Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 18:56:45 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: ./MgxHOx2.save/ file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 24 15 4 840 395 66 Max 26 16 5 843 410 73 Sum 877 547 163 30279 14507 2465 bravais-lattice index = 14 lattice parameter (alat) = 5.7574 a.u. unit-cell volume = 236.2733 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 24.00 number of Kohn-Sham states= 32 kinetic-energy cutoff = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.757428 celldm(2)= 1.000000 celldm(3)= 1.429547 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 1.429547 ) 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 0.699522 ) 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 H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Mg read from file: /users/gautes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) Mg 10.00 24.30500 Mg( 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= 448 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 2) = ( 0.0083333 0.0048113 -0.0000000), wk = 0.0022321 k( 3) = ( 0.0166667 0.0096225 -0.0000000), wk = 0.0022321 k( 4) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0022321 k( 5) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0022321 k( 6) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0022321 k( 7) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0022321 k( 8) = ( 0.0583333 0.0336788 -0.0000000), wk = 0.0022321 k( 9) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0022321 k( 10) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0022321 k( 11) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0022321 k( 12) = ( 0.0916667 0.0529238 -0.0000000), wk = 0.0022321 k( 13) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0022321 k( 14) = ( 0.1083333 0.0625463 -0.0000000), wk = 0.0022321 k( 15) = ( 0.1166667 0.0673575 -0.0000000), wk = 0.0022321 k( 16) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0022321 k( 17) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0022321 k( 18) = ( 0.1416667 0.0817913 -0.0000000), wk = 0.0022321 k( 19) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0022321 k( 20) = ( 0.1583333 0.0914138 -0.0000000), wk = 0.0022321 k( 21) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0022321 k( 22) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0022321 k( 23) = ( 0.1833333 0.1058475 -0.0000000), wk = 0.0022321 k( 24) = ( 0.1916667 0.1106588 -0.0000000), wk = 0.0022321 k( 25) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0022321 k( 26) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0022321 k( 27) = ( 0.2166667 0.1250926 -0.0000000), wk = 0.0022321 k( 28) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0022321 k( 29) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0022321 k( 30) = ( 0.2416667 0.1395263 -0.0000000), wk = 0.0022321 k( 31) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0022321 k( 32) = ( 0.2583333 0.1491488 -0.0000000), wk = 0.0022321 k( 33) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0022321 k( 34) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0022321 k( 35) = ( 0.2833333 0.1635826 -0.0000000), wk = 0.0022321 k( 36) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0022321 k( 37) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0022321 k( 38) = ( 0.3083333 0.1780163 -0.0000000), wk = 0.0022321 k( 39) = ( 0.3166667 0.1828276 -0.0000000), wk = 0.0022321 k( 40) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0022321 k( 41) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0022321 k( 42) = ( 0.3416667 0.1972613 -0.0000000), wk = 0.0022321 k( 43) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0022321 k( 44) = ( 0.3583333 0.2068838 -0.0000000), wk = 0.0022321 k( 45) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0022321 k( 46) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0022321 k( 47) = ( 0.3833333 0.2213176 -0.0000000), wk = 0.0022321 k( 48) = ( 0.3916667 0.2261289 -0.0000000), wk = 0.0022321 k( 49) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0022321 k( 50) = ( 0.4083333 0.2357514 -0.0000000), wk = 0.0022321 k( 51) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0022321 k( 52) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0022321 k( 53) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0022321 k( 54) = ( 0.4416667 0.2549964 -0.0000000), wk = 0.0022321 k( 55) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0022321 k( 56) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0022321 k( 57) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0022321 k( 58) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0022321 k( 59) = ( 0.4833333 0.2790526 -0.0000000), wk = 0.0022321 k( 60) = ( 0.4916667 0.2838639 -0.0000000), wk = 0.0022321 k( 61) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022321 k( 62) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022321 k( 63) = ( 0.4952381 0.2969230 -0.0000000), wk = 0.0022321 k( 64) = ( 0.4904762 0.3051709 -0.0000000), wk = 0.0022321 k( 65) = ( 0.4857143 0.3134187 -0.0000000), wk = 0.0022321 k( 66) = ( 0.4809524 0.3216666 -0.0000000), wk = 0.0022321 k( 67) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0022321 k( 68) = ( 0.4714286 0.3381623 -0.0000000), wk = 0.0022321 k( 69) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0022321 k( 70) = ( 0.4619048 0.3546580 -0.0000000), wk = 0.0022321 k( 71) = ( 0.4571429 0.3629059 -0.0000000), wk = 0.0022321 k( 72) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0022321 k( 73) = ( 0.4476191 0.3794016 -0.0000000), wk = 0.0022321 k( 74) = ( 0.4428571 0.3876495 -0.0000000), wk = 0.0022321 k( 75) = ( 0.4380952 0.3958973 -0.0000000), wk = 0.0022321 k( 76) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0022321 k( 77) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0022321 k( 78) = ( 0.4238095 0.4206409 -0.0000000), wk = 0.0022321 k( 79) = ( 0.4190476 0.4288888 -0.0000000), wk = 0.0022321 k( 80) = ( 0.4142857 0.4371366 -0.0000000), wk = 0.0022321 k( 81) = ( 0.4095238 0.4453845 -0.0000000), wk = 0.0022321 k( 82) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0022321 k( 83) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0022321 k( 84) = ( 0.3952381 0.4701281 -0.0000000), wk = 0.0022321 k( 85) = ( 0.3904762 0.4783759 -0.0000000), wk = 0.0022321 k( 86) = ( 0.3857143 0.4866238 -0.0000000), wk = 0.0022321 k( 87) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0022321 k( 88) = ( 0.3761905 0.5031195 -0.0000000), wk = 0.0022321 k( 89) = ( 0.3714286 0.5113674 -0.0000000), wk = 0.0022321 k( 90) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0022321 k( 91) = ( 0.3619048 0.5278631 -0.0000000), wk = 0.0022321 k( 92) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0022321 k( 93) = ( 0.3523810 0.5443588 -0.0000000), wk = 0.0022321 k( 94) = ( 0.3476190 0.5526067 -0.0000000), wk = 0.0022321 k( 95) = ( 0.3428571 0.5608545 -0.0000000), wk = 0.0022321 k( 96) = ( 0.3380952 0.5691024 -0.0000000), wk = 0.0022321 k( 97) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022321 k( 98) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022321 k( 99) = ( 0.3285024 0.5689829 -0.0000000), wk = 0.0022321 k( 100) = ( 0.3236715 0.5606155 -0.0000000), wk = 0.0022321 k( 101) = ( 0.3188406 0.5522481 -0.0000000), wk = 0.0022321 k( 102) = ( 0.3140097 0.5438807 -0.0000000), wk = 0.0022321 k( 103) = ( 0.3091787 0.5355133 -0.0000000), wk = 0.0022321 k( 104) = ( 0.3043478 0.5271459 -0.0000000), wk = 0.0022321 k( 105) = ( 0.2995169 0.5187785 -0.0000000), wk = 0.0022321 k( 106) = ( 0.2946860 0.5104111 -0.0000000), wk = 0.0022321 k( 107) = ( 0.2898551 0.5020437 -0.0000000), wk = 0.0022321 k( 108) = ( 0.2850241 0.4936763 -0.0000000), wk = 0.0022321 k( 109) = ( 0.2801932 0.4853089 -0.0000000), wk = 0.0022321 k( 110) = ( 0.2753623 0.4769415 -0.0000000), wk = 0.0022321 k( 111) = ( 0.2705314 0.4685741 -0.0000000), wk = 0.0022321 k( 112) = ( 0.2657005 0.4602067 -0.0000000), wk = 0.0022321 k( 113) = ( 0.2608696 0.4518393 -0.0000000), wk = 0.0022321 k( 114) = ( 0.2560386 0.4434720 -0.0000000), wk = 0.0022321 k( 115) = ( 0.2512077 0.4351046 -0.0000000), wk = 0.0022321 k( 116) = ( 0.2463768 0.4267372 -0.0000000), wk = 0.0022321 k( 117) = ( 0.2415459 0.4183698 -0.0000000), wk = 0.0022321 k( 118) = ( 0.2367150 0.4100024 -0.0000000), wk = 0.0022321 k( 119) = ( 0.2318841 0.4016350 -0.0000000), wk = 0.0022321 k( 120) = ( 0.2270531 0.3932676 -0.0000000), wk = 0.0022321 k( 121) = ( 0.2222222 0.3849002 -0.0000000), wk = 0.0022321 k( 122) = ( 0.2173913 0.3765328 -0.0000000), wk = 0.0022321 k( 123) = ( 0.2125604 0.3681654 -0.0000000), wk = 0.0022321 k( 124) = ( 0.2077295 0.3597980 -0.0000000), wk = 0.0022321 k( 125) = ( 0.2028986 0.3514306 -0.0000000), wk = 0.0022321 k( 126) = ( 0.1980676 0.3430632 -0.0000000), wk = 0.0022321 k( 127) = ( 0.1932367 0.3346958 -0.0000000), wk = 0.0022321 k( 128) = ( 0.1884058 0.3263284 -0.0000000), wk = 0.0022321 k( 129) = ( 0.1835749 0.3179610 -0.0000000), wk = 0.0022321 k( 130) = ( 0.1787440 0.3095936 -0.0000000), wk = 0.0022321 k( 131) = ( 0.1739130 0.3012262 -0.0000000), wk = 0.0022321 k( 132) = ( 0.1690821 0.2928588 -0.0000000), wk = 0.0022321 k( 133) = ( 0.1642512 0.2844914 -0.0000000), wk = 0.0022321 k( 134) = ( 0.1594203 0.2761240 -0.0000000), wk = 0.0022321 k( 135) = ( 0.1545894 0.2677566 -0.0000000), wk = 0.0022321 k( 136) = ( 0.1497584 0.2593892 -0.0000000), wk = 0.0022321 k( 137) = ( 0.1449275 0.2510219 -0.0000000), wk = 0.0022321 k( 138) = ( 0.1400966 0.2426545 -0.0000000), wk = 0.0022321 k( 139) = ( 0.1352657 0.2342871 -0.0000000), wk = 0.0022321 k( 140) = ( 0.1304348 0.2259197 -0.0000000), wk = 0.0022321 k( 141) = ( 0.1256039 0.2175523 -0.0000000), wk = 0.0022321 k( 142) = ( 0.1207730 0.2091849 -0.0000000), wk = 0.0022321 k( 143) = ( 0.1159420 0.2008175 -0.0000000), wk = 0.0022321 k( 144) = ( 0.1111111 0.1924501 -0.0000000), wk = 0.0022321 k( 145) = ( 0.1062802 0.1840827 -0.0000000), wk = 0.0022321 k( 146) = ( 0.1014493 0.1757153 -0.0000000), wk = 0.0022321 k( 147) = ( 0.0966184 0.1673479 -0.0000000), wk = 0.0022321 k( 148) = ( 0.0917874 0.1589805 -0.0000000), wk = 0.0022321 k( 149) = ( 0.0869565 0.1506131 -0.0000000), wk = 0.0022321 k( 150) = ( 0.0821256 0.1422457 -0.0000000), wk = 0.0022321 k( 151) = ( 0.0772947 0.1338783 -0.0000000), wk = 0.0022321 k( 152) = ( 0.0724638 0.1255109 -0.0000000), wk = 0.0022321 k( 153) = ( 0.0676328 0.1171435 -0.0000000), wk = 0.0022321 k( 154) = ( 0.0628019 0.1087761 -0.0000000), wk = 0.0022321 k( 155) = ( 0.0579710 0.1004087 -0.0000000), wk = 0.0022321 k( 156) = ( 0.0531401 0.0920414 -0.0000000), wk = 0.0022321 k( 157) = ( 0.0483092 0.0836740 -0.0000000), wk = 0.0022321 k( 158) = ( 0.0434783 0.0753066 -0.0000000), wk = 0.0022321 k( 159) = ( 0.0386473 0.0669392 -0.0000000), wk = 0.0022321 k( 160) = ( 0.0338164 0.0585718 -0.0000000), wk = 0.0022321 k( 161) = ( 0.0289855 0.0502044 -0.0000000), wk = 0.0022321 k( 162) = ( 0.0241546 0.0418370 -0.0000000), wk = 0.0022321 k( 163) = ( 0.0193237 0.0334696 -0.0000000), wk = 0.0022321 k( 164) = ( 0.0144928 0.0251022 -0.0000000), wk = 0.0022321 k( 165) = ( 0.0096618 0.0167348 -0.0000000), wk = 0.0022321 k( 166) = ( 0.0048309 0.0083674 -0.0000000), wk = 0.0022321 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 169) = ( 0.0000000 0.0000000 0.0094530), wk = 0.0022321 k( 170) = ( 0.0000000 0.0000000 0.0189060), wk = 0.0022321 k( 171) = ( 0.0000000 0.0000000 0.0283590), wk = 0.0022321 k( 172) = ( 0.0000000 0.0000000 0.0378120), wk = 0.0022321 k( 173) = ( 0.0000000 0.0000000 0.0472650), wk = 0.0022321 k( 174) = ( 0.0000000 0.0000000 0.0567180), wk = 0.0022321 k( 175) = ( 0.0000000 0.0000000 0.0661710), wk = 0.0022321 k( 176) = ( 0.0000000 0.0000000 0.0756240), wk = 0.0022321 k( 177) = ( 0.0000000 0.0000000 0.0850771), wk = 0.0022321 k( 178) = ( 0.0000000 0.0000000 0.0945301), wk = 0.0022321 k( 179) = ( 0.0000000 0.0000000 0.1039831), wk = 0.0022321 k( 180) = ( 0.0000000 0.0000000 0.1134361), wk = 0.0022321 k( 181) = ( 0.0000000 0.0000000 0.1228891), wk = 0.0022321 k( 182) = ( 0.0000000 0.0000000 0.1323421), wk = 0.0022321 k( 183) = ( 0.0000000 0.0000000 0.1417951), wk = 0.0022321 k( 184) = ( 0.0000000 0.0000000 0.1512481), wk = 0.0022321 k( 185) = ( 0.0000000 0.0000000 0.1607011), wk = 0.0022321 k( 186) = ( 0.0000000 0.0000000 0.1701541), wk = 0.0022321 k( 187) = ( 0.0000000 0.0000000 0.1796071), wk = 0.0022321 k( 188) = ( 0.0000000 0.0000000 0.1890601), wk = 0.0022321 k( 189) = ( 0.0000000 0.0000000 0.1985131), wk = 0.0022321 k( 190) = ( 0.0000000 0.0000000 0.2079661), wk = 0.0022321 k( 191) = ( 0.0000000 0.0000000 0.2174191), wk = 0.0022321 k( 192) = ( 0.0000000 0.0000000 0.2268721), wk = 0.0022321 k( 193) = ( 0.0000000 0.0000000 0.2363251), wk = 0.0022321 k( 194) = ( 0.0000000 0.0000000 0.2457782), wk = 0.0022321 k( 195) = ( 0.0000000 0.0000000 0.2552312), wk = 0.0022321 k( 196) = ( 0.0000000 0.0000000 0.2646842), wk = 0.0022321 k( 197) = ( 0.0000000 0.0000000 0.2741372), wk = 0.0022321 k( 198) = ( 0.0000000 0.0000000 0.2835902), wk = 0.0022321 k( 199) = ( 0.0000000 0.0000000 0.2930432), wk = 0.0022321 k( 200) = ( 0.0000000 0.0000000 0.3024962), wk = 0.0022321 k( 201) = ( 0.0000000 0.0000000 0.3119492), wk = 0.0022321 k( 202) = ( 0.0000000 0.0000000 0.3214022), wk = 0.0022321 k( 203) = ( 0.0000000 0.0000000 0.3308552), wk = 0.0022321 k( 204) = ( 0.0000000 0.0000000 0.3403082), wk = 0.0022321 k( 205) = ( 0.0000000 0.0000000 0.3497612), wk = 0.0022321 k( 206) = ( 0.0000000 0.0000000 0.3497612), wk = 0.0022321 k( 207) = ( 0.0083333 0.0048113 0.3497612), wk = 0.0022321 k( 208) = ( 0.0166667 0.0096225 0.3497612), wk = 0.0022321 k( 209) = ( 0.0250000 0.0144338 0.3497612), wk = 0.0022321 k( 210) = ( 0.0333333 0.0192450 0.3497612), wk = 0.0022321 k( 211) = ( 0.0416667 0.0240563 0.3497612), wk = 0.0022321 k( 212) = ( 0.0500000 0.0288675 0.3497612), wk = 0.0022321 k( 213) = ( 0.0583333 0.0336788 0.3497612), wk = 0.0022321 k( 214) = ( 0.0666667 0.0384900 0.3497612), wk = 0.0022321 k( 215) = ( 0.0750000 0.0433013 0.3497612), wk = 0.0022321 k( 216) = ( 0.0833333 0.0481125 0.3497612), wk = 0.0022321 k( 217) = ( 0.0916667 0.0529238 0.3497612), wk = 0.0022321 k( 218) = ( 0.1000000 0.0577350 0.3497612), wk = 0.0022321 k( 219) = ( 0.1083333 0.0625463 0.3497612), wk = 0.0022321 k( 220) = ( 0.1166667 0.0673575 0.3497612), wk = 0.0022321 k( 221) = ( 0.1250000 0.0721688 0.3497612), wk = 0.0022321 k( 222) = ( 0.1333333 0.0769800 0.3497612), wk = 0.0022321 k( 223) = ( 0.1416667 0.0817913 0.3497612), wk = 0.0022321 k( 224) = ( 0.1500000 0.0866025 0.3497612), wk = 0.0022321 k( 225) = ( 0.1583333 0.0914138 0.3497612), wk = 0.0022321 k( 226) = ( 0.1666667 0.0962250 0.3497612), wk = 0.0022321 k( 227) = ( 0.1750000 0.1010363 0.3497612), wk = 0.0022321 k( 228) = ( 0.1833333 0.1058475 0.3497612), wk = 0.0022321 k( 229) = ( 0.1916667 0.1106588 0.3497612), wk = 0.0022321 k( 230) = ( 0.2000000 0.1154701 0.3497612), wk = 0.0022321 k( 231) = ( 0.2083333 0.1202813 0.3497612), wk = 0.0022321 k( 232) = ( 0.2166667 0.1250926 0.3497612), wk = 0.0022321 k( 233) = ( 0.2250000 0.1299038 0.3497612), wk = 0.0022321 k( 234) = ( 0.2333333 0.1347151 0.3497612), wk = 0.0022321 k( 235) = ( 0.2416667 0.1395263 0.3497612), wk = 0.0022321 k( 236) = ( 0.2500000 0.1443376 0.3497612), wk = 0.0022321 k( 237) = ( 0.2583333 0.1491488 0.3497612), wk = 0.0022321 k( 238) = ( 0.2666667 0.1539601 0.3497612), wk = 0.0022321 k( 239) = ( 0.2750000 0.1587713 0.3497612), wk = 0.0022321 k( 240) = ( 0.2833333 0.1635826 0.3497612), wk = 0.0022321 k( 241) = ( 0.2916667 0.1683938 0.3497612), wk = 0.0022321 k( 242) = ( 0.3000000 0.1732051 0.3497612), wk = 0.0022321 k( 243) = ( 0.3083333 0.1780163 0.3497612), wk = 0.0022321 k( 244) = ( 0.3166667 0.1828276 0.3497612), wk = 0.0022321 k( 245) = ( 0.3250000 0.1876388 0.3497612), wk = 0.0022321 k( 246) = ( 0.3333333 0.1924501 0.3497612), wk = 0.0022321 k( 247) = ( 0.3416667 0.1972613 0.3497612), wk = 0.0022321 k( 248) = ( 0.3500000 0.2020726 0.3497612), wk = 0.0022321 k( 249) = ( 0.3583333 0.2068838 0.3497612), wk = 0.0022321 k( 250) = ( 0.3666667 0.2116951 0.3497612), wk = 0.0022321 k( 251) = ( 0.3750000 0.2165064 0.3497612), wk = 0.0022321 k( 252) = ( 0.3833333 0.2213176 0.3497612), wk = 0.0022321 k( 253) = ( 0.3916667 0.2261289 0.3497612), wk = 0.0022321 k( 254) = ( 0.4000000 0.2309401 0.3497612), wk = 0.0022321 k( 255) = ( 0.4083333 0.2357514 0.3497612), wk = 0.0022321 k( 256) = ( 0.4166667 0.2405626 0.3497612), wk = 0.0022321 k( 257) = ( 0.4250000 0.2453739 0.3497612), wk = 0.0022321 k( 258) = ( 0.4333333 0.2501851 0.3497612), wk = 0.0022321 k( 259) = ( 0.4416667 0.2549964 0.3497612), wk = 0.0022321 k( 260) = ( 0.4500000 0.2598076 0.3497612), wk = 0.0022321 k( 261) = ( 0.4583333 0.2646189 0.3497612), wk = 0.0022321 k( 262) = ( 0.4666667 0.2694301 0.3497612), wk = 0.0022321 k( 263) = ( 0.4750000 0.2742414 0.3497612), wk = 0.0022321 k( 264) = ( 0.4833333 0.2790526 0.3497612), wk = 0.0022321 k( 265) = ( 0.4916667 0.2838639 0.3497612), wk = 0.0022321 k( 266) = ( 0.5000000 0.2886751 0.3497612), wk = 0.0022321 k( 267) = ( 0.5000000 0.2886751 0.3497612), wk = 0.0022321 k( 268) = ( 0.4952381 0.2969230 0.3497612), wk = 0.0022321 k( 269) = ( 0.4904762 0.3051709 0.3497612), wk = 0.0022321 k( 270) = ( 0.4857143 0.3134187 0.3497612), wk = 0.0022321 k( 271) = ( 0.4809524 0.3216666 0.3497612), wk = 0.0022321 k( 272) = ( 0.4761905 0.3299144 0.3497612), wk = 0.0022321 k( 273) = ( 0.4714286 0.3381623 0.3497612), wk = 0.0022321 k( 274) = ( 0.4666667 0.3464102 0.3497612), wk = 0.0022321 k( 275) = ( 0.4619048 0.3546580 0.3497612), wk = 0.0022321 k( 276) = ( 0.4571429 0.3629059 0.3497612), wk = 0.0022321 k( 277) = ( 0.4523810 0.3711537 0.3497612), wk = 0.0022321 k( 278) = ( 0.4476191 0.3794016 0.3497612), wk = 0.0022321 k( 279) = ( 0.4428571 0.3876495 0.3497612), wk = 0.0022321 k( 280) = ( 0.4380952 0.3958973 0.3497612), wk = 0.0022321 k( 281) = ( 0.4333333 0.4041452 0.3497612), wk = 0.0022321 k( 282) = ( 0.4285714 0.4123930 0.3497612), wk = 0.0022321 k( 283) = ( 0.4238095 0.4206409 0.3497612), wk = 0.0022321 k( 284) = ( 0.4190476 0.4288888 0.3497612), wk = 0.0022321 k( 285) = ( 0.4142857 0.4371366 0.3497612), wk = 0.0022321 k( 286) = ( 0.4095238 0.4453845 0.3497612), wk = 0.0022321 k( 287) = ( 0.4047619 0.4536324 0.3497612), wk = 0.0022321 k( 288) = ( 0.4000000 0.4618802 0.3497612), wk = 0.0022321 k( 289) = ( 0.3952381 0.4701281 0.3497612), wk = 0.0022321 k( 290) = ( 0.3904762 0.4783759 0.3497612), wk = 0.0022321 k( 291) = ( 0.3857143 0.4866238 0.3497612), wk = 0.0022321 k( 292) = ( 0.3809524 0.4948717 0.3497612), wk = 0.0022321 k( 293) = ( 0.3761905 0.5031195 0.3497612), wk = 0.0022321 k( 294) = ( 0.3714286 0.5113674 0.3497612), wk = 0.0022321 k( 295) = ( 0.3666667 0.5196152 0.3497612), wk = 0.0022321 k( 296) = ( 0.3619048 0.5278631 0.3497612), wk = 0.0022321 k( 297) = ( 0.3571429 0.5361110 0.3497612), wk = 0.0022321 k( 298) = ( 0.3523810 0.5443588 0.3497612), wk = 0.0022321 k( 299) = ( 0.3476190 0.5526067 0.3497612), wk = 0.0022321 k( 300) = ( 0.3428571 0.5608545 0.3497612), wk = 0.0022321 k( 301) = ( 0.3380952 0.5691024 0.3497612), wk = 0.0022321 k( 302) = ( 0.3333333 0.5773503 0.3497612), wk = 0.0022321 k( 303) = ( 0.3333333 0.5773503 0.3497612), wk = 0.0022321 k( 304) = ( 0.3285024 0.5689829 0.3497612), wk = 0.0022321 k( 305) = ( 0.3236715 0.5606155 0.3497612), wk = 0.0022321 k( 306) = ( 0.3188406 0.5522481 0.3497612), wk = 0.0022321 k( 307) = ( 0.3140097 0.5438807 0.3497612), wk = 0.0022321 k( 308) = ( 0.3091787 0.5355133 0.3497612), wk = 0.0022321 k( 309) = ( 0.3043478 0.5271459 0.3497612), wk = 0.0022321 k( 310) = ( 0.2995169 0.5187785 0.3497612), wk = 0.0022321 k( 311) = ( 0.2946860 0.5104111 0.3497612), wk = 0.0022321 k( 312) = ( 0.2898551 0.5020437 0.3497612), wk = 0.0022321 k( 313) = ( 0.2850241 0.4936763 0.3497612), wk = 0.0022321 k( 314) = ( 0.2801932 0.4853089 0.3497612), wk = 0.0022321 k( 315) = ( 0.2753623 0.4769415 0.3497612), wk = 0.0022321 k( 316) = ( 0.2705314 0.4685741 0.3497612), wk = 0.0022321 k( 317) = ( 0.2657005 0.4602067 0.3497612), wk = 0.0022321 k( 318) = ( 0.2608696 0.4518393 0.3497612), wk = 0.0022321 k( 319) = ( 0.2560386 0.4434720 0.3497612), wk = 0.0022321 k( 320) = ( 0.2512077 0.4351046 0.3497612), wk = 0.0022321 k( 321) = ( 0.2463768 0.4267372 0.3497612), wk = 0.0022321 k( 322) = ( 0.2415459 0.4183698 0.3497612), wk = 0.0022321 k( 323) = ( 0.2367150 0.4100024 0.3497612), wk = 0.0022321 k( 324) = ( 0.2318841 0.4016350 0.3497612), wk = 0.0022321 k( 325) = ( 0.2270531 0.3932676 0.3497612), wk = 0.0022321 k( 326) = ( 0.2222222 0.3849002 0.3497612), wk = 0.0022321 k( 327) = ( 0.2173913 0.3765328 0.3497612), wk = 0.0022321 k( 328) = ( 0.2125604 0.3681654 0.3497612), wk = 0.0022321 k( 329) = ( 0.2077295 0.3597980 0.3497612), wk = 0.0022321 k( 330) = ( 0.2028986 0.3514306 0.3497612), wk = 0.0022321 k( 331) = ( 0.1980676 0.3430632 0.3497612), wk = 0.0022321 k( 332) = ( 0.1932367 0.3346958 0.3497612), wk = 0.0022321 k( 333) = ( 0.1884058 0.3263284 0.3497612), wk = 0.0022321 k( 334) = ( 0.1835749 0.3179610 0.3497612), wk = 0.0022321 k( 335) = ( 0.1787440 0.3095936 0.3497612), wk = 0.0022321 k( 336) = ( 0.1739130 0.3012262 0.3497612), wk = 0.0022321 k( 337) = ( 0.1690821 0.2928588 0.3497612), wk = 0.0022321 k( 338) = ( 0.1642512 0.2844914 0.3497612), wk = 0.0022321 k( 339) = ( 0.1594203 0.2761240 0.3497612), wk = 0.0022321 k( 340) = ( 0.1545894 0.2677566 0.3497612), wk = 0.0022321 k( 341) = ( 0.1497584 0.2593892 0.3497612), wk = 0.0022321 k( 342) = ( 0.1449275 0.2510219 0.3497612), wk = 0.0022321 k( 343) = ( 0.1400966 0.2426545 0.3497612), wk = 0.0022321 k( 344) = ( 0.1352657 0.2342871 0.3497612), wk = 0.0022321 k( 345) = ( 0.1304348 0.2259197 0.3497612), wk = 0.0022321 k( 346) = ( 0.1256039 0.2175523 0.3497612), wk = 0.0022321 k( 347) = ( 0.1207730 0.2091849 0.3497612), wk = 0.0022321 k( 348) = ( 0.1159420 0.2008175 0.3497612), wk = 0.0022321 k( 349) = ( 0.1111111 0.1924501 0.3497612), wk = 0.0022321 k( 350) = ( 0.1062802 0.1840827 0.3497612), wk = 0.0022321 k( 351) = ( 0.1014493 0.1757153 0.3497612), wk = 0.0022321 k( 352) = ( 0.0966184 0.1673479 0.3497612), wk = 0.0022321 k( 353) = ( 0.0917874 0.1589805 0.3497612), wk = 0.0022321 k( 354) = ( 0.0869565 0.1506131 0.3497612), wk = 0.0022321 k( 355) = ( 0.0821256 0.1422457 0.3497612), wk = 0.0022321 k( 356) = ( 0.0772947 0.1338783 0.3497612), wk = 0.0022321 k( 357) = ( 0.0724638 0.1255109 0.3497612), wk = 0.0022321 k( 358) = ( 0.0676328 0.1171435 0.3497612), wk = 0.0022321 k( 359) = ( 0.0628019 0.1087761 0.3497612), wk = 0.0022321 k( 360) = ( 0.0579710 0.1004087 0.3497612), wk = 0.0022321 k( 361) = ( 0.0531401 0.0920414 0.3497612), wk = 0.0022321 k( 362) = ( 0.0483092 0.0836740 0.3497612), wk = 0.0022321 k( 363) = ( 0.0434783 0.0753066 0.3497612), wk = 0.0022321 k( 364) = ( 0.0386473 0.0669392 0.3497612), wk = 0.0022321 k( 365) = ( 0.0338164 0.0585718 0.3497612), wk = 0.0022321 k( 366) = ( 0.0289855 0.0502044 0.3497612), wk = 0.0022321 k( 367) = ( 0.0241546 0.0418370 0.3497612), wk = 0.0022321 k( 368) = ( 0.0193237 0.0334696 0.3497612), wk = 0.0022321 k( 369) = ( 0.0144928 0.0251022 0.3497612), wk = 0.0022321 k( 370) = ( 0.0096618 0.0167348 0.3497612), wk = 0.0022321 k( 371) = ( 0.0048309 0.0083674 0.3497612), wk = 0.0022321 k( 372) = ( 0.0000000 0.0000000 0.3497612), wk = 0.0022321 k( 373) = ( 0.5000000 0.2886751 0.3497612), wk = 0.0022321 k( 374) = ( 0.5000000 0.2886751 0.3403082), wk = 0.0022321 k( 375) = ( 0.5000000 0.2886751 0.3308552), wk = 0.0022321 k( 376) = ( 0.5000000 0.2886751 0.3214022), wk = 0.0022321 k( 377) = ( 0.5000000 0.2886751 0.3119492), wk = 0.0022321 k( 378) = ( 0.5000000 0.2886751 0.3024962), wk = 0.0022321 k( 379) = ( 0.5000000 0.2886751 0.2930432), wk = 0.0022321 k( 380) = ( 0.5000000 0.2886751 0.2835902), wk = 0.0022321 k( 381) = ( 0.5000000 0.2886751 0.2741372), wk = 0.0022321 k( 382) = ( 0.5000000 0.2886751 0.2646842), wk = 0.0022321 k( 383) = ( 0.5000000 0.2886751 0.2552312), wk = 0.0022321 k( 384) = ( 0.5000000 0.2886751 0.2457782), wk = 0.0022321 k( 385) = ( 0.5000000 0.2886751 0.2363251), wk = 0.0022321 k( 386) = ( 0.5000000 0.2886751 0.2268721), wk = 0.0022321 k( 387) = ( 0.5000000 0.2886751 0.2174191), wk = 0.0022321 k( 388) = ( 0.5000000 0.2886751 0.2079661), wk = 0.0022321 k( 389) = ( 0.5000000 0.2886751 0.1985131), wk = 0.0022321 k( 390) = ( 0.5000000 0.2886751 0.1890601), wk = 0.0022321 k( 391) = ( 0.5000000 0.2886751 0.1796071), wk = 0.0022321 k( 392) = ( 0.5000000 0.2886751 0.1701541), wk = 0.0022321 k( 393) = ( 0.5000000 0.2886751 0.1607011), wk = 0.0022321 k( 394) = ( 0.5000000 0.2886751 0.1512481), wk = 0.0022321 k( 395) = ( 0.5000000 0.2886751 0.1417951), wk = 0.0022321 k( 396) = ( 0.5000000 0.2886751 0.1323421), wk = 0.0022321 k( 397) = ( 0.5000000 0.2886751 0.1228891), wk = 0.0022321 k( 398) = ( 0.5000000 0.2886751 0.1134361), wk = 0.0022321 k( 399) = ( 0.5000000 0.2886751 0.1039831), wk = 0.0022321 k( 400) = ( 0.5000000 0.2886751 0.0945301), wk = 0.0022321 k( 401) = ( 0.5000000 0.2886751 0.0850771), wk = 0.0022321 k( 402) = ( 0.5000000 0.2886751 0.0756240), wk = 0.0022321 k( 403) = ( 0.5000000 0.2886751 0.0661710), wk = 0.0022321 k( 404) = ( 0.5000000 0.2886751 0.0567180), wk = 0.0022321 k( 405) = ( 0.5000000 0.2886751 0.0472650), wk = 0.0022321 k( 406) = ( 0.5000000 0.2886751 0.0378120), wk = 0.0022321 k( 407) = ( 0.5000000 0.2886751 0.0283590), wk = 0.0022321 k( 408) = ( 0.5000000 0.2886751 0.0189060), wk = 0.0022321 k( 409) = ( 0.5000000 0.2886751 0.0094530), wk = 0.0022321 k( 410) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0022321 k( 411) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0022321 k( 412) = ( 0.3333333 0.5773503 0.0094530), wk = 0.0022321 k( 413) = ( 0.3333333 0.5773503 0.0189060), wk = 0.0022321 k( 414) = ( 0.3333333 0.5773503 0.0283590), wk = 0.0022321 k( 415) = ( 0.3333333 0.5773503 0.0378120), wk = 0.0022321 k( 416) = ( 0.3333333 0.5773503 0.0472650), wk = 0.0022321 k( 417) = ( 0.3333333 0.5773503 0.0567180), wk = 0.0022321 k( 418) = ( 0.3333333 0.5773503 0.0661710), wk = 0.0022321 k( 419) = ( 0.3333333 0.5773503 0.0756240), wk = 0.0022321 k( 420) = ( 0.3333333 0.5773503 0.0850771), wk = 0.0022321 k( 421) = ( 0.3333333 0.5773503 0.0945301), wk = 0.0022321 k( 422) = ( 0.3333333 0.5773503 0.1039831), wk = 0.0022321 k( 423) = ( 0.3333333 0.5773503 0.1134361), wk = 0.0022321 k( 424) = ( 0.3333333 0.5773503 0.1228891), wk = 0.0022321 k( 425) = ( 0.3333333 0.5773503 0.1323421), wk = 0.0022321 k( 426) = ( 0.3333333 0.5773503 0.1417951), wk = 0.0022321 k( 427) = ( 0.3333333 0.5773503 0.1512481), wk = 0.0022321 k( 428) = ( 0.3333333 0.5773503 0.1607011), wk = 0.0022321 k( 429) = ( 0.3333333 0.5773503 0.1701541), wk = 0.0022321 k( 430) = ( 0.3333333 0.5773503 0.1796071), wk = 0.0022321 k( 431) = ( 0.3333333 0.5773503 0.1890601), wk = 0.0022321 k( 432) = ( 0.3333333 0.5773503 0.1985131), wk = 0.0022321 k( 433) = ( 0.3333333 0.5773503 0.2079661), wk = 0.0022321 k( 434) = ( 0.3333333 0.5773503 0.2174191), wk = 0.0022321 k( 435) = ( 0.3333333 0.5773503 0.2268721), wk = 0.0022321 k( 436) = ( 0.3333333 0.5773503 0.2363251), wk = 0.0022321 k( 437) = ( 0.3333333 0.5773503 0.2457782), wk = 0.0022321 k( 438) = ( 0.3333333 0.5773503 0.2552312), wk = 0.0022321 k( 439) = ( 0.3333333 0.5773503 0.2646842), wk = 0.0022321 k( 440) = ( 0.3333333 0.5773503 0.2741372), wk = 0.0022321 k( 441) = ( 0.3333333 0.5773503 0.2835902), wk = 0.0022321 k( 442) = ( 0.3333333 0.5773503 0.2930432), wk = 0.0022321 k( 443) = ( 0.3333333 0.5773503 0.3024962), wk = 0.0022321 k( 444) = ( 0.3333333 0.5773503 0.3119492), wk = 0.0022321 k( 445) = ( 0.3333333 0.5773503 0.3214022), wk = 0.0022321 k( 446) = ( 0.3333333 0.5773503 0.3308552), wk = 0.0022321 k( 447) = ( 0.3333333 0.5773503 0.3403082), wk = 0.0022321 k( 448) = ( 0.3333333 0.5773503 0.3497612), wk = 0.0022321 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 2) = ( 0.0083333 0.0000000 0.0000000), wk = 0.0022321 k( 3) = ( 0.0166667 0.0000000 0.0000000), wk = 0.0022321 k( 4) = ( 0.0250000 0.0000000 0.0000000), wk = 0.0022321 k( 5) = ( 0.0333333 -0.0000000 0.0000000), wk = 0.0022321 k( 6) = ( 0.0416667 0.0000000 0.0000000), wk = 0.0022321 k( 7) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0022321 k( 8) = ( 0.0583333 0.0000000 0.0000000), wk = 0.0022321 k( 9) = ( 0.0666667 0.0000000 0.0000000), wk = 0.0022321 k( 10) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0022321 k( 11) = ( 0.0833333 0.0000000 0.0000000), wk = 0.0022321 k( 12) = ( 0.0916667 0.0000000 0.0000000), wk = 0.0022321 k( 13) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0022321 k( 14) = ( 0.1083333 -0.0000000 0.0000000), wk = 0.0022321 k( 15) = ( 0.1166667 0.0000000 0.0000000), wk = 0.0022321 k( 16) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0022321 k( 17) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0022321 k( 18) = ( 0.1416667 0.0000000 0.0000000), wk = 0.0022321 k( 19) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0022321 k( 20) = ( 0.1583333 -0.0000000 0.0000000), wk = 0.0022321 k( 21) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0022321 k( 22) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0022321 k( 23) = ( 0.1833333 0.0000000 0.0000000), wk = 0.0022321 k( 24) = ( 0.1916667 0.0000000 0.0000000), wk = 0.0022321 k( 25) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0022321 k( 26) = ( 0.2083333 0.0000000 0.0000000), wk = 0.0022321 k( 27) = ( 0.2166667 0.0000000 0.0000000), wk = 0.0022321 k( 28) = ( 0.2250000 0.0000000 0.0000000), wk = 0.0022321 k( 29) = ( 0.2333333 0.0000000 0.0000000), wk = 0.0022321 k( 30) = ( 0.2416667 -0.0000000 0.0000000), wk = 0.0022321 k( 31) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0022321 k( 32) = ( 0.2583333 0.0000000 0.0000000), wk = 0.0022321 k( 33) = ( 0.2666667 0.0000000 0.0000000), wk = 0.0022321 k( 34) = ( 0.2750000 0.0000000 0.0000000), wk = 0.0022321 k( 35) = ( 0.2833333 0.0000000 0.0000000), wk = 0.0022321 k( 36) = ( 0.2916667 0.0000000 0.0000000), wk = 0.0022321 k( 37) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0022321 k( 38) = ( 0.3083333 -0.0000000 0.0000000), wk = 0.0022321 k( 39) = ( 0.3166667 0.0000000 0.0000000), wk = 0.0022321 k( 40) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0022321 k( 41) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0022321 k( 42) = ( 0.3416667 0.0000000 0.0000000), wk = 0.0022321 k( 43) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0022321 k( 44) = ( 0.3583333 0.0000000 0.0000000), wk = 0.0022321 k( 45) = ( 0.3666667 0.0000000 0.0000000), wk = 0.0022321 k( 46) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0022321 k( 47) = ( 0.3833333 0.0000000 0.0000000), wk = 0.0022321 k( 48) = ( 0.3916667 0.0000000 0.0000000), wk = 0.0022321 k( 49) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0022321 k( 50) = ( 0.4083333 0.0000000 0.0000000), wk = 0.0022321 k( 51) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0022321 k( 52) = ( 0.4250000 0.0000000 0.0000000), wk = 0.0022321 k( 53) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0022321 k( 54) = ( 0.4416667 0.0000000 0.0000000), wk = 0.0022321 k( 55) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0022321 k( 56) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0022321 k( 57) = ( 0.4666667 -0.0000000 0.0000000), wk = 0.0022321 k( 58) = ( 0.4750000 -0.0000000 0.0000000), wk = 0.0022321 k( 59) = ( 0.4833333 0.0000000 0.0000000), wk = 0.0022321 k( 60) = ( 0.4916667 -0.0000000 0.0000000), wk = 0.0022321 k( 61) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022321 k( 62) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022321 k( 63) = ( 0.4952381 0.0095238 0.0000000), wk = 0.0022321 k( 64) = ( 0.4904762 0.0190476 0.0000000), wk = 0.0022321 k( 65) = ( 0.4857143 0.0285714 0.0000000), wk = 0.0022321 k( 66) = ( 0.4809524 0.0380952 0.0000000), wk = 0.0022321 k( 67) = ( 0.4761905 0.0476191 0.0000000), wk = 0.0022321 k( 68) = ( 0.4714286 0.0571429 0.0000000), wk = 0.0022321 k( 69) = ( 0.4666667 0.0666667 0.0000000), wk = 0.0022321 k( 70) = ( 0.4619048 0.0761905 0.0000000), wk = 0.0022321 k( 71) = ( 0.4571429 0.0857143 0.0000000), wk = 0.0022321 k( 72) = ( 0.4523810 0.0952381 0.0000000), wk = 0.0022321 k( 73) = ( 0.4476191 0.1047619 0.0000000), wk = 0.0022321 k( 74) = ( 0.4428571 0.1142857 0.0000000), wk = 0.0022321 k( 75) = ( 0.4380952 0.1238095 0.0000000), wk = 0.0022321 k( 76) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0022321 k( 77) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0022321 k( 78) = ( 0.4238095 0.1523810 0.0000000), wk = 0.0022321 k( 79) = ( 0.4190476 0.1619048 0.0000000), wk = 0.0022321 k( 80) = ( 0.4142857 0.1714286 0.0000000), wk = 0.0022321 k( 81) = ( 0.4095238 0.1809524 0.0000000), wk = 0.0022321 k( 82) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0022321 k( 83) = ( 0.4000000 0.2000000 0.0000000), wk = 0.0022321 k( 84) = ( 0.3952381 0.2095238 -0.0000000), wk = 0.0022321 k( 85) = ( 0.3904762 0.2190476 0.0000000), wk = 0.0022321 k( 86) = ( 0.3857143 0.2285714 0.0000000), wk = 0.0022321 k( 87) = ( 0.3809524 0.2380952 -0.0000000), wk = 0.0022321 k( 88) = ( 0.3761905 0.2476191 0.0000000), wk = 0.0022321 k( 89) = ( 0.3714286 0.2571429 0.0000000), wk = 0.0022321 k( 90) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0022321 k( 91) = ( 0.3619048 0.2761905 0.0000000), wk = 0.0022321 k( 92) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0022321 k( 93) = ( 0.3523810 0.2952381 0.0000000), wk = 0.0022321 k( 94) = ( 0.3476190 0.3047619 0.0000000), wk = 0.0022321 k( 95) = ( 0.3428571 0.3142857 0.0000000), wk = 0.0022321 k( 96) = ( 0.3380952 0.3238095 0.0000000), wk = 0.0022321 k( 97) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0022321 k( 98) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0022321 k( 99) = ( 0.3285024 0.3285024 0.0000000), wk = 0.0022321 k( 100) = ( 0.3236715 0.3236715 0.0000000), wk = 0.0022321 k( 101) = ( 0.3188406 0.3188406 0.0000000), wk = 0.0022321 k( 102) = ( 0.3140097 0.3140097 0.0000000), wk = 0.0022321 k( 103) = ( 0.3091787 0.3091787 -0.0000000), wk = 0.0022321 k( 104) = ( 0.3043478 0.3043478 0.0000000), wk = 0.0022321 k( 105) = ( 0.2995169 0.2995169 0.0000000), wk = 0.0022321 k( 106) = ( 0.2946860 0.2946860 -0.0000000), wk = 0.0022321 k( 107) = ( 0.2898551 0.2898551 0.0000000), wk = 0.0022321 k( 108) = ( 0.2850241 0.2850241 0.0000000), wk = 0.0022321 k( 109) = ( 0.2801932 0.2801932 -0.0000000), wk = 0.0022321 k( 110) = ( 0.2753623 0.2753623 0.0000000), wk = 0.0022321 k( 111) = ( 0.2705314 0.2705314 -0.0000000), wk = 0.0022321 k( 112) = ( 0.2657005 0.2657005 0.0000000), wk = 0.0022321 k( 113) = ( 0.2608696 0.2608696 0.0000000), wk = 0.0022321 k( 114) = ( 0.2560386 0.2560386 -0.0000000), wk = 0.0022321 k( 115) = ( 0.2512077 0.2512077 0.0000000), wk = 0.0022321 k( 116) = ( 0.2463768 0.2463768 0.0000000), wk = 0.0022321 k( 117) = ( 0.2415459 0.2415459 0.0000000), wk = 0.0022321 k( 118) = ( 0.2367150 0.2367150 0.0000000), wk = 0.0022321 k( 119) = ( 0.2318841 0.2318841 0.0000000), wk = 0.0022321 k( 120) = ( 0.2270531 0.2270531 0.0000000), wk = 0.0022321 k( 121) = ( 0.2222222 0.2222222 -0.0000000), wk = 0.0022321 k( 122) = ( 0.2173913 0.2173913 0.0000000), wk = 0.0022321 k( 123) = ( 0.2125604 0.2125604 -0.0000000), wk = 0.0022321 k( 124) = ( 0.2077295 0.2077295 -0.0000000), wk = 0.0022321 k( 125) = ( 0.2028986 0.2028985 0.0000000), wk = 0.0022321 k( 126) = ( 0.1980676 0.1980676 0.0000000), wk = 0.0022321 k( 127) = ( 0.1932367 0.1932367 0.0000000), wk = 0.0022321 k( 128) = ( 0.1884058 0.1884058 0.0000000), wk = 0.0022321 k( 129) = ( 0.1835749 0.1835749 0.0000000), wk = 0.0022321 k( 130) = ( 0.1787440 0.1787440 0.0000000), wk = 0.0022321 k( 131) = ( 0.1739130 0.1739130 0.0000000), wk = 0.0022321 k( 132) = ( 0.1690821 0.1690821 0.0000000), wk = 0.0022321 k( 133) = ( 0.1642512 0.1642512 0.0000000), wk = 0.0022321 k( 134) = ( 0.1594203 0.1594203 0.0000000), wk = 0.0022321 k( 135) = ( 0.1545894 0.1545894 -0.0000000), wk = 0.0022321 k( 136) = ( 0.1497584 0.1497584 -0.0000000), wk = 0.0022321 k( 137) = ( 0.1449275 0.1449275 -0.0000000), wk = 0.0022321 k( 138) = ( 0.1400966 0.1400966 -0.0000000), wk = 0.0022321 k( 139) = ( 0.1352657 0.1352657 -0.0000000), wk = 0.0022321 k( 140) = ( 0.1304348 0.1304348 -0.0000000), wk = 0.0022321 k( 141) = ( 0.1256039 0.1256039 -0.0000000), wk = 0.0022321 k( 142) = ( 0.1207730 0.1207730 0.0000000), wk = 0.0022321 k( 143) = ( 0.1159420 0.1159420 0.0000000), wk = 0.0022321 k( 144) = ( 0.1111111 0.1111111 -0.0000000), wk = 0.0022321 k( 145) = ( 0.1062802 0.1062802 0.0000000), wk = 0.0022321 k( 146) = ( 0.1014493 0.1014493 0.0000000), wk = 0.0022321 k( 147) = ( 0.0966184 0.0966184 0.0000000), wk = 0.0022321 k( 148) = ( 0.0917874 0.0917874 0.0000000), wk = 0.0022321 k( 149) = ( 0.0869565 0.0869565 0.0000000), wk = 0.0022321 k( 150) = ( 0.0821256 0.0821256 0.0000000), wk = 0.0022321 k( 151) = ( 0.0772947 0.0772947 0.0000000), wk = 0.0022321 k( 152) = ( 0.0724638 0.0724638 -0.0000000), wk = 0.0022321 k( 153) = ( 0.0676328 0.0676328 -0.0000000), wk = 0.0022321 k( 154) = ( 0.0628019 0.0628019 -0.0000000), wk = 0.0022321 k( 155) = ( 0.0579710 0.0579710 0.0000000), wk = 0.0022321 k( 156) = ( 0.0531401 0.0531401 0.0000000), wk = 0.0022321 k( 157) = ( 0.0483092 0.0483092 0.0000000), wk = 0.0022321 k( 158) = ( 0.0434783 0.0434783 0.0000000), wk = 0.0022321 k( 159) = ( 0.0386473 0.0386473 0.0000000), wk = 0.0022321 k( 160) = ( 0.0338164 0.0338164 0.0000000), wk = 0.0022321 k( 161) = ( 0.0289855 0.0289855 0.0000000), wk = 0.0022321 k( 162) = ( 0.0241546 0.0241546 0.0000000), wk = 0.0022321 k( 163) = ( 0.0193237 0.0193237 0.0000000), wk = 0.0022321 k( 164) = ( 0.0144928 0.0144928 -0.0000000), wk = 0.0022321 k( 165) = ( 0.0096618 0.0096618 -0.0000000), wk = 0.0022321 k( 166) = ( 0.0048309 0.0048309 -0.0000000), wk = 0.0022321 k( 167) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022321 k( 169) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0022321 k( 170) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0022321 k( 171) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0022321 k( 172) = ( 0.0000000 0.0000000 0.0540540), wk = 0.0022321 k( 173) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0022321 k( 174) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0022321 k( 175) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0022321 k( 176) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0022321 k( 177) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0022321 k( 178) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0022321 k( 179) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0022321 k( 180) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0022321 k( 181) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0022321 k( 182) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0022321 k( 183) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0022321 k( 184) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0022321 k( 185) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0022321 k( 186) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0022321 k( 187) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0022321 k( 188) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0022321 k( 189) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0022321 k( 190) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0022321 k( 191) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0022321 k( 192) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0022321 k( 193) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0022321 k( 194) = ( 0.0000000 0.0000000 0.3513513), wk = 0.0022321 k( 195) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0022321 k( 196) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0022321 k( 197) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0022321 k( 198) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0022321 k( 199) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0022321 k( 200) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0022321 k( 201) = ( 0.0000000 0.0000000 0.4459459), wk = 0.0022321 k( 202) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0022321 k( 203) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0022321 k( 204) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0022321 k( 205) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022321 k( 206) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022321 k( 207) = ( 0.0083333 0.0000000 0.5000000), wk = 0.0022321 k( 208) = ( 0.0166667 0.0000000 0.5000000), wk = 0.0022321 k( 209) = ( 0.0250000 0.0000000 0.5000000), wk = 0.0022321 k( 210) = ( 0.0333333 -0.0000000 0.5000000), wk = 0.0022321 k( 211) = ( 0.0416667 0.0000000 0.5000000), wk = 0.0022321 k( 212) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0022321 k( 213) = ( 0.0583333 0.0000000 0.5000000), wk = 0.0022321 k( 214) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0022321 k( 215) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0022321 k( 216) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0022321 k( 217) = ( 0.0916667 0.0000000 0.5000000), wk = 0.0022321 k( 218) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0022321 k( 219) = ( 0.1083333 -0.0000000 0.5000000), wk = 0.0022321 k( 220) = ( 0.1166667 0.0000000 0.5000000), wk = 0.0022321 k( 221) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0022321 k( 222) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0022321 k( 223) = ( 0.1416667 0.0000000 0.5000000), wk = 0.0022321 k( 224) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0022321 k( 225) = ( 0.1583333 -0.0000000 0.5000000), wk = 0.0022321 k( 226) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0022321 k( 227) = ( 0.1750000 0.0000000 0.5000000), wk = 0.0022321 k( 228) = ( 0.1833333 0.0000000 0.5000000), wk = 0.0022321 k( 229) = ( 0.1916667 0.0000000 0.5000000), wk = 0.0022321 k( 230) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0022321 k( 231) = ( 0.2083333 0.0000000 0.5000000), wk = 0.0022321 k( 232) = ( 0.2166667 0.0000000 0.5000000), wk = 0.0022321 k( 233) = ( 0.2250000 0.0000000 0.5000000), wk = 0.0022321 k( 234) = ( 0.2333333 0.0000000 0.5000000), wk = 0.0022321 k( 235) = ( 0.2416667 -0.0000000 0.5000000), wk = 0.0022321 k( 236) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0022321 k( 237) = ( 0.2583333 0.0000000 0.5000000), wk = 0.0022321 k( 238) = ( 0.2666667 0.0000000 0.5000000), wk = 0.0022321 k( 239) = ( 0.2750000 0.0000000 0.5000000), wk = 0.0022321 k( 240) = ( 0.2833333 0.0000000 0.5000000), wk = 0.0022321 k( 241) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0022321 k( 242) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0022321 k( 243) = ( 0.3083333 -0.0000000 0.5000000), wk = 0.0022321 k( 244) = ( 0.3166667 0.0000000 0.5000000), wk = 0.0022321 k( 245) = ( 0.3250000 0.0000000 0.5000000), wk = 0.0022321 k( 246) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0022321 k( 247) = ( 0.3416667 0.0000000 0.5000000), wk = 0.0022321 k( 248) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0022321 k( 249) = ( 0.3583333 0.0000000 0.5000000), wk = 0.0022321 k( 250) = ( 0.3666667 0.0000000 0.5000000), wk = 0.0022321 k( 251) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0022321 k( 252) = ( 0.3833333 0.0000000 0.5000000), wk = 0.0022321 k( 253) = ( 0.3916667 0.0000000 0.5000000), wk = 0.0022321 k( 254) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0022321 k( 255) = ( 0.4083333 0.0000000 0.5000000), wk = 0.0022321 k( 256) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0022321 k( 257) = ( 0.4250000 0.0000000 0.5000000), wk = 0.0022321 k( 258) = ( 0.4333333 0.0000000 0.5000000), wk = 0.0022321 k( 259) = ( 0.4416667 0.0000000 0.5000000), wk = 0.0022321 k( 260) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0022321 k( 261) = ( 0.4583333 0.0000000 0.5000000), wk = 0.0022321 k( 262) = ( 0.4666667 -0.0000000 0.5000000), wk = 0.0022321 k( 263) = ( 0.4750000 -0.0000000 0.5000000), wk = 0.0022321 k( 264) = ( 0.4833333 0.0000000 0.5000000), wk = 0.0022321 k( 265) = ( 0.4916667 -0.0000000 0.5000000), wk = 0.0022321 k( 266) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022321 k( 267) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022321 k( 268) = ( 0.4952381 0.0095238 0.5000000), wk = 0.0022321 k( 269) = ( 0.4904762 0.0190476 0.5000000), wk = 0.0022321 k( 270) = ( 0.4857143 0.0285714 0.5000000), wk = 0.0022321 k( 271) = ( 0.4809524 0.0380952 0.5000000), wk = 0.0022321 k( 272) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0022321 k( 273) = ( 0.4714286 0.0571429 0.5000000), wk = 0.0022321 k( 274) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0022321 k( 275) = ( 0.4619048 0.0761905 0.5000000), wk = 0.0022321 k( 276) = ( 0.4571429 0.0857143 0.5000000), wk = 0.0022321 k( 277) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0022321 k( 278) = ( 0.4476191 0.1047619 0.5000000), wk = 0.0022321 k( 279) = ( 0.4428571 0.1142857 0.5000000), wk = 0.0022321 k( 280) = ( 0.4380952 0.1238095 0.5000000), wk = 0.0022321 k( 281) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0022321 k( 282) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0022321 k( 283) = ( 0.4238095 0.1523810 0.5000000), wk = 0.0022321 k( 284) = ( 0.4190476 0.1619048 0.5000000), wk = 0.0022321 k( 285) = ( 0.4142857 0.1714286 0.5000000), wk = 0.0022321 k( 286) = ( 0.4095238 0.1809524 0.5000000), wk = 0.0022321 k( 287) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0022321 k( 288) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0022321 k( 289) = ( 0.3952381 0.2095238 0.5000000), wk = 0.0022321 k( 290) = ( 0.3904762 0.2190476 0.5000000), wk = 0.0022321 k( 291) = ( 0.3857143 0.2285714 0.5000000), wk = 0.0022321 k( 292) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0022321 k( 293) = ( 0.3761905 0.2476191 0.5000000), wk = 0.0022321 k( 294) = ( 0.3714286 0.2571429 0.5000000), wk = 0.0022321 k( 295) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0022321 k( 296) = ( 0.3619048 0.2761905 0.5000000), wk = 0.0022321 k( 297) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0022321 k( 298) = ( 0.3523810 0.2952381 0.5000000), wk = 0.0022321 k( 299) = ( 0.3476190 0.3047619 0.5000000), wk = 0.0022321 k( 300) = ( 0.3428571 0.3142857 0.5000000), wk = 0.0022321 k( 301) = ( 0.3380952 0.3238095 0.5000000), wk = 0.0022321 k( 302) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022321 k( 303) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022321 k( 304) = ( 0.3285024 0.3285024 0.5000000), wk = 0.0022321 k( 305) = ( 0.3236715 0.3236715 0.5000000), wk = 0.0022321 k( 306) = ( 0.3188406 0.3188406 0.5000000), wk = 0.0022321 k( 307) = ( 0.3140097 0.3140097 0.5000000), wk = 0.0022321 k( 308) = ( 0.3091787 0.3091787 0.5000000), wk = 0.0022321 k( 309) = ( 0.3043478 0.3043478 0.5000000), wk = 0.0022321 k( 310) = ( 0.2995169 0.2995169 0.5000000), wk = 0.0022321 k( 311) = ( 0.2946860 0.2946860 0.5000000), wk = 0.0022321 k( 312) = ( 0.2898551 0.2898551 0.5000000), wk = 0.0022321 k( 313) = ( 0.2850241 0.2850241 0.5000000), wk = 0.0022321 k( 314) = ( 0.2801932 0.2801932 0.5000000), wk = 0.0022321 k( 315) = ( 0.2753623 0.2753623 0.5000000), wk = 0.0022321 k( 316) = ( 0.2705314 0.2705314 0.5000000), wk = 0.0022321 k( 317) = ( 0.2657005 0.2657005 0.5000000), wk = 0.0022321 k( 318) = ( 0.2608696 0.2608696 0.5000000), wk = 0.0022321 k( 319) = ( 0.2560386 0.2560386 0.5000000), wk = 0.0022321 k( 320) = ( 0.2512077 0.2512077 0.5000000), wk = 0.0022321 k( 321) = ( 0.2463768 0.2463768 0.5000000), wk = 0.0022321 k( 322) = ( 0.2415459 0.2415459 0.5000000), wk = 0.0022321 k( 323) = ( 0.2367150 0.2367150 0.5000000), wk = 0.0022321 k( 324) = ( 0.2318841 0.2318841 0.5000000), wk = 0.0022321 k( 325) = ( 0.2270531 0.2270531 0.5000000), wk = 0.0022321 k( 326) = ( 0.2222222 0.2222222 0.5000000), wk = 0.0022321 k( 327) = ( 0.2173913 0.2173913 0.5000000), wk = 0.0022321 k( 328) = ( 0.2125604 0.2125604 0.5000000), wk = 0.0022321 k( 329) = ( 0.2077295 0.2077295 0.5000000), wk = 0.0022321 k( 330) = ( 0.2028986 0.2028985 0.5000000), wk = 0.0022321 k( 331) = ( 0.1980676 0.1980676 0.5000000), wk = 0.0022321 k( 332) = ( 0.1932367 0.1932367 0.5000000), wk = 0.0022321 k( 333) = ( 0.1884058 0.1884058 0.5000000), wk = 0.0022321 k( 334) = ( 0.1835749 0.1835749 0.5000000), wk = 0.0022321 k( 335) = ( 0.1787440 0.1787440 0.5000000), wk = 0.0022321 k( 336) = ( 0.1739130 0.1739130 0.5000000), wk = 0.0022321 k( 337) = ( 0.1690821 0.1690821 0.5000000), wk = 0.0022321 k( 338) = ( 0.1642512 0.1642512 0.5000000), wk = 0.0022321 k( 339) = ( 0.1594203 0.1594203 0.5000000), wk = 0.0022321 k( 340) = ( 0.1545894 0.1545894 0.5000000), wk = 0.0022321 k( 341) = ( 0.1497584 0.1497584 0.5000000), wk = 0.0022321 k( 342) = ( 0.1449275 0.1449275 0.5000000), wk = 0.0022321 k( 343) = ( 0.1400966 0.1400966 0.5000000), wk = 0.0022321 k( 344) = ( 0.1352657 0.1352657 0.5000000), wk = 0.0022321 k( 345) = ( 0.1304348 0.1304348 0.5000000), wk = 0.0022321 k( 346) = ( 0.1256039 0.1256039 0.5000000), wk = 0.0022321 k( 347) = ( 0.1207730 0.1207730 0.5000000), wk = 0.0022321 k( 348) = ( 0.1159420 0.1159420 0.5000000), wk = 0.0022321 k( 349) = ( 0.1111111 0.1111111 0.5000000), wk = 0.0022321 k( 350) = ( 0.1062802 0.1062802 0.5000000), wk = 0.0022321 k( 351) = ( 0.1014493 0.1014493 0.5000000), wk = 0.0022321 k( 352) = ( 0.0966184 0.0966184 0.5000000), wk = 0.0022321 k( 353) = ( 0.0917874 0.0917874 0.5000000), wk = 0.0022321 k( 354) = ( 0.0869565 0.0869565 0.5000000), wk = 0.0022321 k( 355) = ( 0.0821256 0.0821256 0.5000000), wk = 0.0022321 k( 356) = ( 0.0772947 0.0772947 0.5000000), wk = 0.0022321 k( 357) = ( 0.0724638 0.0724638 0.5000000), wk = 0.0022321 k( 358) = ( 0.0676328 0.0676328 0.5000000), wk = 0.0022321 k( 359) = ( 0.0628019 0.0628019 0.5000000), wk = 0.0022321 k( 360) = ( 0.0579710 0.0579710 0.5000000), wk = 0.0022321 k( 361) = ( 0.0531401 0.0531401 0.5000000), wk = 0.0022321 k( 362) = ( 0.0483092 0.0483092 0.5000000), wk = 0.0022321 k( 363) = ( 0.0434783 0.0434783 0.5000000), wk = 0.0022321 k( 364) = ( 0.0386473 0.0386473 0.5000000), wk = 0.0022321 k( 365) = ( 0.0338164 0.0338164 0.5000000), wk = 0.0022321 k( 366) = ( 0.0289855 0.0289855 0.5000000), wk = 0.0022321 k( 367) = ( 0.0241546 0.0241546 0.5000000), wk = 0.0022321 k( 368) = ( 0.0193237 0.0193237 0.5000000), wk = 0.0022321 k( 369) = ( 0.0144928 0.0144928 0.5000000), wk = 0.0022321 k( 370) = ( 0.0096618 0.0096618 0.5000000), wk = 0.0022321 k( 371) = ( 0.0048309 0.0048309 0.5000000), wk = 0.0022321 k( 372) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022321 k( 373) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022321 k( 374) = ( 0.5000000 0.0000000 0.4864865), wk = 0.0022321 k( 375) = ( 0.5000000 0.0000000 0.4729730), wk = 0.0022321 k( 376) = ( 0.5000000 0.0000000 0.4594595), wk = 0.0022321 k( 377) = ( 0.5000000 0.0000000 0.4459459), wk = 0.0022321 k( 378) = ( 0.5000000 0.0000000 0.4324324), wk = 0.0022321 k( 379) = ( 0.5000000 0.0000000 0.4189189), wk = 0.0022321 k( 380) = ( 0.5000000 0.0000000 0.4054054), wk = 0.0022321 k( 381) = ( 0.5000000 0.0000000 0.3918919), wk = 0.0022321 k( 382) = ( 0.5000000 0.0000000 0.3783784), wk = 0.0022321 k( 383) = ( 0.5000000 0.0000000 0.3648649), wk = 0.0022321 k( 384) = ( 0.5000000 0.0000000 0.3513514), wk = 0.0022321 k( 385) = ( 0.5000000 0.0000000 0.3378378), wk = 0.0022321 k( 386) = ( 0.5000000 0.0000000 0.3243243), wk = 0.0022321 k( 387) = ( 0.5000000 0.0000000 0.3108108), wk = 0.0022321 k( 388) = ( 0.5000000 0.0000000 0.2972973), wk = 0.0022321 k( 389) = ( 0.5000000 0.0000000 0.2837838), wk = 0.0022321 k( 390) = ( 0.5000000 0.0000000 0.2702703), wk = 0.0022321 k( 391) = ( 0.5000000 0.0000000 0.2567568), wk = 0.0022321 k( 392) = ( 0.5000000 0.0000000 0.2432432), wk = 0.0022321 k( 393) = ( 0.5000000 0.0000000 0.2297297), wk = 0.0022321 k( 394) = ( 0.5000000 0.0000000 0.2162162), wk = 0.0022321 k( 395) = ( 0.5000000 0.0000000 0.2027027), wk = 0.0022321 k( 396) = ( 0.5000000 0.0000000 0.1891892), wk = 0.0022321 k( 397) = ( 0.5000000 0.0000000 0.1756757), wk = 0.0022321 k( 398) = ( 0.5000000 0.0000000 0.1621622), wk = 0.0022321 k( 399) = ( 0.5000000 0.0000000 0.1486486), wk = 0.0022321 k( 400) = ( 0.5000000 0.0000000 0.1351351), wk = 0.0022321 k( 401) = ( 0.5000000 0.0000000 0.1216216), wk = 0.0022321 k( 402) = ( 0.5000000 0.0000000 0.1081081), wk = 0.0022321 k( 403) = ( 0.5000000 0.0000000 0.0945946), wk = 0.0022321 k( 404) = ( 0.5000000 0.0000000 0.0810811), wk = 0.0022321 k( 405) = ( 0.5000000 0.0000000 0.0675676), wk = 0.0022321 k( 406) = ( 0.5000000 0.0000000 0.0540540), wk = 0.0022321 k( 407) = ( 0.5000000 0.0000000 0.0405405), wk = 0.0022321 k( 408) = ( 0.5000000 0.0000000 0.0270270), wk = 0.0022321 k( 409) = ( 0.5000000 0.0000000 0.0135135), wk = 0.0022321 k( 410) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0022321 k( 411) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0022321 k( 412) = ( 0.3333333 0.3333333 0.0135135), wk = 0.0022321 k( 413) = ( 0.3333333 0.3333333 0.0270270), wk = 0.0022321 k( 414) = ( 0.3333333 0.3333333 0.0405405), wk = 0.0022321 k( 415) = ( 0.3333333 0.3333333 0.0540540), wk = 0.0022321 k( 416) = ( 0.3333333 0.3333333 0.0675676), wk = 0.0022321 k( 417) = ( 0.3333333 0.3333333 0.0810811), wk = 0.0022321 k( 418) = ( 0.3333333 0.3333333 0.0945946), wk = 0.0022321 k( 419) = ( 0.3333333 0.3333333 0.1081081), wk = 0.0022321 k( 420) = ( 0.3333333 0.3333333 0.1216216), wk = 0.0022321 k( 421) = ( 0.3333333 0.3333333 0.1351351), wk = 0.0022321 k( 422) = ( 0.3333333 0.3333333 0.1486486), wk = 0.0022321 k( 423) = ( 0.3333333 0.3333333 0.1621622), wk = 0.0022321 k( 424) = ( 0.3333333 0.3333333 0.1756757), wk = 0.0022321 k( 425) = ( 0.3333333 0.3333333 0.1891892), wk = 0.0022321 k( 426) = ( 0.3333333 0.3333333 0.2027027), wk = 0.0022321 k( 427) = ( 0.3333333 0.3333333 0.2162162), wk = 0.0022321 k( 428) = ( 0.3333333 0.3333333 0.2297297), wk = 0.0022321 k( 429) = ( 0.3333333 0.3333333 0.2432432), wk = 0.0022321 k( 430) = ( 0.3333333 0.3333333 0.2567568), wk = 0.0022321 k( 431) = ( 0.3333333 0.3333333 0.2702703), wk = 0.0022321 k( 432) = ( 0.3333333 0.3333333 0.2837838), wk = 0.0022321 k( 433) = ( 0.3333333 0.3333333 0.2972973), wk = 0.0022321 k( 434) = ( 0.3333333 0.3333333 0.3108108), wk = 0.0022321 k( 435) = ( 0.3333333 0.3333333 0.3243243), wk = 0.0022321 k( 436) = ( 0.3333333 0.3333333 0.3378378), wk = 0.0022321 k( 437) = ( 0.3333333 0.3333333 0.3513514), wk = 0.0022321 k( 438) = ( 0.3333333 0.3333333 0.3648649), wk = 0.0022321 k( 439) = ( 0.3333333 0.3333333 0.3783784), wk = 0.0022321 k( 440) = ( 0.3333333 0.3333333 0.3918919), wk = 0.0022321 k( 441) = ( 0.3333333 0.3333333 0.4054054), wk = 0.0022321 k( 442) = ( 0.3333333 0.3333333 0.4189189), wk = 0.0022321 k( 443) = ( 0.3333333 0.3333333 0.4324324), wk = 0.0022321 k( 444) = ( 0.3333333 0.3333333 0.4459459), wk = 0.0022321 k( 445) = ( 0.3333333 0.3333333 0.4594595), wk = 0.0022321 k( 446) = ( 0.3333333 0.3333333 0.4729730), wk = 0.0022321 k( 447) = ( 0.3333333 0.3333333 0.4864865), wk = 0.0022321 k( 448) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0022321 Dense grid: 30279 G-vectors FFT dimensions: ( 40, 40, 54) Smooth grid: 14507 G-vectors FFT dimensions: ( 30, 30, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 100, 32) NL pseudopotentials 0.04 Mb ( 50, 46) Each V/rho on FFT grid 0.05 Mb ( 3200) Each G-vector array 0.01 Mb ( 840) G-vector shells 0.00 Mb ( 405) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.20 Mb ( 100, 128) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.04 Mb ( 46, 2, 32) Check: negative/imaginary core charge= -0.000017 0.000000 The potential is recalculated from file : ./MgxHOx2.save/charge-density.dat Starting wfc are 30 randomized atomic wfcs + 2 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 1.5 secs Computing kpt #: 3 total cpu time spent up to now is 1.6 secs Computing kpt #: 4 total cpu time spent up to now is 1.7 secs Computing kpt #: 5 total cpu time spent up to now is 1.8 secs Computing kpt #: 6 total cpu time spent up to now is 2.0 secs Computing kpt #: 7 total cpu time spent up to now is 2.1 secs Computing kpt #: 8 total cpu time spent up to now is 2.2 secs Computing kpt #: 9 total cpu time spent up to now is 2.3 secs Computing kpt #: 10 total cpu time spent up to now is 2.5 secs Computing kpt #: 11 total cpu time spent up to now is 2.6 secs Computing kpt #: 12 total cpu time spent up to now is 2.7 secs Computing kpt #: 13 total cpu time spent up to now is 2.9 secs Computing kpt #: 14 total cpu time spent up to now is 3.0 secs Computing kpt #: 15 total cpu time spent up to now is 3.1 secs Computing kpt #: 16 total cpu time spent up to now is 3.2 secs Computing kpt #: 17 total cpu time spent up to now is 3.4 secs Computing kpt #: 18 total cpu time spent up to now is 3.5 secs Computing kpt #: 19 total cpu time spent up to now is 3.6 secs Computing kpt #: 20 total cpu time spent up to now is 3.8 secs Computing kpt #: 21 total cpu time spent up to now is 3.9 secs Computing kpt #: 22 total cpu time spent up to now is 4.0 secs Computing kpt #: 23 total cpu time spent up to now is 4.2 secs Computing kpt #: 24 total cpu time spent up to now is 4.3 secs Computing kpt #: 25 total cpu time spent up to now is 4.4 secs Computing kpt #: 26 total cpu time spent up to now is 4.5 secs Computing kpt #: 27 total cpu time spent up to now is 4.7 secs Computing kpt #: 28 total cpu time spent up to now is 4.8 secs Computing kpt #: 29 total cpu time spent up to now is 4.9 secs Computing kpt #: 30 total cpu time spent up to now is 5.0 secs Computing kpt #: 31 total cpu time spent up to now is 5.2 secs Computing kpt #: 32 total cpu time spent up to now is 5.3 secs Computing kpt #: 33 total cpu time spent up to now is 5.4 secs Computing kpt #: 34 total cpu time spent up to now is 5.6 secs Computing kpt #: 35 total cpu time spent up to now is 5.7 secs Computing kpt #: 36 total cpu time spent up to now is 5.8 secs Computing kpt #: 37 total cpu time spent up to now is 6.0 secs Computing kpt #: 38 total cpu time spent up to now is 6.1 secs Computing kpt #: 39 total cpu time spent up to now is 6.2 secs Computing kpt #: 40 total cpu time spent up to now is 6.4 secs Computing kpt #: 41 total cpu time spent up to now is 6.5 secs Computing kpt #: 42 total cpu time spent up to now is 6.6 secs Computing kpt #: 43 total cpu time spent up to now is 6.8 secs Computing kpt #: 44 total cpu time spent up to now is 6.9 secs Computing kpt #: 45 total cpu time spent up to now is 7.0 secs Computing kpt #: 46 total cpu time spent up to now is 7.2 secs Computing kpt #: 47 total cpu time spent up to now is 7.3 secs Computing kpt #: 48 total cpu time spent up to now is 7.4 secs Computing kpt #: 49 total cpu time spent up to now is 7.5 secs Computing kpt #: 50 total cpu time spent up to now is 7.7 secs Computing kpt #: 51 total cpu time spent up to now is 7.8 secs Computing kpt #: 52 total cpu time spent up to now is 7.9 secs Computing kpt #: 53 total cpu time spent up to now is 8.1 secs Computing kpt #: 54 total cpu time spent up to now is 8.2 secs Computing kpt #: 55 total cpu time spent up to now is 8.3 secs Computing kpt #: 56 total cpu time spent up to now is 8.4 secs Computing kpt #: 57 total cpu time spent up to now is 8.6 secs Computing kpt #: 58 total cpu time spent up to now is 8.7 secs Computing kpt #: 59 total cpu time spent up to now is 8.8 secs Computing kpt #: 60 total cpu time spent up to now is 8.9 secs Computing kpt #: 61 total cpu time spent up to now is 9.0 secs Computing kpt #: 62 total cpu time spent up to now is 9.1 secs Computing kpt #: 63 total cpu time spent up to now is 9.2 secs Computing kpt #: 64 total cpu time spent up to now is 9.3 secs Computing kpt #: 65 total cpu time spent up to now is 9.5 secs Computing kpt #: 66 total cpu time spent up to now is 9.6 secs Computing kpt #: 67 total cpu time spent up to now is 9.7 secs Computing kpt #: 68 total cpu time spent up to now is 9.8 secs Computing kpt #: 69 total cpu time spent up to now is 9.9 secs Computing kpt #: 70 total cpu time spent up to now is 10.0 secs Computing kpt #: 71 total cpu time spent up to now is 10.1 secs Computing kpt #: 72 total cpu time spent up to now is 10.3 secs Computing kpt #: 73 total cpu time spent up to now is 10.4 secs Computing kpt #: 74 total cpu time spent up to now is 10.5 secs Computing kpt #: 75 total cpu time spent up to now is 10.6 secs Computing kpt #: 76 total cpu time spent up to now is 10.7 secs Computing kpt #: 77 total cpu time spent up to now is 10.8 secs Computing kpt #: 78 total cpu time spent up to now is 11.0 secs Computing kpt #: 79 total cpu time spent up to now is 11.1 secs Computing kpt #: 80 total cpu time spent up to now is 11.2 secs Computing kpt #: 81 total cpu time spent up to now is 11.3 secs Computing kpt #: 82 total cpu time spent up to now is 11.4 secs Computing kpt #: 83 total cpu time spent up to now is 11.6 secs Computing kpt #: 84 total cpu time spent up to now is 11.7 secs Computing kpt #: 85 total cpu time spent up to now is 11.8 secs Computing kpt #: 86 total cpu time spent up to now is 12.0 secs Computing kpt #: 87 total cpu time spent up to now is 12.1 secs Computing kpt #: 88 total cpu time spent up to now is 12.2 secs Computing kpt #: 89 total cpu time spent up to now is 12.3 secs Computing kpt #: 90 total cpu time spent up to now is 12.5 secs Computing kpt #: 91 total cpu time spent up to now is 12.6 secs Computing kpt #: 92 total cpu time spent up to now is 12.7 secs Computing kpt #: 93 total cpu time spent up to now is 12.9 secs Computing kpt #: 94 total cpu time spent up to now is 13.0 secs Computing kpt #: 95 total cpu time spent up to now is 13.1 secs Computing kpt #: 96 total cpu time spent up to now is 13.3 secs Computing kpt #: 97 total cpu time spent up to now is 13.4 secs Computing kpt #: 98 total cpu time spent up to now is 13.5 secs Computing kpt #: 99 total cpu time spent up to now is 13.7 secs Computing kpt #: 100 total cpu time spent up to now is 13.8 secs Computing kpt #: 101 total cpu time spent up to now is 13.9 secs Computing kpt #: 102 total cpu time spent up to now is 14.1 secs Computing kpt #: 103 total cpu time spent up to now is 14.2 secs Computing kpt #: 104 total cpu time spent up to now is 14.3 secs Computing kpt #: 105 total cpu time spent up to now is 14.5 secs Computing kpt #: 106 total cpu time spent up to now is 14.6 secs Computing kpt #: 107 total cpu time spent up to now is 14.7 secs Computing kpt #: 108 total cpu time spent up to now is 14.9 secs Computing kpt #: 109 total cpu time spent up to now is 15.0 secs Computing kpt #: 110 total cpu time spent up to now is 15.1 secs Computing kpt #: 111 total cpu time spent up to now is 15.3 secs Computing kpt #: 112 total cpu time spent up to now is 15.4 secs Computing kpt #: 113 total cpu time spent up to now is 15.5 secs Computing kpt #: 114 total cpu time spent up to now is 15.7 secs Computing kpt #: 115 total cpu time spent up to now is 15.8 secs Computing kpt #: 116 total cpu time spent up to now is 15.9 secs Computing kpt #: 117 total cpu time spent up to now is 16.1 secs Computing kpt #: 118 total cpu time spent up to now is 16.2 secs Computing kpt #: 119 total cpu time spent up to now is 16.3 secs Computing kpt #: 120 total cpu time spent up to now is 16.5 secs Computing kpt #: 121 total cpu time spent up to now is 16.6 secs Computing kpt #: 122 total cpu time spent up to now is 16.7 secs Computing kpt #: 123 total cpu time spent up to now is 16.9 secs Computing kpt #: 124 total cpu time spent up to now is 17.0 secs Computing kpt #: 125 total cpu time spent up to now is 17.2 secs Computing kpt #: 126 total cpu time spent up to now is 17.4 secs Computing kpt #: 127 total cpu time spent up to now is 17.6 secs Computing kpt #: 128 total cpu time spent up to now is 17.8 secs Computing kpt #: 129 total cpu time spent up to now is 18.0 secs Computing kpt #: 130 total cpu time spent up to now is 18.1 secs Computing kpt #: 131 total cpu time spent up to now is 18.3 secs Computing kpt #: 132 total cpu time spent up to now is 18.5 secs Computing kpt #: 133 total cpu time spent up to now is 18.6 secs Computing kpt #: 134 total cpu time spent up to now is 18.8 secs Computing kpt #: 135 total cpu time spent up to now is 18.9 secs Computing kpt #: 136 total cpu time spent up to now is 19.0 secs Computing kpt #: 137 total cpu time spent up to now is 19.2 secs Computing kpt #: 138 total cpu time spent up to now is 19.3 secs Computing kpt #: 139 total cpu time spent up to now is 19.4 secs Computing kpt #: 140 total cpu time spent up to now is 19.5 secs Computing kpt #: 141 total cpu time spent up to now is 19.7 secs Computing kpt #: 142 total cpu time spent up to now is 19.8 secs Computing kpt #: 143 total cpu time spent up to now is 19.9 secs Computing kpt #: 144 total cpu time spent up to now is 20.0 secs Computing kpt #: 145 total cpu time spent up to now is 20.2 secs Computing kpt #: 146 total cpu time spent up to now is 20.3 secs Computing kpt #: 147 total cpu time spent up to now is 20.4 secs Computing kpt #: 148 total cpu time spent up to now is 20.5 secs Computing kpt #: 149 total cpu time spent up to now is 20.7 secs Computing kpt #: 150 total cpu time spent up to now is 20.8 secs Computing kpt #: 151 total cpu time spent up to now is 20.9 secs Computing kpt #: 152 total cpu time spent up to now is 21.0 secs Computing kpt #: 153 total cpu time spent up to now is 21.2 secs Computing kpt #: 154 total cpu time spent up to now is 21.3 secs Computing kpt #: 155 total cpu time spent up to now is 21.4 secs Computing kpt #: 156 total cpu time spent up to now is 21.6 secs Computing kpt #: 157 total cpu time spent up to now is 21.7 secs Computing kpt #: 158 total cpu time spent up to now is 21.8 secs Computing kpt #: 159 total cpu time spent up to now is 21.9 secs Computing kpt #: 160 total cpu time spent up to now is 22.1 secs Computing kpt #: 161 total cpu time spent up to now is 22.2 secs Computing kpt #: 162 total cpu time spent up to now is 22.3 secs Computing kpt #: 163 total cpu time spent up to now is 22.5 secs Computing kpt #: 164 total cpu time spent up to now is 22.6 secs Computing kpt #: 165 total cpu time spent up to now is 22.7 secs Computing kpt #: 166 total cpu time spent up to now is 22.8 secs Computing kpt #: 167 total cpu time spent up to now is 23.0 secs Computing kpt #: 168 total cpu time spent up to now is 23.1 secs Computing kpt #: 169 total cpu time spent up to now is 23.2 secs Computing kpt #: 170 total cpu time spent up to now is 23.3 secs Computing kpt #: 171 total cpu time spent up to now is 23.4 secs Computing kpt #: 172 total cpu time spent up to now is 23.5 secs Computing kpt #: 173 total cpu time spent up to now is 23.7 secs Computing kpt #: 174 total cpu time spent up to now is 23.8 secs Computing kpt #: 175 total cpu time spent up to now is 23.9 secs Computing kpt #: 176 total cpu time spent up to now is 24.0 secs Computing kpt #: 177 total cpu time spent up to now is 24.2 secs Computing kpt #: 178 total cpu time spent up to now is 24.3 secs Computing kpt #: 179 total cpu time spent up to now is 24.4 secs Computing kpt #: 180 total cpu time spent up to now is 24.5 secs Computing kpt #: 181 total cpu time spent up to now is 24.7 secs Computing kpt #: 182 total cpu time spent up to now is 24.8 secs Computing kpt #: 183 total cpu time spent up to now is 24.9 secs Computing kpt #: 184 total cpu time spent up to now is 25.1 secs Computing kpt #: 185 total cpu time spent up to now is 25.2 secs Computing kpt #: 186 total cpu time spent up to now is 25.3 secs Computing kpt #: 187 total cpu time spent up to now is 25.5 secs Computing kpt #: 188 total cpu time spent up to now is 25.6 secs Computing kpt #: 189 total cpu time spent up to now is 25.7 secs Computing kpt #: 190 total cpu time spent up to now is 25.8 secs Computing kpt #: 191 total cpu time spent up to now is 26.0 secs Computing kpt #: 192 total cpu time spent up to now is 26.1 secs Computing kpt #: 193 total cpu time spent up to now is 26.2 secs Computing kpt #: 194 total cpu time spent up to now is 26.3 secs Computing kpt #: 195 total cpu time spent up to now is 26.5 secs Computing kpt #: 196 total cpu time spent up to now is 26.6 secs Computing kpt #: 197 total cpu time spent up to now is 26.7 secs Computing kpt #: 198 total cpu time spent up to now is 26.8 secs Computing kpt #: 199 total cpu time spent up to now is 27.0 secs Computing kpt #: 200 total cpu time spent up to now is 27.1 secs Computing kpt #: 201 total cpu time spent up to now is 27.2 secs Computing kpt #: 202 total cpu time spent up to now is 27.3 secs Computing kpt #: 203 total cpu time spent up to now is 27.5 secs Computing kpt #: 204 total cpu time spent up to now is 27.6 secs Computing kpt #: 205 total cpu time spent up to now is 27.7 secs Computing kpt #: 206 total cpu time spent up to now is 27.8 secs Computing kpt #: 207 total cpu time spent up to now is 28.0 secs Computing kpt #: 208 total cpu time spent up to now is 28.1 secs Computing kpt #: 209 total cpu time spent up to now is 28.2 secs Computing kpt #: 210 total cpu time spent up to now is 28.4 secs Computing kpt #: 211 total cpu time spent up to now is 28.5 secs Computing kpt #: 212 total cpu time spent up to now is 28.6 secs Computing kpt #: 213 total cpu time spent up to now is 28.8 secs Computing kpt #: 214 total cpu time spent up to now is 28.9 secs Computing kpt #: 215 total cpu time spent up to now is 29.0 secs Computing kpt #: 216 total cpu time spent up to now is 29.2 secs Computing kpt #: 217 total cpu time spent up to now is 29.3 secs Computing kpt #: 218 total cpu time spent up to now is 29.5 secs Computing kpt #: 219 total cpu time spent up to now is 29.6 secs Computing kpt #: 220 total cpu time spent up to now is 29.8 secs Computing kpt #: 221 total cpu time spent up to now is 29.9 secs Computing kpt #: 222 total cpu time spent up to now is 30.1 secs Computing kpt #: 223 total cpu time spent up to now is 30.2 secs Computing kpt #: 224 total cpu time spent up to now is 30.3 secs Computing kpt #: 225 total cpu time spent up to now is 30.5 secs Computing kpt #: 226 total cpu time spent up to now is 30.6 secs Computing kpt #: 227 total cpu time spent up to now is 30.8 secs Computing kpt #: 228 total cpu time spent up to now is 30.9 secs Computing kpt #: 229 total cpu time spent up to now is 31.1 secs Computing kpt #: 230 total cpu time spent up to now is 31.2 secs Computing kpt #: 231 total cpu time spent up to now is 31.4 secs Computing kpt #: 232 total cpu time spent up to now is 31.5 secs Computing kpt #: 233 total cpu time spent up to now is 31.6 secs Computing kpt #: 234 total cpu time spent up to now is 31.8 secs Computing kpt #: 235 total cpu time spent up to now is 31.9 secs Computing kpt #: 236 total cpu time spent up to now is 32.1 secs Computing kpt #: 237 total cpu time spent up to now is 32.2 secs Computing kpt #: 238 total cpu time spent up to now is 32.3 secs Computing kpt #: 239 total cpu time spent up to now is 32.5 secs Computing kpt #: 240 total cpu time spent up to now is 32.6 secs Computing kpt #: 241 total cpu time spent up to now is 32.8 secs Computing kpt #: 242 total cpu time spent up to now is 32.9 secs Computing kpt #: 243 total cpu time spent up to now is 33.1 secs Computing kpt #: 244 total cpu time spent up to now is 33.2 secs Computing kpt #: 245 total cpu time spent up to now is 33.3 secs Computing kpt #: 246 total cpu time spent up to now is 33.5 secs Computing kpt #: 247 total cpu time spent up to now is 33.6 secs Computing kpt #: 248 total cpu time spent up to now is 33.8 secs Computing kpt #: 249 total cpu time spent up to now is 33.9 secs Computing kpt #: 250 total cpu time spent up to now is 34.1 secs Computing kpt #: 251 total cpu time spent up to now is 34.2 secs Computing kpt #: 252 total cpu time spent up to now is 34.4 secs Computing kpt #: 253 total cpu time spent up to now is 34.6 secs Computing kpt #: 254 total cpu time spent up to now is 34.7 secs Computing kpt #: 255 total cpu time spent up to now is 34.9 secs Computing kpt #: 256 total cpu time spent up to now is 35.0 secs Computing kpt #: 257 total cpu time spent up to now is 35.2 secs Computing kpt #: 258 total cpu time spent up to now is 35.3 secs Computing kpt #: 259 total cpu time spent up to now is 35.5 secs Computing kpt #: 260 total cpu time spent up to now is 35.6 secs Computing kpt #: 261 total cpu time spent up to now is 35.7 secs Computing kpt #: 262 total cpu time spent up to now is 35.9 secs Computing kpt #: 263 total cpu time spent up to now is 36.0 secs Computing kpt #: 264 total cpu time spent up to now is 36.2 secs Computing kpt #: 265 total cpu time spent up to now is 36.4 secs Computing kpt #: 266 total cpu time spent up to now is 36.5 secs Computing kpt #: 267 total cpu time spent up to now is 36.7 secs Computing kpt #: 268 total cpu time spent up to now is 36.8 secs Computing kpt #: 269 total cpu time spent up to now is 37.0 secs Computing kpt #: 270 total cpu time spent up to now is 37.1 secs Computing kpt #: 271 total cpu time spent up to now is 37.3 secs Computing kpt #: 272 total cpu time spent up to now is 37.4 secs Computing kpt #: 273 total cpu time spent up to now is 37.6 secs Computing kpt #: 274 total cpu time spent up to now is 37.7 secs Computing kpt #: 275 total cpu time spent up to now is 37.9 secs Computing kpt #: 276 total cpu time spent up to now is 38.1 secs Computing kpt #: 277 total cpu time spent up to now is 38.3 secs Computing kpt #: 278 total cpu time spent up to now is 38.5 secs Computing kpt #: 279 total cpu time spent up to now is 38.6 secs Computing kpt #: 280 total cpu time spent up to now is 38.8 secs Computing kpt #: 281 total cpu time spent up to now is 39.0 secs Computing kpt #: 282 total cpu time spent up to now is 39.2 secs Computing kpt #: 283 total cpu time spent up to now is 39.4 secs Computing kpt #: 284 total cpu time spent up to now is 39.6 secs Computing kpt #: 285 total cpu time spent up to now is 39.7 secs Computing kpt #: 286 total cpu time spent up to now is 39.9 secs Computing kpt #: 287 total cpu time spent up to now is 40.1 secs Computing kpt #: 288 total cpu time spent up to now is 40.2 secs Computing kpt #: 289 total cpu time spent up to now is 40.4 secs Computing kpt #: 290 total cpu time spent up to now is 40.6 secs Computing kpt #: 291 total cpu time spent up to now is 40.7 secs Computing kpt #: 292 total cpu time spent up to now is 40.9 secs Computing kpt #: 293 total cpu time spent up to now is 41.0 secs Computing kpt #: 294 total cpu time spent up to now is 41.2 secs Computing kpt #: 295 total cpu time spent up to now is 41.4 secs Computing kpt #: 296 total cpu time spent up to now is 41.6 secs Computing kpt #: 297 total cpu time spent up to now is 41.8 secs Computing kpt #: 298 total cpu time spent up to now is 42.1 secs Computing kpt #: 299 total cpu time spent up to now is 42.4 secs Computing kpt #: 300 total cpu time spent up to now is 42.6 secs Computing kpt #: 301 total cpu time spent up to now is 43.0 secs Computing kpt #: 302 total cpu time spent up to now is 43.2 secs Computing kpt #: 303 total cpu time spent up to now is 43.4 secs Computing kpt #: 304 total cpu time spent up to now is 43.7 secs Computing kpt #: 305 total cpu time spent up to now is 44.0 secs Computing kpt #: 306 total cpu time spent up to now is 44.2 secs Computing kpt #: 307 total cpu time spent up to now is 44.5 secs Computing kpt #: 308 total cpu time spent up to now is 44.7 secs Computing kpt #: 309 total cpu time spent up to now is 44.9 secs Computing kpt #: 310 total cpu time spent up to now is 45.0 secs Computing kpt #: 311 total cpu time spent up to now is 45.2 secs Computing kpt #: 312 total cpu time spent up to now is 45.4 secs Computing kpt #: 313 total cpu time spent up to now is 45.5 secs Computing kpt #: 314 total cpu time spent up to now is 45.7 secs Computing kpt #: 315 total cpu time spent up to now is 45.8 secs Computing kpt #: 316 total cpu time spent up to now is 46.0 secs Computing kpt #: 317 total cpu time spent up to now is 46.1 secs Computing kpt #: 318 total cpu time spent up to now is 46.3 secs Computing kpt #: 319 total cpu time spent up to now is 46.4 secs Computing kpt #: 320 total cpu time spent up to now is 46.6 secs Computing kpt #: 321 total cpu time spent up to now is 46.7 secs Computing kpt #: 322 total cpu time spent up to now is 46.9 secs Computing kpt #: 323 total cpu time spent up to now is 47.0 secs Computing kpt #: 324 total cpu time spent up to now is 47.2 secs Computing kpt #: 325 total cpu time spent up to now is 47.3 secs Computing kpt #: 326 total cpu time spent up to now is 47.5 secs Computing kpt #: 327 total cpu time spent up to now is 47.6 secs Computing kpt #: 328 total cpu time spent up to now is 47.8 secs Computing kpt #: 329 total cpu time spent up to now is 47.9 secs Computing kpt #: 330 total cpu time spent up to now is 48.1 secs Computing kpt #: 331 total cpu time spent up to now is 48.2 secs Computing kpt #: 332 total cpu time spent up to now is 48.4 secs Computing kpt #: 333 total cpu time spent up to now is 48.5 secs Computing kpt #: 334 total cpu time spent up to now is 48.7 secs Computing kpt #: 335 total cpu time spent up to now is 48.9 secs Computing kpt #: 336 total cpu time spent up to now is 49.0 secs Computing kpt #: 337 total cpu time spent up to now is 49.2 secs Computing kpt #: 338 total cpu time spent up to now is 49.3 secs Computing kpt #: 339 total cpu time spent up to now is 49.5 secs Computing kpt #: 340 total cpu time spent up to now is 49.6 secs Computing kpt #: 341 total cpu time spent up to now is 49.8 secs Computing kpt #: 342 total cpu time spent up to now is 49.9 secs Computing kpt #: 343 total cpu time spent up to now is 50.1 secs Computing kpt #: 344 total cpu time spent up to now is 50.2 secs Computing kpt #: 345 total cpu time spent up to now is 50.4 secs Computing kpt #: 346 total cpu time spent up to now is 50.5 secs Computing kpt #: 347 total cpu time spent up to now is 50.7 secs Computing kpt #: 348 total cpu time spent up to now is 50.9 secs Computing kpt #: 349 total cpu time spent up to now is 51.0 secs Computing kpt #: 350 total cpu time spent up to now is 51.2 secs Computing kpt #: 351 total cpu time spent up to now is 51.4 secs Computing kpt #: 352 total cpu time spent up to now is 51.5 secs Computing kpt #: 353 total cpu time spent up to now is 51.7 secs Computing kpt #: 354 total cpu time spent up to now is 51.8 secs Computing kpt #: 355 total cpu time spent up to now is 52.0 secs Computing kpt #: 356 total cpu time spent up to now is 52.1 secs Computing kpt #: 357 total cpu time spent up to now is 52.3 secs Computing kpt #: 358 total cpu time spent up to now is 52.4 secs Computing kpt #: 359 total cpu time spent up to now is 52.6 secs Computing kpt #: 360 total cpu time spent up to now is 52.7 secs Computing kpt #: 361 total cpu time spent up to now is 52.9 secs Computing kpt #: 362 total cpu time spent up to now is 53.0 secs Computing kpt #: 363 total cpu time spent up to now is 53.2 secs Computing kpt #: 364 total cpu time spent up to now is 53.3 secs Computing kpt #: 365 total cpu time spent up to now is 53.4 secs Computing kpt #: 366 total cpu time spent up to now is 53.5 secs Computing kpt #: 367 total cpu time spent up to now is 53.7 secs Computing kpt #: 368 total cpu time spent up to now is 53.8 secs Computing kpt #: 369 total cpu time spent up to now is 53.9 secs Computing kpt #: 370 total cpu time spent up to now is 54.1 secs Computing kpt #: 371 total cpu time spent up to now is 54.2 secs Computing kpt #: 372 total cpu time spent up to now is 54.3 secs Computing kpt #: 373 total cpu time spent up to now is 54.5 secs Computing kpt #: 374 total cpu time spent up to now is 54.6 secs Computing kpt #: 375 total cpu time spent up to now is 54.8 secs Computing kpt #: 376 total cpu time spent up to now is 54.9 secs Computing kpt #: 377 total cpu time spent up to now is 55.1 secs Computing kpt #: 378 total cpu time spent up to now is 55.2 secs Computing kpt #: 379 total cpu time spent up to now is 55.4 secs Computing kpt #: 380 total cpu time spent up to now is 55.5 secs Computing kpt #: 381 total cpu time spent up to now is 55.7 secs Computing kpt #: 382 total cpu time spent up to now is 55.8 secs Computing kpt #: 383 total cpu time spent up to now is 56.0 secs Computing kpt #: 384 total cpu time spent up to now is 56.1 secs Computing kpt #: 385 total cpu time spent up to now is 56.2 secs Computing kpt #: 386 total cpu time spent up to now is 56.4 secs Computing kpt #: 387 total cpu time spent up to now is 56.5 secs Computing kpt #: 388 total cpu time spent up to now is 56.7 secs Computing kpt #: 389 total cpu time spent up to now is 56.8 secs Computing kpt #: 390 total cpu time spent up to now is 56.9 secs Computing kpt #: 391 total cpu time spent up to now is 57.1 secs Computing kpt #: 392 total cpu time spent up to now is 57.2 secs Computing kpt #: 393 total cpu time spent up to now is 57.3 secs Computing kpt #: 394 total cpu time spent up to now is 57.4 secs Computing kpt #: 395 total cpu time spent up to now is 57.6 secs Computing kpt #: 396 total cpu time spent up to now is 57.7 secs Computing kpt #: 397 total cpu time spent up to now is 57.8 secs Computing kpt #: 398 total cpu time spent up to now is 58.0 secs Computing kpt #: 399 total cpu time spent up to now is 58.1 secs Computing kpt #: 400 total cpu time spent up to now is 58.2 secs Computing kpt #: 401 total cpu time spent up to now is 58.3 secs Computing kpt #: 402 total cpu time spent up to now is 58.4 secs Computing kpt #: 403 total cpu time spent up to now is 58.6 secs Computing kpt #: 404 total cpu time spent up to now is 58.7 secs Computing kpt #: 405 total cpu time spent up to now is 58.8 secs Computing kpt #: 406 total cpu time spent up to now is 58.9 secs Computing kpt #: 407 total cpu time spent up to now is 59.0 secs Computing kpt #: 408 total cpu time spent up to now is 59.1 secs Computing kpt #: 409 total cpu time spent up to now is 59.2 secs Computing kpt #: 410 total cpu time spent up to now is 59.3 secs Computing kpt #: 411 total cpu time spent up to now is 59.5 secs Computing kpt #: 412 total cpu time spent up to now is 59.6 secs Computing kpt #: 413 total cpu time spent up to now is 59.7 secs Computing kpt #: 414 total cpu time spent up to now is 59.9 secs Computing kpt #: 415 total cpu time spent up to now is 60.0 secs Computing kpt #: 416 total cpu time spent up to now is 60.1 secs Computing kpt #: 417 total cpu time spent up to now is 60.3 secs Computing kpt #: 418 total cpu time spent up to now is 60.4 secs Computing kpt #: 419 total cpu time spent up to now is 60.5 secs Computing kpt #: 420 total cpu time spent up to now is 60.7 secs Computing kpt #: 421 total cpu time spent up to now is 60.8 secs Computing kpt #: 422 total cpu time spent up to now is 60.9 secs Computing kpt #: 423 total cpu time spent up to now is 61.1 secs Computing kpt #: 424 total cpu time spent up to now is 61.2 secs Computing kpt #: 425 total cpu time spent up to now is 61.3 secs Computing kpt #: 426 total cpu time spent up to now is 61.4 secs Computing kpt #: 427 total cpu time spent up to now is 61.6 secs Computing kpt #: 428 total cpu time spent up to now is 61.7 secs Computing kpt #: 429 total cpu time spent up to now is 61.9 secs Computing kpt #: 430 total cpu time spent up to now is 62.0 secs Computing kpt #: 431 total cpu time spent up to now is 62.2 secs Computing kpt #: 432 total cpu time spent up to now is 62.3 secs Computing kpt #: 433 total cpu time spent up to now is 62.5 secs Computing kpt #: 434 total cpu time spent up to now is 62.6 secs Computing kpt #: 435 total cpu time spent up to now is 62.8 secs Computing kpt #: 436 total cpu time spent up to now is 63.0 secs Computing kpt #: 437 total cpu time spent up to now is 63.1 secs Computing kpt #: 438 total cpu time spent up to now is 63.2 secs Computing kpt #: 439 total cpu time spent up to now is 63.5 secs Computing kpt #: 440 total cpu time spent up to now is 63.7 secs Computing kpt #: 441 total cpu time spent up to now is 63.8 secs Computing kpt #: 442 total cpu time spent up to now is 64.0 secs Computing kpt #: 443 total cpu time spent up to now is 64.1 secs Computing kpt #: 444 total cpu time spent up to now is 64.3 secs Computing kpt #: 445 total cpu time spent up to now is 64.7 secs Computing kpt #: 446 total cpu time spent up to now is 64.9 secs Computing kpt #: 447 total cpu time spent up to now is 65.2 secs Computing kpt #: 448 total cpu time spent up to now is 65.4 secs ethr = 4.17E-08, avg # of iterations = 17.8 total cpu time spent up to now is 65.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 1803 PWs) bands (ev): -67.2148 -67.2148 -34.1509 -34.1509 -33.8691 -33.8691 -33.8569 -33.8569 -14.8438 -14.8438 -12.9689 -12.9689 -2.9106 -2.9106 0.7993 0.7993 3.6908 3.6908 3.7128 3.7128 4.5332 4.5332 4.5584 4.5584 10.1668 10.1668 13.3711 13.3711 18.6245 18.6245 20.8760 20.8760 k = 0.0083 0.0048-0.0000 ( 1811 PWs) bands (ev): -67.2148 -67.2148 -34.1509 -34.1509 -33.8692 -33.8692 -33.8570 -33.8570 -14.8433 -14.8433 -12.9690 -12.9690 -2.9099 -2.9099 0.7987 0.7987 3.6895 3.6895 3.7115 3.7115 4.5315 4.5315 4.5568 4.5568 10.1705 10.1705 13.3736 13.3736 18.6229 18.6229 20.8634 20.8634 k = 0.0167 0.0096-0.0000 ( 1811 PWs) bands (ev): -67.2148 -67.2148 -34.1510 -34.1510 -33.8692 -33.8692 -33.8570 -33.8570 -14.8417 -14.8417 -12.9690 -12.9690 -2.9077 -2.9077 0.7972 0.7972 3.6855 3.6855 3.7081 3.7081 4.5256 4.5256 4.5533 4.5533 10.1816 10.1816 13.3812 13.3812 18.6184 18.6184 20.8272 20.8272 k = 0.0250 0.0144-0.0000 ( 1811 PWs) bands (ev): -67.2148 -67.2148 -34.1510 -34.1510 -33.8692 -33.8692 -33.8572 -33.8572 -14.8391 -14.8391 -12.9692 -12.9692 -2.9040 -2.9040 0.7948 0.7948 3.6782 3.6782 3.7030 3.7030 4.5135 4.5135 4.5496 4.5496 10.2000 10.2000 13.3940 13.3940 18.6107 18.6107 20.7705 20.7705 k = 0.0333 0.0192-0.0000 ( 1809 PWs) bands (ev): -67.2148 -67.2148 -34.1511 -34.1511 -33.8692 -33.8692 -33.8573 -33.8573 -14.8354 -14.8354 -12.9694 -12.9694 -2.8989 -2.8989 0.7914 0.7914 3.6668 3.6668 3.6971 3.6971 4.4945 4.4945 4.5469 4.5469 10.2256 10.2256 13.4117 13.4117 18.5998 18.5998 20.6979 20.6979 k = 0.0417 0.0241-0.0000 ( 1805 PWs) bands (ev): -67.2148 -67.2148 -34.1512 -34.1512 -33.8692 -33.8692 -33.8575 -33.8575 -14.8307 -14.8307 -12.9696 -12.9696 -2.8923 -2.8923 0.7870 0.7870 3.6511 3.6511 3.6905 3.6905 4.4692 4.4692 4.5448 4.5448 10.2582 10.2582 13.4343 13.4343 18.5856 18.5856 20.6134 20.6134 k = 0.0500 0.0289-0.0000 ( 1805 PWs) bands (ev): -67.2147 -67.2147 -34.1513 -34.1513 -33.8693 -33.8693 -33.8577 -33.8577 -14.8249 -14.8249 -12.9699 -12.9699 -2.8843 -2.8843 0.7816 0.7816 3.6313 3.6313 3.6833 3.6833 4.4383 4.4383 4.5429 4.5429 10.2974 10.2974 13.4616 13.4616 18.5680 18.5680 20.5206 20.5206 k = 0.0583 0.0337-0.0000 ( 1809 PWs) bands (ev): -67.2147 -67.2147 -34.1515 -34.1515 -33.8693 -33.8693 -33.8581 -33.8581 -14.8181 -14.8181 -12.9703 -12.9703 -2.8748 -2.8748 0.7752 0.7752 3.6075 3.6075 3.6754 3.6754 4.4021 4.4021 4.5408 4.5408 10.3430 10.3430 13.4936 13.4936 18.5468 18.5468 20.4226 20.4226 k = 0.0667 0.0385-0.0000 ( 1807 PWs) bands (ev): -67.2147 -67.2147 -34.1516 -34.1516 -33.8694 -33.8694 -33.8584 -33.8584 -14.8103 -14.8103 -12.9708 -12.9708 -2.8639 -2.8639 0.7679 0.7679 3.5799 3.5799 3.6666 3.6666 4.3613 4.3613 4.5387 4.5387 10.3946 10.3946 13.5301 13.5301 18.5217 18.5217 20.3216 20.3216 k = 0.0750 0.0433-0.0000 ( 1803 PWs) bands (ev): -67.2146 -67.2146 -34.1518 -34.1518 -33.8694 -33.8694 -33.8587 -33.8587 -14.8014 -14.8014 -12.9713 -12.9713 -2.8516 -2.8516 0.7597 0.7597 3.5485 3.5485 3.6570 3.6570 4.3164 4.3164 4.5364 4.5364 10.4520 10.4520 13.5708 13.5708 18.4926 18.4926 20.2195 20.2195 k = 0.0833 0.0481-0.0000 ( 1803 PWs) bands (ev): -67.2145 -67.2145 -34.1520 -34.1520 -33.8695 -33.8695 -33.8591 -33.8591 -14.7916 -14.7916 -12.9719 -12.9719 -2.8379 -2.8379 0.7505 0.7505 3.5137 3.5137 3.6465 3.6465 4.2677 4.2677 4.5339 4.5339 10.5147 10.5147 13.6156 13.6156 18.4592 18.4592 20.1176 20.1176 k = 0.0917 0.0529-0.0000 ( 1799 PWs) bands (ev): -67.2145 -67.2145 -34.1523 -34.1523 -33.8696 -33.8696 -33.8595 -33.8595 -14.7808 -14.7808 -12.9726 -12.9726 -2.8228 -2.8228 0.7404 0.7404 3.4753 3.4753 3.6351 3.6351 4.2158 4.2158 4.5311 4.5311 10.5823 10.5823 13.6642 13.6642 18.4213 18.4213 20.0173 20.0173 k = 0.1000 0.0577-0.0000 ( 1794 PWs) bands (ev): -67.2144 -67.2144 -34.1525 -34.1525 -33.8697 -33.8697 -33.8600 -33.8600 -14.7690 -14.7690 -12.9735 -12.9735 -2.8063 -2.8063 0.7294 0.7294 3.4336 3.4336 3.6229 3.6229 4.1610 4.1610 4.5281 4.5281 10.6545 10.6545 13.7164 13.7164 18.3786 18.3786 19.9196 19.9196 k = 0.1083 0.0625-0.0000 ( 1788 PWs) bands (ev): -67.2143 -67.2143 -34.1528 -34.1528 -33.8698 -33.8698 -33.8604 -33.8604 -14.7563 -14.7563 -12.9744 -12.9744 -2.7884 -2.7884 0.7176 0.7176 3.3886 3.3886 3.6100 3.6100 4.1039 4.1039 4.5248 4.5248 10.7310 10.7310 13.7718 13.7718 18.3311 18.3311 19.8252 19.8252 k = 0.1167 0.0674-0.0000 ( 1788 PWs) bands (ev): -67.2143 -67.2143 -34.1531 -34.1531 -33.8700 -33.8700 -33.8609 -33.8609 -14.7426 -14.7426 -12.9755 -12.9755 -2.7692 -2.7692 0.7047 0.7047 3.3404 3.3404 3.5963 3.5963 4.0448 4.0448 4.5212 4.5212 10.8112 10.8112 13.8302 13.8302 18.2785 18.2785 19.7348 19.7348 k = 0.1250 0.0722-0.0000 ( 1792 PWs) bands (ev): -67.2142 -67.2142 -34.1534 -34.1534 -33.8702 -33.8702 -33.8614 -33.8614 -14.7280 -14.7280 -12.9767 -12.9767 -2.7487 -2.7487 0.6910 0.6910 3.2889 3.2889 3.5819 3.5819 3.9842 3.9842 4.5174 4.5174 10.8949 10.8949 13.8913 13.8913 18.2209 18.2209 19.6487 19.6487 k = 0.1333 0.0770-0.0000 ( 1788 PWs) bands (ev): -67.2141 -67.2141 -34.1537 -34.1537 -33.8704 -33.8704 -33.8619 -33.8619 -14.7125 -14.7125 -12.9780 -12.9780 -2.7269 -2.7269 0.6765 0.6765 3.2346 3.2346 3.5669 3.5669 3.9225 3.9225 4.5132 4.5132 10.9818 10.9818 13.9546 13.9546 18.1585 18.1585 19.5674 19.5674 k = 0.1417 0.0818-0.0000 ( 1786 PWs) bands (ev): -67.2140 -67.2140 -34.1541 -34.1541 -33.8707 -33.8707 -33.8624 -33.8624 -14.6962 -14.6962 -12.9796 -12.9796 -2.7038 -2.7038 0.6611 0.6611 3.1774 3.1774 3.5513 3.5513 3.8600 3.8600 4.5088 4.5088 11.0714 11.0714 14.0199 14.0199 18.0915 18.0915 19.4908 19.4908 k = 0.1500 0.0866-0.0000 ( 1782 PWs) bands (ev): -67.2139 -67.2139 -34.1544 -34.1544 -33.8710 -33.8710 -33.8629 -33.8629 -14.6790 -14.6790 -12.9812 -12.9812 -2.6795 -2.6795 0.6449 0.6449 3.1175 3.1175 3.5353 3.5353 3.7971 3.7971 4.5041 4.5041 11.1635 11.1635 14.0868 14.0868 18.0203 18.0203 19.4189 19.4189 k = 0.1583 0.0914-0.0000 ( 1784 PWs) bands (ev): -67.2138 -67.2138 -34.1548 -34.1548 -33.8714 -33.8714 -33.8633 -33.8633 -14.6610 -14.6610 -12.9831 -12.9831 -2.6540 -2.6540 0.6278 0.6278 3.0551 3.0551 3.5186 3.5186 3.7340 3.7340 4.4991 4.4991 11.2577 11.2577 14.1548 14.1548 17.9453 17.9453 19.3515 19.3515 k = 0.1667 0.0962-0.0000 ( 1784 PWs) bands (ev): -67.2137 -67.2137 -34.1553 -34.1553 -33.8718 -33.8718 -33.8637 -33.8637 -14.6422 -14.6422 -12.9852 -12.9852 -2.6273 -2.6273 0.6100 0.6100 2.9903 2.9903 3.5016 3.5016 3.6711 3.6711 4.4939 4.4939 11.3538 11.3538 14.2236 14.2236 17.8673 17.8673 19.2884 19.2884 k = 0.1750 0.1010-0.0000 ( 1784 PWs) bands (ev): -67.2136 -67.2136 -34.1557 -34.1557 -33.8723 -33.8723 -33.8641 -33.8641 -14.6226 -14.6226 -12.9875 -12.9875 -2.5994 -2.5994 0.5914 0.5914 2.9234 2.9234 3.4841 3.4841 3.6086 3.6086 4.4884 4.4884 11.4515 11.4515 14.2926 14.2926 17.7869 17.7869 19.2290 19.2290 k = 0.1833 0.1058-0.0000 ( 1786 PWs) bands (ev): -67.2135 -67.2135 -34.1561 -34.1561 -33.8729 -33.8729 -33.8645 -33.8645 -14.6023 -14.6023 -12.9900 -12.9900 -2.5704 -2.5704 0.5721 0.5721 2.8545 2.8545 3.4662 3.4662 3.5467 3.5467 4.4826 4.4826 11.5505 11.5505 14.3614 14.3614 17.7047 17.7047 19.1730 19.1730 k = 0.1917 0.1107-0.0000 ( 1788 PWs) bands (ev): -67.2134 -67.2134 -34.1566 -34.1566 -33.8735 -33.8735 -33.8648 -33.8648 -14.5812 -14.5812 -12.9928 -12.9928 -2.5403 -2.5403 0.5520 0.5520 2.7839 2.7839 3.4473 3.4473 3.4862 3.4862 4.4766 4.4766 11.6506 11.6506 14.4295 14.4295 17.6216 17.6216 19.1200 19.1200 k = 0.2000 0.1155-0.0000 ( 1788 PWs) bands (ev): -67.2133 -67.2133 -34.1571 -34.1571 -33.8742 -33.8742 -33.8650 -33.8650 -14.5595 -14.5595 -12.9958 -12.9958 -2.5091 -2.5091 0.5313 0.5313 2.7119 2.7119 3.4182 3.4182 3.4364 3.4364 4.4704 4.4704 11.7515 11.7515 14.4964 14.4964 17.5382 17.5382 19.0695 19.0695 k = 0.2083 0.1203-0.0000 ( 1792 PWs) bands (ev): -67.2132 -67.2132 -34.1576 -34.1576 -33.8749 -33.8749 -33.8653 -33.8653 -14.5372 -14.5372 -12.9991 -12.9991 -2.4770 -2.4770 0.5098 0.5098 2.6387 2.6387 3.3623 3.3623 3.4142 3.4142 4.4640 4.4640 11.8530 11.8530 14.5614 14.5614 17.4553 17.4553 19.0210 19.0210 k = 0.2167 0.1251-0.0000 ( 1794 PWs) bands (ev): -67.2131 -67.2131 -34.1581 -34.1581 -33.8756 -33.8756 -33.8655 -33.8655 -14.5142 -14.5142 -13.0026 -13.0026 -2.4438 -2.4438 0.4877 0.4877 2.5647 2.5647 3.3039 3.3039 3.3954 3.3954 4.4574 4.4574 11.9549 11.9549 14.6242 14.6242 17.3734 17.3734 18.9744 18.9744 k = 0.2250 0.1299-0.0000 ( 1798 PWs) bands (ev): -67.2130 -67.2130 -34.1586 -34.1586 -33.8764 -33.8764 -33.8657 -33.8657 -14.4907 -14.4907 -13.0065 -13.0065 -2.4097 -2.4097 0.4650 0.4650 2.4900 2.4900 3.2462 3.2462 3.3768 3.3768 4.4507 4.4507 12.0570 12.0570 14.6840 14.6840 17.2932 17.2932 18.9292 18.9292 k = 0.2333 0.1347-0.0000 ( 1798 PWs) bands (ev): -67.2129 -67.2129 -34.1591 -34.1591 -33.8773 -33.8773 -33.8658 -33.8658 -14.4666 -14.4666 -13.0107 -13.0107 -2.3747 -2.3747 0.4417 0.4417 2.4149 2.4149 3.1894 3.1894 3.3583 3.3583 4.4438 4.4438 12.1591 12.1591 14.7402 14.7402 17.2153 17.2153 18.8853 18.8853 k = 0.2417 0.1395-0.0000 ( 1798 PWs) bands (ev): -67.2127 -67.2127 -34.1596 -34.1596 -33.8781 -33.8781 -33.8660 -33.8660 -14.4421 -14.4421 -13.0152 -13.0152 -2.3389 -2.3389 0.4179 0.4179 2.3397 2.3397 3.1336 3.1336 3.3400 3.3400 4.4368 4.4368 12.2609 12.2609 14.7924 14.7924 17.1401 17.1401 18.8423 18.8423 k = 0.2500 0.1443-0.0000 ( 1798 PWs) bands (ev): -67.2126 -67.2126 -34.1601 -34.1601 -33.8789 -33.8789 -33.8661 -33.8661 -14.4171 -14.4171 -13.0200 -13.0200 -2.3022 -2.3022 0.3935 0.3935 2.2645 2.2645 3.0790 3.0790 3.3218 3.3218 4.4297 4.4297 12.3624 12.3624 14.8399 14.8399 17.0682 17.0682 18.8002 18.8002 k = 0.2583 0.1491-0.0000 ( 1798 PWs) bands (ev): -67.2125 -67.2125 -34.1606 -34.1606 -33.8798 -33.8798 -33.8662 -33.8662 -14.3917 -14.3917 -13.0252 -13.0252 -2.2648 -2.2648 0.3685 0.3685 2.1897 2.1897 3.0255 3.0255 3.3037 3.3037 4.4225 4.4225 12.4633 12.4633 14.8821 14.8821 17.0000 17.0000 18.7588 18.7588 k = 0.2667 0.1540-0.0000 ( 1794 PWs) bands (ev): -67.2124 -67.2124 -34.1611 -34.1611 -33.8806 -33.8806 -33.8662 -33.8662 -14.3659 -14.3659 -13.0308 -13.0308 -2.2267 -2.2267 0.3432 0.3432 2.1154 2.1154 2.9733 2.9733 3.2859 3.2859 4.4152 4.4152 12.5634 12.5634 14.9186 14.9186 16.9357 16.9357 18.7180 18.7180 k = 0.2750 0.1588-0.0000 ( 1796 PWs) bands (ev): -67.2123 -67.2123 -34.1617 -34.1617 -33.8815 -33.8815 -33.8663 -33.8663 -14.3398 -14.3398 -13.0367 -13.0367 -2.1879 -2.1879 0.3173 0.3173 2.0419 2.0419 2.9223 2.9223 3.2683 3.2683 4.4080 4.4080 12.6626 12.6626 14.9490 14.9490 16.8757 16.8757 18.6777 18.6777 k = 0.2833 0.1636-0.0000 ( 1804 PWs) bands (ev): -67.2122 -67.2122 -34.1622 -34.1622 -33.8825 -33.8825 -33.8664 -33.8664 -14.3135 -14.3135 -13.0430 -13.0430 -2.1486 -2.1486 0.2910 0.2910 1.9691 1.9691 2.8725 2.8725 3.2510 3.2510 4.4007 4.4007 12.7606 12.7606 14.9730 14.9730 16.8200 16.8200 18.6380 18.6380 k = 0.2917 0.1684-0.0000 ( 1798 PWs) bands (ev): -67.2121 -67.2121 -34.1627 -34.1627 -33.8833 -33.8833 -33.8664 -33.8664 -14.2869 -14.2869 -13.0497 -13.0497 -2.1087 -2.1087 0.2644 0.2644 1.8976 1.8976 2.8242 2.8242 3.2341 3.2341 4.3935 4.3935 12.8575 12.8575 14.9905 14.9905 16.7687 16.7687 18.5988 18.5988 k = 0.3000 0.1732-0.0000 ( 1802 PWs) bands (ev): -67.2120 -67.2120 -34.1633 -34.1633 -33.8842 -33.8842 -33.8665 -33.8665 -14.2602 -14.2602 -13.0568 -13.0568 -2.0684 -2.0684 0.2373 0.2373 1.8274 1.8274 2.7772 2.7772 3.2175 3.2175 4.3863 4.3863 12.9530 12.9530 15.0015 15.0015 16.7216 16.7216 18.5602 18.5602 k = 0.3083 0.1780-0.0000 ( 1808 PWs) bands (ev): -67.2118 -67.2118 -34.1638 -34.1638 -33.8850 -33.8850 -33.8665 -33.8665 -14.2333 -14.2333 -13.0642 -13.0642 -2.0277 -2.0277 0.2100 0.2100 1.7586 1.7586 2.7317 2.7317 3.2013 3.2013 4.3791 4.3791 13.0469 13.0469 15.0061 15.0061 16.6785 16.6785 18.5222 18.5222 k = 0.3167 0.1828-0.0000 ( 1804 PWs) bands (ev): -67.2117 -67.2117 -34.1643 -34.1643 -33.8858 -33.8858 -33.8665 -33.8665 -14.2064 -14.2064 -13.0721 -13.0721 -1.9867 -1.9867 0.1824 0.1824 1.6915 1.6915 2.6877 2.6877 3.1855 3.1855 4.3720 4.3720 13.1392 13.1392 15.0048 15.0048 16.6391 16.6391 18.4849 18.4849 k = 0.3250 0.1876-0.0000 ( 1800 PWs) bands (ev): -67.2116 -67.2116 -34.1648 -34.1648 -33.8866 -33.8866 -33.8666 -33.8666 -14.1795 -14.1795 -13.0803 -13.0803 -1.9455 -1.9455 0.1546 0.1546 1.6262 1.6262 2.6453 2.6453 3.1702 3.1702 4.3652 4.3652 13.2297 13.2297 14.9980 14.9980 16.6030 16.6030 18.4484 18.4484 k = 0.3333 0.1925-0.0000 ( 1806 PWs) bands (ev): -67.2115 -67.2115 -34.1653 -34.1653 -33.8874 -33.8874 -33.8666 -33.8666 -14.1527 -14.1527 -13.0889 -13.0889 -1.9042 -1.9042 0.1265 0.1265 1.5627 1.5627 2.6044 2.6044 3.1554 3.1554 4.3583 4.3583 13.3181 13.3181 14.9863 14.9863 16.5696 16.5696 18.4127 18.4127 k = 0.3417 0.1973-0.0000 ( 1806 PWs) bands (ev): -67.2114 -67.2114 -34.1658 -34.1658 -33.8882 -33.8882 -33.8666 -33.8666 -14.1260 -14.1260 -13.0979 -13.0979 -1.8628 -1.8628 0.0983 0.0983 1.5013 1.5013 2.5651 2.5651 3.1411 3.1411 4.3518 4.3518 13.4044 13.4044 14.9704 14.9704 16.5384 16.5384 18.3779 18.3779 k = 0.3500 0.2021-0.0000 ( 1806 PWs) bands (ev): -67.2113 -67.2113 -34.1662 -34.1662 -33.8889 -33.8889 -33.8666 -33.8666 -14.0995 -14.0995 -13.1072 -13.1072 -1.8215 -1.8215 0.0701 0.0701 1.4421 1.4421 2.5275 2.5275 3.1274 3.1274 4.3454 4.3454 13.4884 13.4884 14.9509 14.9509 16.5091 16.5091 18.3443 18.3443 k = 0.3583 0.2069-0.0000 ( 1810 PWs) bands (ev): -67.2113 -67.2113 -34.1667 -34.1667 -33.8897 -33.8897 -33.8667 -33.8667 -14.0733 -14.0733 -13.1168 -13.1168 -1.7803 -1.7803 0.0417 0.0417 1.3852 1.3852 2.4917 2.4917 3.1142 3.1142 4.3391 4.3391 13.5700 13.5700 14.9285 14.9285 16.4812 16.4812 18.3117 18.3117 k = 0.3667 0.2117-0.0000 ( 1810 PWs) bands (ev): -67.2112 -67.2112 -34.1671 -34.1671 -33.8904 -33.8904 -33.8667 -33.8667 -14.0475 -14.0475 -13.1267 -13.1267 -1.7395 -1.7395 0.0135 0.0135 1.3308 1.3308 2.4576 2.4576 3.1017 3.1017 4.3332 4.3332 13.6491 13.6491 14.9039 14.9039 16.4544 16.4544 18.2805 18.2805 k = 0.3750 0.2165-0.0000 ( 1810 PWs) bands (ev): -67.2111 -67.2111 -34.1675 -34.1675 -33.8910 -33.8910 -33.8667 -33.8667 -14.0221 -14.0221 -13.1369 -13.1369 -1.6991 -1.6991 -0.0147 -0.0147 1.2790 1.2790 2.4254 2.4254 3.0898 3.0898 4.3275 4.3275 13.7254 13.7254 14.8777 14.8777 16.4284 16.4284 18.2506 18.2506 k = 0.3833 0.2213-0.0000 ( 1812 PWs) bands (ev): -67.2110 -67.2110 -34.1679 -34.1679 -33.8916 -33.8916 -33.8667 -33.8667 -13.9973 -13.9973 -13.1472 -13.1472 -1.6593 -1.6593 -0.0426 -0.0426 1.2299 1.2299 2.3950 2.3950 3.0785 3.0785 4.3220 4.3220 13.7990 13.7990 14.8505 14.8505 16.4030 16.4030 18.2222 18.2222 k = 0.3917 0.2261-0.0000 ( 1808 PWs) bands (ev): -67.2109 -67.2109 -34.1683 -34.1683 -33.8922 -33.8922 -33.8667 -33.8667 -13.9731 -13.9731 -13.1577 -13.1577 -1.6203 -1.6203 -0.0702 -0.0702 1.1836 1.1836 2.3665 2.3665 3.0680 3.0680 4.3169 4.3169 13.8696 13.8696 14.8227 14.8227 16.3783 16.3783 18.1953 18.1953 k = 0.4000 0.2309-0.0000 ( 1808 PWs) bands (ev): -67.2109 -67.2109 -34.1686 -34.1686 -33.8927 -33.8927 -33.8667 -33.8667 -13.9497 -13.9497 -13.1683 -13.1683 -1.5823 -1.5823 -0.0974 -0.0974 1.1403 1.1403 2.3400 2.3400 3.0582 3.0582 4.3120 4.3120 13.9371 13.9371 14.7948 14.7948 16.3541 16.3541 18.1701 18.1701 k = 0.4083 0.2358-0.0000 ( 1810 PWs) bands (ev): -67.2108 -67.2108 -34.1690 -34.1690 -33.8933 -33.8933 -33.8667 -33.8667 -13.9271 -13.9271 -13.1789 -13.1789 -1.5455 -1.5455 -0.1239 -0.1239 1.0999 1.0999 2.3154 2.3154 3.0491 3.0491 4.3075 4.3075 14.0013 14.0013 14.7669 14.7669 16.3306 16.3306 18.1466 18.1466 k = 0.4167 0.2406-0.0000 ( 1806 PWs) bands (ev): -67.2107 -67.2107 -34.1692 -34.1692 -33.8937 -33.8937 -33.8667 -33.8667 -13.9056 -13.9056 -13.1893 -13.1893 -1.5101 -1.5101 -0.1497 -0.1497 1.0628 1.0628 2.2929 2.2929 3.0407 3.0407 4.3034 4.3034 14.0622 14.0622 14.7395 14.7395 16.3079 16.3079 18.1250 18.1250 k = 0.4250 0.2454-0.0000 ( 1810 PWs) bands (ev): -67.2107 -67.2107 -34.1695 -34.1695 -33.8941 -33.8941 -33.8667 -33.8667 -13.8853 -13.8853 -13.1995 -13.1995 -1.4765 -1.4765 -0.1744 -0.1744 1.0288 1.0288 2.2724 2.2724 3.0330 3.0330 4.2995 4.2995 14.1196 14.1196 14.7127 14.7127 16.2863 16.2863 18.1052 18.1052 k = 0.4333 0.2502-0.0000 ( 1810 PWs) bands (ev): -67.2106 -67.2106 -34.1698 -34.1698 -33.8945 -33.8945 -33.8667 -33.8667 -13.8663 -13.8663 -13.2093 -13.2093 -1.4449 -1.4449 -0.1979 -0.1979 0.9982 0.9982 2.2539 2.2539 3.0262 3.0262 4.2961 4.2961 14.1735 14.1735 14.6866 14.6866 16.2658 16.2658 18.0873 18.0873 k = 0.4417 0.2550-0.0000 ( 1810 PWs) bands (ev): -67.2106 -67.2106 -34.1700 -34.1700 -33.8949 -33.8949 -33.8667 -33.8667 -13.8488 -13.8488 -13.2187 -13.2187 -1.4157 -1.4157 -0.2198 -0.2198 0.9710 0.9710 2.2376 2.2376 3.0201 3.0201 4.2930 4.2930 14.2238 14.2238 14.6611 14.6611 16.2469 16.2469 18.0715 18.0715 k = 0.4500 0.2598-0.0000 ( 1814 PWs) bands (ev): -67.2105 -67.2105 -34.1702 -34.1702 -33.8952 -33.8952 -33.8667 -33.8667 -13.8331 -13.8331 -13.2273 -13.2273 -1.3892 -1.3892 -0.2398 -0.2398 0.9473 0.9473 2.2233 2.2233 3.0148 3.0148 4.2903 4.2903 14.2705 14.2705 14.6363 14.6363 16.2297 16.2297 18.0576 18.0576 k = 0.4583 0.2646-0.0000 ( 1806 PWs) bands (ev): -67.2105 -67.2105 -34.1704 -34.1704 -33.8954 -33.8954 -33.8667 -33.8667 -13.8193 -13.8193 -13.2350 -13.2350 -1.3658 -1.3658 -0.2576 -0.2576 0.9271 0.9271 2.2113 2.2113 3.0103 3.0103 4.2881 4.2881 14.3136 14.3136 14.6120 14.6120 16.2146 16.2146 18.0459 18.0459 k = 0.4667 0.2694-0.0000 ( 1812 PWs) bands (ev): -67.2105 -67.2105 -34.1705 -34.1705 -33.8956 -33.8956 -33.8667 -33.8667 -13.8076 -13.8076 -13.2417 -13.2417 -1.3460 -1.3460 -0.2728 -0.2728 0.9105 0.9105 2.2014 2.2014 3.0066 3.0066 4.2862 4.2862 14.3532 14.3532 14.5880 14.5880 16.2018 16.2018 18.0362 18.0362 k = 0.4750 0.2742-0.0000 ( 1812 PWs) bands (ev): -67.2105 -67.2105 -34.1706 -34.1706 -33.8958 -33.8958 -33.8667 -33.8667 -13.7983 -13.7983 -13.2472 -13.2472 -1.3301 -1.3301 -0.2851 -0.2851 0.8976 0.8976 2.1936 2.1936 3.0037 3.0037 4.2847 4.2847 14.3893 14.3893 14.5641 14.5641 16.1915 16.1915 18.0286 18.0286 k = 0.4833 0.2791-0.0000 ( 1812 PWs) bands (ev): -67.2104 -67.2104 -34.1707 -34.1707 -33.8959 -33.8959 -33.8667 -33.8667 -13.7915 -13.7915 -13.2512 -13.2512 -1.3185 -1.3185 -0.2942 -0.2942 0.8883 0.8883 2.1881 2.1881 3.0017 3.0017 4.2837 4.2837 14.4221 14.4221 14.5403 14.5403 16.1840 16.1840 18.0232 18.0232 k = 0.4917 0.2839-0.0000 ( 1812 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8667 -33.8667 -13.7873 -13.7873 -13.2536 -13.2536 -1.3114 -1.3114 -0.2997 -0.2997 0.8827 0.8827 2.1848 2.1848 3.0004 3.0004 4.2831 4.2831 14.4506 14.4506 14.5171 14.5171 16.1795 16.1795 18.0200 18.0200 k = 0.5000 0.2887-0.0000 ( 1816 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8667 -33.8667 -13.7859 -13.7859 -13.2545 -13.2545 -1.3090 -1.3090 -0.3016 -0.3016 0.8808 0.8808 2.1837 2.1837 3.0000 3.0000 4.2828 4.2828 14.4667 14.4667 14.5028 14.5028 16.1779 16.1779 18.0189 18.0189 k = 0.5000 0.2887-0.0000 ( 1816 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8667 -33.8667 -13.7859 -13.7859 -13.2545 -13.2545 -1.3090 -1.3090 -0.3016 -0.3016 0.8808 0.8808 2.1837 2.1837 3.0000 3.0000 4.2828 4.2828 14.4667 14.4667 14.5028 14.5028 16.1779 16.1779 18.0189 18.0189 k = 0.4952 0.2969-0.0000 ( 1814 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8667 -33.8667 -13.7856 -13.7856 -13.2546 -13.2546 -1.3085 -1.3085 -0.3019 -0.3019 0.8814 0.8814 2.1840 2.1840 2.9983 2.9983 4.2813 4.2813 14.4685 14.4685 14.5058 14.5058 16.1775 16.1775 18.0192 18.0192 k = 0.4905 0.3052-0.0000 ( 1814 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8667 -33.8667 -13.7847 -13.7847 -13.2549 -13.2549 -1.3070 -1.3070 -0.3030 -0.3030 0.8832 0.8832 2.1850 2.1850 2.9931 2.9931 4.2767 4.2767 14.4741 14.4741 14.5146 14.5146 16.1761 16.1761 18.0200 18.0200 k = 0.4857 0.3134-0.0000 ( 1810 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8668 -33.8668 -13.7832 -13.7832 -13.2555 -13.2555 -1.3045 -1.3045 -0.3047 -0.3047 0.8863 0.8863 2.1866 2.1866 2.9846 2.9846 4.2689 4.2689 14.4834 14.4834 14.5292 14.5292 16.1740 16.1740 18.0214 18.0214 k = 0.4810 0.3217-0.0000 ( 1806 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8959 -33.8959 -33.8669 -33.8669 -13.7810 -13.7810 -13.2564 -13.2564 -1.3011 -1.3011 -0.3070 -0.3070 0.8904 0.8904 2.1889 2.1889 2.9728 2.9728 4.2582 4.2582 14.4963 14.4963 14.5495 14.5495 16.1709 16.1709 18.0234 18.0234 k = 0.4762 0.3299-0.0000 ( 1805 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8959 -33.8959 -33.8670 -33.8670 -13.7782 -13.7782 -13.2575 -13.2575 -1.2967 -1.2967 -0.3101 -0.3101 0.8958 0.8958 2.1917 2.1917 2.9577 2.9577 4.2446 4.2446 14.5128 14.5128 14.5754 14.5754 16.1670 16.1670 18.0260 18.0260 k = 0.4714 0.3382-0.0000 ( 1809 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8959 -33.8959 -33.8671 -33.8671 -13.7748 -13.7748 -13.2588 -13.2588 -1.2913 -1.2913 -0.3139 -0.3139 0.9022 0.9022 2.1952 2.1952 2.9396 2.9396 4.2281 4.2281 14.5326 14.5326 14.6064 14.6064 16.1621 16.1621 18.0291 18.0291 k = 0.4667 0.3464-0.0000 ( 1805 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8959 -33.8959 -33.8673 -33.8673 -13.7708 -13.7708 -13.2604 -13.2604 -1.2849 -1.2849 -0.3183 -0.3183 0.9098 0.9098 2.1992 2.1992 2.9186 2.9186 4.2089 4.2089 14.5556 14.5556 14.6425 14.6425 16.1565 16.1565 18.0328 18.0328 k = 0.4619 0.3547-0.0000 ( 1809 PWs) bands (ev): -67.2104 -67.2104 -34.1709 -34.1709 -33.8958 -33.8958 -33.8675 -33.8675 -13.7662 -13.7662 -13.2623 -13.2623 -1.2776 -1.2776 -0.3235 -0.3235 0.9185 0.9185 2.2037 2.2037 2.8948 2.8948 4.1872 4.1872 14.5818 14.5818 14.6833 14.6833 16.1499 16.1499 18.0370 18.0370 k = 0.4571 0.3629-0.0000 ( 1809 PWs) bands (ev): -67.2104 -67.2104 -34.1709 -34.1709 -33.8958 -33.8958 -33.8677 -33.8677 -13.7611 -13.7611 -13.2645 -13.2645 -1.2693 -1.2693 -0.3294 -0.3294 0.9283 0.9283 2.2088 2.2088 2.8684 2.8684 4.1630 4.1630 14.6109 14.6109 14.7285 14.7285 16.1425 16.1425 18.0417 18.0417 k = 0.4524 0.3712-0.0000 ( 1813 PWs) bands (ev): -67.2103 -67.2103 -34.1710 -34.1710 -33.8958 -33.8958 -33.8679 -33.8679 -13.7553 -13.7553 -13.2669 -13.2669 -1.2601 -1.2601 -0.3359 -0.3359 0.9390 0.9390 2.2143 2.2143 2.8396 2.8396 4.1367 4.1367 14.6428 14.6428 14.7775 14.7775 16.1342 16.1342 18.0470 18.0470 k = 0.4476 0.3794-0.0000 ( 1819 PWs) bands (ev): -67.2103 -67.2103 -34.1710 -34.1710 -33.8957 -33.8957 -33.8682 -33.8682 -13.7490 -13.7490 -13.2697 -13.2697 -1.2500 -1.2500 -0.3433 -0.3433 0.9507 0.9507 2.2202 2.2202 2.8087 2.8087 4.1083 4.1083 14.6771 14.6771 14.8301 14.8301 16.1251 16.1251 18.0527 18.0528 k = 0.4429 0.3876-0.0000 ( 1823 PWs) bands (ev): -67.2103 -67.2103 -34.1711 -34.1711 -33.8957 -33.8957 -33.8685 -33.8685 -13.7421 -13.7421 -13.2727 -13.2727 -1.2389 -1.2389 -0.3513 -0.3513 0.9634 0.9634 2.2265 2.2265 2.7761 2.7761 4.0780 4.0780 14.7137 14.7137 14.8858 14.8858 16.1151 16.1151 18.0590 18.0590 k = 0.4381 0.3959-0.0000 ( 1823 PWs) bands (ev): -67.2103 -67.2103 -34.1711 -34.1711 -33.8956 -33.8956 -33.8687 -33.8687 -13.7347 -13.7347 -13.2761 -13.2761 -1.2269 -1.2269 -0.3601 -0.3601 0.9769 0.9769 2.2330 2.2330 2.7418 2.7418 4.0463 4.0463 14.7524 14.7524 14.9440 14.9440 16.1043 16.1043 18.0657 18.0657 k = 0.4333 0.4041-0.0000 ( 1823 PWs) bands (ev): -67.2103 -67.2103 -34.1712 -34.1712 -33.8956 -33.8956 -33.8690 -33.8690 -13.7267 -13.7267 -13.2799 -13.2799 -1.2139 -1.2139 -0.3696 -0.3696 0.9912 0.9912 2.2398 2.2398 2.7063 2.7063 4.0131 4.0131 14.7928 14.7928 15.0043 15.0043 16.0927 16.0927 18.0729 18.0729 k = 0.4286 0.4124-0.0000 ( 1823 PWs) bands (ev): -67.2102 -67.2102 -34.1712 -34.1712 -33.8955 -33.8955 -33.8693 -33.8693 -13.7182 -13.7182 -13.2840 -13.2840 -1.2001 -1.2001 -0.3799 -0.3799 1.0062 1.0062 2.2468 2.2468 2.6698 2.6698 3.9788 3.9788 14.8349 14.8349 15.0660 15.0660 16.0803 16.0803 18.0805 18.0805 k = 0.4238 0.4206-0.0000 ( 1821 PWs) bands (ev): -67.2102 -67.2102 -34.1713 -34.1713 -33.8955 -33.8955 -33.8696 -33.8696 -13.7092 -13.7092 -13.2884 -13.2884 -1.1854 -1.1854 -0.3910 -0.3910 1.0218 1.0218 2.2538 2.2538 2.6326 2.6326 3.9437 3.9437 14.8782 14.8782 15.1286 15.1286 16.0672 16.0672 18.0884 18.0884 k = 0.4190 0.4289-0.0000 ( 1817 PWs) bands (ev): -67.2102 -67.2102 -34.1713 -34.1713 -33.8954 -33.8954 -33.8698 -33.8698 -13.6997 -13.6997 -13.2933 -13.2933 -1.1698 -1.1698 -0.4028 -0.4028 1.0379 1.0379 2.2608 2.2608 2.5951 2.5951 3.9080 3.9080 14.9226 14.9226 15.1915 15.1915 16.0533 16.0533 18.0966 18.0966 k = 0.4143 0.4371-0.0000 ( 1821 PWs) bands (ev): -67.2102 -67.2102 -34.1714 -34.1714 -33.8954 -33.8954 -33.8701 -33.8701 -13.6897 -13.6897 -13.2985 -13.2985 -1.1533 -1.1533 -0.4154 -0.4154 1.0544 1.0544 2.2676 2.2676 2.5574 2.5574 3.8720 3.8720 14.9677 14.9677 15.2541 15.2541 16.0387 16.0387 18.1051 18.1051 k = 0.4095 0.4454-0.0000 ( 1821 PWs) bands (ev): -67.2102 -67.2102 -34.1714 -34.1714 -33.8954 -33.8954 -33.8704 -33.8704 -13.6793 -13.6793 -13.3042 -13.3042 -1.1360 -1.1360 -0.4289 -0.4289 1.0711 1.0711 2.2742 2.2742 2.5201 2.5201 3.8360 3.8360 15.0135 15.0135 15.3158 15.3159 16.0234 16.0234 18.1138 18.1138 k = 0.4048 0.4536-0.0000 ( 1821 PWs) bands (ev): -67.2101 -67.2101 -34.1715 -34.1715 -33.8954 -33.8954 -33.8707 -33.8707 -13.6684 -13.6684 -13.3104 -13.3104 -1.1179 -1.1179 -0.4431 -0.4431 1.0880 1.0880 2.2804 2.2804 2.4835 2.4835 3.8003 3.8003 15.0596 15.0596 15.3761 15.3761 16.0075 16.0075 18.1226 18.1226 k = 0.4000 0.4619-0.0000 ( 1821 PWs) bands (ev): -67.2101 -67.2101 -34.1716 -34.1716 -33.8953 -33.8953 -33.8710 -33.8710 -13.6571 -13.6571 -13.3169 -13.3169 -1.0990 -1.0990 -0.4582 -0.4582 1.1048 1.1048 2.2861 2.2861 2.4478 2.4478 3.7651 3.7651 15.1058 15.1058 15.4342 15.4342 15.9910 15.9910 18.1315 18.1315 k = 0.3952 0.4701-0.0000 ( 1821 PWs) bands (ev): -67.2101 -67.2101 -34.1716 -34.1716 -33.8953 -33.8953 -33.8713 -33.8713 -13.6454 -13.6454 -13.3240 -13.3240 -1.0792 -1.0792 -0.4741 -0.4741 1.1214 1.1214 2.2911 2.2911 2.4136 2.4136 3.7309 3.7309 15.1519 15.1519 15.4897 15.4897 15.9738 15.9738 18.1403 18.1403 k = 0.3905 0.4784-0.0000 ( 1817 PWs) bands (ev): -67.2101 -67.2101 -34.1717 -34.1717 -33.8953 -33.8953 -33.8715 -33.8715 -13.6333 -13.6333 -13.3316 -13.3316 -1.0587 -1.0587 -0.4908 -0.4908 1.1376 1.1376 2.2952 2.2952 2.3813 2.3813 3.6979 3.6979 15.1976 15.1976 15.5419 15.5419 15.9562 15.9562 18.1490 18.1490 k = 0.3857 0.4866-0.0000 ( 1819 PWs) bands (ev): -67.2100 -67.2100 -34.1717 -34.1717 -33.8952 -33.8952 -33.8718 -33.8718 -13.6209 -13.6209 -13.3396 -13.3396 -1.0375 -1.0375 -0.5084 -0.5084 1.1531 1.1531 2.2981 2.2981 2.3514 2.3514 3.6663 3.6663 15.2428 15.2428 15.5905 15.5905 15.9381 15.9381 18.1574 18.1574 k = 0.3810 0.4949-0.0000 ( 1817 PWs) bands (ev): -67.2100 -67.2100 -34.1718 -34.1718 -33.8952 -33.8952 -33.8720 -33.8720 -13.6081 -13.6081 -13.3482 -13.3482 -1.0156 -1.0156 -0.5268 -0.5268 1.1678 1.1678 2.2990 2.2990 2.3248 2.3248 3.6366 3.6366 15.2873 15.2873 15.6348 15.6348 15.9197 15.9197 18.1655 18.1655 k = 0.3762 0.5031-0.0000 ( 1815 PWs) bands (ev): -67.2100 -67.2100 -34.1718 -34.1718 -33.8952 -33.8952 -33.8722 -33.8722 -13.5950 -13.5950 -13.3574 -13.3574 -0.9929 -0.9929 -0.5462 -0.5462 1.1814 1.1814 2.2920 2.2920 2.3078 2.3078 3.6090 3.6090 15.3310 15.3310 15.6745 15.6745 15.9010 15.9010 18.1731 18.1731 k = 0.3714 0.5114-0.0000 ( 1811 PWs) bands (ev): -67.2100 -67.2100 -34.1719 -34.1719 -33.8952 -33.8952 -33.8723 -33.8723 -13.5816 -13.5816 -13.3671 -13.3671 -0.9695 -0.9695 -0.5664 -0.5664 1.1938 1.1938 2.2738 2.2738 2.3040 2.3040 3.5837 3.5837 15.3736 15.3736 15.7088 15.7088 15.8825 15.8825 18.1802 18.1802 k = 0.3667 0.5196-0.0000 ( 1799 PWs) bands (ev): -67.2099 -67.2099 -34.1719 -34.1719 -33.8952 -33.8952 -33.8725 -33.8725 -13.5679 -13.5679 -13.3774 -13.3774 -0.9455 -0.9455 -0.5875 -0.5875 1.2048 1.2048 2.2564 2.2564 2.3016 2.3016 3.5611 3.5611 15.4151 15.4151 15.7368 15.7368 15.8649 15.8649 18.1866 18.1866 k = 0.3619 0.5279-0.0000 ( 1799 PWs) bands (ev): -67.2099 -67.2099 -34.1719 -34.1719 -33.8952 -33.8952 -33.8726 -33.8726 -13.5540 -13.5540 -13.3882 -13.3882 -0.9209 -0.9209 -0.6095 -0.6095 1.2142 1.2142 2.2424 2.2424 2.2980 2.2980 3.5412 3.5412 15.4553 15.4553 15.7567 15.7567 15.8498 15.8498 18.1922 18.1922 k = 0.3571 0.5361-0.0000 ( 1805 PWs) bands (ev): -67.2099 -67.2099 -34.1720 -34.1720 -33.8952 -33.8952 -33.8727 -33.8727 -13.5398 -13.5398 -13.3997 -13.3997 -0.8956 -0.8956 -0.6325 -0.6325 1.2218 1.2218 2.2322 2.2322 2.2929 2.2929 3.5242 3.5242 15.4941 15.4941 15.7647 15.7647 15.8410 15.8410 18.1970 18.1970 k = 0.3524 0.5444-0.0000 ( 1805 PWs) bands (ev): -67.2099 -67.2099 -34.1720 -34.1720 -33.8952 -33.8952 -33.8728 -33.8728 -13.5255 -13.5255 -13.4118 -13.4118 -0.8698 -0.8698 -0.6563 -0.6563 1.2278 1.2278 2.2262 2.2262 2.2864 2.2864 3.5103 3.5103 15.5315 15.5315 15.7583 15.7583 15.8410 15.8410 18.2009 18.2009 k = 0.3476 0.5526-0.0000 ( 1805 PWs) bands (ev): -67.2099 -67.2099 -34.1720 -34.1720 -33.8952 -33.8952 -33.8729 -33.8729 -13.5109 -13.5109 -13.4245 -13.4245 -0.8434 -0.8434 -0.6811 -0.6811 1.2322 1.2322 2.2244 2.2244 2.2785 2.2785 3.4995 3.4995 15.5672 15.5672 15.7416 15.7416 15.8458 15.8458 18.2039 18.2039 k = 0.3429 0.5609-0.0000 ( 1803 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8952 -33.8952 -33.8729 -33.8729 -13.4962 -13.4962 -13.4379 -13.4379 -0.8165 -0.8165 -0.7069 -0.7069 1.2350 1.2350 2.2266 2.2266 2.2693 2.2693 3.4919 3.4919 15.6014 15.6014 15.7194 15.7194 15.8508 15.8508 18.2060 18.2060 k = 0.3381 0.5691-0.0000 ( 1803 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8953 -33.8953 -33.8730 -33.8730 -13.4814 -13.4814 -13.4518 -13.4518 -0.7891 -0.7891 -0.7335 -0.7335 1.2364 1.2364 2.2324 2.2324 2.2593 2.2593 3.4874 3.4874 15.6337 15.6337 15.6938 15.6938 15.8541 15.8541 18.2072 18.2072 k = 0.3333 0.5774-0.0000 ( 1803 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8953 -33.8953 -33.8730 -33.8730 -13.4668 -13.4668 -13.4662 -13.4662 -0.7620 -0.7620 -0.7604 -0.7604 1.2369 1.2369 2.2379 2.2379 2.2525 2.2525 3.4859 3.4859 15.6605 15.6605 15.6693 15.6693 15.8551 15.8551 18.2076 18.2076 k = 0.3333 0.5774-0.0000 ( 1803 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8953 -33.8953 -33.8730 -33.8730 -13.4668 -13.4668 -13.4662 -13.4662 -0.7620 -0.7620 -0.7604 -0.7604 1.2369 1.2369 2.2379 2.2379 2.2525 2.2525 3.4859 3.4859 15.6605 15.6605 15.6692 15.6693 15.8551 15.8551 18.2076 18.2076 k = 0.3285 0.5690-0.0000 ( 1803 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8953 -33.8953 -33.8730 -33.8730 -13.4820 -13.4820 -13.4513 -13.4513 -0.7902 -0.7902 -0.7324 -0.7324 1.2365 1.2365 2.2302 2.2302 2.2615 2.2615 3.4874 3.4874 15.6328 15.6328 15.6946 15.6946 15.8542 15.8542 18.2073 18.2073 k = 0.3237 0.5606-0.0000 ( 1805 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8953 -33.8953 -33.8729 -33.8729 -13.4982 -13.4982 -13.4360 -13.4360 -0.8201 -0.8201 -0.7033 -0.7033 1.2358 1.2358 2.2173 2.2173 2.2787 2.2787 3.4917 3.4917 15.5982 15.5982 15.7221 15.7221 15.8515 15.8515 18.2063 18.2063 k = 0.3188 0.5522-0.0000 ( 1805 PWs) bands (ev): -67.2099 -67.2099 -34.1720 -34.1720 -33.8952 -33.8952 -33.8729 -33.8729 -13.5151 -13.5151 -13.4207 -13.4207 -0.8511 -0.8511 -0.6738 -0.6738 1.2350 1.2350 2.2032 2.2032 2.2996 2.2996 3.4987 3.4987 15.5604 15.5604 15.7478 15.7478 15.8478 15.8478 18.2048 18.2048 k = 0.3140 0.5439-0.0000 ( 1805 PWs) bands (ev): -67.2099 -67.2099 -34.1720 -34.1720 -33.8952 -33.8952 -33.8728 -33.8728 -13.5326 -13.5326 -13.4054 -13.4054 -0.8829 -0.8829 -0.6439 -0.6439 1.2345 1.2345 2.1886 2.1886 2.3236 2.3236 3.5082 3.5082 15.5192 15.5192 15.7717 15.7717 15.8434 15.8434 18.2030 18.2030 k = 0.3092 0.5355-0.0000 ( 1805 PWs) bands (ev): -67.2099 -67.2099 -34.1719 -34.1719 -33.8951 -33.8951 -33.8728 -33.8728 -13.5508 -13.5508 -13.3901 -13.3901 -0.9157 -0.9157 -0.6137 -0.6137 1.2347 1.2347 2.1740 2.1740 2.3503 2.3503 3.5199 3.5199 15.4745 15.4745 15.7936 15.7936 15.8391 15.8391 18.2012 18.2012 k = 0.3043 0.5271-0.0000 ( 1813 PWs) bands (ev): -67.2099 -67.2099 -34.1719 -34.1719 -33.8951 -33.8951 -33.8727 -33.8727 -13.5697 -13.5697 -13.3749 -13.3749 -0.9495 -0.9495 -0.5833 -0.5833 1.2358 1.2358 2.1596 2.1596 2.3791 2.3791 3.5338 3.5338 15.4261 15.4261 15.8136 15.8136 15.8351 15.8351 18.1993 18.1993 k = 0.2995 0.5188-0.0000 ( 1813 PWs) bands (ev): -67.2100 -67.2100 -34.1718 -34.1718 -33.8950 -33.8950 -33.8726 -33.8726 -13.5892 -13.5892 -13.3598 -13.3598 -0.9842 -0.9842 -0.5526 -0.5526 1.2383 1.2383 2.1457 2.1457 2.4101 2.4101 3.5495 3.5495 15.3739 15.3739 15.8307 15.8307 15.8330 15.8330 18.1978 18.1978 k = 0.2947 0.5104-0.0000 ( 1817 PWs) bands (ev): -67.2100 -67.2100 -34.1717 -34.1717 -33.8949 -33.8949 -33.8724 -33.8724 -13.6094 -13.6094 -13.3447 -13.3447 -1.0197 -1.0197 -0.5216 -0.5216 1.2422 1.2422 2.1325 2.1325 2.4427 2.4427 3.5669 3.5669 15.3179 15.3179 15.8299 15.8299 15.8479 15.8479 18.1967 18.1967 k = 0.2899 0.5020-0.0000 ( 1815 PWs) bands (ev): -67.2100 -67.2100 -34.1716 -34.1716 -33.8948 -33.8948 -33.8723 -33.8723 -13.6302 -13.6302 -13.3298 -13.3298 -1.0561 -1.0561 -0.4905 -0.4905 1.2480 1.2480 2.1202 2.1202 2.4768 2.4768 3.5859 3.5859 15.2582 15.2582 15.8294 15.8294 15.8619 15.8619 18.1963 18.1963 k = 0.2850 0.4937-0.0000 ( 1815 PWs) bands (ev): -67.2101 -67.2101 -34.1715 -34.1715 -33.8946 -33.8946 -33.8722 -33.8722 -13.6516 -13.6516 -13.3150 -13.3150 -1.0933 -1.0933 -0.4593 -0.4593 1.2557 1.2557 2.1090 2.1090 2.5122 2.5122 3.6062 3.6062 15.1949 15.1949 15.8306 15.8306 15.8739 15.8739 18.1967 18.1967 k = 0.2802 0.4853-0.0000 ( 1807 PWs) bands (ev): -67.2101 -67.2101 -34.1713 -34.1713 -33.8944 -33.8944 -33.8720 -33.8720 -13.6736 -13.6736 -13.3004 -13.3004 -1.1312 -1.1312 -0.4279 -0.4279 1.2656 1.2656 2.0992 2.0992 2.5487 2.5487 3.6278 3.6278 15.1280 15.1280 15.8337 15.8337 15.8838 15.8838 18.1981 18.1981 k = 0.2754 0.4769-0.0000 ( 1807 PWs) bands (ev): -67.2101 -67.2101 -34.1711 -34.1711 -33.8942 -33.8942 -33.8718 -33.8718 -13.6962 -13.6962 -13.2860 -13.2860 -1.1699 -1.1699 -0.3964 -0.3964 1.2778 1.2778 2.0908 2.0908 2.5860 2.5860 3.6503 3.6503 15.0577 15.0577 15.8389 15.8389 15.8915 15.8915 18.2007 18.2007 k = 0.2705 0.4686-0.0000 ( 1803 PWs) bands (ev): -67.2102 -67.2102 -34.1709 -34.1709 -33.8939 -33.8939 -33.8717 -33.8717 -13.7194 -13.7194 -13.2718 -13.2718 -1.2093 -1.2093 -0.3649 -0.3649 1.2923 1.2923 2.0840 2.0840 2.6240 2.6240 3.6737 3.6737 14.9842 14.9842 15.8463 15.8463 15.8969 15.8969 18.2046 18.2046 k = 0.2657 0.4602-0.0000 ( 1803 PWs) bands (ev): -67.2102 -67.2102 -34.1707 -34.1707 -33.8936 -33.8936 -33.8715 -33.8715 -13.7431 -13.7431 -13.2579 -13.2579 -1.2494 -1.2494 -0.3334 -0.3334 1.3094 1.3094 2.0790 2.0790 2.6626 2.6626 3.6979 3.6979 14.9076 14.9076 15.8559 15.8559 15.9000 15.9000 18.2098 18.2098 k = 0.2609 0.4518-0.0000 ( 1803 PWs) bands (ev): -67.2103 -67.2103 -34.1704 -34.1704 -33.8933 -33.8933 -33.8713 -33.8713 -13.7673 -13.7673 -13.2442 -13.2442 -1.2901 -1.2901 -0.3019 -0.3019 1.3291 1.3291 2.0757 2.0757 2.7015 2.7015 3.7227 3.7227 14.8280 14.8280 15.8680 15.8680 15.9007 15.9007 18.2165 18.2165 k = 0.2560 0.4435-0.0000 ( 1807 PWs) bands (ev): -67.2104 -67.2104 -34.1702 -34.1702 -33.8930 -33.8930 -33.8712 -33.8712 -13.7920 -13.7920 -13.2307 -13.2307 -1.3313 -1.3313 -0.2705 -0.2705 1.3513 1.3513 2.0744 2.0744 2.7407 2.7407 3.7480 3.7480 14.7457 14.7457 15.8825 15.8825 15.8990 15.8990 18.2248 18.2248 k = 0.2512 0.4351-0.0000 ( 1803 PWs) bands (ev): -67.2104 -67.2104 -34.1699 -34.1699 -33.8926 -33.8926 -33.8710 -33.8710 -13.8172 -13.8172 -13.2176 -13.2176 -1.3730 -1.3730 -0.2391 -0.2391 1.3763 1.3763 2.0752 2.0752 2.7801 2.7801 3.7738 3.7738 14.6608 14.6608 15.8937 15.8937 15.9005 15.9005 18.2347 18.2347 k = 0.2464 0.4267-0.0000 ( 1815 PWs) bands (ev): -67.2105 -67.2105 -34.1697 -34.1697 -33.8923 -33.8923 -33.8708 -33.8708 -13.8428 -13.8428 -13.2047 -13.2047 -1.4152 -1.4152 -0.2079 -0.2079 1.4040 1.4040 2.0780 2.0780 2.8194 2.8194 3.7998 3.7998 14.5735 14.5735 15.8869 15.8869 15.9199 15.9199 18.2462 18.2462 k = 0.2415 0.4184-0.0000 ( 1815 PWs) bands (ev): -67.2106 -67.2106 -34.1694 -34.1694 -33.8919 -33.8919 -33.8707 -33.8707 -13.8688 -13.8688 -13.1922 -13.1922 -1.4577 -1.4577 -0.1767 -0.1767 1.4344 1.4344 2.0830 2.0830 2.8588 2.8588 3.8261 3.8261 14.4839 14.4839 15.8769 15.8769 15.9425 15.9425 18.2593 18.2593 k = 0.2367 0.4100-0.0000 ( 1811 PWs) bands (ev): -67.2106 -67.2106 -34.1690 -34.1690 -33.8914 -33.8914 -33.8705 -33.8705 -13.8951 -13.8951 -13.1800 -13.1800 -1.5005 -1.5005 -0.1457 -0.1457 1.4676 1.4676 2.0902 2.0902 2.8980 2.8980 3.8526 3.8526 14.3922 14.3922 15.8639 15.8639 15.9679 15.9679 18.2741 18.2741 k = 0.2319 0.4016-0.0000 ( 1807 PWs) bands (ev): -67.2107 -67.2107 -34.1687 -34.1687 -33.8909 -33.8909 -33.8703 -33.8703 -13.9218 -13.9218 -13.1681 -13.1681 -1.5436 -1.5436 -0.1148 -0.1148 1.5035 1.5035 2.0996 2.0996 2.9369 2.9369 3.8792 3.8792 14.2985 14.2985 15.8477 15.8477 15.9963 15.9963 18.2906 18.2906 k = 0.2271 0.3933-0.0000 ( 1809 PWs) bands (ev): -67.2108 -67.2108 -34.1683 -34.1683 -33.8904 -33.8904 -33.8701 -33.8701 -13.9488 -13.9488 -13.1566 -13.1566 -1.5869 -1.5869 -0.0841 -0.0841 1.5421 1.5421 2.1112 2.1112 2.9755 2.9755 3.9057 3.9057 14.2030 14.2030 15.8283 15.8283 16.0275 16.0275 18.3087 18.3087 k = 0.2222 0.3849-0.0000 ( 1809 PWs) bands (ev): -67.2109 -67.2109 -34.1679 -34.1679 -33.8899 -33.8899 -33.8699 -33.8699 -13.9760 -13.9760 -13.1455 -13.1455 -1.6303 -1.6303 -0.0537 -0.0537 1.5834 1.5834 2.1251 2.1251 3.0138 3.0138 3.9322 3.9322 14.1058 14.1058 15.8056 15.8056 16.0617 16.0617 18.3283 18.3283 k = 0.2174 0.3765-0.0000 ( 1809 PWs) bands (ev): -67.2110 -67.2110 -34.1675 -34.1675 -33.8893 -33.8893 -33.8697 -33.8697 -14.0035 -14.0035 -13.1348 -13.1348 -1.6739 -1.6739 -0.0234 -0.0234 1.6273 1.6273 2.1412 2.1412 3.0515 3.0515 3.9586 3.9586 14.0071 14.0071 15.7795 15.7795 16.0990 16.0990 18.3495 18.3495 k = 0.2126 0.3682-0.0000 ( 1809 PWs) bands (ev): -67.2111 -67.2111 -34.1671 -34.1671 -33.8887 -33.8887 -33.8695 -33.8695 -14.0311 -14.0311 -13.1244 -13.1244 -1.7174 -1.7174 0.0066 0.0066 1.6738 1.6738 2.1595 2.1595 3.0888 3.0888 3.9847 3.9847 13.9069 13.9069 15.7499 15.7499 16.1393 16.1393 18.3721 18.3721 k = 0.2077 0.3598-0.0000 ( 1805 PWs) bands (ev): -67.2112 -67.2112 -34.1666 -34.1666 -33.8880 -33.8880 -33.8694 -33.8694 -14.0588 -14.0588 -13.1144 -13.1144 -1.7609 -1.7609 0.0363 0.0363 1.7229 1.7229 2.1800 2.1800 3.1255 3.1255 4.0107 4.0107 13.8055 13.8055 15.7168 15.7168 16.1826 16.1826 18.3962 18.3962 k = 0.2029 0.3514-0.0000 ( 1801 PWs) bands (ev): -67.2113 -67.2113 -34.1662 -34.1662 -33.8874 -33.8874 -33.8692 -33.8692 -14.0867 -14.0867 -13.1048 -13.1048 -1.8043 -1.8043 0.0658 0.0658 1.7744 1.7744 2.2027 2.2027 3.1616 3.1616 4.0363 4.0363 13.7029 13.7029 15.6802 15.6802 16.2291 16.2291 18.4216 18.4216 k = 0.1981 0.3431-0.0000 ( 1801 PWs) bands (ev): -67.2114 -67.2114 -34.1657 -34.1657 -33.8867 -33.8867 -33.8690 -33.8690 -14.1146 -14.1146 -13.0956 -13.0956 -1.8476 -1.8476 0.0950 0.0950 1.8284 1.8284 2.2276 2.2276 3.1970 3.1970 4.0615 4.0615 13.5992 13.5992 15.6400 15.6400 16.2786 16.2786 18.4483 18.4483 k = 0.1932 0.3347-0.0000 ( 1801 PWs) bands (ev): -67.2115 -67.2115 -34.1652 -34.1652 -33.8860 -33.8860 -33.8688 -33.8688 -14.1425 -14.1425 -13.0867 -13.0867 -1.8906 -1.8906 0.1239 0.1239 1.8846 1.8846 2.2545 2.2545 3.2317 3.2317 4.0864 4.0864 13.4945 13.4945 15.5964 15.5964 16.3312 16.3312 18.4763 18.4763 k = 0.1884 0.3263-0.0000 ( 1809 PWs) bands (ev): -67.2116 -67.2116 -34.1648 -34.1648 -33.8853 -33.8853 -33.8687 -33.8687 -14.1704 -14.1704 -13.0783 -13.0783 -1.9334 -1.9334 0.1524 0.1524 1.9431 1.9431 2.2834 2.2834 3.2657 3.2657 4.1108 4.1108 13.3889 13.3889 15.5492 15.5492 16.3868 16.3868 18.5054 18.5054 k = 0.1836 0.3180-0.0000 ( 1809 PWs) bands (ev): -67.2117 -67.2117 -34.1643 -34.1643 -33.8846 -33.8846 -33.8685 -33.8685 -14.1982 -14.1982 -13.0703 -13.0703 -1.9758 -1.9758 0.1806 0.1806 2.0037 2.0037 2.3142 2.3142 3.2989 3.2989 4.1348 4.1348 13.2826 13.2826 15.4988 15.4988 16.4455 16.4455 18.5356 18.5356 k = 0.1787 0.3096-0.0000 ( 1813 PWs) bands (ev): -67.2118 -67.2118 -34.1638 -34.1638 -33.8839 -33.8839 -33.8683 -33.8683 -14.2259 -14.2259 -13.0626 -13.0626 -2.0179 -2.0179 0.2085 0.2085 2.0664 2.0664 2.3470 2.3470 3.3314 3.3314 4.1583 4.1583 13.1757 13.1757 15.4451 15.4451 16.5072 16.5072 18.5668 18.5668 k = 0.1739 0.3012-0.0000 ( 1815 PWs) bands (ev): -67.2119 -67.2119 -34.1633 -34.1633 -33.8831 -33.8831 -33.8682 -33.8682 -14.2535 -14.2535 -13.0554 -13.0554 -2.0595 -2.0595 0.2360 0.2360 2.1310 2.1310 2.3815 2.3815 3.3632 3.3632 4.1812 4.1812 13.0682 13.0682 15.3883 15.3883 16.5718 16.5718 18.5991 18.5991 k = 0.1691 0.2929-0.0000 ( 1811 PWs) bands (ev): -67.2120 -67.2120 -34.1628 -34.1628 -33.8823 -33.8823 -33.8680 -33.8680 -14.2808 -14.2808 -13.0485 -13.0485 -2.1006 -2.1006 0.2631 0.2631 2.1974 2.1974 2.4179 2.4179 3.3941 3.3941 4.2035 4.2035 12.9603 12.9603 15.3286 15.3286 16.6392 16.6392 18.6323 18.6323 k = 0.1643 0.2845-0.0000 ( 1811 PWs) bands (ev): -67.2122 -67.2122 -34.1623 -34.1623 -33.8815 -33.8815 -33.8678 -33.8678 -14.3079 -14.3079 -13.0420 -13.0420 -2.1411 -2.1411 0.2898 0.2898 2.2655 2.2655 2.4558 2.4558 3.4244 3.4244 4.2253 4.2253 12.8521 12.8521 15.2661 15.2661 16.7094 16.7094 18.6665 18.6665 k = 0.1594 0.2761-0.0000 ( 1807 PWs) bands (ev): -67.2123 -67.2123 -34.1617 -34.1617 -33.8807 -33.8807 -33.8676 -33.8676 -14.3348 -14.3348 -13.0359 -13.0359 -2.1811 -2.1811 0.3161 0.3161 2.3352 2.3352 2.4954 2.4954 3.4539 3.4539 4.2464 4.2464 12.7437 12.7437 15.2012 15.2012 16.7822 16.7822 18.7016 18.7016 k = 0.1546 0.2678-0.0000 ( 1803 PWs) bands (ev): -67.2124 -67.2124 -34.1612 -34.1612 -33.8799 -33.8799 -33.8674 -33.8674 -14.3613 -14.3613 -13.0301 -13.0301 -2.2204 -2.2204 0.3420 0.3420 2.4061 2.4061 2.5364 2.5364 3.4827 3.4827 4.2669 4.2669 12.6351 12.6351 15.1340 15.1340 16.8576 16.8576 18.7376 18.7376 k = 0.1498 0.2594-0.0000 ( 1795 PWs) bands (ev): -67.2125 -67.2125 -34.1606 -34.1606 -33.8790 -33.8790 -33.8672 -33.8672 -14.3874 -14.3874 -13.0247 -13.0247 -2.2590 -2.2590 0.3673 0.3673 2.4783 2.4783 2.5787 2.5787 3.5111 3.5111 4.2867 4.2867 12.5264 12.5264 15.0648 15.0648 16.9353 16.9353 18.7747 18.7747 k = 0.1449 0.2510-0.0000 ( 1795 PWs) bands (ev): -67.2126 -67.2126 -34.1601 -34.1601 -33.8782 -33.8782 -33.8670 -33.8670 -14.4132 -14.4132 -13.0196 -13.0196 -2.2969 -2.2969 0.3922 0.3922 2.5514 2.5514 2.6223 2.6223 3.5387 3.5387 4.3058 4.3058 12.4179 12.4179 14.9937 14.9937 17.0151 17.0151 18.8127 18.8127 k = 0.1401 0.2427-0.0000 ( 1795 PWs) bands (ev): -67.2127 -67.2127 -34.1596 -34.1596 -33.8775 -33.8775 -33.8668 -33.8668 -14.4385 -14.4385 -13.0149 -13.0149 -2.3339 -2.3339 0.4166 0.4166 2.6252 2.6252 2.6670 2.6670 3.5658 3.5658 4.3242 4.3242 12.3096 12.3096 14.9211 14.9211 17.0968 17.0968 18.8519 18.8519 k = 0.1353 0.2343-0.0000 ( 1795 PWs) bands (ev): -67.2128 -67.2128 -34.1591 -34.1591 -33.8767 -33.8767 -33.8666 -33.8666 -14.4633 -14.4633 -13.0105 -13.0105 -2.3702 -2.3702 0.4404 0.4404 2.6993 2.6993 2.7128 2.7128 3.5925 3.5925 4.3419 4.3419 12.2016 12.2016 14.8472 14.8472 17.1801 17.1801 18.8922 18.8922 k = 0.1304 0.2259-0.0000 ( 1797 PWs) bands (ev): -67.2130 -67.2130 -34.1586 -34.1586 -33.8759 -33.8759 -33.8664 -33.8664 -14.4877 -14.4877 -13.0064 -13.0064 -2.4055 -2.4055 0.4637 0.4637 2.7587 2.7587 2.7744 2.7744 3.6190 3.6190 4.3589 4.3589 12.0941 12.0941 14.7724 14.7724 17.2648 17.2648 18.9339 18.9339 k = 0.1256 0.2176-0.0000 ( 1799 PWs) bands (ev): -67.2131 -67.2131 -34.1581 -34.1581 -33.8752 -33.8752 -33.8661 -33.8661 -14.5114 -14.5114 -13.0026 -13.0026 -2.4400 -2.4400 0.4863 0.4863 2.8061 2.8061 2.8487 2.8487 3.6454 3.6454 4.3751 4.3751 11.9872 11.9872 14.6968 14.6968 17.3506 17.3506 18.9772 18.9772 k = 0.1208 0.2092-0.0000 ( 1791 PWs) bands (ev): -67.2132 -67.2132 -34.1576 -34.1576 -33.8745 -33.8745 -33.8658 -33.8658 -14.5346 -14.5346 -12.9990 -12.9990 -2.4734 -2.4734 0.5084 0.5084 2.8541 2.8541 2.9226 2.9226 3.6719 3.6719 4.3905 4.3905 11.8810 11.8810 14.6207 14.6207 17.4369 17.4369 19.0223 19.0223 k = 0.1159 0.2008-0.0000 ( 1791 PWs) bands (ev): -67.2133 -67.2133 -34.1571 -34.1571 -33.8739 -33.8739 -33.8655 -33.8655 -14.5572 -14.5572 -12.9958 -12.9958 -2.5059 -2.5059 0.5299 0.5299 2.9023 2.9023 2.9956 2.9956 3.6988 3.6988 4.4052 4.4052 11.7758 11.7758 14.5445 14.5445 17.5234 17.5234 19.0694 19.0694 k = 0.1111 0.1925-0.0000 ( 1787 PWs) bands (ev): -67.2134 -67.2134 -34.1566 -34.1566 -33.8732 -33.8732 -33.8651 -33.8651 -14.5791 -14.5791 -12.9928 -12.9928 -2.5373 -2.5373 0.5506 0.5506 2.9508 2.9508 3.0671 3.0671 3.7264 3.7264 4.4191 4.4191 11.6716 11.6716 14.4684 14.4684 17.6096 17.6096 19.1189 19.1189 k = 0.1063 0.1841-0.0000 ( 1783 PWs) bands (ev): -67.2135 -67.2135 -34.1561 -34.1561 -33.8727 -33.8727 -33.8648 -33.8648 -14.6003 -14.6003 -12.9900 -12.9900 -2.5676 -2.5676 0.5707 0.5707 2.9994 2.9994 3.1366 3.1366 3.7551 3.7551 4.4322 4.4322 11.5687 11.5687 14.3927 14.3927 17.6948 17.6948 19.1711 19.1711 k = 0.1014 0.1757-0.0000 ( 1787 PWs) bands (ev): -67.2136 -67.2136 -34.1557 -34.1557 -33.8722 -33.8722 -33.8644 -33.8644 -14.6208 -14.6208 -12.9875 -12.9875 -2.5969 -2.5969 0.5901 0.5901 3.0479 3.0479 3.2034 3.2034 3.7853 3.7853 4.4445 4.4445 11.4672 11.4672 14.3177 14.3177 17.7787 17.7787 19.2264 19.2264 k = 0.0966 0.1673-0.0000 ( 1787 PWs) bands (ev): -67.2137 -67.2137 -34.1553 -34.1553 -33.8717 -33.8717 -33.8639 -33.8639 -14.6405 -14.6405 -12.9853 -12.9853 -2.6250 -2.6250 0.6088 0.6088 3.0962 3.0962 3.2668 3.2668 3.8176 3.8176 4.4561 4.4561 11.3673 11.3673 14.2437 14.2437 17.8604 17.8604 19.2852 19.2852 k = 0.0918 0.1590-0.0000 ( 1787 PWs) bands (ev): -67.2138 -67.2138 -34.1549 -34.1549 -33.8713 -33.8713 -33.8635 -33.8635 -14.6595 -14.6595 -12.9832 -12.9832 -2.6520 -2.6520 0.6267 0.6267 3.1440 3.1440 3.3261 3.3261 3.8525 3.8525 4.4669 4.4669 11.2694 11.2694 14.1708 14.1708 17.9395 17.9395 19.3479 19.3479 k = 0.0870 0.1506-0.0000 ( 1785 PWs) bands (ev): -67.2139 -67.2139 -34.1545 -34.1545 -33.8710 -33.8710 -33.8630 -33.8630 -14.6777 -14.6777 -12.9813 -12.9813 -2.6777 -2.6777 0.6438 0.6438 3.1912 3.1912 3.3806 3.3806 3.8903 3.8903 4.4768 4.4768 11.1735 11.1735 14.0996 14.0996 18.0152 18.0152 19.4150 19.4150 k = 0.0821 0.1422-0.0000 ( 1789 PWs) bands (ev): -67.2140 -67.2140 -34.1541 -34.1541 -33.8707 -33.8707 -33.8625 -33.8625 -14.6950 -14.6950 -12.9796 -12.9796 -2.7022 -2.7022 0.6601 0.6601 3.2375 3.2375 3.4297 3.4297 3.9312 3.9312 4.4860 4.4860 11.0801 11.0801 14.0301 14.0301 18.0872 18.0872 19.4866 19.4866 k = 0.0773 0.1339-0.0000 ( 1789 PWs) bands (ev): -67.2141 -67.2141 -34.1537 -34.1537 -33.8704 -33.8704 -33.8620 -33.8620 -14.7115 -14.7115 -12.9781 -12.9781 -2.7255 -2.7255 0.6756 0.6756 3.2828 3.2828 3.4732 3.4732 3.9753 3.9753 4.4945 4.4945 10.9893 10.9893 13.9628 13.9628 18.1548 18.1548 19.5631 19.5631 k = 0.0725 0.1255-0.0000 ( 1789 PWs) bands (ev): -67.2142 -67.2142 -34.1534 -34.1534 -33.8702 -33.8702 -33.8615 -33.8615 -14.7271 -14.7271 -12.9767 -12.9767 -2.7474 -2.7474 0.6902 0.6902 3.3269 3.3269 3.5113 3.5113 4.0223 4.0223 4.5022 4.5022 10.9014 10.9014 13.8978 13.8978 18.2177 18.2177 19.6443 19.6443 k = 0.0676 0.1171-0.0000 ( 1793 PWs) bands (ev): -67.2143 -67.2143 -34.1531 -34.1531 -33.8700 -33.8700 -33.8610 -33.8610 -14.7418 -14.7418 -12.9755 -12.9755 -2.7681 -2.7681 0.7039 0.7039 3.3695 3.3695 3.5441 3.5441 4.0714 4.0714 4.5091 4.5091 10.8167 10.8167 13.8354 13.8354 18.2757 18.2757 19.7303 19.7303 k = 0.0628 0.1088-0.0000 ( 1791 PWs) bands (ev): -67.2143 -67.2143 -34.1528 -34.1528 -33.8698 -33.8698 -33.8605 -33.8605 -14.7556 -14.7556 -12.9745 -12.9745 -2.7874 -2.7874 0.7169 0.7169 3.4106 3.4106 3.5723 3.5723 4.1218 4.1218 4.5154 4.5154 10.7357 10.7357 13.7760 13.7760 18.3287 18.3287 19.8208 19.8208 k = 0.0580 0.1004-0.0000 ( 1791 PWs) bands (ev): -67.2144 -67.2144 -34.1525 -34.1525 -33.8697 -33.8697 -33.8600 -33.8600 -14.7684 -14.7684 -12.9735 -12.9735 -2.8054 -2.8054 0.7289 0.7289 3.4497 3.4497 3.5963 3.5963 4.1726 4.1726 4.5209 4.5209 10.6585 10.6585 13.7198 13.7198 18.3766 18.3766 19.9154 19.9154 k = 0.0531 0.0920-0.0000 ( 1797 PWs) bands (ev): -67.2145 -67.2145 -34.1523 -34.1523 -33.8696 -33.8696 -33.8596 -33.8596 -14.7803 -14.7803 -12.9727 -12.9727 -2.8221 -2.8221 0.7400 0.7400 3.4866 3.4866 3.6168 3.6168 4.2229 4.2229 4.5258 4.5258 10.5857 10.5857 13.6669 13.6669 18.4196 18.4196 20.0132 20.0132 k = 0.0483 0.0837-0.0000 ( 1797 PWs) bands (ev): -67.2145 -67.2145 -34.1520 -34.1520 -33.8695 -33.8695 -33.8591 -33.8591 -14.7912 -14.7912 -12.9719 -12.9719 -2.8373 -2.8373 0.7502 0.7502 3.5213 3.5213 3.6343 3.6343 4.2718 4.2718 4.5301 4.5301 10.5175 10.5175 13.6178 13.6178 18.4578 18.4578 20.1138 20.1138 k = 0.0435 0.0753-0.0000 ( 1801 PWs) bands (ev): -67.2146 -67.2146 -34.1518 -34.1518 -33.8694 -33.8694 -33.8587 -33.8587 -14.8011 -14.8011 -12.9713 -12.9713 -2.8511 -2.8511 0.7594 0.7594 3.5534 3.5534 3.6492 3.6492 4.3185 4.3185 4.5338 4.5338 10.4542 10.4542 13.5725 13.5725 18.4915 18.4915 20.2159 20.2159 k = 0.0386 0.0669-0.0000 ( 1805 PWs) bands (ev): -67.2147 -67.2147 -34.1516 -34.1516 -33.8694 -33.8694 -33.8584 -33.8584 -14.8100 -14.8100 -12.9708 -12.9708 -2.8636 -2.8636 0.7677 0.7677 3.5827 3.5827 3.6618 3.6618 4.3622 4.3622 4.5370 4.5370 10.3964 10.3964 13.5314 13.5314 18.5208 18.5208 20.3184 20.3184 k = 0.0338 0.0586-0.0000 ( 1805 PWs) bands (ev): -67.2147 -67.2147 -34.1515 -34.1515 -33.8693 -33.8693 -33.8581 -33.8581 -14.8179 -14.8179 -12.9703 -12.9703 -2.8745 -2.8745 0.7751 0.7751 3.6090 3.6090 3.6726 3.6726 4.4023 4.4023 4.5398 4.5398 10.3444 10.3444 13.4947 13.4947 18.5461 18.5461 20.4198 20.4198 k = 0.0290 0.0502-0.0000 ( 1805 PWs) bands (ev): -67.2147 -67.2147 -34.1513 -34.1513 -33.8693 -33.8693 -33.8578 -33.8578 -14.8247 -14.8247 -12.9699 -12.9699 -2.8841 -2.8841 0.7815 0.7815 3.6319 3.6319 3.6819 3.6819 4.4381 4.4381 4.5422 4.5422 10.2984 10.2984 13.4624 13.4624 18.5675 18.5675 20.5183 20.5183 k = 0.0242 0.0418-0.0000 ( 1809 PWs) bands (ev): -67.2148 -67.2148 -34.1512 -34.1512 -33.8692 -33.8692 -33.8575 -33.8575 -14.8306 -14.8306 -12.9696 -12.9696 -2.8922 -2.8922 0.7869 0.7869 3.6513 3.6513 3.6898 3.6898 4.4689 4.4689 4.5444 4.5444 10.2589 10.2589 13.4348 13.4348 18.5853 18.5853 20.6116 20.6116 k = 0.0193 0.0335-0.0000 ( 1805 PWs) bands (ev): -67.2148 -67.2148 -34.1511 -34.1511 -33.8692 -33.8692 -33.8573 -33.8573 -14.8353 -14.8353 -12.9693 -12.9693 -2.8988 -2.8988 0.7913 0.7913 3.6668 3.6668 3.6968 3.6968 4.4942 4.4942 4.5468 4.5468 10.2261 10.2261 13.4120 13.4120 18.5996 18.5996 20.6966 20.6966 k = 0.0145 0.0251-0.0000 ( 1811 PWs) bands (ev): -67.2148 -67.2148 -34.1510 -34.1510 -33.8692 -33.8692 -33.8572 -33.8572 -14.8390 -14.8390 -12.9692 -12.9692 -2.9040 -2.9040 0.7948 0.7948 3.6781 3.6781 3.7029 3.7029 4.5133 4.5133 4.5496 4.5496 10.2003 10.2003 13.3942 13.3942 18.6106 18.6106 20.7697 20.7697 k = 0.0097 0.0167-0.0000 ( 1813 PWs) bands (ev): -67.2148 -67.2148 -34.1510 -34.1510 -33.8692 -33.8692 -33.8570 -33.8570 -14.8417 -14.8417 -12.9690 -12.9690 -2.9077 -2.9077 0.7972 0.7972 3.6855 3.6855 3.7080 3.7080 4.5255 4.5255 4.5532 4.5532 10.1817 10.1817 13.3813 13.3813 18.6183 18.6183 20.8268 20.8268 k = 0.0048 0.0084-0.0000 ( 1815 PWs) bands (ev): -67.2148 -67.2148 -34.1509 -34.1509 -33.8692 -33.8692 -33.8570 -33.8570 -14.8433 -14.8433 -12.9690 -12.9690 -2.9099 -2.9099 0.7987 0.7987 3.6895 3.6895 3.7115 3.7115 4.5314 4.5314 4.5568 4.5568 10.1705 10.1705 13.3736 13.3736 18.6229 18.6229 20.8633 20.8633 k = 0.0000 0.0000 0.0000 ( 1803 PWs) bands (ev): -67.2148 -67.2148 -34.1509 -34.1509 -33.8691 -33.8691 -33.8569 -33.8569 -14.8438 -14.8438 -12.9689 -12.9689 -2.9106 -2.9106 0.7993 0.7993 3.6908 3.6908 3.7128 3.7128 4.5332 4.5332 4.5584 4.5584 10.1668 10.1668 13.3711 13.3711 18.6245 18.6245 20.8760 20.8760 k = 0.0000 0.0000 0.0000 ( 1803 PWs) bands (ev): -67.2148 -67.2148 -34.1509 -34.1509 -33.8691 -33.8691 -33.8569 -33.8569 -14.8438 -14.8438 -12.9689 -12.9689 -2.9106 -2.9106 0.7993 0.7993 3.6908 3.6908 3.7128 3.7128 4.5332 4.5332 4.5584 4.5584 10.1668 10.1668 13.3711 13.3711 18.6245 18.6245 20.8760 20.8760 k = 0.0000 0.0000 0.0095 ( 1815 PWs) bands (ev): -67.2149 -67.2149 -34.1509 -34.1509 -33.8692 -33.8692 -33.8570 -33.8570 -14.8433 -14.8433 -12.9698 -12.9698 -2.9092 -2.9092 0.7974 0.7974 3.6911 3.6911 3.7131 3.7131 4.5327 4.5327 4.5579 4.5579 10.1691 10.1691 13.3723 13.3723 18.6215 18.6215 20.8746 20.8747 k = 0.0000 0.0000 0.0189 ( 1815 PWs) bands (ev): -67.2149 -67.2149 -34.1509 -34.1509 -33.8692 -33.8692 -33.8570 -33.8570 -14.8417 -14.8417 -12.9722 -12.9722 -2.9050 -2.9050 0.7919 0.7919 3.6922 3.6922 3.7142 3.7142 4.5316 4.5316 4.5568 4.5568 10.1759 10.1759 13.3759 13.3759 18.6129 18.6129 20.8707 20.8707 k = 0.0000 0.0000 0.0284 ( 1803 PWs) bands (ev): -67.2148 -67.2148 -34.1509 -34.1509 -33.8691 -33.8691 -33.8569 -33.8569 -14.8390 -14.8390 -12.9764 -12.9764 -2.8979 -2.8979 0.7828 0.7828 3.6940 3.6940 3.7160 3.7160 4.5297 4.5297 4.5549 4.5549 10.1874 10.1874 13.3820 13.3820 18.5986 18.5986 20.8642 20.8642 k = 0.0000 0.0000 0.0378 ( 1803 PWs) bands (ev): -67.2148 -67.2148 -34.1509 -34.1509 -33.8691 -33.8691 -33.8569 -33.8569 -14.8353 -14.8353 -12.9821 -12.9821 -2.8881 -2.8881 0.7700 0.7700 3.6965 3.6965 3.7185 3.7185 4.5271 4.5271 4.5523 4.5523 10.2033 10.2033 13.3905 13.3905 18.5787 18.5787 20.8549 20.8549 k = 0.0000 0.0000 0.0473 ( 1790 PWs) bands (ev): -67.2148 -67.2148 -34.1508 -34.1508 -33.8691 -33.8691 -33.8569 -33.8569 -14.8304 -14.8304 -12.9894 -12.9894 -2.8754 -2.8754 0.7540 0.7540 3.6996 3.6996 3.7216 3.7216 4.5237 4.5237 4.5489 4.5489 10.2237 10.2237 13.4014 13.4014 18.5536 18.5536 20.8429 20.8430 k = 0.0000 0.0000 0.0567 ( 1796 PWs) bands (ev): -67.2148 -67.2148 -34.1509 -34.1509 -33.8691 -33.8691 -33.8569 -33.8569 -14.8246 -14.8246 -12.9984 -12.9984 -2.8601 -2.8601 0.7342 0.7342 3.7035 3.7035 3.7255 3.7255 4.5196 4.5196 4.5447 4.5447 10.2483 10.2483 13.4142 13.4142 18.5232 18.5232 20.8278 20.8278 k = 0.0000 0.0000 0.0662 ( 1796 PWs) bands (ev): -67.2148 -67.2148 -34.1509 -34.1509 -33.8691 -33.8691 -33.8569 -33.8569 -14.8177 -14.8177 -13.0088 -13.0088 -2.8421 -2.8421 0.7111 0.7111 3.7080 3.7080 3.7300 3.7300 4.5147 4.5147 4.5398 4.5398 10.2772 10.2772 13.4293 13.4293 18.4882 18.4882 20.8096 20.8096 k = 0.0000 0.0000 0.0756 ( 1784 PWs) bands (ev): -67.2148 -67.2148 -34.1508 -34.1508 -33.8691 -33.8691 -33.8568 -33.8568 -14.8099 -14.8099 -13.0207 -13.0207 -2.8214 -2.8214 0.6848 0.6848 3.7133 3.7133 3.7353 3.7353 4.5091 4.5091 4.5343 4.5343 10.3103 10.3103 13.4464 13.4464 18.4487 18.4487 20.7882 20.7882 k = 0.0000 0.0000 0.0851 ( 1772 PWs) bands (ev): -67.2148 -67.2148 -34.1508 -34.1508 -33.8690 -33.8690 -33.8568 -33.8568 -14.8010 -14.8010 -13.0340 -13.0340 -2.7980 -2.7980 0.6553 0.6553 3.7192 3.7192 3.7412 3.7412 4.5029 4.5029 4.5280 4.5280 10.3473 10.3473 13.4655 13.4655 18.4052 18.4052 20.7634 20.7634 k = 0.0000 0.0000 0.0945 ( 1772 PWs) bands (ev): -67.2148 -67.2148 -34.1508 -34.1508 -33.8690 -33.8690 -33.8568 -33.8568 -14.7912 -14.7912 -13.0488 -13.0488 -2.7722 -2.7722 0.6226 0.6226 3.7257 3.7257 3.7478 3.7478 4.4959 4.4959 4.5209 4.5209 10.3880 10.3880 13.4861 13.4861 18.3581 18.3581 20.7348 20.7348 k = 0.0000 0.0000 0.1040 ( 1772 PWs) bands (ev): -67.2148 -67.2148 -34.1508 -34.1508 -33.8690 -33.8690 -33.8568 -33.8568 -14.7804 -14.7804 -13.0648 -13.0648 -2.7440 -2.7440 0.5871 0.5871 3.7329 3.7329 3.7550 3.7550 4.4882 4.4882 4.5132 4.5132 10.4324 10.4324 13.5084 13.5084 18.3078 18.3078 20.7024 20.7024 k = 0.0000 0.0000 0.1134 ( 1772 PWs) bands (ev): -67.2148 -67.2148 -34.1508 -34.1508 -33.8691 -33.8691 -33.8568 -33.8568 -14.7687 -14.7687 -13.0821 -13.0821 -2.7134 -2.7134 0.5488 0.5488 3.7407 3.7407 3.7628 3.7628 4.4798 4.4798 4.5048 4.5048 10.4801 10.4801 13.5319 13.5319 18.2549 18.2549 20.6660 20.6660 k = 0.0000 0.0000 0.1229 ( 1772 PWs) bands (ev): -67.2148 -67.2148 -34.1508 -34.1508 -33.8691 -33.8691 -33.8568 -33.8568 -14.7562 -14.7562 -13.1005 -13.1005 -2.6805 -2.6805 0.5079 0.5079 3.7491 3.7491 3.7712 3.7712 4.4708 4.4708 4.4958 4.4958 10.5310 10.5310 13.5565 13.5565 18.1998 18.1998 20.6255 20.6255 k = 0.0000 0.0000 0.1323 ( 1772 PWs) bands (ev): -67.2148 -67.2148 -34.1508 -34.1508 -33.8691 -33.8691 -33.8568 -33.8568 -14.7428 -14.7428 -13.1200 -13.1200 -2.6454 -2.6454 0.4645 0.4645 3.7581 3.7581 3.7802 3.7802 4.4612 4.4612 4.4862 4.4862 10.5849 10.5849 13.5820 13.5820 18.1432 18.1432 20.5806 20.5806 k = 0.0000 0.0000 0.1418 ( 1772 PWs) bands (ev): -67.2148 -67.2148 -34.1508 -34.1508 -33.8691 -33.8691 -33.8568 -33.8568 -14.7287 -14.7287 -13.1405 -13.1405 -2.6083 -2.6083 0.4189 0.4189 3.7676 3.7676 3.7899 3.7899 4.4510 4.4510 4.4759 4.4759 10.6415 10.6415 13.6081 13.6081 18.0855 18.0855 20.5314 20.5314 k = 0.0000 0.0000 0.1512 ( 1772 PWs) bands (ev): -67.2148 -67.2148 -34.1508 -34.1508 -33.8691 -33.8691 -33.8568 -33.8568 -14.7138 -14.7138 -13.1618 -13.1618 -2.5692 -2.5692 0.3712 0.3712 3.7778 3.7778 3.8000 3.8000 4.4402 4.4402 4.4651 4.4651 10.7006 10.7006 13.6345 13.6345 18.0274 18.0274 20.4778 20.4778 k = 0.0000 0.0000 0.1607 ( 1778 PWs) bands (ev): -67.2148 -67.2148 -34.1508 -34.1508 -33.8691 -33.8691 -33.8568 -33.8568 -14.6983 -14.6983 -13.1840 -13.1840 -2.5282 -2.5282 0.3215 0.3215 3.7885 3.7885 3.8107 3.8107 4.4287 4.4287 4.4536 4.4536 10.7617 10.7617 13.6608 13.6608 17.9694 17.9694 20.4199 20.4199 k = 0.0000 0.0000 0.1702 ( 1784 PWs) bands (ev): -67.2148 -67.2148 -34.1509 -34.1509 -33.8692 -33.8692 -33.8568 -33.8568 -14.6821 -14.6821 -13.2068 -13.2068 -2.4856 -2.4856 0.2702 0.2702 3.7996 3.7996 3.8219 3.8219 4.4169 4.4169 4.4417 4.4417 10.8248 10.8248 13.6867 13.6867 17.9122 17.9122 20.3578 20.3578 k = 0.0000 0.0000 0.1796 ( 1790 PWs) bands (ev): -67.2148 -67.2148 -34.1509 -34.1509 -33.8692 -33.8692 -33.8569 -33.8569 -14.6654 -14.6654 -13.2302 -13.2302 -2.4414 -2.4414 0.2173 0.2173 3.8113 3.8113 3.8337 3.8337 4.4045 4.4045 4.4292 4.4292 10.8893 10.8893 13.7120 13.7120 17.8563 17.8563 20.2919 20.2919 k = 0.0000 0.0000 0.1891 ( 1784 PWs) bands (ev): -67.2148 -67.2148 -34.1509 -34.1509 -33.8692 -33.8692 -33.8568 -33.8568 -14.6482 -14.6482 -13.2539 -13.2539 -2.3958 -2.3958 0.1632 0.1632 3.8235 3.8235 3.8459 3.8459 4.3917 4.3917 4.4164 4.4164 10.9551 10.9551 13.7362 13.7362 17.8024 17.8024 20.2224 20.2224 k = 0.0000 0.0000 0.1985 ( 1778 PWs) bands (ev): -67.2148 -67.2148 -34.1509 -34.1509 -33.8692 -33.8692 -33.8568 -33.8568 -14.6306 -14.6306 -13.2780 -13.2780 -2.3489 -2.3489 0.1081 0.1081 3.8361 3.8361 3.8585 3.8585 4.3784 4.3784 4.4031 4.4031 11.0216 11.0216 13.7591 13.7591 17.7510 17.7510 20.1500 20.1500 k = 0.0000 0.0000 0.2080 ( 1778 PWs) bands (ev): -67.2148 -67.2148 -34.1509 -34.1509 -33.8692 -33.8692 -33.8568 -33.8568 -14.6127 -14.6127 -13.3022 -13.3022 -2.3010 -2.3010 0.0521 0.0521 3.8491 3.8491 3.8716 3.8716 4.3648 4.3648 4.3894 4.3894 11.0885 11.0885 13.7803 13.7803 17.7026 17.7026 20.0750 20.0750 k = 0.0000 0.0000 0.2174 ( 1778 PWs) bands (ev): -67.2148 -67.2148 -34.1509 -34.1509 -33.8692 -33.8692 -33.8568 -33.8568 -14.5947 -14.5947 -13.3264 -13.3264 -2.2523 -2.2523 -0.0044 -0.0044 3.8625 3.8625 3.8850 3.8850 4.3508 4.3508 4.3753 4.3753 11.1554 11.1554 13.7994 13.7994 17.6578 17.6578 19.9980 19.9980 k = 0.0000 0.0000 0.2269 ( 1778 PWs) bands (ev): -67.2148 -67.2148 -34.1509 -34.1509 -33.8692 -33.8692 -33.8568 -33.8568 -14.5767 -14.5767 -13.3504 -13.3504 -2.2031 -2.2031 -0.0611 -0.0611 3.8762 3.8762 3.8987 3.8987 4.3365 4.3365 4.3610 4.3610 11.2217 11.2217 13.8163 13.8163 17.6169 17.6169 19.9198 19.9198 k = 0.0000 0.0000 0.2363 ( 1778 PWs) bands (ev): -67.2148 -67.2148 -34.1509 -34.1509 -33.8693 -33.8693 -33.8568 -33.8568 -14.5587 -14.5587 -13.3740 -13.3740 -2.1535 -2.1535 -0.1177 -0.1177 3.8901 3.8901 3.9127 3.9127 4.3219 4.3219 4.3464 4.3464 11.2870 11.2870 13.8307 13.8307 17.5803 17.5803 19.8412 19.8412 k = 0.0000 0.0000 0.2458 ( 1790 PWs) bands (ev): -67.2148 -67.2148 -34.1509 -34.1509 -33.8693 -33.8693 -33.8569 -33.8569 -14.5410 -14.5410 -13.3971 -13.3971 -2.1041 -2.1041 -0.1738 -0.1738 3.9043 3.9043 3.9269 3.9269 4.3071 4.3071 4.3315 4.3315 11.3507 11.3507 13.8425 13.8425 17.5481 17.5481 19.7631 19.7631 k = 0.0000 0.0000 0.2552 ( 1796 PWs) bands (ev): -67.2148 -67.2148 -34.1510 -34.1510 -33.8694 -33.8694 -33.8569 -33.8569 -14.5238 -14.5238 -13.4194 -13.4194 -2.0552 -2.0552 -0.2291 -0.2291 3.9186 3.9186 3.9412 3.9412 4.2923 4.2923 4.3166 4.3166 11.4122 11.4122 13.8518 13.8518 17.5207 17.5207 19.6864 19.6864 k = 0.0000 0.0000 0.2647 ( 1808 PWs) bands (ev): -67.2149 -67.2149 -34.1510 -34.1510 -33.8694 -33.8694 -33.8569 -33.8569 -14.5072 -14.5072 -13.4407 -13.4407 -2.0071 -2.0071 -0.2829 -0.2829 3.9329 3.9329 3.9556 3.9556 4.2773 4.2773 4.3016 4.3016 11.4709 11.4709 13.8584 13.8584 17.4979 17.4979 19.6122 19.6122 k = 0.0000 0.0000 0.2741 ( 1808 PWs) bands (ev): -67.2149 -67.2149 -34.1510 -34.1510 -33.8694 -33.8694 -33.8569 -33.8569 -14.4913 -14.4913 -13.4608 -13.4608 -1.9606 -1.9606 -0.3347 -0.3347 3.9473 3.9473 3.9700 3.9700 4.2625 4.2625 4.2868 4.2868 11.5261 11.5261 13.8627 13.8627 17.4796 17.4796 19.5414 19.5414 k = 0.0000 0.0000 0.2836 ( 1808 PWs) bands (ev): -67.2149 -67.2149 -34.1510 -34.1510 -33.8694 -33.8694 -33.8569 -33.8569 -14.4766 -14.4766 -13.4794 -13.4794 -1.9161 -1.9161 -0.3838 -0.3838 3.9615 3.9615 3.9842 3.9842 4.2479 4.2479 4.2722 4.2722 11.5772 11.5772 13.8650 13.8650 17.4655 17.4655 19.4753 19.4753 k = 0.0000 0.0000 0.2930 ( 1814 PWs) bands (ev): -67.2149 -67.2149 -34.1511 -34.1511 -33.8695 -33.8695 -33.8569 -33.8569 -14.4631 -14.4631 -13.4962 -13.4962 -1.8745 -1.8745 -0.4295 -0.4295 3.9753 3.9753 3.9981 3.9981 4.2337 4.2337 4.2579 4.2579 11.6234 11.6234 13.8656 13.8656 17.4550 17.4550 19.4148 19.4148 k = 0.0000 0.0000 0.3025 ( 1814 PWs) bands (ev): -67.2149 -67.2149 -34.1511 -34.1511 -33.8695 -33.8695 -33.8569 -33.8569 -14.4512 -14.4512 -13.5111 -13.5111 -1.8367 -1.8367 -0.4707 -0.4707 3.9885 3.9885 4.0113 4.0113 4.2201 4.2201 4.2443 4.2443 11.6641 11.6641 13.8649 13.8649 17.4478 17.4478 19.3611 19.3611 k = 0.0000 0.0000 0.3119 ( 1814 PWs) bands (ev): -67.2149 -67.2149 -34.1511 -34.1511 -33.8695 -33.8695 -33.8569 -33.8569 -14.4410 -14.4410 -13.5236 -13.5236 -1.8037 -1.8037 -0.5067 -0.5067 4.0008 4.0008 4.0236 4.0236 4.2076 4.2076 4.2318 4.2318 11.6985 11.6985 13.8634 13.8634 17.4432 17.4432 19.3154 19.3154 k = 0.0000 0.0000 0.3214 ( 1814 PWs) bands (ev): -67.2149 -67.2149 -34.1511 -34.1511 -33.8695 -33.8695 -33.8569 -33.8569 -14.4328 -14.4328 -13.5337 -13.5337 -1.7764 -1.7764 -0.5362 -0.5362 4.0116 4.0116 4.0344 4.0344 4.1966 4.1966 4.2208 4.2208 11.7260 11.7260 13.8616 13.8616 17.4405 17.4405 19.2786 19.2786 k = 0.0000 0.0000 0.3309 ( 1814 PWs) bands (ev): -67.2149 -67.2149 -34.1511 -34.1511 -33.8695 -33.8695 -33.8569 -33.8569 -14.4268 -14.4268 -13.5410 -13.5410 -1.7560 -1.7560 -0.5582 -0.5582 4.0202 4.0202 4.0430 4.0430 4.1879 4.1879 4.2120 4.2120 11.7460 11.7460 13.8600 13.8600 17.4390 17.4390 19.2517 19.2517 k = 0.0000 0.0000 0.3403 ( 1814 PWs) bands (ev): -67.2149 -67.2149 -34.1511 -34.1511 -33.8695 -33.8695 -33.8569 -33.8569 -14.4232 -14.4232 -13.5455 -13.5455 -1.7433 -1.7433 -0.5718 -0.5718 4.0259 4.0259 4.0487 4.0487 4.1821 4.1821 4.2063 4.2063 11.7582 11.7582 13.8588 13.8588 17.4384 17.4384 19.2352 19.2352 k = 0.0000 0.0000 0.3498 ( 1820 PWs) bands (ev): -67.2149 -67.2149 -34.1511 -34.1511 -33.8695 -33.8695 -33.8569 -33.8569 -14.4220 -14.4220 -13.5470 -13.5470 -1.7391 -1.7391 -0.5765 -0.5765 4.0279 4.0279 4.0507 4.0507 4.1801 4.1801 4.2043 4.2043 11.7622 11.7622 13.8584 13.8584 17.4382 17.4382 19.2295 19.2295 k = 0.0000 0.0000 0.3498 ( 1820 PWs) bands (ev): -67.2149 -67.2149 -34.1511 -34.1511 -33.8695 -33.8695 -33.8569 -33.8569 -14.4220 -14.4220 -13.5470 -13.5470 -1.7391 -1.7391 -0.5765 -0.5765 4.0279 4.0279 4.0507 4.0507 4.1801 4.1801 4.2043 4.2043 11.7622 11.7622 13.8584 13.8584 17.4382 17.4382 19.2295 19.2295 k = 0.0083 0.0048 0.3498 ( 1810 PWs) bands (ev): -67.2149 -67.2149 -34.1511 -34.1511 -33.8695 -33.8695 -33.8569 -33.8569 -14.4216 -14.4216 -13.5468 -13.5468 -1.7391 -1.7391 -0.5767 -0.5767 4.0268 4.0268 4.0496 4.0496 4.1792 4.1792 4.2034 4.2034 11.7648 11.7648 13.8607 13.8607 17.4378 17.4378 19.2284 19.2284 k = 0.0167 0.0096 0.3498 ( 1806 PWs) bands (ev): -67.2148 -67.2148 -34.1511 -34.1511 -33.8695 -33.8695 -33.8570 -33.8570 -14.4204 -14.4204 -13.5461 -13.5461 -1.7391 -1.7391 -0.5772 -0.5772 4.0231 4.0231 4.0467 4.0467 4.1763 4.1763 4.2007 4.2007 11.7724 11.7724 13.8675 13.8675 17.4364 17.4364 19.2249 19.2249 k = 0.0250 0.0144 0.3498 ( 1806 PWs) bands (ev): -67.2148 -67.2148 -34.1511 -34.1511 -33.8695 -33.8695 -33.8571 -33.8571 -14.4184 -14.4184 -13.5450 -13.5450 -1.7393 -1.7393 -0.5782 -0.5782 4.0162 4.0162 4.0426 4.0426 4.1710 4.1710 4.1968 4.1968 11.7849 11.7849 13.8788 13.8788 17.4340 17.4340 19.2189 19.2189 k = 0.0333 0.0192 0.3498 ( 1804 PWs) bands (ev): -67.2148 -67.2148 -34.1512 -34.1512 -33.8695 -33.8695 -33.8572 -33.8572 -14.4157 -14.4157 -13.5434 -13.5434 -1.7394 -1.7394 -0.5796 -0.5796 4.0053 4.0053 4.0383 4.0383 4.1630 4.1630 4.1919 4.1919 11.8023 11.8023 13.8945 13.8945 17.4308 17.4308 19.2105 19.2106 k = 0.0417 0.0241 0.3498 ( 1804 PWs) bands (ev): -67.2148 -67.2148 -34.1513 -34.1513 -33.8696 -33.8696 -33.8574 -33.8574 -14.4121 -14.4121 -13.5413 -13.5413 -1.7397 -1.7397 -0.5813 -0.5813 3.9903 3.9903 4.0339 4.0339 4.1518 4.1518 4.1865 4.1865 11.8246 11.8246 13.9146 13.9146 17.4267 17.4267 19.1997 19.1997 k = 0.0500 0.0289 0.3498 ( 1804 PWs) bands (ev): -67.2147 -67.2147 -34.1515 -34.1515 -33.8696 -33.8696 -33.8577 -33.8577 -14.4079 -14.4079 -13.5388 -13.5388 -1.7400 -1.7400 -0.5835 -0.5835 3.9714 3.9714 4.0294 4.0294 4.1375 4.1375 4.1808 4.1808 11.8515 11.8515 13.9390 13.9390 17.4217 17.4217 19.1864 19.1864 k = 0.0583 0.0337 0.3498 ( 1800 PWs) bands (ev): -67.2147 -67.2147 -34.1516 -34.1516 -33.8697 -33.8697 -33.8580 -33.8580 -14.4028 -14.4028 -13.5359 -13.5359 -1.7403 -1.7403 -0.5861 -0.5861 3.9490 3.9490 4.0245 4.0245 4.1202 4.1202 4.1746 4.1746 11.8829 11.8829 13.9674 13.9674 17.4158 17.4158 19.1706 19.1706 k = 0.0667 0.0385 0.3498 ( 1798 PWs) bands (ev): -67.2147 -67.2147 -34.1518 -34.1518 -33.8697 -33.8697 -33.8583 -33.8583 -14.3970 -14.3970 -13.5326 -13.5326 -1.7407 -1.7407 -0.5891 -0.5891 3.9232 3.9232 4.0191 4.0191 4.1001 4.1001 4.1680 4.1680 11.9187 11.9187 13.9999 13.9999 17.4091 17.4091 19.1521 19.1521 k = 0.0750 0.0433 0.3498 ( 1798 PWs) bands (ev): -67.2146 -67.2146 -34.1520 -34.1520 -33.8698 -33.8698 -33.8587 -33.8587 -14.3904 -14.3904 -13.5288 -13.5288 -1.7411 -1.7411 -0.5926 -0.5926 3.8944 3.8944 4.0132 4.0132 4.0773 4.0773 4.1607 4.1607 11.9587 11.9587 14.0363 14.0363 17.4016 17.4016 19.1310 19.1310 k = 0.0833 0.0481 0.3498 ( 1798 PWs) bands (ev): -67.2145 -67.2145 -34.1522 -34.1522 -33.8699 -33.8699 -33.8591 -33.8591 -14.3831 -14.3831 -13.5247 -13.5247 -1.7415 -1.7415 -0.5964 -0.5964 3.8628 3.8628 4.0067 4.0067 4.0521 4.0521 4.1528 4.1528 12.0026 12.0026 14.0762 14.0762 17.3934 17.3934 19.1072 19.1072 k = 0.0917 0.0529 0.3498 ( 1796 PWs) bands (ev): -67.2145 -67.2145 -34.1524 -34.1524 -33.8700 -33.8700 -33.8595 -33.8595 -14.3751 -14.3751 -13.5202 -13.5202 -1.7420 -1.7420 -0.6008 -0.6008 3.8286 3.8286 3.9996 3.9996 4.0246 4.0246 4.1443 4.1443 12.0503 12.0503 14.1196 14.1196 17.3844 17.3844 19.0806 19.0806 k = 0.1000 0.0577 0.3498 ( 1798 PWs) bands (ev): -67.2144 -67.2144 -34.1527 -34.1527 -33.8701 -33.8701 -33.8599 -33.8599 -14.3664 -14.3664 -13.5153 -13.5153 -1.7425 -1.7425 -0.6056 -0.6056 3.7920 3.7920 3.9902 3.9902 3.9967 3.9967 4.1353 4.1353 12.1014 12.1014 14.1662 14.1662 17.3748 17.3748 19.0510 19.0510 k = 0.1083 0.0625 0.3498 ( 1796 PWs) bands (ev): -67.2144 -67.2144 -34.1529 -34.1529 -33.8702 -33.8702 -33.8604 -33.8604 -14.3570 -14.3570 -13.5101 -13.5101 -1.7430 -1.7430 -0.6109 -0.6109 3.7532 3.7532 3.9620 3.9620 3.9849 3.9849 4.1256 4.1256 12.1558 12.1558 14.2158 14.2158 17.3645 17.3645 19.0184 19.0184 k = 0.1167 0.0674 0.3498 ( 1796 PWs) bands (ev): -67.2143 -67.2143 -34.1533 -34.1533 -33.8704 -33.8704 -33.8609 -33.8609 -14.3468 -14.3468 -13.5045 -13.5045 -1.7435 -1.7435 -0.6167 -0.6167 3.7125 3.7125 3.9284 3.9284 3.9762 3.9762 4.1154 4.1154 12.2131 12.2131 14.2680 14.2680 17.3537 17.3537 18.9828 18.9828 k = 0.1250 0.0722 0.3498 ( 1796 PWs) bands (ev): -67.2142 -67.2142 -34.1536 -34.1536 -33.8706 -33.8706 -33.8614 -33.8614 -14.3360 -14.3360 -13.4987 -13.4987 -1.7440 -1.7440 -0.6230 -0.6230 3.6701 3.6701 3.8929 3.8929 3.9671 3.9671 4.1047 4.1047 12.2732 12.2732 14.3228 14.3228 17.3425 17.3425 18.9440 18.9440 k = 0.1333 0.0770 0.3498 ( 1796 PWs) bands (ev): -67.2141 -67.2141 -34.1539 -34.1539 -33.8708 -33.8708 -33.8619 -33.8619 -14.3246 -14.3246 -13.4926 -13.4926 -1.7446 -1.7446 -0.6299 -0.6299 3.6261 3.6261 3.8557 3.8557 3.9576 3.9576 4.0935 4.0935 12.3358 12.3358 14.3796 14.3796 17.3309 17.3309 18.9020 18.9020 k = 0.1417 0.0818 0.3498 ( 1796 PWs) bands (ev): -67.2140 -67.2140 -34.1543 -34.1543 -33.8711 -33.8711 -33.8624 -33.8624 -14.3125 -14.3125 -13.4863 -13.4863 -1.7451 -1.7451 -0.6373 -0.6373 3.5808 3.5808 3.8170 3.8170 3.9476 3.9476 4.0818 4.0818 12.4006 12.4006 14.4383 14.4383 17.3189 17.3189 18.8568 18.8568 k = 0.1500 0.0866 0.3498 ( 1792 PWs) bands (ev): -67.2139 -67.2139 -34.1546 -34.1546 -33.8714 -33.8714 -33.8629 -33.8629 -14.2999 -14.2999 -13.4797 -13.4797 -1.7455 -1.7455 -0.6452 -0.6452 3.5345 3.5345 3.7771 3.7771 3.9372 3.9372 4.0696 4.0696 12.4672 12.4672 14.4986 14.4986 17.3067 17.3067 18.8085 18.8085 k = 0.1583 0.0914 0.3498 ( 1792 PWs) bands (ev): -67.2138 -67.2138 -34.1550 -34.1550 -33.8717 -33.8717 -33.8633 -33.8633 -14.2866 -14.2866 -13.4729 -13.4729 -1.7460 -1.7460 -0.6537 -0.6537 3.4872 3.4872 3.7359 3.7359 3.9265 3.9265 4.0571 4.0571 12.5356 12.5356 14.5599 14.5599 17.2945 17.2945 18.7572 18.7572 k = 0.1667 0.0962 0.3498 ( 1796 PWs) bands (ev): -67.2137 -67.2137 -34.1555 -34.1555 -33.8722 -33.8722 -33.8638 -33.8638 -14.2728 -14.2728 -13.4660 -13.4660 -1.7463 -1.7463 -0.6628 -0.6628 3.4393 3.4393 3.6936 3.6936 3.9153 3.9153 4.0443 4.0443 12.6053 12.6053 14.6221 14.6221 17.2822 17.2822 18.7032 18.7032 k = 0.1750 0.1010 0.3498 ( 1788 PWs) bands (ev): -67.2136 -67.2136 -34.1559 -34.1559 -33.8726 -33.8726 -33.8642 -33.8642 -14.2584 -14.2584 -13.4589 -13.4589 -1.7466 -1.7466 -0.6726 -0.6726 3.3909 3.3909 3.6506 3.6506 3.9038 3.9038 4.0312 4.0312 12.6762 12.6762 14.6847 14.6847 17.2700 17.2700 18.6467 18.6467 k = 0.1833 0.1058 0.3498 ( 1788 PWs) bands (ev): -67.2135 -67.2135 -34.1563 -34.1563 -33.8731 -33.8731 -33.8645 -33.8645 -14.2435 -14.2435 -13.4517 -13.4517 -1.7469 -1.7469 -0.6829 -0.6829 3.3421 3.3421 3.6067 3.6067 3.8920 3.8920 4.0178 4.0178 12.7478 12.7478 14.7473 14.7473 17.2582 17.2582 18.5882 18.5882 k = 0.1917 0.1107 0.3498 ( 1792 PWs) bands (ev): -67.2134 -67.2134 -34.1568 -34.1568 -33.8737 -33.8737 -33.8649 -33.8649 -14.2281 -14.2281 -13.4445 -13.4445 -1.7470 -1.7470 -0.6939 -0.6939 3.2933 3.2933 3.5622 3.5622 3.8798 3.8798 4.0042 4.0042 12.8201 12.8201 14.8094 14.8094 17.2467 17.2467 18.5282 18.5282 k = 0.2000 0.1155 0.3498 ( 1804 PWs) bands (ev): -67.2133 -67.2133 -34.1573 -34.1573 -33.8744 -33.8744 -33.8652 -33.8652 -14.2123 -14.2123 -13.4372 -13.4372 -1.7471 -1.7471 -0.7055 -0.7055 3.2444 3.2444 3.5172 3.5172 3.8674 3.8674 3.9904 3.9904 12.8928 12.8928 14.8707 14.8707 17.2358 17.2358 18.4671 18.4671 k = 0.2083 0.1203 0.3498 ( 1796 PWs) bands (ev): -67.2132 -67.2132 -34.1577 -34.1577 -33.8751 -33.8751 -33.8654 -33.8654 -14.1960 -14.1960 -13.4298 -13.4298 -1.7469 -1.7469 -0.7178 -0.7178 3.1958 3.1958 3.4719 3.4719 3.8548 3.8548 3.9766 3.9766 12.9656 12.9656 14.9307 14.9307 17.2258 17.2258 18.4058 18.4058 k = 0.2167 0.1251 0.3498 ( 1792 PWs) bands (ev): -67.2131 -67.2131 -34.1582 -34.1582 -33.8758 -33.8758 -33.8656 -33.8656 -14.1793 -14.1793 -13.4225 -13.4225 -1.7467 -1.7467 -0.7308 -0.7308 3.1476 3.1476 3.4265 3.4265 3.8420 3.8420 3.9627 3.9627 13.0382 13.0382 14.9888 14.9888 17.2167 17.2167 18.3446 18.3446 k = 0.2250 0.1299 0.3498 ( 1800 PWs) bands (ev): -67.2130 -67.2130 -34.1587 -34.1587 -33.8766 -33.8766 -33.8658 -33.8658 -14.1623 -14.1623 -13.4153 -13.4153 -1.7462 -1.7462 -0.7444 -0.7444 3.0999 3.0999 3.3809 3.3809 3.8290 3.8290 3.9488 3.9488 13.1105 13.1105 15.0447 15.0447 17.2087 17.2087 18.2843 18.2843 k = 0.2333 0.1347 0.3498 ( 1800 PWs) bands (ev): -67.2129 -67.2129 -34.1592 -34.1592 -33.8774 -33.8774 -33.8660 -33.8660 -14.1449 -14.1449 -13.4081 -13.4081 -1.7455 -1.7455 -0.7587 -0.7587 3.0528 3.0528 3.3353 3.3353 3.8159 3.8159 3.9349 3.9349 13.1823 13.1823 15.0978 15.0978 17.2022 17.2022 18.2253 18.2253 k = 0.2417 0.1395 0.3498 ( 1804 PWs) bands (ev): -67.2128 -67.2128 -34.1597 -34.1597 -33.8782 -33.8782 -33.8661 -33.8661 -14.1272 -14.1272 -13.4010 -13.4010 -1.7447 -1.7447 -0.7737 -0.7737 3.0066 3.0066 3.2900 3.2900 3.8026 3.8026 3.9210 3.9210 13.2533 13.2533 15.1476 15.1476 17.1973 17.1973 18.1683 18.1683 k = 0.2500 0.1443 0.3498 ( 1804 PWs) bands (ev): -67.2126 -67.2126 -34.1603 -34.1603 -33.8791 -33.8791 -33.8663 -33.8663 -14.1092 -14.1092 -13.3940 -13.3940 -1.7436 -1.7436 -0.7894 -0.7894 2.9614 2.9614 3.2448 3.2448 3.7893 3.7893 3.9072 3.9072 13.3234 13.3234 15.1936 15.1936 17.1942 17.1942 18.1137 18.1137 k = 0.2583 0.1491 0.3498 ( 1808 PWs) bands (ev): -67.2125 -67.2125 -34.1608 -34.1608 -33.8799 -33.8799 -33.8664 -33.8664 -14.0910 -14.0910 -13.3872 -13.3872 -1.7422 -1.7422 -0.8057 -0.8057 2.9172 2.9172 3.2000 3.2000 3.7760 3.7760 3.8935 3.8935 13.3923 13.3923 15.2355 15.2355 17.1931 17.1931 18.0619 18.0619 k = 0.2667 0.1540 0.3498 ( 1806 PWs) bands (ev): -67.2124 -67.2124 -34.1613 -34.1613 -33.8808 -33.8808 -33.8664 -33.8664 -14.0726 -14.0726 -13.3806 -13.3806 -1.7405 -1.7405 -0.8227 -0.8227 2.8741 2.8741 3.1557 3.1557 3.7627 3.7627 3.8800 3.8800 13.4600 13.4600 15.2728 15.2728 17.1942 17.1942 18.0133 18.0133 k = 0.2750 0.1588 0.3498 ( 1806 PWs) bands (ev): -67.2123 -67.2123 -34.1618 -34.1618 -33.8816 -33.8816 -33.8665 -33.8665 -14.0541 -14.0541 -13.3743 -13.3743 -1.7384 -1.7384 -0.8403 -0.8403 2.8324 2.8324 3.1120 3.1120 3.7495 3.7495 3.8667 3.8667 13.5262 13.5262 15.3052 15.3052 17.1976 17.1976 17.9682 17.9682 k = 0.2833 0.1636 0.3498 ( 1806 PWs) bands (ev): -67.2122 -67.2122 -34.1623 -34.1623 -33.8825 -33.8825 -33.8666 -33.8666 -14.0354 -14.0354 -13.3682 -13.3682 -1.7361 -1.7361 -0.8586 -0.8586 2.7920 2.7920 3.0688 3.0688 3.7363 3.7363 3.8537 3.8537 13.5909 13.5909 15.3324 15.3324 17.2034 17.2034 17.9266 17.9266 k = 0.2917 0.1684 0.3498 ( 1808 PWs) bands (ev): -67.2121 -67.2121 -34.1629 -34.1629 -33.8834 -33.8834 -33.8666 -33.8666 -14.0167 -14.0167 -13.3623 -13.3623 -1.7333 -1.7333 -0.8775 -0.8775 2.7530 2.7530 3.0264 3.0264 3.7233 3.7233 3.8409 3.8409 13.6540 13.6540 15.3544 15.3544 17.2114 17.2114 17.8889 17.8889 k = 0.3000 0.1732 0.3498 ( 1804 PWs) bands (ev): -67.2120 -67.2120 -34.1634 -34.1634 -33.8842 -33.8842 -33.8667 -33.8667 -13.9980 -13.9980 -13.3568 -13.3568 -1.7301 -1.7301 -0.8969 -0.8969 2.7156 2.7156 2.9848 2.9848 3.7104 3.7104 3.8283 3.8283 13.7153 13.7153 15.3710 15.3710 17.2217 17.2217 17.8551 17.8551 k = 0.3083 0.1780 0.3498 ( 1808 PWs) bands (ev): -67.2118 -67.2118 -34.1639 -34.1639 -33.8850 -33.8850 -33.8667 -33.8667 -13.9793 -13.9793 -13.3516 -13.3516 -1.7266 -1.7266 -0.9169 -0.9169 2.6797 2.6797 2.9441 2.9441 3.6977 3.6977 3.8161 3.8161 13.7748 13.7748 15.3823 15.3823 17.2341 17.2341 17.8252 17.8252 k = 0.3167 0.1828 0.3498 ( 1804 PWs) bands (ev): -67.2117 -67.2117 -34.1644 -34.1644 -33.8859 -33.8859 -33.8667 -33.8667 -13.9607 -13.9607 -13.3467 -13.3467 -1.7225 -1.7225 -0.9374 -0.9374 2.6456 2.6456 2.9044 2.9044 3.6852 3.6852 3.8043 3.8043 13.8325 13.8325 15.3885 15.3885 17.2482 17.2482 17.7993 17.7993 k = 0.3250 0.1876 0.3498 ( 1804 PWs) bands (ev): -67.2116 -67.2116 -34.1649 -34.1649 -33.8867 -33.8867 -33.8668 -33.8668 -13.9422 -13.9422 -13.3423 -13.3423 -1.7179 -1.7179 -0.9585 -0.9585 2.6131 2.6131 2.8656 2.8656 3.6730 3.6730 3.7928 3.7928 13.8882 13.8882 15.3898 15.3898 17.2637 17.2637 17.7772 17.7772 k = 0.3333 0.1925 0.3498 ( 1804 PWs) bands (ev): -67.2115 -67.2115 -34.1653 -34.1653 -33.8874 -33.8874 -33.8668 -33.8668 -13.9238 -13.9238 -13.3381 -13.3381 -1.7129 -1.7129 -0.9799 -0.9799 2.5824 2.5824 2.8279 2.8279 3.6612 3.6612 3.7817 3.7817 13.9419 13.9419 15.3867 15.3867 17.2803 17.2803 17.7588 17.7588 k = 0.3417 0.1973 0.3498 ( 1800 PWs) bands (ev): -67.2114 -67.2114 -34.1658 -34.1658 -33.8882 -33.8882 -33.8668 -33.8668 -13.9057 -13.9057 -13.3344 -13.3344 -1.7073 -1.7073 -1.0017 -1.0017 2.5535 2.5535 2.7914 2.7914 3.6496 3.6496 3.7710 3.7710 13.9938 13.9938 15.3794 15.3794 17.2975 17.2975 17.7441 17.7441 k = 0.3500 0.2021 0.3498 ( 1806 PWs) bands (ev): -67.2113 -67.2113 -34.1663 -34.1663 -33.8889 -33.8889 -33.8668 -33.8668 -13.8879 -13.8879 -13.3311 -13.3311 -1.7012 -1.7012 -1.0239 -1.0239 2.5263 2.5263 2.7561 2.7561 3.6385 3.6385 3.7607 3.7607 14.0437 14.0437 15.3684 15.3684 17.3149 17.3149 17.7327 17.7327 k = 0.3583 0.2069 0.3498 ( 1814 PWs) bands (ev): -67.2113 -67.2113 -34.1668 -34.1668 -33.8897 -33.8897 -33.8669 -33.8669 -13.8705 -13.8705 -13.3282 -13.3282 -1.6946 -1.6946 -1.0464 -1.0464 2.5009 2.5009 2.7218 2.7218 3.6277 3.6277 3.7508 3.7508 14.0916 14.0916 15.3541 15.3541 17.3322 17.3322 17.7244 17.7244 k = 0.3667 0.2117 0.3498 ( 1810 PWs) bands (ev): -67.2112 -67.2112 -34.1672 -34.1672 -33.8903 -33.8903 -33.8668 -33.8668 -13.8534 -13.8534 -13.3256 -13.3256 -1.6873 -1.6873 -1.0690 -1.0690 2.4775 2.4775 2.6891 2.6891 3.6174 3.6174 3.7415 3.7415 14.1377 14.1377 15.3371 15.3371 17.3491 17.3491 17.7190 17.7190 k = 0.3750 0.2165 0.3498 ( 1810 PWs) bands (ev): -67.2111 -67.2111 -34.1676 -34.1676 -33.8910 -33.8910 -33.8669 -33.8669 -13.8369 -13.8369 -13.3235 -13.3235 -1.6794 -1.6794 -1.0918 -1.0918 2.4560 2.4560 2.6576 2.6576 3.6076 3.6076 3.7326 3.7326 14.1819 14.1819 15.3178 15.3178 17.3653 17.3653 17.7160 17.7160 k = 0.3833 0.2213 0.3498 ( 1810 PWs) bands (ev): -67.2110 -67.2110 -34.1680 -34.1680 -33.8916 -33.8916 -33.8669 -33.8669 -13.8208 -13.8208 -13.3218 -13.3218 -1.6710 -1.6710 -1.1146 -1.1146 2.4363 2.4363 2.6274 2.6274 3.5982 3.5982 3.7243 3.7243 14.2242 14.2242 15.2965 15.2965 17.3806 17.3806 17.7151 17.7151 k = 0.3917 0.2261 0.3498 ( 1810 PWs) bands (ev): -67.2109 -67.2109 -34.1683 -34.1683 -33.8922 -33.8922 -33.8669 -33.8669 -13.8054 -13.8054 -13.3204 -13.3204 -1.6620 -1.6620 -1.1375 -1.1375 2.4186 2.4186 2.5987 2.5987 3.5894 3.5894 3.7165 3.7165 14.2647 14.2647 15.2737 15.2737 17.3949 17.3949 17.7157 17.7157 k = 0.4000 0.2309 0.3498 ( 1810 PWs) bands (ev): -67.2109 -67.2109 -34.1687 -34.1687 -33.8927 -33.8927 -33.8669 -33.8669 -13.7907 -13.7907 -13.3193 -13.3193 -1.6524 -1.6524 -1.1602 -1.1602 2.4027 2.4027 2.5715 2.5715 3.5812 3.5812 3.7091 3.7091 14.3034 14.3034 15.2498 15.2498 17.4083 17.4083 17.7175 17.7175 k = 0.4083 0.2358 0.3498 ( 1810 PWs) bands (ev): -67.2108 -67.2108 -34.1690 -34.1690 -33.8932 -33.8932 -33.8669 -33.8669 -13.7767 -13.7767 -13.3186 -13.3186 -1.6423 -1.6423 -1.1827 -1.1827 2.3887 2.3887 2.5457 2.5457 3.5735 3.5735 3.7024 3.7024 14.3404 14.3404 15.2251 15.2251 17.4207 17.4207 17.7199 17.7199 k = 0.4167 0.2406 0.3498 ( 1814 PWs) bands (ev): -67.2107 -67.2107 -34.1693 -34.1693 -33.8937 -33.8937 -33.8669 -33.8669 -13.7635 -13.7635 -13.3182 -13.3182 -1.6316 -1.6316 -1.2050 -1.2050 2.3765 2.3765 2.5214 2.5214 3.5664 3.5664 3.6961 3.6961 14.3755 14.3755 15.2001 15.2001 17.4322 17.4322 17.7226 17.7226 k = 0.4250 0.2454 0.3498 ( 1814 PWs) bands (ev): -67.2107 -67.2107 -34.1696 -34.1696 -33.8941 -33.8941 -33.8669 -33.8669 -13.7513 -13.7513 -13.3180 -13.3180 -1.6205 -1.6205 -1.2267 -1.2267 2.3662 2.3662 2.4988 2.4988 3.5599 3.5599 3.6905 3.6905 14.4087 14.4087 15.1751 15.1751 17.4428 17.4428 17.7253 17.7253 k = 0.4333 0.2502 0.3498 ( 1814 PWs) bands (ev): -67.2106 -67.2106 -34.1698 -34.1698 -33.8945 -33.8945 -33.8669 -33.8669 -13.7400 -13.7400 -13.3181 -13.3181 -1.6091 -1.6091 -1.2479 -1.2479 2.3578 2.3578 2.4777 2.4777 3.5541 3.5541 3.6854 3.6854 14.4400 14.4400 15.1504 15.1504 17.4526 17.4526 17.7277 17.7277 k = 0.4417 0.2550 0.3498 ( 1814 PWs) bands (ev): -67.2106 -67.2106 -34.1701 -34.1701 -33.8949 -33.8949 -33.8669 -33.8669 -13.7298 -13.7298 -13.3183 -13.3183 -1.5974 -1.5974 -1.2684 -1.2684 2.3511 2.3511 2.4583 2.4583 3.5489 3.5489 3.6808 3.6808 14.4691 14.4691 15.1266 15.1266 17.4614 17.4614 17.7297 17.7297 k = 0.4500 0.2598 0.3498 ( 1810 PWs) bands (ev): -67.2105 -67.2105 -34.1703 -34.1703 -33.8951 -33.8951 -33.8668 -33.8668 -13.7208 -13.7208 -13.3186 -13.3186 -1.5857 -1.5857 -1.2877 -1.2877 2.3463 2.3463 2.4406 2.4406 3.5443 3.5443 3.6769 3.6769 14.4959 14.4959 15.1040 15.1040 17.4694 17.4694 17.7311 17.7311 k = 0.4583 0.2646 0.3498 ( 1812 PWs) bands (ev): -67.2105 -67.2105 -34.1704 -34.1704 -33.8954 -33.8954 -33.8669 -33.8669 -13.7130 -13.7130 -13.3189 -13.3189 -1.5742 -1.5742 -1.3058 -1.3058 2.3430 2.3430 2.4247 2.4247 3.5405 3.5405 3.6735 3.6735 14.5200 14.5200 15.0832 15.0832 17.4764 17.4764 17.7320 17.7320 k = 0.4667 0.2694 0.3498 ( 1808 PWs) bands (ev): -67.2105 -67.2105 -34.1705 -34.1705 -33.8956 -33.8956 -33.8668 -33.8668 -13.7065 -13.7065 -13.3193 -13.3193 -1.5633 -1.5633 -1.3221 -1.3221 2.3413 2.3413 2.4108 2.4108 3.5373 3.5373 3.6708 3.6708 14.5409 14.5409 15.0647 15.0647 17.4823 17.4823 17.7326 17.7326 k = 0.4750 0.2742 0.3498 ( 1808 PWs) bands (ev): -67.2105 -67.2105 -34.1707 -34.1707 -33.8957 -33.8957 -33.8668 -33.8668 -13.7014 -13.7014 -13.3196 -13.3196 -1.5535 -1.5535 -1.3360 -1.3360 2.3409 2.3409 2.3990 2.3990 3.5349 3.5349 3.6687 3.6687 14.5581 14.5581 15.0493 15.0493 17.4871 17.4871 17.7327 17.7327 k = 0.4833 0.2791 0.3498 ( 1808 PWs) bands (ev): -67.2104 -67.2104 -34.1707 -34.1707 -33.8959 -33.8959 -33.8668 -33.8668 -13.6977 -13.6977 -13.3199 -13.3199 -1.5457 -1.5457 -1.3469 -1.3469 2.3416 2.3416 2.3896 2.3896 3.5331 3.5331 3.6671 3.6671 14.5711 14.5711 15.0376 15.0376 17.4906 17.4906 17.7328 17.7328 k = 0.4917 0.2839 0.3498 ( 1812 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8959 -33.8959 -33.8668 -33.8668 -13.6955 -13.6955 -13.3201 -13.3201 -1.5405 -1.5405 -1.3540 -1.3540 2.3425 2.3425 2.3834 2.3834 3.5320 3.5320 3.6662 3.6662 14.5791 14.5791 15.0302 15.0302 17.4928 17.4928 17.7327 17.7327 k = 0.5000 0.2887 0.3498 ( 1812 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8668 -33.8668 -13.6947 -13.6947 -13.3202 -13.3202 -1.5387 -1.5387 -1.3564 -1.3564 2.3430 2.3430 2.3812 2.3812 3.5316 3.5316 3.6659 3.6659 14.5818 14.5818 15.0277 15.0277 17.4935 17.4935 17.7327 17.7327 k = 0.5000 0.2887 0.3498 ( 1812 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8668 -33.8668 -13.6947 -13.6947 -13.3202 -13.3202 -1.5387 -1.5387 -1.3564 -1.3564 2.3430 2.3430 2.3812 2.3812 3.5316 3.5316 3.6659 3.6659 14.5818 14.5818 15.0277 15.0277 17.4935 17.4935 17.7327 17.7327 k = 0.4952 0.2969 0.3498 ( 1812 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8668 -33.8668 -13.6945 -13.6945 -13.3202 -13.3202 -1.5384 -1.5384 -1.3562 -1.3562 2.3428 2.3428 2.3812 2.3812 3.5307 3.5307 3.6644 3.6644 14.5841 14.5841 15.0301 15.0301 17.4940 17.4940 17.7334 17.7334 k = 0.4905 0.3052 0.3498 ( 1808 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8959 -33.8959 -33.8669 -33.8669 -13.6937 -13.6937 -13.3204 -13.3204 -1.5377 -1.5377 -1.3555 -1.3555 2.3423 2.3423 2.3812 2.3812 3.5278 3.5278 3.6603 3.6603 14.5907 14.5907 15.0374 15.0374 17.4956 17.4956 17.7355 17.7355 k = 0.4857 0.3134 0.3498 ( 1812 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8959 -33.8959 -33.8670 -33.8670 -13.6923 -13.6923 -13.3208 -13.3208 -1.5365 -1.5365 -1.3544 -1.3544 2.3414 2.3414 2.3811 2.3811 3.5231 3.5231 3.6532 3.6532 14.6018 14.6018 15.0495 15.0495 17.4983 17.4983 17.7390 17.7390 k = 0.4810 0.3217 0.3498 ( 1810 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8959 -33.8959 -33.8670 -33.8670 -13.6905 -13.6905 -13.3212 -13.3212 -1.5348 -1.5348 -1.3528 -1.3528 2.3401 2.3401 2.3810 2.3810 3.5165 3.5165 3.6436 3.6436 14.6173 14.6173 15.0664 15.0664 17.5019 17.5019 17.7438 17.7438 k = 0.4762 0.3299 0.3498 ( 1812 PWs) bands (ev): -67.2104 -67.2104 -34.1709 -34.1709 -33.8959 -33.8959 -33.8672 -33.8672 -13.6881 -13.6881 -13.3218 -13.3218 -1.5327 -1.5327 -1.3508 -1.3508 2.3385 2.3385 2.3809 2.3809 3.5082 3.5082 3.6312 3.6312 14.6370 14.6370 15.0878 15.0878 17.5065 17.5065 17.7499 17.7499 k = 0.4714 0.3382 0.3498 ( 1808 PWs) bands (ev): -67.2104 -67.2104 -34.1709 -34.1709 -33.8959 -33.8959 -33.8673 -33.8673 -13.6852 -13.6852 -13.3226 -13.3226 -1.5301 -1.5301 -1.3484 -1.3484 2.3364 2.3364 2.3808 2.3808 3.4982 3.4982 3.6165 3.6165 14.6609 14.6609 15.1137 15.1137 17.5118 17.5118 17.7573 17.7573 k = 0.4667 0.3464 0.3498 ( 1816 PWs) bands (ev): -67.2104 -67.2104 -34.1709 -34.1709 -33.8958 -33.8958 -33.8675 -33.8675 -13.6817 -13.6817 -13.3235 -13.3235 -1.5271 -1.5271 -1.3456 -1.3456 2.3341 2.3341 2.3805 2.3805 3.4866 3.4866 3.5994 3.5994 14.6888 14.6888 15.1439 15.1439 17.5179 17.5179 17.7658 17.7658 k = 0.4619 0.3547 0.3498 ( 1812 PWs) bands (ev): -67.2104 -67.2104 -34.1709 -34.1709 -33.8958 -33.8958 -33.8677 -33.8677 -13.6778 -13.6778 -13.3245 -13.3245 -1.5236 -1.5236 -1.3424 -1.3424 2.3313 2.3313 2.3801 2.3801 3.4736 3.4736 3.5802 3.5802 14.7206 14.7206 15.1781 15.1781 17.5244 17.5244 17.7754 17.7754 k = 0.4571 0.3629 0.3498 ( 1812 PWs) bands (ev): -67.2104 -67.2104 -34.1710 -34.1710 -33.8957 -33.8957 -33.8679 -33.8679 -13.6734 -13.6734 -13.3257 -13.3257 -1.5196 -1.5196 -1.3390 -1.3390 2.3282 2.3282 2.3796 2.3796 3.4593 3.4593 3.5590 3.5590 14.7561 14.7561 15.2162 15.2162 17.5313 17.5313 17.7860 17.7860 k = 0.4524 0.3712 0.3498 ( 1812 PWs) bands (ev): -67.2103 -67.2103 -34.1710 -34.1710 -33.8957 -33.8957 -33.8681 -33.8681 -13.6685 -13.6685 -13.3271 -13.3271 -1.5153 -1.5153 -1.3353 -1.3353 2.3248 2.3248 2.3789 2.3789 3.4439 3.4439 3.5361 3.5361 14.7951 14.7951 15.2578 15.2578 17.5382 17.5382 17.7974 17.7974 k = 0.4476 0.3794 0.3498 ( 1812 PWs) bands (ev): -67.2103 -67.2103 -34.1710 -34.1710 -33.8957 -33.8957 -33.8684 -33.8684 -13.6631 -13.6631 -13.3286 -13.3286 -1.5106 -1.5106 -1.3314 -1.3314 2.3210 2.3210 2.3779 2.3779 3.4273 3.4273 3.5118 3.5118 14.8375 14.8375 15.3026 15.3026 17.5447 17.5447 17.8097 17.8097 k = 0.4429 0.3876 0.3498 ( 1812 PWs) bands (ev): -67.2103 -67.2103 -34.1711 -34.1711 -33.8956 -33.8956 -33.8686 -33.8686 -13.6573 -13.6573 -13.3304 -13.3304 -1.5055 -1.5055 -1.3273 -1.3273 2.3168 2.3168 2.3768 2.3768 3.4100 3.4100 3.4863 3.4863 14.8831 14.8831 15.3505 15.3505 17.5504 17.5504 17.8226 17.8226 k = 0.4381 0.3959 0.3498 ( 1812 PWs) bands (ev): -67.2103 -67.2103 -34.1711 -34.1711 -33.8956 -33.8956 -33.8689 -33.8689 -13.6511 -13.6511 -13.3323 -13.3323 -1.5001 -1.5001 -1.3230 -1.3230 2.3123 2.3123 2.3753 2.3753 3.3919 3.3919 3.4599 3.4599 14.9315 14.9315 15.4010 15.4010 17.5547 17.5547 17.8360 17.8360 k = 0.4333 0.4041 0.3498 ( 1812 PWs) bands (ev): -67.2103 -67.2103 -34.1712 -34.1712 -33.8955 -33.8955 -33.8692 -33.8692 -13.6444 -13.6444 -13.3344 -13.3344 -1.4944 -1.4944 -1.3188 -1.3188 2.3074 2.3074 2.3734 2.3734 3.3733 3.3733 3.4328 3.4328 14.9828 14.9828 15.4538 15.4538 17.5567 17.5567 17.8497 17.8497 k = 0.4286 0.4124 0.3498 ( 1820 PWs) bands (ev): -67.2102 -67.2102 -34.1712 -34.1712 -33.8955 -33.8955 -33.8695 -33.8695 -13.6373 -13.6373 -13.3368 -13.3368 -1.4883 -1.4883 -1.3145 -1.3145 2.3023 2.3023 2.3712 2.3712 3.3543 3.3543 3.4052 3.4052 15.0365 15.0365 15.5085 15.5085 17.5553 17.5553 17.8637 17.8637 k = 0.4238 0.4206 0.3498 ( 1824 PWs) bands (ev): -67.2102 -67.2102 -34.1713 -34.1713 -33.8954 -33.8954 -33.8698 -33.8698 -13.6299 -13.6299 -13.3394 -13.3394 -1.4820 -1.4820 -1.3103 -1.3103 2.2968 2.2968 2.3686 2.3686 3.3350 3.3350 3.3777 3.3777 15.0924 15.0924 15.5649 15.5649 17.5492 17.5492 17.8777 17.8777 k = 0.4190 0.4289 0.3498 ( 1824 PWs) bands (ev): -67.2102 -67.2102 -34.1714 -34.1714 -33.8954 -33.8954 -33.8701 -33.8701 -13.6221 -13.6221 -13.3422 -13.3422 -1.4754 -1.4754 -1.3063 -1.3063 2.2912 2.2912 2.3654 2.3654 3.3158 3.3158 3.3505 3.3505 15.1505 15.1505 15.6225 15.6225 17.5367 17.5367 17.8916 17.8916 k = 0.4143 0.4371 0.3498 ( 1820 PWs) bands (ev): -67.2102 -67.2102 -34.1714 -34.1714 -33.8953 -33.8953 -33.8704 -33.8704 -13.6139 -13.6139 -13.3453 -13.3453 -1.4685 -1.4685 -1.3024 -1.3024 2.2853 2.2853 2.3618 2.3618 3.2965 3.2965 3.3239 3.3239 15.2104 15.2104 15.6811 15.6811 17.5163 17.5163 17.9054 17.9054 k = 0.4095 0.4454 0.3498 ( 1820 PWs) bands (ev): -67.2101 -67.2101 -34.1715 -34.1715 -33.8953 -33.8953 -33.8707 -33.8707 -13.6055 -13.6055 -13.3486 -13.3486 -1.4615 -1.4615 -1.2988 -1.2988 2.2791 2.2791 2.3577 2.3577 3.2774 3.2774 3.2983 3.2983 15.2719 15.2719 15.7401 15.7401 17.4869 17.4869 17.9186 17.9186 k = 0.4048 0.4536 0.3498 ( 1814 PWs) bands (ev): -67.2101 -67.2101 -34.1715 -34.1715 -33.8952 -33.8952 -33.8710 -33.8710 -13.5967 -13.5967 -13.3523 -13.3523 -1.4542 -1.4542 -1.2955 -1.2955 2.2729 2.2729 2.3531 2.3531 3.2582 3.2582 3.2740 3.2740 15.3348 15.3348 15.7993 15.7993 17.4482 17.4482 17.9310 17.9310 k = 0.4000 0.4619 0.3498 ( 1810 PWs) bands (ev): -67.2101 -67.2101 -34.1716 -34.1716 -33.8952 -33.8952 -33.8712 -33.8712 -13.5877 -13.5877 -13.3562 -13.3562 -1.4468 -1.4468 -1.2927 -1.2927 2.2666 2.2666 2.3480 2.3480 3.2390 3.2390 3.2518 3.2518 15.3990 15.3990 15.8583 15.8583 17.4008 17.4008 17.9249 17.9249 k = 0.3952 0.4701 0.3498 ( 1810 PWs) bands (ev): -67.2101 -67.2101 -34.1716 -34.1716 -33.8952 -33.8952 -33.8715 -33.8715 -13.5784 -13.5784 -13.3604 -13.3604 -1.4392 -1.4392 -1.2904 -1.2904 2.2602 2.2602 2.3424 2.3424 3.2194 3.2194 3.2318 3.2318 15.4641 15.4641 15.9166 15.9166 17.3460 17.3460 17.9200 17.9200 k = 0.3905 0.4784 0.3498 ( 1810 PWs) bands (ev): -67.2100 -67.2100 -34.1717 -34.1717 -33.8951 -33.8951 -33.8717 -33.8717 -13.5690 -13.5690 -13.3650 -13.3650 -1.4314 -1.4314 -1.2887 -1.2887 2.2538 2.2538 2.3363 2.3363 3.2001 3.2001 3.2141 3.2141 15.5301 15.5301 15.9739 15.9739 17.2851 17.2851 17.9193 17.9193 k = 0.3857 0.4866 0.3498 ( 1810 PWs) bands (ev): -67.2100 -67.2100 -34.1718 -34.1718 -33.8951 -33.8951 -33.8720 -33.8720 -13.5593 -13.5593 -13.3699 -13.3699 -1.4236 -1.4236 -1.2876 -1.2876 2.2475 2.2475 2.3298 2.3298 3.1818 3.1818 3.1979 3.1979 15.5968 15.5968 16.0298 16.0298 17.2196 17.2196 17.9217 17.9217 k = 0.3810 0.4949 0.3498 ( 1814 PWs) bands (ev): -67.2100 -67.2100 -34.1718 -34.1718 -33.8951 -33.8951 -33.8722 -33.8722 -13.5495 -13.5495 -13.3751 -13.3751 -1.4156 -1.4156 -1.2872 -1.2872 2.2413 2.2413 2.3231 2.3231 3.1649 3.1649 3.1832 3.1832 15.6639 15.6639 16.0839 16.0839 17.1504 17.1504 17.9262 17.9262 k = 0.3762 0.5031 0.3498 ( 1806 PWs) bands (ev): -67.2100 -67.2100 -34.1719 -34.1719 -33.8951 -33.8951 -33.8724 -33.8724 -13.5396 -13.5396 -13.3807 -13.3807 -1.4075 -1.4075 -1.2874 -1.2874 2.2355 2.2355 2.3163 2.3163 3.1498 3.1498 3.1697 3.1697 15.7313 15.7313 16.1359 16.1359 17.0784 17.0784 17.9321 17.9321 k = 0.3714 0.5114 0.3498 ( 1810 PWs) bands (ev): -67.2099 -67.2099 -34.1719 -34.1719 -33.8951 -33.8951 -33.8726 -33.8726 -13.5296 -13.5296 -13.3867 -13.3867 -1.3993 -1.3993 -1.2886 -1.2886 2.2299 2.2299 2.3094 2.3094 3.1365 3.1365 3.1574 3.1574 15.7987 15.7987 16.1852 16.1852 17.0043 17.0043 17.9387 17.9388 k = 0.3667 0.5196 0.3498 ( 1810 PWs) bands (ev): -67.2099 -67.2099 -34.1720 -34.1720 -33.8952 -33.8952 -33.8728 -33.8728 -13.5195 -13.5195 -13.3931 -13.3931 -1.3910 -1.3910 -1.2906 -1.2906 2.2247 2.2247 2.3028 2.3028 3.1251 3.1251 3.1464 3.1464 15.8662 15.8662 16.2316 16.2316 16.9288 16.9288 17.9459 17.9459 k = 0.3619 0.5279 0.3498 ( 1806 PWs) bands (ev): -67.2099 -67.2099 -34.1720 -34.1720 -33.8952 -33.8952 -33.8729 -33.8729 -13.5093 -13.5093 -13.3999 -13.3999 -1.3827 -1.3827 -1.2935 -1.2935 2.2200 2.2200 2.2965 2.2965 3.1156 3.1156 3.1367 3.1367 15.9332 15.9332 16.2747 16.2747 16.8522 16.8522 17.9533 17.9533 k = 0.3571 0.5361 0.3498 ( 1814 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8952 -33.8952 -33.8730 -33.8730 -13.4992 -13.4992 -13.4071 -13.4071 -1.3743 -1.3743 -1.2973 -1.2973 2.2157 2.2157 2.2906 2.2906 3.1078 3.1078 3.1282 3.1282 15.9997 15.9997 16.3140 16.3140 16.7751 16.7751 17.9605 17.9605 k = 0.3524 0.5444 0.3498 ( 1814 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8952 -33.8952 -33.8731 -33.8731 -13.4891 -13.4891 -13.4147 -13.4147 -1.3658 -1.3658 -1.3021 -1.3021 2.2122 2.2122 2.2855 2.2855 3.1017 3.1017 3.1212 3.1212 16.0651 16.0651 16.3493 16.3493 16.6981 16.6981 17.9677 17.9677 k = 0.3476 0.5526 0.3498 ( 1814 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8952 -33.8952 -33.8732 -33.8732 -13.4790 -13.4790 -13.4227 -13.4227 -1.3572 -1.3572 -1.3078 -1.3078 2.2093 2.2093 2.2813 2.2813 3.0973 3.0973 3.1156 3.1156 16.1287 16.1287 16.3803 16.3803 16.6221 16.6221 17.9745 17.9745 k = 0.3429 0.5609 0.3498 ( 1816 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8952 -33.8952 -33.8733 -33.8733 -13.4691 -13.4691 -13.4312 -13.4312 -1.3485 -1.3485 -1.3145 -1.3145 2.2071 2.2071 2.2780 2.2780 3.0943 3.0943 3.1114 3.1114 16.1886 16.1886 16.4068 16.4068 16.5491 16.5491 17.9810 17.9810 k = 0.3381 0.5691 0.3498 ( 1816 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8952 -33.8952 -33.8733 -33.8733 -13.4592 -13.4592 -13.4401 -13.4401 -1.3397 -1.3397 -1.3222 -1.3222 2.2058 2.2058 2.2760 2.2760 3.0927 3.0927 3.1089 3.1089 16.2395 16.2395 16.4286 16.4286 16.4845 16.4845 17.9870 17.9870 k = 0.3333 0.5774 0.3498 ( 1812 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8952 -33.8952 -33.8733 -33.8733 -13.4498 -13.4498 -13.4492 -13.4492 -1.3312 -1.3312 -1.3302 -1.3302 2.2054 2.2054 2.2754 2.2754 3.0922 3.0922 3.1081 3.1081 16.2636 16.2636 16.4437 16.4437 16.4481 16.4481 17.9917 17.9956 k = 0.3333 0.5774 0.3498 ( 1812 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8952 -33.8952 -33.8733 -33.8733 -13.4498 -13.4498 -13.4492 -13.4492 -1.3312 -1.3312 -1.3302 -1.3302 2.2054 2.2054 2.2754 2.2754 3.0922 3.0922 3.1081 3.1081 16.2636 16.2636 16.4437 16.4437 16.4481 16.4481 17.9912 17.9965 k = 0.3285 0.5690 0.3498 ( 1820 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8953 -33.8953 -33.8733 -33.8733 -13.4595 -13.4595 -13.4399 -13.4399 -1.3404 -1.3404 -1.3215 -1.3215 2.2058 2.2058 2.2761 2.2761 3.0926 3.0926 3.1089 3.1089 16.2359 16.2359 16.4559 16.4559 16.4608 16.4608 17.9863 17.9863 k = 0.3237 0.5606 0.3498 ( 1820 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8952 -33.8952 -33.8733 -33.8733 -13.4700 -13.4700 -13.4304 -13.4304 -1.3508 -1.3508 -1.3121 -1.3121 2.2073 2.2073 2.2784 2.2784 3.0941 3.0941 3.1115 3.1115 16.1744 16.1744 16.4659 16.4659 16.5041 16.5041 17.9784 17.9784 k = 0.3188 0.5522 0.3498 ( 1820 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8952 -33.8952 -33.8732 -33.8732 -13.4809 -13.4809 -13.4212 -13.4212 -1.3621 -1.3621 -1.3025 -1.3025 2.2098 2.2098 2.2824 2.2824 3.0967 3.0967 3.1157 3.1157 16.1021 16.1021 16.4692 16.4692 16.5596 16.5596 17.9687 17.9687 k = 0.3140 0.5439 0.3498 ( 1820 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8952 -33.8952 -33.8732 -33.8732 -13.4924 -13.4924 -13.4123 -13.4123 -1.3741 -1.3741 -1.2927 -1.2927 2.2132 2.2132 2.2881 2.2881 3.1003 3.1003 3.1213 3.1213 16.0264 16.0264 16.4682 16.4682 16.6181 16.6181 17.9576 17.9577 k = 0.3092 0.5355 0.3498 ( 1818 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8951 -33.8951 -33.8731 -33.8731 -13.5043 -13.5043 -13.4037 -13.4037 -1.3868 -1.3868 -1.2827 -1.2827 2.2177 2.2177 2.2956 2.2956 3.1051 3.1051 3.1282 3.1282 15.9493 15.9493 16.4632 16.4632 16.6770 16.6770 17.9452 17.9452 k = 0.3043 0.5271 0.3498 ( 1814 PWs) bands (ev): -67.2099 -67.2099 -34.1720 -34.1720 -33.8950 -33.8950 -33.8730 -33.8730 -13.5167 -13.5167 -13.3954 -13.3954 -1.4002 -1.4002 -1.2725 -1.2725 2.2232 2.2232 2.3048 2.3048 3.1111 3.1111 3.1364 3.1364 15.8719 15.8719 16.4546 16.4546 16.7355 16.7355 17.9315 17.9315 k = 0.2995 0.5188 0.3498 ( 1814 PWs) bands (ev): -67.2100 -67.2100 -34.1719 -34.1719 -33.8949 -33.8949 -33.8728 -33.8728 -13.5296 -13.5296 -13.3875 -13.3875 -1.4141 -1.4141 -1.2619 -1.2619 2.2298 2.2298 2.3158 2.3158 3.1183 3.1183 3.1456 3.1456 15.7945 15.7945 16.4429 16.4429 16.7929 16.7929 17.9165 17.9165 k = 0.2947 0.5104 0.3498 ( 1816 PWs) bands (ev): -67.2100 -67.2100 -34.1718 -34.1718 -33.8948 -33.8948 -33.8727 -33.8727 -13.5430 -13.5430 -13.3800 -13.3800 -1.4284 -1.4284 -1.2510 -1.2510 2.2373 2.2373 2.3285 2.3285 3.1267 3.1267 3.1558 3.1558 15.7173 15.7173 16.4283 16.4283 16.8490 16.8490 17.9003 17.9003 k = 0.2899 0.5020 0.3498 ( 1808 PWs) bands (ev): -67.2100 -67.2100 -34.1716 -34.1716 -33.8947 -33.8947 -33.8726 -33.8726 -13.5568 -13.5568 -13.3729 -13.3729 -1.4431 -1.4431 -1.2398 -1.2398 2.2460 2.2460 2.3431 2.3431 3.1364 3.1364 3.1671 3.1671 15.6405 15.6405 16.4113 16.4113 16.9036 16.9036 17.8828 17.8828 k = 0.2850 0.4937 0.3498 ( 1804 PWs) bands (ev): -67.2100 -67.2100 -34.1715 -34.1715 -33.8945 -33.8945 -33.8724 -33.8724 -13.5711 -13.5711 -13.3663 -13.3663 -1.4580 -1.4580 -1.2283 -1.2283 2.2556 2.2556 2.3592 2.3592 3.1474 3.1474 3.1792 3.1792 15.5641 15.5641 16.3923 16.3923 16.9564 16.9564 17.8641 17.8641 k = 0.2802 0.4853 0.3498 ( 1808 PWs) bands (ev): -67.2101 -67.2101 -34.1713 -34.1713 -33.8943 -33.8943 -33.8723 -33.8723 -13.5859 -13.5859 -13.3601 -13.3601 -1.4731 -1.4731 -1.2164 -1.2164 2.2662 2.2662 2.3769 2.3769 3.1595 3.1595 3.1922 3.1922 15.4881 15.4881 16.3715 16.3715 17.0072 17.0072 17.8440 17.8440 k = 0.2754 0.4769 0.3498 ( 1812 PWs) bands (ev): -67.2101 -67.2101 -34.1712 -34.1712 -33.8941 -33.8941 -33.8721 -33.8721 -13.6011 -13.6011 -13.3544 -13.3544 -1.4884 -1.4884 -1.2042 -1.2042 2.2777 2.2777 2.3963 2.3963 3.1728 3.1728 3.2059 3.2059 15.4126 15.4126 16.3493 16.3493 17.0559 17.0559 17.8227 17.8227 k = 0.2705 0.4686 0.3498 ( 1820 PWs) bands (ev): -67.2102 -67.2102 -34.1710 -34.1710 -33.8939 -33.8939 -33.8720 -33.8720 -13.6168 -13.6168 -13.3492 -13.3492 -1.5037 -1.5037 -1.1916 -1.1916 2.2902 2.2902 2.4171 2.4171 3.1873 3.1873 3.2205 3.2205 15.3375 15.3375 16.3258 16.3258 17.1024 17.1024 17.8002 17.8002 k = 0.2657 0.4602 0.3498 ( 1824 PWs) bands (ev): -67.2102 -67.2102 -34.1708 -34.1708 -33.8936 -33.8936 -33.8718 -33.8718 -13.6329 -13.6329 -13.3445 -13.3445 -1.5188 -1.5188 -1.1785 -1.1785 2.3037 2.3037 2.4393 2.4393 3.2030 3.2030 3.2357 3.2357 15.2629 15.2629 16.3015 16.3015 17.1466 17.1466 17.7764 17.7764 k = 0.2609 0.4518 0.3498 ( 1820 PWs) bands (ev): -67.2103 -67.2103 -34.1706 -34.1706 -33.8933 -33.8933 -33.8716 -33.8716 -13.6493 -13.6493 -13.3403 -13.3403 -1.5337 -1.5337 -1.1651 -1.1651 2.3182 2.3182 2.4629 2.4629 3.2198 3.2198 3.2517 3.2517 15.1886 15.1886 16.2763 16.2763 17.1886 17.1886 17.7514 17.7514 k = 0.2560 0.4435 0.3498 ( 1816 PWs) bands (ev): -67.2103 -67.2103 -34.1703 -34.1703 -33.8930 -33.8930 -33.8715 -33.8715 -13.6662 -13.6662 -13.3366 -13.3366 -1.5484 -1.5484 -1.1513 -1.1513 2.3337 2.3337 2.4878 2.4878 3.2378 3.2378 3.2685 3.2685 15.1147 15.1147 16.2504 16.2504 17.2283 17.2283 17.7252 17.7252 k = 0.2512 0.4351 0.3498 ( 1820 PWs) bands (ev): -67.2104 -67.2104 -34.1700 -34.1700 -33.8926 -33.8926 -33.8713 -33.8713 -13.6834 -13.6834 -13.3335 -13.3335 -1.5628 -1.5628 -1.1371 -1.1371 2.3502 2.3502 2.5139 2.5139 3.2567 3.2567 3.2858 3.2858 15.0411 15.0411 16.2239 16.2239 17.2659 17.2659 17.6979 17.6979 k = 0.2464 0.4267 0.3498 ( 1824 PWs) bands (ev): -67.2105 -67.2105 -34.1698 -34.1698 -33.8923 -33.8923 -33.8711 -33.8711 -13.7010 -13.7010 -13.3310 -13.3310 -1.5768 -1.5768 -1.1225 -1.1225 2.3676 2.3676 2.5411 2.5411 3.2766 3.2766 3.3037 3.3037 14.9677 14.9677 16.1967 16.1967 17.3015 17.3015 17.6695 17.6695 k = 0.2415 0.4184 0.3498 ( 1828 PWs) bands (ev): -67.2106 -67.2106 -34.1695 -34.1695 -33.8919 -33.8919 -33.8709 -33.8709 -13.7190 -13.7190 -13.3290 -13.3290 -1.5904 -1.5904 -1.1075 -1.1075 2.3859 2.3859 2.5693 2.5693 3.2974 3.2974 3.3221 3.3221 14.8944 14.8944 16.1691 16.1691 17.3354 17.3354 17.6402 17.6402 k = 0.2367 0.4100 0.3498 ( 1828 PWs) bands (ev): -67.2106 -67.2106 -34.1691 -34.1691 -33.8914 -33.8914 -33.8707 -33.8707 -13.7372 -13.7372 -13.3275 -13.3275 -1.6034 -1.6034 -1.0922 -1.0922 2.4053 2.4053 2.5986 2.5986 3.3190 3.3190 3.3412 3.3412 14.8213 14.8213 16.1408 16.1408 17.3678 17.3678 17.6102 17.6102 k = 0.2319 0.4016 0.3498 ( 1824 PWs) bands (ev): -67.2107 -67.2107 -34.1688 -34.1688 -33.8909 -33.8909 -33.8705 -33.8705 -13.7557 -13.7557 -13.3267 -13.3267 -1.6160 -1.6160 -1.0765 -1.0765 2.4258 2.4258 2.6289 2.6289 3.3415 3.3415 3.3608 3.3608 14.7483 14.7483 16.1118 16.1118 17.3991 17.3991 17.5796 17.5796 k = 0.2271 0.3933 0.3498 ( 1824 PWs) bands (ev): -67.2108 -67.2108 -34.1684 -34.1684 -33.8904 -33.8904 -33.8704 -33.8704 -13.7745 -13.7745 -13.3263 -13.3263 -1.6280 -1.6280 -1.0606 -1.0606 2.4473 2.4473 2.6600 2.6600 3.3645 3.3645 3.3809 3.3809 14.6752 14.6752 16.0821 16.0821 17.4295 17.4295 17.5486 17.5486 k = 0.2222 0.3849 0.3498 ( 1824 PWs) bands (ev): -67.2109 -67.2109 -34.1680 -34.1680 -33.8899 -33.8899 -33.8702 -33.8702 -13.7935 -13.7935 -13.3266 -13.3266 -1.6394 -1.6394 -1.0444 -1.0444 2.4698 2.4698 2.6920 2.6920 3.3881 3.3881 3.4016 3.4016 14.6020 14.6020 16.0514 16.0514 17.4595 17.4595 17.5175 17.5175 k = 0.2174 0.3765 0.3498 ( 1824 PWs) bands (ev): -67.2110 -67.2110 -34.1676 -34.1676 -33.8893 -33.8893 -33.8700 -33.8700 -13.8127 -13.8127 -13.3273 -13.3273 -1.6501 -1.6501 -1.0279 -1.0279 2.4934 2.4934 2.7247 2.7247 3.4119 3.4119 3.4230 3.4230 14.5286 14.5286 16.0196 16.0196 17.4844 17.4844 17.4916 17.4916 k = 0.2126 0.3682 0.3498 ( 1820 PWs) bands (ev): -67.2111 -67.2111 -34.1672 -34.1672 -33.8887 -33.8887 -33.8698 -33.8698 -13.8321 -13.8321 -13.3287 -13.3287 -1.6603 -1.6603 -1.0113 -1.0113 2.5182 2.5182 2.7583 2.7583 3.4356 3.4356 3.4454 3.4454 14.4551 14.4551 15.9866 15.9866 17.4556 17.4556 17.5201 17.5201 k = 0.2077 0.3598 0.3498 ( 1820 PWs) bands (ev): -67.2112 -67.2112 -34.1668 -34.1668 -33.8881 -33.8881 -33.8696 -33.8696 -13.8516 -13.8516 -13.3305 -13.3305 -1.6698 -1.6698 -0.9945 -0.9945 2.5442 2.5442 2.7926 2.7926 3.4587 3.4587 3.4690 3.4690 14.3812 14.3812 15.9520 15.9520 17.4258 17.4258 17.5510 17.5510 k = 0.2029 0.3514 0.3498 ( 1816 PWs) bands (ev): -67.2113 -67.2113 -34.1663 -34.1663 -33.8874 -33.8874 -33.8694 -33.8694 -13.8713 -13.8713 -13.3328 -13.3328 -1.6786 -1.6786 -0.9775 -0.9775 2.5712 2.5712 2.8276 2.8276 3.4812 3.4812 3.4939 3.4939 14.3070 14.3070 15.9158 15.9158 17.3970 17.3970 17.5829 17.5829 k = 0.1981 0.3431 0.3498 ( 1816 PWs) bands (ev): -67.2114 -67.2114 -34.1658 -34.1658 -33.8867 -33.8867 -33.8693 -33.8693 -13.8911 -13.8911 -13.3357 -13.3357 -1.6868 -1.6868 -0.9605 -0.9605 2.5995 2.5995 2.8632 2.8632 3.5034 3.5034 3.5195 3.5195 14.2325 14.2325 15.8778 15.8778 17.3696 17.3696 17.6161 17.6161 k = 0.1932 0.3347 0.3498 ( 1816 PWs) bands (ev): -67.2115 -67.2115 -34.1654 -34.1654 -33.8860 -33.8860 -33.8691 -33.8691 -13.9109 -13.9109 -13.3390 -13.3390 -1.6944 -1.6944 -0.9435 -0.9435 2.6290 2.6290 2.8994 2.8994 3.5254 3.5254 3.5456 3.5456 14.1576 14.1576 15.8376 15.8376 17.3438 17.3438 17.6508 17.6508 k = 0.1884 0.3263 0.3498 ( 1812 PWs) bands (ev): -67.2116 -67.2116 -34.1649 -34.1649 -33.8853 -33.8853 -33.8689 -33.8689 -13.9307 -13.9307 -13.3428 -13.3428 -1.7013 -1.7013 -0.9265 -0.9265 2.6598 2.6598 2.9362 2.9362 3.5473 3.5473 3.5720 3.5720 14.0822 14.0822 15.7953 15.7953 17.3199 17.3199 17.6872 17.6872 k = 0.1836 0.3180 0.3498 ( 1804 PWs) bands (ev): -67.2117 -67.2117 -34.1644 -34.1644 -33.8845 -33.8845 -33.8687 -33.8687 -13.9505 -13.9505 -13.3470 -13.3470 -1.7076 -1.7076 -0.9096 -0.9096 2.6918 2.6918 2.9737 2.9737 3.5692 3.5692 3.5986 3.5986 14.0064 14.0064 15.7506 15.7506 17.2982 17.2982 17.7257 17.7257 k = 0.1787 0.3096 0.3498 ( 1808 PWs) bands (ev): -67.2118 -67.2118 -34.1639 -34.1639 -33.8838 -33.8838 -33.8686 -33.8686 -13.9703 -13.9703 -13.3516 -13.3516 -1.7134 -1.7134 -0.8928 -0.8928 2.7250 2.7250 3.0117 3.0117 3.5909 3.5909 3.6251 3.6251 13.9302 13.9302 15.7035 15.7035 17.2788 17.2788 17.7661 17.7661 k = 0.1739 0.3012 0.3498 ( 1808 PWs) bands (ev): -67.2119 -67.2119 -34.1634 -34.1634 -33.8830 -33.8830 -33.8684 -33.8684 -13.9901 -13.9901 -13.3566 -13.3566 -1.7185 -1.7185 -0.8762 -0.8762 2.7595 2.7595 3.0502 3.0502 3.6125 3.6125 3.6516 3.6516 13.8535 13.8535 15.6539 15.6539 17.2619 17.2619 17.8088 17.8088 k = 0.1691 0.2929 0.3498 ( 1808 PWs) bands (ev): -67.2120 -67.2120 -34.1629 -34.1629 -33.8823 -33.8823 -33.8682 -33.8682 -14.0097 -14.0097 -13.3620 -13.3620 -1.7231 -1.7231 -0.8598 -0.8598 2.7952 2.7952 3.0893 3.0893 3.6339 3.6339 3.6780 3.6780 13.7764 13.7764 15.6019 15.6019 17.2476 17.2476 17.8538 17.8538 k = 0.1643 0.2845 0.3498 ( 1808 PWs) bands (ev): -67.2121 -67.2121 -34.1623 -34.1623 -33.8815 -33.8815 -33.8680 -33.8680 -14.0292 -14.0292 -13.3677 -13.3677 -1.7272 -1.7272 -0.8437 -0.8437 2.8321 2.8321 3.1288 3.1288 3.6550 3.6550 3.7041 3.7041 13.6989 13.6989 15.5474 15.5474 17.2360 17.2360 17.9011 17.9011 k = 0.1594 0.2761 0.3498 ( 1810 PWs) bands (ev): -67.2123 -67.2123 -34.1618 -34.1618 -33.8807 -33.8807 -33.8679 -33.8679 -14.0486 -14.0486 -13.3737 -13.3737 -1.7308 -1.7308 -0.8278 -0.8278 2.8703 2.8703 3.1688 3.1688 3.6759 3.6759 3.7300 3.7300 13.6210 13.6210 15.4906 15.4906 17.2269 17.2269 17.9506 17.9506 k = 0.1546 0.2678 0.3498 ( 1810 PWs) bands (ev): -67.2124 -67.2124 -34.1613 -34.1613 -33.8799 -33.8799 -33.8677 -33.8677 -14.0677 -14.0677 -13.3800 -13.3800 -1.7339 -1.7339 -0.8123 -0.8123 2.9096 2.9096 3.2092 3.2092 3.6965 3.6965 3.7555 3.7555 13.5429 13.5429 15.4317 15.4317 17.2204 17.2204 18.0024 18.0024 k = 0.1498 0.2594 0.3498 ( 1810 PWs) bands (ev): -67.2125 -67.2125 -34.1608 -34.1608 -33.8791 -33.8791 -33.8675 -33.8675 -14.0866 -14.0866 -13.3866 -13.3866 -1.7366 -1.7366 -0.7972 -0.7972 2.9501 2.9501 3.2500 3.2500 3.7167 3.7167 3.7806 3.7806 13.4645 13.4645 15.3707 15.3707 17.2163 17.2163 18.0563 18.0563 k = 0.1449 0.2510 0.3498 ( 1812 PWs) bands (ev): -67.2126 -67.2126 -34.1603 -34.1603 -33.8784 -33.8784 -33.8673 -33.8673 -14.1053 -14.1053 -13.3933 -13.3933 -1.7389 -1.7389 -0.7825 -0.7825 2.9917 2.9917 3.2911 3.2911 3.7365 3.7365 3.8053 3.8053 13.3859 13.3859 15.3080 15.3080 17.2145 17.2145 18.1121 18.1121 k = 0.1401 0.2427 0.3498 ( 1812 PWs) bands (ev): -67.2127 -67.2127 -34.1598 -34.1598 -33.8776 -33.8776 -33.8671 -33.8671 -14.1237 -14.1237 -13.4002 -13.4002 -1.7407 -1.7407 -0.7682 -0.7682 3.0343 3.0343 3.3325 3.3325 3.7558 3.7558 3.8295 3.8295 13.3073 13.3073 15.2437 15.2437 17.2149 17.2149 18.1696 18.1696 k = 0.1353 0.2343 0.3498 ( 1816 PWs) bands (ev): -67.2129 -67.2129 -34.1593 -34.1593 -33.8769 -33.8769 -33.8668 -33.8668 -14.1418 -14.1418 -13.4073 -13.4073 -1.7423 -1.7423 -0.7544 -0.7544 3.0778 3.0778 3.3741 3.3741 3.7747 3.7747 3.8530 3.8530 13.2287 13.2287 15.1781 15.1781 17.2173 17.2173 18.2285 18.2285 k = 0.1304 0.2259 0.3498 ( 1812 PWs) bands (ev): -67.2130 -67.2130 -34.1588 -34.1588 -33.8761 -33.8761 -33.8666 -33.8666 -14.1595 -14.1595 -13.4145 -13.4145 -1.7435 -1.7435 -0.7411 -0.7411 3.1222 3.1222 3.4159 3.4159 3.7931 3.7931 3.8761 3.8761 13.1502 13.1502 15.1115 15.1115 17.2215 17.2215 18.2886 18.2886 k = 0.1256 0.2176 0.3498 ( 1808 PWs) bands (ev): -67.2131 -67.2131 -34.1583 -34.1583 -33.8754 -33.8754 -33.8663 -33.8663 -14.1768 -14.1768 -13.4218 -13.4218 -1.7445 -1.7445 -0.7283 -0.7283 3.1674 3.1674 3.4578 3.4578 3.8109 3.8109 3.8984 3.8984 13.0721 13.0721 15.0440 15.0440 17.2273 17.2273 18.3494 18.3494 k = 0.1208 0.2092 0.3498 ( 1808 PWs) bands (ev): -67.2132 -67.2132 -34.1578 -34.1578 -33.8747 -33.8747 -33.8660 -33.8660 -14.1938 -14.1938 -13.4291 -13.4291 -1.7452 -1.7452 -0.7160 -0.7160 3.2131 3.2131 3.4997 3.4997 3.8282 3.8282 3.9201 3.9201 12.9943 12.9943 14.9761 14.9761 17.2344 17.2344 18.4105 18.4105 k = 0.1159 0.2008 0.3498 ( 1806 PWs) bands (ev): -67.2133 -67.2133 -34.1573 -34.1573 -33.8741 -33.8741 -33.8657 -33.8657 -14.2103 -14.2103 -13.4365 -13.4365 -1.7457 -1.7457 -0.7042 -0.7042 3.2594 3.2594 3.5414 3.5414 3.8448 3.8448 3.9411 3.9411 12.9171 12.9171 14.9079 14.9079 17.2428 17.2428 18.4714 18.4714 k = 0.1111 0.1925 0.3498 ( 1806 PWs) bands (ev): -67.2134 -67.2134 -34.1568 -34.1568 -33.8735 -33.8735 -33.8653 -33.8653 -14.2263 -14.2263 -13.4438 -13.4438 -1.7459 -1.7459 -0.6930 -0.6930 3.3060 3.3060 3.5830 3.5830 3.8609 3.8609 3.9614 3.9614 12.8407 12.8407 14.8397 14.8397 17.2521 17.2521 18.5317 18.5317 k = 0.1063 0.1841 0.3498 ( 1802 PWs) bands (ev): -67.2135 -67.2135 -34.1564 -34.1564 -33.8730 -33.8730 -33.8649 -33.8649 -14.2419 -14.2419 -13.4511 -13.4511 -1.7461 -1.7461 -0.6824 -0.6824 3.3529 3.3529 3.6243 3.6243 3.8764 3.8764 3.9809 3.9809 12.7652 12.7652 14.7718 14.7718 17.2623 17.2623 18.5909 18.5909 k = 0.1014 0.1757 0.3498 ( 1802 PWs) bands (ev): -67.2136 -67.2136 -34.1559 -34.1559 -33.8725 -33.8725 -33.8645 -33.8645 -14.2570 -14.2570 -13.4583 -13.4583 -1.7460 -1.7460 -0.6723 -0.6723 3.3998 3.3998 3.6652 3.6652 3.8912 3.8912 3.9996 3.9996 12.6907 12.6907 14.7046 14.7046 17.2730 17.2730 18.6485 18.6485 k = 0.0966 0.1673 0.3498 ( 1802 PWs) bands (ev): -67.2137 -67.2137 -34.1555 -34.1555 -33.8721 -33.8721 -33.8640 -33.8640 -14.2715 -14.2715 -13.4655 -13.4655 -1.7459 -1.7459 -0.6628 -0.6628 3.4466 3.4466 3.7055 3.7055 3.9054 3.9054 4.0175 4.0175 12.6175 12.6175 14.6382 14.6382 17.2843 17.2843 18.7042 18.7042 k = 0.0918 0.1590 0.3498 ( 1802 PWs) bands (ev): -67.2138 -67.2138 -34.1551 -34.1551 -33.8717 -33.8717 -33.8636 -33.8636 -14.2855 -14.2855 -13.4724 -13.4724 -1.7456 -1.7456 -0.6538 -0.6538 3.4930 3.4930 3.7451 3.7451 3.9189 3.9189 4.0346 4.0346 12.5458 12.5458 14.5729 14.5729 17.2959 17.2959 18.7575 18.7575 k = 0.0870 0.1506 0.3498 ( 1806 PWs) bands (ev): -67.2139 -67.2139 -34.1547 -34.1547 -33.8714 -33.8714 -33.8631 -33.8631 -14.2989 -14.2989 -13.4792 -13.4792 -1.7453 -1.7453 -0.6454 -0.6454 3.5389 3.5389 3.7839 3.7839 3.9318 3.9318 4.0509 4.0509 12.4758 12.4758 14.5090 14.5090 17.3076 17.3076 18.8082 18.8082 k = 0.0821 0.1422 0.3498 ( 1802 PWs) bands (ev): -67.2140 -67.2140 -34.1543 -34.1543 -33.8711 -33.8711 -33.8625 -33.8625 -14.3117 -14.3117 -13.4858 -13.4858 -1.7449 -1.7449 -0.6375 -0.6375 3.5842 3.5842 3.8217 3.8217 3.9441 3.9441 4.0663 4.0663 12.4078 12.4078 14.4467 14.4467 17.3193 17.3193 18.8560 18.8560 k = 0.0773 0.1339 0.3498 ( 1802 PWs) bands (ev): -67.2141 -67.2141 -34.1540 -34.1540 -33.8708 -33.8708 -33.8620 -33.8620 -14.3238 -14.3238 -13.4922 -13.4922 -1.7445 -1.7445 -0.6301 -0.6301 3.6285 3.6285 3.8582 3.8582 3.9559 3.9559 4.0809 4.0809 12.3418 12.3418 14.3864 14.3864 17.3310 17.3310 18.9009 18.9009 k = 0.0725 0.1255 0.3498 ( 1798 PWs) bands (ev): -67.2142 -67.2142 -34.1536 -34.1536 -33.8706 -33.8706 -33.8615 -33.8615 -14.3354 -14.3354 -13.4984 -13.4984 -1.7440 -1.7440 -0.6233 -0.6233 3.6717 3.6717 3.8933 3.8933 3.9672 3.9672 4.0946 4.0946 12.2783 12.2783 14.3282 14.3282 17.3424 17.3424 18.9427 18.9427 k = 0.0676 0.1171 0.3498 ( 1798 PWs) bands (ev): -67.2143 -67.2143 -34.1533 -34.1533 -33.8704 -33.8704 -33.8610 -33.8610 -14.3462 -14.3462 -13.5042 -13.5042 -1.7435 -1.7435 -0.6170 -0.6170 3.7135 3.7135 3.9265 3.9265 3.9785 3.9785 4.1075 4.1075 12.2174 12.2174 14.2725 14.2725 17.3535 17.3535 18.9815 18.9815 k = 0.0628 0.1088 0.3498 ( 1794 PWs) bands (ev): -67.2143 -67.2143 -34.1530 -34.1530 -33.8702 -33.8702 -33.8604 -33.8604 -14.3564 -14.3564 -13.5098 -13.5098 -1.7430 -1.7430 -0.6112 -0.6112 3.7537 3.7537 3.9565 3.9565 3.9906 3.9906 4.1195 4.1195 12.1593 12.1593 14.2193 14.2193 17.3642 17.3642 19.0171 19.0171 k = 0.0580 0.1004 0.3498 ( 1798 PWs) bands (ev): -67.2144 -67.2144 -34.1527 -34.1527 -33.8701 -33.8701 -33.8600 -33.8600 -14.3659 -14.3659 -13.5150 -13.5150 -1.7425 -1.7425 -0.6058 -0.6058 3.7921 3.7921 3.9798 3.9798 4.0070 4.0070 4.1306 4.1306 12.1043 12.1043 14.1691 14.1691 17.3744 17.3744 19.0498 19.0498 k = 0.0531 0.0920 0.3498 ( 1798 PWs) bands (ev): -67.2145 -67.2145 -34.1524 -34.1524 -33.8700 -33.8700 -33.8595 -33.8595 -14.3747 -14.3747 -13.5199 -13.5199 -1.7420 -1.7420 -0.6010 -0.6010 3.8285 3.8285 3.9942 3.9942 4.0298 4.0298 4.1409 4.1409 12.0527 12.0527 14.1219 14.1219 17.3841 17.3841 19.0795 19.0795 k = 0.0483 0.0837 0.3498 ( 1796 PWs) bands (ev): -67.2145 -67.2145 -34.1522 -34.1522 -33.8699 -33.8699 -33.8591 -33.8591 -14.3828 -14.3828 -13.5245 -13.5245 -1.7415 -1.7415 -0.5966 -0.5966 3.8625 3.8625 4.0038 4.0038 4.0546 4.0546 4.1504 4.1504 12.0046 12.0046 14.0781 14.0781 17.3931 17.3931 19.1063 19.1063 k = 0.0435 0.0753 0.3498 ( 1796 PWs) bands (ev): -67.2146 -67.2146 -34.1520 -34.1520 -33.8698 -33.8698 -33.8587 -33.8587 -14.3902 -14.3902 -13.5287 -13.5287 -1.7411 -1.7411 -0.5927 -0.5927 3.8940 3.8940 4.0115 4.0115 4.0786 4.0786 4.1590 4.1590 11.9603 11.9603 14.0378 14.0378 17.4013 17.4013 19.1302 19.1302 k = 0.0386 0.0669 0.3498 ( 1804 PWs) bands (ev): -67.2147 -67.2147 -34.1518 -34.1518 -33.8697 -33.8697 -33.8583 -33.8583 -14.3968 -14.3968 -13.5324 -13.5324 -1.7407 -1.7407 -0.5892 -0.5892 3.9228 3.9228 4.0181 4.0181 4.1006 4.1006 4.1668 4.1668 11.9200 11.9200 14.0011 14.0011 17.4089 17.4089 19.1515 19.1515 k = 0.0338 0.0586 0.3498 ( 1804 PWs) bands (ev): -67.2147 -67.2147 -34.1516 -34.1516 -33.8697 -33.8697 -33.8580 -33.8580 -14.4027 -14.4027 -13.5358 -13.5358 -1.7403 -1.7403 -0.5862 -0.5862 3.9485 3.9485 4.0239 4.0239 4.1203 4.1203 4.1739 4.1739 11.8839 11.8839 13.9683 13.9683 17.4156 17.4156 19.1700 19.1700 k = 0.0290 0.0502 0.3498 ( 1800 PWs) bands (ev): -67.2147 -67.2147 -34.1514 -34.1514 -33.8696 -33.8696 -33.8577 -33.8577 -14.4077 -14.4077 -13.5387 -13.5387 -1.7400 -1.7400 -0.5836 -0.5836 3.9711 3.9711 4.0291 4.0291 4.1375 4.1375 4.1804 4.1804 11.8522 11.8522 13.9396 13.9396 17.4215 17.4215 19.1860 19.1860 k = 0.0242 0.0418 0.3498 ( 1800 PWs) bands (ev): -67.2148 -67.2148 -34.1513 -34.1513 -33.8696 -33.8696 -33.8574 -33.8574 -14.4121 -14.4121 -13.5413 -13.5413 -1.7397 -1.7397 -0.5814 -0.5814 3.9901 3.9901 4.0338 4.0338 4.1517 4.1517 4.1863 4.1863 11.8250 11.8250 13.9151 13.9151 17.4266 17.4266 19.1994 19.1994 k = 0.0193 0.0335 0.3498 ( 1800 PWs) bands (ev): -67.2148 -67.2148 -34.1512 -34.1512 -33.8695 -33.8695 -33.8572 -33.8572 -14.4156 -14.4156 -13.5433 -13.5433 -1.7395 -1.7395 -0.5796 -0.5796 4.0052 4.0052 4.0383 4.0383 4.1629 4.1629 4.1918 4.1918 11.8026 11.8026 13.8948 13.8948 17.4308 17.4308 19.2103 19.2103 k = 0.0145 0.0251 0.3498 ( 1804 PWs) bands (ev): -67.2148 -67.2148 -34.1511 -34.1511 -33.8695 -33.8695 -33.8571 -33.8571 -14.4184 -14.4184 -13.5449 -13.5449 -1.7393 -1.7393 -0.5782 -0.5782 4.0161 4.0161 4.0426 4.0426 4.1709 4.1709 4.1967 4.1967 11.7851 11.7851 13.8789 13.8789 17.4340 17.4340 19.2188 19.2188 k = 0.0097 0.0167 0.3498 ( 1804 PWs) bands (ev): -67.2148 -67.2148 -34.1511 -34.1511 -33.8695 -33.8695 -33.8569 -33.8569 -14.4204 -14.4204 -13.5461 -13.5461 -1.7391 -1.7391 -0.5772 -0.5772 4.0231 4.0231 4.0467 4.0467 4.1762 4.1762 4.2007 4.2007 11.7725 11.7725 13.8675 13.8675 17.4364 17.4364 19.2248 19.2248 k = 0.0048 0.0084 0.3498 ( 1816 PWs) bands (ev): -67.2149 -67.2149 -34.1511 -34.1511 -33.8695 -33.8695 -33.8569 -33.8569 -14.4216 -14.4216 -13.5468 -13.5468 -1.7391 -1.7391 -0.5767 -0.5767 4.0268 4.0268 4.0496 4.0496 4.1792 4.1792 4.2034 4.2034 11.7648 11.7648 13.8607 13.8607 17.4377 17.4377 19.2283 19.2283 k = 0.0000 0.0000 0.3498 ( 1820 PWs) bands (ev): -67.2149 -67.2149 -34.1511 -34.1511 -33.8695 -33.8695 -33.8569 -33.8569 -14.4220 -14.4220 -13.5470 -13.5470 -1.7391 -1.7391 -0.5765 -0.5765 4.0279 4.0279 4.0507 4.0507 4.1801 4.1801 4.2043 4.2043 11.7622 11.7622 13.8584 13.8584 17.4382 17.4382 19.2295 19.2295 k = 0.5000 0.2887 0.3498 ( 1812 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8668 -33.8668 -13.6947 -13.6947 -13.3202 -13.3202 -1.5387 -1.5387 -1.3564 -1.3564 2.3430 2.3430 2.3812 2.3812 3.5316 3.5316 3.6659 3.6659 14.5818 14.5818 15.0277 15.0277 17.4935 17.4935 17.7327 17.7327 k = 0.5000 0.2887 0.3403 ( 1812 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8668 -33.8668 -13.6949 -13.6949 -13.3200 -13.3200 -1.5399 -1.5399 -1.3534 -1.3534 2.3230 2.3230 2.3988 2.3988 3.5265 3.5265 3.6711 3.6711 14.5769 14.5769 15.0328 15.0328 17.4599 17.4599 17.7600 17.7600 k = 0.5000 0.2887 0.3309 ( 1816 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8669 -33.8669 -13.6955 -13.6955 -13.3196 -13.3196 -1.5431 -1.5431 -1.3447 -1.3447 2.2890 2.2890 2.4253 2.4253 3.5131 3.5131 3.6850 3.6850 14.5628 14.5628 15.0471 15.0471 17.3853 17.3853 17.8153 17.8153 k = 0.5000 0.2887 0.3214 ( 1816 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8669 -33.8669 -13.6965 -13.6965 -13.3188 -13.3188 -1.5478 -1.5478 -1.3310 -1.3310 2.2514 2.2514 2.4507 2.4507 3.4946 3.4946 3.7042 3.7042 14.5416 14.5416 15.0687 15.0687 17.2962 17.2962 17.8720 17.8720 k = 0.5000 0.2887 0.3119 ( 1820 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8669 -33.8669 -13.6978 -13.6978 -13.3178 -13.3178 -1.5532 -1.5532 -1.3130 -1.3130 2.2112 2.2112 2.4738 2.4738 3.4735 3.4735 3.7263 3.7263 14.5155 14.5155 15.0950 15.0950 17.2022 17.2022 17.9210 17.9210 k = 0.5000 0.2887 0.3025 ( 1816 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8668 -33.8668 -13.6995 -13.6995 -13.3165 -13.3165 -1.5585 -1.5585 -1.2914 -1.2914 2.1689 2.1689 2.4943 2.4943 3.4512 3.4512 3.7501 3.7501 14.4866 14.4866 15.1236 15.1236 17.1075 17.1075 17.9599 17.9599 k = 0.5000 0.2887 0.2930 ( 1812 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8668 -33.8668 -13.7016 -13.7016 -13.3150 -13.3150 -1.5633 -1.5633 -1.2669 -1.2669 2.1247 2.1247 2.5121 2.5121 3.4282 3.4282 3.7747 3.7747 14.4565 14.4565 15.1525 15.1525 17.0143 17.0143 17.9890 17.9890 k = 0.5000 0.2887 0.2836 ( 1812 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8668 -33.8668 -13.7039 -13.7039 -13.3132 -13.3132 -1.5673 -1.5673 -1.2398 -1.2398 2.0787 2.0787 2.5269 2.5269 3.4050 3.4050 3.7998 3.7998 14.4263 14.4263 15.1801 15.1801 16.9240 16.9240 18.0101 18.0101 k = 0.5000 0.2887 0.2741 ( 1816 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8669 -33.8669 -13.7066 -13.7066 -13.3112 -13.3112 -1.5701 -1.5701 -1.2105 -1.2105 2.0312 2.0312 2.5389 2.5389 3.3819 3.3819 3.8251 3.8251 14.3970 14.3970 15.2050 15.2050 16.8379 16.8379 18.0249 18.0249 k = 0.5000 0.2887 0.2647 ( 1812 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8668 -33.8668 -13.7094 -13.7094 -13.3090 -13.3090 -1.5716 -1.5716 -1.1793 -1.1793 1.9824 1.9824 2.5479 2.5479 3.3589 3.3589 3.8504 3.8504 14.3691 14.3691 15.2258 15.2258 16.7570 16.7570 18.0351 18.0351 k = 0.5000 0.2887 0.2552 ( 1812 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8668 -33.8668 -13.7126 -13.7126 -13.3067 -13.3067 -1.5718 -1.5718 -1.1463 -1.1463 1.9324 1.9324 2.5541 2.5541 3.3362 3.3362 3.8757 3.8757 14.3432 14.3432 15.2414 15.2414 16.6822 16.6822 18.0418 18.0418 k = 0.5000 0.2887 0.2458 ( 1800 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8959 -33.8959 -33.8668 -33.8668 -13.7159 -13.7159 -13.3042 -13.3042 -1.5705 -1.5705 -1.1117 -1.1117 1.8814 1.8814 2.5574 2.5574 3.3140 3.3140 3.9008 3.9008 14.3196 14.3196 15.2511 15.2511 16.6141 16.6141 18.0461 18.0461 k = 0.5000 0.2887 0.2363 ( 1796 PWs) bands (ev): -67.2104 -67.2104 -34.1707 -34.1707 -33.8959 -33.8959 -33.8667 -33.8667 -13.7193 -13.7193 -13.3016 -13.3016 -1.5677 -1.5677 -1.0757 -1.0757 1.8295 1.8295 2.5579 2.5579 3.2923 3.2923 3.9256 3.9256 14.2986 14.2986 15.2539 15.2539 16.5534 16.5534 18.0486 18.0486 k = 0.5000 0.2887 0.2269 ( 1798 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8959 -33.8959 -33.8667 -33.8667 -13.7230 -13.7230 -13.2989 -13.2989 -1.5635 -1.5635 -1.0385 -1.0385 1.7769 1.7769 2.5555 2.5555 3.2710 3.2710 3.9500 3.9500 14.2803 14.2803 15.2496 15.2496 16.5003 16.5003 18.0496 18.0496 k = 0.5000 0.2887 0.2174 ( 1802 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8959 -33.8959 -33.8668 -33.8668 -13.7267 -13.7267 -13.2962 -13.2962 -1.5579 -1.5579 -1.0003 -1.0003 1.7239 1.7239 2.5504 2.5504 3.2504 3.2504 3.9739 3.9739 14.2648 14.2648 15.2379 15.2379 16.4548 16.4548 18.0497 18.0497 k = 0.5000 0.2887 0.2080 ( 1802 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8959 -33.8959 -33.8668 -33.8668 -13.7305 -13.7305 -13.2934 -13.2934 -1.5510 -1.5510 -0.9611 -0.9611 1.6706 1.6706 2.5428 2.5428 3.2303 3.2303 3.9974 3.9974 14.2523 14.2523 15.2193 15.2193 16.4166 16.4166 18.0491 18.0491 k = 0.5000 0.2887 0.1985 ( 1802 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8667 -33.8667 -13.7344 -13.7344 -13.2906 -13.2906 -1.5427 -1.5427 -0.9212 -0.9212 1.6173 1.6173 2.5327 2.5327 3.2109 3.2109 4.0202 4.0202 14.2428 14.2428 15.1942 15.1942 16.3850 16.3850 18.0480 18.0480 k = 0.5000 0.2887 0.1891 ( 1794 PWs) bands (ev): -67.2104 -67.2104 -34.1707 -34.1707 -33.8959 -33.8959 -33.8667 -33.8667 -13.7382 -13.7382 -13.2878 -13.2878 -1.5331 -1.5331 -0.8806 -0.8806 1.5640 1.5640 2.5203 2.5203 3.1922 3.1922 4.0425 4.0425 14.2363 14.2363 15.1636 15.1636 16.3592 16.3592 18.0465 18.0465 k = 0.5000 0.2887 0.1796 ( 1810 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8668 -33.8668 -13.7421 -13.7421 -13.2850 -13.2850 -1.5225 -1.5225 -0.8397 -0.8397 1.5110 1.5110 2.5057 2.5057 3.1742 3.1742 4.0640 4.0640 14.2325 14.2325 15.1284 15.1284 16.3380 16.3380 18.0447 18.0447 k = 0.5000 0.2887 0.1702 ( 1808 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8667 -33.8667 -13.7459 -13.7459 -13.2823 -13.2823 -1.5107 -1.5107 -0.7985 -0.7985 1.4587 1.4587 2.4892 2.4892 3.1570 3.1570 4.0848 4.0848 14.2316 14.2316 15.0898 15.0898 16.3208 16.3208 18.0427 18.0427 k = 0.5000 0.2887 0.1607 ( 1814 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8668 -33.8668 -13.7497 -13.7497 -13.2796 -13.2796 -1.4981 -1.4981 -0.7573 -0.7573 1.4070 1.4070 2.4710 2.4710 3.1406 3.1406 4.1048 4.1048 14.2333 14.2333 15.0488 15.0488 16.3063 16.3063 18.0407 18.0407 k = 0.5000 0.2887 0.1512 ( 1814 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8667 -33.8667 -13.7533 -13.7533 -13.2770 -13.2770 -1.4846 -1.4846 -0.7163 -0.7163 1.3563 1.3563 2.4512 2.4512 3.1250 3.1250 4.1240 4.1240 14.2376 14.2376 15.0064 15.0064 16.2940 16.2940 18.0387 18.0387 k = 0.5000 0.2887 0.1418 ( 1812 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8667 -33.8667 -13.7569 -13.7569 -13.2745 -13.2745 -1.4705 -1.4705 -0.6757 -0.6757 1.3069 1.3069 2.4303 2.4303 3.1102 3.1102 4.1422 4.1422 14.2442 14.2442 14.9633 14.9633 16.2830 16.2830 18.0366 18.0366 k = 0.5000 0.2887 0.1323 ( 1816 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8667 -33.8667 -13.7603 -13.7603 -13.2721 -13.2721 -1.4558 -1.4558 -0.6358 -0.6358 1.2590 1.2590 2.4084 2.4084 3.0963 3.0963 4.1595 4.1595 14.2529 14.2529 14.9204 14.9204 16.2729 16.2729 18.0346 18.0346 k = 0.5000 0.2887 0.1229 ( 1818 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8667 -33.8667 -13.7636 -13.7636 -13.2698 -13.2698 -1.4409 -1.4409 -0.5967 -0.5967 1.2127 1.2127 2.3858 2.3858 3.0832 3.0832 4.1759 4.1759 14.2635 14.2635 14.8781 14.8781 16.2633 16.2633 18.0326 18.0326 k = 0.5000 0.2887 0.1134 ( 1814 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8667 -33.8667 -13.7667 -13.7667 -13.2677 -13.2677 -1.4258 -1.4258 -0.5589 -0.5589 1.1684 1.1684 2.3629 2.3629 3.0711 3.0711 4.1912 4.1912 14.2758 14.2758 14.8369 14.8369 16.2539 16.2539 18.0307 18.0307 k = 0.5000 0.2887 0.1040 ( 1818 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8667 -33.8667 -13.7696 -13.7696 -13.2656 -13.2656 -1.4108 -1.4108 -0.5225 -0.5225 1.1264 1.1264 2.3399 2.3399 3.0598 3.0598 4.2054 4.2054 14.2895 14.2895 14.7973 14.7973 16.2448 16.2448 18.0290 18.0290 k = 0.5000 0.2887 0.0945 ( 1818 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8667 -33.8667 -13.7723 -13.7723 -13.2638 -13.2638 -1.3960 -1.3960 -0.4879 -0.4879 1.0868 1.0868 2.3173 2.3173 3.0495 3.0495 4.2186 4.2186 14.3044 14.3044 14.7594 14.7594 16.2357 16.2357 18.0273 18.0273 k = 0.5000 0.2887 0.0851 ( 1818 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8667 -33.8667 -13.7748 -13.7748 -13.2621 -13.2621 -1.3817 -1.3817 -0.4554 -0.4554 1.0500 1.0500 2.2954 2.2954 3.0402 3.0402 4.2306 4.2306 14.3203 14.3203 14.7235 14.7235 16.2268 16.2268 18.0257 18.0257 k = 0.5000 0.2887 0.0756 ( 1814 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8667 -33.8667 -13.7771 -13.7771 -13.2605 -13.2605 -1.3681 -1.3681 -0.4252 -0.4252 1.0162 1.0162 2.2745 2.2745 3.0318 3.0318 4.2414 4.2414 14.3369 14.3369 14.6897 14.6897 16.2181 16.2181 18.0243 18.0243 k = 0.5000 0.2887 0.0662 ( 1812 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8667 -33.8667 -13.7791 -13.7791 -13.2591 -13.2591 -1.3554 -1.3554 -0.3978 -0.3978 0.9856 0.9856 2.2551 2.2551 3.0245 3.0245 4.2510 4.2510 14.3540 14.3540 14.6580 14.6580 16.2099 16.2099 18.0231 18.0231 k = 0.5000 0.2887 0.0567 ( 1814 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8667 -33.8667 -13.7809 -13.7809 -13.2579 -13.2579 -1.3438 -1.3438 -0.3732 -0.3732 0.9586 0.9586 2.2373 2.2373 3.0180 3.0180 4.2594 4.2594 14.3715 14.3715 14.6284 14.6284 16.2022 16.2022 18.0220 18.0220 k = 0.5000 0.2887 0.0473 ( 1810 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8667 -33.8667 -13.7824 -13.7824 -13.2569 -13.2569 -1.3337 -1.3337 -0.3519 -0.3519 0.9353 0.9353 2.2217 2.2217 3.0125 3.0125 4.2665 4.2665 14.3892 14.3892 14.6009 14.6009 16.1953 16.1953 18.0211 18.0211 k = 0.5000 0.2887 0.0378 ( 1814 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8667 -33.8667 -13.7837 -13.7837 -13.2560 -13.2560 -1.3251 -1.3251 -0.3341 -0.3341 0.9160 0.9160 2.2084 2.2084 3.0080 3.0080 4.2724 4.2724 14.4070 14.4070 14.5754 14.5754 16.1893 16.1893 18.0203 18.0203 k = 0.5000 0.2887 0.0284 ( 1816 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8667 -33.8667 -13.7847 -13.7847 -13.2553 -13.2553 -1.3181 -1.3181 -0.3200 -0.3200 0.9007 0.9007 2.1978 2.1978 3.0045 3.0045 4.2769 4.2769 14.4247 14.4247 14.5519 14.5519 16.1844 16.1844 18.0197 18.0197 k = 0.5000 0.2887 0.0189 ( 1816 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8667 -33.8667 -13.7854 -13.7854 -13.2549 -13.2549 -1.3131 -1.3131 -0.3099 -0.3099 0.8897 0.8897 2.1900 2.1900 3.0020 3.0020 4.2802 4.2802 14.4421 14.4421 14.5305 14.5305 16.1808 16.1808 18.0192 18.0192 k = 0.5000 0.2887 0.0095 ( 1816 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8667 -33.8667 -13.7858 -13.7858 -13.2546 -13.2546 -1.3100 -1.3100 -0.3037 -0.3037 0.8830 0.8830 2.1853 2.1853 3.0005 3.0005 4.2822 4.2822 14.4581 14.4581 14.5121 14.5121 16.1786 16.1786 18.0190 18.0190 k = 0.5000 0.2887-0.0000 ( 1816 PWs) bands (ev): -67.2104 -67.2104 -34.1708 -34.1708 -33.8960 -33.8960 -33.8667 -33.8667 -13.7859 -13.7859 -13.2545 -13.2545 -1.3090 -1.3090 -0.3016 -0.3016 0.8808 0.8808 2.1837 2.1837 3.0000 3.0000 4.2828 4.2828 14.4667 14.4667 14.5028 14.5028 16.1779 16.1779 18.0189 18.0189 k = 0.3333 0.5774-0.0000 ( 1803 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8953 -33.8953 -33.8730 -33.8730 -13.4668 -13.4668 -13.4662 -13.4662 -0.7620 -0.7620 -0.7604 -0.7604 1.2369 1.2369 2.2379 2.2379 2.2525 2.2525 3.4859 3.4859 15.6605 15.6605 15.6693 15.6693 15.8551 15.8551 18.2076 18.2076 k = 0.3333 0.5774 0.0095 ( 1803 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8953 -33.8953 -33.8730 -33.8730 -13.4668 -13.4668 -13.4662 -13.4662 -0.7633 -0.7633 -0.7617 -0.7617 1.2377 1.2377 2.2397 2.2397 2.2543 2.2543 3.4846 3.4846 15.6613 15.6613 15.6701 15.6701 15.8559 15.8559 18.2078 18.2078 k = 0.3333 0.5774 0.0189 ( 1800 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8953 -33.8953 -33.8730 -33.8730 -13.4667 -13.4667 -13.4661 -13.4661 -0.7671 -0.7671 -0.7655 -0.7655 1.2402 1.2402 2.2450 2.2450 2.2596 2.2596 3.4808 3.4808 15.6638 15.6638 15.6725 15.6725 15.8581 15.8581 18.2083 18.2083 k = 0.3333 0.5774 0.0284 ( 1800 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8953 -33.8953 -33.8730 -33.8730 -13.4665 -13.4665 -13.4659 -13.4659 -0.7734 -0.7734 -0.7718 -0.7718 1.2443 1.2443 2.2538 2.2538 2.2684 2.2684 3.4744 3.4744 15.6680 15.6680 15.6767 15.6767 15.8618 15.8618 18.2092 18.2092 k = 0.3333 0.5774 0.0378 ( 1800 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8953 -33.8953 -33.8730 -33.8730 -13.4663 -13.4663 -13.4657 -13.4657 -0.7822 -0.7822 -0.7806 -0.7806 1.2501 1.2501 2.2660 2.2660 2.2806 2.2806 3.4655 3.4655 15.6738 15.6738 15.6824 15.6824 15.8669 15.8669 18.2103 18.2103 k = 0.3333 0.5774 0.0473 ( 1800 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8953 -33.8953 -33.8730 -33.8730 -13.4660 -13.4660 -13.4654 -13.4654 -0.7932 -0.7932 -0.7917 -0.7917 1.2575 1.2575 2.2814 2.2814 2.2960 2.2960 3.4541 3.4541 15.6813 15.6813 15.6898 15.6898 15.8735 15.8735 18.2117 18.2117 k = 0.3333 0.5774 0.0567 ( 1800 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8953 -33.8953 -33.8730 -33.8730 -13.4657 -13.4657 -13.4651 -13.4651 -0.8064 -0.8064 -0.8049 -0.8049 1.2666 1.2666 2.2999 2.2999 2.3145 2.3145 3.4402 3.4402 15.6905 15.6905 15.6988 15.6988 15.8813 15.8813 18.2134 18.2134 k = 0.3333 0.5774 0.0662 ( 1806 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8953 -33.8953 -33.8730 -33.8730 -13.4653 -13.4653 -13.4647 -13.4647 -0.8216 -0.8216 -0.8201 -0.8201 1.2772 1.2772 2.3212 2.3212 2.3358 2.3358 3.4239 3.4239 15.7013 15.7013 15.7095 15.7095 15.8905 15.8905 18.2152 18.2152 k = 0.3333 0.5774 0.0756 ( 1806 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8953 -33.8953 -33.8730 -33.8730 -13.4649 -13.4649 -13.4643 -13.4643 -0.8386 -0.8386 -0.8372 -0.8372 1.2895 1.2895 2.3452 2.3452 2.3598 2.3598 3.4053 3.4053 15.7137 15.7137 15.7218 15.7218 15.9008 15.9008 18.2171 18.2171 k = 0.3333 0.5774 0.0851 ( 1815 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8953 -33.8953 -33.8731 -33.8731 -13.4645 -13.4645 -13.4639 -13.4639 -0.8573 -0.8573 -0.8559 -0.8559 1.3034 1.3034 2.3716 2.3716 2.3862 2.3862 3.3844 3.3844 15.7278 15.7278 15.7357 15.7357 15.9123 15.9123 18.2190 18.2190 k = 0.3333 0.5774 0.0945 ( 1815 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8953 -33.8953 -33.8731 -33.8731 -13.4639 -13.4639 -13.4633 -13.4633 -0.8774 -0.8774 -0.8760 -0.8760 1.3189 1.3189 2.4001 2.4001 2.4148 2.4148 3.3612 3.3612 15.7436 15.7436 15.7512 15.7512 15.9249 15.9249 18.2209 18.2209 k = 0.3333 0.5774 0.1040 ( 1818 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8953 -33.8953 -33.8731 -33.8731 -13.4634 -13.4634 -13.4628 -13.4628 -0.8986 -0.8986 -0.8973 -0.8973 1.3360 1.3360 2.4306 2.4306 2.4453 2.4453 3.3360 3.3360 15.7609 15.7609 15.7683 15.7683 15.9384 15.9384 18.2227 18.2227 k = 0.3333 0.5774 0.1134 ( 1818 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8953 -33.8953 -33.8731 -33.8731 -13.4628 -13.4628 -13.4622 -13.4622 -0.9209 -0.9209 -0.9195 -0.9195 1.3546 1.3546 2.4626 2.4626 2.4774 2.4774 3.3086 3.3086 15.7799 15.7799 15.7870 15.7870 15.9527 15.9527 18.2244 18.2244 k = 0.3333 0.5774 0.1229 ( 1812 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8953 -33.8953 -33.8731 -33.8731 -13.4621 -13.4621 -13.4615 -13.4615 -0.9438 -0.9438 -0.9426 -0.9426 1.3748 1.3748 2.4960 2.4960 2.5108 2.5108 3.2793 3.2793 15.8004 15.8004 15.8073 15.8073 15.9679 15.9679 18.2258 18.2258 k = 0.3333 0.5774 0.1323 ( 1812 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8953 -33.8953 -33.8731 -33.8731 -13.4615 -13.4615 -13.4609 -13.4609 -0.9675 -0.9675 -0.9662 -0.9662 1.3964 1.3964 2.5305 2.5305 2.5453 2.5453 3.2481 3.2481 15.8226 15.8226 15.8291 15.8291 15.9836 15.9836 18.2270 18.2270 k = 0.3333 0.5774 0.1418 ( 1812 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8953 -33.8953 -33.8731 -33.8731 -13.4608 -13.4608 -13.4602 -13.4602 -0.9914 -0.9914 -0.9902 -0.9902 1.4196 1.4196 2.5657 2.5657 2.5806 2.5806 3.2152 3.2152 15.8462 15.8462 15.8524 15.8524 15.9999 15.9999 18.2279 18.2279 k = 0.3333 0.5774 0.1512 ( 1812 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8953 -33.8953 -33.8731 -33.8731 -13.4601 -13.4601 -13.4595 -13.4595 -1.0156 -1.0156 -1.0144 -1.0144 1.4443 1.4443 2.6015 2.6015 2.6164 2.6164 3.1805 3.1805 15.8714 15.8714 15.8772 15.8772 16.0166 16.0166 18.2284 18.2284 k = 0.3333 0.5774 0.1607 ( 1809 PWs) bands (ev): -67.2099 -67.2099 -34.1721 -34.1721 -33.8953 -33.8953 -33.8731 -33.8731 -13.4594 -13.4594 -13.4588 -13.4588 -1.0398 -1.0398 -1.0386 -1.0386 1.4704 1.4704 2.6375 2.6375 2.6525 2.6525 3.1442 3.1442 15.8980 15.8980 15.9035 15.9035 16.0336 16.0336 18.2285 18.2285 k = 0.3333 0.5774 0.1702 ( 1815 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8953 -33.8953 -33.8731 -33.8731 -13.4587 -13.4587 -13.4581 -13.4581 -1.0638 -1.0638 -1.0626 -1.0626 1.4978 1.4978 2.6736 2.6736 2.6885 2.6885 3.1064 3.1064 15.9260 15.9260 15.9310 15.9310 16.0508 16.0508 18.2283 18.2283 k = 0.3333 0.5774 0.1796 ( 1815 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8953 -33.8953 -33.8732 -33.8732 -13.4579 -13.4579 -13.4574 -13.4574 -1.0875 -1.0875 -1.0864 -1.0864 1.5267 1.5267 2.7094 2.7094 2.7244 2.7244 3.0673 3.0673 15.9553 15.9553 15.9599 15.9599 16.0680 16.0680 18.2277 18.2277 k = 0.3333 0.5774 0.1891 ( 1821 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8953 -33.8953 -33.8732 -33.8732 -13.4572 -13.4572 -13.4567 -13.4567 -1.1108 -1.1108 -1.1097 -1.1097 1.5570 1.5570 2.7446 2.7446 2.7597 2.7597 3.0268 3.0268 15.9859 15.9859 15.9901 15.9901 16.0852 16.0852 18.2267 18.2267 k = 0.3333 0.5774 0.1985 ( 1821 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8953 -33.8953 -33.8732 -33.8732 -13.4565 -13.4565 -13.4559 -13.4559 -1.1334 -1.1334 -1.1323 -1.1323 1.5886 1.5886 2.7792 2.7792 2.7944 2.7944 2.9852 2.9852 16.0177 16.0177 16.0213 16.0213 16.1022 16.1022 18.2253 18.2253 k = 0.3333 0.5774 0.2080 ( 1827 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8953 -33.8953 -33.8733 -33.8733 -13.4558 -13.4558 -13.4553 -13.4553 -1.1553 -1.1553 -1.1542 -1.1542 1.6214 1.6214 2.8129 2.8129 2.8280 2.8280 2.9426 2.9426 16.0504 16.0504 16.0535 16.0535 16.1189 16.1189 18.2236 18.2236 k = 0.3333 0.5774 0.2174 ( 1827 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8953 -33.8953 -33.8733 -33.8733 -13.4551 -13.4551 -13.4546 -13.4546 -1.1763 -1.1763 -1.1752 -1.1752 1.6555 1.6555 2.8454 2.8454 2.8603 2.8603 2.8992 2.8992 16.0841 16.0841 16.0865 16.0865 16.1353 16.1353 18.2216 18.2216 k = 0.3333 0.5774 0.2269 ( 1812 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8952 -33.8952 -33.8732 -33.8732 -13.4545 -13.4545 -13.4539 -13.4539 -1.1962 -1.1962 -1.1952 -1.1952 1.6909 1.6909 2.8539 2.8539 2.8767 2.8767 2.8925 2.8925 16.1185 16.1185 16.1202 16.1202 16.1512 16.1512 18.2193 18.2193 k = 0.3333 0.5774 0.2363 ( 1818 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8953 -33.8953 -33.8733 -33.8733 -13.4538 -13.4538 -13.4533 -13.4533 -1.2151 -1.2151 -1.2141 -1.2141 1.7273 1.7273 2.8089 2.8089 2.9063 2.9063 2.9220 2.9220 16.1533 16.1533 16.1537 16.1537 16.1670 16.1670 18.2168 18.2168 k = 0.3333 0.5774 0.2458 ( 1812 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8952 -33.8952 -33.8733 -33.8733 -13.4532 -13.4532 -13.4527 -13.4527 -1.2328 -1.2328 -1.2318 -1.2318 1.7650 1.7650 2.7631 2.7631 2.9343 2.9343 2.9499 2.9499 16.1790 16.1790 16.1882 16.1882 16.1905 16.1905 18.2142 18.2142 k = 0.3333 0.5774 0.2552 ( 1806 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8952 -33.8952 -33.8732 -33.8732 -13.4527 -13.4527 -13.4521 -13.4521 -1.2493 -1.2493 -1.2482 -1.2482 1.8036 1.8036 2.7168 2.7168 2.9604 2.9604 2.9761 2.9761 16.1934 16.1934 16.2231 16.2231 16.2239 16.2239 18.2115 18.2116 k = 0.3333 0.5774 0.2647 ( 1812 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8952 -33.8952 -33.8733 -33.8733 -13.4521 -13.4521 -13.4516 -13.4516 -1.2644 -1.2644 -1.2634 -1.2634 1.8432 1.8432 2.6699 2.6699 2.9845 2.9845 3.0002 3.0002 16.2061 16.2061 16.2574 16.2574 16.2574 16.2574 18.2088 18.2088 k = 0.3333 0.5774 0.2741 ( 1812 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8952 -33.8952 -33.8733 -33.8733 -13.4517 -13.4517 -13.4511 -13.4511 -1.2781 -1.2781 -1.2771 -1.2771 1.8838 1.8838 2.6228 2.6228 3.0064 3.0064 3.0221 3.0221 16.2177 16.2177 16.2900 16.2900 16.2908 16.2908 18.2061 18.2062 k = 0.3333 0.5774 0.2836 ( 1812 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8952 -33.8952 -33.8733 -33.8733 -13.4512 -13.4512 -13.4507 -13.4507 -1.2904 -1.2904 -1.2894 -1.2894 1.9253 1.9253 2.5754 2.5754 3.0260 3.0260 3.0418 3.0418 16.2281 16.2281 16.3212 16.3212 16.3226 16.3226 18.2031 18.2031 k = 0.3333 0.5774 0.2930 ( 1812 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8952 -33.8952 -33.8733 -33.8733 -13.4508 -13.4508 -13.4503 -13.4503 -1.3011 -1.3011 -1.3001 -1.3001 1.9676 1.9676 2.5279 2.5279 3.0433 3.0433 3.0591 3.0591 16.2373 16.2373 16.3502 16.3503 16.3524 16.3524 18.1598 18.1627 k = 0.3333 0.5774 0.3025 ( 1806 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8952 -33.8952 -33.8733 -33.8733 -13.4505 -13.4505 -13.4500 -13.4500 -1.3102 -1.3102 -1.3092 -1.3092 2.0106 2.0106 2.4805 2.4805 3.0581 3.0581 3.0739 3.0739 16.2452 16.2452 16.3766 16.3766 16.3793 16.3793 18.1110 18.1146 k = 0.3333 0.5774 0.3119 ( 1809 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8952 -33.8952 -33.8733 -33.8733 -13.4503 -13.4503 -13.4497 -13.4497 -1.3177 -1.3177 -1.3167 -1.3167 2.0542 2.0542 2.4332 2.4332 3.0702 3.0702 3.0861 3.0861 16.2518 16.2518 16.3995 16.3995 16.4028 16.4028 18.0689 18.0725 k = 0.3333 0.5774 0.3214 ( 1809 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8952 -33.8952 -33.8733 -33.8733 -13.4500 -13.4500 -13.4495 -13.4495 -1.3236 -1.3236 -1.3226 -1.3226 2.0980 2.0980 2.3865 2.3865 3.0798 3.0798 3.0957 3.0957 16.2569 16.2569 16.4182 16.4182 16.4220 16.4220 18.0353 18.0355 k = 0.3333 0.5774 0.3309 ( 1818 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8953 -33.8953 -33.8733 -33.8733 -13.4499 -13.4499 -13.4494 -13.4494 -1.3279 -1.3279 -1.3268 -1.3268 2.1414 2.1414 2.3410 2.3410 3.0866 3.0866 3.1025 3.1025 16.2606 16.2606 16.4321 16.4321 16.4362 16.4362 18.0126 18.0163 k = 0.3333 0.5774 0.3403 ( 1818 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8953 -33.8953 -33.8733 -33.8733 -13.4498 -13.4498 -13.4493 -13.4493 -1.3304 -1.3304 -1.3294 -1.3294 2.1821 2.1821 2.2990 2.2990 3.0907 3.0907 3.1067 3.1067 16.2629 16.2629 16.4407 16.4407 16.4451 16.4451 17.9958 17.9958 k = 0.3333 0.5774 0.3498 ( 1812 PWs) bands (ev): -67.2099 -67.2099 -34.1722 -34.1722 -33.8952 -33.8952 -33.8733 -33.8733 -13.4498 -13.4498 -13.4492 -13.4492 -1.3312 -1.3312 -1.3302 -1.3302 2.2054 2.2054 2.2754 2.2754 3.0922 3.0922 3.1081 3.1081 16.2636 16.2636 16.4437 16.4437 16.4481 16.4481 17.9908 17.9952 Writing output data file MgxHOx2.save init_run : 0.15s CPU 0.24s WALL ( 1 calls) electrons : 62.76s CPU 64.23s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.01s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 62.75s CPU 64.23s 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 : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.02s CPU 0.02s WALL ( 448 calls) cegterg : 58.48s CPU 59.62s WALL ( 516 calls) Called by sum_band: Called by *egterg: h_psi : 30.43s CPU 31.36s WALL ( 8921 calls) s_psi : 0.39s CPU 0.43s WALL ( 8921 calls) g_psi : 0.05s CPU 0.06s WALL ( 7957 calls) cdiaghg : 26.44s CPU 26.94s WALL ( 8405 calls) cegterg:over : 1.68s CPU 1.79s WALL ( 7957 calls) cegterg:upda : 1.29s CPU 1.26s WALL ( 7957 calls) cegterg:last : 0.80s CPU 0.76s WALL ( 1412 calls) cdiaghg:chol : 1.37s CPU 1.34s WALL ( 8405 calls) cdiaghg:inve : 0.53s CPU 0.54s WALL ( 8405 calls) cdiaghg:para : 1.61s CPU 1.66s WALL ( 16810 calls) Called by h_psi: h_psi:vloc : 29.12s CPU 29.91s WALL ( 8921 calls) h_psi:vnl : 1.27s CPU 1.41s WALL ( 8921 calls) add_vuspsi : 0.43s CPU 0.53s WALL ( 8921 calls) General routines calbec : 0.81s CPU 0.86s WALL ( 8921 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 27.57s CPU 28.18s WALL ( 539400 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.11s CPU 0.11s WALL ( 896 calls) Parallel routines fft_scatter : 11.61s CPU 11.96s WALL ( 539423 calls) PWSCF : 1m12.06s CPU 1m28.81s WALL This run was terminated on: 18:58:13 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=