.5693315 -0.0000000), wk = 0.0022422 k( 100) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022422 k( 101) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022422 k( 102) = ( 0.3286385 0.5692186 -0.0000000), wk = 0.0022422 k( 103) = ( 0.3239437 0.5610869 -0.0000000), wk = 0.0022422 k( 104) = ( 0.3192488 0.5529552 -0.0000000), wk = 0.0022422 k( 105) = ( 0.3145540 0.5448235 -0.0000000), wk = 0.0022422 k( 106) = ( 0.3098592 0.5366918 -0.0000000), wk = 0.0022422 k( 107) = ( 0.3051643 0.5285601 -0.0000000), wk = 0.0022422 k( 108) = ( 0.3004695 0.5204284 -0.0000000), wk = 0.0022422 k( 109) = ( 0.2957746 0.5122967 -0.0000000), wk = 0.0022422 k( 110) = ( 0.2910798 0.5041650 -0.0000000), wk = 0.0022422 k( 111) = ( 0.2863850 0.4960333 -0.0000000), wk = 0.0022422 k( 112) = ( 0.2816901 0.4879016 -0.0000000), wk = 0.0022422 k( 113) = ( 0.2769953 0.4797700 -0.0000000), wk = 0.0022422 k( 114) = ( 0.2723005 0.4716382 -0.0000000), wk = 0.0022422 k( 115) = ( 0.2676056 0.4635065 -0.0000000), wk = 0.0022422 k( 116) = ( 0.2629108 0.4553749 -0.0000000), wk = 0.0022422 k( 117) = ( 0.2582160 0.4472432 -0.0000000), wk = 0.0022422 k( 118) = ( 0.2535211 0.4391115 -0.0000000), wk = 0.0022422 k( 119) = ( 0.2488263 0.4309798 -0.0000000), wk = 0.0022422 k( 120) = ( 0.2441315 0.4228481 -0.0000000), wk = 0.0022422 k( 121) = ( 0.2394366 0.4147164 -0.0000000), wk = 0.0022422 k( 122) = ( 0.2347418 0.4065847 -0.0000000), wk = 0.0022422 k( 123) = ( 0.2300470 0.3984530 -0.0000000), wk = 0.0022422 k( 124) = ( 0.2253521 0.3903213 -0.0000000), wk = 0.0022422 k( 125) = ( 0.2206573 0.3821896 -0.0000000), wk = 0.0022422 k( 126) = ( 0.2159624 0.3740579 -0.0000000), wk = 0.0022422 k( 127) = ( 0.2112676 0.3659262 -0.0000000), wk = 0.0022422 k( 128) = ( 0.2065728 0.3577945 -0.0000000), wk = 0.0022422 k( 129) = ( 0.2018779 0.3496628 -0.0000000), wk = 0.0022422 k( 130) = ( 0.1971831 0.3415311 -0.0000000), wk = 0.0022422 k( 131) = ( 0.1924883 0.3333994 -0.0000000), wk = 0.0022422 k( 132) = ( 0.1877934 0.3252678 -0.0000000), wk = 0.0022422 k( 133) = ( 0.1830986 0.3171361 -0.0000000), wk = 0.0022422 k( 134) = ( 0.1784038 0.3090044 -0.0000000), wk = 0.0022422 k( 135) = ( 0.1737089 0.3008727 -0.0000000), wk = 0.0022422 k( 136) = ( 0.1690141 0.2927410 -0.0000000), wk = 0.0022422 k( 137) = ( 0.1643193 0.2846093 -0.0000000), wk = 0.0022422 k( 138) = ( 0.1596244 0.2764776 -0.0000000), wk = 0.0022422 k( 139) = ( 0.1549296 0.2683459 -0.0000000), wk = 0.0022422 k( 140) = ( 0.1502347 0.2602142 -0.0000000), wk = 0.0022422 k( 141) = ( 0.1455399 0.2520825 -0.0000000), wk = 0.0022422 k( 142) = ( 0.1408451 0.2439508 -0.0000000), wk = 0.0022422 k( 143) = ( 0.1361502 0.2358191 -0.0000000), wk = 0.0022422 k( 144) = ( 0.1314554 0.2276874 -0.0000000), wk = 0.0022422 k( 145) = ( 0.1267606 0.2195557 -0.0000000), wk = 0.0022422 k( 146) = ( 0.1220657 0.2114240 -0.0000000), wk = 0.0022422 k( 147) = ( 0.1173709 0.2032923 -0.0000000), wk = 0.0022422 k( 148) = ( 0.1126761 0.1951607 -0.0000000), wk = 0.0022422 k( 149) = ( 0.1079812 0.1870290 -0.0000000), wk = 0.0022422 k( 150) = ( 0.1032864 0.1788973 -0.0000000), wk = 0.0022422 k( 151) = ( 0.0985916 0.1707656 -0.0000000), wk = 0.0022422 k( 152) = ( 0.0938967 0.1626339 -0.0000000), wk = 0.0022422 k( 153) = ( 0.0892019 0.1545022 -0.0000000), wk = 0.0022422 k( 154) = ( 0.0845070 0.1463705 -0.0000000), wk = 0.0022422 k( 155) = ( 0.0798122 0.1382388 -0.0000000), wk = 0.0022422 k( 156) = ( 0.0751174 0.1301071 -0.0000000), wk = 0.0022422 k( 157) = ( 0.0704225 0.1219754 -0.0000000), wk = 0.0022422 k( 158) = ( 0.0657277 0.1138437 -0.0000000), wk = 0.0022422 k( 159) = ( 0.0610329 0.1057120 -0.0000000), wk = 0.0022422 k( 160) = ( 0.0563380 0.0975803 -0.0000000), wk = 0.0022422 k( 161) = ( 0.0516432 0.0894486 -0.0000000), wk = 0.0022422 k( 162) = ( 0.0469484 0.0813169 -0.0000000), wk = 0.0022422 k( 163) = ( 0.0422535 0.0731852 -0.0000000), wk = 0.0022422 k( 164) = ( 0.0375587 0.0650536 -0.0000000), wk = 0.0022422 k( 165) = ( 0.0328639 0.0569219 -0.0000000), wk = 0.0022422 k( 166) = ( 0.0281690 0.0487902 -0.0000000), wk = 0.0022422 k( 167) = ( 0.0234742 0.0406585 -0.0000000), wk = 0.0022422 k( 168) = ( 0.0187793 0.0325268 -0.0000000), wk = 0.0022422 k( 169) = ( 0.0140845 0.0243951 -0.0000000), wk = 0.0022422 k( 170) = ( 0.0093897 0.0162634 -0.0000000), wk = 0.0022422 k( 171) = ( 0.0046948 0.0081317 -0.0000000), wk = 0.0022422 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022422 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022422 k( 174) = ( 0.0000000 0.0000000 0.0092537), wk = 0.0022422 k( 175) = ( 0.0000000 0.0000000 0.0185074), wk = 0.0022422 k( 176) = ( 0.0000000 0.0000000 0.0277611), wk = 0.0022422 k( 177) = ( 0.0000000 0.0000000 0.0370148), wk = 0.0022422 k( 178) = ( 0.0000000 0.0000000 0.0462685), wk = 0.0022422 k( 179) = ( 0.0000000 0.0000000 0.0555222), wk = 0.0022422 k( 180) = ( 0.0000000 0.0000000 0.0647759), wk = 0.0022422 k( 181) = ( 0.0000000 0.0000000 0.0740296), wk = 0.0022422 k( 182) = ( 0.0000000 0.0000000 0.0832833), wk = 0.0022422 k( 183) = ( 0.0000000 0.0000000 0.0925370), wk = 0.0022422 k( 184) = ( 0.0000000 0.0000000 0.1017907), wk = 0.0022422 k( 185) = ( 0.0000000 0.0000000 0.1110444), wk = 0.0022422 k( 186) = ( 0.0000000 0.0000000 0.1202981), wk = 0.0022422 k( 187) = ( 0.0000000 0.0000000 0.1295518), wk = 0.0022422 k( 188) = ( 0.0000000 0.0000000 0.1388055), wk = 0.0022422 k( 189) = ( 0.0000000 0.0000000 0.1480592), wk = 0.0022422 k( 190) = ( 0.0000000 0.0000000 0.1573129), wk = 0.0022422 k( 191) = ( 0.0000000 0.0000000 0.1665666), wk = 0.0022422 k( 192) = ( 0.0000000 0.0000000 0.1758203), wk = 0.0022422 k( 193) = ( 0.0000000 0.0000000 0.1850740), wk = 0.0022422 k( 194) = ( 0.0000000 0.0000000 0.1943277), wk = 0.0022422 k( 195) = ( 0.0000000 0.0000000 0.2035814), wk = 0.0022422 k( 196) = ( 0.0000000 0.0000000 0.2128351), wk = 0.0022422 k( 197) = ( 0.0000000 0.0000000 0.2220888), wk = 0.0022422 k( 198) = ( 0.0000000 0.0000000 0.2313425), wk = 0.0022422 k( 199) = ( 0.0000000 0.0000000 0.2405962), wk = 0.0022422 k( 200) = ( 0.0000000 0.0000000 0.2498499), wk = 0.0022422 k( 201) = ( 0.0000000 0.0000000 0.2591036), wk = 0.0022422 k( 202) = ( 0.0000000 0.0000000 0.2683573), wk = 0.0022422 k( 203) = ( 0.0000000 0.0000000 0.2776110), wk = 0.0022422 k( 204) = ( 0.0000000 0.0000000 0.2868647), wk = 0.0022422 k( 205) = ( 0.0000000 0.0000000 0.2961184), wk = 0.0022422 k( 206) = ( 0.0000000 0.0000000 0.3053721), wk = 0.0022422 k( 207) = ( 0.0000000 0.0000000 0.3053721), wk = 0.0022422 k( 208) = ( 0.0080645 0.0046561 0.3053721), wk = 0.0022422 k( 209) = ( 0.0161290 0.0093121 0.3053721), wk = 0.0022422 k( 210) = ( 0.0241936 0.0139682 0.3053721), wk = 0.0022422 k( 211) = ( 0.0322581 0.0186242 0.3053721), wk = 0.0022422 k( 212) = ( 0.0403226 0.0232803 0.3053721), wk = 0.0022422 k( 213) = ( 0.0483871 0.0279363 0.3053721), wk = 0.0022422 k( 214) = ( 0.0564516 0.0325924 0.3053721), wk = 0.0022422 k( 215) = ( 0.0645161 0.0372484 0.3053721), wk = 0.0022422 k( 216) = ( 0.0725806 0.0419045 0.3053721), wk = 0.0022422 k( 217) = ( 0.0806452 0.0465605 0.3053721), wk = 0.0022422 k( 218) = ( 0.0887097 0.0512166 0.3053721), wk = 0.0022422 k( 219) = ( 0.0967742 0.0558726 0.3053721), wk = 0.0022422 k( 220) = ( 0.1048387 0.0605287 0.3053721), wk = 0.0022422 k( 221) = ( 0.1129032 0.0651847 0.3053721), wk = 0.0022422 k( 222) = ( 0.1209677 0.0698408 0.3053721), wk = 0.0022422 k( 223) = ( 0.1290323 0.0744968 0.3053721), wk = 0.0022422 k( 224) = ( 0.1370968 0.0791529 0.3053721), wk = 0.0022422 k( 225) = ( 0.1451613 0.0838089 0.3053721), wk = 0.0022422 k( 226) = ( 0.1532258 0.0884650 0.3053721), wk = 0.0022422 k( 227) = ( 0.1612903 0.0931210 0.3053721), wk = 0.0022422 k( 228) = ( 0.1693548 0.0977771 0.3053721), wk = 0.0022422 k( 229) = ( 0.1774194 0.1024331 0.3053721), wk = 0.0022422 k( 230) = ( 0.1854839 0.1070892 0.3053721), wk = 0.0022422 k( 231) = ( 0.1935484 0.1117452 0.3053721), wk = 0.0022422 k( 232) = ( 0.2016129 0.1164013 0.3053721), wk = 0.0022422 k( 233) = ( 0.2096774 0.1210573 0.3053721), wk = 0.0022422 k( 234) = ( 0.2177419 0.1257134 0.3053721), wk = 0.0022422 k( 235) = ( 0.2258064 0.1303694 0.3053721), wk = 0.0022422 k( 236) = ( 0.2338710 0.1350255 0.3053721), wk = 0.0022422 k( 237) = ( 0.2419355 0.1396815 0.3053721), wk = 0.0022422 k( 238) = ( 0.2500000 0.1443376 0.3053721), wk = 0.0022422 k( 239) = ( 0.2580645 0.1489936 0.3053721), wk = 0.0022422 k( 240) = ( 0.2661290 0.1536497 0.3053721), wk = 0.0022422 k( 241) = ( 0.2741936 0.1583057 0.3053721), wk = 0.0022422 k( 242) = ( 0.2822581 0.1629618 0.3053721), wk = 0.0022422 k( 243) = ( 0.2903226 0.1676178 0.3053721), wk = 0.0022422 k( 244) = ( 0.2983871 0.1722739 0.3053721), wk = 0.0022422 k( 245) = ( 0.3064516 0.1769299 0.3053721), wk = 0.0022422 k( 246) = ( 0.3145161 0.1815860 0.3053721), wk = 0.0022422 k( 247) = ( 0.3225807 0.1862420 0.3053721), wk = 0.0022422 k( 248) = ( 0.3306452 0.1908981 0.3053721), wk = 0.0022422 k( 249) = ( 0.3387097 0.1955541 0.3053721), wk = 0.0022422 k( 250) = ( 0.3467742 0.2002102 0.3053721), wk = 0.0022422 k( 251) = ( 0.3548387 0.2048662 0.3053721), wk = 0.0022422 k( 252) = ( 0.3629032 0.2095223 0.3053721), wk = 0.0022422 k( 253) = ( 0.3709677 0.2141783 0.3053721), wk = 0.0022422 k( 254) = ( 0.3790323 0.2188344 0.3053721), wk = 0.0022422 k( 255) = ( 0.3870968 0.2234904 0.3053721), wk = 0.0022422 k( 256) = ( 0.3951613 0.2281465 0.3053721), wk = 0.0022422 k( 257) = ( 0.4032258 0.2328025 0.3053721), wk = 0.0022422 k( 258) = ( 0.4112903 0.2374586 0.3053721), wk = 0.0022422 k( 259) = ( 0.4193548 0.2421146 0.3053721), wk = 0.0022422 k( 260) = ( 0.4274193 0.2467707 0.3053721), wk = 0.0022422 k( 261) = ( 0.4354839 0.2514267 0.3053721), wk = 0.0022422 k( 262) = ( 0.4435484 0.2560828 0.3053721), wk = 0.0022422 k( 263) = ( 0.4516129 0.2607388 0.3053721), wk = 0.0022422 k( 264) = ( 0.4596774 0.2653949 0.3053721), wk = 0.0022422 k( 265) = ( 0.4677419 0.2700509 0.3053721), wk = 0.0022422 k( 266) = ( 0.4758064 0.2747070 0.3053721), wk = 0.0022422 k( 267) = ( 0.4838710 0.2793630 0.3053721), wk = 0.0022422 k( 268) = ( 0.4919355 0.2840191 0.3053721), wk = 0.0022422 k( 269) = ( 0.5000000 0.2886751 0.3053721), wk = 0.0022422 k( 270) = ( 0.5000000 0.2886751 0.3053721), wk = 0.0022422 k( 271) = ( 0.4953704 0.2966939 0.3053721), wk = 0.0022422 k( 272) = ( 0.4907407 0.3047126 0.3053721), wk = 0.0022422 k( 273) = ( 0.4861111 0.3127314 0.3053721), wk = 0.0022422 k( 274) = ( 0.4814815 0.3207502 0.3053721), wk = 0.0022422 k( 275) = ( 0.4768519 0.3287689 0.3053721), wk = 0.0022422 k( 276) = ( 0.4722222 0.3367877 0.3053721), wk = 0.0022422 k( 277) = ( 0.4675926 0.3448064 0.3053721), wk = 0.0022422 k( 278) = ( 0.4629630 0.3528252 0.3053721), wk = 0.0022422 k( 279) = ( 0.4583333 0.3608439 0.3053721), wk = 0.0022422 k( 280) = ( 0.4537037 0.3688627 0.3053721), wk = 0.0022422 k( 281) = ( 0.4490741 0.3768814 0.3053721), wk = 0.0022422 k( 282) = ( 0.4444444 0.3849002 0.3053721), wk = 0.0022422 k( 283) = ( 0.4398148 0.3929189 0.3053721), wk = 0.0022422 k( 284) = ( 0.4351852 0.4009377 0.3053721), wk = 0.0022422 k( 285) = ( 0.4305556 0.4089564 0.3053721), wk = 0.0022422 k( 286) = ( 0.4259259 0.4169752 0.3053721), wk = 0.0022422 k( 287) = ( 0.4212963 0.4249940 0.3053721), wk = 0.0022422 k( 288) = ( 0.4166667 0.4330127 0.3053721), wk = 0.0022422 k( 289) = ( 0.4120370 0.4410315 0.3053721), wk = 0.0022422 k( 290) = ( 0.4074074 0.4490502 0.3053721), wk = 0.0022422 k( 291) = ( 0.4027778 0.4570690 0.3053721), wk = 0.0022422 k( 292) = ( 0.3981481 0.4650877 0.3053721), wk = 0.0022422 k( 293) = ( 0.3935185 0.4731065 0.3053721), wk = 0.0022422 k( 294) = ( 0.3888889 0.4811252 0.3053721), wk = 0.0022422 k( 295) = ( 0.3842593 0.4891440 0.3053721), wk = 0.0022422 k( 296) = ( 0.3796296 0.4971627 0.3053721), wk = 0.0022422 k( 297) = ( 0.3750000 0.5051815 0.3053721), wk = 0.0022422 k( 298) = ( 0.3703704 0.5132002 0.3053721), wk = 0.0022422 k( 299) = ( 0.3657407 0.5212190 0.3053721), wk = 0.0022422 k( 300) = ( 0.3611111 0.5292377 0.3053721), wk = 0.0022422 k( 301) = ( 0.3564815 0.5372565 0.3053721), wk = 0.0022422 k( 302) = ( 0.3518519 0.5452753 0.3053721), wk = 0.0022422 k( 303) = ( 0.3472222 0.5532940 0.3053721), wk = 0.0022422 k( 304) = ( 0.3425926 0.5613128 0.3053721), wk = 0.0022422 k( 305) = ( 0.3379630 0.5693315 0.3053721), wk = 0.0022422 k( 306) = ( 0.3333333 0.5773503 0.3053721), wk = 0.0022422 k( 307) = ( 0.3333333 0.5773503 0.3053721), wk = 0.0022422 k( 308) = ( 0.3286385 0.5692186 0.3053721), wk = 0.0022422 k( 309) = ( 0.3239437 0.5610869 0.3053721), wk = 0.0022422 k( 310) = ( 0.3192488 0.5529552 0.3053721), wk = 0.0022422 k( 311) = ( 0.3145540 0.5448235 0.3053721), wk = 0.0022422 k( 312) = ( 0.3098592 0.5366918 0.3053721), wk = 0.0022422 k( 313) = ( 0.3051643 0.5285601 0.3053721), wk = 0.0022422 k( 314) = ( 0.3004695 0.5204284 0.3053721), wk = 0.0022422 k( 315) = ( 0.2957746 0.5122967 0.3053721), wk = 0.0022422 k( 316) = ( 0.2910798 0.5041650 0.3053721), wk = 0.0022422 k( 317) = ( 0.2863850 0.4960333 0.3053721), wk = 0.0022422 k( 318) = ( 0.2816901 0.4879016 0.3053721), wk = 0.0022422 k( 319) = ( 0.2769953 0.4797700 0.3053721), wk = 0.0022422 k( 320) = ( 0.2723005 0.4716382 0.3053721), wk = 0.0022422 k( 321) = ( 0.2676056 0.4635065 0.3053721), wk = 0.0022422 k( 322) = ( 0.2629108 0.4553749 0.3053721), wk = 0.0022422 k( 323) = ( 0.2582160 0.4472432 0.3053721), wk = 0.0022422 k( 324) = ( 0.2535211 0.4391115 0.3053721), wk = 0.0022422 k( 325) = ( 0.2488263 0.4309798 0.3053721), wk = 0.0022422 k( 326) = ( 0.2441315 0.4228481 0.3053721), wk = 0.0022422 k( 327) = ( 0.2394366 0.4147164 0.3053721), wk = 0.0022422 k( 328) = ( 0.2347418 0.4065847 0.3053721), wk = 0.0022422 k( 329) = ( 0.2300470 0.3984530 0.3053721), wk = 0.0022422 k( 330) = ( 0.2253521 0.3903213 0.3053721), wk = 0.0022422 k( 331) = ( 0.2206573 0.3821896 0.3053721), wk = 0.0022422 k( 332) = ( 0.2159624 0.3740579 0.3053721), wk = 0.0022422 k( 333) = ( 0.2112676 0.3659262 0.3053721), wk = 0.0022422 k( 334) = ( 0.2065728 0.3577945 0.3053721), wk = 0.0022422 k( 335) = ( 0.2018779 0.3496628 0.3053721), wk = 0.0022422 k( 336) = ( 0.1971831 0.3415311 0.3053721), wk = 0.0022422 k( 337) = ( 0.1924883 0.3333994 0.3053721), wk = 0.0022422 k( 338) = ( 0.1877934 0.3252678 0.3053721), wk = 0.0022422 k( 339) = ( 0.1830986 0.3171361 0.3053721), wk = 0.0022422 k( 340) = ( 0.1784038 0.3090044 0.3053721), wk = 0.0022422 k( 341) = ( 0.1737089 0.3008727 0.3053721), wk = 0.0022422 k( 342) = ( 0.1690141 0.2927410 0.3053721), wk = 0.0022422 k( 343) = ( 0.1643193 0.2846093 0.3053721), wk = 0.0022422 k( 344) = ( 0.1596244 0.2764776 0.3053721), wk = 0.0022422 k( 345) = ( 0.1549296 0.2683459 0.3053721), wk = 0.0022422 k( 346) = ( 0.1502347 0.2602142 0.3053721), wk = 0.0022422 k( 347) = ( 0.1455399 0.2520825 0.3053721), wk = 0.0022422 k( 348) = ( 0.1408451 0.2439508 0.3053721), wk = 0.0022422 k( 349) = ( 0.1361502 0.2358191 0.3053721), wk = 0.0022422 k( 350) = ( 0.1314554 0.2276874 0.3053721), wk = 0.0022422 k( 351) = ( 0.1267606 0.2195557 0.3053721), wk = 0.0022422 k( 352) = ( 0.1220657 0.2114240 0.3053721), wk = 0.0022422 k( 353) = ( 0.1173709 0.2032923 0.3053721), wk = 0.0022422 k( 354) = ( 0.1126761 0.1951607 0.3053721), wk = 0.0022422 k( 355) = ( 0.1079812 0.1870290 0.3053721), wk = 0.0022422 k( 356) = ( 0.1032864 0.1788973 0.3053721), wk = 0.0022422 k( 357) = ( 0.0985916 0.1707656 0.3053721), wk = 0.0022422 k( 358) = ( 0.0938967 0.1626339 0.3053721), wk = 0.0022422 k( 359) = ( 0.0892019 0.1545022 0.3053721), wk = 0.0022422 k( 360) = ( 0.0845070 0.1463705 0.3053721), wk = 0.0022422 k( 361) = ( 0.0798122 0.1382388 0.3053721), wk = 0.0022422 k( 362) = ( 0.0751174 0.1301071 0.3053721), wk = 0.0022422 k( 363) = ( 0.0704225 0.1219754 0.3053721), wk = 0.0022422 k( 364) = ( 0.0657277 0.1138437 0.3053721), wk = 0.0022422 k( 365) = ( 0.0610329 0.1057120 0.3053721), wk = 0.0022422 k( 366) = ( 0.0563380 0.0975803 0.3053721), wk = 0.0022422 k( 367) = ( 0.0516432 0.0894486 0.3053721), wk = 0.0022422 k( 368) = ( 0.0469484 0.0813169 0.3053721), wk = 0.0022422 k( 369) = ( 0.0422535 0.0731852 0.3053721), wk = 0.0022422 k( 370) = ( 0.0375587 0.0650536 0.3053721), wk = 0.0022422 k( 371) = ( 0.0328639 0.0569219 0.3053721), wk = 0.0022422 k( 372) = ( 0.0281690 0.0487902 0.3053721), wk = 0.0022422 k( 373) = ( 0.0234742 0.0406585 0.3053721), wk = 0.0022422 k( 374) = ( 0.0187793 0.0325268 0.3053721), wk = 0.0022422 k( 375) = ( 0.0140845 0.0243951 0.3053721), wk = 0.0022422 k( 376) = ( 0.0093897 0.0162634 0.3053721), wk = 0.0022422 k( 377) = ( 0.0046948 0.0081317 0.3053721), wk = 0.0022422 k( 378) = ( 0.0000000 0.0000000 0.3053721), wk = 0.0022422 k( 379) = ( 0.5000000 0.2886751 0.3053721), wk = 0.0022422 k( 380) = ( 0.5000000 0.2886751 0.2961184), wk = 0.0022422 k( 381) = ( 0.5000000 0.2886751 0.2868647), wk = 0.0022422 k( 382) = ( 0.5000000 0.2886751 0.2776110), wk = 0.0022422 k( 383) = ( 0.5000000 0.2886751 0.2683573), wk = 0.0022422 k( 384) = ( 0.5000000 0.2886751 0.2591036), wk = 0.0022422 k( 385) = ( 0.5000000 0.2886751 0.2498499), wk = 0.0022422 k( 386) = ( 0.5000000 0.2886751 0.2405962), wk = 0.0022422 k( 387) = ( 0.5000000 0.2886751 0.2313425), wk = 0.0022422 k( 388) = ( 0.5000000 0.2886751 0.2220888), wk = 0.0022422 k( 389) = ( 0.5000000 0.2886751 0.2128351), wk = 0.0022422 k( 390) = ( 0.5000000 0.2886751 0.2035814), wk = 0.0022422 k( 391) = ( 0.5000000 0.2886751 0.1943277), wk = 0.0022422 k( 392) = ( 0.5000000 0.2886751 0.1850740), wk = 0.0022422 k( 393) = ( 0.5000000 0.2886751 0.1758203), wk = 0.0022422 k( 394) = ( 0.5000000 0.2886751 0.1665666), wk = 0.0022422 k( 395) = ( 0.5000000 0.2886751 0.1573129), wk = 0.0022422 k( 396) = ( 0.5000000 0.2886751 0.1480592), wk = 0.0022422 k( 397) = ( 0.5000000 0.2886751 0.1388055), wk = 0.0022422 k( 398) = ( 0.5000000 0.2886751 0.1295518), wk = 0.0022422 k( 399) = ( 0.5000000 0.2886751 0.1202981), wk = 0.0022422 k( 400) = ( 0.5000000 0.2886751 0.1110444), wk = 0.0022422 k( 401) = ( 0.5000000 0.2886751 0.1017907), wk = 0.0022422 k( 402) = ( 0.5000000 0.2886751 0.0925370), wk = 0.0022422 k( 403) = ( 0.5000000 0.2886751 0.0832833), wk = 0.0022422 k( 404) = ( 0.5000000 0.2886751 0.0740296), wk = 0.0022422 k( 405) = ( 0.5000000 0.2886751 0.0647759), wk = 0.0022422 k( 406) = ( 0.5000000 0.2886751 0.0555222), wk = 0.0022422 k( 407) = ( 0.5000000 0.2886751 0.0462685), wk = 0.0022422 k( 408) = ( 0.5000000 0.2886751 0.0370148), wk = 0.0022422 k( 409) = ( 0.5000000 0.2886751 0.0277611), wk = 0.0022422 k( 410) = ( 0.5000000 0.2886751 0.0185074), wk = 0.0022422 k( 411) = ( 0.5000000 0.2886751 0.0092537), wk = 0.0022422 k( 412) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022422 k( 413) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022422 k( 414) = ( 0.3333333 0.5773503 0.0092537), wk = 0.0022422 k( 415) = ( 0.3333333 0.5773503 0.0185074), wk = 0.0022422 k( 416) = ( 0.3333333 0.5773503 0.0277611), wk = 0.0022422 k( 417) = ( 0.3333333 0.5773503 0.0370148), wk = 0.0022422 k( 418) = ( 0.3333333 0.5773503 0.0462685), wk = 0.0022422 k( 419) = ( 0.3333333 0.5773503 0.0555222), wk = 0.0022422 k( 420) = ( 0.3333333 0.5773503 0.0647759), wk = 0.0022422 k( 421) = ( 0.3333333 0.5773503 0.0740296), wk = 0.0022422 k( 422) = ( 0.3333333 0.5773503 0.0832833), wk = 0.0022422 k( 423) = ( 0.3333333 0.5773503 0.0925370), wk = 0.0022422 k( 424) = ( 0.3333333 0.5773503 0.1017907), wk = 0.0022422 k( 425) = ( 0.3333333 0.5773503 0.1110444), wk = 0.0022422 k( 426) = ( 0.3333333 0.5773503 0.1202981), wk = 0.0022422 k( 427) = ( 0.3333333 0.5773503 0.1295518), wk = 0.0022422 k( 428) = ( 0.3333333 0.5773503 0.1388055), wk = 0.0022422 k( 429) = ( 0.3333333 0.5773503 0.1480592), wk = 0.0022422 k( 430) = ( 0.3333333 0.5773503 0.1573129), wk = 0.0022422 k( 431) = ( 0.3333333 0.5773503 0.1665666), wk = 0.0022422 k( 432) = ( 0.3333333 0.5773503 0.1758203), wk = 0.0022422 k( 433) = ( 0.3333333 0.5773503 0.1850740), wk = 0.0022422 k( 434) = ( 0.3333333 0.5773503 0.1943277), wk = 0.0022422 k( 435) = ( 0.3333333 0.5773503 0.2035814), wk = 0.0022422 k( 436) = ( 0.3333333 0.5773503 0.2128351), wk = 0.0022422 k( 437) = ( 0.3333333 0.5773503 0.2220888), wk = 0.0022422 k( 438) = ( 0.3333333 0.5773503 0.2313425), wk = 0.0022422 k( 439) = ( 0.3333333 0.5773503 0.2405962), wk = 0.0022422 k( 440) = ( 0.3333333 0.5773503 0.2498499), wk = 0.0022422 k( 441) = ( 0.3333333 0.5773503 0.2591036), wk = 0.0022422 k( 442) = ( 0.3333333 0.5773503 0.2683573), wk = 0.0022422 k( 443) = ( 0.3333333 0.5773503 0.2776110), wk = 0.0022422 k( 444) = ( 0.3333333 0.5773503 0.2868647), wk = 0.0022422 k( 445) = ( 0.3333333 0.5773503 0.2961184), wk = 0.0022422 k( 446) = ( 0.3333333 0.5773503 0.3053721), wk = 0.0022422 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022422 k( 2) = ( 0.0080645 -0.0000000 0.0000000), wk = 0.0022422 k( 3) = ( 0.0161290 -0.0000000 0.0000000), wk = 0.0022422 k( 4) = ( 0.0241936 -0.0000000 -0.0000000), wk = 0.0022422 k( 5) = ( 0.0322581 -0.0000000 0.0000000), wk = 0.0022422 k( 6) = ( 0.0403226 -0.0000000 -0.0000000), wk = 0.0022422 k( 7) = ( 0.0483871 -0.0000000 -0.0000000), wk = 0.0022422 k( 8) = ( 0.0564516 -0.0000000 0.0000000), wk = 0.0022422 k( 9) = ( 0.0645161 -0.0000000 0.0000000), wk = 0.0022422 k( 10) = ( 0.0725806 -0.0000000 0.0000000), wk = 0.0022422 k( 11) = ( 0.0806452 -0.0000000 -0.0000000), wk = 0.0022422 k( 12) = ( 0.0887097 -0.0000000 0.0000000), wk = 0.0022422 k( 13) = ( 0.0967742 -0.0000000 -0.0000000), wk = 0.0022422 k( 14) = ( 0.1048387 -0.0000000 0.0000000), wk = 0.0022422 k( 15) = ( 0.1129032 -0.0000000 0.0000000), wk = 0.0022422 k( 16) = ( 0.1209677 -0.0000000 0.0000000), wk = 0.0022422 k( 17) = ( 0.1290323 -0.0000000 0.0000000), wk = 0.0022422 k( 18) = ( 0.1370968 -0.0000000 -0.0000000), wk = 0.0022422 k( 19) = ( 0.1451613 -0.0000000 0.0000000), wk = 0.0022422 k( 20) = ( 0.1532258 -0.0000000 -0.0000000), wk = 0.0022422 k( 21) = ( 0.1612903 -0.0000000 -0.0000000), wk = 0.0022422 k( 22) = ( 0.1693548 -0.0000000 -0.0000000), wk = 0.0022422 k( 23) = ( 0.1774194 -0.0000000 0.0000000), wk = 0.0022422 k( 24) = ( 0.1854839 -0.0000000 0.0000000), wk = 0.0022422 k( 25) = ( 0.1935484 -0.0000000 0.0000000), wk = 0.0022422 k( 26) = ( 0.2016129 -0.0000000 -0.0000000), wk = 0.0022422 k( 27) = ( 0.2096774 -0.0000000 0.0000000), wk = 0.0022422 k( 28) = ( 0.2177419 -0.0000000 0.0000000), wk = 0.0022422 k( 29) = ( 0.2258064 -0.0000000 -0.0000000), wk = 0.0022422 k( 30) = ( 0.2338710 -0.0000000 -0.0000000), wk = 0.0022422 k( 31) = ( 0.2419355 -0.0000000 0.0000000), wk = 0.0022422 k( 32) = ( 0.2500000 -0.0000000 0.0000000), wk = 0.0022422 k( 33) = ( 0.2580645 -0.0000000 0.0000000), wk = 0.0022422 k( 34) = ( 0.2661290 -0.0000000 0.0000000), wk = 0.0022422 k( 35) = ( 0.2741936 -0.0000000 0.0000000), wk = 0.0022422 k( 36) = ( 0.2822581 -0.0000000 0.0000000), wk = 0.0022422 k( 37) = ( 0.2903226 -0.0000000 0.0000000), wk = 0.0022422 k( 38) = ( 0.2983871 -0.0000000 0.0000000), wk = 0.0022422 k( 39) = ( 0.3064516 -0.0000000 -0.0000000), wk = 0.0022422 k( 40) = ( 0.3145161 -0.0000000 0.0000000), wk = 0.0022422 k( 41) = ( 0.3225807 -0.0000000 0.0000000), wk = 0.0022422 k( 42) = ( 0.3306452 -0.0000000 -0.0000000), wk = 0.0022422 k( 43) = ( 0.3387097 -0.0000000 -0.0000000), wk = 0.0022422 k( 44) = ( 0.3467742 -0.0000000 0.0000000), wk = 0.0022422 k( 45) = ( 0.3548387 -0.0000000 0.0000000), wk = 0.0022422 k( 46) = ( 0.3629032 -0.0000000 0.0000000), wk = 0.0022422 k( 47) = ( 0.3709677 -0.0000000 0.0000000), wk = 0.0022422 k( 48) = ( 0.3790323 -0.0000000 0.0000000), wk = 0.0022422 k( 49) = ( 0.3870968 -0.0000000 0.0000000), wk = 0.0022422 k( 50) = ( 0.3951613 -0.0000000 -0.0000000), wk = 0.0022422 k( 51) = ( 0.4032258 -0.0000000 -0.0000000), wk = 0.0022422 k( 52) = ( 0.4112903 -0.0000000 0.0000000), wk = 0.0022422 k( 53) = ( 0.4193548 -0.0000000 0.0000000), wk = 0.0022422 k( 54) = ( 0.4274193 -0.0000000 0.0000000), wk = 0.0022422 k( 55) = ( 0.4354839 -0.0000000 -0.0000000), wk = 0.0022422 k( 56) = ( 0.4435484 -0.0000000 0.0000000), wk = 0.0022422 k( 57) = ( 0.4516129 -0.0000000 -0.0000000), wk = 0.0022422 k( 58) = ( 0.4596774 -0.0000000 0.0000000), wk = 0.0022422 k( 59) = ( 0.4677419 -0.0000000 -0.0000000), wk = 0.0022422 k( 60) = ( 0.4758064 -0.0000000 0.0000000), wk = 0.0022422 k( 61) = ( 0.4838710 -0.0000000 0.0000000), wk = 0.0022422 k( 62) = ( 0.4919355 0.0000000 0.0000000), wk = 0.0022422 k( 63) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0022422 k( 64) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0022422 k( 65) = ( 0.4953704 0.0092593 0.0000000), wk = 0.0022422 k( 66) = ( 0.4907407 0.0185185 0.0000000), wk = 0.0022422 k( 67) = ( 0.4861111 0.0277778 -0.0000000), wk = 0.0022422 k( 68) = ( 0.4814815 0.0370370 -0.0000000), wk = 0.0022422 k( 69) = ( 0.4768519 0.0462963 0.0000000), wk = 0.0022422 k( 70) = ( 0.4722222 0.0555556 0.0000000), wk = 0.0022422 k( 71) = ( 0.4675926 0.0648148 0.0000000), wk = 0.0022422 k( 72) = ( 0.4629630 0.0740741 -0.0000000), wk = 0.0022422 k( 73) = ( 0.4583333 0.0833333 0.0000000), wk = 0.0022422 k( 74) = ( 0.4537037 0.0925926 -0.0000000), wk = 0.0022422 k( 75) = ( 0.4490741 0.1018518 0.0000000), wk = 0.0022422 k( 76) = ( 0.4444444 0.1111111 0.0000000), wk = 0.0022422 k( 77) = ( 0.4398148 0.1203704 0.0000000), wk = 0.0022422 k( 78) = ( 0.4351852 0.1296296 -0.0000000), wk = 0.0022422 k( 79) = ( 0.4305556 0.1388889 0.0000000), wk = 0.0022422 k( 80) = ( 0.4259259 0.1481482 0.0000000), wk = 0.0022422 k( 81) = ( 0.4212963 0.1574074 -0.0000000), wk = 0.0022422 k( 82) = ( 0.4166667 0.1666667 0.0000000), wk = 0.0022422 k( 83) = ( 0.4120370 0.1759259 -0.0000000), wk = 0.0022422 k( 84) = ( 0.4074074 0.1851852 0.0000000), wk = 0.0022422 k( 85) = ( 0.4027778 0.1944444 0.0000000), wk = 0.0022422 k( 86) = ( 0.3981481 0.2037037 -0.0000000), wk = 0.0022422 k( 87) = ( 0.3935185 0.2129630 0.0000000), wk = 0.0022422 k( 88) = ( 0.3888889 0.2222222 -0.0000000), wk = 0.0022422 k( 89) = ( 0.3842593 0.2314815 -0.0000000), wk = 0.0022422 k( 90) = ( 0.3796296 0.2407407 0.0000000), wk = 0.0022422 k( 91) = ( 0.3750000 0.2500000 -0.0000000), wk = 0.0022422 k( 92) = ( 0.3703704 0.2592593 0.0000000), wk = 0.0022422 k( 93) = ( 0.3657407 0.2685185 -0.0000000), wk = 0.0022422 k( 94) = ( 0.3611111 0.2777778 0.0000000), wk = 0.0022422 k( 95) = ( 0.3564815 0.2870370 0.0000000), wk = 0.0022422 k( 96) = ( 0.3518519 0.2962963 -0.0000000), wk = 0.0022422 k( 97) = ( 0.3472222 0.3055556 -0.0000000), wk = 0.0022422 k( 98) = ( 0.3425926 0.3148148 0.0000000), wk = 0.0022422 k( 99) = ( 0.3379630 0.3240741 -0.0000000), wk = 0.0022422 k( 100) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0022422 k( 101) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0022422 k( 102) = ( 0.3286385 0.3286385 -0.0000000), wk = 0.0022422 k( 103) = ( 0.3239437 0.3239437 0.0000000), wk = 0.0022422 k( 104) = ( 0.3192488 0.3192488 0.0000000), wk = 0.0022422 k( 105) = ( 0.3145540 0.3145540 0.0000000), wk = 0.0022422 k( 106) = ( 0.3098592 0.3098592 0.0000000), wk = 0.0022422 k( 107) = ( 0.3051643 0.3051643 -0.0000000), wk = 0.0022422 k( 108) = ( 0.3004695 0.3004695 0.0000000), wk = 0.0022422 k( 109) = ( 0.2957746 0.2957746 0.0000000), wk = 0.0022422 k( 110) = ( 0.2910798 0.2910798 -0.0000000), wk = 0.0022422 k( 111) = ( 0.2863850 0.2863850 0.0000000), wk = 0.0022422 k( 112) = ( 0.2816901 0.2816901 -0.0000000), wk = 0.0022422 k( 113) = ( 0.2769953 0.2769953 0.0000000), wk = 0.0022422 k( 114) = ( 0.2723005 0.2723005 0.0000000), wk = 0.0022422 k( 115) = ( 0.2676056 0.2676056 0.0000000), wk = 0.0022422 k( 116) = ( 0.2629108 0.2629108 -0.0000000), wk = 0.0022422 k( 117) = ( 0.2582160 0.2582160 -0.0000000), wk = 0.0022422 k( 118) = ( 0.2535211 0.2535211 -0.0000000), wk = 0.0022422 k( 119) = ( 0.2488263 0.2488263 0.0000000), wk = 0.0022422 k( 120) = ( 0.2441315 0.2441315 0.0000000), wk = 0.0022422 k( 121) = ( 0.2394366 0.2394366 0.0000000), wk = 0.0022422 k( 122) = ( 0.2347418 0.2347418 -0.0000000), wk = 0.0022422 k( 123) = ( 0.2300470 0.2300469 -0.0000000), wk = 0.0022422 k( 124) = ( 0.2253521 0.2253521 -0.0000000), wk = 0.0022422 k( 125) = ( 0.2206573 0.2206573 -0.0000000), wk = 0.0022422 k( 126) = ( 0.2159624 0.2159624 -0.0000000), wk = 0.0022422 k( 127) = ( 0.2112676 0.2112676 0.0000000), wk = 0.0022422 k( 128) = ( 0.2065728 0.2065728 0.0000000), wk = 0.0022422 k( 129) = ( 0.2018779 0.2018779 0.0000000), wk = 0.0022422 k( 130) = ( 0.1971831 0.1971831 -0.0000000), wk = 0.0022422 k( 131) = ( 0.1924883 0.1924883 -0.0000000), wk = 0.0022422 k( 132) = ( 0.1877934 0.1877934 0.0000000), wk = 0.0022422 k( 133) = ( 0.1830986 0.1830986 -0.0000000), wk = 0.0022422 k( 134) = ( 0.1784038 0.1784038 -0.0000000), wk = 0.0022422 k( 135) = ( 0.1737089 0.1737089 0.0000000), wk = 0.0022422 k( 136) = ( 0.1690141 0.1690141 0.0000000), wk = 0.0022422 k( 137) = ( 0.1643193 0.1643192 -0.0000000), wk = 0.0022422 k( 138) = ( 0.1596244 0.1596244 0.0000000), wk = 0.0022422 k( 139) = ( 0.1549296 0.1549296 0.0000000), wk = 0.0022422 k( 140) = ( 0.1502347 0.1502347 0.0000000), wk = 0.0022422 k( 141) = ( 0.1455399 0.1455399 -0.0000000), wk = 0.0022422 k( 142) = ( 0.1408451 0.1408451 -0.0000000), wk = 0.0022422 k( 143) = ( 0.1361502 0.1361502 -0.0000000), wk = 0.0022422 k( 144) = ( 0.1314554 0.1314554 -0.0000000), wk = 0.0022422 k( 145) = ( 0.1267606 0.1267606 0.0000000), wk = 0.0022422 k( 146) = ( 0.1220657 0.1220657 0.0000000), wk = 0.0022422 k( 147) = ( 0.1173709 0.1173709 -0.0000000), wk = 0.0022422 k( 148) = ( 0.1126761 0.1126761 0.0000000), wk = 0.0022422 k( 149) = ( 0.1079812 0.1079812 -0.0000000), wk = 0.0022422 k( 150) = ( 0.1032864 0.1032864 -0.0000000), wk = 0.0022422 k( 151) = ( 0.0985916 0.0985915 -0.0000000), wk = 0.0022422 k( 152) = ( 0.0938967 0.0938967 -0.0000000), wk = 0.0022422 k( 153) = ( 0.0892019 0.0892019 -0.0000000), wk = 0.0022422 k( 154) = ( 0.0845070 0.0845070 0.0000000), wk = 0.0022422 k( 155) = ( 0.0798122 0.0798122 0.0000000), wk = 0.0022422 k( 156) = ( 0.0751174 0.0751174 0.0000000), wk = 0.0022422 k( 157) = ( 0.0704225 0.0704225 -0.0000000), wk = 0.0022422 k( 158) = ( 0.0657277 0.0657277 -0.0000000), wk = 0.0022422 k( 159) = ( 0.0610329 0.0610329 0.0000000), wk = 0.0022422 k( 160) = ( 0.0563380 0.0563380 0.0000000), wk = 0.0022422 k( 161) = ( 0.0516432 0.0516432 -0.0000000), wk = 0.0022422 k( 162) = ( 0.0469484 0.0469484 -0.0000000), wk = 0.0022422 k( 163) = ( 0.0422535 0.0422535 0.0000000), wk = 0.0022422 k( 164) = ( 0.0375587 0.0375587 -0.0000000), wk = 0.0022422 k( 165) = ( 0.0328639 0.0328638 -0.0000000), wk = 0.0022422 k( 166) = ( 0.0281690 0.0281690 0.0000000), wk = 0.0022422 k( 167) = ( 0.0234742 0.0234742 -0.0000000), wk = 0.0022422 k( 168) = ( 0.0187793 0.0187793 0.0000000), wk = 0.0022422 k( 169) = ( 0.0140845 0.0140845 -0.0000000), wk = 0.0022422 k( 170) = ( 0.0093897 0.0093897 0.0000000), wk = 0.0022422 k( 171) = ( 0.0046948 0.0046948 -0.0000000), wk = 0.0022422 k( 172) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022422 k( 173) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022422 k( 174) = ( 0.0000000 0.0000000 0.0151515), wk = 0.0022422 k( 175) = ( 0.0000000 0.0000000 0.0303030), wk = 0.0022422 k( 176) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0022422 k( 177) = ( 0.0000000 0.0000000 0.0606061), wk = 0.0022422 k( 178) = ( 0.0000000 0.0000000 0.0757576), wk = 0.0022422 k( 179) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0022422 k( 180) = ( 0.0000000 0.0000000 0.1060606), wk = 0.0022422 k( 181) = ( 0.0000000 0.0000000 0.1212121), wk = 0.0022422 k( 182) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0022422 k( 183) = ( 0.0000000 0.0000000 0.1515151), wk = 0.0022422 k( 184) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0022422 k( 185) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0022422 k( 186) = ( 0.0000000 0.0000000 0.1969697), wk = 0.0022422 k( 187) = ( 0.0000000 0.0000000 0.2121212), wk = 0.0022422 k( 188) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0022422 k( 189) = ( 0.0000000 0.0000000 0.2424242), wk = 0.0022422 k( 190) = ( 0.0000000 0.0000000 0.2575758), wk = 0.0022422 k( 191) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0022422 k( 192) = ( 0.0000000 0.0000000 0.2878788), wk = 0.0022422 k( 193) = ( 0.0000000 0.0000000 0.3030303), wk = 0.0022422 k( 194) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0022422 k( 195) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0022422 k( 196) = ( 0.0000000 0.0000000 0.3484849), wk = 0.0022422 k( 197) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0022422 k( 198) = ( 0.0000000 0.0000000 0.3787879), wk = 0.0022422 k( 199) = ( 0.0000000 0.0000000 0.3939394), wk = 0.0022422 k( 200) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0022422 k( 201) = ( 0.0000000 0.0000000 0.4242424), wk = 0.0022422 k( 202) = ( 0.0000000 0.0000000 0.4393939), wk = 0.0022422 k( 203) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0022422 k( 204) = ( 0.0000000 0.0000000 0.4696970), wk = 0.0022422 k( 205) = ( 0.0000000 0.0000000 0.4848485), wk = 0.0022422 k( 206) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022422 k( 207) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022422 k( 208) = ( 0.0080645 -0.0000000 0.5000000), wk = 0.0022422 k( 209) = ( 0.0161290 -0.0000000 0.5000000), wk = 0.0022422 k( 210) = ( 0.0241936 -0.0000000 0.5000000), wk = 0.0022422 k( 211) = ( 0.0322581 -0.0000000 0.5000000), wk = 0.0022422 k( 212) = ( 0.0403226 -0.0000000 0.5000000), wk = 0.0022422 k( 213) = ( 0.0483871 -0.0000000 0.5000000), wk = 0.0022422 k( 214) = ( 0.0564516 -0.0000000 0.5000000), wk = 0.0022422 k( 215) = ( 0.0645161 -0.0000000 0.5000000), wk = 0.0022422 k( 216) = ( 0.0725806 -0.0000000 0.5000000), wk = 0.0022422 k( 217) = ( 0.0806452 -0.0000000 0.5000000), wk = 0.0022422 k( 218) = ( 0.0887097 -0.0000000 0.5000000), wk = 0.0022422 k( 219) = ( 0.0967742 -0.0000000 0.5000000), wk = 0.0022422 k( 220) = ( 0.1048387 -0.0000000 0.5000000), wk = 0.0022422 k( 221) = ( 0.1129032 -0.0000000 0.5000000), wk = 0.0022422 k( 222) = ( 0.1209677 -0.0000000 0.5000000), wk = 0.0022422 k( 223) = ( 0.1290323 -0.0000000 0.5000000), wk = 0.0022422 k( 224) = ( 0.1370968 -0.0000000 0.5000000), wk = 0.0022422 k( 225) = ( 0.1451613 -0.0000000 0.5000000), wk = 0.0022422 k( 226) = ( 0.1532258 -0.0000000 0.5000000), wk = 0.0022422 k( 227) = ( 0.1612903 -0.0000000 0.5000000), wk = 0.0022422 k( 228) = ( 0.1693548 -0.0000000 0.5000000), wk = 0.0022422 k( 229) = ( 0.1774194 -0.0000000 0.5000000), wk = 0.0022422 k( 230) = ( 0.1854839 -0.0000000 0.5000000), wk = 0.0022422 k( 231) = ( 0.1935484 -0.0000000 0.5000000), wk = 0.0022422 k( 232) = ( 0.2016129 -0.0000000 0.5000000), wk = 0.0022422 k( 233) = ( 0.2096774 -0.0000000 0.5000000), wk = 0.0022422 k( 234) = ( 0.2177419 -0.0000000 0.5000000), wk = 0.0022422 k( 235) = ( 0.2258064 -0.0000000 0.5000000), wk = 0.0022422 k( 236) = ( 0.2338710 -0.0000000 0.5000000), wk = 0.0022422 k( 237) = ( 0.2419355 -0.0000000 0.5000000), wk = 0.0022422 k( 238) = ( 0.2500000 -0.0000000 0.5000000), wk = 0.0022422 k( 239) = ( 0.2580645 -0.0000000 0.5000000), wk = 0.0022422 k( 240) = ( 0.2661290 -0.0000000 0.5000000), wk = 0.0022422 k( 241) = ( 0.2741936 -0.0000000 0.5000000), wk = 0.0022422 k( 242) = ( 0.2822581 -0.0000000 0.5000000), wk = 0.0022422 k( 243) = ( 0.2903226 -0.0000000 0.5000000), wk = 0.0022422 k( 244) = ( 0.2983871 -0.0000000 0.5000000), wk = 0.0022422 k( 245) = ( 0.3064516 -0.0000000 0.5000000), wk = 0.0022422 k( 246) = ( 0.3145161 -0.0000000 0.5000000), wk = 0.0022422 k( 247) = ( 0.3225807 -0.0000000 0.5000000), wk = 0.0022422 k( 248) = ( 0.3306452 -0.0000000 0.5000000), wk = 0.0022422 k( 249) = ( 0.3387097 -0.0000000 0.5000000), wk = 0.0022422 k( 250) = ( 0.3467742 -0.0000000 0.5000000), wk = 0.0022422 k( 251) = ( 0.3548387 -0.0000000 0.5000000), wk = 0.0022422 k( 252) = ( 0.3629032 -0.0000000 0.5000000), wk = 0.0022422 k( 253) = ( 0.3709677 -0.0000000 0.5000000), wk = 0.0022422 k( 254) = ( 0.3790323 -0.0000000 0.5000000), wk = 0.0022422 k( 255) = ( 0.3870968 -0.0000000 0.5000000), wk = 0.0022422 k( 256) = ( 0.3951613 -0.0000000 0.5000000), wk = 0.0022422 k( 257) = ( 0.4032258 -0.0000000 0.5000000), wk = 0.0022422 k( 258) = ( 0.4112903 -0.0000000 0.5000000), wk = 0.0022422 k( 259) = ( 0.4193548 -0.0000000 0.5000000), wk = 0.0022422 k( 260) = ( 0.4274193 -0.0000000 0.5000000), wk = 0.0022422 k( 261) = ( 0.4354839 -0.0000000 0.5000000), wk = 0.0022422 k( 262) = ( 0.4435484 -0.0000000 0.5000000), wk = 0.0022422 k( 263) = ( 0.4516129 -0.0000000 0.5000000), wk = 0.0022422 k( 264) = ( 0.4596774 -0.0000000 0.5000000), wk = 0.0022422 k( 265) = ( 0.4677419 -0.0000000 0.5000000), wk = 0.0022422 k( 266) = ( 0.4758064 -0.0000000 0.5000000), wk = 0.0022422 k( 267) = ( 0.4838710 -0.0000000 0.5000000), wk = 0.0022422 k( 268) = ( 0.4919355 0.0000000 0.5000000), wk = 0.0022422 k( 269) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0022422 k( 270) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0022422 k( 271) = ( 0.4953704 0.0092593 0.5000000), wk = 0.0022422 k( 272) = ( 0.4907407 0.0185185 0.5000000), wk = 0.0022422 k( 273) = ( 0.4861111 0.0277778 0.5000000), wk = 0.0022422 k( 274) = ( 0.4814815 0.0370370 0.5000000), wk = 0.0022422 k( 275) = ( 0.4768519 0.0462963 0.5000000), wk = 0.0022422 k( 276) = ( 0.4722222 0.0555556 0.5000000), wk = 0.0022422 k( 277) = ( 0.4675926 0.0648148 0.5000000), wk = 0.0022422 k( 278) = ( 0.4629630 0.0740741 0.5000000), wk = 0.0022422 k( 279) = ( 0.4583333 0.0833333 0.5000000), wk = 0.0022422 k( 280) = ( 0.4537037 0.0925926 0.5000000), wk = 0.0022422 k( 281) = ( 0.4490741 0.1018518 0.5000000), wk = 0.0022422 k( 282) = ( 0.4444444 0.1111111 0.5000000), wk = 0.0022422 k( 283) = ( 0.4398148 0.1203704 0.5000000), wk = 0.0022422 k( 284) = ( 0.4351852 0.1296296 0.5000000), wk = 0.0022422 k( 285) = ( 0.4305556 0.1388889 0.5000000), wk = 0.0022422 k( 286) = ( 0.4259259 0.1481482 0.5000000), wk = 0.0022422 k( 287) = ( 0.4212963 0.1574074 0.5000000), wk = 0.0022422 k( 288) = ( 0.4166667 0.1666667 0.5000000), wk = 0.0022422 k( 289) = ( 0.4120370 0.1759259 0.5000000), wk = 0.0022422 k( 290) = ( 0.4074074 0.1851852 0.5000000), wk = 0.0022422 k( 291) = ( 0.4027778 0.1944444 0.5000000), wk = 0.0022422 k( 292) = ( 0.3981481 0.2037037 0.5000000), wk = 0.0022422 k( 293) = ( 0.3935185 0.2129630 0.5000000), wk = 0.0022422 k( 294) = ( 0.3888889 0.2222222 0.5000000), wk = 0.0022422 k( 295) = ( 0.3842593 0.2314815 0.5000000), wk = 0.0022422 k( 296) = ( 0.3796296 0.2407407 0.5000000), wk = 0.0022422 k( 297) = ( 0.3750000 0.2500000 0.5000000), wk = 0.0022422 k( 298) = ( 0.3703704 0.2592593 0.5000000), wk = 0.0022422 k( 299) = ( 0.3657407 0.2685185 0.5000000), wk = 0.0022422 k( 300) = ( 0.3611111 0.2777778 0.5000000), wk = 0.0022422 k( 301) = ( 0.3564815 0.2870370 0.5000000), wk = 0.0022422 k( 302) = ( 0.3518519 0.2962963 0.5000000), wk = 0.0022422 k( 303) = ( 0.3472222 0.3055556 0.5000000), wk = 0.0022422 k( 304) = ( 0.3425926 0.3148148 0.5000000), wk = 0.0022422 k( 305) = ( 0.3379630 0.3240741 0.5000000), wk = 0.0022422 k( 306) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022422 k( 307) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022422 k( 308) = ( 0.3286385 0.3286385 0.5000000), wk = 0.0022422 k( 309) = ( 0.3239437 0.3239437 0.5000000), wk = 0.0022422 k( 310) = ( 0.3192488 0.3192488 0.5000000), wk = 0.0022422 k( 311) = ( 0.3145540 0.3145540 0.5000000), wk = 0.0022422 k( 312) = ( 0.3098592 0.3098592 0.5000000), wk = 0.0022422 k( 313) = ( 0.3051643 0.3051643 0.5000000), wk = 0.0022422 k( 314) = ( 0.3004695 0.3004695 0.5000000), wk = 0.0022422 k( 315) = ( 0.2957746 0.2957746 0.5000000), wk = 0.0022422 k( 316) = ( 0.2910798 0.2910798 0.5000000), wk = 0.0022422 k( 317) = ( 0.2863850 0.2863850 0.5000000), wk = 0.0022422 k( 318) = ( 0.2816901 0.2816901 0.5000000), wk = 0.0022422 k( 319) = ( 0.2769953 0.2769953 0.5000000), wk = 0.0022422 k( 320) = ( 0.2723005 0.2723005 0.5000000), wk = 0.0022422 k( 321) = ( 0.2676056 0.2676056 0.5000000), wk = 0.0022422 k( 322) = ( 0.2629108 0.2629108 0.5000000), wk = 0.0022422 k( 323) = ( 0.2582160 0.2582160 0.5000000), wk = 0.0022422 k( 324) = ( 0.2535211 0.2535211 0.5000000), wk = 0.0022422 k( 325) = ( 0.2488263 0.2488263 0.5000000), wk = 0.0022422 k( 326) = ( 0.2441315 0.2441315 0.5000000), wk = 0.0022422 k( 327) = ( 0.2394366 0.2394366 0.5000000), wk = 0.0022422 k( 328) = ( 0.2347418 0.2347418 0.5000000), wk = 0.0022422 k( 329) = ( 0.2300470 0.2300469 0.5000000), wk = 0.0022422 k( 330) = ( 0.2253521 0.2253521 0.5000000), wk = 0.0022422 k( 331) = ( 0.2206573 0.2206573 0.5000000), wk = 0.0022422 k( 332) = ( 0.2159624 0.2159624 0.5000000), wk = 0.0022422 k( 333) = ( 0.2112676 0.2112676 0.5000000), wk = 0.0022422 k( 334) = ( 0.2065728 0.2065728 0.5000000), wk = 0.0022422 k( 335) = ( 0.2018779 0.2018779 0.5000000), wk = 0.0022422 k( 336) = ( 0.1971831 0.1971831 0.5000000), wk = 0.0022422 k( 337) = ( 0.1924883 0.1924883 0.5000000), wk = 0.0022422 k( 338) = ( 0.1877934 0.1877934 0.5000000), wk = 0.0022422 k( 339) = ( 0.1830986 0.1830986 0.5000000), wk = 0.0022422 k( 340) = ( 0.1784038 0.1784038 0.5000000), wk = 0.0022422 k( 341) = ( 0.1737089 0.1737089 0.5000000), wk = 0.0022422 k( 342) = ( 0.1690141 0.1690141 0.5000000), wk = 0.0022422 k( 343) = ( 0.1643193 0.1643192 0.5000000), wk = 0.0022422 k( 344) = ( 0.1596244 0.1596244 0.5000000), wk = 0.0022422 k( 345) = ( 0.1549296 0.1549296 0.5000000), wk = 0.0022422 k( 346) = ( 0.1502347 0.1502347 0.5000000), wk = 0.0022422 k( 347) = ( 0.1455399 0.1455399 0.5000000), wk = 0.0022422 k( 348) = ( 0.1408451 0.1408451 0.5000000), wk = 0.0022422 k( 349) = ( 0.1361502 0.1361502 0.5000000), wk = 0.0022422 k( 350) = ( 0.1314554 0.1314554 0.5000000), wk = 0.0022422 k( 351) = ( 0.1267606 0.1267606 0.5000000), wk = 0.0022422 k( 352) = ( 0.1220657 0.1220657 0.5000000), wk = 0.0022422 k( 353) = ( 0.1173709 0.1173709 0.5000000), wk = 0.0022422 k( 354) = ( 0.1126761 0.1126761 0.5000000), wk = 0.0022422 k( 355) = ( 0.1079812 0.1079812 0.5000000), wk = 0.0022422 k( 356) = ( 0.1032864 0.1032864 0.5000000), wk = 0.0022422 k( 357) = ( 0.0985916 0.0985915 0.5000000), wk = 0.0022422 k( 358) = ( 0.0938967 0.0938967 0.5000000), wk = 0.0022422 k( 359) = ( 0.0892019 0.0892019 0.5000000), wk = 0.0022422 k( 360) = ( 0.0845070 0.0845070 0.5000000), wk = 0.0022422 k( 361) = ( 0.0798122 0.0798122 0.5000000), wk = 0.0022422 k( 362) = ( 0.0751174 0.0751174 0.5000000), wk = 0.0022422 k( 363) = ( 0.0704225 0.0704225 0.5000000), wk = 0.0022422 k( 364) = ( 0.0657277 0.0657277 0.5000000), wk = 0.0022422 k( 365) = ( 0.0610329 0.0610329 0.5000000), wk = 0.0022422 k( 366) = ( 0.0563380 0.0563380 0.5000000), wk = 0.0022422 k( 367) = ( 0.0516432 0.0516432 0.5000000), wk = 0.0022422 k( 368) = ( 0.0469484 0.0469484 0.5000000), wk = 0.0022422 k( 369) = ( 0.0422535 0.0422535 0.5000000), wk = 0.0022422 k( 370) = ( 0.0375587 0.0375587 0.5000000), wk = 0.0022422 k( 371) = ( 0.0328639 0.0328638 0.5000000), wk = 0.0022422 k( 372) = ( 0.0281690 0.0281690 0.5000000), wk = 0.0022422 k( 373) = ( 0.0234742 0.0234742 0.5000000), wk = 0.0022422 k( 374) = ( 0.0187793 0.0187793 0.5000000), wk = 0.0022422 k( 375) = ( 0.0140845 0.0140845 0.5000000), wk = 0.0022422 k( 376) = ( 0.0093897 0.0093897 0.5000000), wk = 0.0022422 k( 377) = ( 0.0046948 0.0046948 0.5000000), wk = 0.0022422 k( 378) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022422 k( 379) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0022422 k( 380) = ( 0.5000000 -0.0000000 0.4848485), wk = 0.0022422 k( 381) = ( 0.5000000 -0.0000000 0.4696970), wk = 0.0022422 k( 382) = ( 0.5000000 -0.0000000 0.4545455), wk = 0.0022422 k( 383) = ( 0.5000000 -0.0000000 0.4393939), wk = 0.0022422 k( 384) = ( 0.5000000 -0.0000000 0.4242424), wk = 0.0022422 k( 385) = ( 0.5000000 -0.0000000 0.4090909), wk = 0.0022422 k( 386) = ( 0.5000000 -0.0000000 0.3939394), wk = 0.0022422 k( 387) = ( 0.5000000 -0.0000000 0.3787879), wk = 0.0022422 k( 388) = ( 0.5000000 -0.0000000 0.3636364), wk = 0.0022422 k( 389) = ( 0.5000000 -0.0000000 0.3484849), wk = 0.0022422 k( 390) = ( 0.5000000 -0.0000000 0.3333333), wk = 0.0022422 k( 391) = ( 0.5000000 -0.0000000 0.3181818), wk = 0.0022422 k( 392) = ( 0.5000000 -0.0000000 0.3030303), wk = 0.0022422 k( 393) = ( 0.5000000 -0.0000000 0.2878788), wk = 0.0022422 k( 394) = ( 0.5000000 -0.0000000 0.2727273), wk = 0.0022422 k( 395) = ( 0.5000000 -0.0000000 0.2575758), wk = 0.0022422 k( 396) = ( 0.5000000 -0.0000000 0.2424242), wk = 0.0022422 k( 397) = ( 0.5000000 -0.0000000 0.2272727), wk = 0.0022422 k( 398) = ( 0.5000000 -0.0000000 0.2121212), wk = 0.0022422 k( 399) = ( 0.5000000 -0.0000000 0.1969697), wk = 0.0022422 k( 400) = ( 0.5000000 -0.0000000 0.1818182), wk = 0.0022422 k( 401) = ( 0.5000000 -0.0000000 0.1666667), wk = 0.0022422 k( 402) = ( 0.5000000 -0.0000000 0.1515151), wk = 0.0022422 k( 403) = ( 0.5000000 -0.0000000 0.1363636), wk = 0.0022422 k( 404) = ( 0.5000000 -0.0000000 0.1212121), wk = 0.0022422 k( 405) = ( 0.5000000 -0.0000000 0.1060606), wk = 0.0022422 k( 406) = ( 0.5000000 -0.0000000 0.0909091), wk = 0.0022422 k( 407) = ( 0.5000000 -0.0000000 0.0757576), wk = 0.0022422 k( 408) = ( 0.5000000 -0.0000000 0.0606061), wk = 0.0022422 k( 409) = ( 0.5000000 -0.0000000 0.0454546), wk = 0.0022422 k( 410) = ( 0.5000000 -0.0000000 0.0303030), wk = 0.0022422 k( 411) = ( 0.5000000 -0.0000000 0.0151515), wk = 0.0022422 k( 412) = ( 0.5000000 -0.0000000 0.0000000), wk = 0.0022422 k( 413) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0022422 k( 414) = ( 0.3333333 0.3333333 0.0151515), wk = 0.0022422 k( 415) = ( 0.3333333 0.3333333 0.0303030), wk = 0.0022422 k( 416) = ( 0.3333333 0.3333333 0.0454546), wk = 0.0022422 k( 417) = ( 0.3333333 0.3333333 0.0606061), wk = 0.0022422 k( 418) = ( 0.3333333 0.3333333 0.0757576), wk = 0.0022422 k( 419) = ( 0.3333333 0.3333333 0.0909091), wk = 0.0022422 k( 420) = ( 0.3333333 0.3333333 0.1060606), wk = 0.0022422 k( 421) = ( 0.3333333 0.3333333 0.1212121), wk = 0.0022422 k( 422) = ( 0.3333333 0.3333333 0.1363636), wk = 0.0022422 k( 423) = ( 0.3333333 0.3333333 0.1515151), wk = 0.0022422 k( 424) = ( 0.3333333 0.3333333 0.1666667), wk = 0.0022422 k( 425) = ( 0.3333333 0.3333333 0.1818182), wk = 0.0022422 k( 426) = ( 0.3333333 0.3333333 0.1969697), wk = 0.0022422 k( 427) = ( 0.3333333 0.3333333 0.2121212), wk = 0.0022422 k( 428) = ( 0.3333333 0.3333333 0.2272727), wk = 0.0022422 k( 429) = ( 0.3333333 0.3333333 0.2424242), wk = 0.0022422 k( 430) = ( 0.3333333 0.3333333 0.2575758), wk = 0.0022422 k( 431) = ( 0.3333333 0.3333333 0.2727273), wk = 0.0022422 k( 432) = ( 0.3333333 0.3333333 0.2878788), wk = 0.0022422 k( 433) = ( 0.3333333 0.3333333 0.3030303), wk = 0.0022422 k( 434) = ( 0.3333333 0.3333333 0.3181818), wk = 0.0022422 k( 435) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0022422 k( 436) = ( 0.3333333 0.3333333 0.3484849), wk = 0.0022422 k( 437) = ( 0.3333333 0.3333333 0.3636364), wk = 0.0022422 k( 438) = ( 0.3333333 0.3333333 0.3787879), wk = 0.0022422 k( 439) = ( 0.3333333 0.3333333 0.3939394), wk = 0.0022422 k( 440) = ( 0.3333333 0.3333333 0.4090909), wk = 0.0022422 k( 441) = ( 0.3333333 0.3333333 0.4242424), wk = 0.0022422 k( 442) = ( 0.3333333 0.3333333 0.4393939), wk = 0.0022422 k( 443) = ( 0.3333333 0.3333333 0.4545455), wk = 0.0022422 k( 444) = ( 0.3333333 0.3333333 0.4696970), wk = 0.0022422 k( 445) = ( 0.3333333 0.3333333 0.4848485), wk = 0.0022422 k( 446) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022422 Dense grid: 24407 G-vectors FFT dimensions: ( 36, 36, 54) Smooth grid: 23969 G-vectors FFT dimensions: ( 32, 32, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 182, 38) NL pseudopotentials 0.11 Mb ( 91, 82) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 679) G-vector shells 0.00 Mb ( 349) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.42 Mb ( 182, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.10 Mb ( 82, 2, 38) Check: negative/imaginary core charge= -0.000003 0.000000 The potential is recalculated from file : ./Ti2O.save/charge-density.dat Starting wfc are 8 randomized atomic wfcs + 30 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.3 secs Computing kpt #: 2 total cpu time spent up to now is 1.7 secs Computing kpt #: 3 total cpu time spent up to now is 2.1 secs Computing kpt #: 4 total cpu time spent up to now is 2.6 secs Computing kpt #: 5 total cpu time spent up to now is 3.0 secs Computing kpt #: 6 total cpu time spent up to now is 3.3 secs Computing kpt #: 7 total cpu time spent up to now is 3.8 secs Computing kpt #: 8 total cpu time spent up to now is 4.2 secs Computing kpt #: 9 total cpu time spent up to now is 4.6 secs Computing kpt #: 10 total cpu time spent up to now is 5.0 secs Computing kpt #: 11 total cpu time spent up to now is 5.3 secs Computing kpt #: 12 total cpu time spent up to now is 5.7 secs Computing kpt #: 13 total cpu time spent up to now is 6.1 secs Computing kpt #: 14 total cpu time spent up to now is 6.5 secs Computing kpt #: 15 total cpu time spent up to now is 6.9 secs Computing kpt #: 16 total cpu time spent up to now is 7.3 secs Computing kpt #: 17 total cpu time spent up to now is 7.7 secs Computing kpt #: 18 total cpu time spent up to now is 8.1 secs Computing kpt #: 19 total cpu time spent up to now is 8.5 secs Computing kpt #: 20 total cpu time spent up to now is 8.9 secs Computing kpt #: 21 total cpu time spent up to now is 9.2 secs Computing kpt #: 22 total cpu time spent up to now is 9.6 secs Computing kpt #: 23 total cpu time spent up to now is 10.0 secs Computing kpt #: 24 total cpu time spent up to now is 10.4 secs Computing kpt #: 25 total cpu time spent up to now is 10.8 secs Computing kpt #: 26 total cpu time spent up to now is 11.1 secs Computing kpt #: 27 total cpu time spent up to now is 11.5 secs Computing kpt #: 28 total cpu time spent up to now is 11.9 secs Computing kpt #: 29 total cpu time spent up to now is 12.3 secs Computing kpt #: 30 total cpu time spent up to now is 12.6 secs Computing kpt #: 31 total cpu time spent up to now is 13.0 secs Computing kpt #: 32 total cpu time spent up to now is 13.3 secs Computing kpt #: 33 total cpu time spent up to now is 13.7 secs Computing kpt #: 34 total cpu time spent up to now is 14.1 secs Computing kpt #: 35 total cpu time spent up to now is 14.5 secs Computing kpt #: 36 total cpu time spent up to now is 14.9 secs Computing kpt #: 37 total cpu time spent up to now is 15.3 secs Computing kpt #: 38 total cpu time spent up to now is 15.7 secs Computing kpt #: 39 total cpu time spent up to now is 16.1 secs Computing kpt #: 40 total cpu time spent up to now is 16.5 secs Computing kpt #: 41 total cpu time spent up to now is 16.9 secs Computing kpt #: 42 total cpu time spent up to now is 17.3 secs Computing kpt #: 43 total cpu time spent up to now is 17.8 secs Computing kpt #: 44 total cpu time spent up to now is 18.2 secs Computing kpt #: 45 total cpu time spent up to now is 18.6 secs Computing kpt #: 46 total cpu time spent up to now is 19.0 secs Computing kpt #: 47 total cpu time spent up to now is 19.4 secs Computing kpt #: 48 total cpu time spent up to now is 19.9 secs Computing kpt #: 49 total cpu time spent up to now is 20.3 secs Computing kpt #: 50 total cpu time spent up to now is 20.7 secs Computing kpt #: 51 total cpu time spent up to now is 21.1 secs Computing kpt #: 52 total cpu time spent up to now is 21.6 secs Computing kpt #: 53 total cpu time spent up to now is 22.0 secs Computing kpt #: 54 total cpu time spent up to now is 22.5 secs Computing kpt #: 55 total cpu time spent up to now is 22.9 secs Computing kpt #: 56 total cpu time spent up to now is 23.4 secs Computing kpt #: 57 total cpu time spent up to now is 23.8 secs Computing kpt #: 58 total cpu time spent up to now is 24.2 secs Computing kpt #: 59 total cpu time spent up to now is 24.6 secs Computing kpt #: 60 total cpu time spent up to now is 25.1 secs Computing kpt #: 61 total cpu time spent up to now is 25.5 secs Computing kpt #: 62 total cpu time spent up to now is 25.9 secs Computing kpt #: 63 total cpu time spent up to now is 26.4 secs Computing kpt #: 64 total cpu time spent up to now is 26.8 secs Computing kpt #: 65 total cpu time spent up to now is 27.3 secs Computing kpt #: 66 total cpu time spent up to now is 27.7 secs Computing kpt #: 67 total cpu time spent up to now is 28.1 secs Computing kpt #: 68 total cpu time spent up to now is 28.6 secs Computing kpt #: 69 total cpu time spent up to now is 29.0 secs Computing kpt #: 70 total cpu time spent up to now is 29.4 secs Computing kpt #: 71 total cpu time spent up to now is 29.9 secs Computing kpt #: 72 total cpu time spent up to now is 30.3 secs Computing kpt #: 73 total cpu time spent up to now is 30.7 secs Computing kpt #: 74 total cpu time spent up to now is 31.2 secs Computing kpt #: 75 total cpu time spent up to now is 31.6 secs Computing kpt #: 76 total cpu time spent up to now is 32.1 secs Computing kpt #: 77 total cpu time spent up to now is 32.5 secs Computing kpt #: 78 total cpu time spent up to now is 32.9 secs Computing kpt #: 79 total cpu time spent up to now is 33.3 secs Computing kpt #: 80 total cpu time spent up to now is 33.8 secs Computing kpt #: 81 total cpu time spent up to now is 34.2 secs Computing kpt #: 82 total cpu time spent up to now is 34.6 secs Computing kpt #: 83 total cpu time spent up to now is 35.0 secs Computing kpt #: 84 total cpu time spent up to now is 35.5 secs Computing kpt #: 85 total cpu time spent up to now is 35.9 secs Computing kpt #: 86 total cpu time spent up to now is 36.3 secs Computing kpt #: 87 total cpu time spent up to now is 36.7 secs Computing kpt #: 88 total cpu time spent up to now is 37.1 secs Computing kpt #: 89 total cpu time spent up to now is 37.5 secs Computing kpt #: 90 total cpu time spent up to now is 37.9 secs Computing kpt #: 91 total cpu time spent up to now is 38.4 secs Computing kpt #: 92 total cpu time spent up to now is 38.8 secs Computing kpt #: 93 total cpu time spent up to now is 39.2 secs Computing kpt #: 94 total cpu time spent up to now is 39.6 secs Computing kpt #: 95 total cpu time spent up to now is 40.0 secs Computing kpt #: 96 total cpu time spent up to now is 40.4 secs Computing kpt #: 97 total cpu time spent up to now is 40.9 secs Computing kpt #: 98 total cpu time spent up to now is 41.3 secs Computing kpt #: 99 total cpu time spent up to now is 41.7 secs Computing kpt #: 100 total cpu time spent up to now is 42.1 secs Computing kpt #: 101 total cpu time spent up to now is 42.5 secs Computing kpt #: 102 total cpu time spent up to now is 42.9 secs Computing kpt #: 103 total cpu time spent up to now is 43.3 secs Computing kpt #: 104 total cpu time spent up to now is 43.8 secs Computing kpt #: 105 total cpu time spent up to now is 44.2 secs Computing kpt #: 106 total cpu time spent up to now is 44.6 secs Computing kpt #: 107 total cpu time spent up to now is 45.0 secs Computing kpt #: 108 total cpu time spent up to now is 45.4 secs Computing kpt #: 109 total cpu time spent up to now is 45.8 secs Computing kpt #: 110 total cpu time spent up to now is 46.2 secs Computing kpt #: 111 total cpu time spent up to now is 46.6 secs Computing kpt #: 112 total cpu time spent up to now is 47.0 secs Computing kpt #: 113 total cpu time spent up to now is 47.4 secs Computing kpt #: 114 total cpu time spent up to now is 47.8 secs Computing kpt #: 115 total cpu time spent up to now is 48.2 secs Computing kpt #: 116 total cpu time spent up to now is 48.6 secs Computing kpt #: 117 total cpu time spent up to now is 49.0 secs Computing kpt #: 118 total cpu time spent up to now is 49.4 secs Computing kpt #: 119 total cpu time spent up to now is 49.8 secs Computing kpt #: 120 total cpu time spent up to now is 50.2 secs Computing kpt #: 121 total cpu time spent up to now is 50.6 secs Computing kpt #: 122 total cpu time spent up to now is 51.1 secs Computing kpt #: 123 total cpu time spent up to now is 51.5 secs Computing kpt #: 124 total cpu time spent up to now is 51.9 secs Computing kpt #: 125 total cpu time spent up to now is 52.3 secs Computing kpt #: 126 total cpu time spent up to now is 52.7 secs Computing kpt #: 127 total cpu time spent up to now is 53.1 secs Computing kpt #: 128 total cpu time spent up to now is 53.5 secs Computing kpt #: 129 total cpu time spent up to now is 53.9 secs Computing kpt #: 130 total cpu time spent up to now is 54.4 secs Computing kpt #: 131 total cpu time spent up to now is 54.8 secs Computing kpt #: 132 total cpu time spent up to now is 55.2 secs Computing kpt #: 133 total cpu time spent up to now is 55.6 secs Computing kpt #: 134 total cpu time spent up to now is 56.0 secs Computing kpt #: 135 total cpu time spent up to now is 56.4 secs Computing kpt #: 136 total cpu time spent up to now is 56.9 secs Computing kpt #: 137 total cpu time spent up to now is 57.3 secs Computing kpt #: 138 total cpu time spent up to now is 57.7 secs Computing kpt #: 139 total cpu time spent up to now is 58.1 secs Computing kpt #: 140 total cpu time spent up to now is 58.5 secs Computing kpt #: 141 total cpu time spent up to now is 59.0 secs Computing kpt #: 142 total cpu time spent up to now is 59.4 secs Computing kpt #: 143 total cpu time spent up to now is 59.8 secs Computing kpt #: 144 total cpu time spent up to now is 60.2 secs Computing kpt #: 145 total cpu time spent up to now is 60.7 secs Computing kpt #: 146 total cpu time spent up to now is 61.1 secs Computing kpt #: 147 total cpu time spent up to now is 61.5 secs Computing kpt #: 148 total cpu time spent up to now is 61.9 secs Computing kpt #: 149 total cpu time spent up to now is 62.3 secs Computing kpt #: 150 total cpu time spent up to now is 62.7 secs Computing kpt #: 151 total cpu time spent up to now is 63.2 secs Computing kpt #: 152 total cpu time spent up to now is 63.6 secs Computing kpt #: 153 total cpu time spent up to now is 64.0 secs Computing kpt #: 154 total cpu time spent up to now is 64.4 secs Computing kpt #: 155 total cpu time spent up to now is 64.8 secs Computing kpt #: 156 total cpu time spent up to now is 65.2 secs Computing kpt #: 157 total cpu time spent up to now is 65.7 secs Computing kpt #: 158 total cpu time spent up to now is 66.1 secs Computing kpt #: 159 total cpu time spent up to now is 66.5 secs Computing kpt #: 160 total cpu time spent up to now is 66.9 secs Computing kpt #: 161 total cpu time spent up to now is 67.3 secs Computing kpt #: 162 total cpu time spent up to now is 67.7 secs Computing kpt #: 163 total cpu time spent up to now is 68.1 secs Computing kpt #: 164 total cpu time spent up to now is 68.4 secs Computing kpt #: 165 total cpu time spent up to now is 68.9 secs Computing kpt #: 166 total cpu time spent up to now is 69.2 secs Computing kpt #: 167 total cpu time spent up to now is 69.7 secs Computing kpt #: 168 total cpu time spent up to now is 70.0 secs Computing kpt #: 169 total cpu time spent up to now is 70.4 secs Computing kpt #: 170 total cpu time spent up to now is 70.8 secs Computing kpt #: 171 total cpu time spent up to now is 71.3 secs Computing kpt #: 172 total cpu time spent up to now is 71.7 secs Computing kpt #: 173 total cpu time spent up to now is 72.1 secs Computing kpt #: 174 total cpu time spent up to now is 72.5 secs Computing kpt #: 175 total cpu time spent up to now is 72.9 secs Computing kpt #: 176 total cpu time spent up to now is 73.3 secs Computing kpt #: 177 total cpu time spent up to now is 73.7 secs Computing kpt #: 178 total cpu time spent up to now is 74.1 secs Computing kpt #: 179 total cpu time spent up to now is 74.5 secs Computing kpt #: 180 total cpu time spent up to now is 74.9 secs Computing kpt #: 181 total cpu time spent up to now is 75.3 secs Computing kpt #: 182 total cpu time spent up to now is 75.7 secs Computing kpt #: 183 total cpu time spent up to now is 76.1 secs Computing kpt #: 184 total cpu time spent up to now is 76.6 secs Computing kpt #: 185 total cpu time spent up to now is 77.0 secs Computing kpt #: 186 total cpu time spent up to now is 77.4 secs Computing kpt #: 187 total cpu time spent up to now is 77.8 secs Computing kpt #: 188 total cpu time spent up to now is 78.2 secs Computing kpt #: 189 total cpu time spent up to now is 78.6 secs Computing kpt #: 190 total cpu time spent up to now is 79.0 secs Computing kpt #: 191 total cpu time spent up to now is 79.4 secs Computing kpt #: 192 total cpu time spent up to now is 79.8 secs Computing kpt #: 193 total cpu time spent up to now is 80.2 secs Computing kpt #: 194 total cpu time spent up to now is 80.6 secs Computing kpt #: 195 total cpu time spent up to now is 81.1 secs Computing kpt #: 196 total cpu time spent up to now is 81.6 secs Computing kpt #: 197 total cpu time spent up to now is 82.1 secs Computing kpt #: 198 total cpu time spent up to now is 82.7 secs Computing kpt #: 199 total cpu time spent up to now is 83.2 secs Computing kpt #: 200 total cpu time spent up to now is 83.6 secs Computing kpt #: 201 total cpu time spent up to now is 84.0 secs Computing kpt #: 202 total cpu time spent up to now is 84.4 secs Computing kpt #: 203 total cpu time spent up to now is 84.9 secs Computing kpt #: 204 total cpu time spent up to now is 85.3 secs Computing kpt #: 205 total cpu time spent up to now is 85.7 secs Computing kpt #: 206 total cpu time spent up to now is 86.1 secs Computing kpt #: 207 total cpu time spent up to now is 86.6 secs Computing kpt #: 208 total cpu time spent up to now is 87.0 secs Computing kpt #: 209 total cpu time spent up to now is 87.4 secs Computing kpt #: 210 total cpu time spent up to now is 87.8 secs Computing kpt #: 211 total cpu time spent up to now is 88.3 secs Computing kpt #: 212 total cpu time spent up to now is 88.7 secs Computing kpt #: 213 total cpu time spent up to now is 89.1 secs Computing kpt #: 214 total cpu time spent up to now is 89.5 secs Computing kpt #: 215 total cpu time spent up to now is 90.0 secs Computing kpt #: 216 total cpu time spent up to now is 90.4 secs Computing kpt #: 217 total cpu time spent up to now is 90.9 secs Computing kpt #: 218 total cpu time spent up to now is 91.4 secs Computing kpt #: 219 total cpu time spent up to now is 91.8 secs Computing kpt #: 220 total cpu time spent up to now is 92.2 secs Computing kpt #: 221 total cpu time spent up to now is 92.7 secs Computing kpt #: 222 total cpu time spent up to now is 93.1 secs Computing kpt #: 223 total cpu time spent up to now is 93.5 secs Computing kpt #: 224 total cpu time spent up to now is 94.0 secs Computing kpt #: 225 total cpu time spent up to now is 94.4 secs Computing kpt #: 226 total cpu time spent up to now is 94.8 secs Computing kpt #: 227 total cpu time spent up to now is 95.2 secs Computing kpt #: 228 total cpu time spent up to now is 95.7 secs Computing kpt #: 229 total cpu time spent up to now is 96.1 secs Computing kpt #: 230 total cpu time spent up to now is 96.5 secs Computing kpt #: 231 total cpu time spent up to now is 96.9 secs Computing kpt #: 232 total cpu time spent up to now is 97.4 secs Computing kpt #: 233 total cpu time spent up to now is 97.8 secs Computing kpt #: 234 total cpu time spent up to now is 98.2 secs Computing kpt #: 235 total cpu time spent up to now is 98.6 secs Computing kpt #: 236 total cpu time spent up to now is 99.1 secs Computing kpt #: 237 total cpu time spent up to now is 99.5 secs Computing kpt #: 238 total cpu time spent up to now is 99.9 secs Computing kpt #: 239 total cpu time spent up to now is 100.3 secs Computing kpt #: 240 total cpu time spent up to now is 100.7 secs Computing kpt #: 241 total cpu time spent up to now is 101.1 secs Computing kpt #: 242 total cpu time spent up to now is 101.5 secs Computing kpt #: 243 total cpu time spent up to now is 101.9 secs Computing kpt #: 244 total cpu time spent up to now is 102.3 secs Computing kpt #: 245 total cpu time spent up to now is 102.8 secs Computing kpt #: 246 total cpu time spent up to now is 103.2 secs Computing kpt #: 247 total cpu time spent up to now is 103.6 secs Computing kpt #: 248 total cpu time spent up to now is 104.0 secs Computing kpt #: 249 total cpu time spent up to now is 104.4 secs Computing kpt #: 250 total cpu time spent up to now is 104.8 secs Computing kpt #: 251 total cpu time spent up to now is 105.3 secs Computing kpt #: 252 total cpu time spent up to now is 105.7 secs Computing kpt #: 253 total cpu time spent up to now is 106.1 secs Computing kpt #: 254 total cpu time spent up to now is 106.6 secs Computing kpt #: 255 total cpu time spent up to now is 107.0 secs Computing kpt #: 256 total cpu time spent up to now is 107.4 secs Computing kpt #: 257 total cpu time spent up to now is 107.8 secs Computing kpt #: 258 total cpu time spent up to now is 108.2 secs Computing kpt #: 259 total cpu time spent up to now is 108.6 secs Computing kpt #: 260 total cpu time spent up to now is 109.1 secs Computing kpt #: 261 total cpu time spent up to now is 109.5 secs Computing kpt #: 262 total cpu time spent up to now is 109.9 secs Computing kpt #: 263 total cpu time spent up to now is 110.3 secs Computing kpt #: 264 total cpu time spent up to now is 110.8 secs Computing kpt #: 265 total cpu time spent up to now is 111.2 secs Computing kpt #: 266 total cpu time spent up to now is 111.6 secs Computing kpt #: 267 total cpu time spent up to now is 112.1 secs Computing kpt #: 268 total cpu time spent up to now is 112.5 secs Computing kpt #: 269 total cpu time spent up to now is 112.9 secs Computing kpt #: 270 total cpu time spent up to now is 113.4 secs Computing kpt #: 271 total cpu time spent up to now is 113.8 secs Computing kpt #: 272 total cpu time spent up to now is 114.2 secs Computing kpt #: 273 total cpu time spent up to now is 114.6 secs Computing kpt #: 274 total cpu time spent up to now is 115.1 secs Computing kpt #: 275 total cpu time spent up to now is 115.5 secs Computing kpt #: 276 total cpu time spent up to now is 115.9 secs Computing kpt #: 277 total cpu time spent up to now is 116.3 secs Computing kpt #: 278 total cpu time spent up to now is 116.7 secs Computing kpt #: 279 total cpu time spent up to now is 117.1 secs Computing kpt #: 280 total cpu time spent up to now is 117.6 secs Computing kpt #: 281 total cpu time spent up to now is 118.0 secs Computing kpt #: 282 total cpu time spent up to now is 118.4 secs Computing kpt #: 283 total cpu time spent up to now is 118.8 secs Computing kpt #: 284 total cpu time spent up to now is 119.2 secs Computing kpt #: 285 total cpu time spent up to now is 119.6 secs Computing kpt #: 286 total cpu time spent up to now is 120.0 secs Computing kpt #: 287 total cpu time spent up to now is 120.4 secs Computing kpt #: 288 total cpu time spent up to now is 120.8 secs Computing kpt #: 289 total cpu time spent up to now is 121.3 secs Computing kpt #: 290 total cpu time spent up to now is 121.7 secs Computing kpt #: 291 total cpu time spent up to now is 122.1 secs Computing kpt #: 292 total cpu time spent up to now is 122.5 secs Computing kpt #: 293 total cpu time spent up to now is 122.9 secs Computing kpt #: 294 total cpu time spent up to now is 123.4 secs Computing kpt #: 295 total cpu time spent up to now is 123.8 secs Computing kpt #: 296 total cpu time spent up to now is 124.3 secs Computing kpt #: 297 total cpu time spent up to now is 124.7 secs Computing kpt #: 298 total cpu time spent up to now is 125.2 secs Computing kpt #: 299 total cpu time spent up to now is 125.6 secs Computing kpt #: 300 total cpu time spent up to now is 126.0 secs Computing kpt #: 301 total cpu time spent up to now is 126.5 secs Computing kpt #: 302 total cpu time spent up to now is 127.1 secs Computing kpt #: 303 total cpu time spent up to now is 127.6 secs Computing kpt #: 304 total cpu time spent up to now is 128.1 secs Computing kpt #: 305 total cpu time spent up to now is 128.8 secs Computing kpt #: 306 total cpu time spent up to now is 129.4 secs Computing kpt #: 307 total cpu time spent up to now is 130.2 secs Computing kpt #: 308 total cpu time spent up to now is 130.9 secs Computing kpt #: 309 total cpu time spent up to now is 131.6 secs Computing kpt #: 310 total cpu time spent up to now is 132.1 secs Computing kpt #: 311 total cpu time spent up to now is 132.6 secs Computing kpt #: 312 total cpu time spent up to now is 133.2 secs Computing kpt #: 313 total cpu time spent up to now is 133.6 secs Computing kpt #: 314 total cpu time spent up to now is 134.1 secs Computing kpt #: 315 total cpu time spent up to now is 134.5 secs Computing kpt #: 316 total cpu time spent up to now is 134.9 secs Computing kpt #: 317 total cpu time spent up to now is 135.4 secs Computing kpt #: 318 total cpu time spent up to now is 135.9 secs Computing kpt #: 319 total cpu time spent up to now is 136.4 secs Computing kpt #: 320 total cpu time spent up to now is 136.9 secs Computing kpt #: 321 total cpu time spent up to now is 137.4 secs Computing kpt #: 322 total cpu time spent up to now is 137.9 secs Computing kpt #: 323 total cpu time spent up to now is 138.5 secs Computing kpt #: 324 total cpu time spent up to now is 139.1 secs Computing kpt #: 325 total cpu time spent up to now is 139.7 secs Computing kpt #: 326 total cpu time spent up to now is 140.2 secs Computing kpt #: 327 total cpu time spent up to now is 140.8 secs Computing kpt #: 328 total cpu time spent up to now is 141.3 secs Computing kpt #: 329 total cpu time spent up to now is 141.7 secs Computing kpt #: 330 total cpu time spent up to now is 142.2 secs Computing kpt #: 331 total cpu time spent up to now is 142.7 secs Computing kpt #: 332 total cpu time spent up to now is 143.3 secs Computing kpt #: 333 total cpu time spent up to now is 143.7 secs Computing kpt #: 334 total cpu time spent up to now is 144.3 secs Computing kpt #: 335 total cpu time spent up to now is 144.9 secs Computing kpt #: 336 total cpu time spent up to now is 145.7 secs Computing kpt #: 337 total cpu time spent up to now is 146.3 secs Computing kpt #: 338 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 147.2 secs Computing kpt #: 339 total cpu time spent up to now is 147.8 secs Computing kpt #: 340 total cpu time spent up to now is 148.3 secs Computing kpt #: 341 total cpu time spent up to now is 148.9 secs Computing kpt #: 342 total cpu time spent up to now is 149.4 secs Computing kpt #: 343 total cpu time spent up to now is 149.9 secs Computing kpt #: 344 total cpu time spent up to now is 150.4 secs Computing kpt #: 345 total cpu time spent up to now is 150.9 secs Computing kpt #: 346 total cpu time spent up to now is 151.4 secs Computing kpt #: 347 total cpu time spent up to now is 151.9 secs Computing kpt #: 348 total cpu time spent up to now is 152.3 secs Computing kpt #: 349 total cpu time spent up to now is 152.7 secs Computing kpt #: 350 total cpu time spent up to now is 153.2 secs Computing kpt #: 351 total cpu time spent up to now is 153.6 secs Computing kpt #: 352 total cpu time spent up to now is 154.0 secs Computing kpt #: 353 total cpu time spent up to now is 154.5 secs Computing kpt #: 354 total cpu time spent up to now is 154.9 secs Computing kpt #: 355 total cpu time spent up to now is 155.3 secs Computing kpt #: 356 total cpu time spent up to now is 155.7 secs Computing kpt #: 357 total cpu time spent up to now is 156.2 secs Computing kpt #: 358 total cpu time spent up to now is 156.6 secs Computing kpt #: 359 total cpu time spent up to now is 157.0 secs Computing kpt #: 360 total cpu time spent up to now is 157.4 secs Computing kpt #: 361 total cpu time spent up to now is 157.9 secs Computing kpt #: 362 total cpu time spent up to now is 158.3 secs Computing kpt #: 363 total cpu time spent up to now is 158.8 secs Computing kpt #: 364 total cpu time spent up to now is 159.2 secs Computing kpt #: 365 total cpu time spent up to now is 159.6 secs Computing kpt #: 366 total cpu time spent up to now is 160.1 secs Computing kpt #: 367 total cpu time spent up to now is 160.5 secs Computing kpt #: 368 total cpu time spent up to now is 161.0 secs Computing kpt #: 369 total cpu time spent up to now is 161.4 secs Computing kpt #: 370 total cpu time spent up to now is 161.9 secs Computing kpt #: 371 total cpu time spent up to now is 162.3 secs Computing kpt #: 372 total cpu time spent up to now is 162.8 secs Computing kpt #: 373 total cpu time spent up to now is 163.2 secs Computing kpt #: 374 total cpu time spent up to now is 163.7 secs Computing kpt #: 375 total cpu time spent up to now is 164.1 secs Computing kpt #: 376 total cpu time spent up to now is 164.5 secs Computing kpt #: 377 total cpu time spent up to now is 164.9 secs Computing kpt #: 378 total cpu time spent up to now is 165.3 secs Computing kpt #: 379 total cpu time spent up to now is 165.7 secs Computing kpt #: 380 total cpu time spent up to now is 166.2 secs Computing kpt #: 381 total cpu time spent up to now is 166.6 secs Computing kpt #: 382 total cpu time spent up to now is 167.1 secs Computing kpt #: 383 total cpu time spent up to now is 167.5 secs Computing kpt #: 384 total cpu time spent up to now is 167.9 secs Computing kpt #: 385 total cpu time spent up to now is 168.3 secs Computing kpt #: 386 total cpu time spent up to now is 168.8 secs Computing kpt #: 387 total cpu time spent up to now is 169.2 secs Computing kpt #: 388 total cpu time spent up to now is 169.6 secs Computing kpt #: 389 total cpu time spent up to now is 170.0 secs Computing kpt #: 390 total cpu time spent up to now is 170.4 secs Computing kpt #: 391 total cpu time spent up to now is 170.9 secs Computing kpt #: 392 total cpu time spent up to now is 171.3 secs Computing kpt #: 393 total cpu time spent up to now is 171.7 secs Computing kpt #: 394 total cpu time spent up to now is 172.1 secs Computing kpt #: 395 total cpu time spent up to now is 172.5 secs Computing kpt #: 396 total cpu time spent up to now is 173.0 secs Computing kpt #: 397 total cpu time spent up to now is 173.4 secs Computing kpt #: 398 total cpu time spent up to now is 173.8 secs Computing kpt #: 399 total cpu time spent up to now is 174.2 secs Computing kpt #: 400 total cpu time spent up to now is 174.6 secs Computing kpt #: 401 total cpu time spent up to now is 175.1 secs Computing kpt #: 402 total cpu time spent up to now is 175.5 secs Computing kpt #: 403 total cpu time spent up to now is 175.9 secs Computing kpt #: 404 total cpu time spent up to now is 176.3 secs Computing kpt #: 405 total cpu time spent up to now is 176.8 secs Computing kpt #: 406 total cpu time spent up to now is 177.2 secs Computing kpt #: 407 total cpu time spent up to now is 177.6 secs Computing kpt #: 408 total cpu time spent up to now is 178.0 secs Computing kpt #: 409 total cpu time spent up to now is 178.5 secs Computing kpt #: 410 total cpu time spent up to now is 178.9 secs Computing kpt #: 411 total cpu time spent up to now is 179.3 secs Computing kpt #: 412 total cpu time spent up to now is 179.8 secs Computing kpt #: 413 total cpu time spent up to now is 180.2 secs Computing kpt #: 414 total cpu time spent up to now is 180.6 secs Computing kpt #: 415 total cpu time spent up to now is 181.0 secs Computing kpt #: 416 total cpu time spent up to now is 181.4 secs Computing kpt #: 417 total cpu time spent up to now is 181.8 secs Computing kpt #: 418 total cpu time spent up to now is 182.2 secs Computing kpt #: 419 total cpu time spent up to now is 182.6 secs Computing kpt #: 420 total cpu time spent up to now is 183.0 secs Computing kpt #: 421 total cpu time spent up to now is 183.4 secs Computing kpt #: 422 total cpu time spent up to now is 183.9 secs Computing kpt #: 423 total cpu time spent up to now is 184.3 secs Computing kpt #: 424 total cpu time spent up to now is 184.7 secs Computing kpt #: 425 total cpu time spent up to now is 185.1 secs Computing kpt #: 426 total cpu time spent up to now is 185.6 secs Computing kpt #: 427 total cpu time spent up to now is 186.0 secs Computing kpt #: 428 total cpu time spent up to now is 186.4 secs Computing kpt #: 429 total cpu time spent up to now is 186.8 secs Computing kpt #: 430 total cpu time spent up to now is 187.3 secs Computing kpt #: 431 total cpu time spent up to now is 187.8 secs Computing kpt #: 432 total cpu time spent up to now is 188.2 secs Computing kpt #: 433 total cpu time spent up to now is 188.7 secs Computing kpt #: 434 total cpu time spent up to now is 189.5 secs Computing kpt #: 435 total cpu time spent up to now is 189.9 secs Computing kpt #: 436 total cpu time spent up to now is 190.3 secs Computing kpt #: 437 total cpu time spent up to now is 190.8 secs Computing kpt #: 438 total cpu time spent up to now is 191.5 secs Computing kpt #: 439 total cpu time spent up to now is 192.0 secs Computing kpt #: 440 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 192.9 secs Computing kpt #: 441 total cpu time spent up to now is 193.3 secs Computing kpt #: 442 total cpu time spent up to now is 193.9 secs Computing kpt #: 443 total cpu time spent up to now is 194.7 secs Computing kpt #: 444 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 195.5 secs Computing kpt #: 445 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 196.4 secs Computing kpt #: 446 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 197.3 secs ethr = 3.33E-08, avg # of iterations = 40.5 total cpu time spent up to now is 197.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2997 PWs) bands (ev): -41.9183 -41.9183 -41.8080 -41.8080 -18.7110 -18.7110 -18.3010 -18.3010 -17.9858 -17.9858 -17.7049 -17.7049 -17.6377 -17.6377 -17.6319 -17.6319 -5.8561 -5.8561 7.5997 7.5997 9.2123 9.2123 9.2331 9.2331 11.5774 11.5774 15.2375 15.2375 15.4286 15.4286 15.8786 15.8786 15.9112 15.9112 16.4393 16.4393 16.4548 16.4549 k = 0.0081 0.0047-0.0000 ( 2989 PWs) bands (ev): -41.9183 -41.9183 -41.8079 -41.8079 -18.7109 -18.7109 -18.3012 -18.3012 -17.9859 -17.9859 -17.7051 -17.7051 -17.6378 -17.6378 -17.6322 -17.6322 -5.8558 -5.8558 7.6004 7.6004 9.2107 9.2107 9.2317 9.2317 11.5800 11.5800 15.2300 15.2300 15.4295 15.4295 15.8827 15.8827 15.9159 15.9159 16.4141 16.4141 16.4320 16.4321 k = 0.0161 0.0093-0.0000 ( 2987 PWs) bands (ev): -41.9181 -41.9181 -41.8079 -41.8079 -18.7107 -18.7107 -18.3017 -18.3017 -17.9862 -17.9862 -17.7057 -17.7057 -17.6380 -17.6380 -17.6328 -17.6328 -5.8549 -5.8549 7.6026 7.6026 9.2052 9.2052 9.2283 9.2283 11.5879 11.5879 15.2083 15.2083 15.4323 15.4323 15.8914 15.8914 15.9324 15.9324 16.3824 16.3824 16.4015 16.4015 k = 0.0242 0.0140-0.0000 ( 2987 PWs) bands (ev): -41.9178 -41.9178 -41.8077 -41.8077 -18.7102 -18.7102 -18.3024 -18.3024 -17.9867 -17.9867 -17.7068 -17.7068 -17.6385 -17.6385 -17.6338 -17.6338 -5.8533 -5.8533 7.6063 7.6063 9.1939 9.1939 9.2247 9.2247 11.6008 11.6008 15.1751 15.1751 15.4368 15.4368 15.9000 15.9000 15.9628 15.9628 16.3497 16.3497 16.3715 16.3716 k = 0.0323 0.0186-0.0000 ( 2991 PWs) bands (ev): -41.9174 -41.9174 -41.8075 -41.8075 -18.7096 -18.7096 -18.3035 -18.3035 -17.9875 -17.9875 -17.7082 -17.7082 -17.6394 -17.6394 -17.6349 -17.6349 -5.8511 -5.8511 7.6113 7.6113 9.1766 9.1766 9.2216 9.2216 11.6186 11.6186 15.1333 15.1333 15.4429 15.4429 15.9089 15.9089 16.0036 16.0036 16.3157 16.3157 16.3435 16.3435 k = 0.0403 0.0233-0.0000 ( 2993 PWs) bands (ev): -41.9168 -41.9168 -41.8072 -41.8072 -18.7088 -18.7088 -18.3049 -18.3049 -17.9884 -17.9884 -17.7100 -17.7100 -17.6410 -17.6410 -17.6360 -17.6360 -5.8483 -5.8483 7.6178 7.6178 9.1536 9.1536 9.2187 9.2187 11.6410 11.6410 15.0855 15.0855 15.4505 15.4505 15.9190 15.9190 16.0510 16.0510 16.2803 16.2803 16.3179 16.3179 k = 0.0484 0.0279-0.0000 ( 2985 PWs) bands (ev): -41.9162 -41.9162 -41.8069 -41.8069 -18.7078 -18.7078 -18.3066 -18.3066 -17.9896 -17.9896 -17.7122 -17.7122 -17.6433 -17.6433 -17.6368 -17.6368 -5.8448 -5.8448 7.6257 7.6257 9.1257 9.1257 9.2157 9.2157 11.6678 11.6678 15.0336 15.0336 15.4592 15.4592 15.9305 15.9305 16.1023 16.1023 16.2441 16.2441 16.2948 16.2948 k = 0.0565 0.0326-0.0000 ( 2981 PWs) bands (ev): -41.9154 -41.9154 -41.8066 -41.8066 -18.7066 -18.7066 -18.3086 -18.3086 -17.9909 -17.9909 -17.7147 -17.7147 -17.6463 -17.6463 -17.6375 -17.6375 -5.8408 -5.8408 7.6349 7.6349 9.0934 9.0934 9.2125 9.2125 11.6984 11.6984 14.9792 14.9792 15.4689 15.4689 15.9435 15.9435 16.1549 16.1549 16.2080 16.2080 16.2743 16.2743 k = 0.0645 0.0372-0.0000 ( 2981 PWs) bands (ev): -41.9145 -41.9145 -41.8061 -41.8061 -18.7053 -18.7053 -18.3109 -18.3109 -17.9925 -17.9925 -17.7176 -17.7176 -17.6500 -17.6500 -17.6381 -17.6381 -5.8362 -5.8362 7.6454 7.6454 9.0572 9.0572 9.2089 9.2089 11.7327 11.7327 14.9232 14.9232 15.4789 15.4789 15.9579 15.9579 16.1689 16.1689 16.2097 16.2097 16.2576 16.2576 k = 0.0726 0.0419-0.0000 ( 2977 PWs) bands (ev): -41.9135 -41.9135 -41.8057 -41.8057 -18.7039 -18.7039 -18.3135 -18.3135 -17.9942 -17.9942 -17.7208 -17.7208 -17.6541 -17.6541 -17.6388 -17.6388 -5.8310 -5.8310 7.6571 7.6571 9.0174 9.0174 9.2049 9.2049 11.7701 11.7701 14.8663 14.8663 15.4888 15.4888 15.9735 15.9735 16.1341 16.1341 16.2358 16.2358 16.2681 16.2681 k = 0.0806 0.0466-0.0000 ( 2973 PWs) bands (ev): -41.9124 -41.9124 -41.8052 -41.8052 -18.7023 -18.7023 -18.3164 -18.3164 -17.9962 -17.9962 -17.7242 -17.7242 -17.6588 -17.6588 -17.6395 -17.6395 -5.8253 -5.8253 7.6701 7.6701 8.9745 8.9745 9.2005 9.2005 11.8104 11.8104 14.8093 14.8093 15.4977 15.4977 15.9897 15.9897 16.1003 16.1003 16.2266 16.2266 16.3158 16.3158 k = 0.0887 0.0512-0.0000 ( 2973 PWs) bands (ev): -41.9111 -41.9111 -41.8046 -41.8046 -18.7006 -18.7006 -18.3197 -18.3197 -17.9983 -17.9983 -17.7280 -17.7280 -17.6638 -17.6638 -17.6403 -17.6403 -5.8190 -5.8190 7.6842 7.6842 8.9289 8.9289 9.1957 9.1957 11.8531 11.8531 14.7523 14.7523 15.5047 15.5047 16.0059 16.0059 16.0692 16.0692 16.2191 16.2191 16.3624 16.3624 k = 0.0968 0.0559-0.0000 ( 2969 PWs) bands (ev): -41.9098 -41.9098 -41.8040 -41.8040 -18.6987 -18.6987 -18.3232 -18.3232 -18.0006 -18.0006 -17.7320 -17.7320 -17.6693 -17.6693 -17.6412 -17.6412 -5.8122 -5.8122 7.6994 7.6994 8.8810 8.8810 9.1905 9.1905 11.8980 11.8980 14.6959 14.6959 15.5087 15.5087 16.0201 16.0201 16.0435 16.0435 16.2160 16.2160 16.4050 16.4050 k = 0.1048 0.0605-0.0000 ( 2969 PWs) bands (ev): -41.9083 -41.9083 -41.8033 -41.8033 -18.6967 -18.6967 -18.3270 -18.3270 -18.0030 -18.0030 -17.7363 -17.7363 -17.6752 -17.6752 -17.6421 -17.6421 -5.8050 -5.8050 7.7155 7.7155 8.8310 8.8310 9.1849 9.1849 11.9446 11.9446 14.6402 14.6402 15.5083 15.5083 16.0161 16.0161 16.0397 16.0397 16.2184 16.2184 16.4432 16.4432 k = 0.1129 0.0652-0.0000 ( 2970 PWs) bands (ev): -41.9068 -41.9068 -41.8026 -41.8026 -18.6946 -18.6946 -18.3312 -18.3312 -18.0056 -18.0056 -17.7408 -17.7408 -17.6814 -17.6814 -17.6432 -17.6432 -5.7973 -5.7973 7.7326 7.7326 8.7793 8.7793 9.1789 9.1789 11.9928 11.9928 14.5854 14.5854 15.5024 15.5024 16.0017 16.0017 16.0504 16.0504 16.2271 16.2271 16.4767 16.4767 k = 0.1210 0.0698-0.0000 ( 2970 PWs) bands (ev): -41.9052 -41.9052 -41.8019 -41.8019 -18.6925 -18.6925 -18.3356 -18.3356 -18.0084 -18.0084 -17.7455 -17.7455 -17.6879 -17.6879 -17.6443 -17.6443 -5.7891 -5.7891 7.7505 7.7505 8.7262 8.7262 9.1724 9.1724 12.0422 12.0422 14.5318 14.5318 15.4901 15.4901 15.9936 15.9936 16.0598 16.0598 16.2423 16.2423 16.5058 16.5058 k = 0.1290 0.0745-0.0000 ( 2972 PWs) bands (ev): -41.9034 -41.9034 -41.8011 -41.8011 -18.6902 -18.6902 -18.3404 -18.3404 -18.0113 -18.0113 -17.7503 -17.7503 -17.6948 -17.6948 -17.6455 -17.6455 -5.7806 -5.7806 7.7692 7.7692 8.6719 8.6719 9.1656 9.1656 12.0925 12.0925 14.4794 14.4794 15.4713 15.4713 15.9927 15.9927 16.0673 16.0673 16.2637 16.2637 16.5312 16.5312 k = 0.1371 0.0792-0.0000 ( 2982 PWs) bands (ev): -41.9016 -41.9016 -41.8003 -41.8003 -18.6879 -18.6879 -18.3455 -18.3455 -18.0143 -18.0143 -17.7553 -17.7553 -17.7019 -17.7019 -17.6468 -17.6468 -5.7716 -5.7716 7.7886 7.7886 8.6167 8.6167 9.1584 9.1584 12.1435 12.1435 14.4284 14.4284 15.4463 15.4463 15.9989 15.9989 16.0736 16.0736 16.2904 16.2904 16.5536 16.5536 k = 0.1452 0.0838-0.0000 ( 2982 PWs) bands (ev): -41.8997 -41.8997 -41.7994 -41.7994 -18.6856 -18.6856 -18.3508 -18.3508 -18.0174 -18.0174 -17.7604 -17.7604 -17.7093 -17.7093 -17.6483 -17.6483 -5.7623 -5.7623 7.8085 7.8085 8.5608 8.5608 9.1507 9.1507 12.1949 12.1949 14.3788 14.3788 15.4162 15.4162 16.0111 16.0111 16.0796 16.0796 16.3215 16.3215 16.5736 16.5736 k = 0.1532 0.0885-0.0000 ( 2978 PWs) bands (ev): -41.8977 -41.8977 -41.7986 -41.7986 -18.6832 -18.6832 -18.3564 -18.3564 -18.0206 -18.0206 -17.7657 -17.7657 -17.7169 -17.7169 -17.6498 -17.6498 -5.7527 -5.7527 7.8290 7.8290 8.5045 8.5045 9.1428 9.1428 12.2465 12.2465 14.3309 14.3309 15.3821 15.3821 16.0281 16.0281 16.0860 16.0860 16.3561 16.3561 16.5920 16.5920 k = 0.1613 0.0931-0.0000 ( 2974 PWs) bands (ev): -41.8956 -41.8956 -41.7977 -41.7977 -18.6808 -18.6808 -18.3624 -18.3624 -18.0238 -18.0238 -17.7710 -17.7710 -17.7247 -17.7247 -17.6514 -17.6514 -5.7428 -5.7428 7.8498 7.8498 8.4479 8.4479 9.1344 9.1344 12.2981 12.2981 14.2846 14.2846 15.3451 15.3451 16.0487 16.0487 16.0937 16.0937 16.3937 16.3937 16.6093 16.6093 k = 0.1694 0.0978-0.0000 ( 2978 PWs) bands (ev): -41.8935 -41.8935 -41.7967 -41.7967 -18.6783 -18.6783 -18.3686 -18.3686 -18.0272 -18.0272 -17.7764 -17.7764 -17.7326 -17.7326 -17.6531 -17.6531 -5.7327 -5.7327 7.8709 7.8709 8.3912 8.3912 9.1258 9.1258 12.3494 12.3494 14.2401 14.2401 15.3061 15.3061 16.0713 16.0713 16.1034 16.1034 16.4339 16.4339 16.6260 16.6260 k = 0.1774 0.1024-0.0000 ( 2982 PWs) bands (ev): -41.8913 -41.8913 -41.7958 -41.7958 -18.6759 -18.6759 -18.3751 -18.3751 -18.0305 -18.0305 -17.7818 -17.7818 -17.7407 -17.7407 -17.6548 -17.6548 -5.7223 -5.7223 7.8922 7.8922 8.3345 8.3345 9.1168 9.1168 12.4002 12.4002 14.1974 14.1974 15.2659 15.2659 16.0934 16.0934 16.1170 16.1170 16.4763 16.4763 16.6427 16.6427 k = 0.1855 0.1071-0.0000 ( 2984 PWs) bands (ev): -41.8890 -41.8890 -41.7948 -41.7948 -18.6736 -18.6736 -18.3818 -18.3818 -18.0339 -18.0339 -17.7873 -17.7873 -17.7489 -17.7489 -17.6567 -17.6567 -5.7117 -5.7117 7.9136 7.9136 8.2780 8.2780 9.1075 9.1075 12.4503 12.4503 14.1566 14.1566 15.2253 15.2253 16.1118 16.1118 16.1371 16.1371 16.5206 16.5206 16.6597 16.6597 k = 0.1935 0.1117-0.0000 ( 2990 PWs) bands (ev): -41.8866 -41.8866 -41.7939 -41.7939 -18.6712 -18.6712 -18.3888 -18.3888 -18.0372 -18.0372 -17.7928 -17.7928 -17.7571 -17.7571 -17.6587 -17.6587 -5.7009 -5.7009 7.9350 7.9350 8.2220 8.2220 9.0980 9.0980 12.4995 12.4995 14.1178 14.1178 15.1848 15.1848 16.1273 16.1273 16.1623 16.1623 16.5666 16.5666 16.6776 16.6776 k = 0.2016 0.1164-0.0000 ( 2986 PWs) bands (ev): -41.8842 -41.8842 -41.7929 -41.7929 -18.6690 -18.6690 -18.3960 -18.3960 -18.0405 -18.0405 -17.7983 -17.7983 -17.7654 -17.7654 -17.6607 -17.6607 -5.6900 -5.6900 7.9562 7.9562 8.1665 8.1665 9.0881 9.0881 12.5475 12.5475 14.0811 14.0811 15.1447 15.1447 16.1429 16.1429 16.1893 16.1893 16.6140 16.6140 16.6967 16.6967 k = 0.2097 0.1211-0.0000 ( 2990 PWs) bands (ev): -41.8818 -41.8818 -41.7919 -41.7919 -18.6668 -18.6668 -18.4035 -18.4035 -18.0437 -18.0437 -17.8038 -17.8038 -17.7736 -17.7736 -17.6628 -17.6628 -5.6790 -5.6790 7.9769 7.9769 8.1118 8.1118 9.0781 9.0781 12.5941 12.5941 14.0465 14.0465 15.1056 15.1056 16.1595 16.1595 16.2165 16.2165 16.6623 16.6623 16.7178 16.7178 k = 0.2177 0.1257-0.0000 ( 2992 PWs) bands (ev): -41.8793 -41.8793 -41.7910 -41.7910 -18.6647 -18.6647 -18.4112 -18.4112 -18.0469 -18.0469 -17.8093 -17.8093 -17.7818 -17.7818 -17.6650 -17.6650 -5.6680 -5.6680 7.9959 7.9959 8.0593 8.0593 9.0678 9.0678 12.6389 12.6389 14.0142 14.0142 15.0677 15.0677 16.1775 16.1775 16.2430 16.2430 16.7100 16.7100 16.7426 16.7426 k = 0.2258 0.1304-0.0000 ( 2992 PWs) bands (ev): -41.8768 -41.8768 -41.7900 -41.7900 -18.6627 -18.6627 -18.4191 -18.4191 -18.0500 -18.0500 -17.8149 -17.8149 -17.7900 -17.7900 -17.6672 -17.6672 -5.6568 -5.6568 7.9935 7.9935 8.0286 8.0286 9.0574 9.0574 12.6818 12.6818 13.9842 13.9842 15.0313 15.0313 16.1971 16.1971 16.2685 16.2685 16.7509 16.7509 16.7775 16.7775 k = 0.2339 0.1350-0.0000 ( 2992 PWs) bands (ev): -41.8742 -41.8742 -41.7890 -41.7890 -18.6609 -18.6609 -18.4272 -18.4272 -18.0529 -18.0529 -17.8205 -17.8205 -17.7979 -17.7979 -17.6695 -17.6695 -5.6457 -5.6457 7.9465 7.9465 8.0430 8.0430 9.0468 9.0468 12.7224 12.7224 13.9568 13.9568 14.9966 14.9966 16.2182 16.2182 16.2924 16.2924 16.7821 16.7821 16.8252 16.8252 k = 0.2419 0.1397-0.0000 ( 2992 PWs) bands (ev): -41.8716 -41.8716 -41.7880 -41.7880 -18.6591 -18.6591 -18.4354 -18.4354 -18.0556 -18.0556 -17.8262 -17.8262 -17.8057 -17.8057 -17.6719 -17.6719 -5.6346 -5.6346 7.8955 7.8955 8.0619 8.0619 9.0361 9.0361 12.7604 12.7604 13.9320 13.9320 14.9638 14.9638 16.2409 16.2409 16.3146 16.3146 16.8122 16.8122 16.8775 16.8775 k = 0.2500 0.1443-0.0000 ( 2992 PWs) bands (ev): -41.8690 -41.8690 -41.7871 -41.7871 -18.6576 -18.6576 -18.4438 -18.4438 -18.0582 -18.0582 -17.8321 -17.8321 -17.8131 -17.8131 -17.6743 -17.6743 -5.6236 -5.6236 7.8449 7.8449 8.0808 8.0808 9.0253 9.0253 12.7956 12.7956 13.9100 13.9100 14.9331 14.9331 16.2650 16.2650 16.3348 16.3348 16.8440 16.8440 16.9315 16.9315 k = 0.2581 0.1490-0.0000 ( 2992 PWs) bands (ev): -41.8663 -41.8663 -41.7862 -41.7862 -18.6561 -18.6561 -18.4523 -18.4523 -18.0606 -18.0606 -17.8382 -17.8382 -17.8201 -17.8201 -17.6768 -17.6768 -5.6126 -5.6126 7.7951 7.7951 8.0993 8.0993 9.0144 9.0144 12.8276 12.8276 13.8909 13.8909 14.9047 14.9047 16.2905 16.2905 16.3531 16.3531 16.8781 16.8781 16.9864 16.9864 k = 0.2661 0.1536-0.0000 ( 2996 PWs) bands (ev): -41.8637 -41.8637 -41.7853 -41.7853 -18.6549 -18.6549 -18.4610 -18.4610 -18.0628 -18.0628 -17.8445 -17.8445 -17.8267 -17.8267 -17.6793 -17.6793 -5.6017 -5.6017 7.7465 7.7465 8.1172 8.1172 9.0035 9.0035 12.8561 12.8561 13.8750 13.8750 14.8785 14.8785 16.3171 16.3171 16.3694 16.3694 16.9146 16.9146 17.0419 17.0419 k = 0.2742 0.1583-0.0000 ( 2992 PWs) bands (ev): -41.8610 -41.8610 -41.7844 -41.7844 -18.6538 -18.6538 -18.4697 -18.4697 -18.0648 -18.0648 -17.8511 -17.8511 -17.8327 -17.8327 -17.6819 -17.6819 -5.5910 -5.5910 7.6990 7.6990 8.1345 8.1345 8.9925 8.9925 12.8810 12.8810 13.8623 13.8623 14.8547 14.8547 16.3445 16.3445 16.3843 16.3843 16.9537 16.9537 17.0979 17.0979 k = 0.2823 0.1630-0.0000 ( 2992 PWs) bands (ev): -41.8584 -41.8584 -41.7835 -41.7835 -18.6529 -18.6529 -18.4784 -18.4784 -18.0665 -18.0665 -17.8580 -17.8580 -17.8382 -17.8382 -17.6845 -17.6845 -5.5804 -5.5804 7.6528 7.6528 8.1511 8.1511 8.9816 8.9816 12.9019 12.9019 13.8529 13.8529 14.8333 14.8333 16.3714 16.3714 16.3989 16.3989 16.9953 16.9953 17.1542 17.1542 k = 0.2903 0.1676-0.0000 ( 2988 PWs) bands (ev): -41.8557 -41.8557 -41.7827 -41.7827 -18.6521 -18.6521 -18.4872 -18.4872 -18.0679 -18.0679 -17.8650 -17.8650 -17.8433 -17.8433 -17.6871 -17.6871 -5.5700 -5.5700 7.6079 7.6079 8.1669 8.1669 8.9708 8.9708 12.9188 12.9188 13.8469 13.8469 14.8143 14.8143 16.3931 16.3931 16.4179 16.4179 17.0392 17.0392 17.2105 17.2105 k = 0.2984 0.1723-0.0000 ( 2990 PWs) bands (ev): -41.8531 -41.8531 -41.7819 -41.7819 -18.6516 -18.6516 -18.4960 -18.4960 -18.0691 -18.0691 -17.8721 -17.8721 -17.8480 -17.8480 -17.6898 -17.6898 -5.5598 -5.5598 7.5643 7.5643 8.1819 8.1819 8.9601 8.9601 12.9316 12.9316 13.8442 13.8442 14.7977 14.7977 16.4059 16.4059 16.4452 16.4452 17.0854 17.0854 17.2667 17.2667 k = 0.3065 0.1769-0.0000 ( 2992 PWs) bands (ev): -41.8504 -41.8504 -41.7811 -41.7811 -18.6512 -18.6512 -18.5047 -18.5047 -18.0700 -18.0700 -17.8792 -17.8792 -17.8524 -17.8524 -17.6924 -17.6924 -5.5498 -5.5498 7.5222 7.5222 8.1961 8.1961 8.9494 8.9494 12.9405 12.9405 13.8446 13.8446 14.7835 14.7835 16.4140 16.4140 16.4764 16.4764 17.1336 17.1336 17.3226 17.3226 k = 0.3145 0.1816-0.0000 ( 2994 PWs) bands (ev): -41.8478 -41.8478 -41.7804 -41.7804 -18.6509 -18.6509 -18.5134 -18.5134 -18.0706 -18.0706 -17.8863 -17.8863 -17.8565 -17.8565 -17.6951 -17.6951 -5.5401 -5.5401 7.4815 7.4815 8.2095 8.2095 8.9390 8.9390 12.9456 12.9456 13.8480 13.8480 14.7716 14.7716 16.4197 16.4197 16.5095 16.5095 17.1838 17.1838 17.3782 17.3782 k = 0.3226 0.1862-0.0000 ( 2994 PWs) bands (ev): -41.8453 -41.8453 -41.7797 -41.7797 -18.6509 -18.6509 -18.5220 -18.5220 -18.0710 -18.0710 -17.8933 -17.8933 -17.8603 -17.8603 -17.6978 -17.6978 -5.5307 -5.5307 7.4423 7.4423 8.2221 8.2221 8.9287 8.9287 12.9471 12.9471 13.8541 13.8541 14.7619 14.7619 16.4238 16.4238 16.5435 16.5435 17.2357 17.2357 17.4331 17.4331 k = 0.3306 0.1909-0.0000 ( 3000 PWs) bands (ev): -41.8427 -41.8427 -41.7791 -41.7791 -18.6509 -18.6509 -18.5305 -18.5305 -18.0710 -18.0710 -17.9002 -17.9002 -17.8639 -17.8639 -17.7005 -17.7005 -5.5215 -5.5215 7.4046 7.4046 8.2339 8.2339 8.9186 8.9186 12.9455 12.9455 13.8624 13.8624 14.7543 14.7543 16.4267 16.4267 16.5783 16.5783 17.2892 17.2892 17.4872 17.4872 k = 0.3387 0.1956-0.0000 ( 3000 PWs) bands (ev): -41.8402 -41.8402 -41.7785 -41.7785 -18.6511 -18.6511 -18.5388 -18.5388 -18.0708 -18.0708 -17.9070 -17.9070 -17.8673 -17.8673 -17.7031 -17.7031 -5.5127 -5.5127 7.3685 7.3685 8.2448 8.2448 8.9088 8.9088 12.9412 12.9412 13.8726 13.8726 14.7486 14.7486 16.4285 16.4285 16.6137 16.6137 17.3440 17.3440 17.5403 17.5403 k = 0.3468 0.2002-0.0000 ( 2990 PWs) bands (ev): -41.8378 -41.8378 -41.7779 -41.7779 -18.6515 -18.6515 -18.5470 -18.5470 -18.0704 -18.0704 -17.9136 -17.9136 -17.8705 -17.8705 -17.7058 -17.7058 -5.5042 -5.5042 7.3341 7.3341 8.2550 8.2550 8.8992 8.8992 12.9345 12.9345 13.8843 13.8843 14.7448 14.7448 16.4294 16.4294 16.6494 16.6494 17.3999 17.3999 17.5923 17.5923 k = 0.3548 0.2049-0.0000 ( 2994 PWs) bands (ev): -41.8354 -41.8354 -41.7774 -41.7774 -18.6519 -18.6519 -18.5550 -18.5550 -18.0697 -18.0697 -17.9200 -17.9200 -17.8735 -17.8735 -17.7084 -17.7084 -5.4960 -5.4960 7.3012 7.3012 8.2644 8.2644 8.8900 8.8900 12.9259 12.9259 13.8971 13.8971 14.7427 14.7427 16.4295 16.4295 16.6853 16.6853 17.4568 17.4568 17.6428 17.6428 k = 0.3629 0.2095-0.0000 ( 2994 PWs) bands (ev): -41.8331 -41.8331 -41.7770 -41.7770 -18.6524 -18.6524 -18.5627 -18.5627 -18.0687 -18.0687 -17.9263 -17.9263 -17.8763 -17.8763 -17.7109 -17.7109 -5.4882 -5.4882 7.2699 7.2699 8.2730 8.2730 8.8810 8.8810 12.9159 12.9159 13.9106 13.9106 14.7421 14.7421 16.4291 16.4291 16.7211 16.7211 17.5141 17.5141 17.6917 17.6917 k = 0.3710 0.2142-0.0000 ( 2992 PWs) bands (ev): -41.8308 -41.8308 -41.7766 -41.7766 -18.6530 -18.6530 -18.5702 -18.5702 -18.0675 -18.0675 -17.9324 -17.9324 -17.8789 -17.8789 -17.7134 -17.7134 -5.4808 -5.4808 7.2404 7.2404 8.2809 8.2809 8.8725 8.8725 12.9047 12.9047 13.9244 13.9244 14.7428 14.7428 16.4281 16.4281 16.7569 16.7569 17.5718 17.5718 17.7388 17.7388 k = 0.3790 0.2188-0.0000 ( 2992 PWs) bands (ev): -41.8286 -41.8286 -41.7762 -41.7762 -18.6536 -18.6536 -18.5774 -18.5774 -18.0661 -18.0661 -17.9383 -17.9383 -17.8814 -17.8814 -17.7158 -17.7158 -5.4737 -5.4737 7.2125 7.2125 8.2881 8.2881 8.8643 8.8643 12.8927 12.8927 13.9384 13.9384 14.7447 14.7447 16.4268 16.4268 16.7922 16.7922 17.6294 17.6294 17.7838 17.7838 k = 0.3871 0.2235-0.0000 ( 2992 PWs) bands (ev): -41.8265 -41.8265 -41.7759 -41.7759 -18.6543 -18.6543 -18.5843 -18.5843 -18.0645 -18.0645 -17.9440 -17.9440 -17.8836 -17.8836 -17.7182 -17.7182 -5.4671 -5.4671 7.1864 7.1864 8.2947 8.2947 8.8565 8.8565 12.8803 12.8803 13.9521 13.9521 14.7476 14.7476 16.4252 16.4252 16.8270 16.8270 17.6864 17.6864 17.8264 17.8264 k = 0.3952 0.2281-0.0000 ( 3000 PWs) bands (ev): -41.8245 -41.8245 -41.7757 -41.7757 -18.6550 -18.6550 -18.5909 -18.5909 -18.0628 -18.0628 -17.9495 -17.9495 -17.8857 -17.8857 -17.7204 -17.7204 -5.4609 -5.4609 7.1620 7.1620 8.3006 8.3006 8.8492 8.8492 12.8678 12.8678 13.9655 13.9655 14.7513 14.7513 16.4234 16.4234 16.8611 16.8611 17.7426 17.7426 17.8664 17.8664 k = 0.4032 0.2328-0.0000 ( 2996 PWs) bands (ev): -41.8226 -41.8226 -41.7755 -41.7755 -18.6557 -18.6557 -18.5972 -18.5972 -18.0608 -18.0608 -17.9548 -17.9548 -17.8876 -17.8876 -17.7226 -17.7226 -5.4551 -5.4551 7.1393 7.1393 8.3059 8.3059 8.8423 8.8423 12.8553 12.8553 13.9783 13.9783 14.7556 14.7556 16.4215 16.4215 16.8941 16.8941 17.7975 17.7975 17.9033 17.9033 k = 0.4113 0.2375-0.0000 ( 2988 PWs) bands (ev): -41.8208 -41.8208 -41.7753 -41.7753 -18.6563 -18.6563 -18.6031 -18.6031 -18.0588 -18.0588 -17.9599 -17.9599 -17.8893 -17.8893 -17.7246 -17.7246 -5.4497 -5.4497 7.1184 7.1184 8.3106 8.3106 8.8359 8.8359 12.8431 12.8431 13.9904 13.9904 14.7604 14.7604 16.4195 16.4195 16.9260 16.9260 17.8504 17.8504 17.9370 17.9370 k = 0.4194 0.2421-0.0000 ( 2996 PWs) bands (ev): -41.8191 -41.8191 -41.7752 -41.7752 -18.6569 -18.6569 -18.6086 -18.6086 -18.0566 -18.0566 -17.9648 -17.9648 -17.8909 -17.8909 -17.7265 -17.7265 -5.4448 -5.4448 7.0993 7.0993 8.3148 8.3148 8.8300 8.8300 12.8315 12.8315 14.0017 14.0017 14.7654 14.7654 16.4175 16.4175 16.9564 16.9564 17.9008 17.9008 17.9670 17.9670 k = 0.4274 0.2468-0.0000 ( 2998 PWs) bands (ev): -41.8175 -41.8175 -41.7751 -41.7751 -18.6574 -18.6574 -18.6136 -18.6136 -18.0544 -18.0544 -17.9694 -17.9694 -17.8923 -17.8923 -17.7283 -17.7283 -5.4403 -5.4403 7.0820 7.0820 8.3185 8.3185 8.8246 8.8246 12.8205 12.8205 14.0121 14.0121 14.7705 14.7705 16.4156 16.4156 16.9851 16.9851 17.9479 17.9479 17.9932 17.9932 k = 0.4355 0.2514-0.0000 ( 2994 PWs) bands (ev): -41.8161 -41.8161 -41.7750 -41.7750 -18.6579 -18.6579 -18.6183 -18.6183 -18.0521 -18.0521 -17.9738 -17.9738 -17.8936 -17.8936 -17.7299 -17.7299 -5.4363 -5.4363 7.0664 7.0664 8.3217 8.3217 8.8197 8.8197 12.8103 12.8103 14.0215 14.0215 14.7756 14.7756 16.4138 16.4138 17.0118 17.0118 17.9906 17.9906 18.0154 18.0154 k = 0.4435 0.2561-0.0000 ( 2998 PWs) bands (ev): -41.8148 -41.8148 -41.7750 -41.7750 -18.6582 -18.6582 -18.6225 -18.6225 -18.0498 -18.0498 -17.9779 -17.9779 -17.8947 -17.8947 -17.7314 -17.7314 -5.4327 -5.4327 7.0527 7.0527 8.3244 8.3244 8.8154 8.8154 12.8010 12.8010 14.0299 14.0299 14.7804 14.7804 16.4122 16.4122 17.0363 17.0363 18.0259 18.0259 18.0345 18.0345 k = 0.4516 0.2607-0.0000 ( 2998 PWs) bands (ev): -41.8136 -41.8136 -41.7750 -41.7750 -18.6585 -18.6585 -18.6263 -18.6263 -18.0476 -18.0476 -17.9816 -17.9816 -17.8956 -17.8956 -17.7327 -17.7327 -5.4296 -5.4296 7.0408 7.0408 8.3268 8.3268 8.8116 8.8116 12.7928 12.7928 14.0372 14.0372 14.7849 14.7849 16.4107 16.4107 17.0583 17.0583 18.0454 18.0454 18.0555 18.0555 k = 0.4597 0.2654-0.0000 ( 2998 PWs) bands (ev): -41.8126 -41.8126 -41.7750 -41.7750 -18.6587 -18.6587 -18.6296 -18.6296 -18.0454 -18.0454 -17.9851 -17.9851 -17.8964 -17.8964 -17.7338 -17.7338 -5.4269 -5.4269 7.0307 7.0307 8.3287 8.3287 8.8084 8.8084 12.7857 12.7857 14.0434 14.0434 14.7889 14.7889 16.4094 16.4094 17.0774 17.0774 18.0565 18.0565 18.0702 18.0702 k = 0.4677 0.2701-0.0000 ( 2998 PWs) bands (ev): -41.8118 -41.8118 -41.7750 -41.7750 -18.6588 -18.6588 -18.6324 -18.6324 -18.0435 -18.0435 -17.9880 -17.9880 -17.8971 -17.8971 -17.7347 -17.7347 -5.4248 -5.4248 7.0225 7.0225 8.3303 8.3303 8.8057 8.8057 12.7798 12.7798 14.0485 14.0485 14.7924 14.7924 16.4083 16.4083 17.0935 17.0935 18.0643 18.0643 18.0789 18.0789 k = 0.4758 0.2747-0.0000 ( 3004 PWs) bands (ev): -41.8111 -41.8111 -41.7750 -41.7750 -18.6588 -18.6588 -18.6346 -18.6346 -18.0418 -18.0418 -17.9905 -17.9905 -17.8975 -17.8975 -17.7354 -17.7354 -5.4231 -5.4231 7.0160 7.0160 8.3315 8.3315 8.8036 8.8036 12.7751 12.7751 14.0524 14.0524 14.7951 14.7951 16.4074 16.4074 17.1063 17.1063 18.0697 18.0697 18.0844 18.0844 k = 0.4839 0.2794-0.0000 ( 3000 PWs) bands (ev): -41.8107 -41.8107 -41.7750 -41.7750 -18.6588 -18.6588 -18.6362 -18.6362 -18.0405 -18.0405 -17.9924 -17.9924 -17.8979 -17.8979 -17.7359 -17.7359 -5.4219 -5.4219 7.0114 7.0114 8.3323 8.3323 8.8021 8.8021 12.7718 12.7718 14.0553 14.0553 14.7972 14.7972 16.4068 16.4068 17.1156 17.1156 18.0732 18.0732 18.0880 18.0880 k = 0.4919 0.2840-0.0000 ( 3000 PWs) bands (ev): -41.8104 -41.8104 -41.7750 -41.7750 -18.6588 -18.6588 -18.6372 -18.6372 -18.0396 -18.0396 -17.9936 -17.9936 -17.8981 -17.8981 -17.7362 -17.7362 -5.4212 -5.4212 7.0087 7.0087 8.3328 8.3328 8.8013 8.8013 12.7698 12.7698 14.0570 14.0570 14.7984 14.7984 16.4064 16.4064 17.1212 17.1212 18.0752 18.0752 18.0901 18.0901 k = 0.5000 0.2887-0.0000 ( 3006 PWs) bands (ev): -41.8103 -41.8103 -41.7750 -41.7750 -18.6588 -18.6588 -18.6375 -18.6375 -18.0393 -18.0393 -17.9940 -17.9940 -17.8982 -17.8982 -17.7363 -17.7363 -5.4209 -5.4209 7.0077 7.0077 8.3330 8.3330 8.8010 8.8010 12.7691 12.7691 14.0575 14.0575 14.7988 14.7988 16.4063 16.4063 17.1231 17.1231 18.0759 18.0759 18.0907 18.0908 k = 0.5000 0.2887-0.0000 ( 3006 PWs) bands (ev): -41.8103 -41.8103 -41.7750 -41.7750 -18.6588 -18.6588 -18.6375 -18.6375 -18.0393 -18.0393 -17.9940 -17.9940 -17.8982 -17.8982 -17.7363 -17.7363 -5.4209 -5.4209 7.0077 7.0077 8.3330 8.3330 8.8010 8.8010 12.7691 12.7691 14.0575 14.0575 14.7988 14.7988 16.4063 16.4063 17.1231 17.1231 18.0759 18.0759 18.0907 18.0907 k = 0.4954 0.2967-0.0000 ( 3002 PWs) bands (ev): -41.8103 -41.8103 -41.7750 -41.7750 -18.6588 -18.6588 -18.6374 -18.6374 -18.0392 -18.0392 -17.9941 -17.9941 -17.8983 -17.8983 -17.7365 -17.7365 -5.4209 -5.4209 7.0084 7.0084 8.3332 8.3332 8.7995 8.7995 12.7708 12.7708 14.0574 14.0574 14.7972 14.7972 16.4072 16.4072 17.1220 17.1220 18.0751 18.0751 18.0885 18.0885 k = 0.4907 0.3047-0.0000 ( 3002 PWs) bands (ev): -41.8102 -41.8102 -41.7750 -41.7750 -18.6588 -18.6588 -18.6372 -18.6372 -18.0390 -18.0390 -17.9943 -17.9943 -17.8987 -17.8987 -17.7371 -17.7371 -5.4206 -5.4206 7.0105 7.0105 8.3340 8.3340 8.7953 8.7953 12.7758 12.7758 14.0569 14.0569 14.7923 14.7923 16.4099 16.4099 17.1188 17.1188 18.0715 18.0715 18.0830 18.0830 k = 0.4861 0.3127-0.0000 ( 3010 PWs) bands (ev): -41.8100 -41.8100 -41.7750 -41.7750 -18.6587 -18.6587 -18.6368 -18.6368 -18.0385 -18.0385 -17.9947 -17.9947 -17.8993 -17.8993 -17.7381 -17.7381 -5.4203 -5.4203 7.0140 7.0140 8.3354 8.3354 8.7882 8.7882 12.7841 12.7841 14.0561 14.0561 14.7842 14.7842 16.4144 16.4144 17.1134 17.1134 18.0615 18.0615 18.0781 18.0781 k = 0.4815 0.3208-0.0000 ( 3012 PWs) bands (ev): -41.8098 -41.8098 -41.7750 -41.7750 -18.6587 -18.6587 -18.6363 -18.6363 -18.0379 -18.0379 -17.9952 -17.9952 -17.9002 -17.9002 -17.7394 -17.7394 -5.4198 -5.4198 7.0188 7.0188 8.3372 8.3372 8.7784 8.7784 12.7956 12.7956 14.0549 14.0549 14.7731 14.7731 16.4207 16.4207 17.1060 17.1060 18.0454 18.0454 18.0738 18.0738 k = 0.4769 0.3288-0.0000 ( 3004 PWs) bands (ev): -41.8096 -41.8096 -41.7750 -41.7750 -18.6587 -18.6587 -18.6356 -18.6356 -18.0371 -18.0371 -17.9959 -17.9959 -17.9013 -17.9013 -17.7411 -17.7411 -5.4191 -5.4191 7.0250 7.0250 8.3396 8.3396 8.7659 8.7659 12.8103 12.8103 14.0535 14.0535 14.7591 14.7591 16.4289 16.4289 17.0966 17.0966 18.0254 18.0254 18.0684 18.0684 k = 0.4722 0.3368-0.0000 ( 3004 PWs) bands (ev): -41.8092 -41.8092 -41.7750 -41.7750 -18.6587 -18.6587 -18.6348 -18.6348 -18.0361 -18.0361 -17.9968 -17.9968 -17.9026 -17.9026 -17.7431 -17.7431 -5.4184 -5.4184 7.0326 7.0326 8.3424 8.3424 8.7507 8.7507 12.8281 12.8281 14.0517 14.0517 14.7426 14.7426 16.4388 16.4388 17.0853 17.0853 18.0027 18.0027 18.0613 18.0613 k = 0.4676 0.3448-0.0000 ( 2998 PWs) bands (ev): -41.8089 -41.8089 -41.7750 -41.7750 -18.6587 -18.6587 -18.6338 -18.6338 -18.0350 -18.0350 -17.9977 -17.9977 -17.9041 -17.9041 -17.7456 -17.7456 -5.4175 -5.4175 7.0414 7.0414 8.3457 8.3457 8.7330 8.7330 12.8489 12.8489 14.0497 14.0497 14.7237 14.7237 16.4504 16.4504 17.0722 17.0722 17.9780 17.9780 18.0522 18.0522 k = 0.4630 0.3528-0.0000 ( 2996 PWs) bands (ev): -41.8084 -41.8084 -41.7751 -41.7751 -18.6586 -18.6586 -18.6328 -18.6328 -18.0338 -18.0338 -17.9989 -17.9989 -17.9057 -17.9057 -17.7483 -17.7483 -5.4164 -5.4164 7.0516 7.0516 8.3495 8.3495 8.7129 8.7129 12.8725 12.8725 14.0474 14.0474 14.7027 14.7027 16.4638 16.4638 17.0576 17.0576 17.9522 17.9522 18.0408 18.0408 k = 0.4583 0.3608-0.0000 ( 3000 PWs) bands (ev): -41.8079 -41.8079 -41.7751 -41.7751 -18.6586 -18.6586 -18.6316 -18.6316 -18.0324 -18.0324 -18.0001 -18.0001 -17.9076 -17.9076 -17.7514 -17.7514 -5.4153 -5.4153 7.0630 7.0630 8.3536 8.3536 8.6905 8.6905 12.8988 12.8988 14.0449 14.0449 14.6799 14.6799 16.4789 16.4789 17.0416 17.0416 17.9255 17.9255 18.0272 18.0272 k = 0.4537 0.3689-0.0000 ( 3004 PWs) bands (ev): -41.8074 -41.8074 -41.7751 -41.7751 -18.6585 -18.6585 -18.6304 -18.6304 -18.0309 -18.0309 -18.0014 -18.0014 -17.9096 -17.9096 -17.7547 -17.7547 -5.4140 -5.4140 7.0757 7.0757 8.3581 8.3581 8.6659 8.6659 12.9277 12.9277 14.0421 14.0421 14.6557 14.6557 16.4957 16.4957 17.0242 17.0242 17.8986 17.8986 18.0112 18.0112 k = 0.4491 0.3769-0.0000 ( 3016 PWs) bands (ev): -41.8068 -41.8068 -41.7751 -41.7751 -18.6584 -18.6584 -18.6291 -18.6291 -18.0294 -18.0294 -18.0028 -18.0028 -17.9116 -17.9116 -17.7584 -17.7584 -5.4127 -5.4127 7.0897 7.0897 8.3629 8.3629 8.6393 8.6393 12.9588 12.9588 14.0392 14.0392 14.6303 14.6303 16.5141 16.5141 17.0058 17.0058 17.8716 17.8716 17.9927 17.9927 k = 0.4444 0.3849-0.0000 ( 3008 PWs) bands (ev): -41.8062 -41.8062 -41.7751 -41.7751 -18.6584 -18.6584 -18.6277 -18.6277 -18.0278 -18.0278 -18.0043 -18.0043 -17.9138 -17.9138 -17.7623 -17.7623 -5.4112 -5.4112 7.1048 7.1048 8.3681 8.3681 8.6107 8.6107 12.9921 12.9921 14.0361 14.0361 14.6041 14.6041 16.5341 16.5341 16.9866 16.9866 17.8450 17.8450 17.9716 17.9716 k = 0.4398 0.3929-0.0000 ( 3012 PWs) bands (ev): -41.8055 -41.8055 -41.7752 -41.7752 -18.6583 -18.6583 -18.6262 -18.6262 -18.0264 -18.0264 -18.0056 -18.0056 -17.9160 -17.9160 -17.7665 -17.7665 -5.4097 -5.4097 7.1211 7.1211 8.3734 8.3734 8.5804 8.5804 13.0272 13.0272 14.0329 14.0329 14.5773 14.5773 16.5556 16.5556 16.9667 16.9667 17.8190 17.8190 17.9479 17.9479 k = 0.4352 0.4009-0.0000 ( 3016 PWs) bands (ev): -41.8048 -41.8048 -41.7752 -41.7752 -18.6582 -18.6582 -18.6248 -18.6248 -18.0251 -18.0251 -18.0068 -18.0068 -17.9182 -17.9182 -17.7710 -17.7710 -5.4080 -5.4080 7.1384 7.1384 8.3790 8.3790 8.5485 8.5485 13.0640 13.0640 14.0297 14.0297 14.5501 14.5501 16.5785 16.5785 16.9463 16.9463 17.7937 17.7937 17.9217 17.9217 k = 0.4306 0.4090-0.0000 ( 3012 PWs) bands (ev): -41.8040 -41.8040 -41.7753 -41.7753 -18.6581 -18.6581 -18.6232 -18.6232 -18.0243 -18.0243 -18.0076 -18.0076 -17.9204 -17.9204 -17.7756 -17.7756 -5.4064 -5.4064 7.1569 7.1569 8.3846 8.3846 8.5152 8.5152 13.1022 13.1022 14.0265 14.0265 14.5229 14.5229 16.6028 16.6028 16.9258 16.9258 17.7693 17.7693 17.8932 17.8932 k = 0.4259 0.4170-0.0000 ( 3004 PWs) bands (ev): -41.8032 -41.8032 -41.7754 -41.7754 -18.6580 -18.6580 -18.6217 -18.6217 -18.0240 -18.0240 -18.0079 -18.0079 -17.9225 -17.9225 -17.7805 -17.7805 -5.4046 -5.4046 7.1765 7.1765 8.3903 8.3903 8.4807 8.4807 13.1414 13.1414 14.0235 14.0235 14.4959 14.4959 16.6283 16.6283 16.9053 16.9053 17.7459 17.7459 17.8625 17.8625 k = 0.4213 0.4250-0.0000 ( 3008 PWs) bands (ev): -41.8024 -41.8024 -41.7755 -41.7755 -18.6579 -18.6579 -18.6201 -18.6201 -18.0245 -18.0245 -18.0074 -18.0074 -17.9245 -17.9245 -17.7855 -17.7855 -5.4029 -5.4029 7.1970 7.1970 8.3958 8.3958 8.4453 8.4453 13.1814 13.1814 14.0207 14.0207 14.4693 14.4693 16.6548 16.6548 16.8851 16.8851 17.7237 17.7237 17.8301 17.8301 k = 0.4167 0.4330-0.0000 ( 3004 PWs) bands (ev): -41.8015 -41.8015 -41.7756 -41.7756 -18.6578 -18.6578 -18.6186 -18.6186 -18.0257 -18.0257 -18.0064 -18.0064 -17.9264 -17.9264 -17.7907 -17.7907 -5.4011 -5.4011 7.2185 7.2185 8.3974 8.3974 8.4126 8.4126 13.2219 13.2219 14.0182 14.0182 14.4432 14.4432 16.6823 16.6823 16.8654 16.8654 17.7028 17.7028 17.7962 17.7962 k = 0.4120 0.4410-0.0000 ( 3002 PWs) bands (ev): -41.8006 -41.8006 -41.7758 -41.7758 -18.6577 -18.6577 -18.6171 -18.6171 -18.0274 -18.0274 -18.0048 -18.0048 -17.9280 -17.9280 -17.7960 -17.7960 -5.3992 -5.3992 7.2409 7.2409 8.3682 8.3682 8.4100 8.4100 13.2623 13.2623 14.0161 14.0161 14.4178 14.4178 16.7104 16.7104 16.8466 16.8466 17.6830 17.6830 17.7614 17.7614 k = 0.4074 0.4491-0.0000 ( 2998 PWs) bands (ev): -41.7997 -41.7997 -41.7759 -41.7759 -18.6577 -18.6577 -18.6156 -18.6156 -18.0295 -18.0295 -18.0031 -18.0031 -17.9294 -17.9294 -17.8015 -17.8015 -5.3974 -5.3974 7.2642 7.2642 8.3304 8.3304 8.4152 8.4152 13.3024 13.3024 14.0147 14.0147 14.3933 14.3933 16.7389 16.7389 16.8289 16.8289 17.6645 17.6645 17.7260 17.7260 k = 0.4028 0.4571-0.0000 ( 2998 PWs) bands (ev): -41.7987 -41.7987 -41.7761 -41.7761 -18.6576 -18.6576 -18.6141 -18.6141 -18.0318 -18.0318 -18.0013 -18.0013 -17.9305 -17.9305 -17.8070 -17.8070 -5.3956 -5.3956 7.2884 7.2884 8.2916 8.2916 8.4206 8.4206 13.3417 13.3417 14.0140 14.0140 14.3698 14.3698 16.7670 16.7670 16.8131 16.8131 17.6470 17.6470 17.6907 17.6907 k = 0.3981 0.4651-0.0000 ( 3002 PWs) bands (ev): -41.7978 -41.7978 -41.7763 -41.7763 -18.6576 -18.6576 -18.6127 -18.6127 -18.0342 -18.0342 -17.9995 -17.9995 -17.9313 -17.9313 -17.8126 -17.8126 -5.3938 -5.3938 7.3134 7.3134 8.2522 8.2522 8.4261 8.4261 13.3798 13.3798 14.0143 14.0143 14.3473 14.3473 16.7882 16.7882 16.8054 16.8054 17.6296 17.6296 17.6569 17.6569 k = 0.3935 0.4731-0.0000 ( 2998 PWs) bands (ev): -41.7968 -41.7968 -41.7766 -41.7766 -18.6576 -18.6576 -18.6114 -18.6114 -18.0366 -18.0366 -17.9978 -17.9978 -17.9316 -17.9316 -17.8183 -17.8183 -5.3920 -5.3920 7.3391 7.3391 8.2125 8.2125 8.4313 8.4313 13.4162 13.4162 14.0157 14.0157 14.3259 14.3259 16.7813 16.7813 16.8271 16.8271 17.6085 17.6085 17.6291 17.6291 k = 0.3889 0.4811-0.0000 ( 2994 PWs) bands (ev): -41.7958 -41.7958 -41.7769 -41.7769 -18.6576 -18.6576 -18.6101 -18.6101 -18.0391 -18.0391 -17.9962 -17.9962 -17.9314 -17.9314 -17.8240 -17.8240 -5.3903 -5.3903 7.3655 7.3655 8.1726 8.1726 8.4363 8.4363 13.4505 13.4505 14.0185 14.0185 14.3057 14.3057 16.7707 16.7707 16.8532 16.8532 17.5799 17.5799 17.6116 17.6116 k = 0.3843 0.4891-0.0000 ( 2996 PWs) bands (ev): -41.7948 -41.7948 -41.7772 -41.7772 -18.6577 -18.6577 -18.6089 -18.6089 -18.0415 -18.0415 -17.9949 -17.9949 -17.9307 -17.9307 -17.8298 -17.8298 -5.3887 -5.3887 7.3927 7.3927 8.1327 8.1327 8.4410 8.4410 13.4822 13.4822 14.0227 14.0227 14.2867 14.2867 16.7619 16.7619 16.8778 16.8778 17.5497 17.5497 17.5991 17.5991 k = 0.3796 0.4972-0.0000 ( 2992 PWs) bands (ev): -41.7937 -41.7937 -41.7776 -41.7776 -18.6578 -18.6578 -18.6078 -18.6078 -18.0438 -18.0438 -17.9939 -17.9939 -17.9295 -17.9295 -17.8355 -17.8355 -5.3871 -5.3871 7.4204 7.4204 8.0929 8.0929 8.4454 8.4454 13.5110 13.5110 14.0285 14.0285 14.2689 14.2689 16.7555 16.7555 16.8998 16.8998 17.5215 17.5215 17.5889 17.5889 k = 0.3750 0.5052-0.0000 ( 2988 PWs) bands (ev): -41.7927 -41.7927 -41.7780 -41.7780 -18.6579 -18.6579 -18.6068 -18.6068 -18.0460 -18.0460 -17.9930 -17.9930 -17.9278 -17.9278 -17.8412 -17.8412 -5.3856 -5.3856 7.4488 7.4488 8.0533 8.0533 8.4494 8.4494 13.5365 13.5365 14.0359 14.0359 14.2522 14.2522 16.7516 16.7516 16.9180 16.9180 17.4966 17.4966 17.5803 17.5803 k = 0.3704 0.5132-0.0000 ( 2988 PWs) bands (ev): -41.7917 -41.7917 -41.7784 -41.7784 -18.6580 -18.6580 -18.6060 -18.6060 -18.0481 -18.0481 -17.9925 -17.9925 -17.9257 -17.9257 -17.8469 -17.8469 -5.3842 -5.3842 7.4778 7.4778 8.0140 8.0140 8.4530 8.4530 13.5586 13.5586 14.0449 14.0449 14.2365 14.2365 16.7506 16.7506 16.9315 16.9315 17.4760 17.4760 17.5732 17.5732 k = 0.3657 0.5212-0.0000 ( 2988 PWs) bands (ev): -41.7907 -41.7907 -41.7789 -41.7789 -18.6581 -18.6581 -18.6052 -18.6052 -18.0500 -18.0500 -17.9921 -17.9921 -17.9230 -17.9230 -17.8525 -17.8525 -5.3829 -5.3829 7.5072 7.5072 7.9753 7.9753 8.4563 8.4563 13.5773 13.5773 14.0553 14.0553 14.2220 14.2220 16.7525 16.7525 16.9394 16.9394 17.4604 17.4604 17.5675 17.5675 k = 0.3611 0.5292-0.0000 ( 2992 PWs) bands (ev): -41.7896 -41.7896 -41.7795 -41.7795 -18.6582 -18.6582 -18.6045 -18.6045 -18.0517 -18.0517 -17.9918 -17.9918 -17.9200 -17.9200 -17.8580 -17.8580 -5.3818 -5.3818 7.5372 7.5372 7.9370 7.9370 8.4591 8.4591 13.5926 13.5926 14.0669 14.0669 14.2083 14.2083 16.7575 16.7575 16.9412 16.9412 17.4498 17.4498 17.5629 17.5629 k = 0.3565 0.5373-0.0000 ( 2994 PWs) bands (ev): -41.7886 -41.7886 -41.7800 -41.7800 -18.6584 -18.6584 -18.6040 -18.6040 -18.0532 -18.0532 -17.9917 -17.9917 -17.9167 -17.9167 -17.8634 -17.8634 -5.3808 -5.3808 7.5676 7.5676 7.8995 7.8995 8.4614 8.4614 13.6047 13.6047 14.0792 14.0792 14.1955 14.1955 16.7656 16.7656 16.9367 16.9367 17.4440 17.4440 17.5595 17.5595 k = 0.3519 0.5453-0.0000 ( 2994 PWs) bands (ev): -41.7876 -41.7876 -41.7807 -41.7807 -18.6585 -18.6585 -18.6036 -18.6036 -18.0544 -18.0544 -17.9917 -17.9917 -17.9131 -17.9131 -17.8686 -17.8686 -5.3799 -5.3799 7.5984 7.5984 7.8627 7.8627 8.4634 8.4634 13.6138 13.6138 14.0919 14.0919 14.1835 14.1835 16.7767 16.7767 16.9266 16.9266 17.4419 17.4419 17.5572 17.5572 k = 0.3472 0.5533-0.0000 ( 2998 PWs) bands (ev): -41.7866 -41.7866 -41.7814 -41.7814 -18.6586 -18.6586 -18.6032 -18.6032 -18.0554 -18.0554 -17.9917 -17.9917 -17.9095 -17.9095 -17.8734 -17.8734 -5.3792 -5.3792 7.6296 7.6296 7.8267 7.8267 8.4649 8.4649 13.6204 13.6204 14.1047 14.1047 14.1720 14.1720 16.7908 16.7908 16.9118 16.9118 17.4424 17.4424 17.5557 17.5557 k = 0.3426 0.5613-0.0000 ( 2998 PWs) bands (ev): -41.7857 -41.7857 -41.7821 -41.7821 -18.6587 -18.6587 -18.6030 -18.6030 -18.0561 -18.0561 -17.9918 -17.9918 -17.9061 -17.9061 -17.8778 -17.8778 -5.3787 -5.3787 7.6611 7.6611 7.7918 7.7918 8.4659 8.4659 13.6248 13.6248 14.1170 14.1170 14.1611 14.1611 16.8078 16.8078 16.8933 16.8933 17.4439 17.4439 17.5549 17.5549 k = 0.3380 0.5693-0.0000 ( 3002 PWs) bands (ev): -41.7847 -41.7847 -41.7830 -41.7830 -18.6588 -18.6588 -18.6029 -18.6029 -18.0565 -18.0565 -17.9918 -17.9918 -17.9034 -17.9034 -17.8810 -17.8810 -5.3784 -5.3784 7.6929 7.6929 7.7579 7.7579 8.4665 8.4665 13.6272 13.6272 14.1286 14.1286 14.1506 14.1506 16.8275 16.8275 16.8722 16.8722 17.4453 17.4453 17.5546 17.5546 k = 0.3333 0.5774-0.0000 ( 3006 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6588 -18.6588 -18.6029 -18.6029 -18.0567 -18.0567 -17.9918 -17.9918 -17.9022 -17.9022 -17.8823 -17.8823 -5.3783 -5.3783 7.7233 7.7233 7.7268 7.7268 8.4667 8.4667 13.6279 13.6279 14.1373 14.1373 14.1423 14.1423 16.8483 16.8483 16.8509 16.8509 17.4459 17.4459 17.5546 17.5546 k = 0.3333 0.5774-0.0000 ( 3006 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6588 -18.6588 -18.6029 -18.6029 -18.0567 -18.0567 -17.9918 -17.9918 -17.9022 -17.9022 -17.8823 -17.8823 -5.3783 -5.3783 7.7233 7.7233 7.7268 7.7268 8.4667 8.4667 13.6279 13.6279 14.1373 14.1373 14.1423 14.1423 16.8483 16.8483 16.8509 16.8509 17.4459 17.4459 17.5546 17.5546 k = 0.3286 0.5692-0.0000 ( 3006 PWs) bands (ev): -41.7848 -41.7848 -41.7829 -41.7829 -18.6588 -18.6588 -18.6029 -18.6029 -18.0565 -18.0565 -17.9918 -17.9918 -17.9034 -17.9034 -17.8810 -17.8810 -5.3784 -5.3784 7.6930 7.6930 7.7578 7.7578 8.4665 8.4665 13.6272 13.6272 14.1289 14.1289 14.1502 14.1502 16.8258 16.8258 16.8741 16.8741 17.4452 17.4452 17.5545 17.5545 k = 0.3239 0.5611-0.0000 ( 2996 PWs) bands (ev): -41.7858 -41.7858 -41.7821 -41.7821 -18.6587 -18.6587 -18.6030 -18.6030 -18.0561 -18.0561 -17.9918 -17.9918 -17.9062 -17.9062 -17.8776 -17.8776 -5.3788 -5.3788 7.6623 7.6623 7.7908 7.7908 8.4659 8.4659 13.6253 13.6253 14.1184 14.1184 14.1590 14.1590 16.8019 16.8019 16.9003 16.9003 17.4430 17.4430 17.5540 17.5540 k = 0.3192 0.5530-0.0000 ( 2992 PWs) bands (ev): -41.7869 -41.7869 -41.7812 -41.7812 -18.6585 -18.6585 -18.6031 -18.6031 -18.0553 -18.0553 -17.9917 -17.9917 -17.9096 -17.9096 -17.8733 -17.8733 -5.3794 -5.3794 7.6331 7.6331 7.8238 7.8238 8.4650 8.4650 13.6222 13.6222 14.1076 14.1076 14.1668 14.1668 16.7784 16.7784 16.9277 16.9277 17.4395 17.4395 17.5524 17.5524 k = 0.3146 0.5448-0.0000 ( 2992 PWs) bands (ev): -41.7880 -41.7880 -41.7804 -41.7804 -18.6583 -18.6583 -18.6033 -18.6033 -18.0543 -18.0543 -17.9917 -17.9917 -17.9132 -17.9132 -17.8683 -17.8683 -5.3802 -5.3802 7.6052 7.6052 7.8570 7.8570 8.4637 8.4637 13.6182 13.6182 14.0964 14.0964 14.1737 14.1737 16.7556 16.7556 16.9560 16.9560 17.4347 17.4347 17.5493 17.5493 k = 0.3099 0.5367-0.0000 ( 2992 PWs) bands (ev): -41.7892 -41.7892 -41.7797 -41.7797 -18.6580 -18.6580 -18.6034 -18.6034 -18.0530 -18.0530 -17.9917 -17.9917 -17.9167 -17.9167 -17.8631 -17.8631 -5.3813 -5.3813 7.5790 7.5790 7.8902 7.8902 8.4621 8.4621 13.6133 13.6133 14.0848 14.0848 14.1798 14.1798 16.7338 16.7338 16.9845 16.9845 17.4290 17.4290 17.5438 17.5438 k = 0.3052 0.5286-0.0000 ( 2996 PWs) bands (ev): -41.7905 -41.7905 -41.7790 -41.7790 -18.6576 -18.6576 -18.6035 -18.6035 -18.0514 -18.0514 -17.9918 -17.9918 -17.9199 -17.9199 -17.8577 -17.8577 -5.3827 -5.3827 7.5543 7.5543 7.9233 7.9233 8.4602 8.4602 13.6075 13.6075 14.0726 14.0726 14.1852 14.1852 16.7132 16.7132 17.0127 17.0127 17.4225 17.4225 17.5355 17.5355 k = 0.3005 0.5204-0.0000 ( 2988 PWs) bands (ev): -41.7918 -41.7918 -41.7783 -41.7783 -18.6571 -18.6571 -18.6035 -18.6035 -18.0497 -18.0497 -17.9920 -17.9920 -17.9228 -17.9228 -17.8521 -17.8521 -5.3844 -5.3844 7.5313 7.5313 7.9564 7.9564 8.4581 8.4581 13.6010 13.6010 14.0599 14.0599 14.1901 14.1901 16.6940 16.6940 17.0401 17.0401 17.4155 17.4155 17.5238 17.5238 k = 0.2958 0.5123-0.0000 ( 2992 PWs) bands (ev): -41.7933 -41.7933 -41.7777 -41.7777 -18.6565 -18.6565 -18.6035 -18.6035 -18.0477 -18.0477 -17.9923 -17.9923 -17.9251 -17.9251 -17.8464 -17.8464 -5.3864 -5.3864 7.5100 7.5100 7.9893 7.9893 8.4559 8.4559 13.5937 13.5937 14.0465 14.0465 14.1948 14.1948 16.6761 16.6761 17.0661 17.0661 17.4082 17.4082 17.5088 17.5088 k = 0.2911 0.5042-0.0000 ( 2992 PWs) bands (ev): -41.7948 -41.7948 -41.7771 -41.7771 -18.6558 -18.6558 -18.6033 -18.6033 -18.0456 -18.0456 -17.9927 -17.9927 -17.9269 -17.9269 -17.8406 -17.8406 -5.3887 -5.3887 7.4904 7.4904 8.0220 8.0220 8.4535 8.4535 13.5856 13.5856 14.0325 14.0325 14.1994 14.1994 16.6596 16.6596 17.0901 17.0901 17.4007 17.4007 17.4910 17.4910 k = 0.2864 0.4960-0.0000 ( 2994 PWs) bands (ev): -41.7963 -41.7963 -41.7766 -41.7766 -18.6551 -18.6551 -18.6029 -18.6029 -18.0434 -18.0434 -17.9933 -17.9933 -17.9281 -17.9281 -17.8348 -17.8348 -5.3913 -5.3913 7.4727 7.4727 8.0543 8.0543 8.4512 8.4512 13.5767 13.5767 14.0178 14.0178 14.2041 14.2041 16.6444 16.6444 17.1113 17.1113 17.3930 17.3930 17.4713 17.4713 k = 0.2817 0.4879-0.0000 ( 2986 PWs) bands (ev): -41.7980 -41.7980 -41.7762 -41.7762 -18.6543 -18.6543 -18.6023 -18.6023 -18.0412 -18.0412 -17.9939 -17.9939 -17.9287 -17.9287 -17.8290 -17.8290 -5.3942 -5.3942 7.4569 7.4569 8.0862 8.0862 8.4489 8.4489 13.5671 13.5671 14.0026 14.0026 14.2093 14.2093 16.6304 16.6304 17.1290 17.1290 17.3853 17.3853 17.4508 17.4508 k = 0.2770 0.4798-0.0000 ( 2990 PWs) bands (ev): -41.7997 -41.7997 -41.7758 -41.7758 -18.6535 -18.6535 -18.6015 -18.6015 -18.0391 -18.0391 -17.9944 -17.9944 -17.9287 -17.9287 -17.8232 -17.8232 -5.3975 -5.3975 7.4430 7.4430 8.1174 8.1174 8.4468 8.4468 13.5566 13.5566 13.9868 13.9868 14.2150 14.2150 16.6175 16.6175 17.1422 17.1422 17.3776 17.3776 17.4310 17.4310 k = 0.2723 0.4716-0.0000 ( 2990 PWs) bands (ev): -41.8014 -41.8014 -41.7754 -41.7754 -18.6526 -18.6526 -18.6004 -18.6004 -18.0374 -18.0374 -17.9947 -17.9947 -17.9281 -17.9281 -17.8173 -17.8173 -5.4011 -5.4011 7.4310 7.4310 8.1478 8.1478 8.4452 8.4452 13.5453 13.5453 13.9706 13.9706 14.2214 14.2214 16.6056 16.6056 17.1498 17.1498 17.3699 17.3699 17.4134 17.4134 k = 0.2676 0.4635-0.0000 ( 2994 PWs) bands (ev): -41.8033 -41.8033 -41.7751 -41.7751 -18.6517 -18.6517 -18.5990 -18.5990 -18.0360 -18.0360 -17.9946 -17.9946 -17.9269 -17.9269 -17.8115 -17.8115 -5.4050 -5.4050 7.4210 7.4210 8.1770 8.1770 8.4442 8.4442 13.5332 13.5332 13.9541 13.9541 14.2287 14.2287 16.5944 16.5944 17.1507 17.1507 17.3625 17.3625 17.3993 17.3993 k = 0.2629 0.4554-0.0000 ( 2990 PWs) bands (ev): -41.8052 -41.8052 -41.7749 -41.7749 -18.6509 -18.6509 -18.5972 -18.5972 -18.0353 -18.0353 -17.9939 -17.9939 -17.9252 -17.9252 -17.8057 -17.8057 -5.4093 -5.4093 7.4130 7.4130 8.2047 8.2047 8.4442 8.4442 13.5201 13.5201 13.9373 13.9373 14.2371 14.2371 16.5837 16.5837 17.1441 17.1441 17.3555 17.3555 17.3894 17.3894 k = 0.2582 0.4472-0.0000 ( 2984 PWs) bands (ev): -41.8072 -41.8072 -41.7747 -41.7747 -18.6500 -18.6500 -18.5950 -18.5950 -18.0352 -18.0352 -17.9924 -17.9924 -17.9230 -17.9230 -17.7999 -17.7999 -5.4139 -5.4139 7.4071 7.4071 8.2303 8.2303 8.4458 8.4458 13.5062 13.5062 13.9205 13.9205 14.2466 14.2466 16.5735 16.5735 17.1302 17.1302 17.3492 17.3492 17.3837 17.3837 k = 0.2535 0.4391-0.0000 ( 2980 PWs) bands (ev): -41.8092 -41.8092 -41.7746 -41.7746 -18.6492 -18.6492 -18.5925 -18.5925 -18.0359 -18.0359 -17.9901 -17.9901 -17.9204 -17.9204 -17.7941 -17.7941 -5.4189 -5.4189 7.4032 7.4032 8.2530 8.2530 8.4496 8.4496 13.4915 13.4915 13.9037 13.9037 14.2574 14.2574 16.5633 16.5633 17.1099 17.1099 17.3433 17.3433 17.3818 17.3818 k = 0.2488 0.4310-0.0000 ( 2984 PWs) bands (ev): -41.8113 -41.8113 -41.7746 -41.7746 -18.6485 -18.6485 -18.5895 -18.5895 -18.0371 -18.0371 -17.9870 -17.9870 -17.9175 -17.9175 -17.7884 -17.7884 -5.4242 -5.4242 7.4015 7.4015 8.2721 8.2721 8.4564 8.4564 13.4758 13.4758 13.8872 13.8872 14.2695 14.2695 16.5531 16.5531 17.0847 17.0847 17.3373 17.3373 17.3828 17.3828 k = 0.2441 0.4228-0.0000 ( 2988 PWs) bands (ev): -41.8135 -41.8135 -41.7746 -41.7746 -18.6479 -18.6479 -18.5860 -18.5860 -18.0388 -18.0388 -17.9832 -17.9832 -17.9142 -17.9142 -17.7827 -17.7827 -5.4299 -5.4299 7.4018 7.4018 8.2868 8.2868 8.4669 8.4669 13.4591 13.4591 13.8711 13.8711 14.2830 14.2830 16.5426 16.5426 17.0559 17.0559 17.3311 17.3311 17.3858 17.3858 k = 0.2394 0.4147-0.0000 ( 2994 PWs) bands (ev): -41.8158 -41.8158 -41.7746 -41.7746 -18.6473 -18.6473 -18.5821 -18.5821 -18.0409 -18.0409 -17.9789 -17.9789 -17.9106 -17.9106 -17.7771 -17.7771 -5.4359 -5.4359 7.4043 7.4043 8.2968 8.2968 8.4813 8.4813 13.4416 13.4416 13.8556 13.8556 14.2979 14.2979 16.5316 16.5316 17.0246 17.0246 17.3246 17.3246 17.3898 17.3898 k = 0.2347 0.4066-0.0000 ( 2994 PWs) bands (ev): -41.8180 -41.8180 -41.7748 -41.7748 -18.6468 -18.6468 -18.5778 -18.5778 -18.0431 -18.0431 -17.9742 -17.9742 -17.9068 -17.9068 -17.7715 -17.7715 -5.4423 -5.4423 7.4090 7.4090 8.3024 8.3024 8.4994 8.4994 13.4230 13.4230 13.8408 13.8408 14.3143 14.3143 16.5201 16.5201 16.9915 16.9915 17.3178 17.3178 17.3943 17.3943 k = 0.2300 0.3985-0.0000 ( 2994 PWs) bands (ev): -41.8204 -41.8204 -41.7750 -41.7750 -18.6464 -18.6464 -18.5731 -18.5731 -18.0455 -18.0455 -17.9690 -17.9690 -17.9027 -17.9027 -17.7661 -17.7661 -5.4491 -5.4491 7.4158 7.4158 8.3042 8.3042 8.5204 8.5204 13.4035 13.4035 13.8270 13.8270 14.3321 14.3321 16.5078 16.5078 16.9572 16.9572 17.3104 17.3104 17.3989 17.3989 k = 0.2254 0.3903-0.0000 ( 3002 PWs) bands (ev): -41.8228 -41.8228 -41.7752 -41.7752 -18.6461 -18.6461 -18.5680 -18.5680 -18.0479 -18.0479 -17.9635 -17.9635 -17.8985 -17.8985 -17.7606 -17.7606 -5.4561 -5.4561 7.4247 7.4247 8.3030 8.3030 8.5434 8.5434 13.3830 13.3830 13.8142 13.8142 14.3514 14.3514 16.4946 16.4946 16.9220 16.9220 17.3025 17.3025 17.4032 17.4032 k = 0.2207 0.3822-0.0000 ( 3002 PWs) bands (ev): -41.8252 -41.8252 -41.7755 -41.7755 -18.6458 -18.6458 -18.5625 -18.5625 -18.0502 -18.0502 -17.9578 -17.9578 -17.8940 -17.8940 -17.7553 -17.7553 -5.4636 -5.4636 7.4359 7.4359 8.2995 8.2995 8.5679 8.5679 13.3615 13.3615 13.8027 13.8027 14.3722 14.3722 16.4804 16.4804 16.8863 16.8863 17.2939 17.2939 17.4070 17.4070 k = 0.2160 0.3741-0.0000 ( 3002 PWs) bands (ev): -41.8277 -41.8277 -41.7759 -41.7759 -18.6456 -18.6456 -18.5566 -18.5566 -18.0523 -18.0523 -17.9518 -17.9518 -17.8894 -17.8894 -17.7501 -17.7501 -5.4713 -5.4713 7.4492 7.4492 8.2941 8.2941 8.5931 8.5931 13.3389 13.3389 13.7927 13.7927 14.3945 14.3945 16.4652 16.4652 16.8503 16.8503 17.2846 17.2846 17.4102 17.4102 k = 0.2113 0.3659-0.0000 ( 3000 PWs) bands (ev): -41.8303 -41.8303 -41.7763 -41.7763 -18.6455 -18.6455 -18.5504 -18.5504 -18.0544 -18.0544 -17.9455 -17.9455 -17.8846 -17.8846 -17.7449 -17.7449 -5.4794 -5.4794 7.4646 7.4646 8.2872 8.2872 8.6188 8.6188 13.3152 13.3152 13.7841 13.7841 14.4183 14.4183 16.4489 16.4489 16.8140 16.8140 17.2744 17.2744 17.4125 17.4125 k = 0.2066 0.3578-0.0000 ( 2994 PWs) bands (ev): -41.8328 -41.8328 -41.7768 -41.7768 -18.6455 -18.6455 -18.5439 -18.5439 -18.0562 -18.0562 -17.9391 -17.9391 -17.8796 -17.8796 -17.7398 -17.7398 -5.4878 -5.4878 7.4822 7.4822 8.2790 8.2790 8.6447 8.6447 13.2904 13.2904 13.7773 13.7773 14.4434 14.4434 16.4316 16.4316 16.7777 16.7777 17.2634 17.2634 17.4137 17.4137 k = 0.2019 0.3497-0.0000 ( 2986 PWs) bands (ev): -41.8355 -41.8355 -41.7773 -41.7773 -18.6456 -18.6456 -18.5371 -18.5371 -18.0579 -18.0579 -17.9326 -17.9326 -17.8745 -17.8745 -17.7349 -17.7349 -5.4965 -5.4965 7.5020 7.5020 8.2697 8.2697 8.6705 8.6705 13.2644 13.2644 13.7723 13.7723 14.4700 14.4700 16.4133 16.4133 16.7414 16.7414 17.2515 17.2515 17.4137 17.4137 k = 0.1972 0.3415-0.0000 ( 2986 PWs) bands (ev): -41.8381 -41.8381 -41.7779 -41.7779 -18.6458 -18.6458 -18.5300 -18.5300 -18.0593 -18.0593 -17.9259 -17.9259 -17.8693 -17.8693 -17.7300 -17.7300 -5.5055 -5.5055 7.5238 7.5238 8.2593 8.2593 8.6961 8.6961 13.2372 13.2372 13.7692 13.7692 14.4980 14.4980 16.3940 16.3940 16.7053 16.7053 17.2387 17.2387 17.4120 17.4120 k = 0.1925 0.3334-0.0000 ( 2986 PWs) bands (ev): -41.8408 -41.8408 -41.7785 -41.7785 -18.6461 -18.6461 -18.5227 -18.5227 -18.0604 -18.0604 -17.9190 -17.9190 -17.8639 -17.8639 -17.7253 -17.7253 -5.5148 -5.5148 7.5478 7.5478 8.2479 8.2479 8.7214 8.7214 13.2087 13.2087 13.7681 13.7681 14.5274 14.5274 16.3738 16.3738 16.6692 16.6692 17.2250 17.2250 17.4083 17.4083 k = 0.1878 0.3253-0.0000 ( 2992 PWs) bands (ev): -41.8435 -41.8435 -41.7792 -41.7792 -18.6465 -18.6465 -18.5152 -18.5152 -18.0612 -18.0612 -17.9121 -17.9121 -17.8584 -17.8584 -17.7206 -17.7206 -5.5244 -5.5244 7.5739 7.5739 8.2356 8.2356 8.7464 8.7464 13.1790 13.1790 13.7692 13.7692 14.5582 14.5582 16.3529 16.3529 16.6334 16.6334 17.2104 17.2104 17.4018 17.4018 k = 0.1831 0.3171-0.0000 ( 2996 PWs) bands (ev): -41.8462 -41.8462 -41.7799 -41.7799 -18.6471 -18.6471 -18.5075 -18.5075 -18.0617 -18.0617 -17.9050 -17.9050 -17.8528 -17.8528 -17.7161 -17.7161 -5.5342 -5.5342 7.6020 7.6020 8.2225 8.2225 8.7709 8.7709 13.1478 13.1478 13.7725 13.7725 14.5902 14.5902 16.3314 16.3314 16.5978 16.5978 17.1949 17.1949 17.3917 17.3917 k = 0.1784 0.3090-0.0000 ( 2992 PWs) bands (ev): -41.8489 -41.8489 -41.7806 -41.7806 -18.6477 -18.6477 -18.4997 -18.4997 -18.0620 -18.0620 -17.8979 -17.8979 -17.8471 -17.8471 -17.7117 -17.7117 -5.5443 -5.5443 7.6322 7.6322 8.2084 8.2084 8.7949 8.7949 13.1153 13.1153 13.7780 13.7780 14.6235 14.6235 16.3094 16.3094 16.5624 16.5624 17.1785 17.1785 17.3771 17.3771 k = 0.1737 0.3009-0.0000 ( 2992 PWs) bands (ev): -41.8517 -41.8517 -41.7814 -41.7814 -18.6485 -18.6485 -18.4917 -18.4917 -18.0619 -18.0619 -17.8907 -17.8907 -17.8412 -17.8412 -17.7074 -17.7074 -5.5546 -5.5546 7.6643 7.6643 8.1935 8.1935 8.8184 8.8184 13.0814 13.0814 13.7859 13.7859 14.6581 14.6581 16.2872 16.2872 16.5273 16.5273 17.1614 17.1614 17.3565 17.3565 k = 0.1690 0.2927-0.0000 ( 2986 PWs) bands (ev): -41.8544 -41.8544 -41.7822 -41.7822 -18.6494 -18.6494 -18.4837 -18.4837 -18.0615 -18.0615 -17.8834 -17.8834 -17.8352 -17.8352 -17.7032 -17.7032 -5.5651 -5.5651 7.6984 7.6984 8.1779 8.1779 8.8414 8.8414 13.0461 13.0461 13.7961 13.7961 14.6939 14.6939 16.2649 16.2649 16.4925 16.4925 17.1435 17.1435 17.3288 17.3288 k = 0.1643 0.2846-0.0000 ( 2990 PWs) bands (ev): -41.8572 -41.8572 -41.7831 -41.7831 -18.6505 -18.6505 -18.4756 -18.4756 -18.0608 -18.0608 -17.8761 -17.8761 -17.8291 -17.8291 -17.6991 -17.6991 -5.5758 -5.5758 7.7343 7.7343 8.1614 8.1614 8.8637 8.8637 13.0093 13.0093 13.8087 13.8087 14.7308 14.7308 16.2427 16.2427 16.4579 16.4579 17.1249 17.1249 17.2933 17.2933 k = 0.1596 0.2765-0.0000 ( 2990 PWs) bands (ev): -41.8599 -41.8599 -41.7840 -41.7840 -18.6517 -18.6517 -18.4674 -18.4674 -18.0599 -18.0599 -17.8688 -17.8688 -17.8228 -17.8228 -17.6952 -17.6952 -5.5866 -5.5866 7.7721 7.7721 8.1441 8.1441 8.8854 8.8854 12.9711 12.9711 13.8237 13.8237 14.7689 14.7689 16.2209 16.2209 16.4237 16.4237 17.1055 17.1055 17.2499 17.2499 k = 0.1549 0.2683-0.0000 ( 2994 PWs) bands (ev): -41.8627 -41.8627 -41.7849 -41.7849 -18.6530 -18.6530 -18.4592 -18.4592 -18.0586 -18.0586 -17.8615 -17.8615 -17.8165 -17.8165 -17.6914 -17.6914 -5.5976 -5.5976 7.8117 7.8117 8.1262 8.1262 8.9065 8.9065 12.9314 12.9314 13.8411 13.8411 14.8080 14.8080 16.1996 16.1996 16.3897 16.3897 17.0854 17.0854 17.1997 17.1997 k = 0.1502 0.2602-0.0000 ( 2994 PWs) bands (ev): -41.8654 -41.8654 -41.7858 -41.7858 -18.6545 -18.6545 -18.4511 -18.4511 -18.0570 -18.0570 -17.8542 -17.8542 -17.8099 -17.8099 -17.6877 -17.6877 -5.6087 -5.6087 7.8530 7.8530 8.1076 8.1076 8.9270 8.9270 12.8903 12.8903 13.8609 13.8609 14.8481 14.8481 16.1792 16.1792 16.3561 16.3561 17.0642 17.0642 17.1445 17.1445 k = 0.1455 0.2521-0.0000 ( 2994 PWs) bands (ev): -41.8681 -41.8681 -41.7868 -41.7868 -18.6561 -18.6561 -18.4429 -18.4429 -18.0552 -18.0552 -17.8469 -17.8469 -17.8033 -17.8033 -17.6841 -17.6841 -5.6199 -5.6199 7.8960 7.8960 8.0883 8.0883 8.9468 8.9468 12.8478 12.8478 13.8831 13.8831 14.8892 14.8892 16.1597 16.1597 16.3227 16.3227 17.0409 17.0409 17.0870 17.0870 k = 0.1408 0.2440-0.0000 ( 2996 PWs) bands (ev): -41.8708 -41.8708 -41.7877 -41.7877 -18.6578 -18.6578 -18.4349 -18.4349 -18.0531 -18.0531 -17.8397 -17.8397 -17.7964 -17.7964 -17.6807 -17.6807 -5.6312 -5.6312 7.9405 7.9405 8.0686 8.0686 8.9658 8.9658 12.8039 12.8039 13.9077 13.9077 14.9310 14.9310 16.1413 16.1413 16.2898 16.2898 17.0078 17.0078 17.0364 17.0364 k = 0.1362 0.2358-0.0000 ( 2988 PWs) bands (ev): -41.8734 -41.8734 -41.7887 -41.7887 -18.6597 -18.6597 -18.4270 -18.4270 -18.0508 -18.0508 -17.8326 -17.8326 -17.7895 -17.7895 -17.6774 -17.6774 -5.6425 -5.6425 7.9864 7.9864 8.0484 8.0484 8.9843 8.9843 12.7588 12.7588 13.9345 13.9345 14.9736 14.9736 16.1244 16.1244 16.2572 16.2572 16.9527 16.9527 17.0059 17.0059 k = 0.1315 0.2277-0.0000 ( 2990 PWs) bands (ev): -41.8761 -41.8761 -41.7897 -41.7897 -18.6617 -18.6617 -18.4191 -18.4191 -18.0483 -18.0483 -17.8256 -17.8256 -17.7824 -17.7824 -17.6742 -17.6742 -5.6538 -5.6538 8.0245 8.0245 8.0370 8.0370 9.0019 9.0019 12.7124 12.7124 13.9637 13.9637 15.0168 15.0168 16.1089 16.1089 16.2251 16.2251 16.8908 16.8908 16.9812 16.9812 k = 0.1268 0.2196-0.0000 ( 2994 PWs) bands (ev): -41.8787 -41.8787 -41.7907 -41.7907 -18.6638 -18.6638 -18.4114 -18.4114 -18.0456 -18.0456 -17.8186 -17.8186 -17.7752 -17.7752 -17.6712 -17.6712 -5.6651 -5.6651 8.0056 8.0056 8.0835 8.0835 9.0189 9.0189 12.6648 12.6648 13.9951 13.9951 15.0605 15.0605 16.0951 16.0951 16.1936 16.1936 16.8282 16.8282 16.9569 16.9569 k = 0.1221 0.2114-0.0000 ( 2980 PWs) bands (ev): -41.8812 -41.8812 -41.7917 -41.7917 -18.6660 -18.6660 -18.4039 -18.4039 -18.0428 -18.0428 -17.8118 -17.8118 -17.7679 -17.7679 -17.6683 -17.6683 -5.6763 -5.6763 7.9843 7.9843 8.1333 8.1333 9.0352 9.0352 12.6162 12.6162 14.0287 14.0287 15.1045 15.1045 16.0830 16.0830 16.1627 16.1627 16.7662 16.7662 16.9321 16.9321 k = 0.1174 0.2033-0.0000 ( 2970 PWs) bands (ev): -41.8837 -41.8837 -41.7927 -41.7927 -18.6682 -18.6682 -18.3966 -18.3966 -18.0398 -18.0398 -17.8051 -17.8051 -17.7605 -17.7605 -17.6655 -17.6655 -5.6875 -5.6875 7.9627 7.9627 8.1844 8.1844 9.0507 9.0507 12.5666 12.5666 14.0644 14.0644 15.1486 15.1486 16.0727 16.0727 16.1328 16.1328 16.7054 16.7054 16.9066 16.9066 k = 0.1127 0.1952-0.0000 ( 2970 PWs) bands (ev): -41.8861 -41.8861 -41.7937 -41.7937 -18.6706 -18.6706 -18.3894 -18.3894 -18.0367 -18.0367 -17.7986 -17.7986 -17.7531 -17.7531 -17.6629 -17.6629 -5.6986 -5.6986 7.9408 7.9408 8.2365 8.2365 9.0655 9.0655 12.5162 12.5162 14.1022 14.1022 15.1926 15.1926 16.0641 16.0641 16.1042 16.1042 16.6461 16.6461 16.8802 16.8802 k = 0.1080 0.1870-0.0000 ( 2970 PWs) bands (ev): -41.8885 -41.8885 -41.7946 -41.7946 -18.6729 -18.6729 -18.3825 -18.3825 -18.0336 -18.0336 -17.7922 -17.7922 -17.7455 -17.7455 -17.6604 -17.6604 -5.7095 -5.7095 7.9189 7.9189 8.2895 8.2895 9.0796 9.0796 12.4651 12.4651 14.1420 14.1420 15.2361 15.2361 16.0560 16.0560 16.0783 16.0783 16.5887 16.5887 16.8529 16.8529 k = 0.1033 0.1789-0.0000 ( 2966 PWs) bands (ev): -41.8908 -41.8908 -41.7956 -41.7956 -18.6754 -18.6754 -18.3758 -18.3758 -18.0304 -18.0304 -17.7859 -17.7859 -17.7380 -17.7380 -17.6580 -17.6580 -5.7202 -5.7202 7.8971 7.8971 8.3431 8.3431 9.0929 9.0929 12.4133 12.4133 14.1837 14.1837 15.2788 15.2788 16.0420 16.0420 16.0620 16.0620 16.5335 16.5335 16.8244 16.8244 k = 0.0986 0.1708-0.0000 ( 2968 PWs) bands (ev): -41.8931 -41.8931 -41.7966 -41.7966 -18.6778 -18.6778 -18.3693 -18.3693 -18.0272 -18.0272 -17.7797 -17.7797 -17.7305 -17.7305 -17.6558 -17.6558 -5.7308 -5.7308 7.8753 7.8753 8.3974 8.3974 9.1056 9.1056 12.3612 12.3612 14.2273 14.2273 15.3202 15.3202 16.0203 16.0203 16.0575 16.0575 16.4804 16.4804 16.7946 16.7946 k = 0.0939 0.1626-0.0000 ( 2968 PWs) bands (ev): -41.8953 -41.8953 -41.7975 -41.7975 -18.6803 -18.6803 -18.3631 -18.3631 -18.0240 -18.0240 -17.7738 -17.7738 -17.7231 -17.7231 -17.6537 -17.6537 -5.7411 -5.7411 7.8538 7.8538 8.4520 8.4520 9.1174 9.1174 12.3087 12.3087 14.2728 14.2728 15.3597 15.3597 15.9988 15.9988 16.0574 16.0574 16.4298 16.4298 16.7633 16.7633 k = 0.0892 0.1545-0.0000 ( 2964 PWs) bands (ev): -41.8974 -41.8974 -41.7984 -41.7984 -18.6827 -18.6827 -18.3571 -18.3571 -18.0208 -18.0208 -17.7680 -17.7680 -17.7157 -17.7157 -17.6517 -17.6517 -5.7511 -5.7511 7.8327 7.8327 8.5068 8.5068 9.1286 9.1286 12.2562 12.2562 14.3199 14.3199 15.3966 15.3966 15.9798 15.9798 16.0600 16.0600 16.3819 16.3819 16.7304 16.7304 k = 0.0845 0.1464-0.0000 ( 2972 PWs) bands (ev): -41.8994 -41.8994 -41.7993 -41.7993 -18.6852 -18.6852 -18.3515 -18.3515 -18.0176 -18.0176 -17.7623 -17.7623 -17.7085 -17.7085 -17.6499 -17.6499 -5.7609 -5.7609 7.8119 7.8119 8.5617 8.5617 9.1391 9.1391 12.2037 12.2037 14.3687 14.3687 15.4300 15.4300 15.9644 15.9644 16.0650 16.0650 16.3367 16.3367 16.6957 16.6957 k = 0.0798 0.1382-0.0000 ( 2972 PWs) bands (ev): -41.9013 -41.9013 -41.8001 -41.8001 -18.6876 -18.6876 -18.3461 -18.3461 -18.0145 -18.0145 -17.7568 -17.7568 -17.7014 -17.7014 -17.6482 -17.6482 -5.7703 -5.7703 7.7916 7.7916 8.6163 8.6163 9.1489 9.1489 12.1515 12.1515 14.4190 14.4190 15.4588 15.4588 15.9537 15.9537 16.0722 16.0722 16.2945 16.2945 16.6588 16.6588 k = 0.0751 0.1301-0.0000 ( 2972 PWs) bands (ev): -41.9032 -41.9032 -41.8010 -41.8010 -18.6899 -18.6899 -18.3410 -18.3410 -18.0115 -18.0115 -17.7516 -17.7516 -17.6945 -17.6945 -17.6466 -17.6466 -5.7794 -5.7794 7.7719 7.7719 8.6706 8.6706 9.1579 9.1579 12.0998 12.0998 14.4707 14.4707 15.4820 15.4820 15.9482 15.9482 16.0816 16.0816 16.2556 16.2556 16.6198 16.6198 k = 0.0704 0.1220-0.0000 ( 2970 PWs) bands (ev): -41.9050 -41.9050 -41.8018 -41.8018 -18.6922 -18.6922 -18.3362 -18.3362 -18.0087 -18.0087 -17.7465 -17.7465 -17.6878 -17.6878 -17.6452 -17.6452 -5.7881 -5.7881 7.7529 7.7529 8.7242 8.7242 9.1664 9.1664 12.0488 12.0488 14.5238 14.5238 15.4989 15.4989 15.9483 15.9483 16.0929 16.0929 16.2206 16.2206 16.5782 16.5782 k = 0.0657 0.1138-0.0000 ( 2968 PWs) bands (ev): -41.9066 -41.9066 -41.8025 -41.8025 -18.6944 -18.6944 -18.3317 -18.3317 -18.0059 -18.0059 -17.7416 -17.7416 -17.6814 -17.6814 -17.6439 -17.6439 -5.7963 -5.7963 7.7347 7.7347 8.7768 8.7768 9.1741 9.1741 11.9988 11.9988 14.5781 14.5781 15.5092 15.5092 15.9536 15.9536 16.1062 16.1062 16.1902 16.1902 16.5341 16.5341 k = 0.0610 0.1057-0.0000 ( 2962 PWs) bands (ev): -41.9082 -41.9082 -41.8032 -41.8032 -18.6965 -18.6965 -18.3275 -18.3275 -18.0033 -18.0033 -17.7370 -17.7370 -17.6752 -17.6752 -17.6427 -17.6427 -5.8042 -5.8042 7.7174 7.7174 8.8282 8.8282 9.1813 9.1813 11.9500 11.9500 14.6335 14.6335 15.5134 15.5134 15.9623 15.9623 16.1208 16.1208 16.1661 16.1661 16.4874 16.4874 k = 0.0563 0.0976-0.0000 ( 2966 PWs) bands (ev): -41.9096 -41.9096 -41.8039 -41.8039 -18.6985 -18.6985 -18.3236 -18.3236 -18.0008 -18.0008 -17.7326 -17.7326 -17.6694 -17.6694 -17.6416 -17.6416 -5.8115 -5.8115 7.7010 7.7010 8.8781 8.8781 9.1878 9.1878 11.9027 11.9027 14.6898 14.6898 15.5124 15.5124 15.9711 15.9711 16.1348 16.1348 16.1527 16.1527 16.4383 16.4383 k = 0.0516 0.0894-0.0000 ( 2970 PWs) bands (ev): -41.9110 -41.9110 -41.8045 -41.8045 -18.7004 -18.7004 -18.3200 -18.3200 -17.9985 -17.9985 -17.7284 -17.7284 -17.6640 -17.6640 -17.6406 -17.6406 -5.8184 -5.8184 7.6856 7.6856 8.9261 8.9261 9.1937 9.1937 11.8572 11.8572 14.7469 14.7469 15.5073 15.5073 15.9760 15.9760 16.1395 16.1395 16.1612 16.1612 16.3869 16.3869 k = 0.0469 0.0813-0.0000 ( 2974 PWs) bands (ev): -41.9123 -41.9123 -41.8051 -41.8051 -18.7021 -18.7021 -18.3167 -18.3167 -17.9963 -17.9963 -17.7246 -17.7246 -17.6589 -17.6589 -17.6398 -17.6398 -5.8248 -5.8248 7.6712 7.6712 8.9719 8.9719 9.1991 9.1991 11.8139 11.8139 14.8043 14.8043 15.4995 15.4995 15.9741 15.9741 16.1479 16.1479 16.1798 16.1798 16.3339 16.3339 k = 0.0423 0.0732-0.0000 ( 2974 PWs) bands (ev): -41.9134 -41.9134 -41.8056 -41.8056 -18.7038 -18.7038 -18.3137 -18.3137 -17.9944 -17.9944 -17.7210 -17.7210 -17.6543 -17.6543 -17.6390 -17.6390 -5.8306 -5.8306 7.6581 7.6581 9.0150 9.0150 9.2039 9.2039 11.7730 11.7730 14.8620 14.8620 15.4901 15.4901 15.9662 15.9662 16.1660 16.1660 16.1993 16.1993 16.2812 16.2812 k = 0.0376 0.0651-0.0000 ( 2980 PWs) bands (ev): -41.9144 -41.9144 -41.8061 -41.8061 -18.7052 -18.7052 -18.3111 -18.3111 -17.9926 -17.9926 -17.7178 -17.7178 -17.6501 -17.6501 -17.6383 -17.6383 -5.8358 -5.8358 7.6461 7.6461 9.0550 9.0550 9.2082 9.2082 11.7351 11.7351 14.9193 14.9193 15.4799 15.4799 15.9549 15.9549 16.1895 16.1895 16.2054 16.2054 16.2443 16.2443 k = 0.0329 0.0569-0.0000 ( 2984 PWs) bands (ev): -41.9153 -41.9153 -41.8065 -41.8065 -18.7066 -18.7066 -18.3087 -18.3087 -17.9910 -17.9910 -17.7149 -17.7149 -17.6465 -17.6465 -17.6376 -17.6376 -5.8405 -5.8405 7.6355 7.6355 9.0917 9.0917 9.2120 9.2120 11.7003 11.7003 14.9759 14.9759 15.4696 15.4696 15.9424 15.9424 16.1584 16.1584 16.2217 16.2217 16.2575 16.2575 k = 0.0282 0.0488-0.0000 ( 2982 PWs) bands (ev): -41.9161 -41.9161 -41.8069 -41.8069 -18.7077 -18.7077 -18.3067 -18.3067 -17.9896 -17.9896 -17.7123 -17.7123 -17.6434 -17.6434 -17.6369 -17.6369 -5.8446 -5.8446 7.6261 7.6261 9.1243 9.1243 9.2154 9.2154 11.6692 11.6692 15.0309 15.0309 15.4597 15.4597 15.9303 15.9303 16.1054 16.1054 16.2528 16.2528 16.2824 16.2824 k = 0.0235 0.0407-0.0000 ( 2986 PWs) bands (ev): -41.9168 -41.9168 -41.8072 -41.8072 -18.7087 -18.7087 -18.3050 -18.3050 -17.9885 -17.9885 -17.7101 -17.7101 -17.6410 -17.6410 -17.6360 -17.6360 -5.8481 -5.8481 7.6181 7.6181 9.1526 9.1526 9.2185 9.2185 11.6421 11.6421 15.0834 15.0834 15.4508 15.4508 15.9191 15.9191 16.0533 16.0533 16.2852 16.2852 16.3099 16.3099 k = 0.0188 0.0325-0.0000 ( 2989 PWs) bands (ev): -41.9173 -41.9173 -41.8075 -41.8075 -18.7096 -18.7096 -18.3035 -18.3035 -17.9875 -17.9875 -17.7082 -17.7082 -17.6394 -17.6394 -17.6349 -17.6349 -5.8510 -5.8510 7.6115 7.6115 9.1759 9.1759 9.2214 9.2214 11.6193 11.6193 15.1318 15.1318 15.4431 15.4431 15.9091 15.9091 16.0052 16.0052 16.3177 16.3177 16.3390 16.3390 k = 0.0141 0.0244-0.0000 ( 2993 PWs) bands (ev): -41.9178 -41.9178 -41.8077 -41.8077 -18.7102 -18.7102 -18.3025 -18.3025 -17.9867 -17.9867 -17.7068 -17.7068 -17.6385 -17.6385 -17.6338 -17.6338 -5.8532 -5.8532 7.6064 7.6064 9.1936 9.1936 9.2246 9.2246 11.6012 11.6012 15.1741 15.1741 15.4369 15.4369 15.9002 15.9002 15.9637 15.9637 16.3500 16.3500 16.3695 16.3695 k = 0.0094 0.0163-0.0000 ( 2993 PWs) bands (ev): -41.9181 -41.9181 -41.8078 -41.8078 -18.7107 -18.7107 -18.3017 -18.3017 -17.9862 -17.9862 -17.7058 -17.7058 -17.6380 -17.6380 -17.6328 -17.6328 -5.8549 -5.8549 7.6027 7.6027 9.2050 9.2050 9.2282 9.2282 11.5881 11.5881 15.2078 15.2078 15.4324 15.4324 15.8915 15.8915 15.9328 15.9328 16.3821 16.3821 16.4007 16.4007 k = 0.0047 0.0081-0.0000 ( 2989 PWs) bands (ev): -41.9183 -41.9183 -41.8079 -41.8079 -18.7109 -18.7109 -18.3012 -18.3012 -17.9859 -17.9859 -17.7051 -17.7051 -17.6378 -17.6378 -17.6322 -17.6322 -5.8558 -5.8558 7.6004 7.6004 9.2107 9.2107 9.2317 9.2317 11.5801 11.5801 15.2298 15.2298 15.4296 15.4296 15.8827 15.8827 15.9159 15.9159 16.4138 16.4138 16.4318 16.4318 k = 0.0000 0.0000 0.0000 ( 2997 PWs) bands (ev): -41.9183 -41.9183 -41.8080 -41.8080 -18.7110 -18.7110 -18.3010 -18.3010 -17.9858 -17.9858 -17.7049 -17.7049 -17.6377 -17.6377 -17.6319 -17.6319 -5.8561 -5.8561 7.5997 7.5997 9.2123 9.2123 9.2331 9.2331 11.5774 11.5774 15.2375 15.2375 15.4286 15.4286 15.8786 15.8786 15.9112 15.9112 16.4393 16.4393 16.4548 16.4548 k = 0.0000 0.0000 0.0000 ( 2997 PWs) bands (ev): -41.9183 -41.9183 -41.8080 -41.8080 -18.7110 -18.7110 -18.3010 -18.3010 -17.9858 -17.9858 -17.7049 -17.7049 -17.6377 -17.6377 -17.6319 -17.6319 -5.8561 -5.8561 7.5997 7.5997 9.2123 9.2123 9.2331 9.2331 11.5774 11.5774 15.2375 15.2375 15.4286 15.4286 15.8786 15.8786 15.9112 15.9112 16.4393 16.4393 16.4548 16.4548 k = 0.0000 0.0000 0.0093 ( 2997 PWs) bands (ev): -41.9183 -41.9183 -41.8080 -41.8080 -18.7107 -18.7107 -18.3012 -18.3012 -17.9857 -17.9857 -17.7049 -17.7049 -17.6380 -17.6380 -17.6320 -17.6320 -5.8560 -5.8560 7.5987 7.5987 9.2122 9.2122 9.2330 9.2330 11.5801 11.5801 15.2263 15.2263 15.4398 15.4398 15.8777 15.8777 15.9104 15.9104 16.4278 16.4278 16.4323 16.4323 k = 0.0000 0.0000 0.0185 ( 2991 PWs) bands (ev): -41.9181 -41.9181 -41.8082 -41.8082 -18.7099 -18.7099 -18.3017 -18.3017 -17.9853 -17.9853 -17.7048 -17.7048 -17.6389 -17.6389 -17.6321 -17.6321 -5.8557 -5.8557 7.5957 7.5957 9.2118 9.2118 9.2326 9.2326 11.5883 11.5883 15.1981 15.1981 15.4679 15.4679 15.8751 15.8751 15.9080 15.9080 16.4097 16.4097 16.4128 16.4128 k = 0.0000 0.0000 0.0278 ( 2978 PWs) bands (ev): -41.9178 -41.9178 -41.8085 -41.8085 -18.7084 -18.7084 -18.3025 -18.3025 -17.9847 -17.9847 -17.7046 -17.7046 -17.6404 -17.6404 -17.6322 -17.6322 -5.8551 -5.8551 7.5907 7.5907 9.2112 9.2112 9.2320 9.2320 11.6018 11.6018 15.1611 15.1611 15.5048 15.5048 15.8706 15.8706 15.9039 15.9039 16.3934 16.3934 16.3968 16.3968 k = 0.0000 0.0000 0.0370 ( 2978 PWs) bands (ev): -41.9174 -41.9174 -41.8089 -41.8089 -18.7064 -18.7064 -18.3036 -18.3036 -17.9839 -17.9839 -17.7044 -17.7044 -17.6424 -17.6424 -17.6325 -17.6325 -5.8543 -5.8543 7.5839 7.5839 9.2103 9.2103 9.2311 9.2311 11.6206 11.6206 15.1199 15.1199 15.5457 15.5457 15.8641 15.8641 15.8978 15.8978 16.3806 16.3806 16.3849 16.3849 k = 0.0000 0.0000 0.0463 ( 2978 PWs) bands (ev): -41.9169 -41.9169 -41.8094 -41.8094 -18.7038 -18.7038 -18.3050 -18.3050 -17.9828 -17.9828 -17.7041 -17.7041 -17.6450 -17.6450 -17.6327 -17.6327 -5.8533 -5.8533 7.5753 7.5753 9.2091 9.2091 9.2299 9.2299 11.6446 11.6446 15.0765 15.0765 15.5885 15.5885 15.8556 15.8556 15.8895 15.8895 16.3721 16.3721 16.3774 16.3774 k = 0.0000 0.0000 0.0555 ( 2978 PWs) bands (ev): -41.9163 -41.9163 -41.8101 -41.8101 -18.7007 -18.7007 -18.3068 -18.3068 -17.9815 -17.9815 -17.7038 -17.7038 -17.6481 -17.6481 -17.6331 -17.6331 -5.8521 -5.8521 7.5650 7.5650 9.2078 9.2078 9.2285 9.2285 11.6737 11.6737 15.0320 15.0320 15.6323 15.6323 15.8448 15.8448 15.8791 15.8791 16.3684 16.3684 16.3745 16.3745 k = 0.0000 0.0000 0.0648 ( 2972 PWs) bands (ev): -41.9155 -41.9155 -41.8108 -41.8108 -18.6970 -18.6970 -18.3089 -18.3089 -17.9799 -17.9799 -17.7034 -17.7034 -17.6518 -17.6518 -17.6335 -17.6335 -5.8507 -5.8507 7.5531 7.5531 9.2062 9.2062 9.2269 9.2269 11.7076 11.7076 14.9868 14.9868 15.6766 15.6766 15.8320 15.8320 15.8663 15.8663 16.3697 16.3697 16.3765 16.3765 k = 0.0000 0.0000 0.0740 ( 2960 PWs) bands (ev): -41.9147 -41.9147 -41.8117 -41.8117 -18.6927 -18.6927 -18.3113 -18.3113 -17.9781 -17.9781 -17.7029 -17.7029 -17.6560 -17.6560 -17.6340 -17.6340 -5.8491 -5.8491 7.5399 7.5399 9.2045 9.2045 9.2252 9.2252 11.7462 11.7462 14.9412 14.9412 15.7208 15.7208 15.8173 15.8173 15.8515 15.8515 16.3760 16.3760 16.3833 16.3833 k = 0.0000 0.0000 0.0833 ( 2948 PWs) bands (ev): -41.9137 -41.9137 -41.8127 -41.8127 -18.6880 -18.6880 -18.3140 -18.3140 -17.9761 -17.9761 -17.7024 -17.7024 -17.6607 -17.6607 -17.6345 -17.6345 -5.8474 -5.8474 7.5254 7.5254 9.2025 9.2025 9.2232 9.2232 11.7894 11.7894 14.8952 14.8952 15.7649 15.7649 15.8007 15.8007 15.8348 15.8348 16.3872 16.3872 16.3948 16.3948 k = 0.0000 0.0000 0.0925 ( 2948 PWs) bands (ev): -41.9127 -41.9127 -41.8137 -41.8137 -18.6827 -18.6827 -18.3171 -18.3171 -17.9738 -17.9738 -17.7018 -17.7018 -17.6659 -17.6659 -17.6351 -17.6351 -5.8455 -5.8455 7.5099 7.5099 9.2004 9.2004 9.2210 9.2210 11.8368 11.8368 14.8490 14.8490 15.7828 15.7828 15.8079 15.8079 15.8173 15.8173 16.4031 16.4031 16.4108 16.4108 k = 0.0000 0.0000 0.1018 ( 2948 PWs) bands (ev): -41.9115 -41.9115 -41.8149 -41.8149 -18.6770 -18.6770 -18.3205 -18.3205 -17.9713 -17.9713 -17.7012 -17.7012 -17.6716 -17.6716 -17.6357 -17.6357 -5.8434 -5.8434 7.4935 7.4935 9.1981 9.1981 9.2187 9.2187 11.8883 11.8883 14.8027 14.8027 15.7637 15.7637 15.7969 15.7969 15.8520 15.8520 16.4234 16.4234 16.4312 16.4312 k = 0.0000 0.0000 0.1110 ( 2948 PWs) bands (ev): -41.9103 -41.9103 -41.8162 -41.8162 -18.6707 -18.6707 -18.3242 -18.3242 -17.9685 -17.9685 -17.7005 -17.7005 -17.6776 -17.6776 -17.6364 -17.6364 -5.8413 -5.8413 7.4763 7.4763 9.1957 9.1957 9.2163 9.2163 11.9436 11.9436 14.7561 14.7561 15.7438 15.7438 15.7766 15.7766 15.8945 15.8945 16.4478 16.4478 16.4555 16.4555 k = 0.0000 0.0000 0.1203 ( 2948 PWs) bands (ev): -41.9090 -41.9090 -41.8175 -41.8175 -18.6641 -18.6641 -18.3282 -18.3282 -17.9655 -17.9655 -17.6998 -17.6998 -17.6841 -17.6841 -17.6371 -17.6371 -5.8390 -5.8390 7.4587 7.4587 9.1933 9.1933 9.2138 9.2138 12.0024 12.0024 14.7092 14.7092 15.7235 15.7235 15.7558 15.7558 15.9363 15.9363 16.4760 16.4760 16.4835 16.4835 k = 0.0000 0.0000 0.1296 ( 2948 PWs) bands (ev): -41.9075 -41.9075 -41.8190 -41.8190 -18.6569 -18.6569 -18.3326 -18.3326 -17.9622 -17.9622 -17.6990 -17.6990 -17.6910 -17.6910 -17.6379 -17.6379 -5.8367 -5.8367 7.4407 7.4407 9.1907 9.1907 9.2112 9.2112 12.0646 12.0646 14.6620 14.6620 15.7029 15.7029 15.7348 15.7348 15.9773 15.9773 16.5077 16.5077 16.5149 16.5149 k = 0.0000 0.0000 0.1388 ( 2948 PWs) bands (ev): -41.9060 -41.9060 -41.8205 -41.8205 -18.6494 -18.6494 -18.3373 -18.3373 -17.9587 -17.9587 -17.6982 -17.6982 -17.6982 -17.6982 -17.6387 -17.6387 -5.8343 -5.8343 7.4226 7.4226 9.1881 9.1881 9.2085 9.2085 12.1298 12.1298 14.6145 14.6145 15.6824 15.6824 15.7138 15.7138 16.0173 16.0173 16.5426 16.5426 16.5494 16.5494 k = 0.0000 0.0000 0.1481 ( 2948 PWs) bands (ev): -41.9044 -41.9044 -41.8221 -41.8221 -18.6415 -18.6415 -18.3423 -18.3423 -17.9549 -17.9549 -17.7057 -17.7057 -17.6973 -17.6973 -17.6395 -17.6395 -5.8319 -5.8319 7.4044 7.4044 9.1854 9.1854 9.2058 9.2058 12.1978 12.1978 14.5665 14.5665 15.6621 15.6621 15.6931 15.6931 16.0562 16.0562 16.5804 16.5804 16.5869 16.5869 k = 0.0000 0.0000 0.1573 ( 2948 PWs) bands (ev): -41.9028 -41.9028 -41.8238 -41.8238 -18.6332 -18.6332 -18.3477 -18.3477 -17.9509 -17.9509 -17.7135 -17.7135 -17.6965 -17.6965 -17.6404 -17.6404 -5.8295 -5.8295 7.3864 7.3864 9.1828 9.1828 9.2031 9.2031 12.2682 12.2682 14.5180 14.5180 15.6423 15.6423 15.6728 15.6728 16.0940 16.0940 16.6208 16.6208 16.6270 16.6270 k = 0.0000 0.0000 0.1666 ( 2960 PWs) bands (ev): -41.9010 -41.9010 -41.8256 -41.8256 -18.6246 -18.6246 -18.3534 -18.3534 -17.9466 -17.9466 -17.7216 -17.7216 -17.6956 -17.6956 -17.6413 -17.6413 -5.8271 -5.8271 7.3687 7.3687 9.1801 9.1801 9.2005 9.2005 12.3409 12.3409 14.4687 14.4687 15.6231 15.6231 15.6532 15.6532 16.1305 16.1305 16.6638 16.6638 16.6694 16.6694 k = 0.0000 0.0000 0.1758 ( 2960 PWs) bands (ev): -41.8993 -41.8993 -41.8274 -41.8274 -18.6157 -18.6157 -18.3594 -18.3594 -17.9421 -17.9421 -17.7299 -17.7299 -17.6947 -17.6947 -17.6422 -17.6422 -5.8247 -5.8247 7.3515 7.3515 9.1775 9.1775 9.1978 9.1978 12.4155 12.4155 14.4187 14.4187 15.6046 15.6046 15.6344 15.6344 16.1657 16.1657 16.7089 16.7089 16.7140 16.7140 k = 0.0000 0.0000 0.1851 ( 2960 PWs) bands (ev): -41.8974 -41.8974 -41.8293 -41.8293 -18.6065 -18.6065 -18.3658 -18.3658 -17.9373 -17.9373 -17.7383 -17.7383 -17.6937 -17.6937 -17.6431 -17.6431 -5.8224 -5.8224 7.3349 7.3349 9.1750 9.1750 9.1953 9.1953 12.4918 12.4918 14.3679 14.3679 15.5870 15.5870 15.6165 15.6165 16.1994 16.1994 16.7561 16.7561 16.7604 16.7604 k = 0.0000 0.0000 0.1943 ( 2972 PWs) bands (ev): -41.8955 -41.8955 -41.8312 -41.8312 -18.5971 -18.5971 -18.3724 -18.3724 -17.9323 -17.9323 -17.7470 -17.7470 -17.6928 -17.6928 -17.6441 -17.6441 -5.8201 -5.8201 7.3190 7.3190 9.1726 9.1726 9.1928 9.1928 12.5695 12.5695 14.3160 14.3160 15.5703 15.5703 15.5995 15.5995 16.2316 16.2316 16.8049 16.8049 16.8083 16.8083 k = 0.0000 0.0000 0.2036 ( 2972 PWs) bands (ev): -41.8936 -41.8936 -41.8331 -41.8331 -18.5875 -18.5875 -18.3794 -18.3794 -17.9270 -17.9270 -17.7557 -17.7557 -17.6919 -17.6919 -17.6450 -17.6450 -5.8180 -5.8180 7.3040 7.3040 9.1702 9.1702 9.1904 9.1904 12.6481 12.6481 14.2630 14.2630 15.5548 15.5548 15.5837 15.5837 16.2621 16.2621 16.8550 16.8550 16.8573 16.8573 k = 0.0000 0.0000 0.2128 ( 2972 PWs) bands (ev): -41.8917 -41.8917 -41.8351 -41.8351 -18.5776 -18.5776 -18.3867 -18.3867 -17.9215 -17.9215 -17.7645 -17.7645 -17.6910 -17.6910 -17.6459 -17.6459 -5.8159 -5.8159 7.2899 7.2899 9.1680 9.1680 9.1882 9.1882 12.7275 12.7275 14.2088 14.2088 15.5403 15.5403 15.5690 15.5690 16.2909 16.2909 16.9061 16.9061 16.9068 16.9068 k = 0.0000 0.0000 0.2221 ( 2960 PWs) bands (ev): -41.8898 -41.8898 -41.8370 -41.8370 -18.5677 -18.5677 -18.3944 -18.3944 -17.9157 -17.9157 -17.7733 -17.7733 -17.6901 -17.6901 -17.6468 -17.6468 -5.8140 -5.8140 7.2768 7.2768 9.1660 9.1660 9.1861 9.1861 12.8073 12.8073 14.1533 14.1533 15.5271 15.5271 15.5555 15.5555 16.3177 16.3177 16.9562 16.9562 16.9577 16.9577 k = 0.0000 0.0000 0.2313 ( 2960 PWs) bands (ev): -41.8878 -41.8878 -41.8389 -41.8389 -18.5576 -18.5576 -18.4023 -18.4023 -17.9096 -17.9096 -17.7822 -17.7822 -17.6893 -17.6893 -17.6476 -17.6476 -5.8123 -5.8123 7.2649 7.2649 9.1641 9.1641 9.1842 9.1842 12.8871 12.8871 14.0965 14.0965 15.5151 15.5151 15.5434 15.5434 16.3425 16.3425 17.0043 17.0043 17.0088 17.0088 k = 0.0000 0.0000 0.2406 ( 2972 PWs) bands (ev): -41.8860 -41.8860 -41.8408 -41.8408 -18.5474 -18.5474 -18.4104 -18.4104 -17.9034 -17.9034 -17.7910 -17.7910 -17.6885 -17.6885 -17.6484 -17.6484 -5.8107 -5.8107 7.2542 7.2542 9.1624 9.1624 9.1824 9.1824 12.9664 12.9664 14.0385 14.0385 15.5044 15.5044 15.5325 15.5325 16.3651 16.3651 17.0494 17.0494 17.0583 17.0583 k = 0.0000 0.0000 0.2498 ( 2972 PWs) bands (ev): -41.8842 -41.8842 -41.8426 -41.8426 -18.5372 -18.5372 -18.4189 -18.4189 -17.8969 -17.8969 -17.7998 -17.7998 -17.6877 -17.6877 -17.6492 -17.6492 -5.8093 -5.8093 7.2448 7.2448 9.1609 9.1609 9.1809 9.1809 13.0448 13.0448 13.9793 13.9793 15.4950 15.4950 15.5230 15.5230 16.3852 16.3852 17.0893 17.0893 17.1041 17.1041 k = 0.0000 0.0000 0.2591 ( 2966 PWs) bands (ev): -41.8825 -41.8825 -41.8443 -41.8443 -18.5270 -18.5270 -18.4276 -18.4276 -17.8902 -17.8902 -17.8085 -17.8085 -17.6871 -17.6871 -17.6498 -17.6498 -5.8081 -5.8081 7.2368 7.2368 9.1596 9.1596 9.1796 9.1796 13.1217 13.1217 13.9194 13.9194 15.4871 15.4871 15.5150 15.5150 16.4028 16.4028 17.1217 17.1217 17.1430 17.1430 k = 0.0000 0.0000 0.2684 ( 2972 PWs) bands (ev): -41.8810 -41.8810 -41.8459 -41.8459 -18.5168 -18.5168 -18.4364 -18.4364 -17.8833 -17.8833 -17.8170 -17.8170 -17.6865 -17.6865 -17.6504 -17.6504 -5.8071 -5.8071 7.2301 7.2301 9.1585 9.1585 9.1785 9.1785 13.1959 13.1959 13.8594 13.8594 15.4805 15.4805 15.5083 15.5083 16.4176 16.4176 17.1459 17.1459 17.1721 17.1721 k = 0.0000 0.0000 0.2776 ( 2972 PWs) bands (ev): -41.8796 -41.8796 -41.8472 -41.8472 -18.5068 -18.5068 -18.4455 -18.4455 -17.8763 -17.8763 -17.8252 -17.8252 -17.6861 -17.6861 -17.6508 -17.6508 -5.8063 -5.8063 7.2249 7.2249 9.1576 9.1576 9.1776 9.1776 13.2658 13.2658 13.8009 13.8009 15.4754 15.4754 15.5031 15.5031 16.4294 16.4294 17.1626 17.1626 17.1913 17.1913 k = 0.0000 0.0000 0.2869 ( 2972 PWs) bands (ev): -41.8786 -41.8786 -41.8482 -41.8482 -18.4971 -18.4971 -18.4545 -18.4545 -17.8694 -17.8694 -17.8331 -17.8331 -17.6857 -17.6857 -17.6512 -17.6512 -5.8057 -5.8057 7.2211 7.2211 9.1570 9.1570 9.1770 9.1770 13.3281 13.3281 13.7469 13.7469 15.4717 15.4717 15.4994 15.4994 16.4379 16.4379 17.1734 17.1734 17.2030 17.2030 k = 0.0000 0.0000 0.2961 ( 2978 PWs) bands (ev): -41.8780 -41.8780 -41.8489 -41.8489 -18.4882 -18.4882 -18.4629 -18.4629 -17.8632 -17.8632 -17.8399 -17.8399 -17.6855 -17.6855 -17.6514 -17.6514 -5.8053 -5.8053 7.2189 7.2189 9.1567 9.1567 9.1766 9.1766 13.3752 13.3752 13.7048 13.7048 15.4695 15.4695 15.4972 15.4972 16.4432 16.4432 17.1795 17.1795 17.2093 17.2093 k = 0.0000 0.0000 0.3054 ( 2978 PWs) bands (ev): -41.8778 -41.8778 -41.8491 -41.8491 -18.4834 -18.4834 -18.4676 -18.4676 -17.8601 -17.8601 -17.8432 -17.8432 -17.6854 -17.6854 -17.6515 -17.6515 -5.8052 -5.8052 7.2181 7.2181 9.1565 9.1565 9.1765 9.1765 13.3940 13.3940 13.6877 13.6877 15.4688 15.4688 15.4964 15.4964 16.4449 16.4449 17.1815 17.1815 17.2113 17.2113 k = 0.0000 0.0000 0.3054 ( 2978 PWs) bands (ev): -41.8778 -41.8778 -41.8491 -41.8491 -18.4834 -18.4834 -18.4676 -18.4676 -17.8601 -17.8601 -17.8432 -17.8432 -17.6854 -17.6854 -17.6515 -17.6515 -5.8052 -5.8052 7.2181 7.2181 9.1565 9.1565 9.1765 9.1765 13.3940 13.3940 13.6877 13.6877 15.4688 15.4688 15.4964 15.4964 16.4449 16.4449 17.1815 17.1815 17.2113 17.2113 k = 0.0081 0.0047 0.3054 ( 2970 PWs) bands (ev): -41.8777 -41.8777 -41.8490 -41.8490 -18.4836 -18.4836 -18.4676 -18.4676 -17.8602 -17.8602 -17.8432 -17.8432 -17.6856 -17.6856 -17.6516 -17.6516 -5.8050 -5.8050 7.2192 7.2192 9.1556 9.1556 9.1756 9.1756 13.3928 13.3928 13.6889 13.6889 15.4680 15.4680 15.4959 15.4959 16.4463 16.4463 17.1789 17.1789 17.2087 17.2087 k = 0.0161 0.0093 0.3054 ( 2970 PWs) bands (ev): -41.8776 -41.8776 -41.8489 -41.8489 -18.4840 -18.4840 -18.4675 -18.4675 -17.8607 -17.8607 -17.8434 -17.8434 -17.6859 -17.6859 -17.6522 -17.6522 -5.8042 -5.8042 7.2222 7.2222 9.1524 9.1524 9.1732 9.1732 13.3894 13.3894 13.6927 13.6927 15.4645 15.4645 15.4955 15.4955 16.4504 16.4504 17.1710 17.1710 17.2018 17.2018 k = 0.0242 0.0140 0.3054 ( 2966 PWs) bands (ev): -41.8773 -41.8773 -41.8487 -41.8487 -18.4847 -18.4847 -18.4675 -18.4675 -17.8614 -17.8614 -17.8437 -17.8437 -17.6865 -17.6865 -17.6531 -17.6531 -5.8030 -5.8030 7.2273 7.2273 9.1462 9.1462 9.1703 9.1703 13.3837 13.3837 13.6988 13.6988 15.4557 15.4557 15.4979 15.4979 16.4571 16.4571 17.1579 17.1579 17.1923 17.1923 k = 0.0323 0.0186 0.3054 ( 2968 PWs) bands (ev): -41.8770 -41.8770 -41.8484 -41.8484 -18.4858 -18.4858 -18.4675 -18.4675 -17.8624 -17.8624 -17.8441 -17.8441 -17.6873 -17.6873 -17.6543 -17.6543 -5.8013 -5.8013 7.2345 7.2345 9.1361 9.1361 9.1675 9.1675 13.3758 13.3758 13.7074 13.7074 15.4412 15.4412 15.5039 15.5039 16.4660 16.4660 17.1405 17.1405 17.1814 17.1814 k = 0.0403 0.0233 0.3054 ( 2964 PWs) bands (ev): -41.8766 -41.8766 -41.8481 -41.8481 -18.4870 -18.4870 -18.4675 -18.4675 -17.8637 -17.8637 -17.8447 -17.8447 -17.6884 -17.6884 -17.6559 -17.6559 -5.7991 -5.7991 7.2436 7.2436 9.1223 9.1223 9.1649 9.1649 13.3660 13.3660 13.7183 13.7183 15.4217 15.4217 15.5130 15.5130 16.4769 16.4769 17.1198 17.1198 17.1695 17.1695 k = 0.0484 0.0279 0.3054 ( 2970 PWs) bands (ev): -41.8760 -41.8760 -41.8476 -41.8476 -18.4885 -18.4885 -18.4675 -18.4675 -17.8653 -17.8653 -17.8453 -17.8453 -17.6896 -17.6896 -17.6578 -17.6578 -5.7964 -5.7964 7.2546 7.2546 9.1048 9.1048 9.1625 9.1625 13.3543 13.3543 13.7314 13.7314 15.3980 15.3980 15.5248 15.5248 16.4892 16.4892 17.0967 17.0967 17.1569 17.1569 k = 0.0565 0.0326 0.3054 ( 2974 PWs) bands (ev): -41.8754 -41.8754 -41.8471 -41.8471 -18.4902 -18.4902 -18.4677 -18.4677 -17.8671 -17.8671 -17.8461 -17.8461 -17.6911 -17.6911 -17.6601 -17.6601 -5.7932 -5.7932 7.2676 7.2676 9.0840 9.0840 9.1599 9.1599 13.3410 13.3410 13.7468 13.7468 15.3707 15.3707 15.5390 15.5390 16.5027 16.5027 17.0718 17.0718 17.1438 17.1438 k = 0.0645 0.0372 0.3054 ( 2974 PWs) bands (ev): -41.8747 -41.8747 -41.8465 -41.8465 -18.4921 -18.4921 -18.4679 -18.4679 -17.8692 -17.8692 -17.8471 -17.8471 -17.6928 -17.6928 -17.6626 -17.6626 -5.7896 -5.7896 7.2824 7.2824 9.0601 9.0601 9.1572 9.1572 13.3262 13.3262 13.7643 13.7643 15.3404 15.3404 15.5555 15.5555 16.5168 16.5168 17.0456 17.0456 17.1303 17.1303 k = 0.0726 0.0419 0.3054 ( 2974 PWs) bands (ev): -41.8739 -41.8739 -41.8458 -41.8458 -18.4942 -18.4942 -18.4683 -18.4683 -17.8716 -17.8716 -17.8481 -17.8481 -17.6946 -17.6946 -17.6654 -17.6654 -5.7856 -5.7856 7.2990 7.2990 9.0332 9.0332 9.1543 9.1543 13.3102 13.3102 13.7838 13.7838 15.3074 15.3074 15.5742 15.5742 16.5309 16.5309 17.0183 17.0183 17.1169 17.1169 k = 0.0806 0.0466 0.3054 ( 2974 PWs) bands (ev): -41.8730 -41.8730 -41.8451 -41.8451 -18.4965 -18.4965 -18.4688 -18.4688 -17.8742 -17.8742 -17.8493 -17.8493 -17.6967 -17.6967 -17.6685 -17.6685 -5.7811 -5.7811 7.3173 7.3173 9.0035 9.0035 9.1512 9.1512 13.2932 13.2932 13.8051 13.8051 15.2722 15.2722 15.5950 15.5950 16.5446 16.5446 16.9903 16.9903 17.1036 17.1036 k = 0.0887 0.0512 0.3054 ( 2976 PWs) bands (ev): -41.8720 -41.8720 -41.8442 -41.8442 -18.4989 -18.4989 -18.4694 -18.4694 -17.8771 -17.8771 -17.8506 -17.8506 -17.6989 -17.6989 -17.6718 -17.6718 -5.7761 -5.7761 7.3373 7.3373 8.9711 8.9711 9.1477 9.1477 13.2754 13.2754 13.8282 13.8282 15.2350 15.2350 15.6179 15.6179 16.5571 16.5571 16.9622 16.9622 17.0906 17.0906 k = 0.0968 0.0559 0.3054 ( 2984 PWs) bands (ev): -41.8709 -41.8709 -41.8433 -41.8433 -18.5016 -18.5016 -18.4702 -18.4702 -17.8803 -17.8803 -17.8521 -17.8521 -17.7013 -17.7013 -17.6753 -17.6753 -5.7708 -5.7708 7.3589 7.3589 8.9361 8.9361 9.1440 9.1440 13.2571 13.2571 13.8530 13.8530 15.1963 15.1963 15.6427 15.6427 16.5677 16.5677 16.9346 16.9346 17.0782 17.0782 k = 0.1048 0.0605 0.3054 ( 2984 PWs) bands (ev): -41.8698 -41.8698 -41.8424 -41.8424 -18.5044 -18.5044 -18.4712 -18.4712 -17.8836 -17.8836 -17.8537 -17.8537 -17.7038 -17.7038 -17.6789 -17.6789 -5.7651 -5.7651 7.3819 7.3819 8.8988 8.8988 9.1400 9.1400 13.2386 13.2386 13.8792 13.8792 15.1563 15.1563 15.6694 15.6694 16.5754 16.5754 16.9081 16.9081 17.0663 17.0663 k = 0.1129 0.0652 0.3054 ( 2982 PWs) bands (ev): -41.8685 -41.8685 -41.8414 -41.8414 -18.5073 -18.5073 -18.4723 -18.4723 -17.8872 -17.8872 -17.8555 -17.8555 -17.7065 -17.7065 -17.6828 -17.6828 -5.7589 -5.7589 7.4063 7.4063 8.8593 8.8593 9.1357 9.1357 13.2200 13.2200 13.9068 13.9068 15.1153 15.1153 15.6980 15.6980 16.5792 16.5792 16.8837 16.8837 17.0552 17.0552 k = 0.1210 0.0698 0.3054 ( 2990 PWs) bands (ev): -41.8672 -41.8672 -41.8403 -41.8403 -18.5105 -18.5105 -18.4736 -18.4736 -17.8910 -17.8910 -17.8574 -17.8574 -17.7093 -17.7093 -17.6867 -17.6867 -5.7525 -5.7525 7.4320 7.4320 8.8177 8.8177 9.1312 9.1312 13.2017 13.2017 13.9355 13.9355 15.0735 15.0735 15.7283 15.7283 16.5779 16.5779 16.8625 16.8625 17.0449 17.0449 k = 0.1290 0.0745 0.3054 ( 2990 PWs) bands (ev): -41.8659 -41.8659 -41.8391 -41.8391 -18.5138 -18.5138 -18.4750 -18.4750 -17.8950 -17.8950 -17.8595 -17.8595 -17.7122 -17.7122 -17.6906 -17.6906 -5.7456 -5.7456 7.4588 7.4588 8.7742 8.7742 9.1263 9.1263 13.1839 13.1839 13.9651 13.9651 15.0312 15.0312 15.7602 15.7602 16.5706 16.5706 16.8453 16.8453 17.0355 17.0355 k = 0.1371 0.0792 0.3054 ( 2990 PWs) bands (ev): -41.8644 -41.8644 -41.8379 -41.8379 -18.5173 -18.5173 -18.4767 -18.4767 -17.8992 -17.8992 -17.8617 -17.8617 -17.7153 -17.7153 -17.6946 -17.6946 -5.7385 -5.7385 7.4867 7.4867 8.7289 8.7289 9.1212 9.1212 13.1668 13.1668 13.9956 13.9956 14.9886 14.9886 15.7936 15.7936 16.5566 16.5566 16.8325 16.8325 17.0270 17.0270 k = 0.1452 0.0838 0.3054 ( 2994 PWs) bands (ev): -41.8629 -41.8629 -41.8367 -41.8367 -18.5209 -18.5209 -18.4786 -18.4786 -17.9035 -17.9035 -17.8641 -17.8641 -17.7186 -17.7186 -17.6986 -17.6986 -5.7310 -5.7310 7.5155 7.5155 8.6821 8.6821 9.1158 9.1158 13.1506 13.1506 14.0266 14.0266 14.9459 14.9459 15.8284 15.8284 16.5363 16.5363 16.8238 16.8238 17.0195 17.0195 k = 0.1532 0.0885 0.3054 ( 2996 PWs) bands (ev): -41.8613 -41.8613 -41.8354 -41.8354 -18.5247 -18.5247 -18.4807 -18.4807 -17.9080 -17.9080 -17.8666 -17.8666 -17.7219 -17.7219 -17.7025 -17.7025 -5.7232 -5.7232 7.5451 7.5451 8.6339 8.6339 9.1102 9.1102 13.1356 13.1356 14.0579 14.0579 14.9034 14.9034 15.8644 15.8644 16.5105 16.5105 16.8186 16.8186 17.0130 17.0130 k = 0.1613 0.0931 0.3054 ( 2996 PWs) bands (ev): -41.8597 -41.8597 -41.8340 -41.8340 -18.5287 -18.5287 -18.4830 -18.4830 -17.9126 -17.9126 -17.8693 -17.8693 -17.7254 -17.7254 -17.7063 -17.7063 -5.7152 -5.7152 7.5753 7.5753 8.5844 8.5844 9.1043 9.1043 13.1219 13.1219 14.0892 14.0892 14.8613 14.8613 15.9016 15.9016 16.4803 16.4803 16.8160 16.8160 17.0076 17.0076 k = 0.1694 0.0978 0.3054 ( 2996 PWs) bands (ev): -41.8580 -41.8580 -41.8326 -41.8326 -18.5328 -18.5328 -18.4855 -18.4855 -17.9173 -17.9173 -17.8721 -17.8721 -17.7290 -17.7290 -17.7099 -17.7099 -5.7069 -5.7069 7.6060 7.6060 8.5339 8.5339 9.0981 9.0981 13.1098 13.1098 14.1203 14.1203 14.8199 14.8199 15.9396 15.9396 16.4466 16.4466 16.8152 16.8152 17.0033 17.0033 k = 0.1774 0.1024 0.3054 ( 2996 PWs) bands (ev): -41.8563 -41.8563 -41.8312 -41.8312 -18.5371 -18.5371 -18.4882 -18.4882 -17.9222 -17.9222 -17.8752 -17.8752 -17.7328 -17.7328 -17.7135 -17.7135 -5.6984 -5.6984 7.6371 7.6371 8.4824 8.4824 9.0918 9.0918 13.0995 13.0995 14.1507 14.1507 14.7796 14.7796 15.9782 15.9782 16.4102 16.4102 16.8159 16.8159 17.0004 17.0004 k = 0.1855 0.1071 0.3054 ( 2992 PWs) bands (ev): -41.8545 -41.8545 -41.8297 -41.8297 -18.5415 -18.5415 -18.4912 -18.4912 -17.9271 -17.9271 -17.8783 -17.8783 -17.7365 -17.7365 -17.7168 -17.7168 -5.6898 -5.6898 7.6685 7.6685 8.4302 8.4302 9.0852 9.0852 13.0910 13.0910 14.1800 14.1800 14.7406 14.7406 16.0174 16.0174 16.3718 16.3718 16.8178 16.8178 16.9988 16.9988 k = 0.1935 0.1117 0.3054 ( 2992 PWs) bands (ev): -41.8526 -41.8526 -41.8282 -41.8282 -18.5460 -18.5460 -18.4943 -18.4943 -17.9320 -17.9320 -17.8817 -17.8817 -17.7404 -17.7404 -17.7200 -17.7200 -5.6809 -5.6809 7.6998 7.6998 8.3775 8.3775 9.0785 9.0785 13.0846 13.0846 14.2076 14.2076 14.7036 14.7036 16.0566 16.0566 16.3318 16.3318 16.8210 16.8210 16.9987 16.9987 k = 0.2016 0.1164 0.3054 ( 2996 PWs) bands (ev): -41.8508 -41.8508 -41.8267 -41.8267 -18.5507 -18.5507 -18.4977 -18.4977 -17.9370 -17.9370 -17.8851 -17.8851 -17.7442 -17.7442 -17.7231 -17.7231 -5.6719 -5.6719 7.7310 7.7310 8.3244 8.3244 9.0715 9.0715 13.0804 13.0804 14.2327 14.2327 14.6692 14.6692 16.0957 16.0957 16.2907 16.2907 16.8256 16.8256 17.0004 17.0004 k = 0.2097 0.1211 0.3054 ( 2988 PWs) bands (ev): -41.8489 -41.8489 -41.8252 -41.8252 -18.5556 -18.5556 -18.5014 -18.5014 -17.9420 -17.9420 -17.8888 -17.8888 -17.7479 -17.7479 -17.7260 -17.7260 -5.6627 -5.6627 7.7619 7.7619 8.2711 8.2711 9.0644 9.0644 13.0784 13.0784 14.2543 14.2543 14.6385 14.6385 16.1342 16.1342 16.2487 16.2487 16.8318 16.8318 17.0039 17.0039 k = 0.2177 0.1257 0.3054 ( 2980 PWs) bands (ev): -41.8469 -41.8469 -41.8236 -41.8236 -18.5605 -18.5605 -18.5052 -18.5052 -17.9470 -17.9470 -17.8926 -17.8926 -17.7517 -17.7517 -17.7288 -17.7288 -5.6534 -5.6534 7.7922 7.7922 8.2180 8.2180 9.0571 9.0571 13.0789 13.0789 14.2710 14.2710 14.6126 14.6126 16.1707 16.1707 16.2070 16.2070 16.8398 16.8398 17.0095 17.0095 k = 0.2258 0.1304 0.3054 ( 2980 PWs) bands (ev): -41.8450 -41.8450 -41.8221 -41.8221 -18.5656 -18.5656 -18.5093 -18.5093 -17.9519 -17.9519 -17.8965 -17.8965 -17.7553 -17.7553 -17.7314 -17.7314 -5.6441 -5.6441 7.8216 7.8216 8.1653 8.1653 9.0497 9.0497 13.0819 13.0819 14.2812 14.2812 14.5932 14.5932 16.1599 16.1599 16.2108 16.2108 16.8498 16.8498 17.0176 17.0176 k = 0.2339 0.1350 0.3054 ( 2984 PWs) bands (ev): -41.8430 -41.8430 -41.8205 -41.8205 -18.5707 -18.5707 -18.5136 -18.5136 -17.9568 -17.9568 -17.9005 -17.9005 -17.7587 -17.7587 -17.7340 -17.7340 -5.6347 -5.6347 7.8494 7.8494 8.1138 8.1138 9.0422 9.0422 13.0874 13.0874 14.2836 14.2836 14.5814 14.5814 16.1166 16.1166 16.2449 16.2449 16.8619 16.8619 17.0283 17.0283 k = 0.2419 0.1397 0.3054 ( 2984 PWs) bands (ev): -41.8410 -41.8410 -41.8189 -41.8189 -18.5760 -18.5760 -18.5181 -18.5181 -17.9616 -17.9616 -17.9047 -17.9047 -17.7621 -17.7621 -17.7364 -17.7364 -5.6252 -5.6252 7.8742 7.8742 8.0648 8.0648 9.0345 9.0345 13.0955 13.0955 14.2777 14.2777 14.5777 14.5777 16.0722 16.0722 16.2777 16.2777 16.8765 16.8765 17.0419 17.0419 k = 0.2500 0.1443 0.3054 ( 2982 PWs) bands (ev): -41.8390 -41.8390 -41.8173 -41.8173 -18.5813 -18.5813 -18.5228 -18.5228 -17.9664 -17.9664 -17.9090 -17.9090 -17.7652 -17.7652 -17.7388 -17.7388 -5.6158 -5.6158 7.8922 7.8922 8.0223 8.0223 9.0268 9.0268 13.1062 13.1062 14.2644 14.2644 14.5812 14.5812 16.0274 16.0274 16.3081 16.3081 16.8936 16.8936 17.0587 17.0587 k = 0.2581 0.1490 0.3054 ( 2984 PWs) bands (ev): -41.8370 -41.8370 -41.8157 -41.8157 -18.5867 -18.5867 -18.5276 -18.5276 -17.9710 -17.9710 -17.9133 -17.9133 -17.7682 -17.7682 -17.7410 -17.7410 -5.6063 -5.6063 7.8917 7.8917 7.9978 7.9978 9.0191 9.0191 13.1196 13.1196 14.2454 14.2454 14.5901 14.5901 15.9824 15.9824 16.3358 16.3358 16.9134 16.9134 17.0790 17.0790 k = 0.2661 0.1536 0.3054 ( 2984 PWs) bands (ev): -41.8350 -41.8350 -41.8142 -41.8142 -18.5921 -18.5921 -18.5327 -18.5327 -17.9756 -17.9756 -17.9177 -17.9177 -17.7710 -17.7710 -17.7431 -17.7431 -5.5969 -5.5969 7.8638 7.8638 8.0004 8.0004 9.0113 9.0113 13.1355 13.1355 14.2225 14.2225 14.6025 14.6025 15.9373 15.9373 16.3606 16.3606 16.9359 16.9359 17.1027 17.1027 k = 0.2742 0.1583 0.3054 ( 2984 PWs) bands (ev): -41.8330 -41.8330 -41.8126 -41.8126 -18.5976 -18.5976 -18.5379 -18.5379 -17.9799 -17.9799 -17.9222 -17.9222 -17.7736 -17.7736 -17.7452 -17.7452 -5.5876 -5.5876 7.8215 7.8215 8.0171 8.0171 9.0035 9.0035 13.1540 13.1540 14.1974 14.1974 14.6169 14.6169 15.8921 15.8921 16.3822 16.3822 16.9613 16.9613 17.1299 17.1299 k = 0.2823 0.1630 0.3054 ( 2990 PWs) bands (ev): -41.8310 -41.8310 -41.8111 -41.8111 -18.6031 -18.6031 -18.5432 -18.5432 -17.9842 -17.9842 -17.9267 -17.9267 -17.7761 -17.7761 -17.7472 -17.7472 -5.5783 -5.5783 7.7748 7.7748 8.0379 8.0379 8.9957 8.9957 13.1750 13.1750 14.1710 14.1710 14.6322 14.6322 15.8470 15.8470 16.4006 16.4006 16.9896 16.9896 17.1604 17.1604 k = 0.2903 0.1676 0.3054 ( 2990 PWs) bands (ev): -41.8290 -41.8290 -41.8095 -41.8095 -18.6085 -18.6085 -18.5487 -18.5487 -17.9883 -17.9883 -17.9312 -17.9312 -17.7783 -17.7783 -17.7491 -17.7491 -5.5692 -5.5692 7.7270 7.7270 8.0596 8.0596 8.9879 8.9879 13.1982 13.1982 14.1443 14.1443 14.6478 14.6478 15.8020 15.8020 16.4160 16.4160 17.0208 17.0208 17.1941 17.1941 k = 0.2984 0.1723 0.3054 ( 2986 PWs) bands (ev): -41.8271 -41.8271 -41.8080 -41.8080 -18.6140 -18.6140 -18.5542 -18.5542 -17.9922 -17.9922 -17.9357 -17.9357 -17.7803 -17.7803 -17.7509 -17.7509 -5.5601 -5.5601 7.6794 7.6794 8.0810 8.0810 8.9802 8.9802 13.2238 13.2238 14.1177 14.1177 14.6630 14.6630 15.7573 15.7573 16.4286 16.4286 17.0547 17.0547 17.2305 17.2305 k = 0.3065 0.1769 0.3054 ( 2994 PWs) bands (ev): -41.8252 -41.8252 -41.8066 -41.8066 -18.6194 -18.6194 -18.5598 -18.5598 -17.9960 -17.9960 -17.9402 -17.9402 -17.7822 -17.7822 -17.7527 -17.7527 -5.5513 -5.5513 7.6324 7.6324 8.1017 8.1017 8.9726 8.9726 13.2513 13.2513 14.0916 14.0916 14.6777 14.6777 15.7128 15.7128 16.4385 16.4385 17.0915 17.0915 17.2693 17.2693 k = 0.3145 0.1816 0.3054 ( 2998 PWs) bands (ev): -41.8233 -41.8233 -41.8051 -41.8051 -18.6247 -18.6247 -18.5655 -18.5655 -17.9996 -17.9996 -17.9446 -17.9446 -17.7839 -17.7839 -17.7544 -17.7544 -5.5426 -5.5426 7.5863 7.5863 8.1214 8.1214 8.9650 8.9650 13.2808 13.2808 14.0663 14.0663 14.6916 14.6916 15.6687 15.6687 16.4461 16.4461 17.1309 17.1309 17.3101 17.3101 k = 0.3226 0.1862 0.3054 ( 2998 PWs) bands (ev): -41.8214 -41.8214 -41.8037 -41.8037 -18.6300 -18.6300 -18.5713 -18.5713 -18.0030 -18.0030 -17.9490 -17.9490 -17.7854 -17.7854 -17.7560 -17.7560 -5.5341 -5.5341 7.5414 7.5414 8.1401 8.1401 8.9576 8.9576 13.3119 13.3119 14.0420 14.0420 14.7046 14.7046 15.6250 15.6250 16.4516 16.4516 17.1729 17.1729 17.3522 17.3522 k = 0.3306 0.1909 0.3054 ( 2998 PWs) bands (ev): -41.8195 -41.8195 -41.8024 -41.8024 -18.6352 -18.6352 -18.5770 -18.5770 -18.0063 -18.0063 -17.9533 -17.9533 -17.7868 -17.7868 -17.7575 -17.7575 -5.5258 -5.5258 7.4977 7.4977 8.1576 8.1576 8.9504 8.9504 13.3443 13.3443 14.0191 14.0191 14.7167 14.7167 15.5820 15.5820 16.4554 16.4554 17.2173 17.2173 17.3954 17.3954 k = 0.3387 0.1956 0.3054 ( 2998 PWs) bands (ev): -41.8178 -41.8178 -41.8011 -41.8011 -18.6402 -18.6402 -18.5827 -18.5827 -18.0093 -18.0093 -17.9575 -17.9575 -17.7880 -17.7880 -17.7590 -17.7590 -5.5177 -5.5177 7.4555 7.4555 8.1741 8.1741 8.9433 8.9433 13.3778 13.3778 13.9976 13.9976 14.7278 14.7278 15.5396 15.5396 16.4578 16.4578 17.2638 17.2638 17.4391 17.4391 k = 0.3468 0.2002 0.3054 ( 3002 PWs) bands (ev): -41.8160 -41.8160 -41.7998 -41.7998 -18.6452 -18.6452 -18.5884 -18.5884 -18.0122 -18.0122 -17.9616 -17.9616 -17.7890 -17.7890 -17.7605 -17.7605 -5.5099 -5.5099 7.4147 7.4147 8.1893 8.1893 8.9364 8.9364 13.4120 13.4120 13.9777 13.9777 14.7379 14.7379 15.4980 15.4980 16.4589 16.4589 17.3125 17.3125 17.4830 17.4830 k = 0.3548 0.2049 0.3054 ( 3006 PWs) bands (ev): -41.8143 -41.8143 -41.7986 -41.7986 -18.6499 -18.6499 -18.5940 -18.5940 -18.0149 -18.0149 -17.9656 -17.9656 -17.7900 -17.7900 -17.7619 -17.7619 -5.5024 -5.5024 7.3755 7.3755 8.2035 8.2035 8.9297 8.9297 13.4464 13.4464 13.9598 13.9598 14.7471 14.7471 15.4573 15.4573 16.4590 16.4590 17.3629 17.3629 17.5266 17.5266 k = 0.3629 0.2095 0.3054 ( 3010 PWs) bands (ev): -41.8127 -41.8127 -41.7974 -41.7974 -18.6545 -18.6545 -18.5994 -18.5994 -18.0174 -18.0174 -17.9695 -17.9695 -17.7907 -17.7907 -17.7632 -17.7632 -5.4952 -5.4952 7.3381 7.3381 8.2165 8.2165 8.9232 8.9232 13.4806 13.4806 13.9442 13.9442 14.7551 14.7551 15.4177 15.4177 16.4583 16.4583 17.4148 17.4148 17.5695 17.5695 k = 0.3710 0.2142 0.3054 ( 3006 PWs) bands (ev): -41.8111 -41.8111 -41.7963 -41.7963 -18.6590 -18.6590 -18.6048 -18.6048 -18.0198 -18.0198 -17.9732 -17.9732 -17.7914 -17.7914 -17.7644 -17.7644 -5.4883 -5.4883 7.3023 7.3023 8.2284 8.2284 8.9170 8.9170 13.5139 13.5139 13.9312 13.9312 14.7622 14.7622 15.3793 15.3793 16.4570 16.4570 17.4681 17.4681 17.6114 17.6114 k = 0.3790 0.2188 0.3054 ( 3014 PWs) bands (ev): -41.8096 -41.8096 -41.7953 -41.7953 -18.6632 -18.6632 -18.6100 -18.6100 -18.0219 -18.0219 -17.9768 -17.9768 -17.7919 -17.7919 -17.7657 -17.7657 -5.4817 -5.4817 7.2685 7.2685 8.2393 8.2393 8.9111 8.9111 13.5455 13.5455 13.9214 13.9214 14.7681 14.7681 15.3423 15.3423 16.4552 16.4552 17.5223 17.5223 17.6520 17.6520 k = 0.3871 0.2235 0.3054 ( 3014 PWs) bands (ev): -41.8082 -41.8082 -41.7943 -41.7943 -18.6672 -18.6672 -18.6151 -18.6151 -18.0239 -18.0239 -17.9802 -17.9802 -17.7924 -17.7924 -17.7668 -17.7668 -5.4755 -5.4755 7.2365 7.2365 8.2491 8.2491 8.9055 8.9055 13.5746 13.5746 13.9153 13.9153 14.7728 14.7728 15.3069 15.3069 16.4530 16.4530 17.5773 17.5773 17.6910 17.6910 k = 0.3952 0.2281 0.3054 ( 3014 PWs) bands (ev): -41.8068 -41.8068 -41.7934 -41.7934 -18.6710 -18.6710 -18.6199 -18.6199 -18.0257 -18.0257 -17.9834 -17.9834 -17.7927 -17.7927 -17.7679 -17.7679 -5.4696 -5.4696 7.2064 7.2064 8.2580 8.2580 8.9001 8.9001 13.6003 13.6003 13.9137 13.9137 14.7763 14.7763 15.2733 15.2733 16.4506 16.4506 17.6325 17.6325 17.7283 17.7283 k = 0.4032 0.2328 0.3054 ( 3014 PWs) bands (ev): -41.8055 -41.8055 -41.7925 -41.7925 -18.6745 -18.6745 -18.6245 -18.6245 -18.0273 -18.0273 -17.9864 -17.9864 -17.7930 -17.7930 -17.7690 -17.7690 -5.4641 -5.4641 7.1784 7.1784 8.2660 8.2660 8.8951 8.8951 13.6217 13.6217 13.9171 13.9171 14.7783 14.7783 15.2418 15.2418 16.4481 16.4481 17.6878 17.6878 17.7635 17.7635 k = 0.4113 0.2375 0.3054 ( 3010 PWs) bands (ev): -41.8043 -41.8043 -41.7917 -41.7917 -18.6778 -18.6778 -18.6288 -18.6288 -18.0288 -18.0288 -17.9893 -17.9893 -17.7932 -17.7932 -17.7699 -17.7699 -5.4590 -5.4590 7.1524 7.1524 8.2732 8.2732 8.8904 8.8904 13.6382 13.6382 13.9257 13.9257 14.7788 14.7788 15.2127 15.2127 16.4455 16.4455 17.7425 17.7425 17.7966 17.7966 k = 0.4194 0.2421 0.3054 ( 3006 PWs) bands (ev): -41.8032 -41.8032 -41.7910 -41.7910 -18.6808 -18.6808 -18.6329 -18.6329 -18.0301 -18.0301 -17.9919 -17.9919 -17.7933 -17.7933 -17.7709 -17.7709 -5.4543 -5.4543 7.1285 7.1285 8.2795 8.2795 8.8861 8.8861 13.6498 13.6498 13.9392 13.9392 14.7777 14.7777 15.1863 15.1863 16.4430 16.4430 17.7958 17.7958 17.8281 17.8281 k = 0.4274 0.2468 0.3054 ( 2998 PWs) bands (ev): -41.8022 -41.8022 -41.7904 -41.7904 -18.6836 -18.6836 -18.6366 -18.6366 -18.0312 -18.0312 -17.9944 -17.9944 -17.7933 -17.7933 -17.7717 -17.7717 -5.4500 -5.4500 7.1068 7.1068 8.2851 8.2851 8.8822 8.8822 13.6572 13.6572 13.9566 13.9566 14.7749 14.7749 15.1627 15.1627 16.4405 16.4405 17.8435 17.8435 17.8613 17.8613 k = 0.4355 0.2514 0.3054 ( 2998 PWs) bands (ev): -41.8013 -41.8013 -41.7898 -41.7898 -18.6861 -18.6861 -18.6401 -18.6401 -18.0322 -18.0322 -17.9966 -17.9966 -17.7933 -17.7933 -17.7725 -17.7725 -5.4461 -5.4461 7.0873 7.0873 8.2899 8.2899 8.8786 8.8786 13.6613 13.6613 13.9768 13.9768 14.7704 14.7704 15.1421 15.1421 16.4381 16.4381 17.8754 17.8754 17.9061 17.9061 k = 0.4435 0.2561 0.3054 ( 2998 PWs) bands (ev): -41.8005 -41.8005 -41.7893 -41.7893 -18.6883 -18.6883 -18.6431 -18.6431 -18.0331 -18.0331 -17.9986 -17.9986 -17.7933 -17.7933 -17.7733 -17.7733 -5.4427 -5.4427 7.0700 7.0700 8.2941 8.2941 8.8755 8.8755 13.6630 13.6630 13.9982 13.9982 14.7644 14.7644 15.1246 15.1246 16.4359 16.4359 17.8990 17.8990 17.9542 17.9542 k = 0.4516 0.2607 0.3054 ( 2990 PWs) bands (ev): -41.7997 -41.7997 -41.7888 -41.7888 -18.6902 -18.6902 -18.6459 -18.6459 -18.0338 -18.0338 -18.0003 -18.0003 -17.7932 -17.7932 -17.7739 -17.7739 -5.4397 -5.4397 7.0549 7.0549 8.2976 8.2976 8.8727 8.8727 13.6632 13.6632 14.0196 14.0196 14.7573 14.7573 15.1102 15.1102 16.4340 16.4340 17.9189 17.9189 18.0006 18.0006 k = 0.4597 0.2654 0.3054 ( 2994 PWs) bands (ev): -41.7991 -41.7991 -41.7885 -41.7885 -18.6918 -18.6918 -18.6482 -18.6482 -18.0344 -18.0344 -18.0018 -18.0018 -17.7931 -17.7931 -17.7745 -17.7745 -5.4371 -5.4371 7.0421 7.0421 8.3005 8.3005 8.8703 8.8703 13.6625 13.6625 14.0399 14.0399 14.7495 14.7495 15.0987 15.0987 16.4323 16.4323 17.9357 17.9357 18.0438 18.0438 k = 0.4677 0.2701 0.3054 ( 2990 PWs) bands (ev): -41.7986 -41.7986 -41.7881 -41.7881 -18.6931 -18.6931 -18.6501 -18.6501 -18.0349 -18.0349 -18.0030 -18.0030 -17.7931 -17.7931 -17.7750 -17.7750 -5.4350 -5.4350 7.0316 7.0316 8.3029 8.3029 8.8684 8.8684 13.6614 13.6614 14.0581 14.0581 14.7418 14.7418 15.0898 15.0898 16.4308 16.4308 17.9494 17.9494 18.0830 18.0830 k = 0.4758 0.2747 0.3054 ( 2984 PWs) bands (ev): -41.7982 -41.7982 -41.7879 -41.7879 -18.6941 -18.6941 -18.6516 -18.6516 -18.0352 -18.0352 -18.0040 -18.0040 -17.7930 -17.7930 -17.7754 -17.7754 -5.4334 -5.4334 7.0234 7.0234 8.3047 8.3047 8.8669 8.8669 13.6603 13.6603 14.0732 14.0732 14.7348 14.7348 15.0833 15.0833 16.4297 16.4297 17.9601 17.9601 18.1170 18.1170 k = 0.4839 0.2794 0.3054 ( 2988 PWs) bands (ev): -41.7979 -41.7979 -41.7877 -41.7877 -18.6949 -18.6949 -18.6527 -18.6527 -18.0355 -18.0355 -18.0047 -18.0047 -17.7929 -17.7929 -17.7756 -17.7756 -5.4322 -5.4322 7.0176 7.0176 8.3060 8.3060 8.8658 8.8658 13.6594 13.6594 14.0846 14.0846 14.7291 14.7291 15.0789 15.0789 16.4289 16.4289 17.9677 17.9677 18.1443 18.1443 k = 0.4919 0.2840 0.3054 ( 2988 PWs) bands (ev): -41.7978 -41.7978 -41.7876 -41.7876 -18.6953 -18.6953 -18.6534 -18.6534 -18.0356 -18.0356 -18.0051 -18.0051 -17.7929 -17.7929 -17.7758 -17.7758 -5.4315 -5.4315 7.0141 7.0141 8.3067 8.3067 8.8651 8.8651 13.6588 13.6588 14.0917 14.0917 14.7255 14.7255 15.0763 15.0763 16.4284 16.4284 17.9723 17.9723 18.1625 18.1625 k = 0.5000 0.2887 0.3054 ( 2992 PWs) bands (ev): -41.7977 -41.7977 -41.7876 -41.7876 -18.6955 -18.6955 -18.6536 -18.6536 -18.0357 -18.0357 -18.0052 -18.0052 -17.7929 -17.7929 -17.7759 -17.7759 -5.4313 -5.4313 7.0129 7.0129 8.3070 8.3070 8.8649 8.8649 13.6586 13.6586 14.0941 14.0941 14.7242 14.7242 15.0755 15.0755 16.4282 16.4282 17.9738 17.9738 18.1690 18.1690 k = 0.5000 0.2887 0.3054 ( 2992 PWs) bands (ev): -41.7977 -41.7977 -41.7876 -41.7876 -18.6955 -18.6955 -18.6536 -18.6536 -18.0357 -18.0357 -18.0052 -18.0052 -17.7929 -17.7929 -17.7759 -17.7759 -5.4313 -5.4313 7.0129 7.0129 8.3070 8.3070 8.8649 8.8649 13.6586 13.6586 14.0941 14.0941 14.7242 14.7242 15.0755 15.0755 16.4282 16.4282 17.9738 17.9738 18.1690 18.1690 k = 0.4954 0.2967 0.3054 ( 2984 PWs) bands (ev): -41.7977 -41.7977 -41.7876 -41.7876 -18.6954 -18.6954 -18.6535 -18.6535 -18.0358 -18.0358 -18.0052 -18.0052 -17.7931 -17.7931 -17.7758 -17.7758 -5.4312 -5.4312 7.0135 7.0135 8.3072 8.3072 8.8631 8.8631 13.6604 13.6604 14.0941 14.0941 14.7259 14.7259 15.0734 15.0734 16.4312 16.4312 17.9710 17.9710 18.1533 18.1533 k = 0.4907 0.3047 0.3054 ( 2980 PWs) bands (ev): -41.7976 -41.7976 -41.7876 -41.7876 -18.6952 -18.6952 -18.6534 -18.6534 -18.0363 -18.0363 -18.0052 -18.0052 -17.7939 -17.7939 -17.7755 -17.7755 -5.4308 -5.4308 7.0154 7.0154 8.3078 8.3078 8.8577 8.8577 13.6658 13.6658 14.0940 14.0940 14.7311 14.7311 15.0672 15.0672 16.4401 16.4401 17.9628 17.9628 18.1247 18.1247 k = 0.4861 0.3127 0.3054 ( 2980 PWs) bands (ev): -41.7975 -41.7975 -41.7875 -41.7875 -18.6948 -18.6948 -18.6532 -18.6532 -18.0371 -18.0371 -18.0052 -18.0052 -17.7952 -17.7952 -17.7752 -17.7752 -5.4303 -5.4303 7.0185 7.0185 8.3088 8.3088 8.8487 8.8487 13.6749 13.6749 14.0938 14.0938 14.7396 14.7396 15.0573 15.0573 16.4546 16.4546 17.9493 17.9493 18.0931 18.0931 k = 0.4815 0.3208 0.3054 ( 2980 PWs) bands (ev): -41.7974 -41.7974 -41.7874 -41.7874 -18.6942 -18.6942 -18.6530 -18.6530 -18.0381 -18.0381 -18.0053 -18.0053 -17.7969 -17.7969 -17.7749 -17.7749 -5.4296 -5.4296 7.0229 7.0229 8.3102 8.3102 8.8362 8.8362 13.6874 13.6874 14.0936 14.0936 14.7515 14.7515 15.0438 15.0438 16.4744 16.4744 17.9307 17.9307 18.0602 18.0602 k = 0.4769 0.3288 0.3054 ( 2988 PWs) bands (ev): -41.7972 -41.7972 -41.7873 -41.7873 -18.6935 -18.6935 -18.6526 -18.6526 -18.0394 -18.0394 -18.0054 -18.0054 -17.7989 -17.7989 -17.7745 -17.7745 -5.4286 -5.4286 7.0284 7.0284 8.3119 8.3119 8.8203 8.8203 13.7034 13.7034 14.0933 14.0933 14.7666 14.7666 15.0273 15.0273 16.4990 16.4990 17.9075 17.9075 18.0265 18.0265 k = 0.4722 0.3368 0.3054 ( 2988 PWs) bands (ev): -41.7970 -41.7970 -41.7872 -41.7872 -18.6927 -18.6927 -18.6522 -18.6522 -18.0410 -18.0410 -18.0055 -18.0055 -17.8012 -17.8012 -17.7742 -17.7742 -5.4275 -5.4275 7.0352 7.0352 8.3140 8.3140 8.8011 8.8011 13.7226 13.7226 14.0929 14.0929 14.7850 14.7850 15.0081 15.0081 16.5277 16.5277 17.8799 17.8799 17.9923 17.9923 k = 0.4676 0.3448 0.3054 ( 3000 PWs) bands (ev): -41.7968 -41.7968 -41.7871 -41.7871 -18.6917 -18.6917 -18.6518 -18.6518 -18.0428 -18.0428 -18.0057 -18.0057 -17.8037 -17.8037 -17.7740 -17.7740 -5.4261 -5.4261 7.0432 7.0432 8.3164 8.3164 8.7788 8.7788 13.7450 13.7450 14.0925 14.0925 14.8065 14.8065 14.9870 14.9870 16.5599 16.5599 17.8485 17.8485 17.9577 17.9577 k = 0.4630 0.3528 0.3054 ( 3004 PWs) bands (ev): -41.7965 -41.7965 -41.7870 -41.7870 -18.6907 -18.6907 -18.6513 -18.6513 -18.0448 -18.0448 -18.0060 -18.0060 -17.8064 -17.8064 -17.7739 -17.7739 -5.4246 -5.4246 7.0524 7.0524 8.3192 8.3192 8.7536 8.7536 13.7704 13.7704 14.0921 14.0921 14.8310 14.8310 14.9643 14.9643 16.5950 16.5950 17.8135 17.8135 17.9229 17.9229 k = 0.4583 0.3608 0.3054 ( 3008 PWs) bands (ev): -41.7962 -41.7962 -41.7868 -41.7868 -18.6894 -18.6894 -18.6507 -18.6507 -18.0470 -18.0470 -18.0064 -18.0064 -17.8092 -17.8092 -17.7738 -17.7738 -5.4229 -5.4229 7.0627 7.0627 8.3222 8.3222 8.7256 8.7256 13.7986 13.7986 14.0915 14.0915 14.8583 14.8583 14.9406 14.9406 16.6323 16.6323 17.7756 17.7756 17.8883 17.8883 k = 0.4537 0.3689 0.3054 ( 3008 PWs) bands (ev): -41.7958 -41.7958 -41.7866 -41.7866 -18.6881 -18.6881 -18.6501 -18.6501 -18.0493 -18.0493 -18.0069 -18.0069 -17.8122 -17.8122 -17.7739 -17.7739 -5.4211 -5.4211 7.0741 7.0741 8.3256 8.3256 8.6951 8.6951 13.8294 13.8294 14.0910 14.0910 14.8875 14.8875 14.9171 14.9171 16.6711 16.6711 17.7349 17.7349 17.8540 17.8540 k = 0.4491 0.3769 0.3054 ( 3010 PWs) bands (ev): -41.7955 -41.7955 -41.7864 -41.7864 -18.6867 -18.6867 -18.6494 -18.6494 -18.0519 -18.0519 -18.0075 -18.0075 -17.8152 -17.8152 -17.7740 -17.7740 -5.4191 -5.4191 7.0867 7.0867 8.3291 8.3291 8.6622 8.6622 13.8625 13.8625 14.0904 14.0904 14.8893 14.8893 14.9234 14.9234 16.7106 16.7106 17.6920 17.6920 17.8204 17.8204 k = 0.4444 0.3849 0.3054 ( 3006 PWs) bands (ev): -41.7951 -41.7951 -41.7862 -41.7862 -18.6851 -18.6851 -18.6487 -18.6487 -18.0546 -18.0546 -18.0083 -18.0083 -17.8183 -17.8183 -17.7742 -17.7742 -5.4170 -5.4170 7.1003 7.1003 8.3328 8.3328 8.6273 8.6273 13.8977 13.8977 14.0897 14.0897 14.8654 14.8654 14.9582 14.9582 16.7500 16.7500 17.6472 17.6472 17.7879 17.7879 k = 0.4398 0.3929 0.3054 ( 3010 PWs) bands (ev): -41.7947 -41.7947 -41.7860 -41.7860 -18.6835 -18.6835 -18.6480 -18.6480 -18.0574 -18.0574 -18.0093 -18.0093 -17.8214 -17.8214 -17.7745 -17.7745 -5.4147 -5.4147 7.1150 7.1150 8.3367 8.3367 8.5904 8.5904 13.9347 13.9347 14.0891 14.0891 14.8412 14.8412 14.9962 14.9962 16.7886 16.7886 17.6009 17.6009 17.7571 17.7571 k = 0.4352 0.4009 0.3054 ( 3002 PWs) bands (ev): -41.7942 -41.7942 -41.7858 -41.7858 -18.6818 -18.6818 -18.6473 -18.6473 -18.0603 -18.0603 -18.0104 -18.0104 -17.8245 -17.8245 -17.7749 -17.7749 -5.4124 -5.4124 7.1307 7.1307 8.3407 8.3407 8.5519 8.5519 13.9732 13.9732 14.0884 14.0884 14.8176 14.8176 15.0367 15.0367 16.8253 16.8253 17.5534 17.5534 17.7285 17.7285 k = 0.4306 0.4090 0.3054 ( 3002 PWs) bands (ev): -41.7937 -41.7937 -41.7855 -41.7855 -18.6800 -18.6800 -18.6466 -18.6466 -18.0633 -18.0633 -18.0116 -18.0116 -17.8275 -17.8275 -17.7753 -17.7753 -5.4100 -5.4100 7.1473 7.1473 8.3448 8.3448 8.5119 8.5119 14.0128 14.0128 14.0877 14.0877 14.7947 14.7947 15.0796 15.0796 16.8591 16.8591 17.5051 17.5051 17.7030 17.7030 k = 0.4259 0.4170 0.3054 ( 3002 PWs) bands (ev): -41.7932 -41.7932 -41.7853 -41.7853 -18.6782 -18.6782 -18.6459 -18.6459 -18.0664 -18.0664 -18.0130 -18.0130 -17.8305 -17.8305 -17.7757 -17.7757 -5.4074 -5.4074 7.1650 7.1650 8.3489 8.3489 8.4707 8.4707 14.0532 14.0532 14.0871 14.0871 14.7729 14.7729 15.1249 15.1249 16.8889 16.8889 17.4561 17.4561 17.6815 17.6815 k = 0.4213 0.4250 0.3054 ( 3002 PWs) bands (ev): -41.7927 -41.7927 -41.7851 -41.7851 -18.6764 -18.6764 -18.6452 -18.6452 -18.0695 -18.0695 -18.0146 -18.0146 -17.8334 -17.8334 -17.7762 -17.7762 -5.4049 -5.4049 7.1835 7.1835 8.3528 8.3528 8.4288 8.4288 14.0857 14.0857 14.0948 14.0948 14.7522 14.7522 15.1725 15.1725 16.9134 16.9134 17.4068 17.4068 17.6650 17.6650 k = 0.4167 0.4330 0.3054 ( 3014 PWs) bands (ev): -41.7922 -41.7922 -41.7848 -41.7848 -18.6745 -18.6745 -18.6445 -18.6445 -18.0726 -18.0726 -18.0163 -18.0163 -17.8362 -17.8362 -17.7768 -17.7768 -5.4023 -5.4023 7.2029 7.2029 8.3557 8.3557 8.3870 8.3870 14.0854 14.0854 14.1354 14.1354 14.7329 14.7329 15.2223 15.2223 16.9314 16.9314 17.3573 17.3573 17.6545 17.6545 k = 0.4120 0.4410 0.3054 ( 3010 PWs) bands (ev): -41.7917 -41.7917 -41.7846 -41.7846 -18.6726 -18.6726 -18.6438 -18.6438 -18.0758 -18.0758 -18.0181 -18.0181 -17.8388 -17.8388 -17.7773 -17.7773 -5.3997 -5.3997 7.2232 7.2232 8.3384 8.3384 8.3648 8.3648 14.0848 14.0848 14.1762 14.1762 14.7149 14.7149 15.2745 15.2745 16.9419 16.9419 17.3079 17.3079 17.6508 17.6508 k = 0.4074 0.4491 0.3054 ( 3006 PWs) bands (ev): -41.7912 -41.7912 -41.7844 -41.7844 -18.6707 -18.6707 -18.6432 -18.6432 -18.0789 -18.0789 -18.0201 -18.0201 -17.8413 -17.8413 -17.7779 -17.7779 -5.3971 -5.3971 7.2443 7.2443 8.2960 8.2960 8.3672 8.3672 14.0841 14.0841 14.2162 14.2162 14.6983 14.6983 15.3289 15.3289 16.9445 16.9445 17.2586 17.2586 17.6542 17.6542 k = 0.4028 0.4571 0.3054 ( 3006 PWs) bands (ev): -41.7906 -41.7906 -41.7842 -41.7842 -18.6689 -18.6689 -18.6427 -18.6427 -18.0821 -18.0821 -18.0221 -18.0221 -17.8437 -17.8437 -17.7784 -17.7784 -5.3945 -5.3945 7.2661 7.2661 8.2520 8.2520 8.3708 8.3708 14.0836 14.0836 14.2553 14.2553 14.6832 14.6832 15.3857 15.3857 16.9390 16.9390 17.2097 17.2097 17.6647 17.6647 k = 0.3981 0.4651 0.3054 ( 3010 PWs) bands (ev): -41.7901 -41.7901 -41.7840 -41.7840 -18.6671 -18.6671 -18.6422 -18.6422 -18.0851 -18.0851 -18.0242 -18.0242 -17.8458 -17.8458 -17.7789 -17.7789 -5.3919 -5.3919 7.2887 7.2887 8.2078 8.2078 8.3745 8.3745 14.0830 14.0830 14.2930 14.2930 14.6695 14.6695 15.4448 15.4448 16.9261 16.9261 17.1611 17.1611 17.6816 17.6816 k = 0.3935 0.4731 0.3054 ( 3014 PWs) bands (ev): -41.7895 -41.7895 -41.7838 -41.7838 -18.6653 -18.6653 -18.6418 -18.6418 -18.0881 -18.0881 -18.0264 -18.0264 -17.8478 -17.8478 -17.7795 -17.7795 -5.3894 -5.3894 7.3120 7.3120 8.1636 8.1636 8.3782 8.3782 14.0826 14.0826 14.3289 14.3289 14.6573 14.6573 15.5063 15.5063 16.9066 16.9066 17.1131 17.1131 17.7039 17.7039 k = 0.3889 0.4811 0.3054 ( 3016 PWs) bands (ev): -41.7890 -41.7890 -41.7836 -41.7836 -18.6635 -18.6635 -18.6415 -18.6415 -18.0909 -18.0909 -18.0286 -18.0286 -17.8496 -17.8496 -17.7800 -17.7800 -5.3870 -5.3870 7.3359 7.3359 8.1196 8.1196 8.3817 8.3817 14.0822 14.0822 14.3628 14.3628 14.6464 14.6464 15.5702 15.5702 16.8816 16.8816 17.0656 17.0656 17.7304 17.7304 k = 0.3843 0.4891 0.3054 ( 3016 PWs) bands (ev): -41.7884 -41.7884 -41.7835 -41.7835 -18.6619 -18.6619 -18.6412 -18.6412 -18.0937 -18.0937 -18.0308 -18.0308 -17.8512 -17.8512 -17.7805 -17.7805 -5.3847 -5.3847 7.3605 7.3605 8.0762 8.0762 8.3849 8.3849 14.0820 14.0820 14.3945 14.3945 14.6368 14.6368 15.6363 15.6363 16.8522 16.8522 17.0186 17.0186 17.7600 17.7600 k = 0.3796 0.4972 0.3054 ( 3020 PWs) bands (ev): -41.7879 -41.7879 -41.7833 -41.7833 -18.6603 -18.6603 -18.6410 -18.6410 -18.0962 -18.0962 -18.0329 -18.0329 -17.8527 -17.8527 -17.7809 -17.7809 -5.3825 -5.3825 7.3857 7.3857 8.0333 8.0333 8.3880 8.3880 14.0819 14.0819 14.4237 14.4237 14.6284 14.6284 15.7048 15.7048 16.8192 16.8192 16.9723 16.9723 17.7916 17.7916 k = 0.3750 0.5052 0.3054 ( 3020 PWs) bands (ev): -41.7874 -41.7874 -41.7832 -41.7832 -18.6587 -18.6587 -18.6410 -18.6410 -18.0986 -18.0986 -18.0350 -18.0350 -17.8539 -17.8539 -17.7813 -17.7813 -5.3804 -5.3804 7.4115 7.4115 7.9911 7.9911 8.3908 8.3908 14.0819 14.0819 14.4504 14.4504 14.6210 14.6210 15.7753 15.7753 16.7836 16.7836 16.9266 16.9266 17.8244 17.8244 k = 0.3704 0.5132 0.3054 ( 3024 PWs) bands (ev): -41.7869 -41.7869 -41.7831 -41.7831 -18.6573 -18.6573 -18.6410 -18.6410 -18.1009 -18.1009 -18.0370 -18.0370 -17.8550 -17.8550 -17.7817 -17.7817 -5.3785 -5.3785 7.4377 7.4377 7.9498 7.9498 8.3933 8.3933 14.0820 14.0820 14.4744 14.4744 14.6147 14.6147 15.8478 15.8478 16.7460 16.7460 16.8817 16.8817 17.8577 17.8577 k = 0.3657 0.5212 0.3054 ( 3016 PWs) bands (ev): -41.7864 -41.7864 -41.7831 -41.7831 -18.6560 -18.6560 -18.6411 -18.6411 -18.1028 -18.1028 -18.0388 -18.0388 -17.8559 -17.8559 -17.7820 -17.7820 -5.3767 -5.3767 7.4645 7.4645 7.9095 7.9095 8.3956 8.3956 14.0822 14.0822 14.4957 14.4957 14.6091 14.6091 15.9221 15.9221 16.7070 16.7070 16.8374 16.8374 17.8908 17.8908 k = 0.3611 0.5292 0.3054 ( 3016 PWs) bands (ev): -41.7859 -41.7859 -41.7831 -41.7831 -18.6548 -18.6548 -18.6413 -18.6413 -18.1046 -18.1046 -18.0404 -18.0404 -17.8567 -17.8567 -17.7823 -17.7823 -5.3752 -5.3752 7.4918 7.4918 7.8703 7.8703 8.3976 8.3976 14.0826 14.0826 14.5144 14.5144 14.6041 14.6041 15.9977 15.9977 16.6670 16.6670 16.7940 16.7940 17.9234 17.9234 k = 0.3565 0.5373 0.3054 ( 3014 PWs) bands (ev): -41.7855 -41.7855 -41.7831 -41.7831 -18.6537 -18.6537 -18.6416 -18.6416 -18.1061 -18.1061 -18.0419 -18.0419 -17.8573 -17.8573 -17.7826 -17.7826 -5.3738 -5.3738 7.5195 7.5195 7.8323 7.8323 8.3993 8.3993 14.0830 14.0830 14.5305 14.5305 14.5997 14.5997 16.0744 16.0744 16.6264 16.6264 16.7515 16.7515 17.9549 17.9549 k = 0.3519 0.5453 0.3054 ( 3014 PWs) bands (ev): -41.7851 -41.7851 -41.7831 -41.7831 -18.6528 -18.6528 -18.6419 -18.6419 -18.1074 -18.1074 -18.0431 -18.0431 -17.8578 -17.8578 -17.7828 -17.7828 -5.3727 -5.3727 7.5476 7.5476 7.7957 7.7957 8.4006 8.4006 14.0835 14.0835 14.5441 14.5441 14.5956 14.5956 16.1516 16.1516 16.5857 16.5857 16.7101 16.7101 17.9851 17.9851 k = 0.3472 0.5533 0.3054 ( 3014 PWs) bands (ev): -41.7847 -41.7847 -41.7832 -41.7832 -18.6520 -18.6520 -18.6422 -18.6422 -18.1084 -18.1084 -18.0441 -18.0441 -17.8582 -17.8582 -17.7830 -17.7830 -5.3717 -5.3717 7.5762 7.5762 7.7604 7.7604 8.4017 8.4017 14.0840 14.0840 14.5554 14.5554 14.5917 14.5917 16.2284 16.2284 16.5450 16.5450 16.6705 16.6705 18.0137 18.0137 k = 0.3426 0.5613 0.3054 ( 3010 PWs) bands (ev): -41.7844 -41.7844 -41.7834 -41.7834 -18.6514 -18.6514 -18.6425 -18.6425 -18.1091 -18.1091 -18.0448 -18.0448 -17.8585 -17.8585 -17.7831 -17.7831 -5.3711 -5.3711 7.6050 7.6050 7.7267 7.7267 8.4025 8.4025 14.0845 14.0845 14.5645 14.5645 14.5879 14.5879 16.3032 16.3032 16.5048 16.5048 16.6335 16.6335 18.0405 18.0406 k = 0.3380 0.5693 0.3054 ( 3010 PWs) bands (ev): -41.7840 -41.7840 -41.7835 -41.7835 -18.6510 -18.6510 -18.6427 -18.6427 -18.1095 -18.1095 -18.0453 -18.0453 -17.8586 -17.8586 -17.7832 -17.7832 -5.3707 -5.3707 7.6342 7.6342 7.6945 7.6945 8.4029 8.4029 14.0848 14.0848 14.5712 14.5712 14.5843 14.5843 16.3726 16.3726 16.4654 16.4654 16.6025 16.6025 18.0652 18.0652 k = 0.3333 0.5774 0.3054 ( 3006 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6509 -18.6509 -18.6428 -18.6428 -18.1097 -18.1097 -18.0454 -18.0454 -17.8587 -17.8587 -17.7832 -17.7832 -5.3705 -5.3705 7.6609 7.6609 7.6668 7.6668 8.4031 8.4031 14.0849 14.0849 14.5742 14.5742 14.5822 14.5822 16.4209 16.4209 16.4319 16.4319 16.5874 16.5874 18.0846 18.0847 k = 0.3333 0.5774 0.3054 ( 3006 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6509 -18.6509 -18.6428 -18.6428 -18.1097 -18.1097 -18.0454 -18.0454 -17.8587 -17.8587 -17.7832 -17.7832 -5.3705 -5.3705 7.6609 7.6609 7.6668 7.6668 8.4031 8.4031 14.0849 14.0849 14.5742 14.5742 14.5822 14.5822 16.4209 16.4209 16.4319 16.4319 16.5874 16.5874 18.0846 18.0861 k = 0.3286 0.5692 0.3054 ( 3010 PWs) bands (ev): -41.7841 -41.7841 -41.7835 -41.7835 -18.6510 -18.6510 -18.6427 -18.6427 -18.1095 -18.1095 -18.0453 -18.0453 -17.8586 -17.8586 -17.7832 -17.7832 -5.3707 -5.3707 7.6345 7.6345 7.6943 7.6943 8.4029 8.4029 14.0848 14.0848 14.5715 14.5715 14.5839 14.5839 16.3877 16.3877 16.4431 16.4431 16.6095 16.6095 18.0655 18.0656 k = 0.3239 0.5611 0.3054 ( 3010 PWs) bands (ev): -41.7844 -41.7844 -41.7834 -41.7834 -18.6514 -18.6514 -18.6424 -18.6424 -18.1091 -18.1091 -18.0448 -18.0448 -17.8585 -17.8585 -17.7831 -17.7831 -5.3711 -5.3711 7.6072 7.6072 7.7247 7.7247 8.4025 8.4025 14.0842 14.0842 14.5663 14.5663 14.5861 14.5861 16.3511 16.3511 16.4253 16.4253 16.6643 16.6643 18.0427 18.0427 k = 0.3192 0.5530 0.3054 ( 3022 PWs) bands (ev): -41.7848 -41.7848 -41.7832 -41.7832 -18.6520 -18.6520 -18.6420 -18.6420 -18.1084 -18.1084 -18.0440 -18.0440 -17.8583 -17.8583 -17.7830 -17.7830 -5.3719 -5.3719 7.5817 7.5817 7.7555 7.7555 8.4017 8.4017 14.0830 14.0830 14.5599 14.5599 14.5875 14.5875 16.3159 16.3159 16.3953 16.3953 16.7294 16.7294 18.0202 18.0202 k = 0.3146 0.5448 0.3054 ( 3022 PWs) bands (ev): -41.7852 -41.7852 -41.7831 -41.7831 -18.6527 -18.6527 -18.6414 -18.6414 -18.1073 -18.1073 -18.0429 -18.0429 -17.8580 -17.8580 -17.7828 -17.7828 -5.3730 -5.3730 7.5582 7.5582 7.7865 7.7865 8.4006 8.4006 14.0811 14.0811 14.5525 14.5525 14.5881 14.5881 16.2825 16.2825 16.3618 16.3618 16.7953 16.7953 17.9989 17.9989 k = 0.3099 0.5367 0.3054 ( 3022 PWs) bands (ev): -41.7857 -41.7857 -41.7831 -41.7831 -18.6535 -18.6535 -18.6407 -18.6407 -18.1061 -18.1061 -18.0414 -18.0414 -17.8576 -17.8576 -17.7826 -17.7826 -5.3744 -5.3744 7.5366 7.5366 7.8177 7.8177 8.3991 8.3991 14.0783 14.0783 14.5442 14.5442 14.5879 14.5879 16.2510 16.2510 16.3274 16.3274 16.8586 16.8586 17.9798 17.9798 k = 0.3052 0.5286 0.3054 ( 3018 PWs) bands (ev): -41.7863 -41.7863 -41.7831 -41.7831 -18.6543 -18.6543 -18.6398 -18.6398 -18.1045 -18.1045 -18.0397 -18.0397 -17.8571 -17.8571 -17.7823 -17.7823 -5.3761 -5.3761 7.5171 7.5171 7.8491 7.8491 8.3974 8.3974 14.0745 14.0745 14.5349 14.5349 14.5871 14.5871 16.2216 16.2216 16.2930 16.2930 16.9172 16.9172 17.9635 17.9635 k = 0.3005 0.5204 0.3054 ( 3018 PWs) bands (ev): -41.7869 -41.7869 -41.7832 -41.7832 -18.6551 -18.6551 -18.6389 -18.6389 -18.1027 -18.1027 -18.0377 -18.0377 -17.8566 -17.8566 -17.7820 -17.7820 -5.3782 -5.3782 7.4997 7.4997 7.8807 7.8807 8.3953 8.3953 14.0693 14.0693 14.5248 14.5248 14.5858 14.5858 16.1944 16.1944 16.2592 16.2592 16.9696 16.9696 17.9511 17.9511 k = 0.2958 0.5123 0.3054 ( 3018 PWs) bands (ev): -41.7876 -41.7876 -41.7833 -41.7833 -18.6559 -18.6559 -18.6378 -18.6378 -18.1007 -18.1007 -18.0353 -18.0353 -17.8561 -17.8561 -17.7816 -17.7816 -5.3806 -5.3806 7.4844 7.4844 7.9125 7.9125 8.3928 8.3928 14.0627 14.0627 14.5138 14.5138 14.5843 14.5843 16.1697 16.1697 16.2261 16.2261 17.0147 17.0147 17.9433 17.9433 k = 0.2911 0.5042 0.3054 ( 3022 PWs) bands (ev): -41.7883 -41.7883 -41.7835 -41.7835 -18.6566 -18.6566 -18.6366 -18.6366 -18.0984 -18.0984 -18.0327 -18.0327 -17.8554 -17.8554 -17.7811 -17.7811 -5.3834 -5.3834 7.4712 7.4712 7.9444 7.9444 8.3901 8.3901 14.0544 14.0544 14.5020 14.5020 14.5825 14.5825 16.1474 16.1474 16.1941 16.1941 17.0512 17.0512 17.9407 17.9407 k = 0.2864 0.4960 0.3054 ( 3026 PWs) bands (ev): -41.7892 -41.7892 -41.7837 -41.7837 -18.6572 -18.6572 -18.6353 -18.6353 -18.0959 -18.0959 -18.0298 -18.0298 -17.8547 -17.8547 -17.7807 -17.7807 -5.3865 -5.3865 7.4601 7.4601 7.9764 7.9764 8.3869 8.3869 14.0441 14.0441 14.4897 14.4897 14.5805 14.5805 16.1275 16.1275 16.1634 16.1634 17.0786 17.0786 17.9436 17.9436 k = 0.2817 0.4879 0.3054 ( 3022 PWs) bands (ev): -41.7900 -41.7900 -41.7840 -41.7840 -18.6577 -18.6577 -18.6338 -18.6338 -18.0932 -18.0932 -18.0267 -18.0267 -17.8539 -17.8539 -17.7801 -17.7801 -5.3899 -5.3899 7.4513 7.4513 8.0084 8.0084 8.3834 8.3834 14.0317 14.0317 14.4770 14.4770 14.5786 14.5786 16.1100 16.1100 16.1342 16.1342 17.0967 17.0967 17.9519 17.9519 k = 0.2770 0.4798 0.3054 ( 3022 PWs) bands (ev): -41.7910 -41.7910 -41.7844 -41.7844 -18.6580 -18.6580 -18.6321 -18.6321 -18.0904 -18.0904 -18.0233 -18.0233 -17.8531 -17.8531 -17.7795 -17.7795 -5.3938 -5.3938 7.4446 7.4446 8.0406 8.0406 8.3794 8.3794 14.0171 14.0171 14.4640 14.4640 14.5766 14.5766 16.0934 16.0934 16.1082 16.1082 17.1056 17.1056 17.9649 17.9650 k = 0.2723 0.4716 0.3054 ( 3020 PWs) bands (ev): -41.7920 -41.7920 -41.7848 -41.7848 -18.6581 -18.6581 -18.6303 -18.6303 -18.0873 -18.0873 -18.0198 -18.0198 -17.8521 -17.8521 -17.7789 -17.7789 -5.3979 -5.3979 7.4401 7.4401 8.0728 8.0728 8.3751 8.3751 13.9999 13.9999 14.4511 14.4511 14.5748 14.5748 16.0727 16.0727 16.0903 16.0903 17.1063 17.1063 17.9816 17.9816 k = 0.2676 0.4635 0.3054 ( 3016 PWs) bands (ev): -41.7930 -41.7930 -41.7853 -41.7853 -18.6581 -18.6581 -18.6283 -18.6283 -18.0841 -18.0841 -18.0160 -18.0160 -17.8511 -17.8511 -17.7782 -17.7782 -5.4024 -5.4024 7.4378 7.4378 8.1049 8.1049 8.3703 8.3703 13.9803 13.9803 14.4383 14.4383 14.5730 14.5730 16.0486 16.0486 16.0801 16.0801 17.0997 17.0997 18.0005 18.0005 k = 0.2629 0.4554 0.3054 ( 3010 PWs) bands (ev): -41.7942 -41.7942 -41.7859 -41.7859 -18.6579 -18.6579 -18.6261 -18.6261 -18.0808 -18.0808 -18.0121 -18.0121 -17.8500 -17.8500 -17.7774 -17.7774 -5.4073 -5.4073 7.4378 7.4378 8.1370 8.1370 8.3650 8.3650 13.9580 13.9580 14.4260 14.4260 14.5714 14.5714 16.0249 16.0249 16.0738 16.0738 17.0869 17.0869 18.0202 18.0202 k = 0.2582 0.4472 0.3054 ( 3006 PWs) bands (ev): -41.7954 -41.7954 -41.7865 -41.7865 -18.6574 -18.6574 -18.6237 -18.6237 -18.0773 -18.0773 -18.0080 -18.0080 -17.8488 -17.8488 -17.7766 -17.7766 -5.4125 -5.4125 7.4399 7.4399 8.1690 8.1690 8.3594 8.3594 13.9332 13.9332 14.4141 14.4141 14.5699 14.5699 16.0024 16.0024 16.0706 16.0706 17.0691 17.0691 18.0391 18.0391 k = 0.2535 0.4391 0.3054 ( 3000 PWs) bands (ev): -41.7966 -41.7966 -41.7872 -41.7872 -18.6567 -18.6567 -18.6211 -18.6211 -18.0737 -18.0737 -18.0038 -18.0038 -17.8475 -17.8475 -17.7758 -17.7758 -5.4180 -5.4180 7.4443 7.4443 8.2007 8.2007 8.3534 8.3534 13.9059 13.9059 14.4029 14.4029 14.5685 14.5685 15.9814 15.9814 16.0701 16.0701 17.0473 17.0473 18.0559 18.0559 k = 0.2488 0.4310 0.3054 ( 3004 PWs) bands (ev): -41.7980 -41.7980 -41.7879 -41.7879 -18.6558 -18.6558 -18.6183 -18.6183 -18.0700 -18.0700 -17.9994 -17.9994 -17.8461 -17.8461 -17.7748 -17.7748 -5.4238 -5.4238 7.4508 7.4508 8.2318 8.2318 8.3473 8.3473 13.8762 13.8762 14.3925 14.3925 14.5672 14.5672 15.9620 15.9620 16.0723 16.0723 17.0225 17.0225 18.0690 18.0690 k = 0.2441 0.4228 0.3054 ( 3004 PWs) bands (ev): -41.7993 -41.7993 -41.7887 -41.7887 -18.6546 -18.6546 -18.6152 -18.6152 -18.0662 -18.0662 -17.9950 -17.9950 -17.8446 -17.8446 -17.7739 -17.7739 -5.4300 -5.4300 7.4595 7.4595 8.2615 8.2615 8.3420 8.3420 13.8445 13.8445 14.3829 14.3829 14.5659 14.5659 15.9443 15.9443 16.0770 16.0770 16.9952 16.9952 18.0753 18.0758 k = 0.2394 0.4147 0.3054 ( 2996 PWs) bands (ev): -41.8008 -41.8008 -41.7896 -41.7896 -18.6532 -18.6532 -18.6120 -18.6120 -18.0622 -18.0622 -17.9905 -17.9905 -17.8430 -17.8430 -17.7728 -17.7728 -5.4364 -5.4364 7.4703 7.4703 8.2867 8.2867 8.3402 8.3402 13.8109 13.8109 14.3741 14.3741 14.5645 14.5645 15.9284 15.9284 16.0840 16.0840 16.9663 16.9663 18.0669 18.0670 k = 0.2347 0.4066 0.3054 ( 3004 PWs) bands (ev): -41.8023 -41.8023 -41.7905 -41.7905 -18.6515 -18.6515 -18.6086 -18.6086 -18.0582 -18.0582 -17.9859 -17.9859 -17.8413 -17.8413 -17.7717 -17.7717 -5.4432 -5.4432 7.4833 7.4833 8.2988 8.2988 8.3506 8.3506 13.7756 13.7756 14.3664 14.3664 14.5631 14.5631 15.9144 15.9144 16.0934 16.0934 16.9361 16.9361 18.0505 18.0505 k = 0.2300 0.3985 0.3054 ( 3004 PWs) bands (ev): -41.8039 -41.8039 -41.7915 -41.7915 -18.6495 -18.6495 -18.6050 -18.6050 -18.0541 -18.0541 -17.9813 -17.9813 -17.8394 -17.8394 -17.7706 -17.7706 -5.4503 -5.4503 7.4984 7.4984 8.2964 8.2964 8.3746 8.3746 13.7390 13.7390 14.3597 14.3597 14.5615 14.5615 15.9022 15.9022 16.1049 16.1049 16.9051 16.9051 18.0321 18.0321 k = 0.2254 0.3903 0.3054 ( 2996 PWs) bands (ev): -41.8055 -41.8055 -41.7926 -41.7926 -18.6473 -18.6473 -18.6012 -18.6012 -18.0500 -18.0500 -17.9766 -17.9766 -17.8374 -17.8374 -17.7693 -17.7693 -5.4576 -5.4576 7.5156 7.5156 8.2880 8.2880 8.4036 8.4036 13.7014 13.7014 14.3541 14.3541 14.5596 14.5596 15.8920 15.8920 16.1183 16.1183 16.8736 16.8736 18.0128 18.0128 k = 0.2207 0.3822 0.3054 ( 3000 PWs) bands (ev): -41.8071 -41.8071 -41.7937 -41.7937 -18.6448 -18.6448 -18.5972 -18.5972 -18.0458 -18.0458 -17.9720 -17.9720 -17.8353 -17.8353 -17.7681 -17.7681 -5.4652 -5.4652 7.5349 7.5349 8.2770 8.2770 8.4339 8.4339 13.6631 13.6631 14.3496 14.3496 14.5573 14.5573 15.8837 15.8837 16.1336 16.1336 16.8421 16.8421 17.9927 17.9927 k = 0.2160 0.3741 0.3054 ( 2996 PWs) bands (ev): -41.8088 -41.8088 -41.7948 -41.7948 -18.6421 -18.6421 -18.5930 -18.5930 -18.0415 -18.0415 -17.9673 -17.9673 -17.8330 -17.8330 -17.7667 -17.7667 -5.4731 -5.4731 7.5561 7.5561 8.2644 8.2644 8.4647 8.4647 13.6243 13.6243 14.3464 14.3464 14.5545 14.5545 15.8773 15.8773 16.1506 16.1506 16.8106 16.8106 17.9720 17.9720 k = 0.2113 0.3659 0.3054 ( 2996 PWs) bands (ev): -41.8106 -41.8106 -41.7960 -41.7960 -18.6391 -18.6391 -18.5887 -18.5887 -18.0371 -18.0371 -17.9627 -17.9627 -17.8305 -17.8305 -17.7653 -17.7653 -5.4812 -5.4812 7.5794 7.5794 8.2505 8.2505 8.4955 8.4955 13.5853 13.5853 14.3444 14.3444 14.5512 14.5512 15.8730 15.8730 16.1690 16.1690 16.7796 16.7796 17.9507 17.9509 k = 0.2066 0.3578 0.3054 ( 3000 PWs) bands (ev): -41.8124 -41.8124 -41.7973 -41.7973 -18.6359 -18.6359 -18.5842 -18.5842 -18.0327 -18.0327 -17.9580 -17.9580 -17.8279 -17.8279 -17.7639 -17.7639 -5.4896 -5.4896 7.6045 7.6045 8.2353 8.2353 8.5261 8.5261 13.5465 13.5465 14.3439 14.3439 14.5471 14.5471 15.8706 15.8706 16.1888 16.1888 16.7491 16.7491 17.9288 17.9289 k = 0.2019 0.3497 0.3054 ( 3008 PWs) bands (ev): -41.8143 -41.8143 -41.7986 -41.7986 -18.6325 -18.6325 -18.5796 -18.5796 -18.0282 -18.0282 -17.9534 -17.9534 -17.8251 -17.8251 -17.7624 -17.7624 -5.4981 -5.4981 7.6316 7.6316 8.2189 8.2189 8.5566 8.5566 13.5081 13.5081 14.3449 14.3449 14.5422 14.5422 15.8702 15.8702 16.2098 16.2098 16.7194 16.7194 17.9062 17.9063 k = 0.1972 0.3415 0.3054 ( 3008 PWs) bands (ev): -41.8161 -41.8161 -41.7999 -41.7999 -18.6288 -18.6288 -18.5749 -18.5749 -18.0237 -18.0237 -17.9489 -17.9489 -17.8221 -17.8221 -17.7608 -17.7608 -5.5069 -5.5069 7.6605 7.6605 8.2013 8.2013 8.5868 8.5868 13.4703 13.4703 14.3474 14.3474 14.5364 14.5364 15.8718 15.8718 16.2318 16.2318 16.6906 16.6906 17.8818 17.8819 k = 0.1925 0.3334 0.3054 ( 2996 PWs) bands (ev): -41.8181 -41.8181 -41.8013 -41.8013 -18.6250 -18.6250 -18.5701 -18.5701 -18.0191 -18.0191 -17.9444 -17.9444 -17.8190 -17.8190 -17.7591 -17.7591 -5.5158 -5.5158 7.6911 7.6911 8.1825 8.1825 8.6166 8.6166 13.4335 13.4335 14.3516 14.3516 14.5295 14.5295 15.8752 15.8752 16.2546 16.2546 16.6629 16.6629 17.8497 17.8499 k = 0.1878 0.3253 0.3054 ( 2992 PWs) bands (ev): -41.8200 -41.8200 -41.8028 -41.8028 -18.6210 -18.6210 -18.5653 -18.5653 -18.0144 -18.0144 -17.9400 -17.9400 -17.8157 -17.8157 -17.7574 -17.7574 -5.5249 -5.5249 7.7235 7.7235 8.1625 8.1625 8.6459 8.6459 13.3977 13.3977 14.3575 14.3575 14.5215 14.5215 15.8804 15.8804 16.2781 16.2781 16.6365 16.6365 17.8055 17.8059 k = 0.1831 0.3171 0.3054 ( 2996 PWs) bands (ev): -41.8220 -41.8220 -41.8042 -41.8042 -18.6168 -18.6168 -18.5604 -18.5604 -18.0097 -18.0097 -17.9356 -17.9356 -17.8123 -17.8123 -17.7556 -17.7556 -5.5342 -5.5342 7.7575 7.7575 8.1413 8.1413 8.6748 8.6748 13.3633 13.3633 14.3653 14.3653 14.5122 14.5122 15.8873 15.8873 16.3020 16.3020 16.6114 16.6114 17.7559 17.7559 k = 0.1784 0.3090 0.3054 ( 2996 PWs) bands (ev): -41.8240 -41.8240 -41.8057 -41.8057 -18.6124 -18.6124 -18.5554 -18.5554 -18.0050 -18.0050 -17.9313 -17.9313 -17.8086 -17.8086 -17.7538 -17.7538 -5.5436 -5.5436 7.7931 7.7931 8.1189 8.1189 8.7032 8.7032 13.3305 13.3305 14.3748 14.3748 14.5016 14.5016 15.8957 15.8957 16.3263 16.3263 16.5879 16.5879 17.7034 17.7034 k = 0.1737 0.3009 0.3054 ( 2996 PWs) bands (ev): -41.8260 -41.8260 -41.8072 -41.8072 -18.6079 -18.6079 -18.5505 -18.5505 -18.0001 -18.0001 -17.9271 -17.9271 -17.8049 -17.8049 -17.7519 -17.7519 -5.5531 -5.5531 7.8303 7.8303 8.0953 8.0953 8.7310 8.7310 13.2994 13.2994 14.3863 14.3863 14.4896 14.4896 15.9054 15.9054 16.3506 16.3506 16.5660 16.5660 17.6488 17.6488 k = 0.1690 0.2927 0.3054 ( 2996 PWs) bands (ev): -41.8280 -41.8280 -41.8088 -41.8088 -18.6033 -18.6033 -18.5456 -18.5456 -17.9953 -17.9953 -17.9229 -17.9229 -17.8009 -17.8009 -17.7499 -17.7499 -5.5628 -5.5628 7.8688 7.8688 8.0706 8.0706 8.7581 8.7581 13.2702 13.2702 14.3998 14.3998 14.4762 14.4762 15.9162 15.9162 16.3750 16.3750 16.5459 16.5459 17.5928 17.5929 k = 0.1643 0.2846 0.3054 ( 3002 PWs) bands (ev): -41.8301 -41.8301 -41.8104 -41.8104 -18.5987 -18.5987 -18.5407 -18.5407 -17.9903 -17.9903 -17.9188 -17.9188 -17.7968 -17.7968 -17.7478 -17.7478 -5.5725 -5.5725 7.9087 7.9087 8.0449 8.0449 8.7845 8.7845 13.2431 13.2431 14.4152 14.4152 14.4614 14.4614 15.9278 15.9278 16.3990 16.3990 16.5278 16.5278 17.5362 17.5363 k = 0.1596 0.2765 0.3054 ( 3002 PWs) bands (ev): -41.8322 -41.8322 -41.8119 -41.8119 -18.5939 -18.5939 -18.5359 -18.5359 -17.9853 -17.9853 -17.9149 -17.9149 -17.7926 -17.7926 -17.7457 -17.7457 -5.5822 -5.5822 7.9498 7.9498 8.0182 8.0182 8.8102 8.8102 13.2182 13.2182 14.4325 14.4325 14.4452 14.4452 15.9398 15.9398 16.4226 16.4226 16.5120 16.5120 17.4796 17.4796 k = 0.1549 0.2683 0.3054 ( 2994 PWs) bands (ev): -41.8342 -41.8342 -41.8135 -41.8135 -18.5891 -18.5891 -18.5311 -18.5311 -17.9803 -17.9803 -17.9109 -17.9109 -17.7882 -17.7882 -17.7435 -17.7435 -5.5920 -5.5920 7.9868 7.9868 7.9958 7.9958 8.8351 8.8351 13.1956 13.1956 14.4269 14.4269 14.4524 14.4524 15.9518 15.9518 16.4451 16.4451 16.4990 16.4990 17.4237 17.4237 k = 0.1502 0.2602 0.3054 ( 2994 PWs) bands (ev): -41.8363 -41.8363 -41.8152 -41.8152 -18.5842 -18.5842 -18.5265 -18.5265 -17.9752 -17.9752 -17.9071 -17.9071 -17.7837 -17.7837 -17.7413 -17.7413 -5.6018 -5.6018 7.9611 7.9611 8.0362 8.0362 8.8592 8.8592 13.1755 13.1755 14.4076 14.4076 14.4738 14.4738 15.9632 15.9632 16.4648 16.4648 16.4907 16.4907 17.3691 17.3691 k = 0.1455 0.2521 0.3054 ( 2998 PWs) bands (ev): -41.8383 -41.8383 -41.8168 -41.8168 -18.5793 -18.5793 -18.5219 -18.5219 -17.9700 -17.9700 -17.9034 -17.9034 -17.7791 -17.7791 -17.7389 -17.7389 -5.6117 -5.6117 7.9316 7.9316 8.0806 8.0806 8.8824 8.8824 13.1579 13.1579 14.3868 14.3868 14.4972 14.4972 15.9734 15.9734 16.4718 16.4718 16.4971 16.4971 17.3165 17.3165 k = 0.1408 0.2440 0.3054 ( 2994 PWs) bands (ev): -41.8404 -41.8404 -41.8184 -41.8184 -18.5744 -18.5744 -18.5175 -18.5175 -17.9648 -17.9648 -17.8997 -17.8997 -17.7745 -17.7745 -17.7365 -17.7365 -5.6215 -5.6215 7.9013 7.9013 8.1259 8.1259 8.9047 8.9047 13.1428 13.1428 14.3646 14.3646 14.5226 14.5226 15.9817 15.9817 16.4693 16.4693 16.5150 16.5150 17.2666 17.2666 k = 0.1362 0.2358 0.3054 ( 2990 PWs) bands (ev): -41.8424 -41.8424 -41.8200 -41.8200 -18.5696 -18.5696 -18.5132 -18.5132 -17.9596 -17.9596 -17.8962 -17.8962 -17.7697 -17.7697 -17.7341 -17.7341 -5.6312 -5.6312 7.8704 7.8704 8.1719 8.1719 8.9261 8.9261 13.1304 13.1304 14.3411 14.3411 14.5498 14.5498 15.9874 15.9874 16.4683 16.4683 16.5338 16.5338 17.2200 17.2200 k = 0.1315 0.2277 0.3054 ( 2994 PWs) bands (ev): -41.8444 -41.8444 -41.8216 -41.8216 -18.5647 -18.5647 -18.5091 -18.5091 -17.9544 -17.9544 -17.8927 -17.8927 -17.7649 -17.7649 -17.7315 -17.7315 -5.6409 -5.6409 7.8389 7.8389 8.2187 8.2187 8.9465 8.9465 13.1206 13.1206 14.3163 14.3163 14.5789 14.5789 15.9897 15.9897 16.4708 16.4708 16.5518 16.5518 17.1773 17.1773 k = 0.1268 0.2196 0.3054 ( 3000 PWs) bands (ev): -41.8464 -41.8464 -41.8232 -41.8232 -18.5600 -18.5600 -18.5052 -18.5052 -17.9492 -17.9492 -17.8894 -17.8894 -17.7600 -17.7600 -17.7288 -17.7288 -5.6505 -5.6505 7.8069 7.8069 8.2659 8.2659 8.9658 8.9658 13.1134 13.1134 14.2903 14.2903 14.6098 14.6098 15.9882 15.9882 16.4771 16.4771 16.5684 16.5684 17.1390 17.1390 k = 0.1221 0.2114 0.3054 ( 2998 PWs) bands (ev): -41.8484 -41.8484 -41.8248 -41.8248 -18.5552 -18.5552 -18.5015 -18.5015 -17.9440 -17.9440 -17.8861 -17.8861 -17.7552 -17.7552 -17.7260 -17.7260 -5.6601 -5.6601 7.7747 7.7747 8.3136 8.3136 8.9842 8.9842 13.1089 13.1089 14.2632 14.2632 14.6423 14.6423 15.9825 15.9825 16.4876 16.4876 16.5834 16.5834 17.1055 17.1055 k = 0.1174 0.2033 0.3054 ( 2994 PWs) bands (ev): -41.8503 -41.8503 -41.8264 -41.8264 -18.5506 -18.5506 -18.4979 -18.4979 -17.9388 -17.9388 -17.8829 -17.8829 -17.7504 -17.7504 -17.7232 -17.7232 -5.6694 -5.6694 7.7423 7.7423 8.3615 8.3615 9.0015 9.0015 13.1069 13.1069 14.2352 14.2352 14.6764 14.6764 15.9724 15.9724 16.5020 16.5020 16.5967 16.5967 17.0772 17.0772 k = 0.1127 0.1952 0.3054 ( 2994 PWs) bands (ev): -41.8522 -41.8522 -41.8279 -41.8279 -18.5460 -18.5460 -18.4946 -18.4946 -17.9336 -17.9336 -17.8799 -17.8799 -17.7456 -17.7456 -17.7202 -17.7202 -5.6787 -5.6787 7.7097 7.7097 8.4096 8.4096 9.0178 9.0178 13.1074 13.1074 14.2064 14.2064 14.7119 14.7119 15.9581 15.9581 16.5203 16.5203 16.6082 16.6082 17.0542 17.0542 k = 0.1080 0.1870 0.3054 ( 2990 PWs) bands (ev): -41.8541 -41.8541 -41.8294 -41.8294 -18.5416 -18.5416 -18.4914 -18.4914 -17.9285 -17.9285 -17.8769 -17.8769 -17.7409 -17.7409 -17.7170 -17.7170 -5.6877 -5.6877 7.6773 7.6773 8.4576 8.4576 9.0331 9.0331 13.1104 13.1104 14.1769 14.1769 14.7488 14.7488 15.9399 15.9399 16.5418 16.5418 16.6176 16.6176 17.0367 17.0367 k = 0.1033 0.1789 0.3054 ( 2990 PWs) bands (ev): -41.8559 -41.8559 -41.8309 -41.8309 -18.5373 -18.5373 -18.4885 -18.4885 -17.9234 -17.9234 -17.8740 -17.8740 -17.7364 -17.7364 -17.7137 -17.7137 -5.6966 -5.6966 7.6450 7.6450 8.5054 8.5054 9.0473 9.0473 13.1156 13.1156 14.1469 14.1469 14.7868 14.7868 15.9183 15.9183 16.5662 16.5662 16.6251 16.6251 17.0245 17.0245 k = 0.0986 0.1708 0.3054 ( 2986 PWs) bands (ev): -41.8577 -41.8577 -41.8324 -41.8324 -18.5331 -18.5331 -18.4858 -18.4858 -17.9185 -17.9185 -17.8713 -17.8713 -17.7320 -17.7320 -17.7103 -17.7103 -5.7053 -5.7053 7.6131 7.6131 8.5529 8.5529 9.0606 9.0606 13.1231 13.1231 14.1165 14.1165 14.8259 14.8259 15.8941 15.8941 16.5925 16.5925 16.6310 16.6310 17.0176 17.0176 k = 0.0939 0.1626 0.3054 ( 2990 PWs) bands (ev): -41.8594 -41.8594 -41.8338 -41.8338 -18.5290 -18.5290 -18.4832 -18.4832 -17.9136 -17.9136 -17.8687 -17.8687 -17.7278 -17.7278 -17.7067 -17.7067 -5.7137 -5.7137 7.5816 7.5816 8.5999 8.5999 9.0728 9.0728 13.1325 13.1325 14.0859 14.0859 14.8658 14.8658 15.8676 15.8676 16.6175 16.6175 16.6379 16.6379 17.0156 17.0156 k = 0.0892 0.1545 0.3054 ( 2984 PWs) bands (ev): -41.8611 -41.8611 -41.8351 -41.8351 -18.5250 -18.5250 -18.4809 -18.4809 -17.9089 -17.9089 -17.8662 -17.8662 -17.7238 -17.7238 -17.7030 -17.7030 -5.7219 -5.7219 7.5507 7.5507 8.6462 8.6462 9.0841 9.0841 13.1438 13.1438 14.0552 14.0552 14.9065 14.9065 15.8397 15.8397 16.6280 16.6280 16.6588 16.6588 17.0184 17.0184 k = 0.0845 0.1464 0.3054 ( 2980 PWs) bands (ev): -41.8627 -41.8627 -41.8365 -41.8365 -18.5213 -18.5213 -18.4788 -18.4788 -17.9043 -17.9043 -17.8638 -17.8638 -17.7200 -17.7200 -17.6991 -17.6991 -5.7298 -5.7298 7.5205 7.5205 8.6916 8.6916 9.0945 9.0945 13.1568 13.1568 14.0247 14.0247 14.9477 14.9477 15.8108 15.8108 16.6278 16.6278 16.6893 16.6893 17.0257 17.0257 k = 0.0798 0.1382 0.3054 ( 2984 PWs) bands (ev): -41.8642 -41.8642 -41.8377 -41.8377 -18.5176 -18.5176 -18.4769 -18.4769 -17.8999 -17.8999 -17.8616 -17.8616 -17.7164 -17.7164 -17.6952 -17.6952 -5.7374 -5.7374 7.4912 7.4912 8.7361 8.7361 9.1040 9.1040 13.1712 13.1712 13.9944 13.9944 14.9892 14.9892 15.7814 15.7814 16.6243 16.6243 16.7221 16.7221 17.0370 17.0370 k = 0.0751 0.1301 0.3054 ( 2984 PWs) bands (ev): -41.8657 -41.8657 -41.8390 -41.8390 -18.5141 -18.5141 -18.4752 -18.4752 -17.8956 -17.8956 -17.8594 -17.8594 -17.7131 -17.7131 -17.6912 -17.6912 -5.7446 -5.7446 7.4628 7.4628 8.7793 8.7793 9.1126 9.1126 13.1869 13.1869 13.9647 13.9647 15.0309 15.0309 15.7521 15.7521 16.6183 16.6183 16.7559 16.7559 17.0522 17.0522 k = 0.0704 0.1220 0.3054 ( 2980 PWs) bands (ev): -41.8671 -41.8671 -41.8401 -41.8401 -18.5108 -18.5108 -18.4737 -18.4737 -17.8915 -17.8915 -17.8574 -17.8574 -17.7099 -17.7099 -17.6872 -17.6872 -5.7516 -5.7516 7.4355 7.4355 8.8211 8.8211 9.1204 9.1204 13.2035 13.2035 13.9356 13.9356 15.0725 15.0725 15.7232 15.7232 16.6103 16.6103 16.7904 16.7904 17.0709 17.0709 k = 0.0657 0.1138 0.3054 ( 2980 PWs) bands (ev): -41.8684 -41.8684 -41.8412 -41.8412 -18.5076 -18.5076 -18.4724 -18.4724 -17.8877 -17.8877 -17.8555 -17.8555 -17.7070 -17.7070 -17.6832 -17.6832 -5.7582 -5.7582 7.4094 7.4094 8.8614 8.8614 9.1274 9.1274 13.2209 13.2209 13.9074 13.9074 15.1137 15.1137 15.6951 15.6951 16.6004 16.6004 16.8251 16.8251 17.0928 17.0928 k = 0.0610 0.1057 0.3054 ( 2968 PWs) bands (ev): -41.8696 -41.8696 -41.8423 -41.8423 -18.5046 -18.5046 -18.4713 -18.4713 -17.8840 -17.8840 -17.8538 -17.8538 -17.7042 -17.7042 -17.6794 -17.6794 -5.7644 -5.7644 7.3846 7.3846 8.8999 8.8999 9.1337 9.1337 13.2387 13.2387 13.8802 13.8802 15.1544 15.1544 15.6680 15.6680 16.5890 16.5890 16.8599 16.8599 17.1174 17.1174 k = 0.0563 0.0976 0.3054 ( 2972 PWs) bands (ev): -41.8708 -41.8708 -41.8432 -41.8432 -18.5018 -18.5018 -18.4703 -18.4703 -17.8806 -17.8806 -17.8522 -17.8522 -17.7016 -17.7016 -17.6756 -17.6756 -5.7702 -5.7702 7.3612 7.3612 8.9364 8.9364 9.1394 9.1394 13.2568 13.2568 13.8542 13.8542 15.1942 15.1942 15.6423 15.6423 16.5763 16.5763 16.8946 16.8946 17.1439 17.1439 k = 0.0516 0.0894 0.3054 ( 2976 PWs) bands (ev): -41.8719 -41.8719 -41.8442 -41.8442 -18.4991 -18.4991 -18.4695 -18.4695 -17.8774 -17.8774 -17.8507 -17.8507 -17.6991 -17.6991 -17.6721 -17.6721 -5.7757 -5.7757 7.3393 7.3393 8.9708 8.9708 9.1444 9.1444 13.2747 13.2747 13.8295 13.8295 15.2328 15.2328 15.6181 15.6181 16.5625 16.5625 16.9289 16.9289 17.1651 17.1651 k = 0.0469 0.0813 0.3054 ( 2976 PWs) bands (ev): -41.8729 -41.8729 -41.8450 -41.8450 -18.4967 -18.4967 -18.4688 -18.4688 -17.8745 -17.8745 -17.8494 -17.8494 -17.6969 -17.6969 -17.6687 -17.6687 -5.7807 -5.7807 7.3190 7.3190 9.0028 9.0028 9.1488 9.1488 13.2923 13.2923 13.8064 13.8064 15.2700 15.2700 15.5955 15.5955 16.5480 16.5480 16.9627 16.9627 17.1657 17.1657 k = 0.0423 0.0732 0.3054 ( 2974 PWs) bands (ev): -41.8738 -41.8738 -41.8458 -41.8458 -18.4943 -18.4943 -18.4683 -18.4683 -17.8718 -17.8718 -17.8482 -17.8482 -17.6948 -17.6948 -17.6656 -17.6656 -5.7852 -5.7852 7.3003 7.3003 9.0324 9.0324 9.1527 9.1527 13.3093 13.3093 13.7849 13.7849 15.3054 15.3054 15.5749 15.5749 16.5332 16.5332 16.9958 16.9958 17.1645 17.1645 k = 0.0376 0.0651 0.3054 ( 2970 PWs) bands (ev): -41.8746 -41.8746 -41.8464 -41.8464 -18.4922 -18.4922 -18.4680 -18.4680 -17.8694 -17.8694 -17.8471 -17.8471 -17.6929 -17.6929 -17.6628 -17.6628 -5.7894 -5.7894 7.2835 7.2835 9.0592 9.0592 9.1562 9.1562 13.3254 13.3254 13.7653 13.7653 15.3386 15.3386 15.5562 15.5562 16.5183 16.5183 17.0278 17.0278 17.1649 17.1649 k = 0.0329 0.0569 0.3054 ( 2974 PWs) bands (ev): -41.8754 -41.8754 -41.8471 -41.8471 -18.4903 -18.4903 -18.4677 -18.4677 -17.8672 -17.8672 -17.8462 -17.8462 -17.6912 -17.6912 -17.6602 -17.6602 -5.7930 -5.7930 7.2684 7.2684 9.0832 9.0832 9.1593 9.1593 13.3403 13.3403 13.7477 13.7477 15.3693 15.3693 15.5397 15.5397 16.5038 16.5038 17.0585 17.0585 17.1672 17.1672 k = 0.0282 0.0488 0.3054 ( 2970 PWs) bands (ev): -41.8760 -41.8760 -41.8476 -41.8476 -18.4886 -18.4886 -18.4675 -18.4675 -17.8653 -17.8653 -17.8454 -17.8454 -17.6897 -17.6897 -17.6579 -17.6579 -5.7963 -5.7963 7.2552 7.2552 9.1041 9.1041 9.1621 9.1621 13.3538 13.3538 13.7321 13.7321 15.3968 15.3968 15.5253 15.5253 16.4900 16.4900 17.0875 17.0875 17.1714 17.1714 k = 0.0235 0.0407 0.3054 ( 2970 PWs) bands (ev): -41.8765 -41.8765 -41.8480 -41.8480 -18.4871 -18.4871 -18.4675 -18.4675 -17.8637 -17.8637 -17.8447 -17.8447 -17.6884 -17.6884 -17.6560 -17.6560 -5.7990 -5.7990 7.2440 7.2440 9.1217 9.1217 9.1647 9.1647 13.3656 13.3656 13.7188 13.7188 15.4208 15.4208 15.5134 15.5134 16.4774 16.4774 17.1142 17.1142 17.1772 17.1772 k = 0.0188 0.0325 0.3054 ( 2968 PWs) bands (ev): -41.8770 -41.8770 -41.8484 -41.8484 -18.4858 -18.4858 -18.4675 -18.4675 -17.8624 -17.8624 -17.8441 -17.8441 -17.6874 -17.6874 -17.6544 -17.6544 -5.8012 -5.8012 7.2347 7.2347 9.1358 9.1358 9.1673 9.1673 13.3756 13.3756 13.7077 13.7077 15.4407 15.4407 15.5041 15.5041 16.4663 16.4663 17.1377 17.1377 17.1845 17.1845 k = 0.0141 0.0244 0.3054 ( 2966 PWs) bands (ev): -41.8773 -41.8773 -41.8487 -41.8487 -18.4848 -18.4848 -18.4675 -18.4675 -17.8614 -17.8614 -17.8437 -17.8437 -17.6865 -17.6865 -17.6531 -17.6531 -5.8030 -5.8030 7.2275 7.2275 9.1460 9.1460 9.1702 9.1702 13.3835 13.3835 13.6990 13.6990 15.4554 15.4554 15.4980 15.4980 16.4573 16.4573 17.1569 17.1569 17.1930 17.1930 k = 0.0094 0.0163 0.3054 ( 2970 PWs) bands (ev): -41.8776 -41.8776 -41.8489 -41.8489 -18.4840 -18.4840 -18.4675 -18.4675 -17.8607 -17.8607 -17.8434 -17.8434 -17.6859 -17.6859 -17.6522 -17.6522 -5.8042 -5.8042 7.2223 7.2223 9.1523 9.1523 9.1732 9.1732 13.3893 13.3893 13.6927 13.6927 15.4644 15.4644 15.4955 15.4955 16.4505 16.4505 17.1707 17.1707 17.2018 17.2018 k = 0.0047 0.0081 0.3054 ( 2970 PWs) bands (ev): -41.8777 -41.8777 -41.8490 -41.8490 -18.4836 -18.4836 -18.4676 -18.4676 -17.8602 -17.8602 -17.8432 -17.8432 -17.6856 -17.6856 -17.6516 -17.6516 -5.8050 -5.8050 7.2192 7.2192 9.1556 9.1556 9.1756 9.1756 13.3928 13.3928 13.6890 13.6890 15.4680 15.4680 15.4959 15.4959 16.4463 16.4463 17.1788 17.1788 17.2087 17.2087 k = 0.0000 0.0000 0.3054 ( 2978 PWs) bands (ev): -41.8778 -41.8778 -41.8491 -41.8491 -18.4834 -18.4834 -18.4676 -18.4676 -17.8601 -17.8601 -17.8432 -17.8432 -17.6854 -17.6854 -17.6515 -17.6515 -5.8052 -5.8052 7.2181 7.2181 9.1565 9.1565 9.1765 9.1765 13.3940 13.3940 13.6877 13.6877 15.4688 15.4688 15.4964 15.4964 16.4449 16.4449 17.1815 17.1815 17.2113 17.2113 k = 0.5000 0.2887 0.3054 ( 2992 PWs) bands (ev): -41.7977 -41.7977 -41.7876 -41.7876 -18.6955 -18.6955 -18.6536 -18.6536 -18.0357 -18.0357 -18.0052 -18.0052 -17.7929 -17.7929 -17.7759 -17.7759 -5.4313 -5.4313 7.0129 7.0129 8.3070 8.3070 8.8649 8.8649 13.6586 13.6586 14.0941 14.0941 14.7242 14.7242 15.0755 15.0755 16.4282 16.4282 17.9738 17.9738 18.1690 18.1690 k = 0.5000 0.2887 0.2961 ( 2988 PWs) bands (ev): -41.7978 -41.7978 -41.7875 -41.7875 -18.6955 -18.6955 -18.6535 -18.6535 -18.0357 -18.0357 -18.0052 -18.0052 -17.7937 -17.7937 -17.7752 -17.7752 -5.4313 -5.4313 7.0129 7.0129 8.3070 8.3070 8.8648 8.8648 13.6547 13.6547 14.0953 14.0953 14.7221 14.7221 15.0811 15.0811 16.4294 16.4294 17.9736 17.9736 18.1662 18.1662 k = 0.5000 0.2887 0.2869 ( 2984 PWs) bands (ev): -41.7979 -41.7979 -41.7874 -41.7874 -18.6954 -18.6954 -18.6532 -18.6532 -18.0359 -18.0359 -18.0051 -18.0051 -17.7959 -17.7959 -17.7733 -17.7733 -5.4312 -5.4312 7.0128 7.0128 8.3072 8.3072 8.8643 8.8643 13.6433 13.6433 14.0988 14.0988 14.7161 14.7161 15.0974 15.0974 16.4330 16.4330 17.9729 17.9729 18.1583 18.1583 k = 0.5000 0.2887 0.2776 ( 2988 PWs) bands (ev): -41.7982 -41.7982 -41.7871 -41.7871 -18.6953 -18.6953 -18.6526 -18.6526 -18.0361 -18.0361 -18.0048 -18.0048 -17.7989 -17.7989 -17.7710 -17.7710 -5.4311 -5.4311 7.0128 7.0128 8.3074 8.3074 8.8636 8.8636 13.6250 13.6250 14.1040 14.1040 14.7075 14.7075 15.1231 15.1231 16.4391 16.4391 17.9717 17.9717 18.1470 18.1470 k = 0.5000 0.2887 0.2684 ( 2992 PWs) bands (ev): -41.7986 -41.7986 -41.7867 -41.7867 -18.6952 -18.6952 -18.6519 -18.6519 -18.0364 -18.0364 -18.0045 -18.0045 -17.8025 -17.8025 -17.7684 -17.7684 -5.4309 -5.4309 7.0127 7.0127 8.3078 8.3078 8.8626 8.8626 13.6008 13.6008 14.1103 14.1103 14.6978 14.6978 15.1565 15.1565 16.4475 16.4475 17.9702 17.9702 18.1339 18.1339 k = 0.5000 0.2887 0.2591 ( 2992 PWs) bands (ev): -41.7991 -41.7991 -41.7862 -41.7862 -18.6950 -18.6950 -18.6510 -18.6510 -18.0368 -18.0368 -18.0042 -18.0042 -17.8063 -17.8063 -17.7657 -17.7657 -5.4307 -5.4307 7.0126 7.0126 8.3083 8.3083 8.8613 8.8613 13.5717 13.5717 14.1169 14.1169 14.6881 14.6881 15.1961 15.1961 16.4583 16.4583 17.9683 17.9683 18.1200 18.1200 k = 0.5000 0.2887 0.2498 ( 2996 PWs) bands (ev): -41.7996 -41.7996 -41.7857 -41.7857 -18.6948 -18.6948 -18.6500 -18.6500 -18.0372 -18.0372 -18.0038 -18.0038 -17.8103 -17.8103 -17.7631 -17.7631 -5.4305 -5.4305 7.0125 7.0125 8.3088 8.3088 8.8598 8.8598 13.5386 13.5386 14.1232 14.1232 14.6792 14.6792 15.2406 15.2406 16.4713 16.4713 17.9662 17.9662 18.1060 18.1060 k = 0.5000 0.2887 0.2406 ( 3000 PWs) bands (ev): -41.8001 -41.8001 -41.7852 -41.7852 -18.6944 -18.6944 -18.6488 -18.6488 -18.0376 -18.0376 -18.0034 -18.0034 -17.8144 -17.8144 -17.7606 -17.7606 -5.4302 -5.4302 7.0124 7.0124 8.3095 8.3095 8.8580 8.8580 13.5024 13.5024 14.1289 14.1289 14.6718 14.6718 15.2889 15.2889 16.4866 16.4866 17.9638 17.9638 18.0924 18.0924 k = 0.5000 0.2887 0.2313 ( 3000 PWs) bands (ev): -41.8007 -41.8007 -41.7846 -41.7846 -18.6940 -18.6940 -18.6476 -18.6476 -18.0380 -18.0380 -18.0029 -18.0029 -17.8186 -17.8186 -17.7582 -17.7582 -5.4299 -5.4299 7.0122 7.0122 8.3102 8.3102 8.8559 8.8559 13.4638 13.4638 14.1335 14.1335 14.6662 14.6662 15.3403 15.3403 16.5041 16.5041 17.9612 17.9612 18.0796 18.0796 k = 0.5000 0.2887 0.2221 ( 3004 PWs) bands (ev): -41.8013 -41.8013 -41.7840 -41.7840 -18.6935 -18.6935 -18.6462 -18.6462 -18.0385 -18.0385 -18.0025 -18.0025 -17.8229 -17.8229 -17.7560 -17.7560 -5.4295 -5.4295 7.0121 7.0121 8.3111 8.3111 8.8537 8.8537 13.4236 13.4236 14.1370 14.1370 14.6625 14.6625 15.3940 15.3940 16.5237 16.5237 17.9587 17.9587 18.0676 18.0676 k = 0.5000 0.2887 0.2128 ( 3004 PWs) bands (ev): -41.8019 -41.8019 -41.7834 -41.7834 -18.6928 -18.6928 -18.6449 -18.6449 -18.0389 -18.0389 -18.0021 -18.0021 -17.8273 -17.8273 -17.7539 -17.7539 -5.4291 -5.4291 7.0119 7.0119 8.3120 8.3120 8.8513 8.8513 13.3822 13.3822 14.1390 14.1390 14.6608 14.6608 15.4496 15.4496 16.5453 16.5453 17.9561 17.9561 18.0566 18.0566 k = 0.5000 0.2887 0.2036 ( 3006 PWs) bands (ev): -41.8025 -41.8025 -41.7828 -41.7828 -18.6921 -18.6921 -18.6435 -18.6435 -18.0393 -18.0393 -18.0016 -18.0016 -17.8317 -17.8317 -17.7519 -17.7519 -5.4287 -5.4287 7.0117 7.0117 8.3130 8.3130 8.8487 8.8487 13.3403 13.3403 14.1398 14.1398 14.6611 14.6611 15.5065 15.5065 16.5687 16.5687 17.9536 17.9536 18.0468 18.0468 k = 0.5000 0.2887 0.1943 ( 3002 PWs) bands (ev): -41.8031 -41.8031 -41.7822 -41.7822 -18.6912 -18.6912 -18.6421 -18.6421 -18.0396 -18.0396 -18.0012 -18.0012 -17.8361 -17.8361 -17.7501 -17.7501 -5.4283 -5.4283 7.0115 7.0115 8.3140 8.3140 8.8460 8.8460 13.2982 13.2982 14.1393 14.1393 14.6631 14.6631 15.5643 15.5643 16.5940 16.5940 17.9514 17.9514 18.0382 18.0382 k = 0.5000 0.2887 0.1851 ( 3006 PWs) bands (ev): -41.8037 -41.8037 -41.7816 -41.7816 -18.6901 -18.6901 -18.6408 -18.6408 -18.0399 -18.0399 -18.0008 -18.0008 -17.8404 -17.8404 -17.7484 -17.7484 -5.4278 -5.4278 7.0113 7.0113 8.3151 8.3151 8.8431 8.8431 13.2562 13.2562 14.1376 14.1376 14.6668 14.6668 15.6226 15.6226 16.6209 16.6209 17.9494 17.9494 18.0308 18.0308 k = 0.5000 0.2887 0.1758 ( 3006 PWs) bands (ev): -41.8043 -41.8043 -41.7811 -41.7811 -18.6890 -18.6890 -18.6395 -18.6395 -18.0402 -18.0402 -18.0005 -18.0005 -17.8448 -17.8448 -17.7469 -17.7469 -5.4273 -5.4273 7.0110 7.0110 8.3163 8.3163 8.8402 8.8402 13.2148 13.2148 14.1349 14.1349 14.6720 14.6720 15.6810 15.6810 16.6493 16.6493 17.9478 17.9478 18.0247 18.0247 k = 0.5000 0.2887 0.1666 ( 3004 PWs) bands (ev): -41.8048 -41.8048 -41.7805 -41.7805 -18.6877 -18.6877 -18.6383 -18.6383 -18.0404 -18.0404 -18.0001 -18.0001 -17.8491 -17.8491 -17.7455 -17.7455 -5.4269 -5.4269 7.0108 7.0108 8.3174 8.3174 8.8372 8.8372 13.1742 13.1742 14.1312 14.1312 14.6784 14.6784 15.7391 15.7391 16.6791 16.6791 17.9467 17.9467 18.0197 18.0197 k = 0.5000 0.2887 0.1573 ( 3000 PWs) bands (ev): -41.8054 -41.8054 -41.7800 -41.7800 -18.6863 -18.6863 -18.6372 -18.6372 -18.0405 -18.0405 -17.9998 -17.9998 -17.8533 -17.8533 -17.7442 -17.7442 -5.4264 -5.4264 7.0105 7.0105 8.3187 8.3187 8.8342 8.8342 13.1346 13.1346 14.1269 14.1269 14.6858 14.6858 15.7968 15.7968 16.7100 16.7100 17.9461 17.9461 18.0160 18.0160 k = 0.5000 0.2887 0.1481 ( 3000 PWs) bands (ev): -41.8059 -41.8059 -41.7794 -41.7794 -18.6847 -18.6847 -18.6362 -18.6362 -18.0406 -18.0406 -17.9995 -17.9995 -17.8574 -17.8574 -17.7431 -17.7431 -5.4259 -5.4259 7.0103 7.0103 8.3199 8.3199 8.8311 8.8311 13.0963 13.0963 14.1219 14.1219 14.6940 14.6940 15.8536 15.8536 16.7419 16.7419 17.9463 17.9463 18.0135 18.0135 k = 0.5000 0.2887 0.1388 ( 3006 PWs) bands (ev): -41.8064 -41.8064 -41.7789 -41.7789 -18.6831 -18.6831 -18.6354 -18.6354 -18.0406 -18.0406 -17.9992 -17.9992 -17.8615 -17.8615 -17.7421 -17.7421 -5.4254 -5.4254 7.0101 7.0101 8.3211 8.3211 8.8281 8.8281 13.0594 13.0594 14.1166 14.1166 14.7028 14.7028 15.9094 15.9094 16.7744 16.7744 17.9472 17.9472 18.0121 18.0121 k = 0.5000 0.2887 0.1296 ( 3006 PWs) bands (ev): -41.8069 -41.8069 -41.7785 -41.7785 -18.6813 -18.6813 -18.6347 -18.6347 -18.0405 -18.0405 -17.9989 -17.9989 -17.8655 -17.8655 -17.7412 -17.7412 -5.4249 -5.4249 7.0098 7.0098 8.3224 8.3224 8.8251 8.8251 13.0242 13.0242 14.1109 14.1109 14.7120 14.7120 15.9637 15.9637 16.8075 16.8075 17.9490 17.9490 18.0118 18.0118 k = 0.5000 0.2887 0.1203 ( 3008 PWs) bands (ev): -41.8073 -41.8073 -41.7780 -41.7780 -18.6795 -18.6795 -18.6341 -18.6341 -18.0405 -18.0405 -17.9985 -17.9985 -17.8693 -17.8693 -17.7404 -17.7404 -5.4244 -5.4244 7.0096 7.0096 8.3236 8.3236 8.8222 8.8222 12.9909 12.9909 14.1051 14.1051 14.7214 14.7214 16.0163 16.0163 16.8407 16.8407 17.9518 17.9518 18.0127 18.0127 k = 0.5000 0.2887 0.1110 ( 3008 PWs) bands (ev): -41.8077 -41.8077 -41.7776 -41.7776 -18.6776 -18.6776 -18.6337 -18.6337 -18.0404 -18.0404 -17.9982 -17.9982 -17.8730 -17.8730 -17.7397 -17.7397 -5.4240 -5.4240 7.0093 7.0093 8.3248 8.3248 8.8194 8.8194 12.9594 12.9594 14.0993 14.0993 14.7308 14.7308 16.0670 16.0670 16.8739 16.8739 17.9557 17.9558 18.0145 18.0145 k = 0.5000 0.2887 0.1018 ( 3004 PWs) bands (ev): -41.8081 -41.8081 -41.7772 -41.7772 -18.6756 -18.6756 -18.6335 -18.6335 -18.0403 -18.0403 -17.9978 -17.9978 -17.8765 -17.8765 -17.7390 -17.7390 -5.4235 -5.4235 7.0091 7.0091 8.3260 8.3260 8.8167 8.8167 12.9301 12.9301 14.0935 14.0935 14.7401 14.7401 16.1154 16.1154 16.9065 16.9065 17.9610 17.9610 18.0174 18.0174 k = 0.5000 0.2887 0.0925 ( 3004 PWs) bands (ev): -41.8085 -41.8085 -41.7768 -41.7768 -18.6736 -18.6736 -18.6335 -18.6335 -18.0401 -18.0401 -17.9974 -17.9974 -17.8799 -17.8799 -17.7385 -17.7385 -5.4231 -5.4231 7.0089 7.0089 8.3271 8.3271 8.8142 8.8142 12.9029 12.9029 14.0880 14.0880 14.7491 14.7491 16.1612 16.1612 16.9384 16.9384 17.9676 17.9676 18.0213 18.0213 k = 0.5000 0.2887 0.0833 ( 3010 PWs) bands (ev): -41.8088 -41.8088 -41.7765 -41.7765 -18.6715 -18.6715 -18.6336 -18.6336 -18.0400 -18.0400 -17.9970 -17.9970 -17.8831 -17.8831 -17.7381 -17.7381 -5.4227 -5.4227 7.0087 7.0087 8.3281 8.3281 8.8118 8.8118 12.8781 12.8781 14.0827 14.0827 14.7577 14.7577 16.2041 16.2041 16.9690 16.9690 17.9758 17.9758 18.0261 18.0261 k = 0.5000 0.2887 0.0740 ( 3016 PWs) bands (ev): -41.8091 -41.8091 -41.7762 -41.7762 -18.6695 -18.6695 -18.6338 -18.6338 -18.0399 -18.0399 -17.9965 -17.9965 -17.8860 -17.8860 -17.7377 -17.7377 -5.4224 -5.4224 7.0085 7.0085 8.3290 8.3290 8.8096 8.8096 12.8556 12.8556 14.0778 14.0778 14.7657 14.7657 16.2438 16.2438 16.9980 16.9980 17.9855 17.9855 18.0318 18.0318 k = 0.5000 0.2887 0.0648 ( 3016 PWs) bands (ev): -41.8094 -41.8094 -41.7759 -41.7759 -18.6675 -18.6675 -18.6342 -18.6342 -18.0397 -18.0397 -17.9961 -17.9961 -17.8887 -17.8887 -17.7373 -17.7373 -5.4220 -5.4220 7.0083 7.0083 8.3299 8.3299 8.8077 8.8077 12.8356 12.8356 14.0733 14.0733 14.7730 14.7730 16.2799 16.2799 17.0250 17.0250 17.9967 17.9967 18.0385 18.0385 k = 0.5000 0.2887 0.0555 ( 3012 PWs) bands (ev): -41.8096 -41.8096 -41.7757 -41.7757 -18.6656 -18.6656 -18.6347 -18.6347 -18.0396 -18.0396 -17.9956 -17.9956 -17.8911 -17.8911 -17.7371 -17.7371 -5.4218 -5.4218 7.0082 7.0082 8.3307 8.3307 8.8059 8.8059 12.8181 12.8181 14.0692 14.0692 14.7796 14.7796 16.3121 16.3121 17.0494 17.0494 18.0095 18.0095 18.0460 18.0460 k = 0.5000 0.2887 0.0463 ( 3008 PWs) bands (ev): -41.8098 -41.8098 -41.7755 -41.7755 -18.6638 -18.6638 -18.6353 -18.6353 -18.0395 -18.0395 -17.9952 -17.9952 -17.8932 -17.8932 -17.7368 -17.7368 -5.4215 -5.4215 7.0081 7.0081 8.3314 8.3314 8.8044 8.8044 12.8032 12.8032 14.0658 14.0658 14.7853 14.7853 16.3400 16.3400 17.0710 17.0710 18.0234 18.0234 18.0543 18.0543 k = 0.5000 0.2887 0.0370 ( 3004 PWs) bands (ev): -41.8100 -41.8100 -41.7753 -41.7753 -18.6621 -18.6621 -18.6360 -18.6360 -18.0395 -18.0395 -17.9948 -17.9948 -17.8949 -17.8949 -17.7367 -17.7367 -5.4213 -5.4213 7.0079 7.0079 8.3319 8.3319 8.8032 8.8032 12.7910 12.7910 14.0628 14.0628 14.7901 14.7901 16.3634 16.3634 17.0892 17.0892 18.0378 18.0378 18.0633 18.0633 k = 0.5000 0.2887 0.0278 ( 3004 PWs) bands (ev): -41.8101 -41.8101 -41.7752 -41.7752 -18.6607 -18.6607 -18.6366 -18.6366 -18.0394 -18.0394 -17.9944 -17.9944 -17.8963 -17.8963 -17.7365 -17.7365 -5.4211 -5.4211 7.0079 7.0079 8.3324 8.3324 8.8022 8.8022 12.7814 12.7814 14.0605 14.0605 14.7939 14.7939 16.3820 16.3820 17.1038 17.1038 18.0519 18.0519 18.0726 18.0726 k = 0.5000 0.2887 0.0185 ( 3000 PWs) bands (ev): -41.8102 -41.8102 -41.7751 -41.7751 -18.6597 -18.6597 -18.6371 -18.6371 -18.0394 -18.0394 -17.9942 -17.9942 -17.8974 -17.8974 -17.7364 -17.7364 -5.4210 -5.4210 7.0078 7.0078 8.3327 8.3327 8.8015 8.8015 12.7746 12.7746 14.0589 14.0589 14.7966 14.7966 16.3954 16.3954 17.1144 17.1144 18.0642 18.0642 18.0814 18.0814 k = 0.5000 0.2887 0.0093 ( 3000 PWs) bands (ev): -41.8103 -41.8103 -41.7751 -41.7751 -18.6590 -18.6590 -18.6374 -18.6374 -18.0393 -18.0393 -17.9940 -17.9940 -17.8980 -17.8980 -17.7364 -17.7364 -5.4210 -5.4210 7.0078 7.0078 8.3329 8.3329 8.8011 8.8011 12.7705 12.7705 14.0579 14.0579 14.7983 14.7983 16.4035 16.4035 17.1209 17.1209 18.0728 18.0728 18.0882 18.0882 k = 0.5000 0.2887-0.0000 ( 3006 PWs) bands (ev): -41.8103 -41.8103 -41.7750 -41.7750 -18.6588 -18.6588 -18.6375 -18.6375 -18.0393 -18.0393 -17.9940 -17.9940 -17.8982 -17.8982 -17.7363 -17.7363 -5.4209 -5.4209 7.0077 7.0077 8.3330 8.3330 8.8010 8.8010 12.7691 12.7691 14.0575 14.0575 14.7988 14.7988 16.4063 16.4063 17.1231 17.1231 18.0759 18.0759 18.0907 18.0907 k = 0.3333 0.5774-0.0000 ( 3006 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6588 -18.6588 -18.6029 -18.6029 -18.0567 -18.0567 -17.9918 -17.9918 -17.9022 -17.9022 -17.8823 -17.8823 -5.3783 -5.3783 7.7233 7.7233 7.7268 7.7268 8.4667 8.4667 13.6279 13.6279 14.1373 14.1373 14.1423 14.1423 16.8483 16.8483 16.8509 16.8509 17.4459 17.4459 17.5546 17.5546 k = 0.3333 0.5774 0.0093 ( 3009 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6588 -18.6588 -18.6030 -18.6030 -18.0569 -18.0569 -17.9920 -17.9920 -17.9021 -17.9021 -17.8819 -17.8819 -5.3783 -5.3783 7.7232 7.7232 7.7266 7.7266 8.4666 8.4666 13.6288 13.6288 14.1381 14.1381 14.1431 14.1431 16.8476 16.8476 16.8502 16.8502 17.4405 17.4405 17.5594 17.5594 k = 0.3333 0.5774 0.0185 ( 3009 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6587 -18.6587 -18.6032 -18.6032 -18.0575 -18.0575 -17.9924 -17.9924 -17.9018 -17.9018 -17.8809 -17.8809 -5.3782 -5.3782 7.7228 7.7228 7.7262 7.7262 8.4661 8.4661 13.6314 13.6314 14.1406 14.1406 14.1456 14.1456 16.8456 16.8456 16.8482 16.8482 17.4265 17.4265 17.5718 17.5718 k = 0.3333 0.5774 0.0278 ( 3003 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6586 -18.6586 -18.6037 -18.6037 -18.0586 -18.0586 -17.9931 -17.9931 -17.9013 -17.9013 -17.8793 -17.8793 -5.3781 -5.3781 7.7221 7.7221 7.7255 7.7255 8.4654 8.4654 13.6357 13.6357 14.1447 14.1447 14.1497 14.1497 16.8422 16.8422 16.8450 16.8450 17.4070 17.4070 17.5885 17.5885 k = 0.3333 0.5774 0.0370 ( 3003 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6585 -18.6585 -18.6044 -18.6044 -18.0600 -18.0600 -17.9941 -17.9941 -17.9006 -17.9006 -17.8770 -17.8770 -5.3780 -5.3780 7.7211 7.7211 7.7246 7.7246 8.4644 8.4644 13.6418 13.6418 14.1503 14.1503 14.1554 14.1554 16.8374 16.8374 16.8403 16.8403 17.3842 17.3842 17.6075 17.6075 k = 0.3333 0.5774 0.0463 ( 2994 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6583 -18.6583 -18.6052 -18.6052 -18.0618 -18.0618 -17.9952 -17.9952 -17.8997 -17.8997 -17.8742 -17.8742 -5.3779 -5.3779 7.7198 7.7198 7.7234 7.7234 8.4631 8.4631 13.6494 13.6494 14.1576 14.1576 14.1627 14.1627 16.8312 16.8312 16.8344 16.8344 17.3591 17.3591 17.6278 17.6278 k = 0.3333 0.5774 0.0555 ( 2994 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6581 -18.6581 -18.6062 -18.6062 -18.0638 -18.0638 -17.9966 -17.9966 -17.8986 -17.8986 -17.8710 -17.8710 -5.3777 -5.3777 7.7183 7.7183 7.7219 7.7219 8.4616 8.4616 13.6588 13.6588 14.1664 14.1664 14.1716 14.1716 16.8237 16.8237 16.8271 16.8271 17.3322 17.3322 17.6489 17.6489 k = 0.3333 0.5774 0.0648 ( 2994 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6579 -18.6579 -18.6074 -18.6074 -18.0661 -18.0661 -17.9982 -17.9982 -17.8973 -17.8973 -17.8674 -17.8674 -5.3775 -5.3775 7.7166 7.7166 7.7203 7.7203 8.4598 8.4598 13.6696 13.6696 14.1767 14.1767 14.1819 14.1819 16.8148 16.8148 16.8185 16.8185 17.3037 17.3037 17.6709 17.6709 k = 0.3333 0.5774 0.0740 ( 3000 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6576 -18.6576 -18.6087 -18.6087 -18.0686 -18.0686 -17.9999 -17.9999 -17.8959 -17.8959 -17.8634 -17.8634 -5.3772 -5.3772 7.7146 7.7146 7.7184 7.7184 8.4578 8.4578 13.6820 13.6820 14.1884 14.1884 14.1937 14.1937 16.8045 16.8045 16.8086 16.8086 17.2738 17.2738 17.6934 17.6934 k = 0.3333 0.5774 0.0833 ( 2997 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6573 -18.6573 -18.6101 -18.6101 -18.0713 -18.0713 -18.0018 -18.0018 -17.8944 -17.8944 -17.8592 -17.8592 -5.3770 -5.3770 7.7124 7.7124 7.7163 7.7163 8.4556 8.4556 13.6958 13.6958 14.2014 14.2014 14.2069 14.2069 16.7929 16.7929 16.7973 16.7973 17.2426 17.2426 17.7167 17.7167 k = 0.3333 0.5774 0.0925 ( 3006 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6570 -18.6570 -18.6116 -18.6116 -18.0740 -18.0740 -18.0037 -18.0037 -17.8927 -17.8927 -17.8548 -17.8548 -5.3767 -5.3767 7.7101 7.7101 7.7140 7.7140 8.4531 8.4531 13.7110 13.7110 14.2158 14.2158 14.2213 14.2213 16.7799 16.7799 16.7847 16.7847 17.2102 17.2102 17.7407 17.7407 k = 0.3333 0.5774 0.1018 ( 3021 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6566 -18.6566 -18.6133 -18.6133 -18.0769 -18.0769 -18.0058 -18.0058 -17.8909 -17.8909 -17.8502 -17.8502 -5.3764 -5.3764 7.7075 7.7075 7.7116 7.7116 8.4505 8.4505 13.7274 13.7274 14.2313 14.2313 14.2369 14.2369 16.7657 16.7657 16.7709 16.7709 17.1767 17.1767 17.7653 17.7653 k = 0.3333 0.5774 0.1110 ( 3021 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6563 -18.6563 -18.6150 -18.6150 -18.0797 -18.0797 -18.0080 -18.0080 -17.8890 -17.8890 -17.8455 -17.8455 -5.3760 -5.3760 7.7049 7.7049 7.7090 7.7090 8.4478 8.4478 13.7450 13.7450 14.2480 14.2480 14.2537 14.2537 16.7503 16.7503 16.7559 16.7559 17.1423 17.1423 17.7907 17.7907 k = 0.3333 0.5774 0.1203 ( 3021 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6559 -18.6559 -18.6168 -18.6168 -18.0825 -18.0825 -18.0102 -18.0102 -17.8870 -17.8870 -17.8409 -17.8409 -5.3757 -5.3757 7.7021 7.7021 7.7064 7.7064 8.4450 8.4450 13.7636 13.7636 14.2656 14.2656 14.2715 14.2715 16.7337 16.7337 16.7397 16.7397 17.1071 17.1071 17.8168 17.8168 k = 0.3333 0.5774 0.1296 ( 3021 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6555 -18.6555 -18.6187 -18.6187 -18.0852 -18.0852 -18.0125 -18.0125 -17.8850 -17.8850 -17.8362 -17.8362 -5.3753 -5.3753 7.6993 7.6993 7.7036 7.7036 8.4421 8.4421 13.7831 13.7831 14.2842 14.2842 14.2901 14.2901 16.7160 16.7160 16.7225 16.7225 17.0713 17.0713 17.8436 17.8436 k = 0.3333 0.5774 0.1388 ( 3015 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6551 -18.6551 -18.6206 -18.6206 -18.0879 -18.0879 -18.0148 -18.0148 -17.8830 -17.8830 -17.8315 -17.8315 -5.3750 -5.3750 7.6963 7.6963 7.7008 7.7008 8.4391 8.4391 13.8034 13.8034 14.3035 14.3035 14.3096 14.3096 16.6975 16.6975 16.7043 16.7043 17.0350 17.0350 17.8710 17.8710 k = 0.3333 0.5774 0.1481 ( 3015 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6548 -18.6548 -18.6225 -18.6225 -18.0904 -18.0904 -18.0172 -18.0172 -17.8809 -17.8809 -17.8270 -17.8270 -5.3746 -5.3746 7.6934 7.6934 7.6980 7.6980 8.4361 8.4361 13.8243 13.8243 14.3234 14.3234 14.3296 14.3296 16.6781 16.6781 16.6853 16.6853 16.9984 16.9984 17.8991 17.8991 k = 0.3333 0.5774 0.1573 ( 3015 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6544 -18.6544 -18.6244 -18.6244 -18.0929 -18.0929 -18.0196 -18.0196 -17.8788 -17.8788 -17.8225 -17.8225 -5.3742 -5.3742 7.6904 7.6904 7.6951 7.6951 8.4331 8.4331 13.8457 13.8457 14.3437 14.3437 14.3501 14.3501 16.6580 16.6580 16.6656 16.6656 16.9619 16.9619 17.9275 17.9275 k = 0.3333 0.5774 0.1666 ( 3015 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6540 -18.6540 -18.6262 -18.6262 -18.0951 -18.0951 -18.0220 -18.0220 -17.8768 -17.8768 -17.8182 -17.8182 -5.3739 -5.3739 7.6874 7.6874 7.6923 7.6923 8.4300 8.4300 13.8674 13.8674 14.3644 14.3644 14.3709 14.3709 16.6374 16.6374 16.6454 16.6454 16.9255 16.9255 17.9561 17.9561 k = 0.3333 0.5774 0.1758 ( 3012 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6536 -18.6536 -18.6281 -18.6281 -18.0972 -18.0972 -18.0244 -18.0244 -17.8748 -17.8748 -17.8140 -17.8140 -5.3735 -5.3735 7.6845 7.6845 7.6895 7.6895 8.4271 8.4271 13.8891 13.8891 14.3852 14.3852 14.3918 14.3918 16.6166 16.6166 16.6249 16.6249 16.8896 16.8896 17.9837 17.9839 k = 0.3333 0.5774 0.1851 ( 3030 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6533 -18.6533 -18.6299 -18.6299 -18.0992 -18.0992 -18.0268 -18.0268 -17.8728 -17.8728 -17.8101 -17.8101 -5.3731 -5.3731 7.6817 7.6817 7.6867 7.6867 8.4242 8.4242 13.9108 13.9108 14.4059 14.4059 14.4127 14.4127 16.5956 16.5956 16.6042 16.6042 16.8545 16.8545 18.0075 18.0075 k = 0.3333 0.5774 0.1943 ( 3030 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6530 -18.6530 -18.6316 -18.6316 -18.1009 -18.1009 -18.0291 -18.0291 -17.8709 -17.8709 -17.8063 -17.8063 -5.3728 -5.3728 7.6790 7.6790 7.6841 7.6841 8.4214 8.4214 13.9321 13.9321 14.4264 14.4264 14.4333 14.4333 16.5747 16.5747 16.5837 16.5837 16.8203 16.8203 18.0241 18.0247 k = 0.3333 0.5774 0.2036 ( 3027 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6526 -18.6526 -18.6332 -18.6332 -18.1025 -18.1025 -18.0313 -18.0313 -17.8691 -17.8691 -17.8028 -17.8028 -5.3725 -5.3725 7.6763 7.6763 7.6816 7.6816 8.4187 8.4187 13.9529 13.9529 14.4464 14.4464 14.4535 14.4535 16.5542 16.5542 16.5635 16.5635 16.7874 16.7874 18.0356 18.0356 k = 0.3333 0.5774 0.2128 ( 3027 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6523 -18.6523 -18.6348 -18.6348 -18.1039 -18.1039 -18.0335 -18.0335 -17.8674 -17.8674 -17.7995 -17.7995 -5.3722 -5.3722 7.6739 7.6739 7.6792 7.6792 8.4162 8.4162 13.9730 13.9730 14.4657 14.4657 14.4729 14.4729 16.5343 16.5343 16.5438 16.5438 16.7561 16.7561 18.0434 18.0449 k = 0.3333 0.5774 0.2221 ( 3027 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6521 -18.6521 -18.6362 -18.6362 -18.1051 -18.1051 -18.0355 -18.0355 -17.8659 -17.8659 -17.7965 -17.7965 -5.3719 -5.3719 7.6716 7.6716 7.6770 7.6770 8.4139 8.4139 13.9921 13.9921 14.4841 14.4841 14.4915 14.4915 16.5152 16.5152 16.5250 16.5250 16.7266 16.7266 18.0500 18.0517 k = 0.3333 0.5774 0.2313 ( 3021 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6518 -18.6518 -18.6375 -18.6375 -18.1062 -18.1062 -18.0374 -18.0374 -17.8644 -17.8644 -17.7938 -17.7938 -5.3716 -5.3716 7.6694 7.6694 7.6750 7.6750 8.4117 8.4117 14.0100 14.0100 14.5014 14.5014 14.5089 14.5089 16.4972 16.4972 16.5073 16.5073 16.6993 16.6993 18.0568 18.0572 k = 0.3333 0.5774 0.2406 ( 3003 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6516 -18.6516 -18.6387 -18.6387 -18.1070 -18.1070 -18.0392 -18.0392 -17.8631 -17.8631 -17.7914 -17.7914 -5.3714 -5.3714 7.6675 7.6675 7.6731 7.6731 8.4098 8.4098 14.0264 14.0264 14.5173 14.5173 14.5249 14.5249 16.4806 16.4806 16.4909 16.4909 16.6744 16.6744 18.0627 18.0632 k = 0.3333 0.5774 0.2498 ( 3003 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6514 -18.6514 -18.6398 -18.6398 -18.1078 -18.1078 -18.0408 -18.0408 -17.8620 -17.8620 -17.7892 -17.7892 -5.3711 -5.3711 7.6658 7.6658 7.6715 7.6715 8.4080 8.4080 14.0412 14.0412 14.5317 14.5317 14.5393 14.5393 16.4656 16.4656 16.4761 16.4761 16.6522 16.6522 18.0685 18.0695 k = 0.3333 0.5774 0.2591 ( 3003 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6512 -18.6512 -18.6407 -18.6407 -18.1084 -18.1084 -18.0421 -18.0421 -17.8610 -17.8610 -17.7874 -17.7874 -5.3710 -5.3710 7.6644 7.6644 7.6701 7.6701 8.4066 8.4066 14.0541 14.0541 14.5442 14.5442 14.5520 14.5520 16.4525 16.4525 16.4631 16.4631 16.6329 16.6329 18.0737 18.0775 k = 0.3333 0.5774 0.2684 ( 2997 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6511 -18.6511 -18.6414 -18.6414 -18.1089 -18.1089 -18.0433 -18.0433 -17.8601 -17.8601 -17.7859 -17.7859 -5.3708 -5.3708 7.6631 7.6631 7.6689 7.6689 8.4053 8.4053 14.0650 14.0650 14.5548 14.5548 14.5626 14.5626 16.4414 16.4414 16.4521 16.4521 16.6168 16.6168 18.0772 18.0810 k = 0.3333 0.5774 0.2776 ( 3006 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6510 -18.6510 -18.6420 -18.6420 -18.1092 -18.1092 -18.0442 -18.0442 -17.8595 -17.8595 -17.7847 -17.7847 -5.3707 -5.3707 7.6622 7.6622 7.6680 7.6680 8.4044 8.4044 14.0736 14.0736 14.5632 14.5632 14.5711 14.5711 16.4325 16.4325 16.4434 16.4434 16.6041 16.6041 18.0803 18.0831 k = 0.3333 0.5774 0.2869 ( 3012 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6509 -18.6509 -18.6424 -18.6424 -18.1095 -18.1095 -18.0449 -18.0449 -17.8590 -17.8590 -17.7839 -17.7839 -5.3706 -5.3706 7.6615 7.6615 7.6673 7.6673 8.4037 8.4037 14.0799 14.0799 14.5693 14.5693 14.5773 14.5773 16.4261 16.4261 16.4370 16.4370 16.5949 16.5949 18.0829 18.0855 k = 0.3333 0.5774 0.2961 ( 3012 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6509 -18.6509 -18.6427 -18.6427 -18.1096 -18.1096 -18.0453 -18.0453 -17.8587 -17.8587 -17.7834 -17.7834 -5.3705 -5.3705 7.6611 7.6611 7.6669 7.6669 8.4032 8.4032 14.0837 14.0837 14.5730 14.5730 14.5810 14.5810 16.4222 16.4222 16.4331 16.4331 16.5893 16.5893 18.0843 18.0846 k = 0.3333 0.5774 0.3054 ( 3006 PWs) bands (ev): -41.7838 -41.7838 -41.7838 -41.7838 -18.6509 -18.6509 -18.6428 -18.6428 -18.1097 -18.1097 -18.0454 -18.0454 -17.8587 -17.8587 -17.7832 -17.7832 -5.3705 -5.3705 7.6609 7.6609 7.6668 7.6668 8.4031 8.4031 14.0849 14.0849 14.5742 14.5742 14.5822 14.5822 16.4209 16.4209 16.4319 16.4319 16.5874 16.5874 18.0846 18.0847 Writing output data file Ti2O.save init_run : 0.08s CPU 0.20s WALL ( 1 calls) electrons : 192.54s CPU 196.43s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.01s CPU 0.04s WALL ( 1 calls) Called by electrons: c_bands : 192.53s CPU 196.42s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.02s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 446 calls) cegterg : 186.38s CPU 189.73s WALL ( 1035 calls) Called by sum_band: Called by *egterg: h_psi : 77.43s CPU 80.66s WALL ( 19561 calls) s_psi : 1.57s CPU 1.70s WALL ( 19561 calls) g_psi : 0.35s CPU 0.34s WALL ( 18080 calls) cdiaghg : 92.52s CPU 92.95s WALL ( 18526 calls) cegterg:over : 7.48s CPU 7.28s WALL ( 18080 calls) cegterg:upda : 5.26s CPU 5.18s WALL ( 18080 calls) cegterg:last : 2.88s CPU 3.06s WALL ( 2877 calls) cdiaghg:chol : 4.40s CPU 4.73s WALL ( 18526 calls) cdiaghg:inve : 2.68s CPU 2.83s WALL ( 18526 calls) cdiaghg:para : 5.08s CPU 5.12s WALL ( 37052 calls) Called by h_psi: h_psi:vloc : 67.71s CPU 70.28s WALL ( 19561 calls) h_psi:vnl : 9.54s CPU 10.16s WALL ( 19561 calls) add_vuspsi : 4.97s CPU 5.41s WALL ( 19561 calls) General routines calbec : 4.52s CPU 4.71s WALL ( 19561 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 63.11s CPU 65.71s WALL ( 1392692 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.16s CPU 0.22s WALL ( 892 calls) Parallel routines fft_scatter : 31.52s CPU 33.06s WALL ( 1392715 calls) PWSCF : 3m25.64s CPU 3m46.95s WALL This run was terminated on: 21: 7:43 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=