Program PWSCF v.5.4.0 starts on 12Feb2017 at 4:39:56 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 & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./TiO.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group 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 20 20 5 474 464 73 Max 21 21 6 479 472 80 Sum 745 733 211 17147 16847 2809 bravais-lattice index = 14 lattice parameter (alat) = 5.7278 a.u. unit-cell volume = 173.8344 (a.u.)^3 number of atoms/cell = 2 number of atomic types = 2 number of electrons = 18.00 number of Kohn-Sham states= 26 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.727759 celldm(2)= 1.000000 celldm(3)= 1.068195 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 1.068195 ) 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 0.936158 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Ti read from file: /users/gautes/Pseudo/Ti.rel-pbe-oncvpsp.UPF MD5 check sum: 490816c065db03488b8f3a1c39de4952 Pseudo is Norm-conserving, Zval = 12.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 600 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Ti 12.00 47.86700 Ti( 1.00) 12 Sym. Ops. (no 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 [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 1 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 120 deg rotation - cryst. axis [0,0,1] cryst. s( 3) = ( 0 1 0 ) ( -1 -1 0 ) ( 0 0 1 ) cart. s( 3) = ( -0.5000000 -0.8660254 0.0000000 ) ( 0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 4 120 deg rotation - cryst. axis [0,0,-1] cryst. s( 4) = ( -1 -1 0 ) ( 1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.5000000 0.8660254 -0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 5 180 deg rotation - cryst. axis [1,-1,0] cryst. s( 5) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 -1 ) cart. s( 5) = ( 0.5000000 -0.8660254 0.0000000 ) ( -0.8660254 -0.5000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 180 deg rotation - cryst. axis [2,1,0] cryst. s( 6) = ( 1 1 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 6) = ( 0.5000000 0.8660254 -0.0000000 ) ( 0.8660254 -0.5000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 7 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 7) = ( 1 0 0 ) ( 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. 60 deg rotation - cryst. axis [0,0,1] cryst. s( 9) = ( -1 -1 0 ) ( 1 0 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. 60 deg rotation - cryst. axis [0,0,-1] cryst. s(10) = ( 0 1 0 ) ( -1 -1 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_3h (-62m) there are 9 classes and 3 irreducible representations the character table: E -E 2C3 -2C3 3C2' s_h 2S3 -2S3 3s_v -3C2' -s_h' -3s_v G_7 2.00 -2.00 1.00 -1.00 0.00 0.00 1.73 -1.73 0.00 G_8 2.00 -2.00 1.00 -1.00 0.00 0.00 -1.73 1.73 0.00 G_9 2.00 -2.00 -2.00 2.00 0.00 0.00 0.00 0.00 0.00 the symmetry operations in each class 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'-3C2' 2 -6 -5 -2 5 6 180 deg rotation - cart. axis [0,1,0] 2S3 9 10 inv. 60 deg rotation - cryst. axis [0,0,1] -2S3 -9 -10 inv. 60 deg rotation - cryst. axis [0,0,1] E 3s_v-3s_v 7 -7 inv. 180 deg rotation - cart. axis [0,0,1] 3s_v-3s_v 8 -8 11 -12 -11 12 inv. 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 486 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020576 k( 2) = ( 0.0083333 0.0048113 -0.0000000), wk = 0.0020576 k( 3) = ( 0.0166667 0.0096225 -0.0000000), wk = 0.0020576 k( 4) = ( 0.0250000 0.0144338 -0.0000000), wk = 0.0020576 k( 5) = ( 0.0333333 0.0192450 -0.0000000), wk = 0.0020576 k( 6) = ( 0.0416667 0.0240563 -0.0000000), wk = 0.0020576 k( 7) = ( 0.0500000 0.0288675 -0.0000000), wk = 0.0020576 k( 8) = ( 0.0583333 0.0336788 -0.0000000), wk = 0.0020576 k( 9) = ( 0.0666667 0.0384900 -0.0000000), wk = 0.0020576 k( 10) = ( 0.0750000 0.0433013 -0.0000000), wk = 0.0020576 k( 11) = ( 0.0833333 0.0481125 -0.0000000), wk = 0.0020576 k( 12) = ( 0.0916667 0.0529238 -0.0000000), wk = 0.0020576 k( 13) = ( 0.1000000 0.0577350 -0.0000000), wk = 0.0020576 k( 14) = ( 0.1083333 0.0625463 -0.0000000), wk = 0.0020576 k( 15) = ( 0.1166667 0.0673575 -0.0000000), wk = 0.0020576 k( 16) = ( 0.1250000 0.0721688 -0.0000000), wk = 0.0020576 k( 17) = ( 0.1333333 0.0769800 -0.0000000), wk = 0.0020576 k( 18) = ( 0.1416667 0.0817913 -0.0000000), wk = 0.0020576 k( 19) = ( 0.1500000 0.0866025 -0.0000000), wk = 0.0020576 k( 20) = ( 0.1583333 0.0914138 -0.0000000), wk = 0.0020576 k( 21) = ( 0.1666667 0.0962250 -0.0000000), wk = 0.0020576 k( 22) = ( 0.1750000 0.1010363 -0.0000000), wk = 0.0020576 k( 23) = ( 0.1833333 0.1058475 -0.0000000), wk = 0.0020576 k( 24) = ( 0.1916667 0.1106588 -0.0000000), wk = 0.0020576 k( 25) = ( 0.2000000 0.1154701 -0.0000000), wk = 0.0020576 k( 26) = ( 0.2083333 0.1202813 -0.0000000), wk = 0.0020576 k( 27) = ( 0.2166667 0.1250926 -0.0000000), wk = 0.0020576 k( 28) = ( 0.2250000 0.1299038 -0.0000000), wk = 0.0020576 k( 29) = ( 0.2333333 0.1347151 -0.0000000), wk = 0.0020576 k( 30) = ( 0.2416667 0.1395263 -0.0000000), wk = 0.0020576 k( 31) = ( 0.2500000 0.1443376 -0.0000000), wk = 0.0020576 k( 32) = ( 0.2583333 0.1491488 -0.0000000), wk = 0.0020576 k( 33) = ( 0.2666667 0.1539601 -0.0000000), wk = 0.0020576 k( 34) = ( 0.2750000 0.1587713 -0.0000000), wk = 0.0020576 k( 35) = ( 0.2833333 0.1635826 -0.0000000), wk = 0.0020576 k( 36) = ( 0.2916667 0.1683938 -0.0000000), wk = 0.0020576 k( 37) = ( 0.3000000 0.1732051 -0.0000000), wk = 0.0020576 k( 38) = ( 0.3083333 0.1780163 -0.0000000), wk = 0.0020576 k( 39) = ( 0.3166667 0.1828276 -0.0000000), wk = 0.0020576 k( 40) = ( 0.3250000 0.1876388 -0.0000000), wk = 0.0020576 k( 41) = ( 0.3333333 0.1924501 -0.0000000), wk = 0.0020576 k( 42) = ( 0.3416667 0.1972613 -0.0000000), wk = 0.0020576 k( 43) = ( 0.3500000 0.2020726 -0.0000000), wk = 0.0020576 k( 44) = ( 0.3583333 0.2068838 -0.0000000), wk = 0.0020576 k( 45) = ( 0.3666667 0.2116951 -0.0000000), wk = 0.0020576 k( 46) = ( 0.3750000 0.2165064 -0.0000000), wk = 0.0020576 k( 47) = ( 0.3833333 0.2213176 -0.0000000), wk = 0.0020576 k( 48) = ( 0.3916667 0.2261289 -0.0000000), wk = 0.0020576 k( 49) = ( 0.4000000 0.2309401 -0.0000000), wk = 0.0020576 k( 50) = ( 0.4083333 0.2357514 -0.0000000), wk = 0.0020576 k( 51) = ( 0.4166667 0.2405626 -0.0000000), wk = 0.0020576 k( 52) = ( 0.4250000 0.2453739 -0.0000000), wk = 0.0020576 k( 53) = ( 0.4333333 0.2501851 -0.0000000), wk = 0.0020576 k( 54) = ( 0.4416667 0.2549964 -0.0000000), wk = 0.0020576 k( 55) = ( 0.4500000 0.2598076 -0.0000000), wk = 0.0020576 k( 56) = ( 0.4583333 0.2646189 -0.0000000), wk = 0.0020576 k( 57) = ( 0.4666667 0.2694301 -0.0000000), wk = 0.0020576 k( 58) = ( 0.4750000 0.2742414 -0.0000000), wk = 0.0020576 k( 59) = ( 0.4833333 0.2790526 -0.0000000), wk = 0.0020576 k( 60) = ( 0.4916667 0.2838639 -0.0000000), wk = 0.0020576 k( 61) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020576 k( 62) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020576 k( 63) = ( 0.4952381 0.2969230 -0.0000000), wk = 0.0020576 k( 64) = ( 0.4904762 0.3051709 -0.0000000), wk = 0.0020576 k( 65) = ( 0.4857143 0.3134187 -0.0000000), wk = 0.0020576 k( 66) = ( 0.4809524 0.3216666 -0.0000000), wk = 0.0020576 k( 67) = ( 0.4761905 0.3299144 -0.0000000), wk = 0.0020576 k( 68) = ( 0.4714286 0.3381623 -0.0000000), wk = 0.0020576 k( 69) = ( 0.4666667 0.3464102 -0.0000000), wk = 0.0020576 k( 70) = ( 0.4619048 0.3546580 -0.0000000), wk = 0.0020576 k( 71) = ( 0.4571429 0.3629059 -0.0000000), wk = 0.0020576 k( 72) = ( 0.4523810 0.3711537 -0.0000000), wk = 0.0020576 k( 73) = ( 0.4476191 0.3794016 -0.0000000), wk = 0.0020576 k( 74) = ( 0.4428571 0.3876495 -0.0000000), wk = 0.0020576 k( 75) = ( 0.4380952 0.3958973 -0.0000000), wk = 0.0020576 k( 76) = ( 0.4333333 0.4041452 -0.0000000), wk = 0.0020576 k( 77) = ( 0.4285714 0.4123930 -0.0000000), wk = 0.0020576 k( 78) = ( 0.4238095 0.4206409 -0.0000000), wk = 0.0020576 k( 79) = ( 0.4190476 0.4288888 -0.0000000), wk = 0.0020576 k( 80) = ( 0.4142857 0.4371366 -0.0000000), wk = 0.0020576 k( 81) = ( 0.4095238 0.4453845 -0.0000000), wk = 0.0020576 k( 82) = ( 0.4047619 0.4536324 -0.0000000), wk = 0.0020576 k( 83) = ( 0.4000000 0.4618802 -0.0000000), wk = 0.0020576 k( 84) = ( 0.3952381 0.4701281 -0.0000000), wk = 0.0020576 k( 85) = ( 0.3904762 0.4783759 -0.0000000), wk = 0.0020576 k( 86) = ( 0.3857143 0.4866238 -0.0000000), wk = 0.0020576 k( 87) = ( 0.3809524 0.4948717 -0.0000000), wk = 0.0020576 k( 88) = ( 0.3761905 0.5031195 -0.0000000), wk = 0.0020576 k( 89) = ( 0.3714286 0.5113674 -0.0000000), wk = 0.0020576 k( 90) = ( 0.3666667 0.5196152 -0.0000000), wk = 0.0020576 k( 91) = ( 0.3619048 0.5278631 -0.0000000), wk = 0.0020576 k( 92) = ( 0.3571429 0.5361110 -0.0000000), wk = 0.0020576 k( 93) = ( 0.3523810 0.5443588 -0.0000000), wk = 0.0020576 k( 94) = ( 0.3476190 0.5526067 -0.0000000), wk = 0.0020576 k( 95) = ( 0.3428571 0.5608545 -0.0000000), wk = 0.0020576 k( 96) = ( 0.3380952 0.5691024 -0.0000000), wk = 0.0020576 k( 97) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020576 k( 98) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020576 k( 99) = ( 0.3285714 0.5691024 -0.0000000), wk = 0.0020576 k( 100) = ( 0.3238095 0.5608545 -0.0000000), wk = 0.0020576 k( 101) = ( 0.3190476 0.5526067 -0.0000000), wk = 0.0020576 k( 102) = ( 0.3142857 0.5443588 -0.0000000), wk = 0.0020576 k( 103) = ( 0.3095238 0.5361110 -0.0000000), wk = 0.0020576 k( 104) = ( 0.3047619 0.5278631 -0.0000000), wk = 0.0020576 k( 105) = ( 0.3000000 0.5196152 -0.0000000), wk = 0.0020576 k( 106) = ( 0.2952381 0.5113674 -0.0000000), wk = 0.0020576 k( 107) = ( 0.2904762 0.5031195 -0.0000000), wk = 0.0020576 k( 108) = ( 0.2857143 0.4948717 -0.0000000), wk = 0.0020576 k( 109) = ( 0.2809524 0.4866238 -0.0000000), wk = 0.0020576 k( 110) = ( 0.2761905 0.4783759 -0.0000000), wk = 0.0020576 k( 111) = ( 0.2714286 0.4701281 -0.0000000), wk = 0.0020576 k( 112) = ( 0.2666667 0.4618802 -0.0000000), wk = 0.0020576 k( 113) = ( 0.2619048 0.4536324 -0.0000000), wk = 0.0020576 k( 114) = ( 0.2571429 0.4453845 -0.0000000), wk = 0.0020576 k( 115) = ( 0.2523809 0.4371366 -0.0000000), wk = 0.0020576 k( 116) = ( 0.2476191 0.4288888 -0.0000000), wk = 0.0020576 k( 117) = ( 0.2428571 0.4206409 -0.0000000), wk = 0.0020576 k( 118) = ( 0.2380952 0.4123931 -0.0000000), wk = 0.0020576 k( 119) = ( 0.2333333 0.4041452 -0.0000000), wk = 0.0020576 k( 120) = ( 0.2285714 0.3958973 -0.0000000), wk = 0.0020576 k( 121) = ( 0.2238095 0.3876495 -0.0000000), wk = 0.0020576 k( 122) = ( 0.2190476 0.3794016 -0.0000000), wk = 0.0020576 k( 123) = ( 0.2142857 0.3711537 -0.0000000), wk = 0.0020576 k( 124) = ( 0.2095238 0.3629059 -0.0000000), wk = 0.0020576 k( 125) = ( 0.2047619 0.3546580 -0.0000000), wk = 0.0020576 k( 126) = ( 0.2000000 0.3464102 -0.0000000), wk = 0.0020576 k( 127) = ( 0.1952381 0.3381623 -0.0000000), wk = 0.0020576 k( 128) = ( 0.1904762 0.3299144 -0.0000000), wk = 0.0020576 k( 129) = ( 0.1857143 0.3216666 -0.0000000), wk = 0.0020576 k( 130) = ( 0.1809524 0.3134187 -0.0000000), wk = 0.0020576 k( 131) = ( 0.1761905 0.3051709 -0.0000000), wk = 0.0020576 k( 132) = ( 0.1714286 0.2969230 -0.0000000), wk = 0.0020576 k( 133) = ( 0.1666667 0.2886751 -0.0000000), wk = 0.0020576 k( 134) = ( 0.1619048 0.2804273 -0.0000000), wk = 0.0020576 k( 135) = ( 0.1571429 0.2721794 -0.0000000), wk = 0.0020576 k( 136) = ( 0.1523809 0.2639315 -0.0000000), wk = 0.0020576 k( 137) = ( 0.1476191 0.2556837 -0.0000000), wk = 0.0020576 k( 138) = ( 0.1428571 0.2474358 -0.0000000), wk = 0.0020576 k( 139) = ( 0.1380952 0.2391880 -0.0000000), wk = 0.0020576 k( 140) = ( 0.1333333 0.2309401 -0.0000000), wk = 0.0020576 k( 141) = ( 0.1285714 0.2226922 -0.0000000), wk = 0.0020576 k( 142) = ( 0.1238095 0.2144444 -0.0000000), wk = 0.0020576 k( 143) = ( 0.1190476 0.2061965 -0.0000000), wk = 0.0020576 k( 144) = ( 0.1142857 0.1979487 -0.0000000), wk = 0.0020576 k( 145) = ( 0.1095238 0.1897008 -0.0000000), wk = 0.0020576 k( 146) = ( 0.1047619 0.1814529 -0.0000000), wk = 0.0020576 k( 147) = ( 0.1000000 0.1732051 -0.0000000), wk = 0.0020576 k( 148) = ( 0.0952381 0.1649572 -0.0000000), wk = 0.0020576 k( 149) = ( 0.0904762 0.1567094 -0.0000000), wk = 0.0020576 k( 150) = ( 0.0857143 0.1484615 -0.0000000), wk = 0.0020576 k( 151) = ( 0.0809524 0.1402136 -0.0000000), wk = 0.0020576 k( 152) = ( 0.0761905 0.1319658 -0.0000000), wk = 0.0020576 k( 153) = ( 0.0714286 0.1237179 -0.0000000), wk = 0.0020576 k( 154) = ( 0.0666667 0.1154701 -0.0000000), wk = 0.0020576 k( 155) = ( 0.0619048 0.1072222 -0.0000000), wk = 0.0020576 k( 156) = ( 0.0571429 0.0989743 -0.0000000), wk = 0.0020576 k( 157) = ( 0.0523810 0.0907265 -0.0000000), wk = 0.0020576 k( 158) = ( 0.0476191 0.0824786 -0.0000000), wk = 0.0020576 k( 159) = ( 0.0428571 0.0742307 -0.0000000), wk = 0.0020576 k( 160) = ( 0.0380952 0.0659829 -0.0000000), wk = 0.0020576 k( 161) = ( 0.0333333 0.0577350 -0.0000000), wk = 0.0020576 k( 162) = ( 0.0285714 0.0494872 -0.0000000), wk = 0.0020576 k( 163) = ( 0.0238095 0.0412393 -0.0000000), wk = 0.0020576 k( 164) = ( 0.0190476 0.0329914 -0.0000000), wk = 0.0020576 k( 165) = ( 0.0142857 0.0247436 -0.0000000), wk = 0.0020576 k( 166) = ( 0.0095238 0.0164957 -0.0000000), wk = 0.0020576 k( 167) = ( 0.0047619 0.0082479 -0.0000000), wk = 0.0020576 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020576 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020576 k( 170) = ( 0.0000000 0.0000000 0.0095526), wk = 0.0020576 k( 171) = ( 0.0000000 0.0000000 0.0191053), wk = 0.0020576 k( 172) = ( 0.0000000 0.0000000 0.0286579), wk = 0.0020576 k( 173) = ( 0.0000000 0.0000000 0.0382105), wk = 0.0020576 k( 174) = ( 0.0000000 0.0000000 0.0477632), wk = 0.0020576 k( 175) = ( 0.0000000 0.0000000 0.0573158), wk = 0.0020576 k( 176) = ( 0.0000000 0.0000000 0.0668685), wk = 0.0020576 k( 177) = ( 0.0000000 0.0000000 0.0764211), wk = 0.0020576 k( 178) = ( 0.0000000 0.0000000 0.0859737), wk = 0.0020576 k( 179) = ( 0.0000000 0.0000000 0.0955264), wk = 0.0020576 k( 180) = ( 0.0000000 0.0000000 0.1050790), wk = 0.0020576 k( 181) = ( 0.0000000 0.0000000 0.1146316), wk = 0.0020576 k( 182) = ( 0.0000000 0.0000000 0.1241843), wk = 0.0020576 k( 183) = ( 0.0000000 0.0000000 0.1337369), wk = 0.0020576 k( 184) = ( 0.0000000 0.0000000 0.1432895), wk = 0.0020576 k( 185) = ( 0.0000000 0.0000000 0.1528422), wk = 0.0020576 k( 186) = ( 0.0000000 0.0000000 0.1623948), wk = 0.0020576 k( 187) = ( 0.0000000 0.0000000 0.1719475), wk = 0.0020576 k( 188) = ( 0.0000000 0.0000000 0.1815001), wk = 0.0020576 k( 189) = ( 0.0000000 0.0000000 0.1910527), wk = 0.0020576 k( 190) = ( 0.0000000 0.0000000 0.2006054), wk = 0.0020576 k( 191) = ( 0.0000000 0.0000000 0.2101580), wk = 0.0020576 k( 192) = ( 0.0000000 0.0000000 0.2197106), wk = 0.0020576 k( 193) = ( 0.0000000 0.0000000 0.2292633), wk = 0.0020576 k( 194) = ( 0.0000000 0.0000000 0.2388159), wk = 0.0020576 k( 195) = ( 0.0000000 0.0000000 0.2483685), wk = 0.0020576 k( 196) = ( 0.0000000 0.0000000 0.2579212), wk = 0.0020576 k( 197) = ( 0.0000000 0.0000000 0.2674738), wk = 0.0020576 k( 198) = ( 0.0000000 0.0000000 0.2770265), wk = 0.0020576 k( 199) = ( 0.0000000 0.0000000 0.2865791), wk = 0.0020576 k( 200) = ( 0.0000000 0.0000000 0.2961317), wk = 0.0020576 k( 201) = ( 0.0000000 0.0000000 0.3056844), wk = 0.0020576 k( 202) = ( 0.0000000 0.0000000 0.3152370), wk = 0.0020576 k( 203) = ( 0.0000000 0.0000000 0.3247896), wk = 0.0020576 k( 204) = ( 0.0000000 0.0000000 0.3343423), wk = 0.0020576 k( 205) = ( 0.0000000 0.0000000 0.3438949), wk = 0.0020576 k( 206) = ( 0.0000000 0.0000000 0.3534476), wk = 0.0020576 k( 207) = ( 0.0000000 0.0000000 0.3630002), wk = 0.0020576 k( 208) = ( 0.0000000 0.0000000 0.3725528), wk = 0.0020576 k( 209) = ( 0.0000000 0.0000000 0.3821055), wk = 0.0020576 k( 210) = ( 0.0000000 0.0000000 0.3916581), wk = 0.0020576 k( 211) = ( 0.0000000 0.0000000 0.4012107), wk = 0.0020576 k( 212) = ( 0.0000000 0.0000000 0.4107634), wk = 0.0020576 k( 213) = ( 0.0000000 0.0000000 0.4203160), wk = 0.0020576 k( 214) = ( 0.0000000 0.0000000 0.4298686), wk = 0.0020576 k( 215) = ( 0.0000000 0.0000000 0.4394213), wk = 0.0020576 k( 216) = ( 0.0000000 0.0000000 0.4489739), wk = 0.0020576 k( 217) = ( 0.0000000 0.0000000 0.4585266), wk = 0.0020576 k( 218) = ( 0.0000000 0.0000000 0.4680792), wk = 0.0020576 k( 219) = ( 0.0000000 0.0000000 0.4680792), wk = 0.0020576 k( 220) = ( 0.0083333 0.0048113 0.4680792), wk = 0.0020576 k( 221) = ( 0.0166667 0.0096225 0.4680792), wk = 0.0020576 k( 222) = ( 0.0250000 0.0144338 0.4680792), wk = 0.0020576 k( 223) = ( 0.0333333 0.0192450 0.4680792), wk = 0.0020576 k( 224) = ( 0.0416667 0.0240563 0.4680792), wk = 0.0020576 k( 225) = ( 0.0500000 0.0288675 0.4680792), wk = 0.0020576 k( 226) = ( 0.0583333 0.0336788 0.4680792), wk = 0.0020576 k( 227) = ( 0.0666667 0.0384900 0.4680792), wk = 0.0020576 k( 228) = ( 0.0750000 0.0433013 0.4680792), wk = 0.0020576 k( 229) = ( 0.0833333 0.0481125 0.4680792), wk = 0.0020576 k( 230) = ( 0.0916667 0.0529238 0.4680792), wk = 0.0020576 k( 231) = ( 0.1000000 0.0577350 0.4680792), wk = 0.0020576 k( 232) = ( 0.1083333 0.0625463 0.4680792), wk = 0.0020576 k( 233) = ( 0.1166667 0.0673575 0.4680792), wk = 0.0020576 k( 234) = ( 0.1250000 0.0721688 0.4680792), wk = 0.0020576 k( 235) = ( 0.1333333 0.0769800 0.4680792), wk = 0.0020576 k( 236) = ( 0.1416667 0.0817913 0.4680792), wk = 0.0020576 k( 237) = ( 0.1500000 0.0866025 0.4680792), wk = 0.0020576 k( 238) = ( 0.1583333 0.0914138 0.4680792), wk = 0.0020576 k( 239) = ( 0.1666667 0.0962250 0.4680792), wk = 0.0020576 k( 240) = ( 0.1750000 0.1010363 0.4680792), wk = 0.0020576 k( 241) = ( 0.1833333 0.1058475 0.4680792), wk = 0.0020576 k( 242) = ( 0.1916667 0.1106588 0.4680792), wk = 0.0020576 k( 243) = ( 0.2000000 0.1154701 0.4680792), wk = 0.0020576 k( 244) = ( 0.2083333 0.1202813 0.4680792), wk = 0.0020576 k( 245) = ( 0.2166667 0.1250926 0.4680792), wk = 0.0020576 k( 246) = ( 0.2250000 0.1299038 0.4680792), wk = 0.0020576 k( 247) = ( 0.2333333 0.1347151 0.4680792), wk = 0.0020576 k( 248) = ( 0.2416667 0.1395263 0.4680792), wk = 0.0020576 k( 249) = ( 0.2500000 0.1443376 0.4680792), wk = 0.0020576 k( 250) = ( 0.2583333 0.1491488 0.4680792), wk = 0.0020576 k( 251) = ( 0.2666667 0.1539601 0.4680792), wk = 0.0020576 k( 252) = ( 0.2750000 0.1587713 0.4680792), wk = 0.0020576 k( 253) = ( 0.2833333 0.1635826 0.4680792), wk = 0.0020576 k( 254) = ( 0.2916667 0.1683938 0.4680792), wk = 0.0020576 k( 255) = ( 0.3000000 0.1732051 0.4680792), wk = 0.0020576 k( 256) = ( 0.3083333 0.1780163 0.4680792), wk = 0.0020576 k( 257) = ( 0.3166667 0.1828276 0.4680792), wk = 0.0020576 k( 258) = ( 0.3250000 0.1876388 0.4680792), wk = 0.0020576 k( 259) = ( 0.3333333 0.1924501 0.4680792), wk = 0.0020576 k( 260) = ( 0.3416667 0.1972613 0.4680792), wk = 0.0020576 k( 261) = ( 0.3500000 0.2020726 0.4680792), wk = 0.0020576 k( 262) = ( 0.3583333 0.2068838 0.4680792), wk = 0.0020576 k( 263) = ( 0.3666667 0.2116951 0.4680792), wk = 0.0020576 k( 264) = ( 0.3750000 0.2165064 0.4680792), wk = 0.0020576 k( 265) = ( 0.3833333 0.2213176 0.4680792), wk = 0.0020576 k( 266) = ( 0.3916667 0.2261289 0.4680792), wk = 0.0020576 k( 267) = ( 0.4000000 0.2309401 0.4680792), wk = 0.0020576 k( 268) = ( 0.4083333 0.2357514 0.4680792), wk = 0.0020576 k( 269) = ( 0.4166667 0.2405626 0.4680792), wk = 0.0020576 k( 270) = ( 0.4250000 0.2453739 0.4680792), wk = 0.0020576 k( 271) = ( 0.4333333 0.2501851 0.4680792), wk = 0.0020576 k( 272) = ( 0.4416667 0.2549964 0.4680792), wk = 0.0020576 k( 273) = ( 0.4500000 0.2598076 0.4680792), wk = 0.0020576 k( 274) = ( 0.4583333 0.2646189 0.4680792), wk = 0.0020576 k( 275) = ( 0.4666667 0.2694301 0.4680792), wk = 0.0020576 k( 276) = ( 0.4750000 0.2742414 0.4680792), wk = 0.0020576 k( 277) = ( 0.4833333 0.2790526 0.4680792), wk = 0.0020576 k( 278) = ( 0.4916667 0.2838639 0.4680792), wk = 0.0020576 k( 279) = ( 0.5000000 0.2886751 0.4680792), wk = 0.0020576 k( 280) = ( 0.5000000 0.2886751 0.4680792), wk = 0.0020576 k( 281) = ( 0.4952381 0.2969230 0.4680792), wk = 0.0020576 k( 282) = ( 0.4904762 0.3051709 0.4680792), wk = 0.0020576 k( 283) = ( 0.4857143 0.3134187 0.4680792), wk = 0.0020576 k( 284) = ( 0.4809524 0.3216666 0.4680792), wk = 0.0020576 k( 285) = ( 0.4761905 0.3299144 0.4680792), wk = 0.0020576 k( 286) = ( 0.4714286 0.3381623 0.4680792), wk = 0.0020576 k( 287) = ( 0.4666667 0.3464102 0.4680792), wk = 0.0020576 k( 288) = ( 0.4619048 0.3546580 0.4680792), wk = 0.0020576 k( 289) = ( 0.4571429 0.3629059 0.4680792), wk = 0.0020576 k( 290) = ( 0.4523810 0.3711537 0.4680792), wk = 0.0020576 k( 291) = ( 0.4476191 0.3794016 0.4680792), wk = 0.0020576 k( 292) = ( 0.4428571 0.3876495 0.4680792), wk = 0.0020576 k( 293) = ( 0.4380952 0.3958973 0.4680792), wk = 0.0020576 k( 294) = ( 0.4333333 0.4041452 0.4680792), wk = 0.0020576 k( 295) = ( 0.4285714 0.4123930 0.4680792), wk = 0.0020576 k( 296) = ( 0.4238095 0.4206409 0.4680792), wk = 0.0020576 k( 297) = ( 0.4190476 0.4288888 0.4680792), wk = 0.0020576 k( 298) = ( 0.4142857 0.4371366 0.4680792), wk = 0.0020576 k( 299) = ( 0.4095238 0.4453845 0.4680792), wk = 0.0020576 k( 300) = ( 0.4047619 0.4536324 0.4680792), wk = 0.0020576 k( 301) = ( 0.4000000 0.4618802 0.4680792), wk = 0.0020576 k( 302) = ( 0.3952381 0.4701281 0.4680792), wk = 0.0020576 k( 303) = ( 0.3904762 0.4783759 0.4680792), wk = 0.0020576 k( 304) = ( 0.3857143 0.4866238 0.4680792), wk = 0.0020576 k( 305) = ( 0.3809524 0.4948717 0.4680792), wk = 0.0020576 k( 306) = ( 0.3761905 0.5031195 0.4680792), wk = 0.0020576 k( 307) = ( 0.3714286 0.5113674 0.4680792), wk = 0.0020576 k( 308) = ( 0.3666667 0.5196152 0.4680792), wk = 0.0020576 k( 309) = ( 0.3619048 0.5278631 0.4680792), wk = 0.0020576 k( 310) = ( 0.3571429 0.5361110 0.4680792), wk = 0.0020576 k( 311) = ( 0.3523810 0.5443588 0.4680792), wk = 0.0020576 k( 312) = ( 0.3476190 0.5526067 0.4680792), wk = 0.0020576 k( 313) = ( 0.3428571 0.5608545 0.4680792), wk = 0.0020576 k( 314) = ( 0.3380952 0.5691024 0.4680792), wk = 0.0020576 k( 315) = ( 0.3333333 0.5773503 0.4680792), wk = 0.0020576 k( 316) = ( 0.3333333 0.5773503 0.4680792), wk = 0.0020576 k( 317) = ( 0.3285714 0.5691024 0.4680792), wk = 0.0020576 k( 318) = ( 0.3238095 0.5608545 0.4680792), wk = 0.0020576 k( 319) = ( 0.3190476 0.5526067 0.4680792), wk = 0.0020576 k( 320) = ( 0.3142857 0.5443588 0.4680792), wk = 0.0020576 k( 321) = ( 0.3095238 0.5361110 0.4680792), wk = 0.0020576 k( 322) = ( 0.3047619 0.5278631 0.4680792), wk = 0.0020576 k( 323) = ( 0.3000000 0.5196152 0.4680792), wk = 0.0020576 k( 324) = ( 0.2952381 0.5113674 0.4680792), wk = 0.0020576 k( 325) = ( 0.2904762 0.5031195 0.4680792), wk = 0.0020576 k( 326) = ( 0.2857143 0.4948717 0.4680792), wk = 0.0020576 k( 327) = ( 0.2809524 0.4866238 0.4680792), wk = 0.0020576 k( 328) = ( 0.2761905 0.4783759 0.4680792), wk = 0.0020576 k( 329) = ( 0.2714286 0.4701281 0.4680792), wk = 0.0020576 k( 330) = ( 0.2666667 0.4618802 0.4680792), wk = 0.0020576 k( 331) = ( 0.2619048 0.4536324 0.4680792), wk = 0.0020576 k( 332) = ( 0.2571429 0.4453845 0.4680792), wk = 0.0020576 k( 333) = ( 0.2523809 0.4371366 0.4680792), wk = 0.0020576 k( 334) = ( 0.2476191 0.4288888 0.4680792), wk = 0.0020576 k( 335) = ( 0.2428571 0.4206409 0.4680792), wk = 0.0020576 k( 336) = ( 0.2380952 0.4123931 0.4680792), wk = 0.0020576 k( 337) = ( 0.2333333 0.4041452 0.4680792), wk = 0.0020576 k( 338) = ( 0.2285714 0.3958973 0.4680792), wk = 0.0020576 k( 339) = ( 0.2238095 0.3876495 0.4680792), wk = 0.0020576 k( 340) = ( 0.2190476 0.3794016 0.4680792), wk = 0.0020576 k( 341) = ( 0.2142857 0.3711537 0.4680792), wk = 0.0020576 k( 342) = ( 0.2095238 0.3629059 0.4680792), wk = 0.0020576 k( 343) = ( 0.2047619 0.3546580 0.4680792), wk = 0.0020576 k( 344) = ( 0.2000000 0.3464102 0.4680792), wk = 0.0020576 k( 345) = ( 0.1952381 0.3381623 0.4680792), wk = 0.0020576 k( 346) = ( 0.1904762 0.3299144 0.4680792), wk = 0.0020576 k( 347) = ( 0.1857143 0.3216666 0.4680792), wk = 0.0020576 k( 348) = ( 0.1809524 0.3134187 0.4680792), wk = 0.0020576 k( 349) = ( 0.1761905 0.3051709 0.4680792), wk = 0.0020576 k( 350) = ( 0.1714286 0.2969230 0.4680792), wk = 0.0020576 k( 351) = ( 0.1666667 0.2886751 0.4680792), wk = 0.0020576 k( 352) = ( 0.1619048 0.2804273 0.4680792), wk = 0.0020576 k( 353) = ( 0.1571429 0.2721794 0.4680792), wk = 0.0020576 k( 354) = ( 0.1523809 0.2639315 0.4680792), wk = 0.0020576 k( 355) = ( 0.1476191 0.2556837 0.4680792), wk = 0.0020576 k( 356) = ( 0.1428571 0.2474358 0.4680792), wk = 0.0020576 k( 357) = ( 0.1380952 0.2391880 0.4680792), wk = 0.0020576 k( 358) = ( 0.1333333 0.2309401 0.4680792), wk = 0.0020576 k( 359) = ( 0.1285714 0.2226922 0.4680792), wk = 0.0020576 k( 360) = ( 0.1238095 0.2144444 0.4680792), wk = 0.0020576 k( 361) = ( 0.1190476 0.2061965 0.4680792), wk = 0.0020576 k( 362) = ( 0.1142857 0.1979487 0.4680792), wk = 0.0020576 k( 363) = ( 0.1095238 0.1897008 0.4680792), wk = 0.0020576 k( 364) = ( 0.1047619 0.1814529 0.4680792), wk = 0.0020576 k( 365) = ( 0.1000000 0.1732051 0.4680792), wk = 0.0020576 k( 366) = ( 0.0952381 0.1649572 0.4680792), wk = 0.0020576 k( 367) = ( 0.0904762 0.1567094 0.4680792), wk = 0.0020576 k( 368) = ( 0.0857143 0.1484615 0.4680792), wk = 0.0020576 k( 369) = ( 0.0809524 0.1402136 0.4680792), wk = 0.0020576 k( 370) = ( 0.0761905 0.1319658 0.4680792), wk = 0.0020576 k( 371) = ( 0.0714286 0.1237179 0.4680792), wk = 0.0020576 k( 372) = ( 0.0666667 0.1154701 0.4680792), wk = 0.0020576 k( 373) = ( 0.0619048 0.1072222 0.4680792), wk = 0.0020576 k( 374) = ( 0.0571429 0.0989743 0.4680792), wk = 0.0020576 k( 375) = ( 0.0523810 0.0907265 0.4680792), wk = 0.0020576 k( 376) = ( 0.0476191 0.0824786 0.4680792), wk = 0.0020576 k( 377) = ( 0.0428571 0.0742307 0.4680792), wk = 0.0020576 k( 378) = ( 0.0380952 0.0659829 0.4680792), wk = 0.0020576 k( 379) = ( 0.0333333 0.0577350 0.4680792), wk = 0.0020576 k( 380) = ( 0.0285714 0.0494872 0.4680792), wk = 0.0020576 k( 381) = ( 0.0238095 0.0412393 0.4680792), wk = 0.0020576 k( 382) = ( 0.0190476 0.0329914 0.4680792), wk = 0.0020576 k( 383) = ( 0.0142857 0.0247436 0.4680792), wk = 0.0020576 k( 384) = ( 0.0095238 0.0164957 0.4680792), wk = 0.0020576 k( 385) = ( 0.0047619 0.0082479 0.4680792), wk = 0.0020576 k( 386) = ( 0.0000000 0.0000000 0.4680792), wk = 0.0020576 k( 387) = ( 0.5000000 0.2886751 0.4680792), wk = 0.0020576 k( 388) = ( 0.5000000 0.2886751 0.4585266), wk = 0.0020576 k( 389) = ( 0.5000000 0.2886751 0.4489739), wk = 0.0020576 k( 390) = ( 0.5000000 0.2886751 0.4394213), wk = 0.0020576 k( 391) = ( 0.5000000 0.2886751 0.4298686), wk = 0.0020576 k( 392) = ( 0.5000000 0.2886751 0.4203160), wk = 0.0020576 k( 393) = ( 0.5000000 0.2886751 0.4107634), wk = 0.0020576 k( 394) = ( 0.5000000 0.2886751 0.4012107), wk = 0.0020576 k( 395) = ( 0.5000000 0.2886751 0.3916581), wk = 0.0020576 k( 396) = ( 0.5000000 0.2886751 0.3821055), wk = 0.0020576 k( 397) = ( 0.5000000 0.2886751 0.3725528), wk = 0.0020576 k( 398) = ( 0.5000000 0.2886751 0.3630002), wk = 0.0020576 k( 399) = ( 0.5000000 0.2886751 0.3534476), wk = 0.0020576 k( 400) = ( 0.5000000 0.2886751 0.3438949), wk = 0.0020576 k( 401) = ( 0.5000000 0.2886751 0.3343423), wk = 0.0020576 k( 402) = ( 0.5000000 0.2886751 0.3247896), wk = 0.0020576 k( 403) = ( 0.5000000 0.2886751 0.3152370), wk = 0.0020576 k( 404) = ( 0.5000000 0.2886751 0.3056844), wk = 0.0020576 k( 405) = ( 0.5000000 0.2886751 0.2961317), wk = 0.0020576 k( 406) = ( 0.5000000 0.2886751 0.2865791), wk = 0.0020576 k( 407) = ( 0.5000000 0.2886751 0.2770265), wk = 0.0020576 k( 408) = ( 0.5000000 0.2886751 0.2674738), wk = 0.0020576 k( 409) = ( 0.5000000 0.2886751 0.2579212), wk = 0.0020576 k( 410) = ( 0.5000000 0.2886751 0.2483685), wk = 0.0020576 k( 411) = ( 0.5000000 0.2886751 0.2388159), wk = 0.0020576 k( 412) = ( 0.5000000 0.2886751 0.2292633), wk = 0.0020576 k( 413) = ( 0.5000000 0.2886751 0.2197106), wk = 0.0020576 k( 414) = ( 0.5000000 0.2886751 0.2101580), wk = 0.0020576 k( 415) = ( 0.5000000 0.2886751 0.2006054), wk = 0.0020576 k( 416) = ( 0.5000000 0.2886751 0.1910527), wk = 0.0020576 k( 417) = ( 0.5000000 0.2886751 0.1815001), wk = 0.0020576 k( 418) = ( 0.5000000 0.2886751 0.1719475), wk = 0.0020576 k( 419) = ( 0.5000000 0.2886751 0.1623948), wk = 0.0020576 k( 420) = ( 0.5000000 0.2886751 0.1528422), wk = 0.0020576 k( 421) = ( 0.5000000 0.2886751 0.1432895), wk = 0.0020576 k( 422) = ( 0.5000000 0.2886751 0.1337369), wk = 0.0020576 k( 423) = ( 0.5000000 0.2886751 0.1241843), wk = 0.0020576 k( 424) = ( 0.5000000 0.2886751 0.1146316), wk = 0.0020576 k( 425) = ( 0.5000000 0.2886751 0.1050790), wk = 0.0020576 k( 426) = ( 0.5000000 0.2886751 0.0955264), wk = 0.0020576 k( 427) = ( 0.5000000 0.2886751 0.0859737), wk = 0.0020576 k( 428) = ( 0.5000000 0.2886751 0.0764211), wk = 0.0020576 k( 429) = ( 0.5000000 0.2886751 0.0668685), wk = 0.0020576 k( 430) = ( 0.5000000 0.2886751 0.0573158), wk = 0.0020576 k( 431) = ( 0.5000000 0.2886751 0.0477632), wk = 0.0020576 k( 432) = ( 0.5000000 0.2886751 0.0382105), wk = 0.0020576 k( 433) = ( 0.5000000 0.2886751 0.0286579), wk = 0.0020576 k( 434) = ( 0.5000000 0.2886751 0.0191053), wk = 0.0020576 k( 435) = ( 0.5000000 0.2886751 0.0095526), wk = 0.0020576 k( 436) = ( 0.5000000 0.2886751 -0.0000000), wk = 0.0020576 k( 437) = ( 0.3333333 0.5773503 -0.0000000), wk = 0.0020576 k( 438) = ( 0.3333333 0.5773503 0.0095526), wk = 0.0020576 k( 439) = ( 0.3333333 0.5773503 0.0191053), wk = 0.0020576 k( 440) = ( 0.3333333 0.5773503 0.0286579), wk = 0.0020576 k( 441) = ( 0.3333333 0.5773503 0.0382105), wk = 0.0020576 k( 442) = ( 0.3333333 0.5773503 0.0477632), wk = 0.0020576 k( 443) = ( 0.3333333 0.5773503 0.0573158), wk = 0.0020576 k( 444) = ( 0.3333333 0.5773503 0.0668685), wk = 0.0020576 k( 445) = ( 0.3333333 0.5773503 0.0764211), wk = 0.0020576 k( 446) = ( 0.3333333 0.5773503 0.0859737), wk = 0.0020576 k( 447) = ( 0.3333333 0.5773503 0.0955264), wk = 0.0020576 k( 448) = ( 0.3333333 0.5773503 0.1050790), wk = 0.0020576 k( 449) = ( 0.3333333 0.5773503 0.1146316), wk = 0.0020576 k( 450) = ( 0.3333333 0.5773503 0.1241843), wk = 0.0020576 k( 451) = ( 0.3333333 0.5773503 0.1337369), wk = 0.0020576 k( 452) = ( 0.3333333 0.5773503 0.1432895), wk = 0.0020576 k( 453) = ( 0.3333333 0.5773503 0.1528422), wk = 0.0020576 k( 454) = ( 0.3333333 0.5773503 0.1623948), wk = 0.0020576 k( 455) = ( 0.3333333 0.5773503 0.1719475), wk = 0.0020576 k( 456) = ( 0.3333333 0.5773503 0.1815001), wk = 0.0020576 k( 457) = ( 0.3333333 0.5773503 0.1910527), wk = 0.0020576 k( 458) = ( 0.3333333 0.5773503 0.2006054), wk = 0.0020576 k( 459) = ( 0.3333333 0.5773503 0.2101580), wk = 0.0020576 k( 460) = ( 0.3333333 0.5773503 0.2197106), wk = 0.0020576 k( 461) = ( 0.3333333 0.5773503 0.2292633), wk = 0.0020576 k( 462) = ( 0.3333333 0.5773503 0.2388159), wk = 0.0020576 k( 463) = ( 0.3333333 0.5773503 0.2483685), wk = 0.0020576 k( 464) = ( 0.3333333 0.5773503 0.2579212), wk = 0.0020576 k( 465) = ( 0.3333333 0.5773503 0.2674738), wk = 0.0020576 k( 466) = ( 0.3333333 0.5773503 0.2770265), wk = 0.0020576 k( 467) = ( 0.3333333 0.5773503 0.2865791), wk = 0.0020576 k( 468) = ( 0.3333333 0.5773503 0.2961317), wk = 0.0020576 k( 469) = ( 0.3333333 0.5773503 0.3056844), wk = 0.0020576 k( 470) = ( 0.3333333 0.5773503 0.3152370), wk = 0.0020576 k( 471) = ( 0.3333333 0.5773503 0.3247896), wk = 0.0020576 k( 472) = ( 0.3333333 0.5773503 0.3343423), wk = 0.0020576 k( 473) = ( 0.3333333 0.5773503 0.3438949), wk = 0.0020576 k( 474) = ( 0.3333333 0.5773503 0.3534476), wk = 0.0020576 k( 475) = ( 0.3333333 0.5773503 0.3630002), wk = 0.0020576 k( 476) = ( 0.3333333 0.5773503 0.3725528), wk = 0.0020576 k( 477) = ( 0.3333333 0.5773503 0.3821055), wk = 0.0020576 k( 478) = ( 0.3333333 0.5773503 0.3916581), wk = 0.0020576 k( 479) = ( 0.3333333 0.5773503 0.4012107), wk = 0.0020576 k( 480) = ( 0.3333333 0.5773503 0.4107634), wk = 0.0020576 k( 481) = ( 0.3333333 0.5773503 0.4203160), wk = 0.0020576 k( 482) = ( 0.3333333 0.5773503 0.4298686), wk = 0.0020576 k( 483) = ( 0.3333333 0.5773503 0.4394213), wk = 0.0020576 k( 484) = ( 0.3333333 0.5773503 0.4489739), wk = 0.0020576 k( 485) = ( 0.3333333 0.5773503 0.4585266), wk = 0.0020576 k( 486) = ( 0.3333333 0.5773503 0.4680792), wk = 0.0020576 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020576 k( 2) = ( 0.0083333 -0.0000000 -0.0000000), wk = 0.0020576 k( 3) = ( 0.0166667 0.0000000 -0.0000000), wk = 0.0020576 k( 4) = ( 0.0250000 0.0000000 0.0000000), wk = 0.0020576 k( 5) = ( 0.0333333 0.0000000 -0.0000000), wk = 0.0020576 k( 6) = ( 0.0416667 -0.0000000 -0.0000000), wk = 0.0020576 k( 7) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0020576 k( 8) = ( 0.0583333 0.0000000 0.0000000), wk = 0.0020576 k( 9) = ( 0.0666667 0.0000000 -0.0000000), wk = 0.0020576 k( 10) = ( 0.0750000 0.0000000 -0.0000000), wk = 0.0020576 k( 11) = ( 0.0833333 0.0000000 -0.0000000), wk = 0.0020576 k( 12) = ( 0.0916667 0.0000000 0.0000000), wk = 0.0020576 k( 13) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0020576 k( 14) = ( 0.1083333 -0.0000000 -0.0000000), wk = 0.0020576 k( 15) = ( 0.1166667 0.0000000 0.0000000), wk = 0.0020576 k( 16) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0020576 k( 17) = ( 0.1333333 0.0000000 0.0000000), wk = 0.0020576 k( 18) = ( 0.1416667 0.0000000 -0.0000000), wk = 0.0020576 k( 19) = ( 0.1500000 0.0000000 -0.0000000), wk = 0.0020576 k( 20) = ( 0.1583333 0.0000000 -0.0000000), wk = 0.0020576 k( 21) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0020576 k( 22) = ( 0.1750000 0.0000000 0.0000000), wk = 0.0020576 k( 23) = ( 0.1833333 0.0000000 0.0000000), wk = 0.0020576 k( 24) = ( 0.1916667 0.0000000 0.0000000), wk = 0.0020576 k( 25) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0020576 k( 26) = ( 0.2083333 0.0000000 0.0000000), wk = 0.0020576 k( 27) = ( 0.2166667 0.0000000 0.0000000), wk = 0.0020576 k( 28) = ( 0.2250000 0.0000000 0.0000000), wk = 0.0020576 k( 29) = ( 0.2333333 0.0000000 -0.0000000), wk = 0.0020576 k( 30) = ( 0.2416667 0.0000000 -0.0000000), wk = 0.0020576 k( 31) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0020576 k( 32) = ( 0.2583333 -0.0000000 -0.0000000), wk = 0.0020576 k( 33) = ( 0.2666667 -0.0000000 0.0000000), wk = 0.0020576 k( 34) = ( 0.2750000 0.0000000 -0.0000000), wk = 0.0020576 k( 35) = ( 0.2833333 0.0000000 0.0000000), wk = 0.0020576 k( 36) = ( 0.2916667 0.0000000 -0.0000000), wk = 0.0020576 k( 37) = ( 0.3000000 0.0000000 -0.0000000), wk = 0.0020576 k( 38) = ( 0.3083333 0.0000000 -0.0000000), wk = 0.0020576 k( 39) = ( 0.3166667 0.0000000 -0.0000000), wk = 0.0020576 k( 40) = ( 0.3250000 0.0000000 -0.0000000), wk = 0.0020576 k( 41) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0020576 k( 42) = ( 0.3416667 -0.0000000 -0.0000000), wk = 0.0020576 k( 43) = ( 0.3500000 0.0000000 0.0000000), wk = 0.0020576 k( 44) = ( 0.3583333 -0.0000000 -0.0000000), wk = 0.0020576 k( 45) = ( 0.3666667 0.0000000 -0.0000000), wk = 0.0020576 k( 46) = ( 0.3750000 0.0000000 -0.0000000), wk = 0.0020576 k( 47) = ( 0.3833333 0.0000000 -0.0000000), wk = 0.0020576 k( 48) = ( 0.3916667 0.0000000 -0.0000000), wk = 0.0020576 k( 49) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0020576 k( 50) = ( 0.4083333 0.0000000 0.0000000), wk = 0.0020576 k( 51) = ( 0.4166667 0.0000000 0.0000000), wk = 0.0020576 k( 52) = ( 0.4250000 0.0000000 -0.0000000), wk = 0.0020576 k( 53) = ( 0.4333333 0.0000000 0.0000000), wk = 0.0020576 k( 54) = ( 0.4416667 0.0000000 0.0000000), wk = 0.0020576 k( 55) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0020576 k( 56) = ( 0.4583333 0.0000000 0.0000000), wk = 0.0020576 k( 57) = ( 0.4666667 0.0000000 0.0000000), wk = 0.0020576 k( 58) = ( 0.4750000 0.0000000 -0.0000000), wk = 0.0020576 k( 59) = ( 0.4833333 0.0000000 0.0000000), wk = 0.0020576 k( 60) = ( 0.4916667 0.0000000 -0.0000000), wk = 0.0020576 k( 61) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0020576 k( 62) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0020576 k( 63) = ( 0.4952381 0.0095238 0.0000000), wk = 0.0020576 k( 64) = ( 0.4904762 0.0190476 -0.0000000), wk = 0.0020576 k( 65) = ( 0.4857143 0.0285714 -0.0000000), wk = 0.0020576 k( 66) = ( 0.4809524 0.0380952 -0.0000000), wk = 0.0020576 k( 67) = ( 0.4761905 0.0476191 -0.0000000), wk = 0.0020576 k( 68) = ( 0.4714286 0.0571429 0.0000000), wk = 0.0020576 k( 69) = ( 0.4666667 0.0666667 -0.0000000), wk = 0.0020576 k( 70) = ( 0.4619048 0.0761905 0.0000000), wk = 0.0020576 k( 71) = ( 0.4571429 0.0857143 -0.0000000), wk = 0.0020576 k( 72) = ( 0.4523810 0.0952381 -0.0000000), wk = 0.0020576 k( 73) = ( 0.4476191 0.1047619 -0.0000000), wk = 0.0020576 k( 74) = ( 0.4428571 0.1142857 0.0000000), wk = 0.0020576 k( 75) = ( 0.4380952 0.1238095 -0.0000000), wk = 0.0020576 k( 76) = ( 0.4333333 0.1333333 0.0000000), wk = 0.0020576 k( 77) = ( 0.4285714 0.1428571 0.0000000), wk = 0.0020576 k( 78) = ( 0.4238095 0.1523810 0.0000000), wk = 0.0020576 k( 79) = ( 0.4190476 0.1619048 -0.0000000), wk = 0.0020576 k( 80) = ( 0.4142857 0.1714286 0.0000000), wk = 0.0020576 k( 81) = ( 0.4095238 0.1809524 -0.0000000), wk = 0.0020576 k( 82) = ( 0.4047619 0.1904762 -0.0000000), wk = 0.0020576 k( 83) = ( 0.4000000 0.2000000 -0.0000000), wk = 0.0020576 k( 84) = ( 0.3952381 0.2095238 -0.0000000), wk = 0.0020576 k( 85) = ( 0.3904762 0.2190476 -0.0000000), wk = 0.0020576 k( 86) = ( 0.3857143 0.2285714 -0.0000000), wk = 0.0020576 k( 87) = ( 0.3809524 0.2380952 -0.0000000), wk = 0.0020576 k( 88) = ( 0.3761905 0.2476190 0.0000000), wk = 0.0020576 k( 89) = ( 0.3714286 0.2571429 -0.0000000), wk = 0.0020576 k( 90) = ( 0.3666667 0.2666667 0.0000000), wk = 0.0020576 k( 91) = ( 0.3619048 0.2761905 0.0000000), wk = 0.0020576 k( 92) = ( 0.3571429 0.2857143 0.0000000), wk = 0.0020576 k( 93) = ( 0.3523810 0.2952381 0.0000000), wk = 0.0020576 k( 94) = ( 0.3476190 0.3047619 -0.0000000), wk = 0.0020576 k( 95) = ( 0.3428571 0.3142857 0.0000000), wk = 0.0020576 k( 96) = ( 0.3380952 0.3238095 -0.0000000), wk = 0.0020576 k( 97) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0020576 k( 98) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0020576 k( 99) = ( 0.3285714 0.3285714 -0.0000000), wk = 0.0020576 k( 100) = ( 0.3238095 0.3238095 0.0000000), wk = 0.0020576 k( 101) = ( 0.3190476 0.3190476 -0.0000000), wk = 0.0020576 k( 102) = ( 0.3142857 0.3142857 0.0000000), wk = 0.0020576 k( 103) = ( 0.3095238 0.3095238 0.0000000), wk = 0.0020576 k( 104) = ( 0.3047619 0.3047619 -0.0000000), wk = 0.0020576 k( 105) = ( 0.3000000 0.3000000 -0.0000000), wk = 0.0020576 k( 106) = ( 0.2952381 0.2952381 -0.0000000), wk = 0.0020576 k( 107) = ( 0.2904762 0.2904762 -0.0000000), wk = 0.0020576 k( 108) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0020576 k( 109) = ( 0.2809524 0.2809524 -0.0000000), wk = 0.0020576 k( 110) = ( 0.2761905 0.2761905 -0.0000000), wk = 0.0020576 k( 111) = ( 0.2714286 0.2714286 0.0000000), wk = 0.0020576 k( 112) = ( 0.2666667 0.2666667 0.0000000), wk = 0.0020576 k( 113) = ( 0.2619048 0.2619048 -0.0000000), wk = 0.0020576 k( 114) = ( 0.2571429 0.2571429 -0.0000000), wk = 0.0020576 k( 115) = ( 0.2523809 0.2523809 0.0000000), wk = 0.0020576 k( 116) = ( 0.2476191 0.2476191 -0.0000000), wk = 0.0020576 k( 117) = ( 0.2428571 0.2428571 -0.0000000), wk = 0.0020576 k( 118) = ( 0.2380952 0.2380952 -0.0000000), wk = 0.0020576 k( 119) = ( 0.2333333 0.2333333 -0.0000000), wk = 0.0020576 k( 120) = ( 0.2285714 0.2285714 -0.0000000), wk = 0.0020576 k( 121) = ( 0.2238095 0.2238095 -0.0000000), wk = 0.0020576 k( 122) = ( 0.2190476 0.2190476 0.0000000), wk = 0.0020576 k( 123) = ( 0.2142857 0.2142857 0.0000000), wk = 0.0020576 k( 124) = ( 0.2095238 0.2095238 -0.0000000), wk = 0.0020576 k( 125) = ( 0.2047619 0.2047619 0.0000000), wk = 0.0020576 k( 126) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0020576 k( 127) = ( 0.1952381 0.1952381 -0.0000000), wk = 0.0020576 k( 128) = ( 0.1904762 0.1904762 -0.0000000), wk = 0.0020576 k( 129) = ( 0.1857143 0.1857143 0.0000000), wk = 0.0020576 k( 130) = ( 0.1809524 0.1809524 -0.0000000), wk = 0.0020576 k( 131) = ( 0.1761905 0.1761905 -0.0000000), wk = 0.0020576 k( 132) = ( 0.1714286 0.1714286 -0.0000000), wk = 0.0020576 k( 133) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0020576 k( 134) = ( 0.1619048 0.1619048 0.0000000), wk = 0.0020576 k( 135) = ( 0.1571429 0.1571429 0.0000000), wk = 0.0020576 k( 136) = ( 0.1523809 0.1523809 -0.0000000), wk = 0.0020576 k( 137) = ( 0.1476191 0.1476191 -0.0000000), wk = 0.0020576 k( 138) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0020576 k( 139) = ( 0.1380952 0.1380952 -0.0000000), wk = 0.0020576 k( 140) = ( 0.1333333 0.1333333 -0.0000000), wk = 0.0020576 k( 141) = ( 0.1285714 0.1285714 -0.0000000), wk = 0.0020576 k( 142) = ( 0.1238095 0.1238095 -0.0000000), wk = 0.0020576 k( 143) = ( 0.1190476 0.1190476 -0.0000000), wk = 0.0020576 k( 144) = ( 0.1142857 0.1142857 -0.0000000), wk = 0.0020576 k( 145) = ( 0.1095238 0.1095238 0.0000000), wk = 0.0020576 k( 146) = ( 0.1047619 0.1047619 -0.0000000), wk = 0.0020576 k( 147) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0020576 k( 148) = ( 0.0952381 0.0952381 -0.0000000), wk = 0.0020576 k( 149) = ( 0.0904762 0.0904762 -0.0000000), wk = 0.0020576 k( 150) = ( 0.0857143 0.0857143 -0.0000000), wk = 0.0020576 k( 151) = ( 0.0809524 0.0809524 0.0000000), wk = 0.0020576 k( 152) = ( 0.0761905 0.0761905 -0.0000000), wk = 0.0020576 k( 153) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0020576 k( 154) = ( 0.0666667 0.0666667 -0.0000000), wk = 0.0020576 k( 155) = ( 0.0619048 0.0619048 -0.0000000), wk = 0.0020576 k( 156) = ( 0.0571429 0.0571429 -0.0000000), wk = 0.0020576 k( 157) = ( 0.0523810 0.0523809 -0.0000000), wk = 0.0020576 k( 158) = ( 0.0476191 0.0476191 -0.0000000), wk = 0.0020576 k( 159) = ( 0.0428571 0.0428571 -0.0000000), wk = 0.0020576 k( 160) = ( 0.0380952 0.0380952 -0.0000000), wk = 0.0020576 k( 161) = ( 0.0333333 0.0333333 -0.0000000), wk = 0.0020576 k( 162) = ( 0.0285714 0.0285714 -0.0000000), wk = 0.0020576 k( 163) = ( 0.0238095 0.0238095 -0.0000000), wk = 0.0020576 k( 164) = ( 0.0190476 0.0190476 -0.0000000), wk = 0.0020576 k( 165) = ( 0.0142857 0.0142857 -0.0000000), wk = 0.0020576 k( 166) = ( 0.0095238 0.0095238 -0.0000000), wk = 0.0020576 k( 167) = ( 0.0047619 0.0047619 -0.0000000), wk = 0.0020576 k( 168) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020576 k( 169) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020576 k( 170) = ( 0.0000000 0.0000000 0.0102041), wk = 0.0020576 k( 171) = ( 0.0000000 0.0000000 0.0204082), wk = 0.0020576 k( 172) = ( 0.0000000 0.0000000 0.0306122), wk = 0.0020576 k( 173) = ( 0.0000000 0.0000000 0.0408163), wk = 0.0020576 k( 174) = ( 0.0000000 0.0000000 0.0510204), wk = 0.0020576 k( 175) = ( 0.0000000 0.0000000 0.0612245), wk = 0.0020576 k( 176) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0020576 k( 177) = ( 0.0000000 0.0000000 0.0816327), wk = 0.0020576 k( 178) = ( 0.0000000 0.0000000 0.0918367), wk = 0.0020576 k( 179) = ( 0.0000000 0.0000000 0.1020408), wk = 0.0020576 k( 180) = ( 0.0000000 0.0000000 0.1122449), wk = 0.0020576 k( 181) = ( 0.0000000 0.0000000 0.1224490), wk = 0.0020576 k( 182) = ( 0.0000000 0.0000000 0.1326531), wk = 0.0020576 k( 183) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0020576 k( 184) = ( 0.0000000 0.0000000 0.1530612), wk = 0.0020576 k( 185) = ( 0.0000000 0.0000000 0.1632653), wk = 0.0020576 k( 186) = ( 0.0000000 0.0000000 0.1734694), wk = 0.0020576 k( 187) = ( 0.0000000 0.0000000 0.1836735), wk = 0.0020576 k( 188) = ( 0.0000000 0.0000000 0.1938776), wk = 0.0020576 k( 189) = ( 0.0000000 0.0000000 0.2040816), wk = 0.0020576 k( 190) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0020576 k( 191) = ( 0.0000000 0.0000000 0.2244898), wk = 0.0020576 k( 192) = ( 0.0000000 0.0000000 0.2346939), wk = 0.0020576 k( 193) = ( 0.0000000 0.0000000 0.2448980), wk = 0.0020576 k( 194) = ( 0.0000000 0.0000000 0.2551020), wk = 0.0020576 k( 195) = ( 0.0000000 0.0000000 0.2653061), wk = 0.0020576 k( 196) = ( 0.0000000 0.0000000 0.2755102), wk = 0.0020576 k( 197) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0020576 k( 198) = ( 0.0000000 0.0000000 0.2959184), wk = 0.0020576 k( 199) = ( 0.0000000 0.0000000 0.3061224), wk = 0.0020576 k( 200) = ( 0.0000000 0.0000000 0.3163265), wk = 0.0020576 k( 201) = ( 0.0000000 0.0000000 0.3265306), wk = 0.0020576 k( 202) = ( 0.0000000 0.0000000 0.3367347), wk = 0.0020576 k( 203) = ( 0.0000000 0.0000000 0.3469388), wk = 0.0020576 k( 204) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0020576 k( 205) = ( 0.0000000 0.0000000 0.3673469), wk = 0.0020576 k( 206) = ( 0.0000000 0.0000000 0.3775510), wk = 0.0020576 k( 207) = ( 0.0000000 0.0000000 0.3877551), wk = 0.0020576 k( 208) = ( 0.0000000 0.0000000 0.3979592), wk = 0.0020576 k( 209) = ( 0.0000000 0.0000000 0.4081633), wk = 0.0020576 k( 210) = ( 0.0000000 0.0000000 0.4183674), wk = 0.0020576 k( 211) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0020576 k( 212) = ( 0.0000000 0.0000000 0.4387755), wk = 0.0020576 k( 213) = ( 0.0000000 0.0000000 0.4489796), wk = 0.0020576 k( 214) = ( 0.0000000 0.0000000 0.4591837), wk = 0.0020576 k( 215) = ( 0.0000000 0.0000000 0.4693878), wk = 0.0020576 k( 216) = ( 0.0000000 0.0000000 0.4795918), wk = 0.0020576 k( 217) = ( 0.0000000 0.0000000 0.4897959), wk = 0.0020576 k( 218) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020576 k( 219) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020576 k( 220) = ( 0.0083333 -0.0000000 0.5000000), wk = 0.0020576 k( 221) = ( 0.0166667 0.0000000 0.5000000), wk = 0.0020576 k( 222) = ( 0.0250000 0.0000000 0.5000000), wk = 0.0020576 k( 223) = ( 0.0333333 0.0000000 0.5000000), wk = 0.0020576 k( 224) = ( 0.0416667 -0.0000000 0.5000000), wk = 0.0020576 k( 225) = ( 0.0500000 0.0000000 0.5000000), wk = 0.0020576 k( 226) = ( 0.0583333 0.0000000 0.5000000), wk = 0.0020576 k( 227) = ( 0.0666667 0.0000000 0.5000000), wk = 0.0020576 k( 228) = ( 0.0750000 0.0000000 0.5000000), wk = 0.0020576 k( 229) = ( 0.0833333 0.0000000 0.5000000), wk = 0.0020576 k( 230) = ( 0.0916667 0.0000000 0.5000000), wk = 0.0020576 k( 231) = ( 0.1000000 0.0000000 0.5000000), wk = 0.0020576 k( 232) = ( 0.1083333 -0.0000000 0.5000000), wk = 0.0020576 k( 233) = ( 0.1166667 0.0000000 0.5000000), wk = 0.0020576 k( 234) = ( 0.1250000 0.0000000 0.5000000), wk = 0.0020576 k( 235) = ( 0.1333333 0.0000000 0.5000000), wk = 0.0020576 k( 236) = ( 0.1416667 0.0000000 0.5000000), wk = 0.0020576 k( 237) = ( 0.1500000 0.0000000 0.5000000), wk = 0.0020576 k( 238) = ( 0.1583333 0.0000000 0.5000000), wk = 0.0020576 k( 239) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0020576 k( 240) = ( 0.1750000 0.0000000 0.5000000), wk = 0.0020576 k( 241) = ( 0.1833333 0.0000000 0.5000000), wk = 0.0020576 k( 242) = ( 0.1916667 0.0000000 0.5000000), wk = 0.0020576 k( 243) = ( 0.2000000 0.0000000 0.5000000), wk = 0.0020576 k( 244) = ( 0.2083333 0.0000000 0.5000000), wk = 0.0020576 k( 245) = ( 0.2166667 0.0000000 0.5000000), wk = 0.0020576 k( 246) = ( 0.2250000 0.0000000 0.5000000), wk = 0.0020576 k( 247) = ( 0.2333333 0.0000000 0.5000000), wk = 0.0020576 k( 248) = ( 0.2416667 0.0000000 0.5000000), wk = 0.0020576 k( 249) = ( 0.2500000 0.0000000 0.5000000), wk = 0.0020576 k( 250) = ( 0.2583333 -0.0000000 0.5000000), wk = 0.0020576 k( 251) = ( 0.2666667 -0.0000000 0.5000000), wk = 0.0020576 k( 252) = ( 0.2750000 0.0000000 0.5000000), wk = 0.0020576 k( 253) = ( 0.2833333 0.0000000 0.5000000), wk = 0.0020576 k( 254) = ( 0.2916667 0.0000000 0.5000000), wk = 0.0020576 k( 255) = ( 0.3000000 0.0000000 0.5000000), wk = 0.0020576 k( 256) = ( 0.3083333 0.0000000 0.5000000), wk = 0.0020576 k( 257) = ( 0.3166667 0.0000000 0.5000000), wk = 0.0020576 k( 258) = ( 0.3250000 0.0000000 0.5000000), wk = 0.0020576 k( 259) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0020576 k( 260) = ( 0.3416667 -0.0000000 0.5000000), wk = 0.0020576 k( 261) = ( 0.3500000 0.0000000 0.5000000), wk = 0.0020576 k( 262) = ( 0.3583333 -0.0000000 0.5000000), wk = 0.0020576 k( 263) = ( 0.3666667 0.0000000 0.5000000), wk = 0.0020576 k( 264) = ( 0.3750000 0.0000000 0.5000000), wk = 0.0020576 k( 265) = ( 0.3833333 0.0000000 0.5000000), wk = 0.0020576 k( 266) = ( 0.3916667 0.0000000 0.5000000), wk = 0.0020576 k( 267) = ( 0.4000000 0.0000000 0.5000000), wk = 0.0020576 k( 268) = ( 0.4083333 0.0000000 0.5000000), wk = 0.0020576 k( 269) = ( 0.4166667 0.0000000 0.5000000), wk = 0.0020576 k( 270) = ( 0.4250000 0.0000000 0.5000000), wk = 0.0020576 k( 271) = ( 0.4333333 0.0000000 0.5000000), wk = 0.0020576 k( 272) = ( 0.4416667 0.0000000 0.5000000), wk = 0.0020576 k( 273) = ( 0.4500000 0.0000000 0.5000000), wk = 0.0020576 k( 274) = ( 0.4583333 0.0000000 0.5000000), wk = 0.0020576 k( 275) = ( 0.4666667 0.0000000 0.5000000), wk = 0.0020576 k( 276) = ( 0.4750000 0.0000000 0.5000000), wk = 0.0020576 k( 277) = ( 0.4833333 0.0000000 0.5000000), wk = 0.0020576 k( 278) = ( 0.4916667 0.0000000 0.5000000), wk = 0.0020576 k( 279) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020576 k( 280) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020576 k( 281) = ( 0.4952381 0.0095238 0.5000000), wk = 0.0020576 k( 282) = ( 0.4904762 0.0190476 0.5000000), wk = 0.0020576 k( 283) = ( 0.4857143 0.0285714 0.5000000), wk = 0.0020576 k( 284) = ( 0.4809524 0.0380952 0.5000000), wk = 0.0020576 k( 285) = ( 0.4761905 0.0476191 0.5000000), wk = 0.0020576 k( 286) = ( 0.4714286 0.0571429 0.5000000), wk = 0.0020576 k( 287) = ( 0.4666667 0.0666667 0.5000000), wk = 0.0020576 k( 288) = ( 0.4619048 0.0761905 0.5000000), wk = 0.0020576 k( 289) = ( 0.4571429 0.0857143 0.5000000), wk = 0.0020576 k( 290) = ( 0.4523810 0.0952381 0.5000000), wk = 0.0020576 k( 291) = ( 0.4476191 0.1047619 0.5000000), wk = 0.0020576 k( 292) = ( 0.4428571 0.1142857 0.5000000), wk = 0.0020576 k( 293) = ( 0.4380952 0.1238095 0.5000000), wk = 0.0020576 k( 294) = ( 0.4333333 0.1333333 0.5000000), wk = 0.0020576 k( 295) = ( 0.4285714 0.1428571 0.5000000), wk = 0.0020576 k( 296) = ( 0.4238095 0.1523810 0.5000000), wk = 0.0020576 k( 297) = ( 0.4190476 0.1619048 0.5000000), wk = 0.0020576 k( 298) = ( 0.4142857 0.1714286 0.5000000), wk = 0.0020576 k( 299) = ( 0.4095238 0.1809524 0.5000000), wk = 0.0020576 k( 300) = ( 0.4047619 0.1904762 0.5000000), wk = 0.0020576 k( 301) = ( 0.4000000 0.2000000 0.5000000), wk = 0.0020576 k( 302) = ( 0.3952381 0.2095238 0.5000000), wk = 0.0020576 k( 303) = ( 0.3904762 0.2190476 0.5000000), wk = 0.0020576 k( 304) = ( 0.3857143 0.2285714 0.5000000), wk = 0.0020576 k( 305) = ( 0.3809524 0.2380952 0.5000000), wk = 0.0020576 k( 306) = ( 0.3761905 0.2476190 0.5000000), wk = 0.0020576 k( 307) = ( 0.3714286 0.2571429 0.5000000), wk = 0.0020576 k( 308) = ( 0.3666667 0.2666667 0.5000000), wk = 0.0020576 k( 309) = ( 0.3619048 0.2761905 0.5000000), wk = 0.0020576 k( 310) = ( 0.3571429 0.2857143 0.5000000), wk = 0.0020576 k( 311) = ( 0.3523810 0.2952381 0.5000000), wk = 0.0020576 k( 312) = ( 0.3476190 0.3047619 0.5000000), wk = 0.0020576 k( 313) = ( 0.3428571 0.3142857 0.5000000), wk = 0.0020576 k( 314) = ( 0.3380952 0.3238095 0.5000000), wk = 0.0020576 k( 315) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020576 k( 316) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020576 k( 317) = ( 0.3285714 0.3285714 0.5000000), wk = 0.0020576 k( 318) = ( 0.3238095 0.3238095 0.5000000), wk = 0.0020576 k( 319) = ( 0.3190476 0.3190476 0.5000000), wk = 0.0020576 k( 320) = ( 0.3142857 0.3142857 0.5000000), wk = 0.0020576 k( 321) = ( 0.3095238 0.3095238 0.5000000), wk = 0.0020576 k( 322) = ( 0.3047619 0.3047619 0.5000000), wk = 0.0020576 k( 323) = ( 0.3000000 0.3000000 0.5000000), wk = 0.0020576 k( 324) = ( 0.2952381 0.2952381 0.5000000), wk = 0.0020576 k( 325) = ( 0.2904762 0.2904762 0.5000000), wk = 0.0020576 k( 326) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0020576 k( 327) = ( 0.2809524 0.2809524 0.5000000), wk = 0.0020576 k( 328) = ( 0.2761905 0.2761905 0.5000000), wk = 0.0020576 k( 329) = ( 0.2714286 0.2714286 0.5000000), wk = 0.0020576 k( 330) = ( 0.2666667 0.2666667 0.5000000), wk = 0.0020576 k( 331) = ( 0.2619048 0.2619048 0.5000000), wk = 0.0020576 k( 332) = ( 0.2571429 0.2571429 0.5000000), wk = 0.0020576 k( 333) = ( 0.2523809 0.2523809 0.5000000), wk = 0.0020576 k( 334) = ( 0.2476191 0.2476191 0.5000000), wk = 0.0020576 k( 335) = ( 0.2428571 0.2428571 0.5000000), wk = 0.0020576 k( 336) = ( 0.2380952 0.2380952 0.5000000), wk = 0.0020576 k( 337) = ( 0.2333333 0.2333333 0.5000000), wk = 0.0020576 k( 338) = ( 0.2285714 0.2285714 0.5000000), wk = 0.0020576 k( 339) = ( 0.2238095 0.2238095 0.5000000), wk = 0.0020576 k( 340) = ( 0.2190476 0.2190476 0.5000000), wk = 0.0020576 k( 341) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0020576 k( 342) = ( 0.2095238 0.2095238 0.5000000), wk = 0.0020576 k( 343) = ( 0.2047619 0.2047619 0.5000000), wk = 0.0020576 k( 344) = ( 0.2000000 0.2000000 0.5000000), wk = 0.0020576 k( 345) = ( 0.1952381 0.1952381 0.5000000), wk = 0.0020576 k( 346) = ( 0.1904762 0.1904762 0.5000000), wk = 0.0020576 k( 347) = ( 0.1857143 0.1857143 0.5000000), wk = 0.0020576 k( 348) = ( 0.1809524 0.1809524 0.5000000), wk = 0.0020576 k( 349) = ( 0.1761905 0.1761905 0.5000000), wk = 0.0020576 k( 350) = ( 0.1714286 0.1714286 0.5000000), wk = 0.0020576 k( 351) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0020576 k( 352) = ( 0.1619048 0.1619048 0.5000000), wk = 0.0020576 k( 353) = ( 0.1571429 0.1571429 0.5000000), wk = 0.0020576 k( 354) = ( 0.1523809 0.1523809 0.5000000), wk = 0.0020576 k( 355) = ( 0.1476191 0.1476191 0.5000000), wk = 0.0020576 k( 356) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0020576 k( 357) = ( 0.1380952 0.1380952 0.5000000), wk = 0.0020576 k( 358) = ( 0.1333333 0.1333333 0.5000000), wk = 0.0020576 k( 359) = ( 0.1285714 0.1285714 0.5000000), wk = 0.0020576 k( 360) = ( 0.1238095 0.1238095 0.5000000), wk = 0.0020576 k( 361) = ( 0.1190476 0.1190476 0.5000000), wk = 0.0020576 k( 362) = ( 0.1142857 0.1142857 0.5000000), wk = 0.0020576 k( 363) = ( 0.1095238 0.1095238 0.5000000), wk = 0.0020576 k( 364) = ( 0.1047619 0.1047619 0.5000000), wk = 0.0020576 k( 365) = ( 0.1000000 0.1000000 0.5000000), wk = 0.0020576 k( 366) = ( 0.0952381 0.0952381 0.5000000), wk = 0.0020576 k( 367) = ( 0.0904762 0.0904762 0.5000000), wk = 0.0020576 k( 368) = ( 0.0857143 0.0857143 0.5000000), wk = 0.0020576 k( 369) = ( 0.0809524 0.0809524 0.5000000), wk = 0.0020576 k( 370) = ( 0.0761905 0.0761905 0.5000000), wk = 0.0020576 k( 371) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0020576 k( 372) = ( 0.0666667 0.0666667 0.5000000), wk = 0.0020576 k( 373) = ( 0.0619048 0.0619048 0.5000000), wk = 0.0020576 k( 374) = ( 0.0571429 0.0571429 0.5000000), wk = 0.0020576 k( 375) = ( 0.0523810 0.0523809 0.5000000), wk = 0.0020576 k( 376) = ( 0.0476191 0.0476191 0.5000000), wk = 0.0020576 k( 377) = ( 0.0428571 0.0428571 0.5000000), wk = 0.0020576 k( 378) = ( 0.0380952 0.0380952 0.5000000), wk = 0.0020576 k( 379) = ( 0.0333333 0.0333333 0.5000000), wk = 0.0020576 k( 380) = ( 0.0285714 0.0285714 0.5000000), wk = 0.0020576 k( 381) = ( 0.0238095 0.0238095 0.5000000), wk = 0.0020576 k( 382) = ( 0.0190476 0.0190476 0.5000000), wk = 0.0020576 k( 383) = ( 0.0142857 0.0142857 0.5000000), wk = 0.0020576 k( 384) = ( 0.0095238 0.0095238 0.5000000), wk = 0.0020576 k( 385) = ( 0.0047619 0.0047619 0.5000000), wk = 0.0020576 k( 386) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020576 k( 387) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020576 k( 388) = ( 0.5000000 0.0000000 0.4897959), wk = 0.0020576 k( 389) = ( 0.5000000 0.0000000 0.4795918), wk = 0.0020576 k( 390) = ( 0.5000000 0.0000000 0.4693878), wk = 0.0020576 k( 391) = ( 0.5000000 0.0000000 0.4591837), wk = 0.0020576 k( 392) = ( 0.5000000 0.0000000 0.4489796), wk = 0.0020576 k( 393) = ( 0.5000000 0.0000000 0.4387755), wk = 0.0020576 k( 394) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0020576 k( 395) = ( 0.5000000 0.0000000 0.4183674), wk = 0.0020576 k( 396) = ( 0.5000000 0.0000000 0.4081633), wk = 0.0020576 k( 397) = ( 0.5000000 0.0000000 0.3979592), wk = 0.0020576 k( 398) = ( 0.5000000 0.0000000 0.3877551), wk = 0.0020576 k( 399) = ( 0.5000000 0.0000000 0.3775510), wk = 0.0020576 k( 400) = ( 0.5000000 0.0000000 0.3673469), wk = 0.0020576 k( 401) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0020576 k( 402) = ( 0.5000000 0.0000000 0.3469388), wk = 0.0020576 k( 403) = ( 0.5000000 0.0000000 0.3367347), wk = 0.0020576 k( 404) = ( 0.5000000 0.0000000 0.3265306), wk = 0.0020576 k( 405) = ( 0.5000000 0.0000000 0.3163265), wk = 0.0020576 k( 406) = ( 0.5000000 0.0000000 0.3061224), wk = 0.0020576 k( 407) = ( 0.5000000 0.0000000 0.2959184), wk = 0.0020576 k( 408) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0020576 k( 409) = ( 0.5000000 0.0000000 0.2755102), wk = 0.0020576 k( 410) = ( 0.5000000 0.0000000 0.2653061), wk = 0.0020576 k( 411) = ( 0.5000000 0.0000000 0.2551020), wk = 0.0020576 k( 412) = ( 0.5000000 0.0000000 0.2448980), wk = 0.0020576 k( 413) = ( 0.5000000 0.0000000 0.2346939), wk = 0.0020576 k( 414) = ( 0.5000000 0.0000000 0.2244898), wk = 0.0020576 k( 415) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0020576 k( 416) = ( 0.5000000 0.0000000 0.2040816), wk = 0.0020576 k( 417) = ( 0.5000000 0.0000000 0.1938776), wk = 0.0020576 k( 418) = ( 0.5000000 0.0000000 0.1836735), wk = 0.0020576 k( 419) = ( 0.5000000 0.0000000 0.1734694), wk = 0.0020576 k( 420) = ( 0.5000000 0.0000000 0.1632653), wk = 0.0020576 k( 421) = ( 0.5000000 0.0000000 0.1530612), wk = 0.0020576 k( 422) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0020576 k( 423) = ( 0.5000000 0.0000000 0.1326531), wk = 0.0020576 k( 424) = ( 0.5000000 0.0000000 0.1224490), wk = 0.0020576 k( 425) = ( 0.5000000 0.0000000 0.1122449), wk = 0.0020576 k( 426) = ( 0.5000000 0.0000000 0.1020408), wk = 0.0020576 k( 427) = ( 0.5000000 0.0000000 0.0918367), wk = 0.0020576 k( 428) = ( 0.5000000 0.0000000 0.0816327), wk = 0.0020576 k( 429) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0020576 k( 430) = ( 0.5000000 0.0000000 0.0612245), wk = 0.0020576 k( 431) = ( 0.5000000 0.0000000 0.0510204), wk = 0.0020576 k( 432) = ( 0.5000000 0.0000000 0.0408163), wk = 0.0020576 k( 433) = ( 0.5000000 0.0000000 0.0306122), wk = 0.0020576 k( 434) = ( 0.5000000 0.0000000 0.0204082), wk = 0.0020576 k( 435) = ( 0.5000000 0.0000000 0.0102041), wk = 0.0020576 k( 436) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0020576 k( 437) = ( 0.3333333 0.3333333 0.0000000), wk = 0.0020576 k( 438) = ( 0.3333333 0.3333333 0.0102041), wk = 0.0020576 k( 439) = ( 0.3333333 0.3333333 0.0204082), wk = 0.0020576 k( 440) = ( 0.3333333 0.3333333 0.0306122), wk = 0.0020576 k( 441) = ( 0.3333333 0.3333333 0.0408163), wk = 0.0020576 k( 442) = ( 0.3333333 0.3333333 0.0510204), wk = 0.0020576 k( 443) = ( 0.3333333 0.3333333 0.0612245), wk = 0.0020576 k( 444) = ( 0.3333333 0.3333333 0.0714286), wk = 0.0020576 k( 445) = ( 0.3333333 0.3333333 0.0816327), wk = 0.0020576 k( 446) = ( 0.3333333 0.3333333 0.0918367), wk = 0.0020576 k( 447) = ( 0.3333333 0.3333333 0.1020408), wk = 0.0020576 k( 448) = ( 0.3333333 0.3333333 0.1122449), wk = 0.0020576 k( 449) = ( 0.3333333 0.3333333 0.1224490), wk = 0.0020576 k( 450) = ( 0.3333333 0.3333333 0.1326531), wk = 0.0020576 k( 451) = ( 0.3333333 0.3333333 0.1428571), wk = 0.0020576 k( 452) = ( 0.3333333 0.3333333 0.1530612), wk = 0.0020576 k( 453) = ( 0.3333333 0.3333333 0.1632653), wk = 0.0020576 k( 454) = ( 0.3333333 0.3333333 0.1734694), wk = 0.0020576 k( 455) = ( 0.3333333 0.3333333 0.1836735), wk = 0.0020576 k( 456) = ( 0.3333333 0.3333333 0.1938776), wk = 0.0020576 k( 457) = ( 0.3333333 0.3333333 0.2040816), wk = 0.0020576 k( 458) = ( 0.3333333 0.3333333 0.2142857), wk = 0.0020576 k( 459) = ( 0.3333333 0.3333333 0.2244898), wk = 0.0020576 k( 460) = ( 0.3333333 0.3333333 0.2346939), wk = 0.0020576 k( 461) = ( 0.3333333 0.3333333 0.2448980), wk = 0.0020576 k( 462) = ( 0.3333333 0.3333333 0.2551020), wk = 0.0020576 k( 463) = ( 0.3333333 0.3333333 0.2653061), wk = 0.0020576 k( 464) = ( 0.3333333 0.3333333 0.2755102), wk = 0.0020576 k( 465) = ( 0.3333333 0.3333333 0.2857143), wk = 0.0020576 k( 466) = ( 0.3333333 0.3333333 0.2959184), wk = 0.0020576 k( 467) = ( 0.3333333 0.3333333 0.3061224), wk = 0.0020576 k( 468) = ( 0.3333333 0.3333333 0.3163265), wk = 0.0020576 k( 469) = ( 0.3333333 0.3333333 0.3265306), wk = 0.0020576 k( 470) = ( 0.3333333 0.3333333 0.3367347), wk = 0.0020576 k( 471) = ( 0.3333333 0.3333333 0.3469388), wk = 0.0020576 k( 472) = ( 0.3333333 0.3333333 0.3571429), wk = 0.0020576 k( 473) = ( 0.3333333 0.3333333 0.3673469), wk = 0.0020576 k( 474) = ( 0.3333333 0.3333333 0.3775510), wk = 0.0020576 k( 475) = ( 0.3333333 0.3333333 0.3877551), wk = 0.0020576 k( 476) = ( 0.3333333 0.3333333 0.3979592), wk = 0.0020576 k( 477) = ( 0.3333333 0.3333333 0.4081633), wk = 0.0020576 k( 478) = ( 0.3333333 0.3333333 0.4183674), wk = 0.0020576 k( 479) = ( 0.3333333 0.3333333 0.4285714), wk = 0.0020576 k( 480) = ( 0.3333333 0.3333333 0.4387755), wk = 0.0020576 k( 481) = ( 0.3333333 0.3333333 0.4489796), wk = 0.0020576 k( 482) = ( 0.3333333 0.3333333 0.4591837), wk = 0.0020576 k( 483) = ( 0.3333333 0.3333333 0.4693878), wk = 0.0020576 k( 484) = ( 0.3333333 0.3333333 0.4795918), wk = 0.0020576 k( 485) = ( 0.3333333 0.3333333 0.4897959), wk = 0.0020576 k( 486) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0020576 Dense grid: 17147 G-vectors FFT dimensions: ( 36, 36, 36) Smooth grid: 16847 G-vectors FFT dimensions: ( 36, 36, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 128, 26) NL pseudopotentials 0.05 Mb ( 64, 48) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 479) G-vector shells 0.00 Mb ( 237) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.20 Mb ( 128, 104) Each subspace H/S matrix 0.01 Mb ( 26, 26) Each matrix 0.04 Mb ( 48, 2, 26) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./TiO.save/charge-density.dat Starting wfc are 8 randomized atomic wfcs + 18 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 1.6 secs Computing kpt #: 3 total cpu time spent up to now is 1.8 secs Computing kpt #: 4 total cpu time spent up to now is 2.1 secs Computing kpt #: 5 total cpu time spent up to now is 2.4 secs Computing kpt #: 6 total cpu time spent up to now is 2.7 secs Computing kpt #: 7 total cpu time spent up to now is 3.0 secs Computing kpt #: 8 total cpu time spent up to now is 3.3 secs Computing kpt #: 9 total cpu time spent up to now is 3.6 secs Computing kpt #: 10 total cpu time spent up to now is 3.8 secs Computing kpt #: 11 total cpu time spent up to now is 4.2 secs Computing kpt #: 12 total cpu time spent up to now is 4.6 secs Computing kpt #: 13 total cpu time spent up to now is 4.8 secs Computing kpt #: 14 total cpu time spent up to now is 5.1 secs Computing kpt #: 15 total cpu time spent up to now is 5.4 secs Computing kpt #: 16 total cpu time spent up to now is 5.7 secs Computing kpt #: 17 total cpu time spent up to now is 6.1 secs Computing kpt #: 18 total cpu time spent up to now is 6.3 secs Computing kpt #: 19 total cpu time spent up to now is 7.2 secs Computing kpt #: 20 total cpu time spent up to now is 7.6 secs Computing kpt #: 21 total cpu time spent up to now is 7.9 secs Computing kpt #: 22 total cpu time spent up to now is 8.2 secs Computing kpt #: 23 total cpu time spent up to now is 8.4 secs Computing kpt #: 24 total cpu time spent up to now is 8.7 secs Computing kpt #: 25 total cpu time spent up to now is 9.0 secs Computing kpt #: 26 total cpu time spent up to now is 9.2 secs Computing kpt #: 27 total cpu time spent up to now is 9.5 secs Computing kpt #: 28 total cpu time spent up to now is 9.7 secs Computing kpt #: 29 total cpu time spent up to now is 10.0 secs Computing kpt #: 30 total cpu time spent up to now is 10.2 secs Computing kpt #: 31 total cpu time spent up to now is 10.5 secs Computing kpt #: 32 total cpu time spent up to now is 10.7 secs Computing kpt #: 33 total cpu time spent up to now is 11.0 secs Computing kpt #: 34 total cpu time spent up to now is 11.2 secs Computing kpt #: 35 total cpu time spent up to now is 11.5 secs Computing kpt #: 36 total cpu time spent up to now is 11.7 secs Computing kpt #: 37 total cpu time spent up to now is 12.0 secs Computing kpt #: 38 total cpu time spent up to now is 12.2 secs Computing kpt #: 39 total cpu time spent up to now is 12.4 secs Computing kpt #: 40 total cpu time spent up to now is 12.7 secs Computing kpt #: 41 total cpu time spent up to now is 12.9 secs Computing kpt #: 42 total cpu time spent up to now is 13.1 secs Computing kpt #: 43 total cpu time spent up to now is 13.4 secs Computing kpt #: 44 total cpu time spent up to now is 13.6 secs Computing kpt #: 45 total cpu time spent up to now is 13.9 secs Computing kpt #: 46 total cpu time spent up to now is 14.1 secs Computing kpt #: 47 total cpu time spent up to now is 14.3 secs Computing kpt #: 48 total cpu time spent up to now is 14.6 secs Computing kpt #: 49 total cpu time spent up to now is 14.8 secs Computing kpt #: 50 total cpu time spent up to now is 15.0 secs Computing kpt #: 51 total cpu time spent up to now is 15.2 secs Computing kpt #: 52 total cpu time spent up to now is 15.5 secs Computing kpt #: 53 total cpu time spent up to now is 15.7 secs Computing kpt #: 54 total cpu time spent up to now is 15.9 secs Computing kpt #: 55 total cpu time spent up to now is 16.2 secs Computing kpt #: 56 total cpu time spent up to now is 16.4 secs Computing kpt #: 57 total cpu time spent up to now is 16.6 secs Computing kpt #: 58 total cpu time spent up to now is 16.8 secs Computing kpt #: 59 total cpu time spent up to now is 17.1 secs Computing kpt #: 60 total cpu time spent up to now is 17.3 secs Computing kpt #: 61 total cpu time spent up to now is 17.6 secs Computing kpt #: 62 total cpu time spent up to now is 17.8 secs Computing kpt #: 63 total cpu time spent up to now is 18.1 secs Computing kpt #: 64 total cpu time spent up to now is 18.3 secs Computing kpt #: 65 total cpu time spent up to now is 18.6 secs Computing kpt #: 66 total cpu time spent up to now is 18.8 secs Computing kpt #: 67 total cpu time spent up to now is 19.0 secs Computing kpt #: 68 total cpu time spent up to now is 19.3 secs Computing kpt #: 69 total cpu time spent up to now is 19.5 secs Computing kpt #: 70 total cpu time spent up to now is 19.7 secs Computing kpt #: 71 total cpu time spent up to now is 20.0 secs Computing kpt #: 72 total cpu time spent up to now is 20.2 secs Computing kpt #: 73 total cpu time spent up to now is 20.4 secs Computing kpt #: 74 total cpu time spent up to now is 20.6 secs Computing kpt #: 75 total cpu time spent up to now is 20.9 secs Computing kpt #: 76 total cpu time spent up to now is 21.1 secs Computing kpt #: 77 total cpu time spent up to now is 21.3 secs Computing kpt #: 78 total cpu time spent up to now is 21.6 secs Computing kpt #: 79 total cpu time spent up to now is 21.8 secs Computing kpt #: 80 total cpu time spent up to now is 22.0 secs Computing kpt #: 81 total cpu time spent up to now is 22.3 secs Computing kpt #: 82 total cpu time spent up to now is 22.5 secs Computing kpt #: 83 total cpu time spent up to now is 22.7 secs Computing kpt #: 84 total cpu time spent up to now is 23.0 secs Computing kpt #: 85 total cpu time spent up to now is 23.2 secs Computing kpt #: 86 total cpu time spent up to now is 23.4 secs Computing kpt #: 87 total cpu time spent up to now is 23.7 secs Computing kpt #: 88 total cpu time spent up to now is 23.9 secs Computing kpt #: 89 total cpu time spent up to now is 24.1 secs Computing kpt #: 90 total cpu time spent up to now is 24.3 secs Computing kpt #: 91 total cpu time spent up to now is 24.6 secs Computing kpt #: 92 total cpu time spent up to now is 24.8 secs Computing kpt #: 93 total cpu time spent up to now is 25.0 secs Computing kpt #: 94 total cpu time spent up to now is 25.2 secs Computing kpt #: 95 total cpu time spent up to now is 25.5 secs Computing kpt #: 96 total cpu time spent up to now is 25.7 secs Computing kpt #: 97 total cpu time spent up to now is 25.9 secs Computing kpt #: 98 total cpu time spent up to now is 26.1 secs Computing kpt #: 99 total cpu time spent up to now is 26.4 secs Computing kpt #: 100 total cpu time spent up to now is 26.6 secs Computing kpt #: 101 total cpu time spent up to now is 26.8 secs Computing kpt #: 102 total cpu time spent up to now is 27.1 secs Computing kpt #: 103 total cpu time spent up to now is 27.3 secs Computing kpt #: 104 total cpu time spent up to now is 27.8 secs Computing kpt #: 105 total cpu time spent up to now is 28.0 secs Computing kpt #: 106 total cpu time spent up to now is 28.3 secs Computing kpt #: 107 total cpu time spent up to now is 28.5 secs Computing kpt #: 108 total cpu time spent up to now is 28.7 secs Computing kpt #: 109 total cpu time spent up to now is 29.0 secs Computing kpt #: 110 total cpu time spent up to now is 29.2 secs Computing kpt #: 111 total cpu time spent up to now is 29.5 secs Computing kpt #: 112 total cpu time spent up to now is 29.7 secs Computing kpt #: 113 total cpu time spent up to now is 29.9 secs Computing kpt #: 114 total cpu time spent up to now is 30.2 secs Computing kpt #: 115 total cpu time spent up to now is 30.4 secs Computing kpt #: 116 total cpu time spent up to now is 30.6 secs Computing kpt #: 117 total cpu time spent up to now is 30.9 secs Computing kpt #: 118 total cpu time spent up to now is 31.1 secs Computing kpt #: 119 total cpu time spent up to now is 31.3 secs Computing kpt #: 120 total cpu time spent up to now is 31.6 secs Computing kpt #: 121 total cpu time spent up to now is 31.8 secs Computing kpt #: 122 total cpu time spent up to now is 32.0 secs Computing kpt #: 123 total cpu time spent up to now is 32.3 secs Computing kpt #: 124 total cpu time spent up to now is 32.5 secs Computing kpt #: 125 total cpu time spent up to now is 32.8 secs Computing kpt #: 126 total cpu time spent up to now is 33.0 secs Computing kpt #: 127 total cpu time spent up to now is 33.2 secs Computing kpt #: 128 total cpu time spent up to now is 33.5 secs Computing kpt #: 129 total cpu time spent up to now is 33.7 secs Computing kpt #: 130 total cpu time spent up to now is 34.0 secs Computing kpt #: 131 total cpu time spent up to now is 34.2 secs Computing kpt #: 132 total cpu time spent up to now is 34.5 secs Computing kpt #: 133 total cpu time spent up to now is 34.7 secs Computing kpt #: 134 total cpu time spent up to now is 34.9 secs Computing kpt #: 135 total cpu time spent up to now is 35.2 secs Computing kpt #: 136 total cpu time spent up to now is 35.4 secs Computing kpt #: 137 total cpu time spent up to now is 35.6 secs Computing kpt #: 138 total cpu time spent up to now is 35.9 secs Computing kpt #: 139 total cpu time spent up to now is 36.2 secs Computing kpt #: 140 total cpu time spent up to now is 36.4 secs Computing kpt #: 141 total cpu time spent up to now is 36.7 secs Computing kpt #: 142 total cpu time spent up to now is 37.0 secs Computing kpt #: 143 total cpu time spent up to now is 37.2 secs Computing kpt #: 144 total cpu time spent up to now is 37.5 secs Computing kpt #: 145 total cpu time spent up to now is 37.7 secs Computing kpt #: 146 total cpu time spent up to now is 38.0 secs Computing kpt #: 147 total cpu time spent up to now is 38.3 secs Computing kpt #: 148 total cpu time spent up to now is 38.6 secs Computing kpt #: 149 total cpu time spent up to now is 39.0 secs Computing kpt #: 150 total cpu time spent up to now is 39.4 secs Computing kpt #: 151 total cpu time spent up to now is 39.6 secs Computing kpt #: 152 total cpu time spent up to now is 40.0 secs Computing kpt #: 153 total cpu time spent up to now is 40.3 secs Computing kpt #: 154 total cpu time spent up to now is 40.6 secs Computing kpt #: 155 total cpu time spent up to now is 41.0 secs Computing kpt #: 156 total cpu time spent up to now is 41.2 secs Computing kpt #: 157 total cpu time spent up to now is 41.6 secs Computing kpt #: 158 total cpu time spent up to now is 42.0 secs Computing kpt #: 159 total cpu time spent up to now is 42.3 secs Computing kpt #: 160 total cpu time spent up to now is 42.6 secs Computing kpt #: 161 total cpu time spent up to now is 42.9 secs Computing kpt #: 162 total cpu time spent up to now is 43.3 secs Computing kpt #: 163 total cpu time spent up to now is 43.6 secs Computing kpt #: 164 total cpu time spent up to now is 43.8 secs Computing kpt #: 165 total cpu time spent up to now is 44.2 secs Computing kpt #: 166 total cpu time spent up to now is 44.6 secs Computing kpt #: 167 total cpu time spent up to now is 44.9 secs Computing kpt #: 168 total cpu time spent up to now is 45.3 secs Computing kpt #: 169 total cpu time spent up to now is 45.5 secs Computing kpt #: 170 total cpu time spent up to now is 45.9 secs Computing kpt #: 171 total cpu time spent up to now is 46.1 secs Computing kpt #: 172 total cpu time spent up to now is 46.4 secs Computing kpt #: 173 total cpu time spent up to now is 46.7 secs Computing kpt #: 174 total cpu time spent up to now is 47.0 secs Computing kpt #: 175 total cpu time spent up to now is 47.4 secs Computing kpt #: 176 total cpu time spent up to now is 47.8 secs Computing kpt #: 177 total cpu time spent up to now is 48.1 secs Computing kpt #: 178 total cpu time spent up to now is 48.4 secs Computing kpt #: 179 total cpu time spent up to now is 48.7 secs Computing kpt #: 180 total cpu time spent up to now is 49.0 secs Computing kpt #: 181 total cpu time spent up to now is 49.3 secs Computing kpt #: 182 total cpu time spent up to now is 49.5 secs Computing kpt #: 183 total cpu time spent up to now is 49.8 secs Computing kpt #: 184 total cpu time spent up to now is 50.0 secs Computing kpt #: 185 total cpu time spent up to now is 50.3 secs Computing kpt #: 186 total cpu time spent up to now is 50.5 secs Computing kpt #: 187 total cpu time spent up to now is 50.8 secs Computing kpt #: 188 total cpu time spent up to now is 51.1 secs Computing kpt #: 189 total cpu time spent up to now is 51.3 secs Computing kpt #: 190 total cpu time spent up to now is 51.6 secs Computing kpt #: 191 total cpu time spent up to now is 51.8 secs Computing kpt #: 192 total cpu time spent up to now is 52.1 secs Computing kpt #: 193 total cpu time spent up to now is 52.4 secs Computing kpt #: 194 total cpu time spent up to now is 52.6 secs Computing kpt #: 195 total cpu time spent up to now is 52.8 secs Computing kpt #: 196 total cpu time spent up to now is 53.1 secs Computing kpt #: 197 total cpu time spent up to now is 53.3 secs Computing kpt #: 198 total cpu time spent up to now is 53.6 secs Computing kpt #: 199 total cpu time spent up to now is 53.8 secs Computing kpt #: 200 total cpu time spent up to now is 54.0 secs Computing kpt #: 201 total cpu time spent up to now is 54.3 secs Computing kpt #: 202 total cpu time spent up to now is 54.5 secs Computing kpt #: 203 total cpu time spent up to now is 54.8 secs Computing kpt #: 204 total cpu time spent up to now is 55.0 secs Computing kpt #: 205 total cpu time spent up to now is 55.2 secs Computing kpt #: 206 total cpu time spent up to now is 55.5 secs Computing kpt #: 207 total cpu time spent up to now is 55.7 secs Computing kpt #: 208 total cpu time spent up to now is 56.0 secs Computing kpt #: 209 total cpu time spent up to now is 56.2 secs Computing kpt #: 210 total cpu time spent up to now is 56.4 secs Computing kpt #: 211 total cpu time spent up to now is 56.7 secs Computing kpt #: 212 total cpu time spent up to now is 56.9 secs Computing kpt #: 213 total cpu time spent up to now is 57.2 secs Computing kpt #: 214 total cpu time spent up to now is 57.4 secs Computing kpt #: 215 total cpu time spent up to now is 57.6 secs Computing kpt #: 216 total cpu time spent up to now is 57.9 secs Computing kpt #: 217 total cpu time spent up to now is 58.1 secs Computing kpt #: 218 total cpu time spent up to now is 58.3 secs Computing kpt #: 219 total cpu time spent up to now is 58.6 secs Computing kpt #: 220 total cpu time spent up to now is 58.8 secs Computing kpt #: 221 total cpu time spent up to now is 59.0 secs Computing kpt #: 222 total cpu time spent up to now is 59.3 secs Computing kpt #: 223 total cpu time spent up to now is 59.5 secs Computing kpt #: 224 total cpu time spent up to now is 59.7 secs Computing kpt #: 225 total cpu time spent up to now is 60.0 secs Computing kpt #: 226 total cpu time spent up to now is 60.2 secs Computing kpt #: 227 total cpu time spent up to now is 60.5 secs Computing kpt #: 228 total cpu time spent up to now is 60.7 secs Computing kpt #: 229 total cpu time spent up to now is 60.9 secs Computing kpt #: 230 total cpu time spent up to now is 61.2 secs Computing kpt #: 231 total cpu time spent up to now is 61.4 secs Computing kpt #: 232 total cpu time spent up to now is 61.6 secs Computing kpt #: 233 total cpu time spent up to now is 61.9 secs Computing kpt #: 234 total cpu time spent up to now is 62.1 secs Computing kpt #: 235 total cpu time spent up to now is 62.3 secs Computing kpt #: 236 total cpu time spent up to now is 62.6 secs Computing kpt #: 237 total cpu time spent up to now is 62.8 secs Computing kpt #: 238 total cpu time spent up to now is 63.0 secs Computing kpt #: 239 total cpu time spent up to now is 63.3 secs Computing kpt #: 240 total cpu time spent up to now is 63.5 secs Computing kpt #: 241 total cpu time spent up to now is 63.7 secs Computing kpt #: 242 total cpu time spent up to now is 64.0 secs Computing kpt #: 243 total cpu time spent up to now is 64.2 secs Computing kpt #: 244 total cpu time spent up to now is 64.4 secs Computing kpt #: 245 total cpu time spent up to now is 64.7 secs Computing kpt #: 246 total cpu time spent up to now is 64.9 secs Computing kpt #: 247 total cpu time spent up to now is 65.1 secs Computing kpt #: 248 total cpu time spent up to now is 65.4 secs Computing kpt #: 249 total cpu time spent up to now is 65.6 secs Computing kpt #: 250 total cpu time spent up to now is 65.8 secs Computing kpt #: 251 total cpu time spent up to now is 66.1 secs Computing kpt #: 252 total cpu time spent up to now is 66.3 secs Computing kpt #: 253 total cpu time spent up to now is 66.5 secs Computing kpt #: 254 total cpu time spent up to now is 66.7 secs Computing kpt #: 255 total cpu time spent up to now is 67.0 secs Computing kpt #: 256 total cpu time spent up to now is 67.2 secs Computing kpt #: 257 total cpu time spent up to now is 67.4 secs Computing kpt #: 258 total cpu time spent up to now is 67.6 secs Computing kpt #: 259 total cpu time spent up to now is 67.9 secs Computing kpt #: 260 total cpu time spent up to now is 68.1 secs Computing kpt #: 261 total cpu time spent up to now is 68.4 secs Computing kpt #: 262 total cpu time spent up to now is 68.6 secs Computing kpt #: 263 total cpu time spent up to now is 68.8 secs Computing kpt #: 264 total cpu time spent up to now is 69.1 secs Computing kpt #: 265 total cpu time spent up to now is 69.3 secs Computing kpt #: 266 total cpu time spent up to now is 69.6 secs Computing kpt #: 267 total cpu time spent up to now is 69.8 secs Computing kpt #: 268 total cpu time spent up to now is 70.0 secs Computing kpt #: 269 total cpu time spent up to now is 70.3 secs Computing kpt #: 270 total cpu time spent up to now is 70.5 secs Computing kpt #: 271 total cpu time spent up to now is 70.8 secs Computing kpt #: 272 total cpu time spent up to now is 71.0 secs Computing kpt #: 273 total cpu time spent up to now is 71.2 secs Computing kpt #: 274 total cpu time spent up to now is 71.5 secs Computing kpt #: 275 total cpu time spent up to now is 71.7 secs Computing kpt #: 276 total cpu time spent up to now is 72.0 secs Computing kpt #: 277 total cpu time spent up to now is 72.2 secs Computing kpt #: 278 total cpu time spent up to now is 72.5 secs Computing kpt #: 279 total cpu time spent up to now is 72.7 secs Computing kpt #: 280 total cpu time spent up to now is 73.0 secs Computing kpt #: 281 total cpu time spent up to now is 73.2 secs Computing kpt #: 282 total cpu time spent up to now is 73.4 secs Computing kpt #: 283 total cpu time spent up to now is 73.7 secs Computing kpt #: 284 total cpu time spent up to now is 73.9 secs Computing kpt #: 285 total cpu time spent up to now is 74.2 secs Computing kpt #: 286 total cpu time spent up to now is 74.4 secs Computing kpt #: 287 total cpu time spent up to now is 74.7 secs Computing kpt #: 288 total cpu time spent up to now is 74.9 secs Computing kpt #: 289 total cpu time spent up to now is 75.1 secs Computing kpt #: 290 total cpu time spent up to now is 75.4 secs Computing kpt #: 291 total cpu time spent up to now is 75.6 secs Computing kpt #: 292 total cpu time spent up to now is 75.9 secs Computing kpt #: 293 total cpu time spent up to now is 76.1 secs Computing kpt #: 294 total cpu time spent up to now is 76.3 secs Computing kpt #: 295 total cpu time spent up to now is 76.6 secs Computing kpt #: 296 total cpu time spent up to now is 76.8 secs Computing kpt #: 297 total cpu time spent up to now is 77.1 secs Computing kpt #: 298 total cpu time spent up to now is 77.3 secs Computing kpt #: 299 total cpu time spent up to now is 77.5 secs Computing kpt #: 300 total cpu time spent up to now is 77.8 secs Computing kpt #: 301 total cpu time spent up to now is 78.0 secs Computing kpt #: 302 total cpu time spent up to now is 78.2 secs Computing kpt #: 303 total cpu time spent up to now is 78.5 secs Computing kpt #: 304 total cpu time spent up to now is 78.7 secs Computing kpt #: 305 total cpu time spent up to now is 79.0 secs Computing kpt #: 306 total cpu time spent up to now is 79.2 secs Computing kpt #: 307 total cpu time spent up to now is 79.4 secs Computing kpt #: 308 total cpu time spent up to now is 79.6 secs Computing kpt #: 309 total cpu time spent up to now is 79.9 secs Computing kpt #: 310 total cpu time spent up to now is 80.1 secs Computing kpt #: 311 total cpu time spent up to now is 80.3 secs Computing kpt #: 312 total cpu time spent up to now is 80.6 secs Computing kpt #: 313 total cpu time spent up to now is 80.8 secs Computing kpt #: 314 total cpu time spent up to now is 81.0 secs Computing kpt #: 315 total cpu time spent up to now is 81.3 secs Computing kpt #: 316 total cpu time spent up to now is 81.5 secs Computing kpt #: 317 total cpu time spent up to now is 81.8 secs Computing kpt #: 318 total cpu time spent up to now is 82.0 secs Computing kpt #: 319 total cpu time spent up to now is 82.2 secs Computing kpt #: 320 total cpu time spent up to now is 82.4 secs Computing kpt #: 321 total cpu time spent up to now is 82.7 secs Computing kpt #: 322 total cpu time spent up to now is 82.9 secs Computing kpt #: 323 total cpu time spent up to now is 83.1 secs Computing kpt #: 324 total cpu time spent up to now is 83.4 secs Computing kpt #: 325 total cpu time spent up to now is 83.6 secs Computing kpt #: 326 total cpu time spent up to now is 83.8 secs Computing kpt #: 327 total cpu time spent up to now is 84.1 secs Computing kpt #: 328 total cpu time spent up to now is 84.3 secs Computing kpt #: 329 total cpu time spent up to now is 84.5 secs Computing kpt #: 330 total cpu time spent up to now is 84.8 secs Computing kpt #: 331 total cpu time spent up to now is 85.0 secs Computing kpt #: 332 total cpu time spent up to now is 85.3 secs Computing kpt #: 333 total cpu time spent up to now is 85.5 secs Computing kpt #: 334 total cpu time spent up to now is 85.7 secs Computing kpt #: 335 total cpu time spent up to now is 86.0 secs Computing kpt #: 336 total cpu time spent up to now is 86.2 secs Computing kpt #: 337 total cpu time spent up to now is 86.4 secs Computing kpt #: 338 total cpu time spent up to now is 86.7 secs Computing kpt #: 339 total cpu time spent up to now is 86.9 secs Computing kpt #: 340 total cpu time spent up to now is 87.1 secs Computing kpt #: 341 total cpu time spent up to now is 87.4 secs Computing kpt #: 342 total cpu time spent up to now is 87.6 secs Computing kpt #: 343 total cpu time spent up to now is 87.8 secs Computing kpt #: 344 total cpu time spent up to now is 88.1 secs Computing kpt #: 345 total cpu time spent up to now is 88.3 secs Computing kpt #: 346 total cpu time spent up to now is 88.5 secs Computing kpt #: 347 total cpu time spent up to now is 88.8 secs Computing kpt #: 348 total cpu time spent up to now is 89.0 secs Computing kpt #: 349 total cpu time spent up to now is 89.3 secs Computing kpt #: 350 total cpu time spent up to now is 89.5 secs Computing kpt #: 351 total cpu time spent up to now is 89.7 secs Computing kpt #: 352 total cpu time spent up to now is 90.0 secs Computing kpt #: 353 total cpu time spent up to now is 90.2 secs Computing kpt #: 354 total cpu time spent up to now is 90.4 secs Computing kpt #: 355 total cpu time spent up to now is 90.7 secs Computing kpt #: 356 total cpu time spent up to now is 90.9 secs Computing kpt #: 357 total cpu time spent up to now is 91.1 secs Computing kpt #: 358 total cpu time spent up to now is 91.4 secs Computing kpt #: 359 total cpu time spent up to now is 91.6 secs Computing kpt #: 360 total cpu time spent up to now is 91.9 secs Computing kpt #: 361 total cpu time spent up to now is 92.1 secs Computing kpt #: 362 total cpu time spent up to now is 92.3 secs Computing kpt #: 363 total cpu time spent up to now is 92.6 secs Computing kpt #: 364 total cpu time spent up to now is 92.8 secs Computing kpt #: 365 total cpu time spent up to now is 93.0 secs Computing kpt #: 366 total cpu time spent up to now is 93.3 secs Computing kpt #: 367 total cpu time spent up to now is 93.5 secs Computing kpt #: 368 total cpu time spent up to now is 93.8 secs Computing kpt #: 369 total cpu time spent up to now is 94.0 secs Computing kpt #: 370 total cpu time spent up to now is 94.2 secs Computing kpt #: 371 total cpu time spent up to now is 94.5 secs Computing kpt #: 372 total cpu time spent up to now is 94.7 secs Computing kpt #: 373 total cpu time spent up to now is 95.0 secs Computing kpt #: 374 total cpu time spent up to now is 95.2 secs Computing kpt #: 375 total cpu time spent up to now is 95.4 secs Computing kpt #: 376 total cpu time spent up to now is 95.7 secs Computing kpt #: 377 total cpu time spent up to now is 95.9 secs Computing kpt #: 378 total cpu time spent up to now is 96.1 secs Computing kpt #: 379 total cpu time spent up to now is 96.4 secs Computing kpt #: 380 total cpu time spent up to now is 96.6 secs Computing kpt #: 381 total cpu time spent up to now is 96.8 secs Computing kpt #: 382 total cpu time spent up to now is 97.1 secs Computing kpt #: 383 total cpu time spent up to now is 97.3 secs Computing kpt #: 384 total cpu time spent up to now is 97.6 secs Computing kpt #: 385 total cpu time spent up to now is 97.8 secs Computing kpt #: 386 total cpu time spent up to now is 98.0 secs Computing kpt #: 387 total cpu time spent up to now is 98.3 secs Computing kpt #: 388 total cpu time spent up to now is 98.5 secs Computing kpt #: 389 total cpu time spent up to now is 98.8 secs Computing kpt #: 390 total cpu time spent up to now is 99.0 secs Computing kpt #: 391 total cpu time spent up to now is 99.3 secs Computing kpt #: 392 total cpu time spent up to now is 99.5 secs Computing kpt #: 393 total cpu time spent up to now is 99.7 secs Computing kpt #: 394 total cpu time spent up to now is 100.0 secs Computing kpt #: 395 total cpu time spent up to now is 100.2 secs Computing kpt #: 396 total cpu time spent up to now is 100.5 secs Computing kpt #: 397 total cpu time spent up to now is 100.7 secs Computing kpt #: 398 total cpu time spent up to now is 101.0 secs Computing kpt #: 399 total cpu time spent up to now is 101.2 secs Computing kpt #: 400 total cpu time spent up to now is 101.4 secs Computing kpt #: 401 total cpu time spent up to now is 101.7 secs Computing kpt #: 402 total cpu time spent up to now is 101.9 secs Computing kpt #: 403 total cpu time spent up to now is 102.2 secs Computing kpt #: 404 total cpu time spent up to now is 102.4 secs Computing kpt #: 405 total cpu time spent up to now is 102.7 secs Computing kpt #: 406 total cpu time spent up to now is 102.9 secs Computing kpt #: 407 total cpu time spent up to now is 103.2 secs Computing kpt #: 408 total cpu time spent up to now is 103.4 secs Computing kpt #: 409 total cpu time spent up to now is 103.6 secs Computing kpt #: 410 total cpu time spent up to now is 103.9 secs Computing kpt #: 411 total cpu time spent up to now is 104.1 secs Computing kpt #: 412 total cpu time spent up to now is 104.4 secs Computing kpt #: 413 total cpu time spent up to now is 104.6 secs Computing kpt #: 414 total cpu time spent up to now is 104.8 secs Computing kpt #: 415 total cpu time spent up to now is 105.1 secs Computing kpt #: 416 total cpu time spent up to now is 105.3 secs Computing kpt #: 417 total cpu time spent up to now is 105.6 secs Computing kpt #: 418 total cpu time spent up to now is 105.8 secs Computing kpt #: 419 total cpu time spent up to now is 106.1 secs Computing kpt #: 420 total cpu time spent up to now is 106.3 secs Computing kpt #: 421 total cpu time spent up to now is 106.6 secs Computing kpt #: 422 total cpu time spent up to now is 106.9 secs Computing kpt #: 423 total cpu time spent up to now is 107.1 secs Computing kpt #: 424 total cpu time spent up to now is 107.4 secs Computing kpt #: 425 total cpu time spent up to now is 107.6 secs Computing kpt #: 426 total cpu time spent up to now is 107.8 secs Computing kpt #: 427 total cpu time spent up to now is 108.1 secs Computing kpt #: 428 total cpu time spent up to now is 108.3 secs Computing kpt #: 429 total cpu time spent up to now is 108.6 secs Computing kpt #: 430 total cpu time spent up to now is 108.8 secs Computing kpt #: 431 total cpu time spent up to now is 109.0 secs Computing kpt #: 432 total cpu time spent up to now is 109.3 secs Computing kpt #: 433 total cpu time spent up to now is 109.5 secs Computing kpt #: 434 total cpu time spent up to now is 109.7 secs Computing kpt #: 435 total cpu time spent up to now is 109.9 secs Computing kpt #: 436 total cpu time spent up to now is 110.2 secs Computing kpt #: 437 total cpu time spent up to now is 110.4 secs Computing kpt #: 438 total cpu time spent up to now is 110.6 secs Computing kpt #: 439 total cpu time spent up to now is 110.8 secs Computing kpt #: 440 total cpu time spent up to now is 111.1 secs Computing kpt #: 441 total cpu time spent up to now is 111.3 secs Computing kpt #: 442 total cpu time spent up to now is 111.5 secs Computing kpt #: 443 total cpu time spent up to now is 111.8 secs Computing kpt #: 444 total cpu time spent up to now is 112.0 secs Computing kpt #: 445 total cpu time spent up to now is 112.2 secs Computing kpt #: 446 total cpu time spent up to now is 112.4 secs Computing kpt #: 447 total cpu time spent up to now is 112.7 secs Computing kpt #: 448 total cpu time spent up to now is 112.9 secs Computing kpt #: 449 total cpu time spent up to now is 113.1 secs Computing kpt #: 450 total cpu time spent up to now is 113.4 secs Computing kpt #: 451 total cpu time spent up to now is 113.6 secs Computing kpt #: 452 total cpu time spent up to now is 113.8 secs Computing kpt #: 453 total cpu time spent up to now is 114.0 secs Computing kpt #: 454 total cpu time spent up to now is 114.3 secs Computing kpt #: 455 total cpu time spent up to now is 114.5 secs Computing kpt #: 456 total cpu time spent up to now is 114.7 secs Computing kpt #: 457 total cpu time spent up to now is 115.0 secs Computing kpt #: 458 total cpu time spent up to now is 115.2 secs Computing kpt #: 459 total cpu time spent up to now is 115.4 secs Computing kpt #: 460 total cpu time spent up to now is 115.6 secs Computing kpt #: 461 total cpu time spent up to now is 115.9 secs Computing kpt #: 462 total cpu time spent up to now is 116.1 secs Computing kpt #: 463 total cpu time spent up to now is 116.3 secs Computing kpt #: 464 total cpu time spent up to now is 116.5 secs Computing kpt #: 465 total cpu time spent up to now is 116.8 secs Computing kpt #: 466 total cpu time spent up to now is 117.0 secs Computing kpt #: 467 total cpu time spent up to now is 117.2 secs Computing kpt #: 468 total cpu time spent up to now is 117.4 secs Computing kpt #: 469 total cpu time spent up to now is 117.7 secs Computing kpt #: 470 total cpu time spent up to now is 117.9 secs Computing kpt #: 471 total cpu time spent up to now is 118.1 secs Computing kpt #: 472 total cpu time spent up to now is 118.3 secs Computing kpt #: 473 total cpu time spent up to now is 118.6 secs Computing kpt #: 474 total cpu time spent up to now is 118.8 secs Computing kpt #: 475 total cpu time spent up to now is 119.0 secs Computing kpt #: 476 total cpu time spent up to now is 119.3 secs Computing kpt #: 477 total cpu time spent up to now is 119.5 secs Computing kpt #: 478 total cpu time spent up to now is 119.7 secs Computing kpt #: 479 total cpu time spent up to now is 120.0 secs Computing kpt #: 480 total cpu time spent up to now is 120.2 secs Computing kpt #: 481 total cpu time spent up to now is 120.4 secs Computing kpt #: 482 total cpu time spent up to now is 120.6 secs Computing kpt #: 483 total cpu time spent up to now is 120.9 secs Computing kpt #: 484 total cpu time spent up to now is 121.1 secs Computing kpt #: 485 total cpu time spent up to now is 121.4 secs Computing kpt #: 486 total cpu time spent up to now is 121.6 secs ethr = 5.56E-08, avg # of iterations = 16.9 total cpu time spent up to now is 121.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2123 PWs) bands (ev): -46.1300 -46.1300 -22.6700 -22.6700 -22.0343 -22.0343 -21.8502 -21.8502 -7.7133 -7.7133 7.4956 7.4956 8.1083 8.1083 8.1252 8.1252 9.5691 9.5691 12.5162 12.5162 12.9270 12.9270 12.9572 12.9572 13.3878 13.3878 k = 0.0083 0.0048-0.0000 ( 2123 PWs) bands (ev): -46.1300 -46.1300 -22.6700 -22.6700 -22.0344 -22.0344 -21.8504 -21.8504 -7.7128 -7.7128 7.4951 7.4951 8.1064 8.1064 8.1236 8.1236 9.5707 9.5707 12.5190 12.5190 12.9271 12.9271 12.9573 12.9573 13.3879 13.3879 k = 0.0167 0.0096-0.0000 ( 2117 PWs) bands (ev): -46.1299 -46.1299 -22.6701 -22.6701 -22.0346 -22.0346 -21.8508 -21.8508 -7.7113 -7.7113 7.4938 7.4938 8.0991 8.0991 8.1209 8.1209 9.5752 9.5752 12.5274 12.5274 12.9274 12.9274 12.9576 12.9576 13.3881 13.3896 k = 0.0250 0.0144-0.0000 ( 2113 PWs) bands (ev): -46.1297 -46.1297 -22.6703 -22.6703 -22.0350 -22.0350 -21.8516 -21.8516 -7.7089 -7.7089 7.4915 7.4915 8.0839 8.0839 8.1193 8.1193 9.5827 9.5827 12.5410 12.5410 12.9277 12.9277 12.9585 12.9585 13.3883 13.3884 k = 0.0333 0.0192-0.0000 ( 2105 PWs) bands (ev): -46.1295 -46.1295 -22.6706 -22.6706 -22.0355 -22.0355 -21.8527 -21.8527 -7.7055 -7.7055 7.4884 7.4884 8.0612 8.0612 8.1188 8.1188 9.5932 9.5932 12.5592 12.5592 12.9280 12.9280 12.9603 12.9603 13.3882 13.3882 k = 0.0417 0.0241-0.0000 ( 2101 PWs) bands (ev): -46.1292 -46.1292 -22.6710 -22.6710 -22.0362 -22.0362 -21.8541 -21.8541 -7.7012 -7.7012 7.4844 7.4844 8.0320 8.0320 8.1188 8.1188 9.6064 9.6064 12.5811 12.5811 12.9289 12.9289 12.9636 12.9636 13.3876 13.3882 k = 0.0500 0.0289-0.0000 ( 2101 PWs) bands (ev): -46.1288 -46.1288 -22.6714 -22.6714 -22.0371 -22.0371 -21.8557 -21.8557 -7.6959 -7.6959 7.4795 7.4795 7.9967 7.9967 8.1191 8.1191 9.6225 9.6225 12.6054 12.6054 12.9311 12.9311 12.9683 12.9683 13.3862 13.3862 k = 0.0583 0.0337-0.0000 ( 2101 PWs) bands (ev): -46.1284 -46.1284 -22.6719 -22.6719 -22.0380 -22.0380 -21.8577 -21.8577 -7.6897 -7.6897 7.4738 7.4738 7.9558 7.9558 8.1195 8.1195 9.6411 9.6411 12.6300 12.6300 12.9364 12.9364 12.9746 12.9746 13.3841 13.3842 k = 0.0667 0.0385-0.0000 ( 2102 PWs) bands (ev): -46.1279 -46.1279 -22.6725 -22.6725 -22.0392 -22.0392 -21.8599 -21.8599 -7.6825 -7.6825 7.4672 7.4672 7.9099 7.9099 8.1201 8.1201 9.6622 9.6622 12.6523 12.6523 12.9472 12.9472 12.9825 12.9825 13.3813 13.3815 k = 0.0750 0.0433-0.0000 ( 2098 PWs) bands (ev): -46.1274 -46.1274 -22.6732 -22.6732 -22.0405 -22.0405 -21.8624 -21.8624 -7.6745 -7.6745 7.4599 7.4599 7.8595 7.8595 8.1208 8.1208 9.6857 9.6857 12.6696 12.6696 12.9654 12.9654 12.9924 12.9924 13.3780 13.3780 k = 0.0833 0.0481-0.0000 ( 2096 PWs) bands (ev): -46.1268 -46.1268 -22.6740 -22.6740 -22.0419 -22.0419 -21.8651 -21.8651 -7.6655 -7.6655 7.4518 7.4518 7.8048 7.8048 8.1215 8.1215 9.7115 9.7115 12.6799 12.6799 12.9900 12.9900 13.0071 13.0071 13.3740 13.3740 k = 0.0917 0.0529-0.0000 ( 2100 PWs) bands (ev): -46.1261 -46.1261 -22.6749 -22.6749 -22.0435 -22.0435 -21.8680 -21.8680 -7.6558 -7.6558 7.4430 7.4430 7.7465 7.7465 8.1223 8.1223 9.7394 9.7394 12.6825 12.6825 13.0086 13.0086 13.0394 13.0394 13.3696 13.3696 k = 0.1000 0.0577-0.0000 ( 2092 PWs) bands (ev): -46.1254 -46.1254 -22.6758 -22.6758 -22.0453 -22.0453 -21.8712 -21.8712 -7.6451 -7.6451 7.4335 7.4335 7.6848 7.6848 8.1231 8.1231 9.7693 9.7693 12.6785 12.6785 13.0226 13.0226 13.0865 13.0865 13.3647 13.3647 k = 0.1083 0.0625-0.0000 ( 2092 PWs) bands (ev): -46.1246 -46.1246 -22.6769 -22.6769 -22.0472 -22.0472 -21.8745 -21.8745 -7.6337 -7.6337 7.4233 7.4233 7.6204 7.6204 8.1239 8.1239 9.8010 9.8010 12.6693 12.6693 13.0369 13.0369 13.1420 13.1420 13.3594 13.3594 k = 0.1167 0.0674-0.0000 ( 2084 PWs) bands (ev): -46.1238 -46.1238 -22.6780 -22.6780 -22.0492 -22.0492 -21.8781 -21.8781 -7.6215 -7.6215 7.4124 7.4124 7.5535 7.5535 8.1247 8.1247 9.8344 9.8344 12.6563 12.6563 13.0520 13.0520 13.2035 13.2035 13.3538 13.3538 k = 0.1250 0.0722-0.0000 ( 2080 PWs) bands (ev): -46.1229 -46.1229 -22.6792 -22.6792 -22.0514 -22.0514 -21.8817 -21.8817 -7.6085 -7.6085 7.4006 7.4006 7.4848 7.4848 8.1255 8.1255 9.8693 9.8693 12.6405 12.6405 13.0682 13.0682 13.2694 13.2694 13.3482 13.3482 k = 0.1333 0.0770-0.0000 ( 2082 PWs) bands (ev): -46.1220 -46.1220 -22.6805 -22.6805 -22.0538 -22.0538 -21.8855 -21.8855 -7.5949 -7.5949 7.3861 7.3861 7.4164 7.4164 8.1263 8.1263 9.9056 9.9056 12.6230 12.6230 13.0855 13.0855 13.3313 13.3313 13.3500 13.3500 k = 0.1417 0.0818-0.0000 ( 2086 PWs) bands (ev): -46.1211 -46.1211 -22.6819 -22.6819 -22.0563 -22.0563 -21.8895 -21.8895 -7.5805 -7.5805 7.3375 7.3375 7.3802 7.3802 8.1271 8.1271 9.9430 9.9430 12.6043 12.6043 13.1038 13.1038 13.3326 13.3327 13.4148 13.4149 k = 0.1500 0.0866-0.0000 ( 2086 PWs) bands (ev): -46.1201 -46.1201 -22.6834 -22.6834 -22.0589 -22.0589 -21.8935 -21.8935 -7.5655 -7.5655 7.2653 7.2653 7.3660 7.3660 8.1278 8.1278 9.9813 9.9813 12.5850 12.5850 13.1232 13.1232 13.3261 13.3261 13.4891 13.4891 k = 0.1583 0.0914-0.0000 ( 2082 PWs) bands (ev): -46.1190 -46.1190 -22.6850 -22.6850 -22.0617 -22.0617 -21.8976 -21.8976 -7.5498 -7.5498 7.1911 7.1911 7.3525 7.3525 8.1284 8.1284 10.0203 10.0203 12.5657 12.5657 13.1436 13.1436 13.3189 13.3189 13.5330 13.5330 k = 0.1667 0.0962-0.0000 ( 2086 PWs) bands (ev): -46.1179 -46.1179 -22.6867 -22.6867 -22.0646 -22.0646 -21.9017 -21.9017 -7.5336 -7.5336 7.1161 7.1161 7.3388 7.3388 8.1290 8.1290 10.0597 10.0597 12.5467 12.5467 13.1651 13.1651 13.3114 13.3114 13.5451 13.5451 k = 0.1750 0.1010-0.0000 ( 2090 PWs) bands (ev): -46.1168 -46.1168 -22.6885 -22.6885 -22.0676 -22.0676 -21.9059 -21.9059 -7.5169 -7.5169 7.0405 7.0405 7.3250 7.3250 8.1295 8.1295 10.0992 10.0992 12.5286 12.5286 13.1875 13.1875 13.3037 13.3037 13.5568 13.5568 k = 0.1833 0.1058-0.0000 ( 2086 PWs) bands (ev): -46.1157 -46.1157 -22.6904 -22.6904 -22.0708 -22.0708 -21.9101 -21.9101 -7.4996 -7.4996 6.9647 6.9647 7.3109 7.3109 8.1299 8.1299 10.1385 10.1385 12.5117 12.5117 13.2107 13.2107 13.2959 13.2959 13.5684 13.5684 k = 0.1917 0.1107-0.0000 ( 2086 PWs) bands (ev): -46.1145 -46.1145 -22.6923 -22.6923 -22.0740 -22.0740 -21.9143 -21.9143 -7.4819 -7.4819 6.8890 6.8890 7.2966 7.2966 8.1302 8.1302 10.1773 10.1773 12.4965 12.4965 13.2345 13.2345 13.2884 13.2884 13.5800 13.5800 k = 0.2000 0.1155-0.0000 ( 2090 PWs) bands (ev): -46.1133 -46.1133 -22.6944 -22.6944 -22.0774 -22.0774 -21.9184 -21.9184 -7.4638 -7.4638 6.8134 6.8134 7.2821 7.2821 8.1303 8.1303 10.2152 10.2152 12.4833 12.4833 13.2571 13.2571 13.2828 13.2828 13.5914 13.5914 k = 0.2083 0.1203-0.0000 ( 2094 PWs) bands (ev): -46.1121 -46.1121 -22.6965 -22.6965 -22.0810 -22.0810 -21.9225 -21.9225 -7.4454 -7.4454 6.7382 6.7382 7.2676 7.2676 8.1304 8.1304 10.2518 10.2518 12.4726 12.4726 13.2650 13.2651 13.2925 13.2925 13.6027 13.6027 k = 0.2167 0.1251-0.0000 ( 2086 PWs) bands (ev): -46.1109 -46.1109 -22.6988 -22.6988 -22.0846 -22.0846 -21.9266 -21.9266 -7.4266 -7.4266 6.6635 6.6635 7.2530 7.2530 8.1303 8.1303 10.2869 10.2869 12.4648 12.4648 13.2589 13.2589 13.3171 13.3171 13.6137 13.6137 k = 0.2250 0.1299-0.0000 ( 2090 PWs) bands (ev): -46.1096 -46.1096 -22.7011 -22.7011 -22.0882 -22.0882 -21.9306 -21.9306 -7.4076 -7.4076 6.5896 6.5896 7.2383 7.2383 8.1302 8.1302 10.3199 10.3199 12.4603 12.4603 13.2508 13.2508 13.3442 13.3442 13.6246 13.6246 k = 0.2333 0.1347-0.0000 ( 2086 PWs) bands (ev): -46.1084 -46.1084 -22.7034 -22.7034 -22.0920 -22.0920 -21.9345 -21.9345 -7.3884 -7.3884 6.5165 6.5165 7.2236 7.2236 8.1299 8.1299 10.3507 10.3507 12.4593 12.4593 13.2423 13.2423 13.3725 13.3725 13.6351 13.6351 k = 0.2417 0.1395-0.0000 ( 2086 PWs) bands (ev): -46.1071 -46.1071 -22.7059 -22.7059 -22.0958 -22.0958 -21.9383 -21.9383 -7.3690 -7.3690 6.4444 6.4444 7.2090 7.2090 8.1295 8.1295 10.3787 10.3787 12.4622 12.4622 13.2336 13.2336 13.4016 13.4016 13.6454 13.6454 k = 0.2500 0.1443-0.0000 ( 2086 PWs) bands (ev): -46.1058 -46.1058 -22.7084 -22.7084 -22.0997 -22.0997 -21.9420 -21.9420 -7.3495 -7.3495 6.3735 6.3735 7.1945 7.1945 8.1289 8.1289 10.4039 10.4039 12.4693 12.4693 13.2248 13.2248 13.4313 13.4313 13.6553 13.6553 k = 0.2583 0.1491-0.0000 ( 2086 PWs) bands (ev): -46.1046 -46.1046 -22.7110 -22.7110 -22.1036 -22.1036 -21.9456 -21.9456 -7.3299 -7.3299 6.3037 6.3037 7.1801 7.1801 8.1283 8.1283 10.4258 10.4258 12.4807 12.4807 13.2160 13.2160 13.4616 13.4616 13.6649 13.6649 k = 0.2667 0.1540-0.0000 ( 2090 PWs) bands (ev): -46.1033 -46.1033 -22.7137 -22.7137 -22.1075 -22.1075 -21.9491 -21.9491 -7.3104 -7.3104 6.2354 6.2354 7.1659 7.1659 8.1275 8.1275 10.4445 10.4445 12.4965 12.4965 13.2072 13.2072 13.4922 13.4922 13.6740 13.6740 k = 0.2750 0.1588-0.0000 ( 2088 PWs) bands (ev): -46.1020 -46.1020 -22.7164 -22.7164 -22.1115 -22.1115 -21.9524 -21.9524 -7.2909 -7.2909 6.1685 6.1685 7.1519 7.1519 8.1266 8.1266 10.4597 10.4597 12.5167 12.5167 13.1985 13.1985 13.5232 13.5232 13.6828 13.6828 k = 0.2833 0.1636-0.0000 ( 2088 PWs) bands (ev): -46.1008 -46.1008 -22.7191 -22.7191 -22.1154 -22.1154 -21.9557 -21.9557 -7.2715 -7.2715 6.1032 6.1032 7.1381 7.1381 8.1256 8.1256 10.4715 10.4715 12.5411 12.5411 13.1898 13.1898 13.5544 13.5544 13.6912 13.6912 k = 0.2917 0.1684-0.0000 ( 2096 PWs) bands (ev): -46.0996 -46.0996 -22.7218 -22.7218 -22.1193 -22.1193 -21.9587 -21.9587 -7.2522 -7.2522 6.0395 6.0395 7.1245 7.1245 8.1245 8.1245 10.4800 10.4800 12.5697 12.5697 13.1813 13.1813 13.5858 13.5858 13.6992 13.6992 k = 0.3000 0.1732-0.0000 ( 2096 PWs) bands (ev): -46.0983 -46.0983 -22.7246 -22.7246 -22.1232 -22.1232 -21.9617 -21.9617 -7.2332 -7.2332 5.9777 5.9777 7.1113 7.1113 8.1233 8.1233 10.4852 10.4852 12.6021 12.6021 13.1729 13.1729 13.6170 13.6170 13.7069 13.7069 k = 0.3083 0.1780-0.0000 ( 2096 PWs) bands (ev): -46.0971 -46.0971 -22.7274 -22.7274 -22.1270 -22.1270 -21.9645 -21.9645 -7.2144 -7.2144 5.9176 5.9176 7.0984 7.0984 8.1221 8.1221 10.4875 10.4875 12.6379 12.6379 13.1646 13.1646 13.6480 13.6480 13.7143 13.7143 k = 0.3167 0.1828-0.0000 ( 2096 PWs) bands (ev): -46.0960 -46.0960 -22.7302 -22.7302 -22.1308 -22.1308 -21.9672 -21.9672 -7.1960 -7.1960 5.8595 5.8595 7.0858 7.0858 8.1208 8.1208 10.4870 10.4870 12.6768 12.6768 13.1565 13.1565 13.6783 13.6783 13.7219 13.7219 k = 0.3250 0.1876-0.0000 ( 2092 PWs) bands (ev): -46.0948 -46.0948 -22.7330 -22.7330 -22.1344 -22.1344 -21.9698 -21.9698 -7.1779 -7.1779 5.8035 5.8035 7.0736 7.0736 8.1194 8.1194 10.4841 10.4841 12.7183 12.7183 13.1487 13.1487 13.7060 13.7060 13.7314 13.7314 k = 0.3333 0.1925-0.0000 ( 2088 PWs) bands (ev): -46.0937 -46.0937 -22.7357 -22.7357 -22.1380 -22.1380 -21.9722 -21.9722 -7.1602 -7.1602 5.7495 5.7495 7.0618 7.0618 8.1180 8.1180 10.4790 10.4790 12.7618 12.7618 13.1410 13.1410 13.7242 13.7242 13.7496 13.7496 k = 0.3417 0.1973-0.0000 ( 2092 PWs) bands (ev): -46.0926 -46.0926 -22.7385 -22.7385 -22.1415 -22.1415 -21.9745 -21.9745 -7.1431 -7.1431 5.6977 5.6977 7.0505 7.0505 8.1165 8.1165 10.4720 10.4720 12.8069 12.8069 13.1336 13.1336 13.7327 13.7327 13.7764 13.7764 k = 0.3500 0.2021-0.0000 ( 2100 PWs) bands (ev): -46.0916 -46.0916 -22.7412 -22.7412 -22.1448 -22.1448 -21.9766 -21.9766 -7.1264 -7.1264 5.6481 5.6481 7.0396 7.0396 8.1150 8.1150 10.4635 10.4635 12.8531 12.8531 13.1264 13.1264 13.7386 13.7386 13.8049 13.8049 k = 0.3583 0.2069-0.0000 ( 2100 PWs) bands (ev): -46.0906 -46.0906 -22.7438 -22.7438 -22.1481 -22.1481 -21.9787 -21.9787 -7.1104 -7.1104 5.6008 5.6008 7.0292 7.0292 8.1135 8.1135 10.4539 10.4539 12.8998 12.8998 13.1196 13.1196 13.7435 13.7435 13.8333 13.8333 k = 0.3667 0.2117-0.0000 ( 2098 PWs) bands (ev): -46.0896 -46.0896 -22.7463 -22.7463 -22.1512 -22.1512 -21.9806 -21.9806 -7.0949 -7.0949 5.5559 5.5559 7.0192 7.0192 8.1121 8.1121 10.4433 10.4433 12.9465 12.9465 13.1130 13.1130 13.7477 13.7477 13.8611 13.8611 k = 0.3750 0.2165-0.0000 ( 2104 PWs) bands (ev): -46.0887 -46.0887 -22.7488 -22.7488 -22.1541 -22.1541 -21.9823 -21.9823 -7.0802 -7.0802 5.5134 5.5134 7.0098 7.0098 8.1106 8.1106 10.4320 10.4320 12.9926 12.9926 13.1069 13.1069 13.7515 13.7515 13.8880 13.8880 k = 0.3833 0.2213-0.0000 ( 2100 PWs) bands (ev): -46.0878 -46.0878 -22.7512 -22.7512 -22.1569 -22.1569 -21.9840 -21.9840 -7.0661 -7.0661 5.4734 5.4734 7.0009 7.0009 8.1091 8.1091 10.4204 10.4204 13.0377 13.0377 13.1012 13.1012 13.7549 13.7549 13.9138 13.9138 k = 0.3917 0.2261-0.0000 ( 2104 PWs) bands (ev): -46.0870 -46.0870 -22.7535 -22.7535 -22.1595 -22.1595 -21.9855 -21.9855 -7.0528 -7.0528 5.4359 5.4359 6.9926 6.9926 8.1077 8.1077 10.4086 10.4086 13.0796 13.0796 13.0977 13.0977 13.7579 13.7579 13.9385 13.9385 k = 0.4000 0.2309-0.0000 ( 2100 PWs) bands (ev): -46.0862 -46.0862 -22.7556 -22.7556 -22.1620 -22.1620 -21.9869 -21.9869 -7.0404 -7.0404 5.4010 5.4010 6.9848 6.9848 8.1064 8.1064 10.3970 10.3970 13.0885 13.0885 13.1258 13.1258 13.7606 13.7606 13.9619 13.9619 k = 0.4083 0.2358-0.0000 ( 2104 PWs) bands (ev): -46.0855 -46.0855 -22.7577 -22.7577 -22.1643 -22.1643 -21.9882 -21.9882 -7.0287 -7.0287 5.3687 5.3687 6.9776 6.9776 8.1051 8.1051 10.3855 10.3855 13.0843 13.0843 13.1652 13.1652 13.7629 13.7629 13.9839 13.9839 k = 0.4167 0.2406-0.0000 ( 2104 PWs) bands (ev): -46.0848 -46.0848 -22.7595 -22.7595 -22.1664 -22.1664 -21.9894 -21.9894 -7.0180 -7.0180 5.3391 5.3391 6.9710 6.9710 8.1039 8.1039 10.3746 10.3746 13.0799 13.0799 13.2027 13.2027 13.7650 13.7650 14.0044 14.0044 k = 0.4250 0.2454-0.0000 ( 2104 PWs) bands (ev): -46.0842 -46.0842 -22.7613 -22.7613 -22.1683 -22.1683 -21.9904 -21.9904 -7.0082 -7.0082 5.3122 5.3122 6.9649 6.9649 8.1027 8.1027 10.3642 10.3642 13.0759 13.0759 13.2375 13.2375 13.7669 13.7669 14.0233 14.0233 k = 0.4333 0.2502-0.0000 ( 2104 PWs) bands (ev): -46.0836 -46.0836 -22.7629 -22.7629 -22.1700 -22.1700 -21.9914 -21.9914 -6.9993 -6.9993 5.2880 5.2880 6.9595 6.9595 8.1017 8.1017 10.3545 10.3545 13.0723 13.0723 13.2694 13.2694 13.7684 13.7684 14.0404 14.0404 k = 0.4417 0.2550-0.0000 ( 2104 PWs) bands (ev): -46.0831 -46.0831 -22.7643 -22.7643 -22.1715 -22.1715 -21.9922 -21.9922 -6.9914 -6.9914 5.2666 5.2666 6.9547 6.9547 8.1007 8.1007 10.3458 10.3458 13.0690 13.0690 13.2979 13.2979 13.7698 13.7698 14.0558 14.0558 k = 0.4500 0.2598-0.0000 ( 2104 PWs) bands (ev): -46.0827 -46.0827 -22.7655 -22.7655 -22.1728 -22.1728 -21.9929 -21.9929 -6.9844 -6.9844 5.2480 5.2480 6.9505 6.9505 8.0999 8.0999 10.3380 10.3380 13.0661 13.0661 13.3231 13.3231 13.7709 13.7709 14.0692 14.0692 k = 0.4583 0.2646-0.0000 ( 2108 PWs) bands (ev): -46.0824 -46.0824 -22.7666 -22.7666 -22.1740 -22.1740 -21.9935 -21.9935 -6.9786 -6.9786 5.2322 5.2322 6.9470 6.9470 8.0992 8.0992 10.3312 10.3312 13.0637 13.0637 13.3446 13.3446 13.7719 13.7719 14.0808 14.0808 k = 0.4667 0.2694-0.0000 ( 2108 PWs) bands (ev): -46.0821 -46.0821 -22.7675 -22.7675 -22.1749 -22.1749 -21.9940 -21.9940 -6.9737 -6.9737 5.2192 5.2192 6.9441 6.9441 8.0986 8.0986 10.3256 10.3256 13.0617 13.0617 13.3624 13.3624 13.7726 13.7726 14.0903 14.0903 k = 0.4750 0.2742-0.0000 ( 2108 PWs) bands (ev): -46.0818 -46.0818 -22.7682 -22.7682 -22.1756 -22.1756 -21.9944 -21.9944 -6.9699 -6.9699 5.2091 5.2091 6.9418 6.9418 8.0981 8.0981 10.3212 10.3212 13.0602 13.0602 13.3764 13.3764 13.7732 13.7732 14.0977 14.0977 k = 0.4833 0.2791-0.0000 ( 2116 PWs) bands (ev): -46.0817 -46.0817 -22.7687 -22.7687 -22.1761 -22.1761 -21.9946 -21.9946 -6.9672 -6.9672 5.2019 5.2019 6.9402 6.9402 8.0978 8.0978 10.3180 10.3180 13.0590 13.0590 13.3864 13.3864 13.7736 13.7736 14.1031 14.1031 k = 0.4917 0.2839-0.0000 ( 2124 PWs) bands (ev): -46.0816 -46.0816 -22.7690 -22.7690 -22.1764 -22.1764 -21.9948 -21.9948 -6.9656 -6.9656 5.1976 5.1976 6.9392 6.9392 8.0976 8.0976 10.3160 10.3160 13.0584 13.0584 13.3924 13.3924 13.7738 13.7738 14.1063 14.1063 k = 0.5000 0.2887-0.0000 ( 2122 PWs) bands (ev): -46.0815 -46.0815 -22.7691 -22.7691 -22.1766 -22.1766 -21.9949 -21.9949 -6.9651 -6.9651 5.1961 5.1961 6.9389 6.9389 8.0975 8.0975 10.3154 10.3154 13.0582 13.0582 13.3945 13.3945 13.7739 13.7739 14.1074 14.1074 k = 0.5000 0.2887-0.0000 ( 2122 PWs) bands (ev): -46.0815 -46.0815 -22.7691 -22.7691 -22.1766 -22.1766 -21.9949 -21.9949 -6.9651 -6.9651 5.1961 5.1961 6.9389 6.9389 8.0975 8.0975 10.3154 10.3154 13.0582 13.0582 13.3945 13.3945 13.7739 13.7739 14.1074 14.1074 k = 0.4952 0.2969-0.0000 ( 2126 PWs) bands (ev): -46.0815 -46.0815 -22.7694 -22.7688 -22.1766 -22.1764 -21.9953 -21.9948 -6.9651 -6.9647 5.1969 5.1973 6.9389 6.9390 8.0942 8.0947 10.3179 10.3183 13.0534 13.0562 13.3934 13.3945 13.7758 13.7784 14.1021 14.1025 k = 0.4905 0.3052-0.0000 ( 2118 PWs) bands (ev): -46.0815 -46.0815 -22.7696 -22.7685 -22.1765 -22.1762 -21.9960 -21.9950 -6.9648 -6.9641 5.1995 5.2002 6.9390 6.9392 8.0847 8.0857 10.3258 10.3266 13.0421 13.0476 13.3915 13.3937 13.7840 13.7890 14.0871 14.0879 k = 0.4857 0.3134-0.0000 ( 2110 PWs) bands (ev): -46.0814 -46.0814 -22.7699 -22.7681 -22.1763 -22.1758 -21.9970 -21.9955 -6.9642 -6.9631 5.2040 5.2051 6.9393 6.9396 8.0692 8.0707 10.3389 10.3403 13.0250 13.0329 13.3886 13.3918 13.7980 13.8052 14.0628 14.0639 k = 0.4810 0.3217-0.0000 ( 2112 PWs) bands (ev): -46.0814 -46.0814 -22.7701 -22.7678 -22.1760 -22.1753 -21.9984 -21.9963 -6.9632 -6.9618 5.2103 5.2118 6.9396 6.9400 8.0479 8.0499 10.3572 10.3590 13.0028 13.0128 13.3847 13.3889 13.8169 13.8259 14.0301 14.0316 k = 0.4762 0.3299-0.0000 ( 2112 PWs) bands (ev): -46.0813 -46.0813 -22.7703 -22.7674 -22.1756 -22.1748 -22.0000 -21.9974 -6.9620 -6.9603 5.2185 5.2204 6.9401 6.9406 8.0211 8.0236 10.3804 10.3826 12.9766 12.9882 13.3798 13.3850 13.8400 13.8503 13.9902 13.9920 k = 0.4714 0.3382-0.0000 ( 2112 PWs) bands (ev): -46.0811 -46.0811 -22.7705 -22.7670 -22.1751 -22.1741 -22.0019 -21.9988 -6.9605 -6.9584 5.2285 5.2307 6.9406 6.9412 7.9892 7.9921 10.4083 10.4108 12.9471 12.9601 13.3738 13.3800 13.8663 13.8767 13.9440 13.9471 k = 0.4667 0.3464-0.0000 ( 2108 PWs) bands (ev): -46.0810 -46.0810 -22.7707 -22.7666 -22.1744 -22.1733 -22.0041 -22.0005 -6.9587 -6.9563 5.2404 5.2429 6.9413 6.9420 7.9524 7.9557 10.4405 10.4434 12.9151 12.9292 13.3667 13.3739 13.8854 13.8904 13.8974 13.9169 k = 0.4619 0.3547-0.0000 ( 2106 PWs) bands (ev): -46.0809 -46.0809 -22.7709 -22.7662 -22.1737 -22.1724 -22.0066 -22.0025 -6.9566 -6.9538 5.2540 5.2569 6.9420 6.9428 7.9113 7.9149 10.4767 10.4800 12.8812 12.8963 13.3585 13.3667 13.8356 13.8372 13.9260 13.9426 k = 0.4571 0.3629-0.0000 ( 2106 PWs) bands (ev): -46.0807 -46.0807 -22.7710 -22.7658 -22.1728 -22.1714 -22.0093 -22.0047 -6.9542 -6.9512 5.2694 5.2727 6.9428 6.9437 7.8661 7.8701 10.5168 10.5204 12.8462 12.8619 13.3490 13.3583 13.7776 13.7789 13.9577 13.9744 k = 0.4524 0.3712-0.0000 ( 2110 PWs) bands (ev): -46.0805 -46.0805 -22.7712 -22.7654 -22.1719 -22.1703 -22.0123 -22.0072 -6.9516 -6.9483 5.2866 5.2902 6.9437 6.9446 7.8172 7.8216 10.5603 10.5643 12.8103 12.8266 13.3381 13.3486 13.7167 13.7185 13.9901 14.0072 k = 0.4476 0.3794-0.0000 ( 2114 PWs) bands (ev): -46.0803 -46.0803 -22.7713 -22.7650 -22.1708 -22.1691 -22.0155 -22.0099 -6.9488 -6.9451 5.3055 5.3094 6.9446 6.9456 7.7652 7.7698 10.6071 10.6115 12.7740 12.7908 13.3257 13.3375 13.6542 13.6567 14.0229 14.0404 k = 0.4429 0.3876-0.0000 ( 2114 PWs) bands (ev): -46.0801 -46.0801 -22.7715 -22.7646 -22.1696 -22.1678 -22.0189 -22.0128 -6.9458 -6.9418 5.3260 5.3304 6.9456 6.9467 7.7103 7.7152 10.6568 10.6615 12.7377 12.7548 13.3114 13.3248 13.5909 13.5944 14.0556 14.0735 k = 0.4381 0.3959-0.0000 ( 2118 PWs) bands (ev): -46.0798 -46.0798 -22.7716 -22.7642 -22.1683 -22.1664 -22.0225 -22.0160 -6.9425 -6.9383 5.3482 5.3529 6.9466 6.9478 7.6529 7.6580 10.7093 10.7143 12.7016 12.7190 13.2950 13.3103 13.5276 13.5326 14.0880 14.1062 k = 0.4333 0.4041-0.0000 ( 2116 PWs) bands (ev): -46.0796 -46.0796 -22.7717 -22.7639 -22.1670 -22.1649 -22.0263 -22.0193 -6.9391 -6.9346 5.3721 5.3771 6.9476 6.9488 7.5934 7.5987 10.7642 10.7696 12.6660 12.6836 13.2756 13.2933 13.4653 13.4722 14.1198 14.1383 k = 0.4286 0.4124-0.0000 ( 2116 PWs) bands (ev): -46.0794 -46.0794 -22.7718 -22.7635 -22.1655 -22.1633 -22.0303 -22.0228 -6.9356 -6.9307 5.3975 5.4028 6.9486 6.9499 7.5322 7.5376 10.8214 10.8272 12.6310 12.6489 13.2520 13.2726 13.4057 13.4150 14.1508 14.1696 k = 0.4238 0.4206-0.0000 ( 2114 PWs) bands (ev): -46.0791 -46.0791 -22.7719 -22.7631 -22.1639 -22.1617 -22.0344 -22.0265 -6.9319 -6.9268 5.4244 5.4301 6.9496 6.9510 7.4694 7.4751 10.8807 10.8868 12.5970 12.6150 13.2225 13.2456 13.3517 13.3631 14.1810 14.2000 k = 0.4190 0.4289-0.0000 ( 2114 PWs) bands (ev): -46.0788 -46.0788 -22.7720 -22.7628 -22.1622 -22.1599 -22.0387 -22.0303 -6.9281 -6.9228 5.4527 5.4588 6.9505 6.9520 7.4055 7.4113 10.9417 10.9483 12.5639 12.5821 13.1850 13.2085 13.3072 13.3186 14.2100 14.2292 k = 0.4143 0.4371-0.0000 ( 2114 PWs) bands (ev): -46.0786 -46.0786 -22.7722 -22.7624 -22.1604 -22.1581 -22.0430 -22.0342 -6.9243 -6.9187 5.4825 5.4889 6.9515 6.9530 7.3408 7.3466 11.0045 11.0115 12.5320 12.5503 13.1395 13.1609 13.2731 13.2819 14.2379 14.2573 k = 0.4095 0.4454-0.0000 ( 2122 PWs) bands (ev): -46.0783 -46.0783 -22.7723 -22.7621 -22.1585 -22.1561 -22.0475 -22.0382 -6.9204 -6.9146 5.5136 5.5204 6.9523 6.9539 7.2755 7.2814 11.0686 11.0761 12.5015 12.5198 13.0884 13.1069 13.2455 13.2510 14.2645 14.2840 k = 0.4048 0.4536-0.0000 ( 2122 PWs) bands (ev): -46.0780 -46.0780 -22.7724 -22.7619 -22.1565 -22.1541 -22.0520 -22.0422 -6.9165 -6.9105 5.5460 5.5531 6.9532 6.9548 7.2099 7.2159 11.1339 11.1419 12.4723 12.4908 13.0343 13.0505 13.2205 13.2232 14.2897 14.3093 k = 0.4000 0.4619-0.0000 ( 2118 PWs) bands (ev): -46.0778 -46.0778 -22.7725 -22.7616 -22.1544 -22.1521 -22.0566 -22.0463 -6.9126 -6.9064 5.5795 5.5870 6.9539 6.9555 7.1444 7.1504 11.2000 11.2087 12.4447 12.4632 12.9793 12.9939 13.1964 13.1969 14.3134 14.3332 k = 0.3952 0.4701-0.0000 ( 2118 PWs) bands (ev): -46.0775 -46.0775 -22.7727 -22.7614 -22.1522 -22.1499 -22.0612 -22.0505 -6.9088 -6.9024 5.6141 5.6219 6.9545 6.9560 7.0792 7.0853 11.2668 11.2762 12.4186 12.4372 12.9245 12.9382 13.1711 13.1722 14.3356 14.3555 k = 0.3905 0.4784-0.0000 ( 2118 PWs) bands (ev): -46.0773 -46.0773 -22.7728 -22.7612 -22.1499 -22.1477 -22.0658 -22.0546 -6.9050 -6.8984 5.6496 5.6578 6.9546 6.9560 7.0149 7.0212 11.3339 11.3440 12.3943 12.4129 12.8708 12.8839 13.1454 13.1477 14.3563 14.3763 k = 0.3857 0.4866-0.0000 ( 2116 PWs) bands (ev): -46.0770 -46.0770 -22.7730 -22.7610 -22.1475 -22.1455 -22.0704 -22.0587 -6.9014 -6.8946 5.6860 5.6946 6.9452 6.9470 6.9610 6.9668 11.4009 11.4119 12.3717 12.3904 12.8187 12.8318 13.1193 13.1227 14.3753 14.3954 k = 0.3810 0.4949-0.0000 ( 2116 PWs) bands (ev): -46.0768 -46.0768 -22.7731 -22.7609 -22.1451 -22.1433 -22.0749 -22.0627 -6.8979 -6.8910 5.7229 5.7320 6.8867 6.8915 6.9573 6.9601 11.4672 11.4792 12.3510 12.3696 12.7688 12.7821 13.0930 13.0971 14.3928 14.4129 k = 0.3762 0.5031-0.0000 ( 2114 PWs) bands (ev): -46.0765 -46.0765 -22.7733 -22.7607 -22.1425 -22.1410 -22.0794 -22.0666 -6.8946 -6.8875 5.7603 5.7698 6.8260 6.8308 6.9574 6.9598 11.5323 11.5455 12.3321 12.3507 12.7215 12.7353 13.0664 13.0711 14.4085 14.4287 k = 0.3714 0.5114-0.0000 ( 2114 PWs) bands (ev): -46.0763 -46.0763 -22.7734 -22.7607 -22.1399 -22.1387 -22.0839 -22.0704 -6.8915 -6.8843 5.7977 5.8077 6.7670 6.7717 6.9576 6.9600 11.5954 11.6100 12.3151 12.3338 12.6775 12.6922 13.0396 13.0447 14.4226 14.4428 k = 0.3667 0.5196-0.0000 ( 2110 PWs) bands (ev): -46.0761 -46.0761 -22.7736 -22.7606 -22.1371 -22.1365 -22.0883 -22.0740 -6.8886 -6.8813 5.8349 5.8454 6.7105 6.7149 6.9578 6.9601 11.6556 11.6718 12.3001 12.3187 12.6373 12.6532 13.0127 13.0182 14.4349 14.4553 k = 0.3619 0.5279-0.0000 ( 2106 PWs) bands (ev): -46.0760 -46.0760 -22.7737 -22.7605 -22.1344 -22.1343 -22.0925 -22.0774 -6.8860 -6.8786 5.8712 5.8823 6.6571 6.6611 6.9579 6.9603 11.7117 11.7297 12.2870 12.3057 12.6017 12.6192 12.9862 12.9918 14.4456 14.4660 k = 0.3571 0.5361-0.0000 ( 2106 PWs) bands (ev): -46.0758 -46.0758 -22.7739 -22.7605 -22.1324 -22.1315 -22.0967 -22.0805 -6.8837 -6.8762 5.9059 5.9176 6.6077 6.6112 6.9580 6.9604 11.7623 11.7823 12.2760 12.2946 12.5718 12.5911 12.9604 12.9661 14.4546 14.4750 k = 0.3524 0.5444-0.0000 ( 2110 PWs) bands (ev): -46.0757 -46.0757 -22.7740 -22.7605 -22.1305 -22.1285 -22.1007 -22.0833 -6.8818 -6.8742 5.9381 5.9504 6.5634 6.5663 6.9580 6.9604 11.8058 11.8279 12.2669 12.2855 12.5484 12.5697 12.9359 12.9416 14.4619 14.4823 k = 0.3476 0.5526-0.0000 ( 2106 PWs) bands (ev): -46.0756 -46.0756 -22.7741 -22.7605 -22.1290 -22.1255 -22.1045 -22.0856 -6.8802 -6.8726 5.9661 5.9792 6.5258 6.5281 6.9580 6.9604 11.8407 11.8646 12.2599 12.2784 12.5322 12.5555 12.9137 12.9193 14.4676 14.4880 k = 0.3429 0.5609-0.0000 ( 2102 PWs) bands (ev): -46.0755 -46.0755 -22.7742 -22.7605 -22.1278 -22.1225 -22.1081 -22.0873 -6.8790 -6.8714 5.9883 6.0021 6.4967 6.4983 6.9580 6.9604 11.8656 11.8911 12.2549 12.2734 12.5232 12.5483 12.8953 12.9006 14.4716 14.4920 k = 0.3381 0.5691-0.0000 ( 2100 PWs) bands (ev): -46.0755 -46.0755 -22.7742 -22.7605 -22.1270 -22.1196 -22.1114 -22.0884 -6.8783 -6.8707 6.0026 6.0169 6.4782 6.4794 6.9580 6.9604 11.8802 11.9066 12.2519 12.2704 12.5201 12.5463 12.8824 12.8875 14.4739 14.4944 k = 0.3333 0.5774-0.0000 ( 2100 PWs) bands (ev): -46.0755 -46.0755 -22.7743 -22.7605 -22.1268 -22.1180 -22.1132 -22.0887 -6.8781 -6.8704 6.0075 6.0220 6.4719 6.4728 6.9580 6.9604 11.8848 11.9115 12.2509 12.2694 12.5200 12.5465 12.8775 12.8826 14.4747 14.4952 k = 0.3333 0.5774-0.0000 ( 2100 PWs) bands (ev): -46.0755 -46.0755 -22.7743 -22.7605 -22.1268 -22.1180 -22.1132 -22.0887 -6.8781 -6.8704 6.0075 6.0220 6.4719 6.4728 6.9580 6.9604 11.8848 11.9115 12.2509 12.2694 12.5200 12.5465 12.8775 12.8826 14.4747 14.4952 k = 0.3286 0.5691-0.0000 ( 2100 PWs) bands (ev): -46.0755 -46.0755 -22.7742 -22.7605 -22.1270 -22.1196 -22.1114 -22.0884 -6.8783 -6.8707 6.0028 6.0171 6.4781 6.4792 6.9580 6.9604 11.8807 11.9072 12.2519 12.2704 12.5188 12.5450 12.8831 12.8883 14.4740 14.4944 k = 0.3238 0.5609-0.0000 ( 2104 PWs) bands (ev): -46.0755 -46.0755 -22.7742 -22.7605 -22.1277 -22.1223 -22.1083 -22.0873 -6.8791 -6.8715 5.9896 6.0035 6.4955 6.4971 6.9581 6.9604 11.8695 11.8954 12.2548 12.2733 12.5133 12.5385 12.9006 12.9061 14.4717 14.4921 k = 0.3190 0.5526-0.0000 ( 2104 PWs) bands (ev): -46.0756 -46.0756 -22.7740 -22.7605 -22.1287 -22.1250 -22.1050 -22.0857 -6.8805 -6.8729 5.9702 5.9834 6.5221 6.5243 6.9582 6.9606 11.8529 11.8780 12.2596 12.2780 12.5019 12.5259 12.9296 12.9356 14.4679 14.4883 k = 0.3143 0.5444-0.0000 ( 2108 PWs) bands (ev): -46.0757 -46.0757 -22.7739 -22.7604 -22.1300 -22.1276 -22.1015 -22.0836 -6.8824 -6.8748 5.9468 5.9594 6.5557 6.5584 6.9585 6.9608 11.8322 11.8566 12.2662 12.2845 12.4848 12.5075 12.9681 12.9745 14.4626 14.4831 k = 0.3095 0.5361-0.0000 ( 2114 PWs) bands (ev): -46.0759 -46.0759 -22.7736 -22.7602 -22.1314 -22.1300 -22.0979 -22.0812 -6.8849 -6.8774 5.9214 5.9332 6.5942 6.5975 6.9589 6.9612 11.8087 11.8323 12.2745 12.2927 12.4633 12.4848 13.0137 13.0204 14.4560 14.4764 k = 0.3048 0.5279-0.0000 ( 2112 PWs) bands (ev): -46.0761 -46.0761 -22.7733 -22.7601 -22.1329 -22.1322 -22.0943 -22.0784 -6.8880 -6.8806 5.8952 5.9065 6.6364 6.6402 6.9594 6.9618 11.7831 11.8059 12.2846 12.3025 12.4387 12.4591 13.0641 13.0709 14.4480 14.4684 k = 0.3000 0.5196-0.0000 ( 2108 PWs) bands (ev): -46.0763 -46.0763 -22.7729 -22.7598 -22.1344 -22.1342 -22.0905 -22.0755 -6.8918 -6.8845 5.8694 5.8802 6.6812 6.6854 6.9602 6.9625 11.7561 11.7782 12.2962 12.3135 12.4123 12.4315 13.1173 13.1241 14.4387 14.4591 k = 0.2952 0.5114-0.0000 ( 2108 PWs) bands (ev): -46.0766 -46.0766 -22.7724 -22.7595 -22.1360 -22.1358 -22.0868 -22.0723 -6.8963 -6.8890 5.8447 5.8549 6.7280 6.7325 6.9611 6.9635 11.7279 11.7495 12.3092 12.3250 12.3859 12.4030 13.1720 13.1787 14.4282 14.4485 k = 0.2905 0.5031-0.0000 ( 2108 PWs) bands (ev): -46.0770 -46.0770 -22.7718 -22.7592 -22.1375 -22.1371 -22.0829 -22.0690 -6.9014 -6.8942 5.8216 5.8313 6.7760 6.7808 6.9623 6.9647 11.6990 11.7200 12.3228 12.3316 12.3652 12.3749 13.2270 13.2336 14.4164 14.4367 k = 0.2857 0.4949-0.0000 ( 2112 PWs) bands (ev): -46.0773 -46.0773 -22.7711 -22.7587 -22.1389 -22.1383 -22.0791 -22.0655 -6.9072 -6.9002 5.8004 5.8097 6.8250 6.8300 6.9639 6.9663 11.6695 11.6899 12.3169 12.3304 12.3543 12.3673 13.2814 13.2879 14.4035 14.4238 k = 0.2810 0.4866-0.0000 ( 2116 PWs) bands (ev): -46.0777 -46.0777 -22.7703 -22.7582 -22.1400 -22.1393 -22.0751 -22.0620 -6.9137 -6.9068 5.7814 5.7903 6.8746 6.8796 6.9658 6.9683 11.6395 11.6594 12.2912 12.3105 12.3630 12.3821 13.3346 13.3411 14.3895 14.4097 k = 0.2762 0.4784-0.0000 ( 2104 PWs) bands (ev): -46.0782 -46.0782 -22.7694 -22.7576 -22.1410 -22.1402 -22.0712 -22.0583 -6.9209 -6.9142 5.7649 5.7734 6.9240 6.9287 6.9686 6.9716 11.6090 11.6283 12.2642 12.2834 12.3808 12.4003 13.3862 13.3925 14.3745 14.3946 k = 0.2714 0.4701-0.0000 ( 2104 PWs) bands (ev): -46.0787 -46.0787 -22.7684 -22.7569 -22.1417 -22.1409 -22.0672 -22.0546 -6.9288 -6.9222 5.7509 5.7591 6.9643 6.9657 6.9811 6.9875 11.5780 11.5968 12.2378 12.2565 12.4008 12.4202 13.4355 13.4417 14.3585 14.3786 k = 0.2667 0.4619-0.0000 ( 2104 PWs) bands (ev): -46.0793 -46.0793 -22.7673 -22.7560 -22.1422 -22.1415 -22.0631 -22.0509 -6.9374 -6.9310 5.7398 5.7476 6.9712 6.9727 7.0274 7.0337 11.5466 11.5647 12.2124 12.2306 12.4221 12.4414 13.4823 13.4884 14.3415 14.3615 k = 0.2619 0.4536-0.0000 ( 2104 PWs) bands (ev): -46.0799 -46.0799 -22.7661 -22.7551 -22.1425 -22.1419 -22.0590 -22.0470 -6.9468 -6.9405 5.7314 5.7389 6.9748 6.9764 7.0772 7.0834 11.5145 11.5320 12.1885 12.2061 12.4446 12.4639 13.5262 13.5322 14.3237 14.3437 k = 0.2571 0.4454-0.0000 ( 2104 PWs) bands (ev): -46.0805 -46.0805 -22.7647 -22.7541 -22.1425 -22.1421 -22.0549 -22.0432 -6.9568 -6.9507 5.7260 5.7331 6.9785 6.9802 7.1270 7.1333 11.4819 11.4987 12.1663 12.1832 12.4682 12.4873 13.5670 13.5729 14.3051 14.3250 k = 0.2524 0.4371-0.0000 ( 2104 PWs) bands (ev): -46.0812 -46.0812 -22.7633 -22.7530 -22.1424 -22.1421 -22.0508 -22.0393 -6.9676 -6.9617 5.7235 5.7303 6.9826 6.9842 7.1765 7.1828 11.4486 11.4647 12.1459 12.1622 12.4927 12.5117 13.6044 13.6103 14.2857 14.3055 k = 0.2476 0.4289-0.0000 ( 2104 PWs) bands (ev): -46.0819 -46.0819 -22.7617 -22.7517 -22.1421 -22.1419 -22.0466 -22.0353 -6.9790 -6.9733 5.7241 5.7305 6.9870 6.9887 7.2256 7.2318 11.4146 11.4300 12.1276 12.1432 12.5180 12.5370 13.6383 13.6441 14.2656 14.2854 k = 0.2429 0.4206-0.0000 ( 2104 PWs) bands (ev): -46.0827 -46.0827 -22.7600 -22.7504 -22.1415 -22.1415 -22.0424 -22.0314 -6.9911 -6.9856 5.7277 5.7338 6.9919 6.9936 7.2740 7.2803 11.3799 11.3945 12.1115 12.1263 12.5440 12.5629 13.6685 13.6742 14.2449 14.2646 k = 0.2381 0.4124-0.0000 ( 2108 PWs) bands (ev): -46.0835 -46.0835 -22.7582 -22.7489 -22.1409 -22.1408 -22.0381 -22.0273 -7.0039 -6.9985 5.7343 5.7402 6.9973 6.9989 7.3217 7.3279 11.3445 11.3582 12.0975 12.1116 12.5706 12.5895 13.6948 13.7005 14.2236 14.2432 k = 0.2333 0.4041-0.0000 ( 2104 PWs) bands (ev): -46.0843 -46.0843 -22.7562 -22.7474 -22.1402 -22.1398 -22.0338 -22.0233 -7.0173 -7.0122 5.7441 5.7496 7.0032 7.0047 7.3685 7.3747 11.3082 11.3211 12.0859 12.0992 12.5978 12.6166 13.7173 13.7228 14.2017 14.2213 k = 0.2286 0.3959-0.0000 ( 2104 PWs) bands (ev): -46.0852 -46.0852 -22.7542 -22.7457 -22.1392 -22.1387 -22.0296 -22.0193 -7.0314 -7.0264 5.7569 5.7621 7.0095 7.0110 7.4143 7.4206 11.2712 11.2833 12.0766 12.0890 12.6254 12.6441 13.7357 13.7411 14.1794 14.1989 k = 0.2238 0.3876-0.0000 ( 2112 PWs) bands (ev): -46.0862 -46.0862 -22.7521 -22.7440 -22.1381 -22.1374 -22.0252 -22.0152 -7.0461 -7.0413 5.7728 5.7777 7.0163 7.0178 7.4592 7.4653 11.2335 11.2447 12.0697 12.0812 12.6534 12.6720 13.7501 13.7555 14.1567 14.1761 k = 0.2190 0.3794-0.0000 ( 2112 PWs) bands (ev): -46.0872 -46.0872 -22.7498 -22.7421 -22.1368 -22.1359 -22.0209 -22.0111 -7.0613 -7.0567 5.7917 5.7964 7.0237 7.0251 7.5028 7.5089 11.1950 11.2054 12.0650 12.0758 12.6816 12.7002 13.7605 13.7657 14.1337 14.1530 k = 0.2143 0.3712-0.0000 ( 2112 PWs) bands (ev): -46.0882 -46.0882 -22.7475 -22.7402 -22.1353 -22.1343 -22.0165 -22.0070 -7.0771 -7.0727 5.8138 5.8181 7.0315 7.0329 7.5453 7.5513 11.1558 11.1653 12.0626 12.0726 12.7100 12.7285 13.7669 13.7720 14.1103 14.1295 k = 0.2095 0.3629-0.0000 ( 2104 PWs) bands (ev): -46.0892 -46.0892 -22.7451 -22.7382 -22.1336 -22.1324 -22.0122 -22.0029 -7.0934 -7.0892 5.8388 5.8428 7.0398 7.0411 7.5864 7.5924 11.1159 11.1247 12.0625 12.0716 12.7385 12.7569 13.7693 13.7743 14.0866 14.1058 k = 0.2048 0.3547-0.0000 ( 2104 PWs) bands (ev): -46.0903 -46.0903 -22.7427 -22.7361 -22.1317 -22.1304 -22.0077 -21.9988 -7.1102 -7.1062 5.8667 5.8705 7.0487 7.0499 7.6261 7.6320 11.0754 11.0834 12.0646 12.0729 12.7670 12.7853 13.7679 13.7727 14.0628 14.0819 k = 0.2000 0.3464-0.0000 ( 2100 PWs) bands (ev): -46.0914 -46.0914 -22.7401 -22.7339 -22.1297 -22.1283 -22.0033 -21.9946 -7.1274 -7.1236 5.8976 5.9012 7.0580 7.0592 7.6644 7.6702 11.0343 11.0416 12.0687 12.0764 12.7954 12.8136 13.7627 13.7673 14.0388 14.0578 k = 0.1952 0.3382-0.0000 ( 2104 PWs) bands (ev): -46.0925 -46.0925 -22.7376 -22.7317 -22.1276 -22.1260 -21.9989 -21.9905 -7.1451 -7.1415 5.9314 5.9347 7.0678 7.0690 7.7011 7.7068 10.9927 10.9993 12.0749 12.0819 12.8237 12.8418 13.7539 13.7584 14.0147 14.0337 k = 0.1905 0.3299-0.0000 ( 2104 PWs) bands (ev): -46.0937 -46.0937 -22.7349 -22.7294 -22.1252 -22.1236 -21.9944 -21.9863 -7.1631 -7.1597 5.9680 5.9710 7.0781 7.0792 7.7363 7.7419 10.9505 10.9564 12.0832 12.0894 12.8517 12.8696 13.7417 13.7459 13.9906 14.0094 k = 0.1857 0.3217-0.0000 ( 2108 PWs) bands (ev): -46.0949 -46.0949 -22.7323 -22.7271 -22.1228 -22.1210 -21.9899 -21.9821 -7.1815 -7.1783 6.0074 6.0102 7.0888 7.0899 7.7698 7.7753 10.9078 10.9131 12.0933 12.0989 12.8794 12.8972 13.7263 13.7302 13.9665 13.9852 k = 0.1810 0.3134-0.0000 ( 2108 PWs) bands (ev): -46.0961 -46.0961 -22.7296 -22.7247 -22.1202 -22.1183 -21.9854 -21.9779 -7.2002 -7.1972 6.0495 6.0520 7.1000 7.1010 7.8017 7.8070 10.8646 10.8694 12.1052 12.1102 12.9067 12.9244 13.7078 13.7115 13.9424 13.9610 k = 0.1762 0.3052-0.0000 ( 2108 PWs) bands (ev): -46.0973 -46.0973 -22.7269 -22.7224 -22.1174 -22.1155 -21.9809 -21.9737 -7.2191 -7.2163 6.0942 6.0965 7.1116 7.1125 7.8319 7.8371 10.8211 10.8253 12.1189 12.1234 12.9335 12.9511 13.6866 13.6900 13.9183 13.9369 k = 0.1714 0.2969-0.0000 ( 2102 PWs) bands (ev): -46.0985 -46.0985 -22.7242 -22.7200 -22.1146 -22.1126 -21.9763 -21.9694 -7.2383 -7.2357 6.1414 6.1435 7.1235 7.1245 7.8603 7.8654 10.7771 10.7809 12.1343 12.1382 12.9599 12.9773 13.6628 13.6660 13.8945 13.9128 k = 0.1667 0.2887-0.0000 ( 2102 PWs) bands (ev): -46.0998 -46.0998 -22.7215 -22.7176 -22.1116 -22.1096 -21.9717 -21.9652 -7.2576 -7.2552 6.1911 6.1929 7.1359 7.1368 7.8871 7.8920 10.7328 10.7361 12.1512 12.1546 12.9857 13.0029 13.6369 13.6398 13.8708 13.8890 k = 0.1619 0.2804-0.0000 ( 2102 PWs) bands (ev): -46.1010 -46.1010 -22.7188 -22.7152 -22.1086 -22.1066 -21.9671 -21.9609 -7.2771 -7.2748 6.2432 6.2448 7.1486 7.1494 7.9121 7.9169 10.6881 10.6910 12.1696 12.1726 13.0108 13.0279 13.6091 13.6117 13.8473 13.8653 k = 0.1571 0.2722-0.0000 ( 2094 PWs) bands (ev): -46.1023 -46.1023 -22.7161 -22.7128 -22.1055 -22.1035 -21.9625 -21.9566 -7.2966 -7.2945 6.2976 6.2989 7.1616 7.1624 7.9354 7.9400 10.6431 10.6457 12.1894 12.1919 13.0353 13.0521 13.5797 13.5821 13.8241 13.8419 k = 0.1524 0.2639-0.0000 ( 2094 PWs) bands (ev): -46.1036 -46.1036 -22.7135 -22.7104 -22.1023 -22.1003 -21.9579 -21.9523 -7.3162 -7.3142 6.3541 6.3552 7.1748 7.1756 7.9570 7.9615 10.5979 10.6001 12.2105 12.2126 13.0591 13.0757 13.5491 13.5512 13.8012 13.8188 k = 0.1476 0.2557-0.0000 ( 2096 PWs) bands (ev): -46.1049 -46.1049 -22.7109 -22.7081 -22.0990 -22.0971 -21.9532 -21.9480 -7.3357 -7.3339 6.4126 6.4136 7.1884 7.1891 7.9769 7.9813 10.5525 10.5544 12.2327 12.2345 13.0821 13.0984 13.5175 13.5193 13.7786 13.7960 k = 0.1429 0.2474-0.0000 ( 2092 PWs) bands (ev): -46.1061 -46.1061 -22.7083 -22.7058 -22.0958 -22.0939 -21.9486 -21.9437 -7.3552 -7.3536 6.4731 6.4739 7.2021 7.2028 7.9952 7.9994 10.5069 10.5086 12.2560 12.2575 13.1043 13.1204 13.4853 13.4868 13.7564 13.7736 k = 0.1381 0.2392-0.0000 ( 2088 PWs) bands (ev): -46.1074 -46.1074 -22.7058 -22.7035 -22.0925 -22.0906 -21.9439 -21.9393 -7.3746 -7.3731 6.5354 6.5360 7.2160 7.2166 8.0119 8.0159 10.4613 10.4627 12.2802 12.2814 13.1257 13.1415 13.4527 13.4540 13.7347 13.7516 k = 0.1333 0.2309-0.0000 ( 2092 PWs) bands (ev): -46.1087 -46.1087 -22.7034 -22.7013 -22.0891 -22.0874 -21.9392 -21.9350 -7.3939 -7.3925 6.5993 6.5997 7.2300 7.2306 8.0271 8.0309 10.4156 10.4168 12.3053 12.3062 13.1462 13.1617 13.4201 13.4211 13.7134 13.7300 k = 0.1286 0.2227-0.0000 ( 2096 PWs) bands (ev): -46.1099 -46.1099 -22.7010 -22.6991 -22.0858 -22.0842 -21.9345 -21.9306 -7.4129 -7.4117 6.6648 6.6650 7.2441 7.2447 8.0408 8.0444 10.3700 10.3710 12.3311 12.3317 13.1659 13.1810 13.3877 13.3884 13.6926 13.7089 k = 0.1238 0.2144-0.0000 ( 2100 PWs) bands (ev): -46.1112 -46.1112 -22.6987 -22.6970 -22.0825 -22.0810 -21.9298 -21.9263 -7.4318 -7.4306 6.7316 6.7317 7.2583 7.2588 8.0530 8.0565 10.3245 10.3254 12.3574 12.3578 13.1847 13.1993 13.3559 13.3562 13.6723 13.6883 k = 0.1190 0.2062-0.0000 ( 2094 PWs) bands (ev): -46.1124 -46.1124 -22.6965 -22.6950 -22.0793 -22.0778 -21.9252 -21.9219 -7.4503 -7.4493 6.7996 6.7996 7.2725 7.2730 8.0639 8.0673 10.2793 10.2800 12.3841 12.3844 13.2026 13.2166 13.3247 13.3248 13.6526 13.6682 k = 0.1143 0.1979-0.0000 ( 2090 PWs) bands (ev): -46.1136 -46.1136 -22.6944 -22.6930 -22.0761 -22.0747 -21.9205 -21.9176 -7.4685 -7.4676 6.8685 6.8687 7.2866 7.2871 8.0735 8.0767 10.2344 10.2350 12.4111 12.4112 13.2196 13.2326 13.2940 13.2949 13.6335 13.6487 k = 0.1095 0.1897-0.0000 ( 2094 PWs) bands (ev): -46.1148 -46.1148 -22.6923 -22.6911 -22.0729 -22.0717 -21.9159 -21.9133 -7.4863 -7.4855 6.9382 6.9386 7.3006 7.3011 8.0820 8.0850 10.1900 10.1905 12.4382 12.4383 13.2357 13.2447 13.2643 13.2689 13.6149 13.6298 k = 0.1048 0.1815-0.0000 ( 2094 PWs) bands (ev): -46.1159 -46.1159 -22.6903 -22.6893 -22.0699 -22.0687 -21.9114 -21.9090 -7.5037 -7.5030 7.0086 7.0091 7.3146 7.3150 8.0893 8.0922 10.1461 10.1465 12.4651 12.4653 13.2323 13.2355 13.2511 13.2677 13.5970 13.6115 k = 0.1000 0.1732-0.0000 ( 2090 PWs) bands (ev): -46.1171 -46.1171 -22.6885 -22.6876 -22.0669 -22.0658 -21.9068 -21.9047 -7.5207 -7.5201 7.0795 7.0801 7.3283 7.3288 8.0956 8.0983 10.1029 10.1033 12.4918 12.4921 13.2067 13.2082 13.2653 13.2799 13.5797 13.5938 k = 0.0952 0.1650-0.0000 ( 2094 PWs) bands (ev): -46.1182 -46.1182 -22.6867 -22.6859 -22.0640 -22.0630 -21.9024 -21.9006 -7.5372 -7.5366 7.1504 7.1512 7.3419 7.3423 8.1009 8.1034 10.0606 10.0609 12.5181 12.5185 13.1812 13.1822 13.2787 13.2924 13.5629 13.5768 k = 0.0905 0.1567-0.0000 ( 2088 PWs) bands (ev): -46.1192 -46.1192 -22.6850 -22.6843 -22.0612 -22.0603 -21.8980 -21.8964 -7.5531 -7.5526 7.2212 7.2221 7.3553 7.3558 8.1053 8.1077 10.0192 10.0194 12.5437 12.5442 13.1569 13.1575 13.2912 13.3042 13.5450 13.5571 k = 0.0857 0.1485-0.0000 ( 2090 PWs) bands (ev): -46.1202 -46.1202 -22.6834 -22.6828 -22.0585 -22.0578 -21.8938 -21.8924 -7.5684 -7.5680 7.2914 7.2925 7.3686 7.3693 8.1090 8.1113 9.9788 9.9790 12.5685 12.5691 13.1338 13.1342 13.3027 13.3151 13.4812 13.4814 k = 0.0810 0.1402-0.0000 ( 2086 PWs) bands (ev): -46.1212 -46.1212 -22.6819 -22.6814 -22.0559 -22.0553 -21.8896 -21.8884 -7.5832 -7.5828 7.3578 7.3598 7.3840 7.3855 8.1119 8.1141 9.9396 9.9398 12.5921 12.5927 13.1122 13.1123 13.3131 13.3247 13.4058 13.4063 k = 0.0762 0.1320-0.0000 ( 2091 PWs) bands (ev): -46.1222 -46.1222 -22.6805 -22.6801 -22.0535 -22.0530 -21.8856 -21.8846 -7.5973 -7.5970 7.3894 7.3901 7.4353 7.4353 8.1143 8.1162 9.9017 9.9019 12.6143 12.6149 13.0918 13.0919 13.3177 13.3228 13.3382 13.3443 k = 0.0714 0.1237-0.0000 ( 2087 PWs) bands (ev): -46.1231 -46.1231 -22.6792 -22.6788 -22.0512 -22.0508 -21.8817 -21.8809 -7.6107 -7.6104 7.4025 7.4027 7.5019 7.5024 8.1160 8.1179 9.8653 9.8654 12.6344 12.6350 13.0727 13.0731 13.2601 13.2606 13.3348 13.3456 k = 0.0667 0.1155-0.0000 ( 2087 PWs) bands (ev): -46.1239 -46.1239 -22.6779 -22.6777 -22.0490 -22.0487 -21.8780 -21.8773 -7.6234 -7.6232 7.4140 7.4141 7.5682 7.5688 8.1173 8.1190 9.8304 9.8305 12.6521 12.6527 13.0550 13.0556 13.1946 13.1955 13.3427 13.3528 k = 0.0619 0.1072-0.0000 ( 2083 PWs) bands (ev): -46.1247 -46.1247 -22.6768 -22.6766 -22.0470 -22.0467 -21.8744 -21.8738 -7.6354 -7.6352 7.4247 7.4247 7.6328 7.6335 8.1183 8.1198 9.7972 9.7973 12.6664 12.6670 13.0384 13.0395 13.1337 13.1351 13.3503 13.3598 k = 0.0571 0.0990-0.0000 ( 2083 PWs) bands (ev): -46.1255 -46.1255 -22.6758 -22.6756 -22.0451 -22.0449 -21.8710 -21.8706 -7.6466 -7.6464 7.4347 7.4347 7.6952 7.6959 8.1188 8.1202 9.7658 9.7659 12.6764 12.6770 13.0228 13.0247 13.0790 13.0812 13.3573 13.3661 k = 0.0524 0.0907-0.0000 ( 2089 PWs) bands (ev): -46.1262 -46.1262 -22.6748 -22.6747 -22.0434 -22.0432 -21.8679 -21.8675 -7.6570 -7.6569 7.4441 7.4441 7.7550 7.7557 8.1191 8.1204 9.7363 9.7364 12.6808 12.6813 13.0067 13.0107 13.0326 13.0368 13.3636 13.3716 k = 0.0476 0.0825-0.0000 ( 2095 PWs) bands (ev): -46.1268 -46.1268 -22.6740 -22.6739 -22.0418 -22.0417 -21.8649 -21.8647 -7.6665 -7.6665 7.4527 7.4527 7.8117 7.8125 8.1192 8.1203 9.7088 9.7089 12.6781 12.6786 12.9853 12.9902 13.0031 13.0083 13.3692 13.3764 k = 0.0429 0.0742-0.0000 ( 2097 PWs) bands (ev): -46.1274 -46.1274 -22.6732 -22.6731 -22.0404 -22.0403 -21.8622 -21.8620 -7.6753 -7.6752 7.4606 7.4606 7.8649 7.8657 8.1191 8.1201 9.6835 9.6835 12.6677 12.6681 12.9618 12.9641 12.9909 12.9935 13.3741 13.3805 k = 0.0381 0.0660-0.0000 ( 2099 PWs) bands (ev): -46.1280 -46.1280 -22.6725 -22.6725 -22.0391 -22.0390 -21.8598 -21.8596 -7.6832 -7.6831 7.4678 7.4678 7.9142 7.9149 8.1189 8.1198 9.6604 9.6604 12.6503 12.6506 12.9450 12.9463 12.9816 12.9831 13.3783 13.3838 k = 0.0333 0.0577-0.0000 ( 2101 PWs) bands (ev): -46.1284 -46.1284 -22.6719 -22.6719 -22.0380 -22.0379 -21.8576 -21.8575 -7.6901 -7.6901 7.4742 7.4742 7.9590 7.9596 8.1187 8.1195 9.6397 9.6397 12.6281 12.6283 12.9352 12.9361 12.9739 12.9749 13.3818 13.3863 k = 0.0286 0.0495-0.0000 ( 2099 PWs) bands (ev): -46.1289 -46.1289 -22.6714 -22.6714 -22.0370 -22.0370 -21.8557 -21.8556 -7.6962 -7.6962 7.4798 7.4798 7.9989 7.9995 8.1185 8.1192 9.6214 9.6214 12.6038 12.6039 12.9305 12.9311 12.9678 12.9685 13.3845 13.3879 k = 0.0238 0.0412-0.0000 ( 2099 PWs) bands (ev): -46.1292 -46.1292 -22.6709 -22.6709 -22.0362 -22.0362 -21.8540 -21.8540 -7.7014 -7.7014 7.4846 7.4846 8.0335 8.0340 8.1184 8.1190 9.6057 9.6057 12.5799 12.5800 12.9286 12.9289 12.9632 12.9636 13.3864 13.3888 k = 0.0190 0.0330-0.0000 ( 2107 PWs) bands (ev): -46.1295 -46.1295 -22.6706 -22.6706 -22.0355 -22.0355 -21.8526 -21.8526 -7.7057 -7.7057 7.4885 7.4885 8.0621 8.0625 8.1185 8.1190 9.5927 9.5927 12.5583 12.5584 12.9279 12.9281 12.9601 12.9604 13.3877 13.3891 k = 0.0143 0.0247-0.0000 ( 2111 PWs) bands (ev): -46.1297 -46.1297 -22.6703 -22.6703 -22.0350 -22.0350 -21.8516 -21.8516 -7.7090 -7.7090 7.4916 7.4916 8.0843 8.0846 8.1192 8.1195 9.5825 9.5825 12.5405 12.5405 12.9276 12.9277 12.9584 12.9585 13.3881 13.3889 k = 0.0095 0.0165-0.0000 ( 2119 PWs) bands (ev): -46.1299 -46.1299 -22.6701 -22.6701 -22.0346 -22.0346 -21.8508 -21.8508 -7.7114 -7.7114 7.4938 7.4938 8.0992 8.0993 8.1209 8.1210 9.5751 9.5751 12.5271 12.5271 12.9274 12.9274 12.9575 12.9576 13.3881 13.3882 k = 0.0048 0.0082-0.0000 ( 2123 PWs) bands (ev): -46.1300 -46.1300 -22.6700 -22.6700 -22.0344 -22.0344 -21.8504 -21.8504 -7.7128 -7.7128 7.4951 7.4951 8.1065 8.1065 8.1236 8.1237 9.5706 9.5706 12.5189 12.5189 12.9271 12.9271 12.9573 12.9573 13.3879 13.3879 k = 0.0000 0.0000 0.0000 ( 2123 PWs) bands (ev): -46.1300 -46.1300 -22.6700 -22.6700 -22.0343 -22.0343 -21.8502 -21.8502 -7.7133 -7.7133 7.4956 7.4956 8.1083 8.1083 8.1252 8.1252 9.5691 9.5691 12.5162 12.5162 12.9270 12.9270 12.9572 12.9572 13.3878 13.3878 k = 0.0000 0.0000 0.0000 ( 2123 PWs) bands (ev): -46.1300 -46.1300 -22.6700 -22.6700 -22.0343 -22.0343 -21.8502 -21.8502 -7.7133 -7.7133 7.4956 7.4956 8.1083 8.1083 8.1252 8.1252 9.5691 9.5691 12.5162 12.5162 12.9270 12.9270 12.9572 12.9572 13.3878 13.3891 k = 0.0000 0.0000 0.0096 ( 2123 PWs) bands (ev): -46.1300 -46.1300 -22.6701 -22.6701 -22.0344 -22.0344 -21.8502 -21.8502 -7.7128 -7.7128 7.4892 7.4892 8.1086 8.1086 8.1253 8.1255 9.5749 9.5749 12.5189 12.5189 12.9223 12.9269 12.9545 12.9545 13.3896 13.3898 k = 0.0000 0.0000 0.0191 ( 2123 PWs) bands (ev): -46.1300 -46.1300 -22.6703 -22.6703 -22.0346 -22.0346 -21.8502 -21.8502 -7.7113 -7.7113 7.4702 7.4702 8.1092 8.1092 8.1260 8.1263 9.5917 9.5917 12.5272 12.5272 12.9128 12.9218 12.9468 12.9468 13.3950 13.3952 k = 0.0000 0.0000 0.0287 ( 2123 PWs) bands (ev): -46.1299 -46.1299 -22.6708 -22.6708 -22.0349 -22.0349 -21.8501 -21.8501 -7.7089 -7.7089 7.4392 7.4392 8.1104 8.1104 8.1271 8.1276 9.6191 9.6191 12.5410 12.5410 12.8992 12.9121 12.9343 12.9343 13.4035 13.4048 k = 0.0000 0.0000 0.0382 ( 2123 PWs) bands (ev): -46.1298 -46.1298 -22.6714 -22.6714 -22.0353 -22.0353 -21.8500 -21.8500 -7.7055 -7.7055 7.3974 7.3974 8.1120 8.1120 8.1287 8.1294 9.6561 9.6561 12.5603 12.5603 12.8818 12.8981 12.9177 12.9177 13.4145 13.4150 k = 0.0000 0.0000 0.0478 ( 2123 PWs) bands (ev): -46.1297 -46.1297 -22.6722 -22.6722 -22.0359 -22.0359 -21.8499 -21.8499 -7.7011 -7.7011 7.3459 7.3459 8.1141 8.1141 8.1308 8.1317 9.7013 9.7013 12.5850 12.5850 12.8612 12.8805 12.8977 12.8977 13.4274 13.4274 k = 0.0000 0.0000 0.0573 ( 2123 PWs) bands (ev): -46.1296 -46.1296 -22.6732 -22.6732 -22.0366 -22.0366 -21.8498 -21.8498 -7.6959 -7.6959 7.2860 7.2860 8.1167 8.1167 8.1333 8.1344 9.7535 9.7535 12.6151 12.6151 12.8381 12.8597 12.8749 12.8749 13.4416 13.4416 k = 0.0000 0.0000 0.0669 ( 2111 PWs) bands (ev): -46.1294 -46.1294 -22.6743 -22.6743 -22.0374 -22.0374 -21.8497 -21.8497 -7.6897 -7.6897 7.2190 7.2190 8.1196 8.1196 8.1363 8.1375 9.8116 9.8116 12.6506 12.6506 12.8129 12.8363 12.8498 12.8498 13.4565 13.4565 k = 0.0000 0.0000 0.0764 ( 2099 PWs) bands (ev): -46.1293 -46.1293 -22.6756 -22.6756 -22.0383 -22.0383 -21.8495 -21.8495 -7.6826 -7.6826 7.1460 7.1460 8.1231 8.1231 8.1398 8.1412 9.8743 9.8743 12.6913 12.6913 12.7859 12.8109 12.8230 12.8230 13.4717 13.4735 k = 0.0000 0.0000 0.0860 ( 2099 PWs) bands (ev): -46.1291 -46.1291 -22.6771 -22.6771 -22.0393 -22.0393 -21.8493 -21.8493 -7.6746 -7.6746 7.0682 7.0682 8.1269 8.1269 8.1436 8.1452 9.9407 9.9407 12.7372 12.7372 12.7576 12.7838 12.7950 12.7950 13.4868 13.4875 k = 0.0000 0.0000 0.0955 ( 2099 PWs) bands (ev): -46.1289 -46.1289 -22.6788 -22.6788 -22.0404 -22.0404 -21.8491 -21.8491 -7.6658 -7.6658 6.9865 6.9865 8.1311 8.1311 8.1479 8.1496 10.0099 10.0099 12.7283 12.7555 12.7651 12.7651 12.7889 12.7889 13.5016 13.5024 k = 0.0000 0.0000 0.1051 ( 2105 PWs) bands (ev): -46.1286 -46.1286 -22.6806 -22.6806 -22.0416 -22.0416 -21.8489 -21.8489 -7.6562 -7.6562 6.9017 6.9017 8.1358 8.1358 8.1526 8.1544 10.0811 10.0811 12.6983 12.7262 12.7356 12.7356 12.8447 12.8447 13.5159 13.5169 k = 0.0000 0.0000 0.1146 ( 2111 PWs) bands (ev): -46.1284 -46.1284 -22.6825 -22.6825 -22.0429 -22.0429 -21.8487 -21.8487 -7.6458 -7.6458 6.8145 6.8145 8.1407 8.1407 8.1576 8.1596 10.1537 10.1537 12.6677 12.6962 12.7052 12.7052 12.9056 12.9056 13.5292 13.5303 k = 0.0000 0.0000 0.1242 ( 2111 PWs) bands (ev): -46.1281 -46.1281 -22.6846 -22.6846 -22.0443 -22.0443 -21.8485 -21.8485 -7.6347 -7.6347 6.7256 6.7256 8.1461 8.1461 8.1630 8.1651 10.2273 10.2273 12.6369 12.6657 12.6745 12.6745 12.9713 12.9713 13.5417 13.5417 k = 0.0000 0.0000 0.1337 ( 2111 PWs) bands (ev): -46.1278 -46.1278 -22.6868 -22.6868 -22.0457 -22.0457 -21.8482 -21.8482 -7.6229 -7.6229 6.6355 6.6355 8.1517 8.1517 8.1687 8.1710 10.3013 10.3013 12.6059 12.6350 12.6436 12.6436 13.0417 13.0417 13.5533 13.5535 k = 0.0000 0.0000 0.1433 ( 2099 PWs) bands (ev): -46.1275 -46.1275 -22.6892 -22.6892 -22.0472 -22.0472 -21.8479 -21.8479 -7.6104 -7.6104 6.5446 6.5446 8.1576 8.1576 8.1747 8.1771 10.3754 10.3754 12.5749 12.6042 12.6128 12.6128 13.1164 13.1164 13.5637 13.5640 k = 0.0000 0.0000 0.1528 ( 2099 PWs) bands (ev): -46.1272 -46.1272 -22.6916 -22.6916 -22.0487 -22.0487 -21.8476 -21.8476 -7.5973 -7.5973 6.4534 6.4534 8.1638 8.1638 8.1810 8.1836 10.4493 10.4493 12.5441 12.5734 12.5822 12.5822 13.1955 13.1955 13.5730 13.5731 k = 0.0000 0.0000 0.1624 ( 2099 PWs) bands (ev): -46.1269 -46.1269 -22.6942 -22.6942 -22.0503 -22.0503 -21.8473 -21.8473 -7.5837 -7.5837 6.3623 6.3623 8.1703 8.1703 8.1876 8.1902 10.5229 10.5229 12.5135 12.5429 12.5519 12.5519 13.2787 13.2787 13.5811 13.5812 k = 0.0000 0.0000 0.1719 ( 2093 PWs) bands (ev): -46.1265 -46.1265 -22.6969 -22.6969 -22.0519 -22.0519 -21.8470 -21.8470 -7.5696 -7.5696 6.2715 6.2715 8.1769 8.1769 8.1943 8.1971 10.5959 10.5959 12.4834 12.5127 12.5221 12.5221 13.3658 13.3658 13.5881 13.5882 k = 0.0000 0.0000 0.1815 ( 2093 PWs) bands (ev): -46.1262 -46.1262 -22.6997 -22.6997 -22.0536 -22.0536 -21.8467 -21.8467 -7.5550 -7.5550 6.1813 6.1813 8.1838 8.1838 8.2013 8.2041 10.6681 10.6681 12.4538 12.4829 12.4927 12.4927 13.4564 13.4564 13.5940 13.5940 k = 0.0000 0.0000 0.1911 ( 2093 PWs) bands (ev): -46.1258 -46.1258 -22.7025 -22.7025 -22.0553 -22.0553 -21.8464 -21.8464 -7.5401 -7.5401 6.0921 6.0921 8.1907 8.1907 8.2084 8.2113 10.7395 10.7395 12.4248 12.4537 12.4640 12.4640 13.5491 13.5491 13.5989 13.6003 k = 0.0000 0.0000 0.2006 ( 2093 PWs) bands (ev): -46.1255 -46.1255 -22.7055 -22.7055 -22.0569 -22.0569 -21.8460 -21.8460 -7.5248 -7.5248 6.0040 6.0040 8.1978 8.1978 8.2156 8.2186 10.8099 10.8099 12.3964 12.4251 12.4359 12.4359 13.5975 13.5975 13.6020 13.6302 k = 0.0000 0.0000 0.2102 ( 2093 PWs) bands (ev): -46.1251 -46.1251 -22.7085 -22.7085 -22.0586 -22.0586 -21.8457 -21.8457 -7.5092 -7.5092 5.9172 5.9172 8.2050 8.2050 8.2229 8.2260 10.8792 10.8792 12.3688 12.3972 12.4086 12.4086 13.6013 13.6013 13.6043 13.6322 k = 0.0000 0.0000 0.2197 ( 2093 PWs) bands (ev): -46.1247 -46.1247 -22.7115 -22.7115 -22.0603 -22.0603 -21.8454 -21.8454 -7.4934 -7.4934 5.8321 5.8321 8.2123 8.2123 8.2303 8.2334 10.9472 10.9472 12.3421 12.3701 12.3822 12.3822 13.6025 13.6025 13.6055 13.6330 k = 0.0000 0.0000 0.2293 ( 2093 PWs) bands (ev): -46.1244 -46.1244 -22.7146 -22.7146 -22.0619 -22.0619 -21.8450 -21.8450 -7.4775 -7.4775 5.7487 5.7487 8.2195 8.2195 8.2378 8.2409 11.0140 11.0140 12.3162 12.3439 12.3567 12.3567 13.6023 13.6023 13.6057 13.6327 k = 0.0000 0.0000 0.2388 ( 2093 PWs) bands (ev): -46.1240 -46.1240 -22.7177 -22.7177 -22.0636 -22.0636 -21.8447 -21.8447 -7.4614 -7.4614 5.6672 5.6672 8.2268 8.2268 8.2452 8.2484 11.0795 11.0795 12.2913 12.3185 12.3321 12.3321 13.6010 13.6010 13.6048 13.6313 k = 0.0000 0.0000 0.2484 ( 2093 PWs) bands (ev): -46.1236 -46.1236 -22.7208 -22.7208 -22.0652 -22.0652 -21.8443 -21.8443 -7.4454 -7.4454 5.5878 5.5878 8.2340 8.2340 8.2526 8.2558 11.1434 11.1434 12.2674 12.2941 12.3085 12.3085 13.5988 13.5988 13.6031 13.6290 k = 0.0000 0.0000 0.2579 ( 2093 PWs) bands (ev): -46.1233 -46.1233 -22.7239 -22.7239 -22.0668 -22.0668 -21.8440 -21.8440 -7.4294 -7.4294 5.5107 5.5107 8.2412 8.2412 8.2600 8.2632 11.2059 11.2059 12.2446 12.2706 12.2859 12.2859 13.5955 13.5955 13.6005 13.6258 k = 0.0000 0.0000 0.2675 ( 2093 PWs) bands (ev): -46.1229 -46.1229 -22.7270 -22.7270 -22.0683 -22.0683 -21.8437 -21.8437 -7.4135 -7.4135 5.4360 5.4360 8.2483 8.2483 8.2672 8.2704 11.2666 11.2666 12.2228 12.2482 12.2643 12.2643 13.5915 13.5915 13.5971 13.6217 k = 0.0000 0.0000 0.2770 ( 2094 PWs) bands (ev): -46.1225 -46.1225 -22.7301 -22.7301 -22.0698 -22.0698 -21.8433 -21.8433 -7.3978 -7.3978 5.3638 5.3638 8.2552 8.2552 8.2744 8.2775 11.3256 11.3256 12.2021 12.2268 12.2439 12.2439 13.5867 13.5867 13.5929 13.6169 k = 0.0000 0.0000 0.2866 ( 2094 PWs) bands (ev): -46.1222 -46.1222 -22.7331 -22.7331 -22.0713 -22.0713 -21.8430 -21.8430 -7.3823 -7.3823 5.2943 5.2943 8.2620 8.2620 8.2814 8.2845 11.3828 11.3828 12.1825 12.2065 12.2246 12.2246 13.5812 13.5812 13.5882 13.6114 k = 0.0000 0.0000 0.2961 ( 2094 PWs) bands (ev): -46.1218 -46.1218 -22.7361 -22.7361 -22.0727 -22.0727 -21.8427 -21.8427 -7.3672 -7.3672 5.2276 5.2276 8.2686 8.2686 8.2882 8.2912 11.4380 11.4380 12.1641 12.1873 12.2064 12.2064 13.5752 13.5752 13.5829 13.6053 k = 0.0000 0.0000 0.3057 ( 2100 PWs) bands (ev): -46.1215 -46.1215 -22.7390 -22.7390 -22.0740 -22.0740 -21.8424 -21.8424 -7.3524 -7.3524 5.1638 5.1638 8.2750 8.2750 8.2948 8.2978 11.4911 11.4911 12.1468 12.1691 12.1892 12.1892 13.5687 13.5687 13.5773 13.5987 k = 0.0000 0.0000 0.3152 ( 2100 PWs) bands (ev): -46.1212 -46.1212 -22.7418 -22.7418 -22.0753 -22.0753 -21.8421 -21.8421 -7.3381 -7.3381 5.1030 5.1030 8.2812 8.2812 8.3012 8.3041 11.5421 11.5421 12.1307 12.1521 12.1733 12.1733 13.5619 13.5619 13.5712 13.5917 k = 0.0000 0.0000 0.3248 ( 2100 PWs) bands (ev): -46.1208 -46.1208 -22.7445 -22.7445 -22.0765 -22.0765 -21.8418 -21.8418 -7.3242 -7.3242 5.0454 5.0454 8.2871 8.2871 8.3073 8.3101 11.5907 11.5907 12.1158 12.1362 12.1584 12.1584 13.5548 13.5548 13.5650 13.5845 k = 0.0000 0.0000 0.3343 ( 2082 PWs) bands (ev): -46.1205 -46.1205 -22.7471 -22.7471 -22.0777 -22.0777 -21.8415 -21.8415 -7.3109 -7.3109 4.9910 4.9910 8.2927 8.2927 8.3131 8.3159 11.6369 11.6369 12.1020 12.1213 12.1447 12.1447 13.5475 13.5475 13.5586 13.5771 k = 0.0000 0.0000 0.3439 ( 2082 PWs) bands (ev): -46.1203 -46.1203 -22.7496 -22.7496 -22.0788 -22.0788 -21.8412 -21.8412 -7.2983 -7.2983 4.9399 4.9399 8.2980 8.2980 8.3187 8.3213 11.6806 11.6806 12.0893 12.1075 12.1320 12.1320 13.5402 13.5402 13.5521 13.5696 k = 0.0000 0.0000 0.3534 ( 2094 PWs) bands (ev): -46.1200 -46.1200 -22.7520 -22.7520 -22.0798 -22.0798 -21.8410 -21.8410 -7.2863 -7.2863 4.8922 4.8922 8.3030 8.3030 8.3239 8.3264 11.7215 11.7215 12.0777 12.0948 12.1204 12.1204 13.5329 13.5329 13.5457 13.5621 k = 0.0000 0.0000 0.3630 ( 2100 PWs) bands (ev): -46.1197 -46.1197 -22.7542 -22.7542 -22.0807 -22.0807 -21.8408 -21.8408 -7.2751 -7.2751 4.8481 4.8481 8.3077 8.3077 8.3288 8.3311 11.7597 11.7597 12.0673 12.0832 12.1099 12.1099 13.5258 13.5258 13.5395 13.5547 k = 0.0000 0.0000 0.3726 ( 2100 PWs) bands (ev): -46.1195 -46.1195 -22.7562 -22.7562 -22.0816 -22.0816 -21.8406 -21.8406 -7.2647 -7.2647 4.8075 4.8075 8.3120 8.3120 8.3333 8.3355 11.7951 11.7951 12.0579 12.0726 12.1004 12.1004 13.5189 13.5189 13.5336 13.5475 k = 0.0000 0.0000 0.3821 ( 2106 PWs) bands (ev): -46.1193 -46.1193 -22.7581 -22.7581 -22.0824 -22.0824 -21.8404 -21.8404 -7.2551 -7.2551 4.7705 4.7705 8.3160 8.3160 8.3375 8.3394 11.8274 11.8274 12.0496 12.0630 12.0919 12.0919 13.5123 13.5123 13.5279 13.5406 k = 0.0000 0.0000 0.3917 ( 2112 PWs) bands (ev): -46.1191 -46.1191 -22.7599 -22.7599 -22.0831 -22.0831 -21.8402 -21.8402 -7.2464 -7.2464 4.7373 4.7373 8.3195 8.3195 8.3412 8.3430 11.8566 11.8566 12.0424 12.0544 12.0844 12.0844 13.5062 13.5062 13.5227 13.5341 k = 0.0000 0.0000 0.4012 ( 2100 PWs) bands (ev): -46.1189 -46.1189 -22.7614 -22.7614 -22.0837 -22.0837 -21.8400 -21.8400 -7.2386 -7.2386 4.7079 4.7079 8.3227 8.3227 8.3446 8.3462 11.8826 11.8826 12.0362 12.0468 12.0778 12.0778 13.5006 13.5006 13.5181 13.5281 k = 0.0000 0.0000 0.4108 ( 2100 PWs) bands (ev): -46.1188 -46.1188 -22.7627 -22.7627 -22.0842 -22.0842 -21.8399 -21.8399 -7.2317 -7.2317 4.6822 4.6822 8.3255 8.3255 8.3476 8.3489 11.9053 11.9053 12.0309 12.0401 12.0722 12.0722 13.4956 13.4956 13.5139 13.5226 k = 0.0000 0.0000 0.4203 ( 2094 PWs) bands (ev): -46.1186 -46.1186 -22.7639 -22.7639 -22.0847 -22.0847 -21.8398 -21.8398 -7.2259 -7.2259 4.6604 4.6604 8.3278 8.3278 8.3501 8.3513 11.9247 11.9247 12.0267 12.0344 12.0675 12.0675 13.4912 13.4912 13.5105 13.5178 k = 0.0000 0.0000 0.4299 ( 2094 PWs) bands (ev): -46.1185 -46.1185 -22.7648 -22.7648 -22.0851 -22.0851 -21.8397 -21.8397 -7.2211 -7.2211 4.6426 4.6426 8.3298 8.3298 8.3522 8.3532 11.9407 11.9407 12.0234 12.0296 12.0637 12.0637 13.4875 13.4875 13.5077 13.5135 k = 0.0000 0.0000 0.4394 ( 2094 PWs) bands (ev): -46.1184 -46.1184 -22.7656 -22.7656 -22.0854 -22.0854 -21.8396 -21.8396 -7.2173 -7.2173 4.6287 4.6287 8.3313 8.3313 8.3539 8.3546 11.9531 11.9531 12.0210 12.0257 12.0607 12.0607 13.4846 13.4846 13.5056 13.5100 k = 0.0000 0.0000 0.4490 ( 2094 PWs) bands (ev): -46.1184 -46.1184 -22.7661 -22.7661 -22.0856 -22.0856 -21.8395 -21.8395 -7.2146 -7.2146 4.6187 4.6187 8.3324 8.3324 8.3551 8.3556 11.9621 11.9621 12.0195 12.0227 12.0586 12.0586 13.4825 13.4825 13.5043 13.5073 k = 0.0000 0.0000 0.4585 ( 2082 PWs) bands (ev): -46.1184 -46.1184 -22.7664 -22.7664 -22.0857 -22.0857 -21.8395 -21.8395 -7.2130 -7.2130 4.6127 4.6127 8.3330 8.3330 8.3559 8.3562 11.9675 11.9675 12.0190 12.0205 12.0573 12.0573 13.4813 13.4813 13.5039 13.5054 k = 0.0000 0.0000 0.4681 ( 2082 PWs) bands (ev): -46.1183 -46.1183 -22.7666 -22.7666 -22.0857 -22.0857 -21.8395 -21.8395 -7.2124 -7.2124 4.6107 4.6107 8.3333 8.3333 8.3563 8.3563 11.9693 11.9693 12.0193 12.0193 12.0569 12.0569 13.4808 13.4808 13.5042 13.5042 k = 0.0000 0.0000 0.4681 ( 2082 PWs) bands (ev): -46.1183 -46.1183 -22.7666 -22.7666 -22.0857 -22.0857 -21.8395 -21.8395 -7.2124 -7.2124 4.6107 4.6107 8.3333 8.3333 8.3563 8.3563 11.9693 11.9693 12.0193 12.0193 12.0569 12.0569 13.4808 13.4808 13.5042 13.5042 k = 0.0083 0.0048 0.4681 ( 2082 PWs) bands (ev): -46.1183 -46.1183 -22.7666 -22.7666 -22.0858 -22.0858 -21.8396 -21.8396 -7.2123 -7.2123 4.6118 4.6118 8.3319 8.3319 8.3550 8.3550 11.9556 11.9556 12.0272 12.0272 12.0636 12.0636 13.4803 13.4803 13.5038 13.5038 k = 0.0167 0.0096 0.4681 ( 2086 PWs) bands (ev): -46.1182 -46.1182 -22.7666 -22.7666 -22.0861 -22.0861 -21.8401 -21.8401 -7.2117 -7.2117 4.6149 4.6149 8.3279 8.3279 8.3512 8.3512 11.9287 11.9287 12.0372 12.0372 12.0830 12.0830 13.4779 13.4779 13.5032 13.5032 k = 0.0250 0.0144 0.4681 ( 2090 PWs) bands (ev): -46.1181 -46.1181 -22.7666 -22.7666 -22.0865 -22.0865 -21.8408 -21.8408 -7.2109 -7.2109 4.6200 4.6200 8.3207 8.3207 8.3454 8.3454 11.8982 11.8982 12.0455 12.0455 12.1094 12.1094 13.4723 13.4723 13.5040 13.5040 k = 0.0333 0.0192 0.4681 ( 2086 PWs) bands (ev): -46.1178 -46.1178 -22.7666 -22.7666 -22.0871 -22.0871 -21.8418 -21.8418 -7.2097 -7.2097 4.6272 4.6272 8.3099 8.3099 8.3381 8.3381 11.8662 11.8662 12.0545 12.0545 12.1383 12.1383 13.4626 13.4626 13.5072 13.5072 k = 0.0417 0.0241 0.4681 ( 2090 PWs) bands (ev): -46.1175 -46.1175 -22.7666 -22.7666 -22.0878 -22.0878 -21.8431 -21.8431 -7.2081 -7.2081 4.6365 4.6365 8.2952 8.2952 8.3297 8.3297 11.8334 11.8334 12.0652 12.0652 12.1681 12.1681 13.4493 13.4493 13.5124 13.5124 k = 0.0500 0.0289 0.4681 ( 2096 PWs) bands (ev): -46.1172 -46.1172 -22.7666 -22.7666 -22.0887 -22.0887 -21.8447 -21.8447 -7.2062 -7.2062 4.6477 4.6477 8.2766 8.2766 8.3201 8.3201 11.8001 11.8001 12.0779 12.0779 12.1982 12.1982 13.4330 13.4330 13.5195 13.5195 k = 0.0583 0.0337 0.4681 ( 2100 PWs) bands (ev): -46.1168 -46.1168 -22.7666 -22.7666 -22.0898 -22.0898 -21.8465 -21.8465 -7.2040 -7.2040 4.6609 4.6609 8.2542 8.2542 8.3095 8.3095 11.7665 11.7665 12.0927 12.0927 12.2285 12.2285 13.4143 13.4143 13.5281 13.5281 k = 0.0667 0.0385 0.4681 ( 2096 PWs) bands (ev): -46.1163 -46.1163 -22.7666 -22.7666 -22.0911 -22.0911 -21.8486 -21.8486 -7.2015 -7.2015 4.6759 4.6759 8.2283 8.2283 8.2977 8.2977 11.7326 11.7326 12.1096 12.1096 12.2588 12.2588 13.3935 13.3935 13.5381 13.5381 k = 0.0750 0.0433 0.4681 ( 2096 PWs) bands (ev): -46.1158 -46.1158 -22.7667 -22.7667 -22.0925 -22.0925 -21.8510 -21.8510 -7.1986 -7.1986 4.6929 4.6929 8.1989 8.1989 8.2847 8.2847 11.6985 11.6985 12.1287 12.1287 12.2891 12.2891 13.3710 13.3710 13.5493 13.5493 k = 0.0833 0.0481 0.4681 ( 2096 PWs) bands (ev): -46.1152 -46.1152 -22.7667 -22.7667 -22.0940 -22.0940 -21.8535 -21.8535 -7.1954 -7.1954 4.7117 4.7117 8.1664 8.1664 8.2705 8.2705 11.6644 11.6644 12.1498 12.1498 12.3194 12.3194 13.3473 13.3473 13.5618 13.5618 k = 0.0917 0.0529 0.4681 ( 2096 PWs) bands (ev): -46.1145 -46.1145 -22.7668 -22.7668 -22.0957 -22.0957 -21.8564 -21.8564 -7.1919 -7.1919 4.7322 4.7322 8.1307 8.1307 8.2552 8.2552 11.6303 11.6303 12.1731 12.1731 12.3498 12.3498 13.3227 13.3227 13.5754 13.5754 k = 0.1000 0.0577 0.4681 ( 2100 PWs) bands (ev): -46.1138 -46.1138 -22.7669 -22.7669 -22.0976 -22.0976 -21.8594 -21.8594 -7.1881 -7.1881 4.7544 4.7544 8.0920 8.0920 8.2387 8.2387 11.5962 11.5962 12.1984 12.1984 12.3803 12.3803 13.2975 13.2975 13.5901 13.5901 k = 0.1083 0.0625 0.4681 ( 2100 PWs) bands (ev): -46.1131 -46.1131 -22.7670 -22.7670 -22.0996 -22.0996 -21.8626 -21.8626 -7.1840 -7.1840 4.7782 4.7782 8.0506 8.0506 8.2212 8.2212 11.5624 11.5624 12.2258 12.2258 12.4108 12.4108 13.2720 13.2720 13.6058 13.6058 k = 0.1167 0.0674 0.4681 ( 2100 PWs) bands (ev): -46.1123 -46.1123 -22.7671 -22.7671 -22.1018 -22.1018 -21.8660 -21.8660 -7.1796 -7.1796 4.8035 4.8035 8.0066 8.0066 8.2027 8.2027 11.5288 11.5288 12.2551 12.2551 12.4415 12.4415 13.2465 13.2465 13.6223 13.6223 k = 0.1250 0.0722 0.4681 ( 2096 PWs) bands (ev): -46.1114 -46.1114 -22.7673 -22.7673 -22.1041 -22.1041 -21.8695 -21.8695 -7.1749 -7.1749 4.8302 4.8302 7.9600 7.9600 8.1833 8.1833 11.4956 11.4956 12.2864 12.2864 12.4723 12.4723 13.2212 13.2212 13.6397 13.6397 k = 0.1333 0.0770 0.4681 ( 2096 PWs) bands (ev): -46.1105 -46.1105 -22.7675 -22.7675 -22.1066 -22.1066 -21.8732 -21.8732 -7.1700 -7.1700 4.8584 4.8584 7.9112 7.9112 8.1630 8.1630 11.4628 11.4628 12.3195 12.3195 12.5033 12.5033 13.1963 13.1963 13.6578 13.6578 k = 0.1417 0.0818 0.4681 ( 2092 PWs) bands (ev): -46.1096 -46.1096 -22.7677 -22.7677 -22.1092 -22.1092 -21.8770 -21.8770 -7.1648 -7.1648 4.8877 4.8877 7.8602 7.8602 8.1419 8.1419 11.4307 11.4307 12.3545 12.3545 12.5345 12.5345 13.1720 13.1720 13.6767 13.6767 k = 0.1500 0.0866 0.4681 ( 2092 PWs) bands (ev): -46.1086 -46.1086 -22.7680 -22.7680 -22.1119 -22.1119 -21.8810 -21.8810 -7.1594 -7.1594 4.9183 4.9183 7.8072 7.8072 8.1201 8.1201 11.3992 11.3992 12.3912 12.3912 12.5660 12.5660 13.1485 13.1485 13.6961 13.6961 k = 0.1583 0.0914 0.4681 ( 2096 PWs) bands (ev): -46.1076 -46.1076 -22.7683 -22.7683 -22.1147 -22.1147 -21.8850 -21.8850 -7.1537 -7.1537 4.9498 4.9498 7.7525 7.7525 8.0977 8.0977 11.3685 11.3685 12.4297 12.4297 12.5977 12.5977 13.1259 13.1259 13.7160 13.7160 k = 0.1667 0.0962 0.4681 ( 2100 PWs) bands (ev): -46.1066 -46.1066 -22.7687 -22.7687 -22.1177 -22.1177 -21.8891 -21.8891 -7.1478 -7.1478 4.9823 4.9823 7.6961 7.6961 8.0747 8.0747 11.3387 11.3387 12.4698 12.4698 12.6297 12.6297 13.1043 13.1043 13.7364 13.7364 k = 0.1750 0.1010 0.4681 ( 2100 PWs) bands (ev): -46.1055 -46.1055 -22.7691 -22.7691 -22.1208 -22.1208 -21.8933 -21.8933 -7.1417 -7.1417 5.0157 5.0157 7.6384 7.6384 8.0512 8.0512 11.3098 11.3098 12.5115 12.5115 12.6620 12.6620 13.0837 13.0837 13.7572 13.7572 k = 0.1833 0.1058 0.4681 ( 2096 PWs) bands (ev): -46.1043 -46.1043 -22.7695 -22.7695 -22.1239 -22.1239 -21.8975 -21.8975 -7.1355 -7.1355 5.0497 5.0497 7.5794 7.5794 8.0274 8.0274 11.2821 11.2821 12.5546 12.5546 12.6946 12.6946 13.0643 13.0643 13.7783 13.7783 k = 0.1917 0.1107 0.4681 ( 2100 PWs) bands (ev): -46.1032 -46.1032 -22.7700 -22.7700 -22.1272 -22.1272 -21.9017 -21.9017 -7.1290 -7.1290 5.0843 5.0843 7.5194 7.5194 8.0031 8.0031 11.2555 11.2555 12.5992 12.5992 12.7275 12.7275 13.0460 13.0460 13.7996 13.7996 k = 0.2000 0.1155 0.4681 ( 2096 PWs) bands (ev): -46.1020 -46.1020 -22.7706 -22.7706 -22.1306 -22.1306 -21.9060 -21.9060 -7.1224 -7.1224 5.1194 5.1194 7.4585 7.4585 7.9787 7.9787 11.2302 11.2302 12.6451 12.6451 12.7608 12.7608 13.0290 13.0290 13.8211 13.8211 k = 0.2083 0.1203 0.4681 ( 2100 PWs) bands (ev): -46.1009 -46.1009 -22.7712 -22.7712 -22.1340 -22.1340 -21.9102 -21.9102 -7.1156 -7.1156 5.1549 5.1549 7.3970 7.3970 7.9540 7.9540 11.2063 11.2063 12.6921 12.6921 12.7944 12.7944 13.0132 13.0132 13.8427 13.8427 k = 0.2167 0.1251 0.4681 ( 2096 PWs) bands (ev): -46.0996 -46.0996 -22.7719 -22.7719 -22.1375 -22.1375 -21.9145 -21.9145 -7.1087 -7.1087 5.1905 5.1905 7.3350 7.3350 7.9293 7.9293 11.1838 11.1838 12.7403 12.7403 12.8282 12.8282 12.9987 12.9987 13.8643 13.8643 k = 0.2250 0.1299 0.4681 ( 2096 PWs) bands (ev): -46.0984 -46.0984 -22.7726 -22.7726 -22.1411 -22.1411 -21.9186 -21.9186 -7.1017 -7.1017 5.2262 5.2262 7.2727 7.2727 7.9045 7.9045 11.1628 11.1628 12.7893 12.7893 12.8622 12.8622 12.9858 12.9858 13.8859 13.8859 k = 0.2333 0.1347 0.4681 ( 2096 PWs) bands (ev): -46.0972 -46.0972 -22.7734 -22.7734 -22.1447 -22.1447 -21.9228 -21.9228 -7.0946 -7.0946 5.2619 5.2619 7.2103 7.2103 7.8797 7.8797 11.1434 11.1434 12.8390 12.8390 12.8961 12.8961 12.9746 12.9746 13.9074 13.9074 k = 0.2417 0.1395 0.4681 ( 2098 PWs) bands (ev): -46.0960 -46.0960 -22.7743 -22.7743 -22.1483 -22.1483 -21.9269 -21.9269 -7.0874 -7.0874 5.2975 5.2975 7.1480 7.1480 7.8551 7.8551 11.1256 11.1256 12.8886 12.8886 12.9283 12.9283 12.9677 12.9677 13.9288 13.9288 k = 0.2500 0.1443 0.4681 ( 2098 PWs) bands (ev): -46.0947 -46.0947 -22.7752 -22.7752 -22.1520 -22.1520 -21.9309 -21.9309 -7.0802 -7.0802 5.3327 5.3327 7.0859 7.0859 7.8305 7.8305 11.1095 11.1095 12.9299 12.9299 12.9528 12.9528 12.9787 12.9787 13.9499 13.9499 k = 0.2583 0.1491 0.4681 ( 2106 PWs) bands (ev): -46.0935 -46.0935 -22.7762 -22.7762 -22.1557 -22.1557 -21.9348 -21.9348 -7.0730 -7.0730 5.3675 5.3675 7.0242 7.0242 7.8063 7.8063 11.0951 11.0951 12.9339 12.9339 12.9941 12.9941 13.0121 13.0121 13.9708 13.9708 k = 0.2667 0.1540 0.4681 ( 2110 PWs) bands (ev): -46.0923 -46.0923 -22.7772 -22.7772 -22.1594 -22.1594 -21.9387 -21.9387 -7.0657 -7.0657 5.4019 5.4019 6.9630 6.9630 7.7823 7.7823 11.0825 11.0825 12.9281 12.9281 13.0365 13.0365 13.0560 13.0560 13.9913 13.9913 k = 0.2750 0.1588 0.4681 ( 2114 PWs) bands (ev): -46.0910 -46.0910 -22.7783 -22.7783 -22.1631 -22.1631 -21.9424 -21.9424 -7.0584 -7.0584 5.4356 5.4356 6.9026 6.9026 7.7586 7.7586 11.0715 11.0715 12.9218 12.9218 13.0742 13.0742 13.1065 13.1065 14.0115 14.0115 k = 0.2833 0.1636 0.4681 ( 2118 PWs) bands (ev): -46.0898 -46.0898 -22.7794 -22.7794 -22.1667 -22.1667 -21.9460 -21.9460 -7.0512 -7.0512 5.4686 5.4686 6.8430 6.8430 7.7353 7.7353 11.0623 11.0623 12.9159 12.9159 13.1108 13.1108 13.1590 13.1590 14.0313 14.0313 k = 0.2917 0.1684 0.4681 ( 2118 PWs) bands (ev): -46.0886 -46.0886 -22.7806 -22.7806 -22.1703 -22.1703 -21.9495 -21.9495 -7.0440 -7.0440 5.5007 5.5007 6.7845 6.7845 7.7125 7.7125 11.0548 11.0548 12.9106 12.9106 13.1471 13.1471 13.2120 13.2120 14.0507 14.0507 k = 0.3000 0.1732 0.4681 ( 2120 PWs) bands (ev): -46.0874 -46.0874 -22.7818 -22.7818 -22.1739 -22.1739 -21.9529 -21.9529 -7.0368 -7.0368 5.5320 5.5320 6.7271 6.7271 7.6902 7.6902 11.0489 11.0489 12.9061 12.9061 13.1834 13.1834 13.2651 13.2651 14.0695 14.0695 k = 0.3083 0.1780 0.4681 ( 2116 PWs) bands (ev): -46.0862 -46.0862 -22.7830 -22.7830 -22.1774 -22.1774 -21.9562 -21.9562 -7.0298 -7.0298 5.5622 5.5622 6.6710 6.6710 7.6684 7.6684 11.0447 11.0447 12.9022 12.9022 13.2196 13.2196 13.3181 13.3181 14.0879 14.0879 k = 0.3167 0.1828 0.4681 ( 2116 PWs) bands (ev): -46.0851 -46.0851 -22.7843 -22.7843 -22.1808 -22.1808 -21.9594 -21.9594 -7.0228 -7.0228 5.5914 5.5914 6.6164 6.6164 7.6473 7.6473 11.0420 11.0420 12.8989 12.8989 13.2556 13.2556 13.3707 13.3707 14.1057 14.1057 k = 0.3250 0.1876 0.4681 ( 2112 PWs) bands (ev): -46.0840 -46.0840 -22.7856 -22.7856 -22.1842 -22.1842 -21.9624 -21.9624 -7.0160 -7.0160 5.6194 5.6194 6.5633 6.5633 7.6267 7.6267 11.0408 11.0408 12.8963 12.8963 13.2915 13.2915 13.4227 13.4227 14.1228 14.1228 k = 0.3333 0.1925 0.4681 ( 2104 PWs) bands (ev): -46.0829 -46.0829 -22.7869 -22.7869 -22.1875 -22.1875 -21.9653 -21.9653 -7.0093 -7.0093 5.6462 5.6462 6.5119 6.5119 7.6069 7.6069 11.0410 11.0410 12.8942 12.8942 13.3270 13.3270 13.4741 13.4741 14.1394 14.1394 k = 0.3417 0.1973 0.4681 ( 2104 PWs) bands (ev): -46.0818 -46.0818 -22.7883 -22.7883 -22.1906 -22.1906 -21.9680 -21.9680 -7.0028 -7.0028 5.6718 5.6718 6.4622 6.4622 7.5878 7.5878 11.0425 11.0425 12.8926 12.8926 13.3621 13.3621 13.5245 13.5245 14.1553 14.1553 k = 0.3500 0.2021 0.4681 ( 2104 PWs) bands (ev): -46.0808 -46.0808 -22.7896 -22.7896 -22.1937 -22.1937 -21.9706 -21.9706 -6.9965 -6.9965 5.6961 5.6961 6.4145 6.4145 7.5694 7.5694 11.0451 11.0451 12.8915 12.8915 13.3967 13.3967 13.5738 13.5738 14.1705 14.1705 k = 0.3583 0.2069 0.4681 ( 2104 PWs) bands (ev): -46.0798 -46.0798 -22.7909 -22.7909 -22.1966 -22.1966 -21.9731 -21.9731 -6.9904 -6.9904 5.7191 5.7191 6.3687 6.3687 7.5519 7.5519 11.0487 11.0487 12.8908 12.8908 13.4307 13.4307 13.6218 13.6218 14.1851 14.1851 k = 0.3667 0.2117 0.4681 ( 2104 PWs) bands (ev): -46.0789 -46.0789 -22.7922 -22.7922 -22.1994 -22.1994 -21.9754 -21.9754 -6.9846 -6.9846 5.7407 5.7407 6.3251 6.3251 7.5351 7.5351 11.0532 11.0532 12.8904 12.8904 13.4639 13.4639 13.6684 13.6684 14.1989 14.1989 k = 0.3750 0.2165 0.4681 ( 2100 PWs) bands (ev): -46.0780 -46.0780 -22.7935 -22.7935 -22.2020 -22.2020 -21.9776 -21.9776 -6.9789 -6.9789 5.7610 5.7610 6.2836 6.2836 7.5193 7.5193 11.0585 11.0585 12.8903 12.8903 13.4962 13.4962 13.7134 13.7134 14.2119 14.2119 k = 0.3833 0.2213 0.4681 ( 2108 PWs) bands (ev): -46.0771 -46.0771 -22.7948 -22.7948 -22.2045 -22.2045 -21.9796 -21.9796 -6.9736 -6.9736 5.7799 5.7799 6.2444 6.2444 7.5043 7.5043 11.0644 11.0644 12.8905 12.8905 13.5274 13.5274 13.7565 13.7565 14.2242 14.2242 k = 0.3917 0.2261 0.4681 ( 2108 PWs) bands (ev): -46.0763 -46.0763 -22.7960 -22.7960 -22.2069 -22.2069 -21.9815 -21.9815 -6.9685 -6.9685 5.7975 5.7975 6.2076 6.2076 7.4902 7.4902 11.0707 11.0707 12.8909 12.8909 13.5574 13.5574 13.7975 13.7975 14.2358 14.2358 k = 0.4000 0.2309 0.4681 ( 2108 PWs) bands (ev): -46.0755 -46.0755 -22.7972 -22.7972 -22.2091 -22.2091 -21.9833 -21.9833 -6.9638 -6.9638 5.8136 5.8136 6.1732 6.1732 7.4771 7.4771 11.0774 11.0774 12.8914 12.8914 13.5861 13.5861 13.8364 13.8364 14.2465 14.2465 k = 0.4083 0.2358 0.4681 ( 2104 PWs) bands (ev): -46.0748 -46.0748 -22.7983 -22.7983 -22.2112 -22.2112 -21.9849 -21.9849 -6.9593 -6.9593 5.8284 5.8284 6.1413 6.1413 7.4649 7.4649 11.0841 11.0841 12.8921 12.8921 13.6133 13.6133 13.8730 13.8730 14.2564 14.2564 k = 0.4167 0.2406 0.4681 ( 2106 PWs) bands (ev): -46.0742 -46.0742 -22.7993 -22.7993 -22.2130 -22.2130 -21.9863 -21.9863 -6.9552 -6.9552 5.8419 5.8419 6.1119 6.1119 7.4538 7.4538 11.0909 11.0909 12.8929 12.8929 13.6387 13.6387 13.9070 13.9070 14.2655 14.2655 k = 0.4250 0.2454 0.4681 ( 2098 PWs) bands (ev): -46.0736 -46.0736 -22.8003 -22.8003 -22.2148 -22.2148 -21.9877 -21.9877 -6.9514 -6.9514 5.8540 5.8540 6.0852 6.0852 7.4436 7.4436 11.0975 11.0975 12.8937 12.8937 13.6623 13.6623 13.9383 13.9383 14.2738 14.2738 k = 0.4333 0.2502 0.4681 ( 2098 PWs) bands (ev): -46.0731 -46.0731 -22.8012 -22.8012 -22.2163 -22.2163 -21.9889 -21.9889 -6.9480 -6.9480 5.8647 5.8647 6.0611 6.0611 7.4345 7.4345 11.1039 11.1039 12.8945 12.8945 13.6840 13.6840 13.9668 13.9668 14.2812 14.2812 k = 0.4417 0.2550 0.4681 ( 2098 PWs) bands (ev): -46.0726 -46.0726 -22.8020 -22.8020 -22.2177 -22.2177 -21.9899 -21.9899 -6.9450 -6.9450 5.8742 5.8742 6.0398 6.0398 7.4264 7.4264 11.1098 11.1098 12.8952 12.8952 13.7035 13.7035 13.9922 13.9922 14.2878 14.2878 k = 0.4500 0.2598 0.4681 ( 2098 PWs) bands (ev): -46.0722 -46.0722 -22.8027 -22.8027 -22.2188 -22.2188 -21.9908 -21.9908 -6.9423 -6.9423 5.8823 5.8823 6.0212 6.0212 7.4193 7.4193 11.1152 11.1152 12.8960 12.8960 13.7207 13.7207 14.0146 14.0146 14.2935 14.2935 k = 0.4583 0.2646 0.4681 ( 2098 PWs) bands (ev): -46.0718 -46.0718 -22.8033 -22.8033 -22.2199 -22.2199 -21.9916 -21.9916 -6.9401 -6.9401 5.8892 5.8892 6.0054 6.0054 7.4134 7.4134 11.1199 11.1199 12.8966 12.8966 13.7354 13.7354 14.0337 14.0337 14.2984 14.2984 k = 0.4667 0.2694 0.4681 ( 2098 PWs) bands (ev): -46.0715 -46.0715 -22.8038 -22.8038 -22.2207 -22.2207 -21.9922 -21.9922 -6.9382 -6.9382 5.8948 5.8948 5.9925 5.9925 7.4084 7.4084 11.1239 11.1239 12.8972 12.8972 13.7477 13.7477 14.0495 14.0495 14.3024 14.3024 k = 0.4750 0.2742 0.4681 ( 2098 PWs) bands (ev): -46.0713 -46.0713 -22.8042 -22.8042 -22.2213 -22.2213 -21.9927 -21.9927 -6.9367 -6.9367 5.8991 5.8991 5.9824 5.9824 7.4046 7.4046 11.1271 11.1271 12.8977 12.8977 13.7574 13.7574 14.0618 14.0618 14.3055 14.3055 k = 0.4833 0.2791 0.4681 ( 2096 PWs) bands (ev): -46.0711 -46.0711 -22.8045 -22.8045 -22.2218 -22.2218 -21.9930 -21.9930 -6.9357 -6.9357 5.9022 5.9022 5.9751 5.9751 7.4019 7.4019 11.1294 11.1294 12.8980 12.8980 13.7643 13.7643 14.0707 14.0707 14.3077 14.3077 k = 0.4917 0.2839 0.4681 ( 2092 PWs) bands (ev): -46.0710 -46.0710 -22.8047 -22.8047 -22.2221 -22.2221 -21.9932 -21.9932 -6.9351 -6.9351 5.9041 5.9041 5.9708 5.9708 7.4002 7.4002 11.1309 11.1309 12.8982 12.8982 13.7685 13.7685 14.0761 14.0761 14.3090 14.3090 k = 0.5000 0.2887 0.4681 ( 2092 PWs) bands (ev): -46.0710 -46.0710 -22.8048 -22.8048 -22.2222 -22.2222 -21.9933 -21.9933 -6.9349 -6.9349 5.9047 5.9047 5.9694 5.9694 7.3997 7.3997 11.1313 11.1313 12.8983 12.8983 13.7699 13.7699 14.0778 14.0778 14.3095 14.3095 k = 0.5000 0.2887 0.4681 ( 2092 PWs) bands (ev): -46.0710 -46.0710 -22.8048 -22.8048 -22.2222 -22.2222 -21.9933 -21.9933 -6.9349 -6.9349 5.9047 5.9047 5.9694 5.9694 7.3997 7.3997 11.1313 11.1313 12.8983 12.8983 13.7699 13.7699 14.0778 14.0778 14.3095 14.3095 k = 0.4952 0.2969 0.4681 ( 2088 PWs) bands (ev): -46.0710 -46.0710 -22.8049 -22.8046 -22.2221 -22.2221 -21.9936 -21.9933 -6.9348 -6.9348 5.9046 5.9054 5.9690 5.9695 7.3985 7.3993 11.1320 11.1322 12.8981 12.8992 13.7685 13.7697 14.0770 14.0797 14.3093 14.3098 k = 0.4905 0.3052 0.4681 ( 2086 PWs) bands (ev): -46.0710 -46.0710 -22.8050 -22.8045 -22.2220 -22.2218 -21.9942 -21.9935 -6.9346 -6.9345 5.9051 5.9066 5.9683 5.9692 7.3957 7.3974 11.1342 11.1347 12.8984 12.9006 13.7656 13.7678 14.0771 14.0826 14.3093 14.3101 k = 0.4857 0.3134 0.4681 ( 2086 PWs) bands (ev): -46.0709 -46.0709 -22.8050 -22.8043 -22.2218 -22.2215 -21.9951 -21.9941 -6.9342 -6.9342 5.9062 5.9084 5.9673 5.9687 7.3914 7.3940 11.1380 11.1387 12.8994 12.9027 13.7612 13.7644 14.0783 14.0863 14.3093 14.3106 k = 0.4810 0.3217 0.4681 ( 2090 PWs) bands (ev): -46.0708 -46.0708 -22.8051 -22.8041 -22.2214 -22.2211 -21.9963 -21.9949 -6.9336 -6.9336 5.9077 5.9107 5.9660 5.9679 7.3855 7.3890 11.1433 11.1442 12.9010 12.9054 13.7555 13.7596 14.0803 14.0908 14.3094 14.3112 k = 0.4762 0.3299 0.4681 ( 2094 PWs) bands (ev): -46.0707 -46.0707 -22.8052 -22.8039 -22.2209 -22.2205 -21.9978 -21.9960 -6.9329 -6.9329 5.9099 5.9135 5.9644 5.9668 7.3783 7.3826 11.1501 11.1512 12.9032 12.9086 13.7486 13.7534 14.0830 14.0958 14.3097 14.3119 k = 0.4714 0.3382 0.4681 ( 2094 PWs) bands (ev): -46.0706 -46.0706 -22.8052 -22.8037 -22.2203 -22.2198 -21.9995 -21.9973 -6.9321 -6.9321 5.9125 5.9169 5.9624 5.9653 7.3696 7.3748 11.1584 11.1598 12.9059 12.9124 13.7408 13.7462 14.0864 14.1012 14.3101 14.3127 k = 0.4667 0.3464 0.4681 ( 2094 PWs) bands (ev): -46.0705 -46.0705 -22.8052 -22.8035 -22.2197 -22.2191 -22.0015 -21.9990 -6.9311 -6.9311 5.9156 5.9207 5.9602 5.9636 7.3597 7.3657 11.1682 11.1698 12.9091 12.9166 13.7322 13.7379 14.0901 14.1069 14.3106 14.3136 k = 0.4619 0.3547 0.4681 ( 2098 PWs) bands (ev): -46.0703 -46.0703 -22.8052 -22.8033 -22.2189 -22.2182 -22.0037 -22.0008 -6.9300 -6.9300 5.9192 5.9249 5.9577 5.9615 7.3486 7.3554 11.1794 11.1813 12.9127 12.9212 13.7230 13.7289 14.0942 14.1127 14.3112 14.3146 k = 0.4571 0.3629 0.4681 ( 2094 PWs) bands (ev): -46.0702 -46.0702 -22.8052 -22.8031 -22.2180 -22.2172 -22.0062 -22.0029 -6.9288 -6.9288 5.9232 5.9294 5.9550 5.9591 7.3365 7.3441 11.1920 11.1942 12.9168 12.9263 13.7133 13.7194 14.0983 14.1185 14.3119 14.3157 k = 0.4524 0.3712 0.4681 ( 2098 PWs) bands (ev): -46.0700 -46.0700 -22.8052 -22.8028 -22.2170 -22.2161 -22.0089 -22.0053 -6.9274 -6.9274 5.9275 5.9342 5.9521 5.9564 7.3233 7.3317 11.2060 11.2084 12.9211 12.9316 13.7034 13.7094 14.1024 14.1241 14.3127 14.3170 k = 0.4476 0.3794 0.4681 ( 2094 PWs) bands (ev): -46.0698 -46.0698 -22.8052 -22.8026 -22.2159 -22.2149 -22.0118 -22.0078 -6.9260 -6.9259 5.9322 5.9388 5.9494 5.9534 7.3093 7.3185 11.2212 11.2239 12.9258 12.9372 13.6932 13.6991 14.1064 14.1294 14.3137 14.3183 k = 0.4429 0.3876 0.4681 ( 2090 PWs) bands (ev): -46.0696 -46.0696 -22.8051 -22.8023 -22.2147 -22.2136 -22.0149 -22.0105 -6.9244 -6.9244 5.9370 5.9408 5.9492 5.9503 7.2947 7.3046 11.2376 11.2406 12.9308 12.9431 13.6830 13.6887 14.1101 14.1344 14.3148 14.3198 k = 0.4381 0.3959 0.4681 ( 2090 PWs) bands (ev): -46.0694 -46.0694 -22.8051 -22.8021 -22.2135 -22.2122 -22.0181 -22.0134 -6.9228 -6.9227 5.9384 5.9414 5.9476 5.9534 7.2794 7.2901 11.2551 11.2584 12.9359 12.9490 13.6729 13.6784 14.1135 14.1389 14.3160 14.3214 k = 0.4333 0.4041 0.4681 ( 2086 PWs) bands (ev): -46.0691 -46.0691 -22.8051 -22.8019 -22.2122 -22.2108 -22.0216 -22.0165 -6.9210 -6.9210 5.9344 5.9410 5.9494 5.9591 7.2638 7.2751 11.2737 11.2773 12.9411 12.9551 13.6630 13.6681 14.1164 14.1430 14.3173 14.3230 k = 0.4286 0.4124 0.4681 ( 2086 PWs) bands (ev): -46.0689 -46.0689 -22.8050 -22.8016 -22.2108 -22.2092 -22.0251 -22.0197 -6.9192 -6.9192 5.9298 5.9372 5.9546 5.9652 7.2478 7.2598 11.2931 11.2972 12.9464 12.9612 13.6534 13.6582 14.1189 14.1465 14.3187 14.3248 k = 0.4238 0.4206 0.4681 ( 2094 PWs) bands (ev): -46.0686 -46.0686 -22.8050 -22.8014 -22.2093 -22.2076 -22.0288 -22.0230 -6.9174 -6.9173 5.9249 5.9327 5.9603 5.9715 7.2317 7.2444 11.3134 11.3178 12.9517 12.9673 13.6441 13.6486 14.1209 14.1495 14.3202 14.3267 k = 0.4190 0.4289 0.4681 ( 2094 PWs) bands (ev): -46.0684 -46.0684 -22.8050 -22.8012 -22.2078 -22.2059 -22.0326 -22.0264 -6.9155 -6.9154 5.9196 5.9279 5.9661 5.9778 7.2156 7.2289 11.3344 11.3392 12.9570 12.9733 13.6353 13.6394 14.1223 14.1518 14.3218 14.3286 k = 0.4143 0.4371 0.4681 ( 2098 PWs) bands (ev): -46.0681 -46.0681 -22.8049 -22.8009 -22.2063 -22.2042 -22.0364 -22.0298 -6.9136 -6.9135 5.9141 5.9227 5.9720 5.9842 7.1997 7.2135 11.3559 11.3611 12.9622 12.9791 13.6271 13.6308 14.1231 14.1536 14.3235 14.3307 k = 0.4095 0.4454 0.4681 ( 2098 PWs) bands (ev): -46.0679 -46.0679 -22.8049 -22.8007 -22.2047 -22.2025 -22.0403 -22.0333 -6.9117 -6.9116 5.9083 5.9174 5.9778 5.9906 7.1840 7.1984 11.3778 11.3834 12.9673 12.9849 13.6195 13.6228 14.1234 14.1547 14.3253 14.3328 k = 0.4048 0.4536 0.4681 ( 2098 PWs) bands (ev): -46.0676 -46.0676 -22.8049 -22.8006 -22.2031 -22.2007 -22.0442 -22.0368 -6.9097 -6.9097 5.9024 5.9118 5.9837 5.9969 7.1687 7.1836 11.3998 11.4059 12.9722 12.9904 13.6125 13.6155 14.1231 14.1553 14.3272 14.3349 k = 0.4000 0.4619 0.4681 ( 2098 PWs) bands (ev): -46.0673 -46.0673 -22.8049 -22.8004 -22.2015 -22.1988 -22.0481 -22.0403 -6.9078 -6.9078 5.8963 5.9060 5.9894 6.0030 7.1539 7.1693 11.4219 11.4284 12.9769 12.9956 13.6063 13.6090 14.1222 14.1552 14.3291 14.3371 k = 0.3952 0.4701 0.4681 ( 2098 PWs) bands (ev): -46.0671 -46.0671 -22.8049 -22.8002 -22.1999 -22.1970 -22.0519 -22.0438 -6.9059 -6.9059 5.8901 5.9001 5.9949 6.0090 7.1397 7.1556 11.4438 11.4507 12.9814 13.0006 13.6010 13.6033 14.1208 14.1546 14.3310 14.3392 k = 0.3905 0.4784 0.4681 ( 2106 PWs) bands (ev): -46.0668 -46.0668 -22.8049 -22.8001 -22.1984 -22.1952 -22.0557 -22.0471 -6.9041 -6.9041 5.8839 5.8942 6.0003 6.0147 7.1262 7.1425 11.4653 11.4726 12.9856 13.0053 13.5964 13.5985 14.1189 14.1535 14.3329 14.3414 k = 0.3857 0.4866 0.4681 ( 2106 PWs) bands (ev): -46.0666 -46.0666 -22.8049 -22.8000 -22.1968 -22.1934 -22.0593 -22.0504 -6.9023 -6.9023 5.8777 5.8883 6.0054 6.0202 7.1136 7.1303 11.4862 11.4939 12.9895 13.0097 13.5927 13.5946 14.1165 14.1519 14.3349 14.3436 k = 0.3810 0.4949 0.4681 ( 2106 PWs) bands (ev): -46.0664 -46.0664 -22.8049 -22.7999 -22.1953 -22.1917 -22.0629 -22.0535 -6.9007 -6.9006 5.8716 5.8824 6.0102 6.0253 7.1018 7.1188 11.5062 11.5144 12.9932 13.0137 13.5898 13.5915 14.1138 14.1500 14.3368 14.3456 k = 0.3762 0.5031 0.4681 ( 2102 PWs) bands (ev): -46.0661 -46.0661 -22.8049 -22.7998 -22.1939 -22.1900 -22.0662 -22.0564 -6.8991 -6.8990 5.8656 5.8766 6.0147 6.0301 7.0910 7.1083 11.5252 11.5338 12.9965 13.0173 13.5879 13.5894 14.1107 14.1477 14.3386 14.3477 k = 0.3714 0.5114 0.4681 ( 2102 PWs) bands (ev): -46.0659 -46.0659 -22.8049 -22.7997 -22.1926 -22.1884 -22.0693 -22.0592 -6.8976 -6.8975 5.8599 5.8711 6.0189 6.0345 7.0812 7.0988 11.5430 11.5519 12.9994 13.0206 13.5867 13.5882 14.1075 14.1451 14.3404 14.3496 k = 0.3667 0.5196 0.4681 ( 2098 PWs) bands (ev): -46.0658 -46.0658 -22.8050 -22.7996 -22.1914 -22.1870 -22.0721 -22.0617 -6.8962 -6.8961 5.8545 5.8658 6.0226 6.0385 7.0725 7.0903 11.5592 11.5685 13.0021 13.0235 13.5863 13.5878 14.1041 14.1425 14.3421 14.3514 k = 0.3619 0.5279 0.4681 ( 2098 PWs) bands (ev): -46.0656 -46.0656 -22.8050 -22.7996 -22.1904 -22.1857 -22.0747 -22.0639 -6.8950 -6.8949 5.8495 5.8610 6.0260 6.0421 7.0649 7.0829 11.5737 11.5833 13.0044 13.0260 13.5865 13.5881 14.1007 14.1398 14.3436 14.3530 k = 0.3571 0.5361 0.4681 ( 2094 PWs) bands (ev): -46.0654 -46.0654 -22.8050 -22.7996 -22.1894 -22.1845 -22.0769 -22.0658 -6.8939 -6.8938 5.8450 5.8566 6.0289 6.0452 7.0584 7.0766 11.5864 11.5963 13.0063 13.0281 13.5873 13.5889 14.0974 14.1371 14.3450 14.3545 k = 0.3524 0.5444 0.4681 ( 2090 PWs) bands (ev): -46.0653 -46.0653 -22.8051 -22.7996 -22.1887 -22.1835 -22.0788 -22.0674 -6.8930 -6.8929 5.8411 5.8528 6.0314 6.0477 7.0531 7.0714 11.5970 11.6071 13.0079 13.0298 13.5884 13.5901 14.0945 14.1347 14.3462 14.3558 k = 0.3476 0.5526 0.4681 ( 2086 PWs) bands (ev): -46.0652 -46.0652 -22.8051 -22.7996 -22.1881 -22.1828 -22.0803 -22.0687 -6.8923 -6.8922 5.8380 5.8497 6.0333 6.0498 7.0489 7.0673 11.6054 11.6157 13.0091 13.0312 13.5897 13.5916 14.0919 14.1326 14.3472 14.3568 k = 0.3429 0.5609 0.4681 ( 2090 PWs) bands (ev): -46.0651 -46.0651 -22.8052 -22.7996 -22.1876 -22.1822 -22.0814 -22.0697 -6.8917 -6.8917 5.8356 5.8473 6.0347 6.0513 7.0460 7.0644 11.6114 11.6219 13.0099 13.0321 13.5909 13.5929 14.0899 14.1310 14.3479 14.3576 k = 0.3381 0.5691 0.4681 ( 2094 PWs) bands (ev): -46.0651 -46.0651 -22.8052 -22.7996 -22.1874 -22.1819 -22.0820 -22.0702 -6.8914 -6.8913 5.8340 5.8459 6.0356 6.0522 7.0442 7.0627 11.6151 11.6256 13.0105 13.0327 13.5918 13.5939 14.0886 14.1300 14.3484 14.3580 k = 0.3333 0.5774 0.4681 ( 2094 PWs) bands (ev): -46.0651 -46.0651 -22.8052 -22.7996 -22.1873 -22.1818 -22.0822 -22.0704 -6.8913 -6.8912 5.8335 5.8453 6.0359 6.0525 7.0436 7.0621 11.6164 11.6269 13.0106 13.0329 13.5922 13.5943 14.0882 14.1296 14.3485 14.3582 k = 0.3333 0.5774 0.4681 ( 2094 PWs) bands (ev): -46.0651 -46.0651 -22.8052 -22.7996 -22.1873 -22.1818 -22.0822 -22.0704 -6.8913 -6.8912 5.8335 5.8453 6.0359 6.0525 7.0436 7.0621 11.6164 11.6269 13.0106 13.0329 13.5922 13.5943 14.0882 14.1296 14.3485 14.3582 k = 0.3286 0.5691 0.4681 ( 2094 PWs) bands (ev): -46.0651 -46.0651 -22.8052 -22.7996 -22.1874 -22.1819 -22.0820 -22.0702 -6.8914 -6.8913 5.8341 5.8459 6.0356 6.0522 7.0442 7.0626 11.6151 11.6256 13.0105 13.0327 13.5917 13.5938 14.0887 14.1300 14.3484 14.3580 k = 0.3238 0.5609 0.4681 ( 2090 PWs) bands (ev): -46.0651 -46.0651 -22.8051 -22.7996 -22.1876 -22.1822 -22.0814 -22.0697 -6.8918 -6.8917 5.8358 5.8476 6.0347 6.0512 7.0460 7.0644 11.6114 11.6219 13.0100 13.0321 13.5902 13.5922 14.0901 14.1311 14.3479 14.3575 k = 0.3190 0.5526 0.4681 ( 2086 PWs) bands (ev): -46.0652 -46.0652 -22.8051 -22.7995 -22.1880 -22.1827 -22.0804 -22.0688 -6.8924 -6.8923 5.8388 5.8506 6.0331 6.0496 7.0489 7.0673 11.6053 11.6156 13.0091 13.0313 13.5875 13.5891 14.0924 14.1330 14.3469 14.3566 k = 0.3143 0.5444 0.4681 ( 2082 PWs) bands (ev): -46.0653 -46.0653 -22.8050 -22.7995 -22.1884 -22.1833 -22.0790 -22.0675 -6.8932 -6.8931 5.8431 5.8548 6.0309 6.0473 7.0530 7.0713 11.5969 11.6070 13.0080 13.0300 13.5833 13.5846 14.0956 14.1354 14.3456 14.3552 k = 0.3095 0.5361 0.4681 ( 2086 PWs) bands (ev): -46.0655 -46.0655 -22.8049 -22.7994 -22.1890 -22.1840 -22.0772 -22.0660 -6.8943 -6.8943 5.8489 5.8605 6.0279 6.0442 7.0582 7.0764 11.5862 11.5961 13.0066 13.0285 13.5775 13.5783 14.0994 14.1383 14.3439 14.3534 k = 0.3048 0.5279 0.4681 ( 2098 PWs) bands (ev): -46.0657 -46.0657 -22.8047 -22.7993 -22.1896 -22.1847 -22.0751 -22.0642 -6.8957 -6.8957 5.8561 5.8677 6.0243 6.0404 7.0645 7.0826 11.5733 11.5831 13.0048 13.0266 13.5701 13.5703 14.1037 14.1415 14.3417 14.3512 k = 0.3000 0.5196 0.4681 ( 2102 PWs) bands (ev): -46.0659 -46.0659 -22.8045 -22.7992 -22.1902 -22.1856 -22.0728 -22.0621 -6.8974 -6.8973 5.8649 5.8765 6.0199 6.0359 7.0719 7.0899 11.5585 11.5680 13.0028 13.0245 13.5605 13.5610 14.1080 14.1446 14.3390 14.3484 k = 0.2952 0.5114 0.4681 ( 2098 PWs) bands (ev): -46.0662 -46.0662 -22.8043 -22.7990 -22.1908 -22.1864 -22.0702 -22.0598 -6.8994 -6.8993 5.8753 5.8869 6.0148 6.0306 7.0804 7.0983 11.5419 11.5511 13.0005 13.0221 13.5490 13.5503 14.1122 14.1474 14.3359 14.3452 k = 0.2905 0.5031 0.4681 ( 2102 PWs) bands (ev): -46.0665 -46.0665 -22.8040 -22.7988 -22.1915 -22.1872 -22.0673 -22.0572 -6.9016 -6.9015 5.8874 5.8989 6.0089 6.0245 7.0899 7.1077 11.5236 11.5326 12.9980 13.0194 13.5359 13.5379 14.1158 14.1495 14.3322 14.3415 k = 0.2857 0.4949 0.4681 ( 2104 PWs) bands (ev): -46.0669 -46.0669 -22.8037 -22.7986 -22.1921 -22.1880 -22.0643 -22.0544 -6.9041 -6.9040 5.9013 5.9127 6.0021 6.0175 7.1006 7.1182 11.5039 11.5125 12.9953 13.0164 13.5212 13.5240 14.1185 14.1506 14.3280 14.3372 k = 0.2810 0.4866 0.4681 ( 2112 PWs) bands (ev): -46.0673 -46.0673 -22.8033 -22.7983 -22.1926 -22.1887 -22.0610 -22.0515 -6.9069 -6.9068 5.9168 5.9283 5.9945 6.0098 7.1122 7.1297 11.4829 11.4912 12.9923 13.0133 13.5050 13.5087 14.1198 14.1503 14.3232 14.3323 k = 0.2762 0.4784 0.4681 ( 2108 PWs) bands (ev): -46.0678 -46.0678 -22.8028 -22.7980 -22.1930 -22.1893 -22.0577 -22.0484 -6.9100 -6.9099 5.9341 5.9457 5.9861 6.0012 7.1248 7.1422 11.4608 11.4689 12.9891 13.0099 13.4875 13.4920 14.1195 14.1483 14.3179 14.3269 k = 0.2714 0.4701 0.4681 ( 2108 PWs) bands (ev): -46.0683 -46.0683 -22.8023 -22.7976 -22.1934 -22.1898 -22.0541 -22.0451 -6.9134 -6.9133 5.9529 5.9647 5.9769 5.9921 7.1384 7.1556 11.4379 11.4457 12.9858 13.0064 13.4688 13.4740 14.1172 14.1443 14.3119 14.3209 k = 0.2667 0.4619 0.4681 ( 2102 PWs) bands (ev): -46.0688 -46.0688 -22.8017 -22.7971 -22.1937 -22.1902 -22.0504 -22.0417 -6.9170 -6.9170 5.9660 5.9701 5.9855 5.9866 7.1530 7.1701 11.4143 11.4218 12.9823 13.0027 13.4489 13.4549 14.1127 14.1381 14.3054 14.3143 k = 0.2619 0.4536 0.4681 ( 2102 PWs) bands (ev): -46.0694 -46.0694 -22.8011 -22.7966 -22.1938 -22.1904 -22.0466 -22.0382 -6.9210 -6.9209 5.9548 5.9666 6.0005 6.0095 7.1685 7.1854 11.3903 11.3976 12.9787 12.9988 13.4279 13.4347 14.1055 14.1293 14.2983 14.3071 k = 0.2571 0.4454 0.4681 ( 2102 PWs) bands (ev): -46.0700 -46.0700 -22.8004 -22.7961 -22.1938 -22.1906 -22.0428 -22.0346 -6.9252 -6.9251 5.9425 5.9549 6.0247 6.0345 7.1850 7.2017 11.3661 11.3731 12.9750 12.9949 13.4061 13.4135 14.0957 14.1178 14.2905 14.2993 k = 0.2524 0.4371 0.4681 ( 2102 PWs) bands (ev): -46.0707 -46.0707 -22.7996 -22.7955 -22.1937 -22.1905 -22.0388 -22.0309 -6.9297 -6.9296 5.9291 5.9414 6.0514 6.0614 7.2024 7.2189 11.3418 11.3486 12.9712 12.9909 13.3833 13.3914 14.0829 14.1034 14.2822 14.2909 k = 0.2476 0.4289 0.4681 ( 2102 PWs) bands (ev): -46.0714 -46.0714 -22.7988 -22.7948 -22.1934 -22.1904 -22.0347 -22.0271 -6.9344 -6.9344 5.9147 5.9267 6.0803 6.0903 7.2206 7.2370 11.3177 11.3243 12.9673 12.9868 13.3598 13.3685 14.0671 14.0859 14.2732 14.2819 k = 0.2429 0.4206 0.4681 ( 2106 PWs) bands (ev): -46.0721 -46.0721 -22.7979 -22.7941 -22.1930 -22.1900 -22.0306 -22.0232 -6.9394 -6.9394 5.8992 5.9109 6.1111 6.1211 7.2397 7.2559 11.2940 11.3004 12.9635 12.9828 13.3356 13.3449 14.0481 14.0653 14.2635 14.2722 k = 0.2381 0.4124 0.4681 ( 2106 PWs) bands (ev): -46.0729 -46.0729 -22.7970 -22.7933 -22.1924 -22.1895 -22.0264 -22.0193 -6.9447 -6.9446 5.8826 5.8939 6.1438 6.1539 7.2596 7.2757 11.2709 11.2771 12.9597 12.9787 13.3107 13.3207 14.0259 14.0416 14.2533 14.2619 k = 0.2333 0.4041 0.4681 ( 2106 PWs) bands (ev): -46.0738 -46.0738 -22.7960 -22.7925 -22.1916 -22.1888 -22.0221 -22.0153 -6.9502 -6.9501 5.8648 5.8758 6.1785 6.1885 7.2803 7.2963 11.2485 11.2545 12.9560 12.9748 13.2852 13.2958 14.0006 14.0147 14.2424 14.2510 k = 0.2286 0.3959 0.4681 ( 2106 PWs) bands (ev): -46.0746 -46.0746 -22.7950 -22.7916 -22.1907 -22.1880 -22.0178 -22.0112 -6.9559 -6.9558 5.8459 5.8564 6.2150 6.2250 7.3019 7.3176 11.2270 11.2329 12.9523 12.9709 13.2593 13.2703 13.9722 13.9848 14.2308 14.2395 k = 0.2238 0.3876 0.4681 ( 2102 PWs) bands (ev): -46.0755 -46.0755 -22.7940 -22.7907 -22.1896 -22.1870 -22.0134 -22.0071 -6.9618 -6.9618 5.8258 5.8360 6.2534 6.2634 7.3241 7.3397 11.2067 11.2124 12.9488 12.9672 13.2328 13.2444 13.9406 13.9517 14.2187 14.2273 k = 0.2190 0.3794 0.4681 ( 2106 PWs) bands (ev): -46.0765 -46.0765 -22.7929 -22.7898 -22.1883 -22.1858 -22.0090 -22.0029 -6.9679 -6.9679 5.8046 5.8143 6.2936 6.3035 7.3471 7.3625 11.1876 11.1932 12.9456 12.9637 13.2059 13.2180 13.9062 13.9158 14.2060 14.2145 k = 0.2143 0.3712 0.4681 ( 2106 PWs) bands (ev): -46.0775 -46.0775 -22.7917 -22.7888 -22.1869 -22.1844 -22.0046 -21.9987 -6.9742 -6.9742 5.7822 5.7914 6.3356 6.3454 7.3708 7.3861 11.1699 11.1754 12.9425 12.9604 13.1787 13.1913 13.8690 13.8771 14.1926 14.2012 k = 0.2095 0.3629 0.4681 ( 2106 PWs) bands (ev): -46.0785 -46.0785 -22.7906 -22.7878 -22.1853 -22.1829 -22.0001 -21.9945 -6.9807 -6.9807 5.7586 5.7674 6.3793 6.3891 7.3952 7.4103 11.1537 11.1592 12.9397 12.9574 13.1511 13.1641 13.8291 13.8358 14.1787 14.1872 k = 0.2048 0.3547 0.4681 ( 2102 PWs) bands (ev): -46.0795 -46.0795 -22.7894 -22.7868 -22.1836 -22.1812 -21.9956 -21.9902 -6.9874 -6.9874 5.7339 5.7422 6.4247 6.4344 7.4202 7.4351 11.1392 11.1446 12.9373 12.9548 13.1232 13.1367 13.7868 13.7921 14.1641 14.1726 k = 0.2000 0.3464 0.4681 ( 2098 PWs) bands (ev): -46.0806 -46.0806 -22.7882 -22.7858 -22.1816 -22.1793 -21.9910 -21.9859 -6.9942 -6.9942 5.7080 5.7159 6.4716 6.4813 7.4458 7.4605 11.1264 11.1318 12.9352 12.9525 13.0951 13.1090 13.7423 13.7462 14.1490 14.1575 k = 0.1952 0.3382 0.4681 ( 2098 PWs) bands (ev): -46.0817 -46.0817 -22.7870 -22.7847 -22.1796 -22.1773 -21.9865 -21.9815 -7.0012 -7.0011 5.6810 5.6885 6.5201 6.5298 7.4720 7.4865 11.1155 11.1209 12.9335 12.9507 13.0667 13.0810 13.6958 13.6983 14.1334 14.1418 k = 0.1905 0.3299 0.4681 ( 2098 PWs) bands (ev): -46.0829 -46.0829 -22.7858 -22.7837 -22.1774 -22.1752 -21.9819 -21.9772 -7.0082 -7.0082 5.6529 5.6600 6.5701 6.5797 7.4986 7.5129 11.1065 11.1119 12.9321 12.9494 13.0382 13.0528 13.6476 13.6487 14.1172 14.1256 k = 0.1857 0.3217 0.4681 ( 2098 PWs) bands (ev): -46.0840 -46.0840 -22.7846 -22.7826 -22.1750 -22.1729 -21.9772 -21.9728 -7.0154 -7.0153 5.6238 5.6305 6.6214 6.6310 7.5258 7.5399 11.0996 11.1049 12.9311 12.9487 13.0098 13.0243 13.5976 13.5978 14.1005 14.1089 k = 0.1810 0.3134 0.4681 ( 2098 PWs) bands (ev): -46.0852 -46.0852 -22.7834 -22.7816 -22.1725 -22.1704 -21.9726 -21.9684 -7.0226 -7.0226 5.5937 5.5999 6.6740 6.6835 7.5534 7.5673 11.0947 11.1000 12.9301 12.9485 12.9819 12.9958 13.5452 13.5468 14.0832 14.0916 k = 0.1762 0.3052 0.4681 ( 2102 PWs) bands (ev): -46.0864 -46.0864 -22.7823 -22.7805 -22.1699 -22.1679 -21.9679 -21.9639 -7.0299 -7.0299 5.5627 5.5685 6.7279 6.7373 7.5813 7.5951 11.0919 11.0972 12.9268 12.9487 12.9566 12.9674 13.4918 13.4947 14.0655 14.0739 k = 0.1714 0.2969 0.4681 ( 2102 PWs) bands (ev): -46.0876 -46.0876 -22.7811 -22.7795 -22.1671 -22.1652 -21.9632 -21.9594 -7.0373 -7.0373 5.5307 5.5362 6.7828 6.7923 7.6096 7.6232 11.0913 11.0966 12.9122 12.9368 12.9432 12.9515 13.4377 13.4419 14.0474 14.0557 k = 0.1667 0.2887 0.4681 ( 2098 PWs) bands (ev): -46.0888 -46.0888 -22.7800 -22.7785 -22.1643 -22.1624 -21.9585 -21.9550 -7.0447 -7.0447 5.4980 5.5031 6.8388 6.8482 7.6382 7.6516 11.0927 11.0981 12.8862 12.9082 12.9419 12.9531 13.3831 13.3886 14.0288 14.0370 k = 0.1619 0.2804 0.4681 ( 2098 PWs) bands (ev): -46.0900 -46.0900 -22.7789 -22.7775 -22.1613 -22.1596 -21.9538 -21.9505 -7.0521 -7.0521 5.4646 5.4693 6.8957 6.9050 7.6670 7.6802 11.0964 11.1017 12.8575 12.8789 12.9440 12.9559 13.3282 13.3350 14.0099 14.0180 k = 0.1571 0.2722 0.4681 ( 2100 PWs) bands (ev): -46.0913 -46.0913 -22.7779 -22.7766 -22.1583 -22.1566 -21.9491 -21.9460 -7.0596 -7.0595 5.4305 5.4348 6.9534 6.9626 7.6961 7.7090 11.1021 11.1075 12.8278 12.8494 12.9476 12.9598 13.2733 13.2813 13.9905 13.9986 k = 0.1524 0.2639 0.4681 ( 2096 PWs) bands (ev): -46.0925 -46.0925 -22.7769 -22.7757 -22.1552 -22.1536 -21.9444 -21.9414 -7.0670 -7.0670 5.3959 5.3999 7.0117 7.0209 7.7252 7.7379 11.1100 11.1153 12.7977 12.8197 12.9525 12.9645 13.2186 13.2279 13.9709 13.9789 k = 0.1476 0.2557 0.4681 ( 2100 PWs) bands (ev): -46.0938 -46.0938 -22.7759 -22.7749 -22.1520 -22.1505 -21.9396 -21.9369 -7.0744 -7.0743 5.3608 5.3645 7.0706 7.0798 7.7544 7.7669 11.1199 11.1253 12.7673 12.7898 12.9584 12.9702 13.1645 13.1749 13.9509 13.9589 k = 0.1429 0.2474 0.4681 ( 2100 PWs) bands (ev): -46.0950 -46.0950 -22.7750 -22.7740 -22.1488 -22.1474 -21.9349 -21.9324 -7.0817 -7.0817 5.3254 5.3287 7.1300 7.1390 7.7836 7.7958 11.1319 11.1372 12.7366 12.7596 12.9652 12.9767 13.1113 13.1228 13.9307 13.9386 k = 0.1381 0.2392 0.4681 ( 2104 PWs) bands (ev): -46.0963 -46.0963 -22.7741 -22.7733 -22.1456 -22.1442 -21.9302 -21.9279 -7.0890 -7.0889 5.2897 5.2927 7.1896 7.1986 7.8128 7.8247 11.1458 11.1511 12.7056 12.7291 12.9727 12.9832 13.0600 13.0720 13.9103 13.9181 k = 0.1333 0.2309 0.4681 ( 2104 PWs) bands (ev): -46.0975 -46.0975 -22.7733 -22.7725 -22.1423 -22.1410 -21.9255 -21.9233 -7.0962 -7.0961 5.2539 5.2566 7.2493 7.2582 7.8418 7.8535 11.1617 11.1669 12.6744 12.6983 12.9783 12.9833 13.0175 13.0252 13.8897 13.8974 k = 0.1286 0.2227 0.4681 ( 2108 PWs) bands (ev): -46.0987 -46.0987 -22.7725 -22.7719 -22.1390 -22.1379 -21.9208 -21.9188 -7.1033 -7.1032 5.2181 5.2205 7.3091 7.3179 7.8707 7.8821 11.1793 11.1846 12.6428 12.6672 12.9488 12.9607 13.0041 13.0120 13.8691 13.8766 k = 0.1238 0.2144 0.4681 ( 2108 PWs) bands (ev): -46.0999 -46.0999 -22.7718 -22.7712 -22.1357 -22.1347 -21.9161 -21.9143 -7.1102 -7.1102 5.1823 5.1845 7.3687 7.3774 7.8993 7.9104 11.1987 11.2040 12.6110 12.6357 12.9018 12.9170 13.0116 13.0215 13.8483 13.8558 k = 0.1190 0.2062 0.4681 ( 2108 PWs) bands (ev): -46.1011 -46.1011 -22.7712 -22.7706 -22.1325 -22.1315 -21.9115 -21.9099 -7.1171 -7.1171 5.1467 5.1487 7.4280 7.4366 7.9275 7.9384 11.2198 11.2250 12.5790 12.6039 12.8549 12.8710 13.0239 13.0339 13.8276 13.8349 k = 0.1143 0.1979 0.4681 ( 2104 PWs) bands (ev): -46.1023 -46.1023 -22.7706 -22.7701 -22.1293 -22.1284 -21.9069 -21.9054 -7.1238 -7.1238 5.1114 5.1132 7.4868 7.4953 7.9554 7.9660 11.2425 11.2476 12.5467 12.5716 12.8092 12.8259 13.0382 13.0480 13.8068 13.8140 k = 0.1095 0.1897 0.4681 ( 2102 PWs) bands (ev): -46.1035 -46.1035 -22.7700 -22.7696 -22.1261 -22.1253 -21.9024 -21.9011 -7.1304 -7.1304 5.0766 5.0781 7.5451 7.5534 7.9829 7.9932 11.2666 11.2717 12.5143 12.5390 12.7651 12.7822 13.0541 13.0635 13.7862 13.7933 k = 0.1048 0.1815 0.4681 ( 2106 PWs) bands (ev): -46.1046 -46.1046 -22.7695 -22.7692 -22.1230 -22.1223 -21.8979 -21.8967 -7.1368 -7.1368 5.0423 5.0436 7.6025 7.6107 8.0098 8.0198 11.2921 11.2971 12.4818 12.5061 12.7227 12.7398 13.0713 13.0804 13.7658 13.7727 k = 0.1000 0.1732 0.4681 ( 2106 PWs) bands (ev): -46.1057 -46.1057 -22.7691 -22.7688 -22.1200 -22.1193 -21.8935 -21.8925 -7.1430 -7.1430 5.0086 5.0098 7.6590 7.6670 8.0361 8.0458 11.3189 11.3238 12.4493 12.4731 12.6820 12.6989 13.0898 13.0985 13.7456 13.7523 k = 0.0952 0.1650 0.4681 ( 2102 PWs) bands (ev): -46.1068 -46.1068 -22.7687 -22.7684 -22.1170 -22.1164 -21.8892 -21.8883 -7.1490 -7.1490 4.9756 4.9767 7.7143 7.7222 8.0618 8.0711 11.3469 11.3516 12.4170 12.4399 12.6431 12.6595 13.1096 13.1179 13.7257 13.7322 k = 0.0905 0.1567 0.4681 ( 2100 PWs) bands (ev): -46.1078 -46.1078 -22.7683 -22.7681 -22.1142 -22.1137 -21.8849 -21.8842 -7.1548 -7.1548 4.9436 4.9444 7.7684 7.7760 8.0867 8.0957 11.3759 11.3805 12.3851 12.4070 12.6057 12.6215 13.1305 13.1384 13.7061 13.7125 k = 0.0857 0.1485 0.4681 ( 2104 PWs) bands (ev): -46.1088 -46.1088 -22.7680 -22.7678 -22.1114 -22.1110 -21.8808 -21.8801 -7.1604 -7.1604 4.9125 4.9132 7.8209 7.8284 8.1109 8.1194 11.4058 11.4103 12.3537 12.3744 12.5697 12.5847 13.1525 13.1600 13.6870 13.6931 k = 0.0810 0.1402 0.4681 ( 2104 PWs) bands (ev): -46.1098 -46.1098 -22.7678 -22.7676 -22.1088 -22.1084 -21.8768 -21.8762 -7.1657 -7.1657 4.8824 4.8831 7.8719 7.8791 8.1342 8.1424 11.4366 11.4410 12.3229 12.3424 12.5350 12.5490 13.1755 13.1826 13.6684 13.6743 k = 0.0762 0.1320 0.4681 ( 2104 PWs) bands (ev): -46.1107 -46.1107 -22.7675 -22.7674 -22.1062 -22.1059 -21.8730 -21.8725 -7.1708 -7.1708 4.8535 4.8541 7.9210 7.9279 8.1566 8.1643 11.4681 11.4724 12.2930 12.3112 12.5013 12.5144 13.1992 13.2059 13.6503 13.6560 k = 0.0714 0.1237 0.4681 ( 2114 PWs) bands (ev): -46.1116 -46.1116 -22.7673 -22.7672 -22.1038 -22.1036 -21.8692 -21.8688 -7.1757 -7.1757 4.8259 4.8264 7.9682 7.9748 8.1779 8.1853 11.5003 11.5043 12.2642 12.2810 12.4686 12.4807 13.2236 13.2299 13.6329 13.6383 k = 0.0667 0.1155 0.4681 ( 2104 PWs) bands (ev): -46.1124 -46.1124 -22.7672 -22.7671 -22.1015 -22.1013 -21.8657 -21.8654 -7.1803 -7.1802 4.7996 4.8000 8.0132 8.0195 8.1983 8.2052 11.5329 11.5368 12.2366 12.2520 12.4367 12.4477 13.2485 13.2544 13.6163 13.6214 k = 0.0619 0.1072 0.4681 ( 2104 PWs) bands (ev): -46.1132 -46.1132 -22.7670 -22.7670 -22.0994 -22.0992 -21.8623 -21.8620 -7.1846 -7.1846 4.7748 4.7751 8.0558 8.0618 8.2176 8.2241 11.5660 11.5697 12.2103 12.2244 12.4054 12.4153 13.2737 13.2791 13.6004 13.6052 k = 0.0571 0.0990 0.4681 ( 2096 PWs) bands (ev): -46.1139 -46.1139 -22.7669 -22.7669 -22.0974 -22.0973 -21.8591 -21.8589 -7.1886 -7.1886 4.7515 4.7517 8.0961 8.1017 8.2357 8.2417 11.5994 11.6029 12.1856 12.1983 12.3745 12.3835 13.2989 13.3039 13.5854 13.5899 k = 0.0524 0.0907 0.4681 ( 2096 PWs) bands (ev): -46.1146 -46.1146 -22.7668 -22.7668 -22.0956 -22.0955 -21.8561 -21.8560 -7.1923 -7.1923 4.7297 4.7299 8.1337 8.1389 8.2527 8.2582 11.6330 11.6363 12.1624 12.1739 12.3441 12.3520 13.3238 13.3284 13.5713 13.5755 k = 0.0476 0.0825 0.4681 ( 2092 PWs) bands (ev): -46.1152 -46.1152 -22.7667 -22.7667 -22.0939 -22.0938 -21.8533 -21.8532 -7.1957 -7.1957 4.7096 4.7097 8.1684 8.1732 8.2684 8.2735 11.6668 11.6698 12.1410 12.1513 12.3139 12.3209 13.3481 13.3523 13.5582 13.5621 k = 0.0429 0.0742 0.4681 ( 2096 PWs) bands (ev): -46.1158 -46.1158 -22.7667 -22.7667 -22.0924 -22.0923 -21.8508 -21.8507 -7.1989 -7.1989 4.6912 4.6913 8.2003 8.2046 8.2829 8.2875 11.7006 11.7033 12.1214 12.1304 12.2839 12.2900 13.3715 13.3753 13.5463 13.5498 k = 0.0381 0.0660 0.4681 ( 2088 PWs) bands (ev): -46.1163 -46.1163 -22.7666 -22.7666 -22.0910 -22.0909 -21.8485 -21.8484 -7.2017 -7.2017 4.6746 4.6747 8.2291 8.2329 8.2962 8.3002 11.7343 11.7368 12.1036 12.1116 12.2540 12.2594 13.3938 13.3971 13.5355 13.5386 k = 0.0333 0.0577 0.4681 ( 2084 PWs) bands (ev): -46.1168 -46.1168 -22.7666 -22.7666 -22.0897 -22.0897 -21.8464 -21.8464 -7.2042 -7.2042 4.6598 4.6599 8.2546 8.2578 8.3083 8.3117 11.7679 11.7701 12.0878 12.0947 12.2242 12.2288 13.4144 13.4172 13.5259 13.5287 k = 0.0286 0.0495 0.4681 ( 2096 PWs) bands (ev): -46.1172 -46.1172 -22.7666 -22.7666 -22.0887 -22.0887 -21.8446 -21.8446 -7.2064 -7.2064 4.6469 4.6469 8.2766 8.2793 8.3192 8.3219 11.8013 11.8032 12.0740 12.0798 12.1945 12.1984 13.4330 13.4354 13.5178 13.5201 k = 0.0238 0.0412 0.4681 ( 2092 PWs) bands (ev): -46.1176 -46.1176 -22.7666 -22.7666 -22.0878 -22.0878 -21.8431 -21.8430 -7.2082 -7.2082 4.6359 4.6359 8.2951 8.2971 8.3290 8.3310 11.8344 11.8359 12.0622 12.0669 12.1650 12.1682 13.4491 13.4511 13.5111 13.5130 k = 0.0190 0.0330 0.4681 ( 2088 PWs) bands (ev): -46.1178 -46.1178 -22.7666 -22.7666 -22.0870 -22.0870 -21.8418 -21.8418 -7.2097 -7.2097 4.6269 4.6269 8.3098 8.3110 8.3378 8.3390 11.8670 11.8681 12.0522 12.0559 12.1359 12.1384 13.4624 13.4638 13.5063 13.5077 k = 0.0143 0.0247 0.4681 ( 2090 PWs) bands (ev): -46.1181 -46.1181 -22.7666 -22.7666 -22.0865 -22.0865 -21.8408 -21.8408 -7.2109 -7.2109 4.6198 4.6198 8.3207 8.3212 8.3453 8.3459 11.8987 11.8996 12.0439 12.0465 12.1077 12.1094 13.4721 13.4729 13.5035 13.5044 k = 0.0095 0.0165 0.4681 ( 2086 PWs) bands (ev): -46.1182 -46.1182 -22.7666 -22.7666 -22.0861 -22.0861 -21.8401 -21.8401 -7.2118 -7.2118 4.6148 4.6148 8.3279 8.3281 8.3512 8.3514 11.9291 11.9295 12.0363 12.0377 12.0820 12.0830 13.4778 13.4782 13.5030 13.5033 k = 0.0048 0.0082 0.4681 ( 2082 PWs) bands (ev): -46.1183 -46.1183 -22.7666 -22.7666 -22.0858 -22.0858 -21.8396 -21.8396 -7.2123 -7.2123 4.6117 4.6117 8.3320 8.3320 8.3550 8.3550 11.9558 11.9559 12.0269 12.0272 12.0633 12.0635 13.4803 13.4803 13.5037 13.5038 k = 0.0000 0.0000 0.4681 ( 2082 PWs) bands (ev): -46.1183 -46.1183 -22.7666 -22.7666 -22.0857 -22.0857 -21.8395 -21.8395 -7.2124 -7.2124 4.6107 4.6107 8.3333 8.3333 8.3563 8.3563 11.9693 11.9693 12.0193 12.0193 12.0569 12.0569 13.4808 13.4808 13.5042 13.5042 k = 0.5000 0.2887 0.4681 ( 2092 PWs) bands (ev): -46.0710 -46.0710 -22.8048 -22.8048 -22.2222 -22.2222 -21.9933 -21.9933 -6.9349 -6.9349 5.9047 5.9047 5.9694 5.9694 7.3997 7.3997 11.1313 11.1313 12.8983 12.8983 13.7699 13.7699 14.0778 14.0778 14.3095 14.3095 k = 0.5000 0.2887 0.4585 ( 2088 PWs) bands (ev): -46.0710 -46.0710 -22.8048 -22.8046 -22.2223 -22.2220 -21.9933 -21.9933 -6.9350 -6.9348 5.8970 5.8973 5.9769 5.9774 7.4003 7.4003 11.1305 11.1306 12.8964 12.8990 13.7689 13.7719 14.0761 14.0784 14.3077 14.3100 k = 0.5000 0.2887 0.4490 ( 2086 PWs) bands (ev): -46.0710 -46.0710 -22.8048 -22.8043 -22.2223 -22.2217 -21.9934 -21.9933 -6.9352 -6.9348 5.8801 5.8807 5.9943 5.9950 7.4021 7.4022 11.1282 11.1284 12.8933 12.8986 13.7688 13.7748 14.0732 14.0778 14.3046 14.3093 k = 0.5000 0.2887 0.4394 ( 2086 PWs) bands (ev): -46.0711 -46.0711 -22.8047 -22.8040 -22.2222 -22.2213 -21.9935 -21.9933 -6.9354 -6.9348 5.8600 5.8610 6.0153 6.0164 7.4052 7.4053 11.1244 11.1247 12.8890 12.8969 13.7698 13.7787 14.0691 14.0760 14.3004 14.3074 k = 0.5000 0.2887 0.4299 ( 2094 PWs) bands (ev): -46.0712 -46.0712 -22.8045 -22.8036 -22.2221 -22.2208 -21.9935 -21.9933 -6.9357 -6.9349 5.8388 5.8402 6.0379 6.0392 7.4095 7.4096 11.1192 11.1195 12.8836 12.8940 13.7717 13.7835 14.0638 14.0730 14.2950 14.3043 k = 0.5000 0.2887 0.4203 ( 2094 PWs) bands (ev): -46.0713 -46.0713 -22.8042 -22.8031 -22.2219 -22.2203 -21.9936 -21.9933 -6.9360 -6.9351 5.8173 5.8191 6.0614 6.0629 7.4150 7.4152 11.1125 11.1129 12.8772 12.8900 13.7747 13.7891 14.0571 14.0686 14.2887 14.3002 k = 0.5000 0.2887 0.4108 ( 2090 PWs) bands (ev): -46.0714 -46.0714 -22.8038 -22.8025 -22.2216 -22.2197 -21.9937 -21.9934 -6.9364 -6.9353 5.7957 5.7980 6.0854 6.0871 7.4217 7.4219 11.1044 11.1049 12.8699 12.8849 13.7786 13.7956 14.0491 14.0627 14.2815 14.2952 k = 0.5000 0.2887 0.4012 ( 2080 PWs) bands (ev): -46.0715 -46.0715 -22.8034 -22.8018 -22.2212 -22.2190 -21.9939 -21.9935 -6.9369 -6.9356 5.7742 5.7770 6.1098 6.1116 7.4296 7.4298 11.0951 11.0956 12.8616 12.8787 13.7835 13.8029 14.0396 14.0552 14.2737 14.2894 k = 0.5000 0.2887 0.3917 ( 2092 PWs) bands (ev): -46.0717 -46.0717 -22.8028 -22.8011 -22.2207 -22.2182 -21.9940 -21.9935 -6.9374 -6.9359 5.7528 5.7561 6.1345 6.1364 7.4386 7.4389 11.0844 11.0851 12.8526 12.8717 13.7894 13.8109 14.0286 14.0460 14.2654 14.2830 k = 0.5000 0.2887 0.3821 ( 2096 PWs) bands (ev): -46.0719 -46.0719 -22.8022 -22.8003 -22.2201 -22.2174 -21.9941 -21.9936 -6.9379 -6.9363 5.7316 5.7354 6.1594 6.1614 7.4488 7.4491 11.0725 11.0733 12.8429 12.8638 13.7961 13.8195 14.0159 14.0350 14.2569 14.2761 k = 0.5000 0.2887 0.3726 ( 2098 PWs) bands (ev): -46.0720 -46.0720 -22.8015 -22.7994 -22.2195 -22.2165 -21.9943 -21.9937 -6.9385 -6.9367 5.7106 5.7149 6.1846 6.1866 7.4601 7.4604 11.0594 11.0603 12.8328 12.8553 13.8037 13.8288 14.0015 14.0220 14.2482 14.2688 k = 0.5000 0.2887 0.3630 ( 2098 PWs) bands (ev): -46.0723 -46.0723 -22.8008 -22.7985 -22.2187 -22.2155 -21.9944 -21.9938 -6.9391 -6.9372 5.6898 5.6946 6.2099 6.2120 7.4724 7.4727 11.0452 11.0463 12.8223 12.8463 13.8120 13.8386 13.9853 14.0070 14.2397 14.2614 k = 0.5000 0.2887 0.3534 ( 2098 PWs) bands (ev): -46.0725 -46.0725 -22.7999 -22.7975 -22.2179 -22.2145 -21.9946 -21.9939 -6.9398 -6.9377 5.6693 5.6746 6.2354 6.2374 7.4858 7.4862 11.0300 11.0312 12.8116 12.8370 13.8209 13.8488 13.9674 13.9898 14.2315 14.2539 k = 0.5000 0.2887 0.3439 ( 2098 PWs) bands (ev): -46.0727 -46.0727 -22.7991 -22.7964 -22.2170 -22.2133 -21.9948 -21.9941 -6.9405 -6.9383 5.6490 5.6548 6.2610 6.2630 7.5002 7.5006 11.0138 11.0151 12.8011 12.8277 13.8304 13.8593 13.9476 13.9707 14.2236 14.2465 k = 0.5000 0.2887 0.3343 ( 2106 PWs) bands (ev): -46.0730 -46.0730 -22.7981 -22.7954 -22.2161 -22.2122 -21.9949 -21.9942 -6.9413 -6.9389 5.6290 5.6352 6.2867 6.2886 7.5155 7.5159 10.9966 10.9981 12.7908 12.8184 13.8403 13.8699 13.9260 13.9496 14.2161 14.2392 k = 0.5000 0.2887 0.3248 ( 2100 PWs) bands (ev): -46.0733 -46.0733 -22.7972 -22.7942 -22.2150 -22.2110 -21.9951 -21.9943 -6.9420 -6.9396 5.6092 5.6158 6.3124 6.3142 7.5318 7.5322 10.9785 10.9801 12.7810 12.8096 13.8506 13.8801 13.9027 13.9270 14.2090 14.2321 k = 0.5000 0.2887 0.3152 ( 2100 PWs) bands (ev): -46.0735 -46.0735 -22.7961 -22.7931 -22.2140 -22.2097 -21.9953 -21.9944 -6.9429 -6.9403 5.5896 5.5967 6.3382 6.3399 7.5489 7.5494 10.9596 10.9613 12.7719 12.8014 13.8608 13.8780 13.8864 13.9066 14.2024 14.2251 k = 0.5000 0.2887 0.3057 ( 2100 PWs) bands (ev): -46.0738 -46.0738 -22.7951 -22.7919 -22.2128 -22.2084 -21.9954 -21.9946 -6.9437 -6.9411 5.5704 5.5778 6.3640 6.3655 7.5669 7.5673 10.9398 10.9417 12.7638 12.7940 13.8509 13.8700 13.8719 13.9071 14.1962 14.2185 k = 0.5000 0.2887 0.2961 ( 2100 PWs) bands (ev): -46.0741 -46.0741 -22.7940 -22.7907 -22.2116 -22.2070 -21.9956 -21.9947 -6.9446 -6.9418 5.5513 5.5592 6.3898 6.3912 7.5856 7.5860 10.9192 10.9212 12.7569 12.7878 13.8232 13.8429 13.8823 13.9166 14.1904 14.2120 k = 0.5000 0.2887 0.2866 ( 2098 PWs) bands (ev): -46.0745 -46.0745 -22.7929 -22.7896 -22.2103 -22.2056 -21.9957 -21.9948 -6.9455 -6.9427 5.5325 5.5408 6.4156 6.4168 7.6050 7.6054 10.8979 10.9000 12.7514 12.7829 13.7940 13.8134 13.8925 13.9268 14.1849 14.2058 k = 0.5000 0.2887 0.2770 ( 2098 PWs) bands (ev): -46.0748 -46.0748 -22.7918 -22.7884 -22.2090 -22.2042 -21.9958 -21.9949 -6.9464 -6.9435 5.5140 5.5226 6.4413 6.4423 7.6250 7.6255 10.8758 10.8780 12.7475 12.7796 13.7636 13.7824 13.9026 13.9368 14.1796 14.1999 k = 0.5000 0.2887 0.2675 ( 2100 PWs) bands (ev): -46.0751 -46.0751 -22.7906 -22.7872 -22.2076 -22.2027 -21.9960 -21.9950 -6.9473 -6.9444 5.4958 5.5046 6.4669 6.4677 7.6456 7.6461 10.8530 10.8553 12.7455 12.7781 13.7322 13.7504 13.9122 13.9465 14.1747 14.1942 k = 0.5000 0.2887 0.2579 ( 2100 PWs) bands (ev): -46.0754 -46.0754 -22.7895 -22.7860 -22.2062 -22.2013 -21.9961 -21.9951 -6.9483 -6.9453 5.4779 5.4869 6.4923 6.4929 7.6667 7.6672 10.8296 10.8320 12.7455 12.7785 13.7000 13.7174 13.9213 13.9556 14.1700 14.1887 k = 0.5000 0.2887 0.2484 ( 2100 PWs) bands (ev): -46.0758 -46.0758 -22.7883 -22.7848 -22.2048 -22.1998 -21.9962 -21.9952 -6.9493 -6.9463 5.4602 5.4695 6.5176 6.5180 7.6882 7.6887 10.8056 10.8080 12.7476 12.7810 13.6670 13.6837 13.9297 13.9640 14.1654 14.1834 k = 0.5000 0.2887 0.2388 ( 2104 PWs) bands (ev): -46.0761 -46.0761 -22.7872 -22.7836 -22.2033 -22.1983 -21.9963 -21.9953 -6.9502 -6.9472 5.4429 5.4524 6.5427 6.5429 7.7100 7.7106 10.7810 10.7835 12.7521 12.7859 13.6336 13.6494 13.9374 13.9717 14.1611 14.1783 k = 0.5000 0.2887 0.2293 ( 2108 PWs) bands (ev): -46.0764 -46.0764 -22.7860 -22.7825 -22.2019 -22.1968 -21.9963 -21.9953 -6.9512 -6.9482 5.4260 5.4355 6.5676 6.5676 7.7321 7.7327 10.7560 10.7586 12.7590 12.7931 13.5997 13.6148 13.9443 13.9785 14.1570 14.1734 k = 0.5000 0.2887 0.2197 ( 2116 PWs) bands (ev): -46.0768 -46.0768 -22.7849 -22.7814 -22.2004 -22.1953 -21.9964 -21.9954 -6.9522 -6.9492 5.4093 5.4190 6.5920 6.5922 7.7544 7.7550 10.7306 10.7332 12.7684 12.8028 13.5656 13.5800 13.9502 13.9843 14.1530 14.1686 k = 0.5000 0.2887 0.2102 ( 2112 PWs) bands (ev): -46.0771 -46.0771 -22.7838 -22.7803 -22.1989 -22.1939 -21.9964 -21.9954 -6.9531 -6.9501 5.3931 5.4028 6.6161 6.6165 7.7768 7.7774 10.7049 10.7075 12.7804 12.8150 13.5315 13.5451 13.9550 13.9891 14.1491 14.1641 k = 0.5000 0.2887 0.2006 ( 2112 PWs) bands (ev): -46.0774 -46.0774 -22.7827 -22.7792 -22.1974 -22.1924 -21.9965 -21.9955 -6.9541 -6.9511 5.3773 5.3869 6.6398 6.6403 7.7992 7.7997 10.6790 10.6815 12.7949 12.8298 13.4975 13.5104 13.9588 13.9927 14.1454 14.1597 k = 0.5000 0.2887 0.1911 ( 2108 PWs) bands (ev): -46.0778 -46.0778 -22.7816 -22.7782 -22.1959 -22.1910 -21.9965 -21.9955 -6.9550 -6.9521 5.3619 5.3715 6.6631 6.6638 7.8215 7.8220 10.6530 10.6555 12.8120 12.8471 13.4637 13.4759 13.9613 13.9951 14.1419 14.1554 k = 0.5000 0.2887 0.1815 ( 2108 PWs) bands (ev): -46.0781 -46.0781 -22.7806 -22.7773 -22.1944 -22.1897 -21.9964 -21.9955 -6.9559 -6.9531 5.3470 5.3564 6.6859 6.6868 7.8436 7.8441 10.6270 10.6294 12.8317 12.8670 13.4303 13.4418 13.9625 13.9962 14.1385 14.1514 k = 0.5000 0.2887 0.1719 ( 2104 PWs) bands (ev): -46.0784 -46.0784 -22.7796 -22.7763 -22.1929 -22.1883 -21.9964 -21.9955 -6.9568 -6.9541 5.3326 5.3419 6.7083 6.7092 7.8654 7.8659 10.6011 10.6035 12.8538 12.8893 13.3975 13.4084 13.9624 13.9959 14.1352 14.1474 k = 0.5000 0.2887 0.1624 ( 2108 PWs) bands (ev): -46.0787 -46.0787 -22.7786 -22.7755 -22.1915 -22.1870 -21.9964 -21.9955 -6.9577 -6.9550 5.3188 5.3278 6.7300 6.7311 7.8867 7.8873 10.5756 10.5778 12.8784 12.9140 13.3654 13.3756 13.9608 13.9941 14.1321 14.1437 k = 0.5000 0.2887 0.1528 ( 2108 PWs) bands (ev): -46.0790 -46.0790 -22.7777 -22.7746 -22.1901 -22.1858 -21.9963 -21.9954 -6.9585 -6.9559 5.3055 5.3142 6.7510 6.7522 7.9077 7.9082 10.5504 10.5526 12.9052 12.9409 13.3341 13.3438 13.9576 13.9908 14.1292 14.1400 k = 0.5000 0.2887 0.1433 ( 2108 PWs) bands (ev): -46.0793 -46.0793 -22.7768 -22.7739 -22.1887 -22.1846 -21.9962 -21.9954 -6.9593 -6.9568 5.2928 5.3012 6.7714 6.7726 7.9280 7.9285 10.5258 10.5278 12.9341 12.9699 13.3039 13.3131 13.9529 13.9859 14.1264 14.1366 k = 0.5000 0.2887 0.1337 ( 2110 PWs) bands (ev): -46.0795 -46.0795 -22.7759 -22.7731 -22.1874 -22.1835 -21.9961 -21.9953 -6.9601 -6.9577 5.2807 5.2888 6.7909 6.7922 7.9476 7.9480 10.5019 10.5038 12.9649 13.0007 13.2749 13.2835 13.9465 13.9793 14.1238 14.1333 k = 0.5000 0.2887 0.1242 ( 2102 PWs) bands (ev): -46.0798 -46.0798 -22.7751 -22.7725 -22.1862 -22.1824 -21.9961 -21.9953 -6.9608 -6.9586 5.2693 5.2770 6.8096 6.8109 7.9664 7.9668 10.4788 10.4806 12.9974 13.0333 13.2471 13.2553 13.9384 13.9710 14.1213 14.1301 k = 0.5000 0.2887 0.1146 ( 2102 PWs) bands (ev): -46.0800 -46.0800 -22.7743 -22.7719 -22.1850 -22.1815 -21.9959 -21.9952 -6.9615 -6.9594 5.2587 5.2659 6.8273 6.8286 7.9843 7.9847 10.4568 10.4584 13.0314 13.0673 13.2208 13.2287 13.9287 13.9609 14.1191 14.1272 k = 0.5000 0.2887 0.1051 ( 2100 PWs) bands (ev): -46.0803 -46.0803 -22.7736 -22.7713 -22.1838 -22.1806 -21.9958 -21.9952 -6.9621 -6.9602 5.2487 5.2555 6.8440 6.8453 8.0012 8.0016 10.4358 10.4374 13.0664 13.1024 13.1961 13.2038 13.9172 13.9491 14.1170 14.1244 k = 0.5000 0.2887 0.0955 ( 2100 PWs) bands (ev): -46.0805 -46.0805 -22.7729 -22.7708 -22.1827 -22.1797 -21.9957 -21.9951 -6.9627 -6.9609 5.2396 5.2459 6.8595 6.8608 8.0170 8.0174 10.4162 10.4176 13.1016 13.1384 13.1731 13.1814 13.9041 13.9356 14.1151 14.1218 k = 0.5000 0.2887 0.0860 ( 2106 PWs) bands (ev): -46.0807 -46.0807 -22.7723 -22.7704 -22.1817 -22.1790 -21.9956 -21.9950 -6.9632 -6.9616 5.2312 5.2370 6.8739 6.8751 8.0316 8.0319 10.3980 10.3992 13.1329 13.1519 13.1653 13.1747 13.8895 13.9203 14.1134 14.1194 k = 0.5000 0.2887 0.0764 ( 2106 PWs) bands (ev): -46.0809 -46.0809 -22.7717 -22.7700 -22.1808 -22.1784 -21.9955 -21.9950 -6.9637 -6.9622 5.2237 5.2289 6.8870 6.8881 8.0449 8.0453 10.3813 10.3824 13.1326 13.1328 13.1828 13.2110 13.8735 13.9036 14.1118 14.1172 k = 0.5000 0.2887 0.0669 ( 2106 PWs) bands (ev): -46.0810 -46.0810 -22.7712 -22.7697 -22.1800 -22.1778 -21.9954 -21.9949 -6.9641 -6.9628 5.2170 5.2216 6.8988 6.8998 8.0569 8.0572 10.3663 10.3673 13.1154 13.1174 13.2173 13.2467 13.8564 13.8855 14.1105 14.1152 k = 0.5000 0.2887 0.0573 ( 2102 PWs) bands (ev): -46.0811 -46.0811 -22.7707 -22.7694 -22.1792 -22.1773 -21.9953 -21.9949 -6.9644 -6.9633 5.2113 5.2152 6.9091 6.9100 8.0675 8.0677 10.3530 10.3539 13.1003 13.1024 13.2525 13.2811 13.8387 13.8664 14.1094 14.1134 k = 0.5000 0.2887 0.0478 ( 2106 PWs) bands (ev): -46.0813 -46.0813 -22.7703 -22.7692 -22.1785 -22.1770 -21.9952 -21.9949 -6.9647 -6.9637 5.2064 5.2097 6.9180 6.9188 8.0765 8.0767 10.3417 10.3424 13.0874 13.0894 13.2866 13.3132 13.8211 13.8467 14.1085 14.1118 k = 0.5000 0.2887 0.0382 ( 2110 PWs) bands (ev): -46.0814 -46.0814 -22.7700 -22.7691 -22.1780 -22.1767 -21.9951 -21.9948 -6.9649 -6.9641 5.2024 5.2051 6.9254 6.9261 8.0840 8.0842 10.3322 10.3328 13.0767 13.0784 13.3183 13.3421 13.8044 13.8272 14.1079 14.1105 k = 0.5000 0.2887 0.0287 ( 2110 PWs) bands (ev): -46.0814 -46.0814 -22.7697 -22.7690 -22.1775 -22.1765 -21.9950 -21.9948 -6.9650 -6.9645 5.1994 5.2015 6.9312 6.9317 8.0899 8.0900 10.3249 10.3253 13.0685 13.0698 13.3464 13.3662 13.7899 13.8089 14.1074 14.1094 k = 0.5000 0.2887 0.0191 ( 2118 PWs) bands (ev): -46.0815 -46.0815 -22.7694 -22.7690 -22.1771 -22.1764 -21.9950 -21.9948 -6.9651 -6.9647 5.1974 5.1987 6.9354 6.9357 8.0941 8.0942 10.3196 10.3198 13.0626 13.0635 13.3696 13.3839 13.7790 13.7929 14.1072 14.1085 k = 0.5000 0.2887 0.0096 ( 2122 PWs) bands (ev): -46.0815 -46.0815 -22.7692 -22.7690 -22.1768 -22.1764 -21.9949 -21.9948 -6.9651 -6.9649 5.1963 5.1970 6.9380 6.9381 8.0967 8.0967 10.3164 10.3165 13.0592 13.0596 13.3861 13.3937 13.7734 13.7807 14.1071 14.1078 k = 0.5000 0.2887-0.0000 ( 2122 PWs) bands (ev): -46.0815 -46.0815 -22.7691 -22.7691 -22.1766 -22.1766 -21.9949 -21.9949 -6.9651 -6.9651 5.1961 5.1961 6.9389 6.9389 8.0975 8.0975 10.3154 10.3154 13.0582 13.0582 13.3945 13.3945 13.7739 13.7739 14.1074 14.1074 k = 0.3333 0.5774-0.0000 ( 2100 PWs) bands (ev): -46.0755 -46.0755 -22.7743 -22.7605 -22.1268 -22.1180 -22.1132 -22.0887 -6.8781 -6.8704 6.0075 6.0220 6.4719 6.4728 6.9580 6.9604 11.8848 11.9115 12.2509 12.2694 12.5200 12.5465 12.8775 12.8826 14.4747 14.4952 k = 0.3333 0.5774 0.0096 ( 2100 PWs) bands (ev): -46.0754 -46.0754 -22.7743 -22.7606 -22.1268 -22.1180 -22.1131 -22.0887 -6.8781 -6.8704 6.0085 6.0230 6.4712 6.4721 6.9568 6.9592 11.8821 11.9084 12.2557 12.2738 12.5210 12.5475 12.8781 12.8832 14.4739 14.4944 k = 0.3333 0.5774 0.0191 ( 2103 PWs) bands (ev): -46.0754 -46.0754 -22.7744 -22.7607 -22.1270 -22.1183 -22.1130 -22.0886 -6.8781 -6.8705 6.0115 6.0260 6.4690 6.4699 6.9534 6.9558 11.8743 11.8995 12.2697 12.2866 12.5240 12.5504 12.8799 12.8850 14.4716 14.4919 k = 0.3333 0.5774 0.0287 ( 2103 PWs) bands (ev): -46.0754 -46.0754 -22.7745 -22.7608 -22.1274 -22.1186 -22.1129 -22.0886 -6.8782 -6.8706 6.0164 6.0310 6.4654 6.4662 6.9477 6.9502 11.8624 11.8860 12.2915 12.3069 12.5290 12.5553 12.8830 12.8881 14.4677 14.4878 k = 0.3333 0.5774 0.0382 ( 2097 PWs) bands (ev): -46.0753 -46.0753 -22.7746 -22.7611 -22.1279 -22.1191 -22.1127 -22.0884 -6.8783 -6.8707 6.0233 6.0379 6.4604 6.4611 6.9398 6.9425 11.8476 11.8696 12.3196 12.3335 12.5359 12.5620 12.8873 12.8924 14.4623 14.4821 k = 0.3333 0.5774 0.0478 ( 2097 PWs) bands (ev): -46.0752 -46.0752 -22.7749 -22.7614 -22.1285 -22.1198 -22.1124 -22.0883 -6.8784 -6.8709 6.0321 6.0467 6.4541 6.4546 6.9298 6.9326 11.8308 11.8513 12.3528 12.3652 12.5448 12.5705 12.8928 12.8978 14.4554 14.4748 k = 0.3333 0.5774 0.0573 ( 2100 PWs) bands (ev): -46.0751 -46.0751 -22.7751 -22.7617 -22.1293 -22.1206 -22.1120 -22.0881 -6.8785 -6.8711 6.0429 6.0575 6.4464 6.4467 6.9176 6.9206 11.8131 11.8322 12.3901 12.4011 12.5555 12.5807 12.8995 12.9045 14.4471 14.4661 k = 0.3333 0.5774 0.0669 ( 2100 PWs) bands (ev): -46.0749 -46.0749 -22.7754 -22.7622 -22.1302 -22.1215 -22.1116 -22.0878 -6.8787 -6.8714 6.0554 6.0701 6.4374 6.4375 6.9034 6.9066 11.7950 11.8129 12.4306 12.4404 12.5679 12.5926 12.9074 12.9124 14.4376 14.4560 k = 0.3333 0.5774 0.0764 ( 2100 PWs) bands (ev): -46.0748 -46.0748 -22.7758 -22.7627 -22.1312 -22.1225 -22.1112 -22.0875 -6.8789 -6.8717 6.0699 6.0846 6.4270 6.4271 6.8874 6.8908 11.7770 11.7939 12.4739 12.4825 12.5821 12.6059 12.9164 12.9214 14.4268 14.4446 k = 0.3333 0.5774 0.0860 ( 2100 PWs) bands (ev): -46.0746 -46.0746 -22.7762 -22.7632 -22.1323 -22.1237 -22.1107 -22.0872 -6.8791 -6.8720 6.0861 6.1008 6.4153 6.4157 6.8695 6.8731 11.7595 11.7755 12.5196 12.5268 12.5981 12.6207 12.9266 12.9316 14.4149 14.4321 k = 0.3333 0.5774 0.0955 ( 2112 PWs) bands (ev): -46.0744 -46.0744 -22.7766 -22.7638 -22.1336 -22.1250 -22.1101 -22.0869 -6.8793 -6.8724 6.1039 6.1188 6.4025 6.4031 6.8499 6.8538 11.7426 11.7579 12.5674 12.5722 12.6166 12.6366 12.9378 12.9429 14.4020 14.4184 k = 0.3333 0.5774 0.1051 ( 2112 PWs) bands (ev): -46.0742 -46.0742 -22.7771 -22.7645 -22.1349 -22.1264 -22.1095 -22.0865 -6.8796 -6.8728 6.1235 6.1384 6.3885 6.3894 6.8287 6.8330 11.7266 11.7413 12.6141 12.6170 12.6416 12.6537 12.9502 12.9553 14.3883 14.4037 k = 0.3333 0.5774 0.1146 ( 2112 PWs) bands (ev): -46.0740 -46.0740 -22.7777 -22.7652 -22.1364 -22.1279 -22.1088 -22.0861 -6.8798 -6.8732 6.1447 6.1596 6.3736 6.3748 6.8061 6.8107 11.7116 11.7257 12.6428 12.6681 12.6717 12.6826 12.9636 12.9688 14.3738 14.3883 k = 0.3333 0.5774 0.1242 ( 2112 PWs) bands (ev): -46.0738 -46.0738 -22.7783 -22.7660 -22.1379 -22.1295 -22.1081 -22.0857 -6.8801 -6.8737 6.1673 6.1823 6.3577 6.3593 6.7822 6.7871 11.6975 11.7111 12.6649 12.6905 12.7207 12.7327 12.9781 12.9834 14.3587 14.3721 k = 0.3333 0.5774 0.1337 ( 2103 PWs) bands (ev): -46.0735 -46.0735 -22.7789 -22.7669 -22.1395 -22.1312 -22.1074 -22.0853 -6.8804 -6.8742 6.1914 6.2065 6.3409 6.3429 6.7570 6.7623 11.6845 11.6977 12.6861 12.7099 12.7746 12.7857 12.9936 12.9990 14.3431 14.3554 k = 0.3333 0.5774 0.1433 ( 2109 PWs) bands (ev): -46.0732 -46.0732 -22.7796 -22.7678 -22.1412 -22.1330 -22.1066 -22.0848 -6.8808 -6.8747 6.2169 6.2320 6.3234 6.3259 6.7309 6.7365 11.6726 11.6854 12.7074 12.7298 12.8294 12.8405 13.0099 13.0157 14.3272 14.3382 k = 0.3333 0.5774 0.1528 ( 2109 PWs) bands (ev): -46.0730 -46.0730 -22.7803 -22.7687 -22.1430 -22.1348 -22.1057 -22.0843 -6.8811 -6.8752 6.2436 6.2586 6.3052 6.3082 6.7038 6.7099 11.6617 11.6742 12.7288 12.7498 12.8851 12.8965 13.0272 13.0335 14.3111 14.3208 k = 0.3333 0.5774 0.1624 ( 2103 PWs) bands (ev): -46.0727 -46.0727 -22.7810 -22.7697 -22.1448 -22.1367 -22.1049 -22.0838 -6.8815 -6.8758 6.2715 6.2837 6.2865 6.2927 6.6760 6.6824 11.6518 11.6640 12.7503 12.7700 12.9412 12.9536 13.0454 13.0527 14.2950 14.3032 k = 0.3333 0.5774 0.1719 ( 2103 PWs) bands (ev): -46.0724 -46.0724 -22.7818 -22.7708 -22.1467 -22.1386 -22.1040 -22.0833 -6.8818 -6.8764 6.2672 6.2702 6.3004 6.3164 6.6475 6.6544 11.6430 11.6549 12.7717 12.7901 12.9969 13.0116 13.0643 13.0739 14.2790 14.2856 k = 0.3333 0.5774 0.1815 ( 2106 PWs) bands (ev): -46.0721 -46.0721 -22.7826 -22.7718 -22.1486 -22.1406 -22.1031 -22.0827 -6.8822 -6.8770 6.2474 6.2511 6.3303 6.3462 6.6186 6.6259 11.6351 11.6469 12.7930 12.8100 13.0495 13.0703 13.0840 13.0995 14.2633 14.2682 k = 0.3333 0.5774 0.1911 ( 2106 PWs) bands (ev): -46.0717 -46.0717 -22.7835 -22.7730 -22.1505 -22.1426 -22.1021 -22.0822 -6.8826 -6.8776 6.2274 6.2315 6.3610 6.3770 6.5893 6.5970 11.6281 11.6397 12.8139 12.8295 13.0910 13.1044 13.1295 13.1374 14.2479 14.2511 k = 0.3333 0.5774 0.2006 ( 2106 PWs) bands (ev): -46.0714 -46.0714 -22.7844 -22.7741 -22.1525 -22.1447 -22.1012 -22.0816 -6.8830 -6.8783 6.2071 6.2117 6.3925 6.4085 6.5598 6.5679 11.6221 11.6335 12.8344 12.8484 13.1196 13.1253 13.1892 13.1893 14.2330 14.2345 k = 0.3333 0.5774 0.2102 ( 2106 PWs) bands (ev): -46.0711 -46.0711 -22.7853 -22.7753 -22.1544 -22.1467 -22.1002 -22.0810 -6.8834 -6.8789 6.1867 6.1916 6.4245 6.4407 6.5302 6.5387 11.6169 11.6282 12.8542 12.8666 13.1438 13.1469 13.2463 13.2492 14.2183 14.2188 k = 0.3333 0.5774 0.2197 ( 2097 PWs) bands (ev): -46.0708 -46.0708 -22.7863 -22.7765 -22.1564 -22.1488 -22.0992 -22.0804 -6.8838 -6.8796 6.1662 6.1716 6.4568 6.4733 6.5008 6.5096 11.6125 11.6237 12.8733 12.8839 13.1670 13.1688 13.3050 13.3093 14.2029 14.2054 k = 0.3333 0.5774 0.2293 ( 2097 PWs) bands (ev): -46.0704 -46.0704 -22.7872 -22.7777 -22.1583 -22.1508 -22.0982 -22.0799 -6.8843 -6.8802 6.1457 6.1515 6.4702 6.4806 6.4910 6.5064 11.6089 11.6199 12.8915 12.9004 13.1899 13.1912 13.3643 13.3694 14.1882 14.1928 k = 0.3333 0.5774 0.2388 ( 2103 PWs) bands (ev): -46.0701 -46.0701 -22.7882 -22.7790 -22.1603 -22.1529 -22.0972 -22.0793 -6.8847 -6.8809 6.1253 6.1315 6.4416 6.4519 6.5235 6.5396 11.6059 11.6169 12.9088 12.9157 13.2129 13.2139 13.4237 13.4294 14.1744 14.1811 k = 0.3333 0.5774 0.2484 ( 2103 PWs) bands (ev): -46.0698 -46.0698 -22.7892 -22.7803 -22.1622 -22.1549 -22.0963 -22.0787 -6.8851 -6.8816 6.1051 6.1117 6.4129 6.4236 6.5566 6.5729 11.6036 11.6145 12.9249 12.9300 13.2360 13.2368 13.4829 13.4890 14.1616 14.1704 k = 0.3333 0.5774 0.2579 ( 2103 PWs) bands (ev): -46.0694 -46.0694 -22.7903 -22.7815 -22.1641 -22.1569 -22.0953 -22.0781 -6.8855 -6.8822 6.0852 6.0922 6.3847 6.3957 6.5897 6.6062 11.6019 11.6127 12.9399 12.9431 13.2591 13.2599 13.5417 13.5482 14.1498 14.1608 k = 0.3333 0.5774 0.2675 ( 2103 PWs) bands (ev): -46.0691 -46.0691 -22.7913 -22.7828 -22.1659 -22.1589 -22.0943 -22.0775 -6.8859 -6.8829 6.0656 6.0730 6.3570 6.3684 6.6227 6.6393 11.6007 11.6114 12.9537 12.9549 13.2822 13.2829 13.6000 13.6067 14.1391 14.1523 k = 0.3333 0.5774 0.2770 ( 2103 PWs) bands (ev): -46.0688 -46.0688 -22.7923 -22.7840 -22.1678 -22.1608 -22.0933 -22.0770 -6.8864 -6.8835 6.0464 6.0542 6.3299 6.3418 6.6553 6.6721 11.6000 11.6107 12.9655 12.9662 13.3052 13.3060 13.6575 13.6645 14.1295 14.1449 k = 0.3333 0.5774 0.2866 ( 2109 PWs) bands (ev): -46.0685 -46.0685 -22.7933 -22.7853 -22.1695 -22.1627 -22.0924 -22.0764 -6.8868 -6.8842 6.0277 6.0359 6.3037 6.3159 6.6875 6.7044 11.5997 11.6104 12.9748 12.9775 13.3280 13.3288 13.7141 13.7212 14.1210 14.1386 k = 0.3333 0.5774 0.2961 ( 2109 PWs) bands (ev): -46.0682 -46.0682 -22.7943 -22.7865 -22.1712 -22.1645 -22.0915 -22.0759 -6.8872 -6.8848 6.0095 6.0180 6.2783 6.2909 6.7191 6.7361 11.5998 11.6104 12.9829 12.9875 13.3505 13.3514 13.7696 13.7768 14.1137 14.1333 k = 0.3333 0.5774 0.3057 ( 2100 PWs) bands (ev): -46.0679 -46.0679 -22.7953 -22.7877 -22.1728 -22.1662 -22.0906 -22.0753 -6.8876 -6.8854 5.9920 6.0009 6.2538 6.2668 6.7499 6.7671 11.6002 11.6108 12.9899 12.9963 13.3726 13.3736 13.8237 13.8310 14.1074 14.1291 k = 0.3333 0.5774 0.3152 ( 2100 PWs) bands (ev): -46.0676 -46.0676 -22.7963 -22.7889 -22.1744 -22.1679 -22.0897 -22.0748 -6.8879 -6.8860 5.9751 5.9843 6.2303 6.2438 6.7798 6.7971 11.6009 11.6115 12.9957 13.0039 13.3943 13.3954 13.8763 13.8836 14.1023 14.1258 k = 0.3333 0.5774 0.3248 ( 2100 PWs) bands (ev): -46.0673 -46.0673 -22.7972 -22.7901 -22.1759 -22.1695 -22.0889 -22.0743 -6.8883 -6.8866 5.9590 5.9685 6.2080 6.2217 6.8088 6.8262 11.6018 11.6123 13.0004 13.0104 13.4153 13.4165 13.9273 13.9343 14.0983 14.1234 k = 0.3333 0.5774 0.3343 ( 2094 PWs) bands (ev): -46.0670 -46.0670 -22.7981 -22.7912 -22.1773 -22.1710 -22.0881 -22.0738 -6.8887 -6.8871 5.9437 5.9534 6.1867 6.2009 6.8365 6.8541 11.6029 11.6134 13.0042 13.0158 13.4357 13.4370 13.9762 13.9828 14.0954 14.1218 k = 0.3333 0.5774 0.3439 ( 2088 PWs) bands (ev): -46.0668 -46.0668 -22.7990 -22.7922 -22.1786 -22.1724 -22.0873 -22.0734 -6.8890 -6.8877 5.9292 5.9392 6.1667 6.1812 6.8630 6.8807 11.6041 11.6146 13.0071 13.0202 13.4553 13.4567 14.0231 14.0284 14.0942 14.1209 k = 0.3333 0.5774 0.3534 ( 2088 PWs) bands (ev): -46.0665 -46.0665 -22.7999 -22.7933 -22.1799 -22.1738 -22.0866 -22.0730 -6.8893 -6.8882 5.9155 5.9258 6.1480 6.1627 6.8881 6.9059 11.6054 11.6159 13.0093 13.0238 13.4739 13.4754 14.0670 14.0676 14.0983 14.1206 k = 0.3333 0.5774 0.3630 ( 2082 PWs) bands (ev): -46.0663 -46.0663 -22.8007 -22.7942 -22.1810 -22.1750 -22.0859 -22.0726 -6.8896 -6.8886 5.9029 5.9134 6.1305 6.1456 6.9117 6.9296 11.6068 11.6173 13.0108 13.0266 13.4915 13.4931 14.0821 14.1096 14.1208 14.1239 k = 0.3333 0.5774 0.3726 ( 2082 PWs) bands (ev): -46.0661 -46.0661 -22.8014 -22.7951 -22.1821 -22.1762 -22.0853 -22.0722 -6.8899 -6.8891 5.8911 5.9019 6.1144 6.1297 6.9336 6.9516 11.6081 11.6186 13.0118 13.0287 13.5080 13.5097 14.0841 14.1214 14.1488 14.1604 k = 0.3333 0.5774 0.3821 ( 2091 PWs) bands (ev): -46.0659 -46.0659 -22.8021 -22.7959 -22.1831 -22.1772 -22.0848 -22.0719 -6.8901 -6.8894 5.8804 5.8914 6.0998 6.1153 6.9538 6.9718 11.6095 11.6200 13.0123 13.0303 13.5233 13.5250 14.0847 14.1222 14.1851 14.1957 k = 0.3333 0.5774 0.3917 ( 2094 PWs) bands (ev): -46.0657 -46.0657 -22.8027 -22.7967 -22.1840 -22.1782 -22.0842 -22.0716 -6.8904 -6.8898 5.8707 5.8819 6.0865 6.1023 6.9721 6.9903 11.6108 11.6213 13.0125 13.0314 13.5372 13.5390 14.0851 14.1233 14.2181 14.2284 k = 0.3333 0.5774 0.4012 ( 2094 PWs) bands (ev): -46.0656 -46.0656 -22.8033 -22.7973 -22.1847 -22.1790 -22.0838 -22.0713 -6.8906 -6.8901 5.8621 5.8734 6.0748 6.0907 6.9885 7.0067 11.6120 11.6225 13.0124 13.0321 13.5497 13.5516 14.0855 14.1244 14.2478 14.2579 k = 0.3333 0.5774 0.4108 ( 2094 PWs) bands (ev): -46.0655 -46.0655 -22.8038 -22.7979 -22.1854 -22.1797 -22.0834 -22.0711 -6.8908 -6.8904 5.8546 5.8660 6.0645 6.0807 7.0029 7.0212 11.6131 11.6236 13.0122 13.0326 13.5608 13.5627 14.0860 14.1256 14.2740 14.2839 k = 0.3333 0.5774 0.4203 ( 2100 PWs) bands (ev): -46.0653 -46.0653 -22.8042 -22.7984 -22.1860 -22.1804 -22.0830 -22.0709 -6.8909 -6.8907 5.8482 5.8597 6.0558 6.0721 7.0152 7.0335 11.6140 11.6246 13.0118 13.0328 13.5702 13.5722 14.0866 14.1267 14.2964 14.3063 k = 0.3333 0.5774 0.4299 ( 2088 PWs) bands (ev): -46.0652 -46.0652 -22.8046 -22.7988 -22.1865 -22.1809 -22.0828 -22.0707 -6.8911 -6.8909 5.8429 5.8546 6.0487 6.0651 7.0254 7.0437 11.6149 11.6254 13.0115 13.0329 13.5781 13.5801 14.0871 14.1277 14.3150 14.3248 k = 0.3333 0.5774 0.4394 ( 2094 PWs) bands (ev): -46.0652 -46.0652 -22.8048 -22.7992 -22.1868 -22.1813 -22.0825 -22.0706 -6.8912 -6.8910 5.8388 5.8505 6.0431 6.0596 7.0333 7.0517 11.6155 11.6260 13.0111 13.0329 13.5842 13.5863 14.0875 14.1285 14.3296 14.3393 k = 0.3333 0.5774 0.4490 ( 2088 PWs) bands (ev): -46.0651 -46.0651 -22.8050 -22.7994 -22.1871 -22.1816 -22.0824 -22.0705 -6.8912 -6.8911 5.8359 5.8477 6.0391 6.0556 7.0390 7.0575 11.6160 11.6265 13.0109 13.0329 13.5886 13.5908 14.0879 14.1291 14.3401 14.3498 k = 0.3333 0.5774 0.4585 ( 2088 PWs) bands (ev): -46.0651 -46.0651 -22.8051 -22.7995 -22.1872 -22.1817 -22.0823 -22.0704 -6.8913 -6.8912 5.8341 5.8459 6.0367 6.0533 7.0425 7.0609 11.6163 11.6268 13.0107 13.0329 13.5913 13.5934 14.0881 14.1295 14.3464 14.3561 k = 0.3333 0.5774 0.4681 ( 2094 PWs) bands (ev): -46.0651 -46.0651 -22.8052 -22.7996 -22.1873 -22.1818 -22.0822 -22.0704 -6.8913 -6.8912 5.8335 5.8453 6.0359 6.0525 7.0436 7.0621 11.6164 11.6269 13.0106 13.0329 13.5922 13.5943 14.0882 14.1296 14.3485 14.3582 Writing output data file TiO.save init_run : 0.44s CPU 0.26s WALL ( 1 calls) electrons : 215.52s CPU 120.59s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.18s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 215.52s CPU 120.58s WALL ( 1 calls) v_of_rho : 0.14s CPU 0.07s WALL ( 1 calls) v_h : 0.03s CPU 0.02s WALL ( 1 calls) v_xc : 0.10s CPU 0.05s WALL ( 1 calls) newd : 0.06s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.14s CPU 0.14s WALL ( 486 calls) cegterg : 202.21s CPU 111.78s WALL ( 529 calls) Called by sum_band: Called by *egterg: h_psi : 111.22s CPU 64.53s WALL ( 9206 calls) s_psi : 1.18s CPU 0.68s WALL ( 9206 calls) g_psi : 0.23s CPU 0.12s WALL ( 8191 calls) cdiaghg : 83.27s CPU 43.42s WALL ( 8677 calls) cegterg:over : 6.53s CPU 3.54s WALL ( 8191 calls) cegterg:upda : 4.63s CPU 2.48s WALL ( 8191 calls) cegterg:last : 2.51s CPU 1.38s WALL ( 2082 calls) cdiaghg:chol : 3.65s CPU 2.06s WALL ( 8677 calls) cdiaghg:inve : 1.46s CPU 0.75s WALL ( 8677 calls) cdiaghg:para : 4.58s CPU 2.51s WALL ( 17354 calls) Called by h_psi: h_psi:vloc : 104.18s CPU 60.41s WALL ( 9206 calls) h_psi:vnl : 6.91s CPU 4.05s WALL ( 9206 calls) add_vuspsi : 4.11s CPU 2.35s WALL ( 9206 calls) General routines calbec : 2.74s CPU 1.66s WALL ( 9206 calls) fft : 0.07s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 99.92s CPU 58.02s WALL ( 702064 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.42s CPU 0.40s WALL ( 972 calls) Parallel routines fft_scatter : 47.82s CPU 27.27s WALL ( 702087 calls) PWSCF : 3m45.04s CPU 2m24.30s WALL This run was terminated on: 4:42:20 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=