Program PWSCF v.5.4.0 starts on 12Feb2017 at 4: 2:32 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: ./H2O.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 45 25 7 1801 784 123 Max 46 26 8 1804 808 132 Sum 1627 931 271 64867 28599 4543 bravais-lattice index = 14 lattice parameter (alat) = 8.5085 a.u. unit-cell volume = 658.4888 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 2 number of electrons = 32.00 number of Kohn-Sham states= 40 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.508490 celldm(2)= 1.000000 celldm(3)= 1.234870 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.500555 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.500555 0.865705 0.000000 ) a(3) = ( 0.000000 0.000000 1.234870 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.578205 -0.000000 ) b(2) = ( 0.000000 1.155128 -0.000000 ) b(3) = ( 0.000000 0.000000 0.809802 ) PseudoPot. # 1 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) H 1.00 1.00790 H( 1.00) 2 Sym. Ops. (no inversion) found ( 1 have fractional translation) 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.6174349 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 0.00 0.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 400 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0070896 0.0122886 -0.0000000), wk = 0.0025000 k( 3) = ( 0.0141791 0.0245772 -0.0000000), wk = 0.0025000 k( 4) = ( 0.0212687 0.0368658 -0.0000000), wk = 0.0025000 k( 5) = ( 0.0283583 0.0491544 -0.0000000), wk = 0.0025000 k( 6) = ( 0.0354479 0.0614430 -0.0000000), wk = 0.0025000 k( 7) = ( 0.0425374 0.0737316 -0.0000000), wk = 0.0025000 k( 8) = ( 0.0496270 0.0860202 -0.0000000), wk = 0.0025000 k( 9) = ( 0.0567166 0.0983088 -0.0000000), wk = 0.0025000 k( 10) = ( 0.0638062 0.1105974 -0.0000000), wk = 0.0025000 k( 11) = ( 0.0708958 0.1228860 -0.0000000), wk = 0.0025000 k( 12) = ( 0.0779853 0.1351746 -0.0000000), wk = 0.0025000 k( 13) = ( 0.0850749 0.1474632 -0.0000000), wk = 0.0025000 k( 14) = ( 0.0921645 0.1597518 -0.0000000), wk = 0.0025000 k( 15) = ( 0.0992541 0.1720404 -0.0000000), wk = 0.0025000 k( 16) = ( 0.1063436 0.1843290 -0.0000000), wk = 0.0025000 k( 17) = ( 0.1134332 0.1966176 -0.0000000), wk = 0.0025000 k( 18) = ( 0.1205228 0.2089062 -0.0000000), wk = 0.0025000 k( 19) = ( 0.1276124 0.2211948 -0.0000000), wk = 0.0025000 k( 20) = ( 0.1347019 0.2334834 -0.0000000), wk = 0.0025000 k( 21) = ( 0.1417915 0.2457720 -0.0000000), wk = 0.0025000 k( 22) = ( 0.1488811 0.2580606 -0.0000000), wk = 0.0025000 k( 23) = ( 0.1559707 0.2703492 -0.0000000), wk = 0.0025000 k( 24) = ( 0.1630602 0.2826377 -0.0000000), wk = 0.0025000 k( 25) = ( 0.1701498 0.2949264 -0.0000000), wk = 0.0025000 k( 26) = ( 0.1772394 0.3072149 -0.0000000), wk = 0.0025000 k( 27) = ( 0.1843290 0.3195035 -0.0000000), wk = 0.0025000 k( 28) = ( 0.1914185 0.3317921 -0.0000000), wk = 0.0025000 k( 29) = ( 0.1985081 0.3440807 -0.0000000), wk = 0.0025000 k( 30) = ( 0.2055977 0.3563693 -0.0000000), wk = 0.0025000 k( 31) = ( 0.2126873 0.3686579 -0.0000000), wk = 0.0025000 k( 32) = ( 0.2197768 0.3809465 -0.0000000), wk = 0.0025000 k( 33) = ( 0.2268664 0.3932351 -0.0000000), wk = 0.0025000 k( 34) = ( 0.2339560 0.4055237 -0.0000000), wk = 0.0025000 k( 35) = ( 0.2410456 0.4178123 -0.0000000), wk = 0.0025000 k( 36) = ( 0.2481351 0.4301009 -0.0000000), wk = 0.0025000 k( 37) = ( 0.2552247 0.4423895 -0.0000000), wk = 0.0025000 k( 38) = ( 0.2623143 0.4546781 -0.0000000), wk = 0.0025000 k( 39) = ( 0.2694039 0.4669667 -0.0000000), wk = 0.0025000 k( 40) = ( 0.2764934 0.4792553 -0.0000000), wk = 0.0025000 k( 41) = ( 0.2835830 0.4915439 -0.0000000), wk = 0.0025000 k( 42) = ( 0.2906726 0.5038325 -0.0000000), wk = 0.0025000 k( 43) = ( 0.2977622 0.5161211 -0.0000000), wk = 0.0025000 k( 44) = ( 0.3048518 0.5284097 -0.0000000), wk = 0.0025000 k( 45) = ( 0.3119413 0.5406983 -0.0000000), wk = 0.0025000 k( 46) = ( 0.3190309 0.5529869 -0.0000000), wk = 0.0025000 k( 47) = ( 0.3261205 0.5652755 -0.0000000), wk = 0.0025000 k( 48) = ( 0.3332101 0.5775641 -0.0000000), wk = 0.0025000 k( 49) = ( 0.3332101 0.5775641 -0.0000000), wk = 0.0025000 k( 50) = ( 0.3193263 0.5775641 -0.0000000), wk = 0.0025000 k( 51) = ( 0.3054425 0.5775641 -0.0000000), wk = 0.0025000 k( 52) = ( 0.2915588 0.5775641 -0.0000000), wk = 0.0025000 k( 53) = ( 0.2776750 0.5775641 -0.0000000), wk = 0.0025000 k( 54) = ( 0.2637913 0.5775641 -0.0000000), wk = 0.0025000 k( 55) = ( 0.2499075 0.5775641 -0.0000000), wk = 0.0025000 k( 56) = ( 0.2360238 0.5775641 -0.0000000), wk = 0.0025000 k( 57) = ( 0.2221400 0.5775641 -0.0000000), wk = 0.0025000 k( 58) = ( 0.2082563 0.5775641 -0.0000000), wk = 0.0025000 k( 59) = ( 0.1943725 0.5775641 -0.0000000), wk = 0.0025000 k( 60) = ( 0.1804888 0.5775641 -0.0000000), wk = 0.0025000 k( 61) = ( 0.1666050 0.5775641 -0.0000000), wk = 0.0025000 k( 62) = ( 0.1527213 0.5775641 -0.0000000), wk = 0.0025000 k( 63) = ( 0.1388375 0.5775641 -0.0000000), wk = 0.0025000 k( 64) = ( 0.1249538 0.5775641 -0.0000000), wk = 0.0025000 k( 65) = ( 0.1110700 0.5775641 -0.0000000), wk = 0.0025000 k( 66) = ( 0.0971863 0.5775641 -0.0000000), wk = 0.0025000 k( 67) = ( 0.0833025 0.5775641 -0.0000000), wk = 0.0025000 k( 68) = ( 0.0694188 0.5775641 -0.0000000), wk = 0.0025000 k( 69) = ( 0.0555350 0.5775641 -0.0000000), wk = 0.0025000 k( 70) = ( 0.0416513 0.5775641 -0.0000000), wk = 0.0025000 k( 71) = ( 0.0277675 0.5775641 -0.0000000), wk = 0.0025000 k( 72) = ( 0.0138838 0.5775641 -0.0000000), wk = 0.0025000 k( 73) = ( 0.0000000 0.5775641 -0.0000000), wk = 0.0025000 k( 74) = ( 0.0000000 0.5775641 -0.0000000), wk = 0.0025000 k( 75) = ( 0.0000000 0.5775641 0.0139621), wk = 0.0025000 k( 76) = ( 0.0000000 0.5775641 0.0279242), wk = 0.0025000 k( 77) = ( 0.0000000 0.5775641 0.0418863), wk = 0.0025000 k( 78) = ( 0.0000000 0.5775641 0.0558484), wk = 0.0025000 k( 79) = ( 0.0000000 0.5775641 0.0698105), wk = 0.0025000 k( 80) = ( 0.0000000 0.5775641 0.0837726), wk = 0.0025000 k( 81) = ( 0.0000000 0.5775641 0.0977347), wk = 0.0025000 k( 82) = ( 0.0000000 0.5775641 0.1116968), wk = 0.0025000 k( 83) = ( 0.0000000 0.5775641 0.1256589), wk = 0.0025000 k( 84) = ( 0.0000000 0.5775641 0.1396210), wk = 0.0025000 k( 85) = ( 0.0000000 0.5775641 0.1535831), wk = 0.0025000 k( 86) = ( 0.0000000 0.5775641 0.1675452), wk = 0.0025000 k( 87) = ( 0.0000000 0.5775641 0.1815074), wk = 0.0025000 k( 88) = ( 0.0000000 0.5775641 0.1954695), wk = 0.0025000 k( 89) = ( 0.0000000 0.5775641 0.2094316), wk = 0.0025000 k( 90) = ( 0.0000000 0.5775641 0.2233937), wk = 0.0025000 k( 91) = ( 0.0000000 0.5775641 0.2373558), wk = 0.0025000 k( 92) = ( 0.0000000 0.5775641 0.2513179), wk = 0.0025000 k( 93) = ( 0.0000000 0.5775641 0.2652800), wk = 0.0025000 k( 94) = ( 0.0000000 0.5775641 0.2792421), wk = 0.0025000 k( 95) = ( 0.0000000 0.5775641 0.2932042), wk = 0.0025000 k( 96) = ( 0.0000000 0.5775641 0.3071663), wk = 0.0025000 k( 97) = ( 0.0000000 0.5775641 0.3211284), wk = 0.0025000 k( 98) = ( 0.0000000 0.5775641 0.3350905), wk = 0.0025000 k( 99) = ( 0.0000000 0.5775641 0.3490526), wk = 0.0025000 k( 100) = ( 0.0000000 0.5775641 0.3630147), wk = 0.0025000 k( 101) = ( 0.0000000 0.5775641 0.3769768), wk = 0.0025000 k( 102) = ( 0.0000000 0.5775641 0.3909389), wk = 0.0025000 k( 103) = ( 0.0000000 0.5775641 0.4049010), wk = 0.0025000 k( 104) = ( 0.0000000 0.5775641 0.4049010), wk = 0.0025000 k( 105) = ( 0.0138838 0.5775641 0.4049010), wk = 0.0025000 k( 106) = ( 0.0277675 0.5775641 0.4049010), wk = 0.0025000 k( 107) = ( 0.0416513 0.5775641 0.4049010), wk = 0.0025000 k( 108) = ( 0.0555350 0.5775641 0.4049010), wk = 0.0025000 k( 109) = ( 0.0694188 0.5775641 0.4049010), wk = 0.0025000 k( 110) = ( 0.0833025 0.5775641 0.4049010), wk = 0.0025000 k( 111) = ( 0.0971863 0.5775641 0.4049010), wk = 0.0025000 k( 112) = ( 0.1110700 0.5775641 0.4049010), wk = 0.0025000 k( 113) = ( 0.1249538 0.5775641 0.4049010), wk = 0.0025000 k( 114) = ( 0.1388375 0.5775641 0.4049010), wk = 0.0025000 k( 115) = ( 0.1527213 0.5775641 0.4049010), wk = 0.0025000 k( 116) = ( 0.1666050 0.5775641 0.4049010), wk = 0.0025000 k( 117) = ( 0.1804888 0.5775641 0.4049010), wk = 0.0025000 k( 118) = ( 0.1943725 0.5775641 0.4049010), wk = 0.0025000 k( 119) = ( 0.2082563 0.5775641 0.4049010), wk = 0.0025000 k( 120) = ( 0.2221400 0.5775641 0.4049010), wk = 0.0025000 k( 121) = ( 0.2360238 0.5775641 0.4049010), wk = 0.0025000 k( 122) = ( 0.2499075 0.5775641 0.4049010), wk = 0.0025000 k( 123) = ( 0.2637913 0.5775641 0.4049010), wk = 0.0025000 k( 124) = ( 0.2776750 0.5775641 0.4049010), wk = 0.0025000 k( 125) = ( 0.2915588 0.5775641 0.4049010), wk = 0.0025000 k( 126) = ( 0.3054425 0.5775641 0.4049010), wk = 0.0025000 k( 127) = ( 0.3193263 0.5775641 0.4049010), wk = 0.0025000 k( 128) = ( 0.3332101 0.5775641 0.4049010), wk = 0.0025000 k( 129) = ( 0.3332101 0.5775641 0.4049010), wk = 0.0025000 k( 130) = ( 0.3261205 0.5652755 0.4049010), wk = 0.0025000 k( 131) = ( 0.3190309 0.5529869 0.4049010), wk = 0.0025000 k( 132) = ( 0.3119413 0.5406983 0.4049010), wk = 0.0025000 k( 133) = ( 0.3048518 0.5284097 0.4049010), wk = 0.0025000 k( 134) = ( 0.2977622 0.5161211 0.4049010), wk = 0.0025000 k( 135) = ( 0.2906726 0.5038325 0.4049010), wk = 0.0025000 k( 136) = ( 0.2835830 0.4915439 0.4049010), wk = 0.0025000 k( 137) = ( 0.2764934 0.4792553 0.4049010), wk = 0.0025000 k( 138) = ( 0.2694039 0.4669667 0.4049010), wk = 0.0025000 k( 139) = ( 0.2623143 0.4546781 0.4049010), wk = 0.0025000 k( 140) = ( 0.2552247 0.4423895 0.4049010), wk = 0.0025000 k( 141) = ( 0.2481351 0.4301009 0.4049010), wk = 0.0025000 k( 142) = ( 0.2410456 0.4178123 0.4049010), wk = 0.0025000 k( 143) = ( 0.2339560 0.4055237 0.4049010), wk = 0.0025000 k( 144) = ( 0.2268664 0.3932351 0.4049010), wk = 0.0025000 k( 145) = ( 0.2197768 0.3809465 0.4049010), wk = 0.0025000 k( 146) = ( 0.2126873 0.3686579 0.4049010), wk = 0.0025000 k( 147) = ( 0.2055977 0.3563693 0.4049010), wk = 0.0025000 k( 148) = ( 0.1985081 0.3440807 0.4049010), wk = 0.0025000 k( 149) = ( 0.1914185 0.3317921 0.4049010), wk = 0.0025000 k( 150) = ( 0.1843290 0.3195035 0.4049010), wk = 0.0025000 k( 151) = ( 0.1772394 0.3072149 0.4049010), wk = 0.0025000 k( 152) = ( 0.1701498 0.2949264 0.4049010), wk = 0.0025000 k( 153) = ( 0.1630602 0.2826377 0.4049010), wk = 0.0025000 k( 154) = ( 0.1559707 0.2703492 0.4049010), wk = 0.0025000 k( 155) = ( 0.1488811 0.2580606 0.4049010), wk = 0.0025000 k( 156) = ( 0.1417915 0.2457720 0.4049010), wk = 0.0025000 k( 157) = ( 0.1347019 0.2334834 0.4049010), wk = 0.0025000 k( 158) = ( 0.1276124 0.2211948 0.4049010), wk = 0.0025000 k( 159) = ( 0.1205228 0.2089062 0.4049010), wk = 0.0025000 k( 160) = ( 0.1134332 0.1966176 0.4049010), wk = 0.0025000 k( 161) = ( 0.1063436 0.1843290 0.4049010), wk = 0.0025000 k( 162) = ( 0.0992541 0.1720404 0.4049010), wk = 0.0025000 k( 163) = ( 0.0921645 0.1597518 0.4049010), wk = 0.0025000 k( 164) = ( 0.0850749 0.1474632 0.4049010), wk = 0.0025000 k( 165) = ( 0.0779853 0.1351746 0.4049010), wk = 0.0025000 k( 166) = ( 0.0708958 0.1228860 0.4049010), wk = 0.0025000 k( 167) = ( 0.0638062 0.1105974 0.4049010), wk = 0.0025000 k( 168) = ( 0.0567166 0.0983088 0.4049010), wk = 0.0025000 k( 169) = ( 0.0496270 0.0860202 0.4049010), wk = 0.0025000 k( 170) = ( 0.0425374 0.0737316 0.4049010), wk = 0.0025000 k( 171) = ( 0.0354479 0.0614430 0.4049010), wk = 0.0025000 k( 172) = ( 0.0283583 0.0491544 0.4049010), wk = 0.0025000 k( 173) = ( 0.0212687 0.0368658 0.4049010), wk = 0.0025000 k( 174) = ( 0.0141791 0.0245772 0.4049010), wk = 0.0025000 k( 175) = ( 0.0070896 0.0122886 0.4049010), wk = 0.0025000 k( 176) = ( 0.0000000 0.0000000 0.4049010), wk = 0.0025000 k( 177) = ( 0.0000000 0.0000000 0.4049010), wk = 0.0025000 k( 178) = ( 0.0000000 0.0000000 0.3909389), wk = 0.0025000 k( 179) = ( 0.0000000 0.0000000 0.3769768), wk = 0.0025000 k( 180) = ( 0.0000000 0.0000000 0.3630147), wk = 0.0025000 k( 181) = ( 0.0000000 0.0000000 0.3490526), wk = 0.0025000 k( 182) = ( 0.0000000 0.0000000 0.3350905), wk = 0.0025000 k( 183) = ( 0.0000000 0.0000000 0.3211284), wk = 0.0025000 k( 184) = ( 0.0000000 0.0000000 0.3071663), wk = 0.0025000 k( 185) = ( 0.0000000 0.0000000 0.2932042), wk = 0.0025000 k( 186) = ( 0.0000000 0.0000000 0.2792421), wk = 0.0025000 k( 187) = ( 0.0000000 0.0000000 0.2652800), wk = 0.0025000 k( 188) = ( 0.0000000 0.0000000 0.2513179), wk = 0.0025000 k( 189) = ( 0.0000000 0.0000000 0.2373558), wk = 0.0025000 k( 190) = ( 0.0000000 0.0000000 0.2233937), wk = 0.0025000 k( 191) = ( 0.0000000 0.0000000 0.2094316), wk = 0.0025000 k( 192) = ( 0.0000000 0.0000000 0.1954695), wk = 0.0025000 k( 193) = ( 0.0000000 0.0000000 0.1815074), wk = 0.0025000 k( 194) = ( 0.0000000 0.0000000 0.1675452), wk = 0.0025000 k( 195) = ( 0.0000000 0.0000000 0.1535831), wk = 0.0025000 k( 196) = ( 0.0000000 0.0000000 0.1396210), wk = 0.0025000 k( 197) = ( 0.0000000 0.0000000 0.1256589), wk = 0.0025000 k( 198) = ( 0.0000000 0.0000000 0.1116968), wk = 0.0025000 k( 199) = ( 0.0000000 0.0000000 0.0977347), wk = 0.0025000 k( 200) = ( 0.0000000 0.0000000 0.0837726), wk = 0.0025000 k( 201) = ( 0.0000000 0.0000000 0.0698105), wk = 0.0025000 k( 202) = ( 0.0000000 0.0000000 0.0558484), wk = 0.0025000 k( 203) = ( 0.0000000 0.0000000 0.0418863), wk = 0.0025000 k( 204) = ( 0.0000000 0.0000000 0.0279242), wk = 0.0025000 k( 205) = ( 0.0000000 0.0000000 0.0139621), wk = 0.0025000 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 208) = ( -0.0121951 0.0070356 0.0000000), wk = 0.0025000 k( 209) = ( -0.0243902 0.0140713 0.0000000), wk = 0.0025000 k( 210) = ( -0.0365854 0.0211069 0.0000000), wk = 0.0025000 k( 211) = ( -0.0487805 0.0281426 0.0000000), wk = 0.0025000 k( 212) = ( -0.0609756 0.0351782 0.0000000), wk = 0.0025000 k( 213) = ( -0.0731707 0.0422139 0.0000000), wk = 0.0025000 k( 214) = ( -0.0853658 0.0492495 0.0000000), wk = 0.0025000 k( 215) = ( -0.0975610 0.0562852 0.0000000), wk = 0.0025000 k( 216) = ( -0.1097561 0.0633208 0.0000000), wk = 0.0025000 k( 217) = ( -0.1219512 0.0703565 0.0000000), wk = 0.0025000 k( 218) = ( -0.1341463 0.0773921 0.0000000), wk = 0.0025000 k( 219) = ( -0.1463415 0.0844278 0.0000000), wk = 0.0025000 k( 220) = ( -0.1585366 0.0914634 0.0000000), wk = 0.0025000 k( 221) = ( -0.1707317 0.0984991 0.0000000), wk = 0.0025000 k( 222) = ( -0.1829268 0.1055347 0.0000000), wk = 0.0025000 k( 223) = ( -0.1951219 0.1125704 0.0000000), wk = 0.0025000 k( 224) = ( -0.2073171 0.1196060 0.0000000), wk = 0.0025000 k( 225) = ( -0.2195122 0.1266417 0.0000000), wk = 0.0025000 k( 226) = ( -0.2317073 0.1336773 0.0000000), wk = 0.0025000 k( 227) = ( -0.2439024 0.1407129 0.0000000), wk = 0.0025000 k( 228) = ( -0.2560976 0.1477486 0.0000000), wk = 0.0025000 k( 229) = ( -0.2682927 0.1547842 0.0000000), wk = 0.0025000 k( 230) = ( -0.2804878 0.1618199 0.0000000), wk = 0.0025000 k( 231) = ( -0.2926829 0.1688555 0.0000000), wk = 0.0025000 k( 232) = ( -0.3048781 0.1758912 0.0000000), wk = 0.0025000 k( 233) = ( -0.3170732 0.1829268 0.0000000), wk = 0.0025000 k( 234) = ( -0.3292683 0.1899625 0.0000000), wk = 0.0025000 k( 235) = ( -0.3414634 0.1969981 0.0000000), wk = 0.0025000 k( 236) = ( -0.3536585 0.2040338 0.0000000), wk = 0.0025000 k( 237) = ( -0.3658537 0.2110694 0.0000000), wk = 0.0025000 k( 238) = ( -0.3780488 0.2181051 0.0000000), wk = 0.0025000 k( 239) = ( -0.3902439 0.2251407 0.0000000), wk = 0.0025000 k( 240) = ( -0.4024390 0.2321764 0.0000000), wk = 0.0025000 k( 241) = ( -0.4146341 0.2392120 0.0000000), wk = 0.0025000 k( 242) = ( -0.4268293 0.2462477 0.0000000), wk = 0.0025000 k( 243) = ( -0.4390244 0.2532833 0.0000000), wk = 0.0025000 k( 244) = ( -0.4512195 0.2603189 0.0000000), wk = 0.0025000 k( 245) = ( -0.4634146 0.2673546 0.0000000), wk = 0.0025000 k( 246) = ( -0.4756098 0.2743902 0.0000000), wk = 0.0025000 k( 247) = ( -0.4878049 0.2814259 0.0000000), wk = 0.0025000 k( 248) = ( -0.5000000 0.2884615 0.0000000), wk = 0.0025000 k( 249) = ( -0.5000000 0.2884615 0.0000000), wk = 0.0025000 k( 250) = ( -0.4930504 0.3005075 -0.0000000), wk = 0.0025000 k( 251) = ( -0.4861008 0.3125534 -0.0000000), wk = 0.0025000 k( 252) = ( -0.4791513 0.3245994 -0.0000000), wk = 0.0025000 k( 253) = ( -0.4722017 0.3366453 -0.0000000), wk = 0.0025000 k( 254) = ( -0.4652521 0.3486912 -0.0000000), wk = 0.0025000 k( 255) = ( -0.4583025 0.3607372 -0.0000000), wk = 0.0025000 k( 256) = ( -0.4513529 0.3727831 -0.0000000), wk = 0.0025000 k( 257) = ( -0.4444033 0.3848291 -0.0000000), wk = 0.0025000 k( 258) = ( -0.4374538 0.3968750 -0.0000000), wk = 0.0025000 k( 259) = ( -0.4305042 0.4089209 -0.0000000), wk = 0.0025000 k( 260) = ( -0.4235546 0.4209669 -0.0000000), wk = 0.0025000 k( 261) = ( -0.4166050 0.4330128 -0.0000000), wk = 0.0025000 k( 262) = ( -0.4096554 0.4450588 -0.0000000), wk = 0.0025000 k( 263) = ( -0.4027059 0.4571047 -0.0000000), wk = 0.0025000 k( 264) = ( -0.3957563 0.4691506 -0.0000000), wk = 0.0025000 k( 265) = ( -0.3888067 0.4811966 -0.0000000), wk = 0.0025000 k( 266) = ( -0.3818571 0.4932425 -0.0000000), wk = 0.0025000 k( 267) = ( -0.3749075 0.5052885 -0.0000000), wk = 0.0025000 k( 268) = ( -0.3679580 0.5173344 -0.0000000), wk = 0.0025000 k( 269) = ( -0.3610084 0.5293803 -0.0000000), wk = 0.0025000 k( 270) = ( -0.3540588 0.5414263 -0.0000000), wk = 0.0025000 k( 271) = ( -0.3471092 0.5534722 -0.0000000), wk = 0.0025000 k( 272) = ( -0.3401596 0.5655182 -0.0000000), wk = 0.0025000 k( 273) = ( -0.3332101 0.5775641 -0.0000000), wk = 0.0025000 k( 274) = ( -0.3332101 0.5775641 -0.0000000), wk = 0.0025000 k( 275) = ( -0.3332101 0.5775641 0.0139621), wk = 0.0025000 k( 276) = ( -0.3332101 0.5775641 0.0279242), wk = 0.0025000 k( 277) = ( -0.3332101 0.5775641 0.0418863), wk = 0.0025000 k( 278) = ( -0.3332101 0.5775641 0.0558484), wk = 0.0025000 k( 279) = ( -0.3332101 0.5775641 0.0698105), wk = 0.0025000 k( 280) = ( -0.3332101 0.5775641 0.0837726), wk = 0.0025000 k( 281) = ( -0.3332101 0.5775641 0.0977347), wk = 0.0025000 k( 282) = ( -0.3332101 0.5775641 0.1116968), wk = 0.0025000 k( 283) = ( -0.3332101 0.5775641 0.1256589), wk = 0.0025000 k( 284) = ( -0.3332101 0.5775641 0.1396210), wk = 0.0025000 k( 285) = ( -0.3332101 0.5775641 0.1535831), wk = 0.0025000 k( 286) = ( -0.3332101 0.5775641 0.1675452), wk = 0.0025000 k( 287) = ( -0.3332101 0.5775641 0.1815074), wk = 0.0025000 k( 288) = ( -0.3332101 0.5775641 0.1954695), wk = 0.0025000 k( 289) = ( -0.3332101 0.5775641 0.2094316), wk = 0.0025000 k( 290) = ( -0.3332101 0.5775641 0.2233937), wk = 0.0025000 k( 291) = ( -0.3332101 0.5775641 0.2373558), wk = 0.0025000 k( 292) = ( -0.3332101 0.5775641 0.2513179), wk = 0.0025000 k( 293) = ( -0.3332101 0.5775641 0.2652800), wk = 0.0025000 k( 294) = ( -0.3332101 0.5775641 0.2792421), wk = 0.0025000 k( 295) = ( -0.3332101 0.5775641 0.2932042), wk = 0.0025000 k( 296) = ( -0.3332101 0.5775641 0.3071663), wk = 0.0025000 k( 297) = ( -0.3332101 0.5775641 0.3211284), wk = 0.0025000 k( 298) = ( -0.3332101 0.5775641 0.3350905), wk = 0.0025000 k( 299) = ( -0.3332101 0.5775641 0.3490526), wk = 0.0025000 k( 300) = ( -0.3332101 0.5775641 0.3630147), wk = 0.0025000 k( 301) = ( -0.3332101 0.5775641 0.3769768), wk = 0.0025000 k( 302) = ( -0.3332101 0.5775641 0.3909389), wk = 0.0025000 k( 303) = ( -0.3332101 0.5775641 0.4049010), wk = 0.0025000 k( 304) = ( -0.3332101 0.5775641 0.4049010), wk = 0.0025000 k( 305) = ( -0.3401596 0.5655182 0.4049010), wk = 0.0025000 k( 306) = ( -0.3471092 0.5534722 0.4049010), wk = 0.0025000 k( 307) = ( -0.3540588 0.5414263 0.4049010), wk = 0.0025000 k( 308) = ( -0.3610084 0.5293803 0.4049010), wk = 0.0025000 k( 309) = ( -0.3679580 0.5173344 0.4049010), wk = 0.0025000 k( 310) = ( -0.3749075 0.5052885 0.4049010), wk = 0.0025000 k( 311) = ( -0.3818571 0.4932425 0.4049010), wk = 0.0025000 k( 312) = ( -0.3888067 0.4811966 0.4049010), wk = 0.0025000 k( 313) = ( -0.3957563 0.4691506 0.4049010), wk = 0.0025000 k( 314) = ( -0.4027059 0.4571047 0.4049010), wk = 0.0025000 k( 315) = ( -0.4096554 0.4450588 0.4049010), wk = 0.0025000 k( 316) = ( -0.4166050 0.4330128 0.4049010), wk = 0.0025000 k( 317) = ( -0.4235546 0.4209669 0.4049010), wk = 0.0025000 k( 318) = ( -0.4305042 0.4089209 0.4049010), wk = 0.0025000 k( 319) = ( -0.4374538 0.3968750 0.4049010), wk = 0.0025000 k( 320) = ( -0.4444033 0.3848291 0.4049010), wk = 0.0025000 k( 321) = ( -0.4513529 0.3727831 0.4049010), wk = 0.0025000 k( 322) = ( -0.4583025 0.3607372 0.4049010), wk = 0.0025000 k( 323) = ( -0.4652521 0.3486912 0.4049010), wk = 0.0025000 k( 324) = ( -0.4722017 0.3366453 0.4049010), wk = 0.0025000 k( 325) = ( -0.4791513 0.3245994 0.4049010), wk = 0.0025000 k( 326) = ( -0.4861008 0.3125534 0.4049010), wk = 0.0025000 k( 327) = ( -0.4930504 0.3005075 0.4049010), wk = 0.0025000 k( 328) = ( -0.5000000 0.2884615 0.4049010), wk = 0.0025000 k( 329) = ( -0.5000000 0.2884615 0.4049010), wk = 0.0025000 k( 330) = ( -0.5000000 0.2884615 0.3909389), wk = 0.0025000 k( 331) = ( -0.5000000 0.2884615 0.3769768), wk = 0.0025000 k( 332) = ( -0.5000000 0.2884615 0.3630147), wk = 0.0025000 k( 333) = ( -0.5000000 0.2884615 0.3490526), wk = 0.0025000 k( 334) = ( -0.5000000 0.2884615 0.3350905), wk = 0.0025000 k( 335) = ( -0.5000000 0.2884615 0.3211284), wk = 0.0025000 k( 336) = ( -0.5000000 0.2884615 0.3071663), wk = 0.0025000 k( 337) = ( -0.5000000 0.2884615 0.2932042), wk = 0.0025000 k( 338) = ( -0.5000000 0.2884615 0.2792421), wk = 0.0025000 k( 339) = ( -0.5000000 0.2884615 0.2652800), wk = 0.0025000 k( 340) = ( -0.5000000 0.2884615 0.2513179), wk = 0.0025000 k( 341) = ( -0.5000000 0.2884615 0.2373558), wk = 0.0025000 k( 342) = ( -0.5000000 0.2884615 0.2233937), wk = 0.0025000 k( 343) = ( -0.5000000 0.2884615 0.2094316), wk = 0.0025000 k( 344) = ( -0.5000000 0.2884615 0.1954695), wk = 0.0025000 k( 345) = ( -0.5000000 0.2884615 0.1815074), wk = 0.0025000 k( 346) = ( -0.5000000 0.2884615 0.1675452), wk = 0.0025000 k( 347) = ( -0.5000000 0.2884615 0.1535831), wk = 0.0025000 k( 348) = ( -0.5000000 0.2884615 0.1396210), wk = 0.0025000 k( 349) = ( -0.5000000 0.2884615 0.1256589), wk = 0.0025000 k( 350) = ( -0.5000000 0.2884615 0.1116968), wk = 0.0025000 k( 351) = ( -0.5000000 0.2884615 0.0977347), wk = 0.0025000 k( 352) = ( -0.5000000 0.2884615 0.0837726), wk = 0.0025000 k( 353) = ( -0.5000000 0.2884615 0.0698105), wk = 0.0025000 k( 354) = ( -0.5000000 0.2884615 0.0558484), wk = 0.0025000 k( 355) = ( -0.5000000 0.2884615 0.0418863), wk = 0.0025000 k( 356) = ( -0.5000000 0.2884615 0.0279242), wk = 0.0025000 k( 357) = ( -0.5000000 0.2884615 0.0139621), wk = 0.0025000 k( 358) = ( -0.5000000 0.2884615 0.0000000), wk = 0.0025000 k( 359) = ( 0.0000000 0.0000000 0.4049010), wk = 0.0025000 k( 360) = ( -0.0121951 0.0070356 0.4049010), wk = 0.0025000 k( 361) = ( -0.0243902 0.0140713 0.4049010), wk = 0.0025000 k( 362) = ( -0.0365854 0.0211069 0.4049010), wk = 0.0025000 k( 363) = ( -0.0487805 0.0281426 0.4049010), wk = 0.0025000 k( 364) = ( -0.0609756 0.0351782 0.4049010), wk = 0.0025000 k( 365) = ( -0.0731707 0.0422139 0.4049010), wk = 0.0025000 k( 366) = ( -0.0853658 0.0492495 0.4049010), wk = 0.0025000 k( 367) = ( -0.0975610 0.0562852 0.4049010), wk = 0.0025000 k( 368) = ( -0.1097561 0.0633208 0.4049010), wk = 0.0025000 k( 369) = ( -0.1219512 0.0703565 0.4049010), wk = 0.0025000 k( 370) = ( -0.1341463 0.0773921 0.4049010), wk = 0.0025000 k( 371) = ( -0.1463415 0.0844278 0.4049010), wk = 0.0025000 k( 372) = ( -0.1585366 0.0914634 0.4049010), wk = 0.0025000 k( 373) = ( -0.1707317 0.0984991 0.4049010), wk = 0.0025000 k( 374) = ( -0.1829268 0.1055347 0.4049010), wk = 0.0025000 k( 375) = ( -0.1951219 0.1125704 0.4049010), wk = 0.0025000 k( 376) = ( -0.2073171 0.1196060 0.4049010), wk = 0.0025000 k( 377) = ( -0.2195122 0.1266417 0.4049010), wk = 0.0025000 k( 378) = ( -0.2317073 0.1336773 0.4049010), wk = 0.0025000 k( 379) = ( -0.2439024 0.1407129 0.4049010), wk = 0.0025000 k( 380) = ( -0.2560976 0.1477486 0.4049010), wk = 0.0025000 k( 381) = ( -0.2682927 0.1547842 0.4049010), wk = 0.0025000 k( 382) = ( -0.2804878 0.1618199 0.4049010), wk = 0.0025000 k( 383) = ( -0.2926829 0.1688555 0.4049010), wk = 0.0025000 k( 384) = ( -0.3048781 0.1758912 0.4049010), wk = 0.0025000 k( 385) = ( -0.3170732 0.1829268 0.4049010), wk = 0.0025000 k( 386) = ( -0.3292683 0.1899625 0.4049010), wk = 0.0025000 k( 387) = ( -0.3414634 0.1969981 0.4049010), wk = 0.0025000 k( 388) = ( -0.3536585 0.2040338 0.4049010), wk = 0.0025000 k( 389) = ( -0.3658537 0.2110694 0.4049010), wk = 0.0025000 k( 390) = ( -0.3780488 0.2181051 0.4049010), wk = 0.0025000 k( 391) = ( -0.3902439 0.2251407 0.4049010), wk = 0.0025000 k( 392) = ( -0.4024390 0.2321764 0.4049010), wk = 0.0025000 k( 393) = ( -0.4146341 0.2392120 0.4049010), wk = 0.0025000 k( 394) = ( -0.4268293 0.2462477 0.4049010), wk = 0.0025000 k( 395) = ( -0.4390244 0.2532833 0.4049010), wk = 0.0025000 k( 396) = ( -0.4512195 0.2603189 0.4049010), wk = 0.0025000 k( 397) = ( -0.4634146 0.2673546 0.4049010), wk = 0.0025000 k( 398) = ( -0.4756098 0.2743902 0.4049010), wk = 0.0025000 k( 399) = ( -0.4878049 0.2814259 0.4049010), wk = 0.0025000 k( 400) = ( -0.5000000 0.2884615 0.4049010), wk = 0.0025000 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 2) = ( 0.0070896 0.0070896 0.0000000), wk = 0.0025000 k( 3) = ( 0.0141791 0.0141792 -0.0000000), wk = 0.0025000 k( 4) = ( 0.0212687 0.0212687 -0.0000000), wk = 0.0025000 k( 5) = ( 0.0283583 0.0283583 -0.0000000), wk = 0.0025000 k( 6) = ( 0.0354479 0.0354479 -0.0000000), wk = 0.0025000 k( 7) = ( 0.0425374 0.0425374 0.0000000), wk = 0.0025000 k( 8) = ( 0.0496270 0.0496270 -0.0000000), wk = 0.0025000 k( 9) = ( 0.0567166 0.0567166 0.0000000), wk = 0.0025000 k( 10) = ( 0.0638062 0.0638062 0.0000000), wk = 0.0025000 k( 11) = ( 0.0708958 0.0708958 -0.0000000), wk = 0.0025000 k( 12) = ( 0.0779853 0.0779853 0.0000000), wk = 0.0025000 k( 13) = ( 0.0850749 0.0850749 -0.0000000), wk = 0.0025000 k( 14) = ( 0.0921645 0.0921645 0.0000000), wk = 0.0025000 k( 15) = ( 0.0992541 0.0992541 -0.0000000), wk = 0.0025000 k( 16) = ( 0.1063436 0.1063436 -0.0000000), wk = 0.0025000 k( 17) = ( 0.1134332 0.1134332 -0.0000000), wk = 0.0025000 k( 18) = ( 0.1205228 0.1205228 0.0000000), wk = 0.0025000 k( 19) = ( 0.1276124 0.1276124 0.0000000), wk = 0.0025000 k( 20) = ( 0.1347019 0.1347019 0.0000000), wk = 0.0025000 k( 21) = ( 0.1417915 0.1417915 0.0000000), wk = 0.0025000 k( 22) = ( 0.1488811 0.1488811 0.0000000), wk = 0.0025000 k( 23) = ( 0.1559707 0.1559707 0.0000000), wk = 0.0025000 k( 24) = ( 0.1630602 0.1630602 -0.0000000), wk = 0.0025000 k( 25) = ( 0.1701498 0.1701498 -0.0000000), wk = 0.0025000 k( 26) = ( 0.1772394 0.1772394 -0.0000000), wk = 0.0025000 k( 27) = ( 0.1843290 0.1843290 0.0000000), wk = 0.0025000 k( 28) = ( 0.1914185 0.1914185 -0.0000000), wk = 0.0025000 k( 29) = ( 0.1985081 0.1985081 -0.0000000), wk = 0.0025000 k( 30) = ( 0.2055977 0.2055977 0.0000000), wk = 0.0025000 k( 31) = ( 0.2126873 0.2126873 -0.0000000), wk = 0.0025000 k( 32) = ( 0.2197768 0.2197769 -0.0000000), wk = 0.0025000 k( 33) = ( 0.2268664 0.2268664 -0.0000000), wk = 0.0025000 k( 34) = ( 0.2339560 0.2339560 -0.0000000), wk = 0.0025000 k( 35) = ( 0.2410456 0.2410456 0.0000000), wk = 0.0025000 k( 36) = ( 0.2481351 0.2481352 0.0000000), wk = 0.0025000 k( 37) = ( 0.2552247 0.2552247 0.0000000), wk = 0.0025000 k( 38) = ( 0.2623143 0.2623143 0.0000000), wk = 0.0025000 k( 39) = ( 0.2694039 0.2694039 0.0000000), wk = 0.0025000 k( 40) = ( 0.2764934 0.2764935 0.0000000), wk = 0.0025000 k( 41) = ( 0.2835830 0.2835830 -0.0000000), wk = 0.0025000 k( 42) = ( 0.2906726 0.2906726 0.0000000), wk = 0.0025000 k( 43) = ( 0.2977622 0.2977622 0.0000000), wk = 0.0025000 k( 44) = ( 0.3048518 0.3048518 -0.0000000), wk = 0.0025000 k( 45) = ( 0.3119413 0.3119413 0.0000000), wk = 0.0025000 k( 46) = ( 0.3190309 0.3190309 -0.0000000), wk = 0.0025000 k( 47) = ( 0.3261205 0.3261205 -0.0000000), wk = 0.0025000 k( 48) = ( 0.3332101 0.3332101 -0.0000000), wk = 0.0025000 k( 49) = ( 0.3332101 0.3332101 -0.0000000), wk = 0.0025000 k( 50) = ( 0.3193263 0.3401596 -0.0000000), wk = 0.0025000 k( 51) = ( 0.3054425 0.3471092 0.0000000), wk = 0.0025000 k( 52) = ( 0.2915588 0.3540588 0.0000000), wk = 0.0025000 k( 53) = ( 0.2776750 0.3610084 -0.0000000), wk = 0.0025000 k( 54) = ( 0.2637913 0.3679580 -0.0000000), wk = 0.0025000 k( 55) = ( 0.2499075 0.3749075 0.0000000), wk = 0.0025000 k( 56) = ( 0.2360238 0.3818571 0.0000000), wk = 0.0025000 k( 57) = ( 0.2221400 0.3888067 0.0000000), wk = 0.0025000 k( 58) = ( 0.2082563 0.3957563 -0.0000000), wk = 0.0025000 k( 59) = ( 0.1943725 0.4027059 -0.0000000), wk = 0.0025000 k( 60) = ( 0.1804888 0.4096555 -0.0000000), wk = 0.0025000 k( 61) = ( 0.1666050 0.4166050 -0.0000000), wk = 0.0025000 k( 62) = ( 0.1527213 0.4235546 0.0000000), wk = 0.0025000 k( 63) = ( 0.1388375 0.4305042 0.0000000), wk = 0.0025000 k( 64) = ( 0.1249538 0.4374538 0.0000000), wk = 0.0025000 k( 65) = ( 0.1110700 0.4444034 -0.0000000), wk = 0.0025000 k( 66) = ( 0.0971863 0.4513529 -0.0000000), wk = 0.0025000 k( 67) = ( 0.0833025 0.4583025 0.0000000), wk = 0.0025000 k( 68) = ( 0.0694188 0.4652521 0.0000000), wk = 0.0025000 k( 69) = ( 0.0555350 0.4722017 -0.0000000), wk = 0.0025000 k( 70) = ( 0.0416513 0.4791513 0.0000000), wk = 0.0025000 k( 71) = ( 0.0277675 0.4861008 -0.0000000), wk = 0.0025000 k( 72) = ( 0.0138838 0.4930504 -0.0000000), wk = 0.0025000 k( 73) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025000 k( 74) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025000 k( 75) = ( 0.0000000 0.5000000 0.0172414), wk = 0.0025000 k( 76) = ( 0.0000000 0.5000000 0.0344828), wk = 0.0025000 k( 77) = ( 0.0000000 0.5000000 0.0517241), wk = 0.0025000 k( 78) = ( 0.0000000 0.5000000 0.0689655), wk = 0.0025000 k( 79) = ( 0.0000000 0.5000000 0.0862069), wk = 0.0025000 k( 80) = ( 0.0000000 0.5000000 0.1034483), wk = 0.0025000 k( 81) = ( 0.0000000 0.5000000 0.1206897), wk = 0.0025000 k( 82) = ( 0.0000000 0.5000000 0.1379310), wk = 0.0025000 k( 83) = ( 0.0000000 0.5000000 0.1551724), wk = 0.0025000 k( 84) = ( 0.0000000 0.5000000 0.1724138), wk = 0.0025000 k( 85) = ( 0.0000000 0.5000000 0.1896552), wk = 0.0025000 k( 86) = ( 0.0000000 0.5000000 0.2068966), wk = 0.0025000 k( 87) = ( 0.0000000 0.5000000 0.2241379), wk = 0.0025000 k( 88) = ( 0.0000000 0.5000000 0.2413793), wk = 0.0025000 k( 89) = ( 0.0000000 0.5000000 0.2586207), wk = 0.0025000 k( 90) = ( 0.0000000 0.5000000 0.2758621), wk = 0.0025000 k( 91) = ( 0.0000000 0.5000000 0.2931034), wk = 0.0025000 k( 92) = ( 0.0000000 0.5000000 0.3103448), wk = 0.0025000 k( 93) = ( 0.0000000 0.5000000 0.3275862), wk = 0.0025000 k( 94) = ( 0.0000000 0.5000000 0.3448276), wk = 0.0025000 k( 95) = ( 0.0000000 0.5000000 0.3620690), wk = 0.0025000 k( 96) = ( 0.0000000 0.5000000 0.3793103), wk = 0.0025000 k( 97) = ( 0.0000000 0.5000000 0.3965517), wk = 0.0025000 k( 98) = ( 0.0000000 0.5000000 0.4137931), wk = 0.0025000 k( 99) = ( 0.0000000 0.5000000 0.4310345), wk = 0.0025000 k( 100) = ( 0.0000000 0.5000000 0.4482759), wk = 0.0025000 k( 101) = ( 0.0000000 0.5000000 0.4655172), wk = 0.0025000 k( 102) = ( 0.0000000 0.5000000 0.4827586), wk = 0.0025000 k( 103) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 104) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025000 k( 105) = ( 0.0138838 0.4930504 0.5000000), wk = 0.0025000 k( 106) = ( 0.0277675 0.4861008 0.5000000), wk = 0.0025000 k( 107) = ( 0.0416513 0.4791513 0.5000000), wk = 0.0025000 k( 108) = ( 0.0555350 0.4722017 0.5000000), wk = 0.0025000 k( 109) = ( 0.0694188 0.4652521 0.5000000), wk = 0.0025000 k( 110) = ( 0.0833025 0.4583025 0.5000000), wk = 0.0025000 k( 111) = ( 0.0971863 0.4513529 0.5000000), wk = 0.0025000 k( 112) = ( 0.1110700 0.4444034 0.5000000), wk = 0.0025000 k( 113) = ( 0.1249538 0.4374538 0.5000000), wk = 0.0025000 k( 114) = ( 0.1388375 0.4305042 0.5000000), wk = 0.0025000 k( 115) = ( 0.1527213 0.4235546 0.5000000), wk = 0.0025000 k( 116) = ( 0.1666050 0.4166050 0.5000000), wk = 0.0025000 k( 117) = ( 0.1804888 0.4096555 0.5000000), wk = 0.0025000 k( 118) = ( 0.1943725 0.4027059 0.5000000), wk = 0.0025000 k( 119) = ( 0.2082563 0.3957563 0.5000000), wk = 0.0025000 k( 120) = ( 0.2221400 0.3888067 0.5000000), wk = 0.0025000 k( 121) = ( 0.2360238 0.3818571 0.5000000), wk = 0.0025000 k( 122) = ( 0.2499075 0.3749075 0.5000000), wk = 0.0025000 k( 123) = ( 0.2637913 0.3679580 0.5000000), wk = 0.0025000 k( 124) = ( 0.2776750 0.3610084 0.5000000), wk = 0.0025000 k( 125) = ( 0.2915588 0.3540588 0.5000000), wk = 0.0025000 k( 126) = ( 0.3054425 0.3471092 0.5000000), wk = 0.0025000 k( 127) = ( 0.3193263 0.3401596 0.5000000), wk = 0.0025000 k( 128) = ( 0.3332101 0.3332101 0.5000000), wk = 0.0025000 k( 129) = ( 0.3332101 0.3332101 0.5000000), wk = 0.0025000 k( 130) = ( 0.3261205 0.3261205 0.5000000), wk = 0.0025000 k( 131) = ( 0.3190309 0.3190309 0.5000000), wk = 0.0025000 k( 132) = ( 0.3119413 0.3119413 0.5000000), wk = 0.0025000 k( 133) = ( 0.3048518 0.3048518 0.5000000), wk = 0.0025000 k( 134) = ( 0.2977622 0.2977622 0.5000000), wk = 0.0025000 k( 135) = ( 0.2906726 0.2906726 0.5000000), wk = 0.0025000 k( 136) = ( 0.2835830 0.2835830 0.5000000), wk = 0.0025000 k( 137) = ( 0.2764934 0.2764935 0.5000000), wk = 0.0025000 k( 138) = ( 0.2694039 0.2694039 0.5000000), wk = 0.0025000 k( 139) = ( 0.2623143 0.2623143 0.5000000), wk = 0.0025000 k( 140) = ( 0.2552247 0.2552247 0.5000000), wk = 0.0025000 k( 141) = ( 0.2481351 0.2481352 0.5000000), wk = 0.0025000 k( 142) = ( 0.2410456 0.2410456 0.5000000), wk = 0.0025000 k( 143) = ( 0.2339560 0.2339560 0.5000000), wk = 0.0025000 k( 144) = ( 0.2268664 0.2268664 0.5000000), wk = 0.0025000 k( 145) = ( 0.2197768 0.2197769 0.5000000), wk = 0.0025000 k( 146) = ( 0.2126873 0.2126873 0.5000000), wk = 0.0025000 k( 147) = ( 0.2055977 0.2055977 0.5000000), wk = 0.0025000 k( 148) = ( 0.1985081 0.1985081 0.5000000), wk = 0.0025000 k( 149) = ( 0.1914185 0.1914185 0.5000000), wk = 0.0025000 k( 150) = ( 0.1843290 0.1843290 0.5000000), wk = 0.0025000 k( 151) = ( 0.1772394 0.1772394 0.5000000), wk = 0.0025000 k( 152) = ( 0.1701498 0.1701498 0.5000000), wk = 0.0025000 k( 153) = ( 0.1630602 0.1630602 0.5000000), wk = 0.0025000 k( 154) = ( 0.1559707 0.1559707 0.5000000), wk = 0.0025000 k( 155) = ( 0.1488811 0.1488811 0.5000000), wk = 0.0025000 k( 156) = ( 0.1417915 0.1417915 0.5000000), wk = 0.0025000 k( 157) = ( 0.1347019 0.1347019 0.5000000), wk = 0.0025000 k( 158) = ( 0.1276124 0.1276124 0.5000000), wk = 0.0025000 k( 159) = ( 0.1205228 0.1205228 0.5000000), wk = 0.0025000 k( 160) = ( 0.1134332 0.1134332 0.5000000), wk = 0.0025000 k( 161) = ( 0.1063436 0.1063436 0.5000000), wk = 0.0025000 k( 162) = ( 0.0992541 0.0992541 0.5000000), wk = 0.0025000 k( 163) = ( 0.0921645 0.0921645 0.5000000), wk = 0.0025000 k( 164) = ( 0.0850749 0.0850749 0.5000000), wk = 0.0025000 k( 165) = ( 0.0779853 0.0779853 0.5000000), wk = 0.0025000 k( 166) = ( 0.0708958 0.0708958 0.5000000), wk = 0.0025000 k( 167) = ( 0.0638062 0.0638062 0.5000000), wk = 0.0025000 k( 168) = ( 0.0567166 0.0567166 0.5000000), wk = 0.0025000 k( 169) = ( 0.0496270 0.0496270 0.5000000), wk = 0.0025000 k( 170) = ( 0.0425374 0.0425374 0.5000000), wk = 0.0025000 k( 171) = ( 0.0354479 0.0354479 0.5000000), wk = 0.0025000 k( 172) = ( 0.0283583 0.0283583 0.5000000), wk = 0.0025000 k( 173) = ( 0.0212687 0.0212687 0.5000000), wk = 0.0025000 k( 174) = ( 0.0141791 0.0141792 0.5000000), wk = 0.0025000 k( 175) = ( 0.0070896 0.0070896 0.5000000), wk = 0.0025000 k( 176) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 177) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 178) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0025000 k( 179) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0025000 k( 180) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0025000 k( 181) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0025000 k( 182) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0025000 k( 183) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0025000 k( 184) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0025000 k( 185) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0025000 k( 186) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0025000 k( 187) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0025000 k( 188) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0025000 k( 189) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0025000 k( 190) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0025000 k( 191) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0025000 k( 192) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0025000 k( 193) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0025000 k( 194) = ( 0.0000000 0.0000000 0.2068966), wk = 0.0025000 k( 195) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0025000 k( 196) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0025000 k( 197) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0025000 k( 198) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0025000 k( 199) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0025000 k( 200) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0025000 k( 201) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0025000 k( 202) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0025000 k( 203) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0025000 k( 204) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0025000 k( 205) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0025000 k( 206) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 207) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025000 k( 208) = ( -0.0121951 0.0121951 0.0000000), wk = 0.0025000 k( 209) = ( -0.0243902 0.0243902 0.0000000), wk = 0.0025000 k( 210) = ( -0.0365854 0.0365854 0.0000000), wk = 0.0025000 k( 211) = ( -0.0487805 0.0487805 -0.0000000), wk = 0.0025000 k( 212) = ( -0.0609756 0.0609756 0.0000000), wk = 0.0025000 k( 213) = ( -0.0731707 0.0731707 0.0000000), wk = 0.0025000 k( 214) = ( -0.0853658 0.0853658 0.0000000), wk = 0.0025000 k( 215) = ( -0.0975610 0.0975610 -0.0000000), wk = 0.0025000 k( 216) = ( -0.1097561 0.1097561 0.0000000), wk = 0.0025000 k( 217) = ( -0.1219512 0.1219512 0.0000000), wk = 0.0025000 k( 218) = ( -0.1341463 0.1341463 0.0000000), wk = 0.0025000 k( 219) = ( -0.1463415 0.1463415 0.0000000), wk = 0.0025000 k( 220) = ( -0.1585366 0.1585366 0.0000000), wk = 0.0025000 k( 221) = ( -0.1707317 0.1707317 0.0000000), wk = 0.0025000 k( 222) = ( -0.1829268 0.1829268 0.0000000), wk = 0.0025000 k( 223) = ( -0.1951219 0.1951220 0.0000000), wk = 0.0025000 k( 224) = ( -0.2073171 0.2073171 0.0000000), wk = 0.0025000 k( 225) = ( -0.2195122 0.2195122 0.0000000), wk = 0.0025000 k( 226) = ( -0.2317073 0.2317073 -0.0000000), wk = 0.0025000 k( 227) = ( -0.2439024 0.2439024 0.0000000), wk = 0.0025000 k( 228) = ( -0.2560976 0.2560976 0.0000000), wk = 0.0025000 k( 229) = ( -0.2682927 0.2682927 0.0000000), wk = 0.0025000 k( 230) = ( -0.2804878 0.2804878 -0.0000000), wk = 0.0025000 k( 231) = ( -0.2926829 0.2926829 -0.0000000), wk = 0.0025000 k( 232) = ( -0.3048781 0.3048781 0.0000000), wk = 0.0025000 k( 233) = ( -0.3170732 0.3170732 0.0000000), wk = 0.0025000 k( 234) = ( -0.3292683 0.3292683 0.0000000), wk = 0.0025000 k( 235) = ( -0.3414634 0.3414634 0.0000000), wk = 0.0025000 k( 236) = ( -0.3536585 0.3536585 0.0000000), wk = 0.0025000 k( 237) = ( -0.3658537 0.3658537 0.0000000), wk = 0.0025000 k( 238) = ( -0.3780488 0.3780488 0.0000000), wk = 0.0025000 k( 239) = ( -0.3902439 0.3902439 0.0000000), wk = 0.0025000 k( 240) = ( -0.4024390 0.4024390 0.0000000), wk = 0.0025000 k( 241) = ( -0.4146341 0.4146342 0.0000000), wk = 0.0025000 k( 242) = ( -0.4268293 0.4268293 0.0000000), wk = 0.0025000 k( 243) = ( -0.4390244 0.4390244 0.0000000), wk = 0.0025000 k( 244) = ( -0.4512195 0.4512195 0.0000000), wk = 0.0025000 k( 245) = ( -0.4634146 0.4634146 0.0000000), wk = 0.0025000 k( 246) = ( -0.4756098 0.4756098 -0.0000000), wk = 0.0025000 k( 247) = ( -0.4878049 0.4878049 0.0000000), wk = 0.0025000 k( 248) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 249) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 250) = ( -0.4930504 0.5069496 0.0000000), wk = 0.0025000 k( 251) = ( -0.4861008 0.5138992 0.0000000), wk = 0.0025000 k( 252) = ( -0.4791513 0.5208487 -0.0000000), wk = 0.0025000 k( 253) = ( -0.4722017 0.5277983 0.0000000), wk = 0.0025000 k( 254) = ( -0.4652521 0.5347479 0.0000000), wk = 0.0025000 k( 255) = ( -0.4583025 0.5416975 0.0000000), wk = 0.0025000 k( 256) = ( -0.4513529 0.5486471 0.0000000), wk = 0.0025000 k( 257) = ( -0.4444033 0.5555967 0.0000000), wk = 0.0025000 k( 258) = ( -0.4374538 0.5625462 0.0000000), wk = 0.0025000 k( 259) = ( -0.4305042 0.5694958 0.0000000), wk = 0.0025000 k( 260) = ( -0.4235546 0.5764454 0.0000000), wk = 0.0025000 k( 261) = ( -0.4166050 0.5833950 0.0000000), wk = 0.0025000 k( 262) = ( -0.4096554 0.5903446 0.0000000), wk = 0.0025000 k( 263) = ( -0.4027059 0.5972941 0.0000000), wk = 0.0025000 k( 264) = ( -0.3957563 0.6042437 0.0000000), wk = 0.0025000 k( 265) = ( -0.3888067 0.6111933 0.0000000), wk = 0.0025000 k( 266) = ( -0.3818571 0.6181429 0.0000000), wk = 0.0025000 k( 267) = ( -0.3749075 0.6250925 0.0000000), wk = 0.0025000 k( 268) = ( -0.3679580 0.6320420 0.0000000), wk = 0.0025000 k( 269) = ( -0.3610084 0.6389916 0.0000000), wk = 0.0025000 k( 270) = ( -0.3540588 0.6459412 0.0000000), wk = 0.0025000 k( 271) = ( -0.3471092 0.6528908 -0.0000000), wk = 0.0025000 k( 272) = ( -0.3401596 0.6598404 0.0000000), wk = 0.0025000 k( 273) = ( -0.3332101 0.6667899 -0.0000000), wk = 0.0025000 k( 274) = ( -0.3332101 0.6667899 -0.0000000), wk = 0.0025000 k( 275) = ( -0.3332101 0.6667899 0.0172414), wk = 0.0025000 k( 276) = ( -0.3332101 0.6667899 0.0344828), wk = 0.0025000 k( 277) = ( -0.3332101 0.6667899 0.0517241), wk = 0.0025000 k( 278) = ( -0.3332101 0.6667899 0.0689655), wk = 0.0025000 k( 279) = ( -0.3332101 0.6667899 0.0862069), wk = 0.0025000 k( 280) = ( -0.3332101 0.6667899 0.1034483), wk = 0.0025000 k( 281) = ( -0.3332101 0.6667899 0.1206897), wk = 0.0025000 k( 282) = ( -0.3332101 0.6667899 0.1379310), wk = 0.0025000 k( 283) = ( -0.3332101 0.6667899 0.1551724), wk = 0.0025000 k( 284) = ( -0.3332101 0.6667899 0.1724138), wk = 0.0025000 k( 285) = ( -0.3332101 0.6667899 0.1896552), wk = 0.0025000 k( 286) = ( -0.3332101 0.6667899 0.2068966), wk = 0.0025000 k( 287) = ( -0.3332101 0.6667899 0.2241379), wk = 0.0025000 k( 288) = ( -0.3332101 0.6667899 0.2413793), wk = 0.0025000 k( 289) = ( -0.3332101 0.6667899 0.2586207), wk = 0.0025000 k( 290) = ( -0.3332101 0.6667899 0.2758621), wk = 0.0025000 k( 291) = ( -0.3332101 0.6667899 0.2931035), wk = 0.0025000 k( 292) = ( -0.3332101 0.6667899 0.3103448), wk = 0.0025000 k( 293) = ( -0.3332101 0.6667899 0.3275862), wk = 0.0025000 k( 294) = ( -0.3332101 0.6667899 0.3448276), wk = 0.0025000 k( 295) = ( -0.3332101 0.6667899 0.3620690), wk = 0.0025000 k( 296) = ( -0.3332101 0.6667899 0.3793103), wk = 0.0025000 k( 297) = ( -0.3332101 0.6667899 0.3965517), wk = 0.0025000 k( 298) = ( -0.3332101 0.6667899 0.4137931), wk = 0.0025000 k( 299) = ( -0.3332101 0.6667899 0.4310345), wk = 0.0025000 k( 300) = ( -0.3332101 0.6667899 0.4482759), wk = 0.0025000 k( 301) = ( -0.3332101 0.6667899 0.4655172), wk = 0.0025000 k( 302) = ( -0.3332101 0.6667899 0.4827586), wk = 0.0025000 k( 303) = ( -0.3332101 0.6667899 0.5000000), wk = 0.0025000 k( 304) = ( -0.3332101 0.6667899 0.5000000), wk = 0.0025000 k( 305) = ( -0.3401596 0.6598404 0.5000000), wk = 0.0025000 k( 306) = ( -0.3471092 0.6528908 0.5000000), wk = 0.0025000 k( 307) = ( -0.3540588 0.6459412 0.5000000), wk = 0.0025000 k( 308) = ( -0.3610084 0.6389916 0.5000000), wk = 0.0025000 k( 309) = ( -0.3679580 0.6320420 0.5000000), wk = 0.0025000 k( 310) = ( -0.3749075 0.6250925 0.5000000), wk = 0.0025000 k( 311) = ( -0.3818571 0.6181429 0.5000000), wk = 0.0025000 k( 312) = ( -0.3888067 0.6111933 0.5000000), wk = 0.0025000 k( 313) = ( -0.3957563 0.6042437 0.5000000), wk = 0.0025000 k( 314) = ( -0.4027059 0.5972941 0.5000000), wk = 0.0025000 k( 315) = ( -0.4096554 0.5903446 0.5000000), wk = 0.0025000 k( 316) = ( -0.4166050 0.5833950 0.5000000), wk = 0.0025000 k( 317) = ( -0.4235546 0.5764454 0.5000000), wk = 0.0025000 k( 318) = ( -0.4305042 0.5694958 0.5000000), wk = 0.0025000 k( 319) = ( -0.4374538 0.5625462 0.5000000), wk = 0.0025000 k( 320) = ( -0.4444033 0.5555967 0.5000000), wk = 0.0025000 k( 321) = ( -0.4513529 0.5486471 0.5000000), wk = 0.0025000 k( 322) = ( -0.4583025 0.5416975 0.5000000), wk = 0.0025000 k( 323) = ( -0.4652521 0.5347479 0.5000000), wk = 0.0025000 k( 324) = ( -0.4722017 0.5277983 0.5000000), wk = 0.0025000 k( 325) = ( -0.4791513 0.5208487 0.5000000), wk = 0.0025000 k( 326) = ( -0.4861008 0.5138992 0.5000000), wk = 0.0025000 k( 327) = ( -0.4930504 0.5069496 0.5000000), wk = 0.0025000 k( 328) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 329) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025000 k( 330) = ( -0.5000000 0.5000000 0.4827586), wk = 0.0025000 k( 331) = ( -0.5000000 0.5000000 0.4655172), wk = 0.0025000 k( 332) = ( -0.5000000 0.5000000 0.4482759), wk = 0.0025000 k( 333) = ( -0.5000000 0.5000000 0.4310345), wk = 0.0025000 k( 334) = ( -0.5000000 0.5000000 0.4137931), wk = 0.0025000 k( 335) = ( -0.5000000 0.5000000 0.3965517), wk = 0.0025000 k( 336) = ( -0.5000000 0.5000000 0.3793103), wk = 0.0025000 k( 337) = ( -0.5000000 0.5000000 0.3620690), wk = 0.0025000 k( 338) = ( -0.5000000 0.5000000 0.3448276), wk = 0.0025000 k( 339) = ( -0.5000000 0.5000000 0.3275862), wk = 0.0025000 k( 340) = ( -0.5000000 0.5000000 0.3103448), wk = 0.0025000 k( 341) = ( -0.5000000 0.5000000 0.2931034), wk = 0.0025000 k( 342) = ( -0.5000000 0.5000000 0.2758621), wk = 0.0025000 k( 343) = ( -0.5000000 0.5000000 0.2586207), wk = 0.0025000 k( 344) = ( -0.5000000 0.5000000 0.2413793), wk = 0.0025000 k( 345) = ( -0.5000000 0.5000000 0.2241379), wk = 0.0025000 k( 346) = ( -0.5000000 0.5000000 0.2068966), wk = 0.0025000 k( 347) = ( -0.5000000 0.5000000 0.1896552), wk = 0.0025000 k( 348) = ( -0.5000000 0.5000000 0.1724138), wk = 0.0025000 k( 349) = ( -0.5000000 0.5000000 0.1551724), wk = 0.0025000 k( 350) = ( -0.5000000 0.5000000 0.1379310), wk = 0.0025000 k( 351) = ( -0.5000000 0.5000000 0.1206897), wk = 0.0025000 k( 352) = ( -0.5000000 0.5000000 0.1034483), wk = 0.0025000 k( 353) = ( -0.5000000 0.5000000 0.0862069), wk = 0.0025000 k( 354) = ( -0.5000000 0.5000000 0.0689655), wk = 0.0025000 k( 355) = ( -0.5000000 0.5000000 0.0517241), wk = 0.0025000 k( 356) = ( -0.5000000 0.5000000 0.0344828), wk = 0.0025000 k( 357) = ( -0.5000000 0.5000000 0.0172414), wk = 0.0025000 k( 358) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025000 k( 359) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025000 k( 360) = ( -0.0121951 0.0121951 0.5000000), wk = 0.0025000 k( 361) = ( -0.0243902 0.0243902 0.5000000), wk = 0.0025000 k( 362) = ( -0.0365854 0.0365854 0.5000000), wk = 0.0025000 k( 363) = ( -0.0487805 0.0487805 0.5000000), wk = 0.0025000 k( 364) = ( -0.0609756 0.0609756 0.5000000), wk = 0.0025000 k( 365) = ( -0.0731707 0.0731707 0.5000000), wk = 0.0025000 k( 366) = ( -0.0853658 0.0853658 0.5000000), wk = 0.0025000 k( 367) = ( -0.0975610 0.0975610 0.5000000), wk = 0.0025000 k( 368) = ( -0.1097561 0.1097561 0.5000000), wk = 0.0025000 k( 369) = ( -0.1219512 0.1219512 0.5000000), wk = 0.0025000 k( 370) = ( -0.1341463 0.1341463 0.5000000), wk = 0.0025000 k( 371) = ( -0.1463415 0.1463415 0.5000000), wk = 0.0025000 k( 372) = ( -0.1585366 0.1585366 0.5000000), wk = 0.0025000 k( 373) = ( -0.1707317 0.1707317 0.5000000), wk = 0.0025000 k( 374) = ( -0.1829268 0.1829268 0.5000000), wk = 0.0025000 k( 375) = ( -0.1951219 0.1951220 0.5000000), wk = 0.0025000 k( 376) = ( -0.2073171 0.2073171 0.5000000), wk = 0.0025000 k( 377) = ( -0.2195122 0.2195122 0.5000000), wk = 0.0025000 k( 378) = ( -0.2317073 0.2317073 0.5000000), wk = 0.0025000 k( 379) = ( -0.2439024 0.2439024 0.5000000), wk = 0.0025000 k( 380) = ( -0.2560976 0.2560976 0.5000000), wk = 0.0025000 k( 381) = ( -0.2682927 0.2682927 0.5000000), wk = 0.0025000 k( 382) = ( -0.2804878 0.2804878 0.5000000), wk = 0.0025000 k( 383) = ( -0.2926829 0.2926829 0.5000000), wk = 0.0025000 k( 384) = ( -0.3048781 0.3048781 0.5000000), wk = 0.0025000 k( 385) = ( -0.3170732 0.3170732 0.5000000), wk = 0.0025000 k( 386) = ( -0.3292683 0.3292683 0.5000000), wk = 0.0025000 k( 387) = ( -0.3414634 0.3414634 0.5000000), wk = 0.0025000 k( 388) = ( -0.3536585 0.3536585 0.5000000), wk = 0.0025000 k( 389) = ( -0.3658537 0.3658537 0.5000000), wk = 0.0025000 k( 390) = ( -0.3780488 0.3780488 0.5000000), wk = 0.0025000 k( 391) = ( -0.3902439 0.3902439 0.5000000), wk = 0.0025000 k( 392) = ( -0.4024390 0.4024390 0.5000000), wk = 0.0025000 k( 393) = ( -0.4146341 0.4146342 0.5000000), wk = 0.0025000 k( 394) = ( -0.4268293 0.4268293 0.5000000), wk = 0.0025000 k( 395) = ( -0.4390244 0.4390244 0.5000000), wk = 0.0025000 k( 396) = ( -0.4512195 0.4512195 0.5000000), wk = 0.0025000 k( 397) = ( -0.4634146 0.4634146 0.5000000), wk = 0.0025000 k( 398) = ( -0.4756098 0.4756098 0.5000000), wk = 0.0025000 k( 399) = ( -0.4878049 0.4878049 0.5000000), wk = 0.0025000 k( 400) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025000 Dense grid: 64867 G-vectors FFT dimensions: ( 50, 50, 64) Smooth grid: 28599 G-vectors FFT dimensions: ( 40, 40, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 214, 40) NL pseudopotentials 0.12 Mb ( 107, 72) Each V/rho on FFT grid 0.08 Mb ( 5000) Each G-vector array 0.01 Mb ( 1804) G-vector shells 0.01 Mb ( 891) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.52 Mb ( 214, 160) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.09 Mb ( 72, 2, 40) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./H2O.save/charge-density.dat Starting wfc are 48 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 2.1 secs Computing kpt #: 3 total cpu time spent up to now is 2.6 secs Computing kpt #: 4 total cpu time spent up to now is 3.0 secs Computing kpt #: 5 total cpu time spent up to now is 3.5 secs Computing kpt #: 6 total cpu time spent up to now is 4.0 secs Computing kpt #: 7 total cpu time spent up to now is 4.4 secs Computing kpt #: 8 total cpu time spent up to now is 4.9 secs Computing kpt #: 9 total cpu time spent up to now is 5.4 secs Computing kpt #: 10 total cpu time spent up to now is 5.9 secs Computing kpt #: 11 total cpu time spent up to now is 6.4 secs Computing kpt #: 12 total cpu time spent up to now is 6.8 secs Computing kpt #: 13 total cpu time spent up to now is 7.4 secs Computing kpt #: 14 total cpu time spent up to now is 7.8 secs Computing kpt #: 15 total cpu time spent up to now is 8.3 secs Computing kpt #: 16 total cpu time spent up to now is 8.8 secs Computing kpt #: 17 total cpu time spent up to now is 9.2 secs Computing kpt #: 18 total cpu time spent up to now is 9.7 secs Computing kpt #: 19 total cpu time spent up to now is 10.2 secs Computing kpt #: 20 total cpu time spent up to now is 10.6 secs Computing kpt #: 21 total cpu time spent up to now is 11.1 secs Computing kpt #: 22 total cpu time spent up to now is 11.6 secs Computing kpt #: 23 total cpu time spent up to now is 12.2 secs Computing kpt #: 24 total cpu time spent up to now is 12.7 secs Computing kpt #: 25 total cpu time spent up to now is 13.2 secs Computing kpt #: 26 total cpu time spent up to now is 13.7 secs Computing kpt #: 27 total cpu time spent up to now is 14.2 secs Computing kpt #: 28 total cpu time spent up to now is 14.7 secs Computing kpt #: 29 total cpu time spent up to now is 15.2 secs Computing kpt #: 30 total cpu time spent up to now is 15.7 secs Computing kpt #: 31 total cpu time spent up to now is 16.2 secs Computing kpt #: 32 total cpu time spent up to now is 16.9 secs Computing kpt #: 33 total cpu time spent up to now is 17.5 secs Computing kpt #: 34 total cpu time spent up to now is 18.1 secs Computing kpt #: 35 total cpu time spent up to now is 18.7 secs Computing kpt #: 36 total cpu time spent up to now is 19.2 secs Computing kpt #: 37 total cpu time spent up to now is 19.6 secs Computing kpt #: 38 total cpu time spent up to now is 20.1 secs Computing kpt #: 39 total cpu time spent up to now is 20.6 secs Computing kpt #: 40 total cpu time spent up to now is 21.1 secs Computing kpt #: 41 total cpu time spent up to now is 21.5 secs Computing kpt #: 42 total cpu time spent up to now is 22.0 secs Computing kpt #: 43 total cpu time spent up to now is 22.5 secs Computing kpt #: 44 total cpu time spent up to now is 23.0 secs Computing kpt #: 45 total cpu time spent up to now is 23.5 secs Computing kpt #: 46 total cpu time spent up to now is 24.0 secs Computing kpt #: 47 total cpu time spent up to now is 24.5 secs Computing kpt #: 48 total cpu time spent up to now is 25.0 secs Computing kpt #: 49 total cpu time spent up to now is 25.5 secs Computing kpt #: 50 total cpu time spent up to now is 26.0 secs Computing kpt #: 51 total cpu time spent up to now is 26.5 secs Computing kpt #: 52 total cpu time spent up to now is 26.9 secs Computing kpt #: 53 total cpu time spent up to now is 27.4 secs Computing kpt #: 54 total cpu time spent up to now is 27.9 secs Computing kpt #: 55 total cpu time spent up to now is 28.4 secs Computing kpt #: 56 total cpu time spent up to now is 28.9 secs Computing kpt #: 57 total cpu time spent up to now is 29.4 secs Computing kpt #: 58 total cpu time spent up to now is 29.9 secs Computing kpt #: 59 total cpu time spent up to now is 30.4 secs Computing kpt #: 60 total cpu time spent up to now is 30.8 secs Computing kpt #: 61 total cpu time spent up to now is 31.4 secs Computing kpt #: 62 total cpu time spent up to now is 31.8 secs Computing kpt #: 63 total cpu time spent up to now is 32.3 secs Computing kpt #: 64 total cpu time spent up to now is 32.8 secs Computing kpt #: 65 total cpu time spent up to now is 33.2 secs Computing kpt #: 66 total cpu time spent up to now is 33.6 secs Computing kpt #: 67 total cpu time spent up to now is 34.2 secs Computing kpt #: 68 total cpu time spent up to now is 34.6 secs Computing kpt #: 69 total cpu time spent up to now is 35.1 secs Computing kpt #: 70 total cpu time spent up to now is 35.6 secs Computing kpt #: 71 total cpu time spent up to now is 36.0 secs Computing kpt #: 72 total cpu time spent up to now is 36.6 secs Computing kpt #: 73 total cpu time spent up to now is 37.1 secs Computing kpt #: 74 total cpu time spent up to now is 37.5 secs Computing kpt #: 75 total cpu time spent up to now is 38.0 secs Computing kpt #: 76 total cpu time spent up to now is 38.5 secs Computing kpt #: 77 total cpu time spent up to now is 39.0 secs Computing kpt #: 78 total cpu time spent up to now is 39.5 secs Computing kpt #: 79 total cpu time spent up to now is 40.0 secs Computing kpt #: 80 total cpu time spent up to now is 40.4 secs Computing kpt #: 81 total cpu time spent up to now is 41.0 secs Computing kpt #: 82 total cpu time spent up to now is 41.4 secs Computing kpt #: 83 total cpu time spent up to now is 41.9 secs Computing kpt #: 84 total cpu time spent up to now is 42.4 secs Computing kpt #: 85 total cpu time spent up to now is 42.9 secs Computing kpt #: 86 total cpu time spent up to now is 43.4 secs Computing kpt #: 87 total cpu time spent up to now is 43.8 secs Computing kpt #: 88 total cpu time spent up to now is 44.3 secs Computing kpt #: 89 total cpu time spent up to now is 44.8 secs Computing kpt #: 90 total cpu time spent up to now is 45.3 secs Computing kpt #: 91 total cpu time spent up to now is 45.8 secs Computing kpt #: 92 total cpu time spent up to now is 46.2 secs Computing kpt #: 93 total cpu time spent up to now is 46.7 secs Computing kpt #: 94 total cpu time spent up to now is 47.2 secs Computing kpt #: 95 total cpu time spent up to now is 47.7 secs Computing kpt #: 96 total cpu time spent up to now is 48.2 secs Computing kpt #: 97 total cpu time spent up to now is 48.7 secs Computing kpt #: 98 total cpu time spent up to now is 49.1 secs Computing kpt #: 99 total cpu time spent up to now is 49.6 secs Computing kpt #: 100 total cpu time spent up to now is 50.1 secs Computing kpt #: 101 total cpu time spent up to now is 50.6 secs Computing kpt #: 102 total cpu time spent up to now is 51.0 secs Computing kpt #: 103 total cpu time spent up to now is 51.6 secs Computing kpt #: 104 total cpu time spent up to now is 52.0 secs Computing kpt #: 105 total cpu time spent up to now is 52.6 secs Computing kpt #: 106 total cpu time spent up to now is 53.0 secs Computing kpt #: 107 total cpu time spent up to now is 53.5 secs Computing kpt #: 108 total cpu time spent up to now is 54.0 secs Computing kpt #: 109 total cpu time spent up to now is 54.5 secs Computing kpt #: 110 total cpu time spent up to now is 55.0 secs Computing kpt #: 111 total cpu time spent up to now is 55.4 secs Computing kpt #: 112 total cpu time spent up to now is 55.8 secs Computing kpt #: 113 total cpu time spent up to now is 56.3 secs Computing kpt #: 114 total cpu time spent up to now is 56.8 secs Computing kpt #: 115 total cpu time spent up to now is 57.2 secs Computing kpt #: 116 total cpu time spent up to now is 57.6 secs Computing kpt #: 117 total cpu time spent up to now is 58.1 secs Computing kpt #: 118 total cpu time spent up to now is 58.6 secs Computing kpt #: 119 total cpu time spent up to now is 59.0 secs Computing kpt #: 120 total cpu time spent up to now is 59.4 secs Computing kpt #: 121 total cpu time spent up to now is 59.8 secs Computing kpt #: 122 total cpu time spent up to now is 60.2 secs Computing kpt #: 123 total cpu time spent up to now is 60.6 secs Computing kpt #: 124 total cpu time spent up to now is 61.1 secs Computing kpt #: 125 total cpu time spent up to now is 61.5 secs Computing kpt #: 126 total cpu time spent up to now is 61.9 secs Computing kpt #: 127 total cpu time spent up to now is 62.3 secs Computing kpt #: 128 total cpu time spent up to now is 62.8 secs Computing kpt #: 129 total cpu time spent up to now is 63.2 secs Computing kpt #: 130 total cpu time spent up to now is 63.6 secs Computing kpt #: 131 total cpu time spent up to now is 64.1 secs Computing kpt #: 132 total cpu time spent up to now is 64.5 secs Computing kpt #: 133 total cpu time spent up to now is 64.9 secs Computing kpt #: 134 total cpu time spent up to now is 65.4 secs Computing kpt #: 135 total cpu time spent up to now is 65.8 secs Computing kpt #: 136 total cpu time spent up to now is 66.2 secs Computing kpt #: 137 total cpu time spent up to now is 66.6 secs Computing kpt #: 138 total cpu time spent up to now is 67.0 secs Computing kpt #: 139 total cpu time spent up to now is 67.5 secs Computing kpt #: 140 total cpu time spent up to now is 67.9 secs Computing kpt #: 141 total cpu time spent up to now is 68.4 secs Computing kpt #: 142 total cpu time spent up to now is 68.9 secs Computing kpt #: 143 total cpu time spent up to now is 69.3 secs Computing kpt #: 144 total cpu time spent up to now is 69.8 secs Computing kpt #: 145 total cpu time spent up to now is 70.2 secs Computing kpt #: 146 total cpu time spent up to now is 70.7 secs Computing kpt #: 147 total cpu time spent up to now is 71.2 secs Computing kpt #: 148 total cpu time spent up to now is 71.7 secs Computing kpt #: 149 total cpu time spent up to now is 72.2 secs Computing kpt #: 150 total cpu time spent up to now is 72.7 secs Computing kpt #: 151 total cpu time spent up to now is 73.1 secs Computing kpt #: 152 total cpu time spent up to now is 73.6 secs Computing kpt #: 153 total cpu time spent up to now is 74.1 secs Computing kpt #: 154 total cpu time spent up to now is 74.6 secs Computing kpt #: 155 total cpu time spent up to now is 75.0 secs Computing kpt #: 156 total cpu time spent up to now is 75.5 secs Computing kpt #: 157 total cpu time spent up to now is 76.0 secs Computing kpt #: 158 total cpu time spent up to now is 76.4 secs Computing kpt #: 159 total cpu time spent up to now is 76.9 secs Computing kpt #: 160 total cpu time spent up to now is 77.4 secs Computing kpt #: 161 total cpu time spent up to now is 77.8 secs Computing kpt #: 162 total cpu time spent up to now is 78.3 secs Computing kpt #: 163 total cpu time spent up to now is 78.8 secs Computing kpt #: 164 total cpu time spent up to now is 79.2 secs Computing kpt #: 165 total cpu time spent up to now is 79.7 secs Computing kpt #: 166 total cpu time spent up to now is 80.2 secs Computing kpt #: 167 total cpu time spent up to now is 80.6 secs Computing kpt #: 168 total cpu time spent up to now is 81.0 secs Computing kpt #: 169 total cpu time spent up to now is 81.5 secs Computing kpt #: 170 total cpu time spent up to now is 82.0 secs Computing kpt #: 171 total cpu time spent up to now is 82.4 secs Computing kpt #: 172 total cpu time spent up to now is 82.9 secs Computing kpt #: 173 total cpu time spent up to now is 83.4 secs Computing kpt #: 174 total cpu time spent up to now is 83.8 secs Computing kpt #: 175 total cpu time spent up to now is 84.2 secs Computing kpt #: 176 total cpu time spent up to now is 84.6 secs Computing kpt #: 177 total cpu time spent up to now is 85.0 secs Computing kpt #: 178 total cpu time spent up to now is 85.4 secs Computing kpt #: 179 total cpu time spent up to now is 85.8 secs Computing kpt #: 180 total cpu time spent up to now is 86.3 secs Computing kpt #: 181 total cpu time spent up to now is 86.8 secs Computing kpt #: 182 total cpu time spent up to now is 87.2 secs Computing kpt #: 183 total cpu time spent up to now is 87.6 secs Computing kpt #: 184 total cpu time spent up to now is 88.1 secs Computing kpt #: 185 total cpu time spent up to now is 88.5 secs Computing kpt #: 186 total cpu time spent up to now is 89.0 secs Computing kpt #: 187 total cpu time spent up to now is 89.4 secs Computing kpt #: 188 total cpu time spent up to now is 89.9 secs Computing kpt #: 189 total cpu time spent up to now is 90.4 secs Computing kpt #: 190 total cpu time spent up to now is 90.8 secs Computing kpt #: 191 total cpu time spent up to now is 91.2 secs Computing kpt #: 192 total cpu time spent up to now is 91.7 secs Computing kpt #: 193 total cpu time spent up to now is 92.2 secs Computing kpt #: 194 total cpu time spent up to now is 92.5 secs Computing kpt #: 195 total cpu time spent up to now is 93.0 secs Computing kpt #: 196 total cpu time spent up to now is 93.4 secs Computing kpt #: 197 total cpu time spent up to now is 93.8 secs Computing kpt #: 198 total cpu time spent up to now is 94.3 secs Computing kpt #: 199 total cpu time spent up to now is 94.8 secs Computing kpt #: 200 total cpu time spent up to now is 95.2 secs Computing kpt #: 201 total cpu time spent up to now is 95.6 secs Computing kpt #: 202 total cpu time spent up to now is 96.1 secs Computing kpt #: 203 total cpu time spent up to now is 96.6 secs Computing kpt #: 204 total cpu time spent up to now is 97.0 secs Computing kpt #: 205 total cpu time spent up to now is 97.5 secs Computing kpt #: 206 total cpu time spent up to now is 98.0 secs Computing kpt #: 207 total cpu time spent up to now is 98.4 secs Computing kpt #: 208 total cpu time spent up to now is 98.9 secs Computing kpt #: 209 total cpu time spent up to now is 99.3 secs Computing kpt #: 210 total cpu time spent up to now is 99.8 secs Computing kpt #: 211 total cpu time spent up to now is 100.3 secs Computing kpt #: 212 total cpu time spent up to now is 100.7 secs Computing kpt #: 213 total cpu time spent up to now is 101.2 secs Computing kpt #: 214 total cpu time spent up to now is 101.7 secs Computing kpt #: 215 total cpu time spent up to now is 102.1 secs Computing kpt #: 216 total cpu time spent up to now is 102.6 secs Computing kpt #: 217 total cpu time spent up to now is 103.1 secs Computing kpt #: 218 total cpu time spent up to now is 103.5 secs Computing kpt #: 219 total cpu time spent up to now is 104.0 secs Computing kpt #: 220 total cpu time spent up to now is 104.4 secs Computing kpt #: 221 total cpu time spent up to now is 104.9 secs Computing kpt #: 222 total cpu time spent up to now is 105.4 secs Computing kpt #: 223 total cpu time spent up to now is 105.8 secs Computing kpt #: 224 total cpu time spent up to now is 106.2 secs Computing kpt #: 225 total cpu time spent up to now is 106.7 secs Computing kpt #: 226 total cpu time spent up to now is 107.2 secs Computing kpt #: 227 total cpu time spent up to now is 107.7 secs Computing kpt #: 228 total cpu time spent up to now is 108.2 secs Computing kpt #: 229 total cpu time spent up to now is 108.6 secs Computing kpt #: 230 total cpu time spent up to now is 109.1 secs Computing kpt #: 231 total cpu time spent up to now is 109.6 secs Computing kpt #: 232 total cpu time spent up to now is 110.1 secs Computing kpt #: 233 total cpu time spent up to now is 110.5 secs Computing kpt #: 234 total cpu time spent up to now is 111.0 secs Computing kpt #: 235 total cpu time spent up to now is 111.5 secs Computing kpt #: 236 total cpu time spent up to now is 112.0 secs Computing kpt #: 237 total cpu time spent up to now is 112.4 secs Computing kpt #: 238 total cpu time spent up to now is 112.9 secs Computing kpt #: 239 total cpu time spent up to now is 113.4 secs Computing kpt #: 240 total cpu time spent up to now is 113.9 secs Computing kpt #: 241 total cpu time spent up to now is 114.4 secs Computing kpt #: 242 total cpu time spent up to now is 114.9 secs Computing kpt #: 243 total cpu time spent up to now is 115.4 secs Computing kpt #: 244 total cpu time spent up to now is 115.9 secs Computing kpt #: 245 total cpu time spent up to now is 116.4 secs Computing kpt #: 246 total cpu time spent up to now is 116.9 secs Computing kpt #: 247 total cpu time spent up to now is 117.4 secs Computing kpt #: 248 total cpu time spent up to now is 118.0 secs Computing kpt #: 249 total cpu time spent up to now is 118.5 secs Computing kpt #: 250 total cpu time spent up to now is 119.1 secs Computing kpt #: 251 total cpu time spent up to now is 119.6 secs Computing kpt #: 252 total cpu time spent up to now is 120.1 secs Computing kpt #: 253 total cpu time spent up to now is 120.7 secs Computing kpt #: 254 total cpu time spent up to now is 121.3 secs Computing kpt #: 255 total cpu time spent up to now is 121.8 secs Computing kpt #: 256 total cpu time spent up to now is 122.3 secs Computing kpt #: 257 total cpu time spent up to now is 122.9 secs Computing kpt #: 258 total cpu time spent up to now is 123.5 secs Computing kpt #: 259 total cpu time spent up to now is 124.1 secs Computing kpt #: 260 total cpu time spent up to now is 124.6 secs Computing kpt #: 261 total cpu time spent up to now is 125.0 secs Computing kpt #: 262 total cpu time spent up to now is 125.5 secs Computing kpt #: 263 total cpu time spent up to now is 126.0 secs Computing kpt #: 264 total cpu time spent up to now is 126.5 secs Computing kpt #: 265 total cpu time spent up to now is 127.0 secs Computing kpt #: 266 total cpu time spent up to now is 127.5 secs Computing kpt #: 267 total cpu time spent up to now is 128.0 secs Computing kpt #: 268 total cpu time spent up to now is 128.4 secs Computing kpt #: 269 total cpu time spent up to now is 128.9 secs Computing kpt #: 270 total cpu time spent up to now is 129.4 secs Computing kpt #: 271 total cpu time spent up to now is 129.8 secs Computing kpt #: 272 total cpu time spent up to now is 130.3 secs Computing kpt #: 273 total cpu time spent up to now is 130.8 secs Computing kpt #: 274 total cpu time spent up to now is 131.3 secs Computing kpt #: 275 total cpu time spent up to now is 131.8 secs Computing kpt #: 276 total cpu time spent up to now is 132.3 secs Computing kpt #: 277 total cpu time spent up to now is 132.8 secs Computing kpt #: 278 total cpu time spent up to now is 133.2 secs Computing kpt #: 279 total cpu time spent up to now is 133.7 secs Computing kpt #: 280 total cpu time spent up to now is 134.2 secs Computing kpt #: 281 total cpu time spent up to now is 134.7 secs Computing kpt #: 282 total cpu time spent up to now is 135.2 secs Computing kpt #: 283 total cpu time spent up to now is 135.7 secs Computing kpt #: 284 total cpu time spent up to now is 136.2 secs Computing kpt #: 285 total cpu time spent up to now is 136.7 secs Computing kpt #: 286 total cpu time spent up to now is 137.2 secs Computing kpt #: 287 total cpu time spent up to now is 137.6 secs Computing kpt #: 288 total cpu time spent up to now is 138.1 secs Computing kpt #: 289 total cpu time spent up to now is 138.6 secs Computing kpt #: 290 total cpu time spent up to now is 139.1 secs Computing kpt #: 291 total cpu time spent up to now is 139.6 secs Computing kpt #: 292 total cpu time spent up to now is 140.0 secs Computing kpt #: 293 total cpu time spent up to now is 140.4 secs Computing kpt #: 294 total cpu time spent up to now is 140.8 secs Computing kpt #: 295 total cpu time spent up to now is 141.2 secs Computing kpt #: 296 total cpu time spent up to now is 141.6 secs Computing kpt #: 297 total cpu time spent up to now is 142.1 secs Computing kpt #: 298 total cpu time spent up to now is 142.5 secs Computing kpt #: 299 total cpu time spent up to now is 143.0 secs Computing kpt #: 300 total cpu time spent up to now is 143.5 secs Computing kpt #: 301 total cpu time spent up to now is 143.9 secs Computing kpt #: 302 total cpu time spent up to now is 144.4 secs Computing kpt #: 303 total cpu time spent up to now is 144.8 secs Computing kpt #: 304 total cpu time spent up to now is 145.2 secs Computing kpt #: 305 total cpu time spent up to now is 145.6 secs Computing kpt #: 306 total cpu time spent up to now is 146.0 secs Computing kpt #: 307 total cpu time spent up to now is 146.4 secs Computing kpt #: 308 total cpu time spent up to now is 146.8 secs Computing kpt #: 309 total cpu time spent up to now is 147.2 secs Computing kpt #: 310 total cpu time spent up to now is 147.7 secs Computing kpt #: 311 total cpu time spent up to now is 148.1 secs Computing kpt #: 312 total cpu time spent up to now is 148.6 secs Computing kpt #: 313 total cpu time spent up to now is 149.0 secs Computing kpt #: 314 total cpu time spent up to now is 149.4 secs Computing kpt #: 315 total cpu time spent up to now is 149.8 secs Computing kpt #: 316 total cpu time spent up to now is 150.2 secs Computing kpt #: 317 total cpu time spent up to now is 150.7 secs Computing kpt #: 318 total cpu time spent up to now is 151.2 secs Computing kpt #: 319 total cpu time spent up to now is 151.7 secs Computing kpt #: 320 total cpu time spent up to now is 152.1 secs Computing kpt #: 321 total cpu time spent up to now is 152.6 secs Computing kpt #: 322 total cpu time spent up to now is 153.0 secs Computing kpt #: 323 total cpu time spent up to now is 153.6 secs Computing kpt #: 324 total cpu time spent up to now is 154.1 secs Computing kpt #: 325 total cpu time spent up to now is 154.6 secs Computing kpt #: 326 total cpu time spent up to now is 155.0 secs Computing kpt #: 327 total cpu time spent up to now is 155.6 secs Computing kpt #: 328 total cpu time spent up to now is 156.0 secs Computing kpt #: 329 total cpu time spent up to now is 156.5 secs Computing kpt #: 330 total cpu time spent up to now is 157.0 secs Computing kpt #: 331 total cpu time spent up to now is 157.5 secs Computing kpt #: 332 total cpu time spent up to now is 158.0 secs Computing kpt #: 333 total cpu time spent up to now is 158.5 secs Computing kpt #: 334 total cpu time spent up to now is 159.0 secs Computing kpt #: 335 total cpu time spent up to now is 159.5 secs Computing kpt #: 336 total cpu time spent up to now is 160.0 secs Computing kpt #: 337 total cpu time spent up to now is 160.5 secs Computing kpt #: 338 total cpu time spent up to now is 161.0 secs Computing kpt #: 339 total cpu time spent up to now is 161.5 secs Computing kpt #: 340 total cpu time spent up to now is 162.1 secs Computing kpt #: 341 total cpu time spent up to now is 162.6 secs Computing kpt #: 342 total cpu time spent up to now is 163.1 secs Computing kpt #: 343 total cpu time spent up to now is 163.7 secs Computing kpt #: 344 total cpu time spent up to now is 164.2 secs Computing kpt #: 345 total cpu time spent up to now is 164.7 secs Computing kpt #: 346 total cpu time spent up to now is 165.3 secs Computing kpt #: 347 total cpu time spent up to now is 165.8 secs Computing kpt #: 348 total cpu time spent up to now is 166.4 secs Computing kpt #: 349 total cpu time spent up to now is 166.9 secs Computing kpt #: 350 total cpu time spent up to now is 167.5 secs Computing kpt #: 351 total cpu time spent up to now is 167.9 secs Computing kpt #: 352 total cpu time spent up to now is 168.5 secs Computing kpt #: 353 total cpu time spent up to now is 169.0 secs Computing kpt #: 354 total cpu time spent up to now is 169.5 secs Computing kpt #: 355 total cpu time spent up to now is 170.0 secs Computing kpt #: 356 total cpu time spent up to now is 170.5 secs Computing kpt #: 357 total cpu time spent up to now is 171.0 secs Computing kpt #: 358 total cpu time spent up to now is 171.5 secs Computing kpt #: 359 total cpu time spent up to now is 171.9 secs Computing kpt #: 360 total cpu time spent up to now is 172.4 secs Computing kpt #: 361 total cpu time spent up to now is 172.8 secs Computing kpt #: 362 total cpu time spent up to now is 173.3 secs Computing kpt #: 363 total cpu time spent up to now is 173.7 secs Computing kpt #: 364 total cpu time spent up to now is 174.2 secs Computing kpt #: 365 total cpu time spent up to now is 174.6 secs Computing kpt #: 366 total cpu time spent up to now is 175.1 secs Computing kpt #: 367 total cpu time spent up to now is 175.6 secs Computing kpt #: 368 total cpu time spent up to now is 176.0 secs Computing kpt #: 369 total cpu time spent up to now is 176.4 secs Computing kpt #: 370 total cpu time spent up to now is 176.9 secs Computing kpt #: 371 total cpu time spent up to now is 177.4 secs Computing kpt #: 372 total cpu time spent up to now is 177.8 secs Computing kpt #: 373 total cpu time spent up to now is 178.3 secs Computing kpt #: 374 total cpu time spent up to now is 178.8 secs Computing kpt #: 375 total cpu time spent up to now is 179.2 secs Computing kpt #: 376 total cpu time spent up to now is 179.7 secs Computing kpt #: 377 total cpu time spent up to now is 180.2 secs Computing kpt #: 378 total cpu time spent up to now is 180.7 secs Computing kpt #: 379 total cpu time spent up to now is 181.1 secs Computing kpt #: 380 total cpu time spent up to now is 181.6 secs Computing kpt #: 381 total cpu time spent up to now is 182.1 secs Computing kpt #: 382 total cpu time spent up to now is 182.6 secs Computing kpt #: 383 total cpu time spent up to now is 183.1 secs Computing kpt #: 384 total cpu time spent up to now is 183.6 secs Computing kpt #: 385 total cpu time spent up to now is 184.1 secs Computing kpt #: 386 total cpu time spent up to now is 184.5 secs Computing kpt #: 387 total cpu time spent up to now is 185.0 secs Computing kpt #: 388 total cpu time spent up to now is 185.5 secs Computing kpt #: 389 total cpu time spent up to now is 186.0 secs Computing kpt #: 390 total cpu time spent up to now is 186.4 secs Computing kpt #: 391 total cpu time spent up to now is 186.9 secs Computing kpt #: 392 total cpu time spent up to now is 187.4 secs Computing kpt #: 393 total cpu time spent up to now is 187.9 secs Computing kpt #: 394 total cpu time spent up to now is 188.4 secs Computing kpt #: 395 total cpu time spent up to now is 188.9 secs Computing kpt #: 396 total cpu time spent up to now is 189.4 secs Computing kpt #: 397 total cpu time spent up to now is 189.9 secs Computing kpt #: 398 total cpu time spent up to now is 190.3 secs Computing kpt #: 399 total cpu time spent up to now is 190.8 secs Computing kpt #: 400 total cpu time spent up to now is 191.3 secs ethr = 3.13E-08, avg # of iterations = 22.0 total cpu time spent up to now is 191.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3575 PWs) bands (ev): -19.5244 -19.5244 -18.6174 -18.6174 -17.6926 -17.6926 -17.1023 -17.1023 -8.2909 -8.2909 -6.6891 -6.6891 -6.4910 -6.4910 -6.2279 -6.2279 -5.6494 -5.6494 -4.4860 -4.4860 -3.3309 -3.3309 -2.4187 -2.4187 -2.2388 -2.2388 -2.1721 -2.1721 -1.9880 -1.9880 -1.7801 -1.7801 2.3362 2.3362 5.9318 5.9318 7.7499 7.7499 8.5552 8.5552 k = 0.0071 0.0123-0.0000 ( 3571 PWs) bands (ev): -19.5238 -19.5238 -18.6170 -18.6170 -17.6933 -17.6933 -17.1030 -17.1030 -8.2898 -8.2897 -6.6902 -6.6898 -6.4912 -6.4911 -6.2304 -6.2297 -5.6491 -5.6477 -4.4842 -4.4839 -3.3303 -3.3302 -2.4181 -2.4180 -2.2416 -2.2415 -2.1720 -2.1717 -1.9875 -1.9870 -1.7808 -1.7807 2.3401 2.3401 5.9314 5.9315 7.7493 7.7493 8.5538 8.5541 k = 0.0142 0.0246-0.0000 ( 3575 PWs) bands (ev): -19.5221 -19.5221 -18.6158 -18.6158 -17.6954 -17.6954 -17.1052 -17.1052 -8.2862 -8.2861 -6.6932 -6.6924 -6.4915 -6.4914 -6.2371 -6.2358 -5.6467 -5.6439 -4.4784 -4.4777 -3.3283 -3.3282 -2.4164 -2.4162 -2.2498 -2.2496 -2.1713 -2.1707 -1.9855 -1.9845 -1.7828 -1.7827 2.3518 2.3518 5.9303 5.9305 7.7474 7.7474 8.5496 8.5503 k = 0.0213 0.0369-0.0000 ( 3583 PWs) bands (ev): -19.5191 -19.5191 -18.6139 -18.6139 -17.6989 -17.6989 -17.1087 -17.1087 -8.2804 -8.2802 -6.6981 -6.6970 -6.4920 -6.4919 -6.2477 -6.2458 -5.6425 -5.6383 -4.4686 -4.4676 -3.3251 -3.3249 -2.4135 -2.4132 -2.2633 -2.2629 -2.1702 -2.1692 -1.9822 -1.9808 -1.7861 -1.7860 2.3711 2.3711 5.9285 5.9289 7.7442 7.7442 8.5424 8.5434 k = 0.0284 0.0492-0.0000 ( 3581 PWs) bands (ev): -19.5149 -19.5149 -18.6112 -18.6112 -17.7039 -17.7039 -17.1136 -17.1136 -8.2722 -8.2719 -6.7051 -6.7035 -6.4925 -6.4924 -6.2617 -6.2594 -5.6366 -5.6313 -4.4551 -4.4536 -3.3207 -3.3204 -2.4094 -2.4090 -2.2814 -2.2809 -2.1685 -2.1672 -1.9778 -1.9759 -1.7906 -1.7905 2.3980 2.3980 5.9262 5.9266 7.7394 7.7394 8.5321 8.5334 k = 0.0354 0.0614-0.0000 ( 3589 PWs) bands (ev): -19.5096 -19.5096 -18.6078 -18.6077 -17.7102 -17.7102 -17.1199 -17.1199 -8.2617 -8.2613 -6.7141 -6.7122 -6.4930 -6.4928 -6.2787 -6.2761 -5.6295 -5.6232 -4.4378 -4.4360 -3.3154 -3.3149 -2.4043 -2.4038 -2.3039 -2.3031 -2.1663 -2.1647 -1.9725 -1.9702 -1.7964 -1.7962 2.4321 2.4321 5.9232 5.9238 7.7329 7.7330 8.5180 8.5195 k = 0.0425 0.0737-0.0000 ( 3585 PWs) bands (ev): -19.5031 -19.5031 -18.6035 -18.6035 -17.7180 -17.7180 -17.1275 -17.1275 -8.2490 -8.2485 -6.7254 -6.7231 -6.4932 -6.4930 -6.2979 -6.2952 -5.6215 -5.6143 -4.4171 -4.4149 -3.3091 -3.3085 -2.3983 -2.3976 -2.3300 -2.3288 -2.1637 -2.1618 -1.9664 -1.9638 -1.8033 -1.8031 2.4732 2.4732 5.9198 5.9204 7.7244 7.7245 8.4999 8.5015 k = 0.0496 0.0860-0.0000 ( 3591 PWs) bands (ev): -19.4955 -19.4955 -18.5986 -18.5986 -17.7271 -17.7271 -17.1364 -17.1364 -8.2341 -8.2336 -6.7391 -6.7363 -6.4930 -6.4928 -6.3190 -6.3162 -5.6130 -5.6049 -4.3931 -4.3906 -3.3024 -3.3016 -2.3925 -2.3915 -2.3583 -2.3566 -2.1607 -2.1585 -1.9598 -1.9569 -1.8113 -1.8110 2.5210 2.5210 5.9160 5.9167 7.7134 7.7135 8.4771 8.4789 k = 0.0567 0.0983-0.0000 ( 3595 PWs) bands (ev): -19.4867 -19.4867 -18.5929 -18.5929 -17.7377 -17.7377 -17.1465 -17.1465 -8.2171 -8.2166 -6.7553 -6.7520 -6.4922 -6.4920 -6.3412 -6.3385 -5.6042 -5.5955 -4.3660 -4.3631 -3.2953 -3.2943 -2.3985 -2.3984 -2.3752 -2.3743 -2.1574 -2.1548 -1.9527 -1.9495 -1.8202 -1.8198 2.5751 2.5751 5.9118 5.9126 7.6996 7.6998 8.4496 8.4514 k = 0.0638 0.1106-0.0000 ( 3585 PWs) bands (ev): -19.4768 -19.4768 -18.5864 -18.5864 -17.7495 -17.7495 -17.1579 -17.1579 -8.1982 -8.1975 -6.7741 -6.7704 -6.4905 -6.4904 -6.3640 -6.3615 -5.5954 -5.5861 -4.3361 -4.3329 -3.2884 -3.2870 -2.4300 -2.4285 -2.3687 -2.3687 -2.1538 -2.1509 -1.9454 -1.9420 -1.8298 -1.8293 2.6353 2.6353 5.9074 5.9083 7.6828 7.6830 8.4170 8.4187 k = 0.0709 0.1229-0.0000 ( 3585 PWs) bands (ev): -19.4657 -19.4657 -18.5792 -18.5792 -17.7628 -17.7628 -17.1703 -17.1703 -8.1773 -8.1766 -6.7956 -6.7915 -6.4879 -6.4878 -6.3871 -6.3848 -5.5868 -5.5771 -4.3037 -4.3001 -3.2820 -3.2803 -2.4655 -2.4634 -2.3589 -2.3586 -2.1500 -2.1469 -1.9379 -1.9343 -1.8401 -1.8394 2.7010 2.7010 5.9029 5.9038 7.6624 7.6627 8.3793 8.3810 k = 0.0780 0.1352-0.0000 ( 3589 PWs) bands (ev): -19.4535 -19.4535 -18.5713 -18.5713 -17.7773 -17.7773 -17.1839 -17.1839 -8.1547 -8.1539 -6.8199 -6.8153 -6.4841 -6.4840 -6.4101 -6.4080 -5.5787 -5.5685 -4.2691 -4.2651 -3.2767 -3.2746 -2.5021 -2.4994 -2.3476 -2.3472 -2.1462 -2.1429 -1.9304 -1.9266 -1.8507 -1.8499 2.7719 2.7719 5.8982 5.8992 7.6381 7.6385 8.3367 8.3384 k = 0.0851 0.1475-0.0000 ( 3589 PWs) bands (ev): -19.4403 -19.4403 -18.5628 -18.5628 -17.7932 -17.7932 -17.1984 -17.1984 -8.1303 -8.1295 -6.8469 -6.8420 -6.4789 -6.4788 -6.4326 -6.4308 -5.5710 -5.5605 -4.2325 -4.2280 -3.2732 -3.2707 -2.5385 -2.5352 -2.3353 -2.3350 -2.1426 -2.1391 -1.9230 -1.9191 -1.8614 -1.8603 2.8477 2.8477 5.8936 5.8946 7.6096 7.6102 8.2897 8.2912 k = 0.0922 0.1598-0.0000 ( 3597 PWs) bands (ev): -19.4259 -19.4259 -18.5535 -18.5535 -17.8104 -17.8104 -17.2139 -17.2139 -8.1044 -8.1035 -6.8765 -6.8713 -6.4726 -6.4724 -6.4540 -6.4526 -5.5638 -5.5531 -4.1942 -4.1893 -3.2723 -3.2692 -2.5738 -2.5699 -2.3223 -2.3221 -2.1393 -2.1358 -1.9159 -1.9119 -1.8719 -1.8704 2.9279 2.9279 5.8889 5.8900 7.5769 7.5776 8.2386 8.2401 k = 0.0993 0.1720-0.0000 ( 3597 PWs) bands (ev): -19.4106 -19.4106 -18.5436 -18.5436 -17.8288 -17.8288 -17.2303 -17.2303 -8.0771 -8.0760 -6.9086 -6.9031 -6.4779 -6.4767 -6.4614 -6.4613 -5.5574 -5.5464 -4.1545 -4.1492 -3.2747 -3.2711 -2.6067 -2.6022 -2.3086 -2.3086 -2.1365 -2.1332 -1.9092 -1.9054 -1.8817 -1.8796 3.0122 3.0122 5.8842 5.8853 7.5400 7.5408 8.1843 8.1857 k = 0.1063 0.1843-0.0000 ( 3597 PWs) bands (ev): -19.3941 -19.3941 -18.5330 -18.5330 -17.8485 -17.8484 -17.2475 -17.2475 -8.0483 -8.0472 -6.9430 -6.9373 -6.4980 -6.4969 -6.4513 -6.4513 -5.5515 -5.5404 -4.1137 -4.1080 -3.2814 -3.2774 -2.6362 -2.6310 -2.2947 -2.2944 -2.1345 -2.1317 -1.9031 -1.9002 -1.8905 -1.8867 3.1002 3.1003 5.8796 5.8807 7.4990 7.4998 8.1275 8.1288 k = 0.1134 0.1966-0.0000 ( 3597 PWs) bands (ev): -19.3767 -19.3767 -18.5217 -18.5217 -17.8693 -17.8693 -17.2654 -17.2654 -8.0184 -8.0172 -6.9794 -6.9735 -6.5182 -6.5173 -6.4384 -6.4383 -5.5464 -5.5351 -4.0721 -4.0659 -3.2933 -3.2888 -2.6612 -2.6555 -2.2808 -2.2798 -2.1336 -2.1315 -1.8991 -1.8988 -1.8966 -1.8889 3.1917 3.1918 5.8750 5.8761 7.4540 7.4550 8.0691 8.0704 k = 0.1205 0.2089-0.0000 ( 3595 PWs) bands (ev): -19.3583 -19.3583 -18.5099 -18.5099 -17.8913 -17.8913 -17.2841 -17.2841 -7.9873 -7.9860 -7.0175 -7.0115 -6.5380 -6.5374 -6.4230 -6.4230 -5.5419 -5.5306 -4.0300 -4.0233 -3.3110 -3.3061 -2.6808 -2.6746 -2.2670 -2.2652 -2.1340 -2.1331 -1.9031 -1.9017 -1.8930 -1.8861 3.2864 3.2864 5.8703 5.8714 7.4056 7.4067 8.0100 8.0112 k = 0.1276 0.2212-0.0000 ( 3597 PWs) bands (ev): -19.3389 -19.3389 -18.4974 -18.4974 -17.9143 -17.9143 -17.3033 -17.3033 -7.9552 -7.9539 -7.0571 -7.0510 -6.5576 -6.5570 -6.4050 -6.4050 -5.5381 -5.5267 -3.9876 -3.9804 -3.3349 -3.3297 -2.6946 -2.6880 -2.2540 -2.2507 -2.1365 -2.1354 -1.9057 -1.9030 -1.8896 -1.8829 3.3838 3.3838 5.8655 5.8666 7.3541 7.3552 7.9511 7.9521 k = 0.1347 0.2335-0.0000 ( 3591 PWs) bands (ev): -19.3186 -19.3186 -18.4844 -18.4844 -17.9384 -17.9384 -17.3231 -17.3231 -7.9222 -7.9208 -7.0980 -7.0918 -6.5769 -6.5765 -6.3845 -6.3845 -5.5349 -5.5234 -3.9452 -3.9375 -3.3648 -3.3595 -2.7024 -2.6956 -2.2424 -2.2368 -2.1414 -2.1376 -1.9057 -1.9019 -1.8874 -1.8806 3.4837 3.4838 5.8606 5.8615 7.2999 7.3011 7.8932 7.8942 k = 0.1418 0.2458-0.0000 ( 3587 PWs) bands (ev): -19.2975 -19.2975 -18.4708 -18.4708 -17.9636 -17.9635 -17.3434 -17.3434 -7.8884 -7.8869 -7.1398 -7.1336 -6.5961 -6.5957 -6.3613 -6.3613 -5.5323 -5.5207 -3.9031 -3.8949 -3.4003 -3.3950 -2.7047 -2.6978 -2.2333 -2.2245 -2.1470 -2.1394 -1.9028 -1.8983 -1.8865 -1.8793 3.5860 3.5861 5.8553 5.8562 7.2436 7.2448 7.8371 7.8381 k = 0.1489 0.2581-0.0000 ( 3587 PWs) bands (ev): -19.2754 -19.2754 -18.4566 -18.4566 -17.9896 -17.9896 -17.3642 -17.3642 -7.8538 -7.8522 -7.1823 -7.1762 -6.6153 -6.6149 -6.3353 -6.3353 -5.5302 -5.5186 -3.8616 -3.8528 -3.4407 -3.4355 -2.7020 -2.6950 -2.2281 -2.2154 -2.1516 -2.1394 -1.8974 -1.8930 -1.8868 -1.8784 3.6903 3.6904 5.8495 5.8503 7.1855 7.1868 7.7837 7.7846 k = 0.1560 0.2703-0.0000 ( 3583 PWs) bands (ev): -19.2525 -19.2525 -18.4420 -18.4419 -18.0165 -18.0165 -17.3853 -17.3853 -7.8185 -7.8168 -7.2254 -7.2194 -6.6344 -6.6341 -6.3066 -6.3065 -5.5286 -5.5171 -3.8209 -3.8115 -3.4853 -3.4802 -2.6950 -2.6882 -2.2279 -2.2120 -2.1522 -2.1363 -1.8925 -1.8894 -1.8859 -1.8750 3.7963 3.7965 5.8433 5.8439 7.1261 7.1275 7.7336 7.7344 k = 0.1631 0.2826-0.0000 ( 3591 PWs) bands (ev): -19.2289 -19.2289 -18.4268 -18.4268 -18.0442 -18.0442 -17.4068 -17.4068 -7.7826 -7.7808 -7.2690 -7.2630 -6.6536 -6.6533 -6.2750 -6.2750 -5.5275 -5.5160 -3.7813 -3.7714 -3.5333 -3.5284 -2.6846 -2.6778 -2.2326 -2.2159 -2.1471 -2.1299 -1.8952 -1.8912 -1.8768 -1.8658 3.9040 3.9041 5.8364 5.8369 7.0657 7.0671 7.6873 7.6881 k = 0.1701 0.2949-0.0000 ( 3599 PWs) bands (ev): -19.2045 -19.2045 -18.4112 -18.4112 -18.0727 -18.0727 -17.4286 -17.4286 -7.7460 -7.7442 -7.3127 -7.3068 -6.6729 -6.6726 -6.2407 -6.2406 -5.5269 -5.5153 -3.7430 -3.7325 -3.5838 -3.5792 -2.6715 -2.6648 -2.2410 -2.2250 -2.1379 -2.1210 -1.9011 -1.8967 -1.8643 -1.8530 4.0130 4.0132 5.8287 5.8290 7.0048 7.0063 7.6454 7.6461 k = 0.1772 0.3072-0.0000 ( 3591 PWs) bands (ev): -19.1794 -19.1794 -18.3951 -18.3951 -18.1018 -18.1018 -17.4505 -17.4505 -7.7089 -7.7070 -7.3565 -7.3507 -6.6922 -6.6919 -6.2037 -6.2036 -5.5265 -5.5150 -3.7065 -3.6952 -3.6362 -3.6320 -2.6563 -2.6497 -2.2517 -2.2367 -2.1268 -2.1108 -1.9092 -1.9046 -1.8500 -1.8382 4.1232 4.1234 5.8203 5.8204 6.9437 6.9452 7.6082 7.6088 k = 0.1843 0.3195-0.0000 ( 3587 PWs) bands (ev): -19.1536 -19.1536 -18.3785 -18.3785 -18.1315 -18.1315 -17.4727 -17.4727 -7.6712 -7.6693 -7.4003 -7.3946 -6.7115 -6.7113 -6.1639 -6.1638 -5.5265 -5.5150 -3.6917 -3.6864 -3.6703 -3.6597 -2.6395 -2.6330 -2.2635 -2.2495 -2.1152 -2.1001 -1.9194 -1.9147 -1.8342 -1.8218 4.2344 4.2347 5.8111 5.8112 6.8828 6.8843 7.5759 7.5764 k = 0.1914 0.3318-0.0000 ( 3595 PWs) bands (ev): -19.1272 -19.1272 -18.3616 -18.3616 -18.1618 -18.1618 -17.4951 -17.4951 -7.6329 -7.6310 -7.4440 -7.4384 -6.7309 -6.7306 -6.1216 -6.1215 -5.5268 -5.5154 -3.7461 -3.7418 -3.6384 -3.6264 -2.6217 -2.6153 -2.2756 -2.2625 -2.1036 -2.0894 -1.9315 -1.9269 -1.8173 -1.8044 4.3465 4.3468 5.8010 5.8013 6.8221 6.8237 7.5485 7.5490 k = 0.1985 0.3441-0.0000 ( 3587 PWs) bands (ev): -19.1002 -19.1002 -18.3443 -18.3443 -18.1925 -18.1925 -17.5175 -17.5175 -7.5941 -7.5921 -7.4874 -7.4819 -6.7503 -6.7500 -6.0768 -6.0767 -5.5274 -5.5160 -3.8019 -3.7980 -3.6080 -3.5954 -2.6035 -2.5970 -2.2874 -2.2751 -2.0923 -2.0789 -1.9455 -1.9410 -1.7995 -1.7862 4.4592 4.4596 5.7903 5.7909 6.7622 6.7638 7.5261 7.5265 k = 0.2056 0.3564-0.0000 ( 3587 PWs) bands (ev): -19.0728 -19.0728 -18.3267 -18.3267 -18.2235 -18.2235 -17.5400 -17.5400 -7.5547 -7.5526 -7.5306 -7.5252 -6.7695 -6.7692 -6.0296 -6.0296 -5.5281 -5.5167 -3.8583 -3.8546 -3.5801 -3.5670 -2.5852 -2.5787 -2.2985 -2.2868 -2.0816 -2.0690 -1.9612 -1.9569 -1.7811 -1.7674 4.5725 4.5729 5.7792 5.7800 6.7029 6.7046 7.5084 7.5087 k = 0.2127 0.3687-0.0000 ( 3583 PWs) bands (ev): -19.0448 -19.0448 -18.3087 -18.3087 -18.2549 -18.2549 -17.5626 -17.5626 -7.5737 -7.5684 -7.5145 -7.5124 -6.7886 -6.7882 -5.9802 -5.9802 -5.5290 -5.5177 -3.9149 -3.9114 -3.5549 -3.5413 -2.5675 -2.5610 -2.3084 -2.2973 -2.0715 -2.0596 -1.9783 -1.9743 -1.7623 -1.7483 4.6861 4.6865 5.7679 5.7689 6.6447 6.6463 7.4951 7.4953 k = 0.2198 0.3809-0.0000 ( 3587 PWs) bands (ev): -19.0165 -19.0165 -18.2904 -18.2904 -18.2865 -18.2865 -17.5851 -17.5851 -7.6162 -7.6111 -7.4738 -7.4716 -6.8074 -6.8070 -5.9288 -5.9288 -5.5300 -5.5188 -3.9716 -3.9683 -3.5326 -3.5185 -2.5511 -2.5444 -2.3169 -2.3064 -2.0620 -2.0511 -1.9962 -1.9927 -1.7435 -1.7292 4.7999 4.8004 5.7566 5.7579 6.5874 6.5891 7.4855 7.4856 k = 0.2269 0.3932-0.0000 ( 3591 PWs) bands (ev): -18.9878 -18.9878 -18.3183 -18.3182 -18.2719 -18.2719 -17.6076 -17.6076 -7.6584 -7.6534 -7.4323 -7.4301 -6.8258 -6.8254 -5.8755 -5.8754 -5.5311 -5.5199 -4.0281 -4.0250 -3.5134 -3.4989 -2.5366 -2.5298 -2.3238 -2.3138 -2.0533 -2.0435 -2.0142 -2.0115 -1.7247 -1.7102 4.9138 4.9144 5.7456 5.7472 6.5313 6.5331 7.4792 7.4792 k = 0.2340 0.4055-0.0000 ( 3585 PWs) bands (ev): -18.9587 -18.9587 -18.3501 -18.3501 -18.2530 -18.2530 -17.6300 -17.6300 -7.7002 -7.6953 -7.3902 -7.3879 -6.8438 -6.8434 -5.8205 -5.8204 -5.5322 -5.5211 -4.0844 -4.0815 -3.4974 -3.4825 -2.5251 -2.5181 -2.3287 -2.3194 -2.0452 -2.0396 -2.0297 -2.0287 -1.7062 -1.6915 5.0277 5.0282 5.7354 5.7372 6.4765 6.4783 7.4753 7.4753 k = 0.2410 0.4178-0.0000 ( 3577 PWs) bands (ev): -18.9295 -18.9295 -18.3819 -18.3819 -18.2340 -18.2340 -17.6523 -17.6523 -7.7415 -7.7367 -7.3472 -7.3449 -6.8612 -6.8607 -5.7640 -5.7638 -5.5333 -5.5223 -4.1404 -4.1376 -3.4845 -3.4694 -2.5178 -2.5105 -2.3317 -2.3231 -2.0508 -2.0466 -2.0377 -2.0273 -1.6882 -1.6734 5.1413 5.1419 5.7262 5.7282 6.4230 6.4248 7.4731 7.4732 k = 0.2481 0.4301-0.0000 ( 3573 PWs) bands (ev): -18.9001 -18.9001 -18.4136 -18.4136 -18.2148 -18.2148 -17.6745 -17.6745 -7.7824 -7.7778 -7.3035 -7.3011 -6.8779 -6.8774 -5.7061 -5.7059 -5.5344 -5.5235 -4.1960 -4.1933 -3.4749 -3.4596 -2.5159 -2.5083 -2.3327 -2.3248 -2.0637 -2.0605 -2.0311 -2.0220 -1.6709 -1.6559 5.2544 5.2551 5.7183 5.7205 6.3707 6.3725 7.4717 7.4719 k = 0.2552 0.4424-0.0000 ( 3573 PWs) bands (ev): -18.8706 -18.8705 -18.4453 -18.4453 -18.1954 -18.1954 -17.6965 -17.6965 -7.8228 -7.8183 -7.2589 -7.2565 -6.8938 -6.8933 -5.6472 -5.6468 -5.5355 -5.5247 -4.2511 -4.2485 -3.4685 -3.4531 -2.5206 -2.5128 -2.3316 -2.3247 -2.0730 -2.0704 -2.0252 -2.0171 -1.6543 -1.6393 5.3669 5.3676 5.7122 5.7145 6.3196 6.3214 7.4704 7.4707 k = 0.2623 0.4547-0.0000 ( 3573 PWs) bands (ev): -18.8410 -18.8410 -18.4767 -18.4767 -18.1758 -18.1758 -17.7182 -17.7182 -7.8628 -7.8585 -7.2135 -7.2111 -6.9087 -6.9082 -5.5873 -5.5868 -5.5364 -5.5257 -4.3056 -4.3032 -3.4652 -3.4497 -2.5330 -2.5250 -2.3287 -2.3227 -2.0773 -2.0752 -2.0198 -2.0127 -1.6387 -1.6236 5.4782 5.4789 5.7084 5.7109 6.2696 6.2714 7.4685 7.4690 k = 0.2694 0.4670-0.0000 ( 3575 PWs) bands (ev): -18.8114 -18.8114 -18.5078 -18.5078 -18.1562 -18.1561 -17.7397 -17.7397 -7.9023 -7.8981 -7.1672 -7.1648 -6.9226 -6.9221 -5.5377 -5.5291 -5.5257 -5.5242 -4.3595 -4.3572 -3.4649 -3.4494 -2.5534 -2.5453 -2.3241 -2.3191 -2.0762 -2.0744 -2.0150 -2.0089 -1.6240 -1.6089 5.5867 5.5872 5.7089 5.7112 6.2206 6.2224 7.4655 7.4662 k = 0.2765 0.4793-0.0000 ( 3567 PWs) bands (ev): -18.7820 -18.7820 -18.5387 -18.5387 -18.1364 -18.1364 -17.7610 -17.7610 -7.9414 -7.9373 -7.1201 -7.1176 -6.9354 -6.9348 -5.5381 -5.5277 -5.4653 -5.4647 -4.4127 -4.4106 -3.4674 -3.4519 -2.5816 -2.5735 -2.3179 -2.3141 -2.0699 -2.0683 -2.0107 -2.0056 -1.6105 -1.5954 5.6745 5.6762 5.7317 5.7319 6.1725 6.1744 7.4613 7.4621 k = 0.2836 0.4915-0.0000 ( 3565 PWs) bands (ev): -18.7527 -18.7527 -18.5691 -18.5691 -18.1166 -18.1166 -17.7819 -17.7819 -7.9800 -7.9760 -7.0721 -7.0696 -6.9468 -6.9462 -5.5387 -5.5283 -5.4038 -5.4031 -4.4653 -4.4632 -3.4724 -3.4570 -2.6169 -2.6089 -2.3106 -2.3080 -2.0590 -2.0575 -2.0067 -2.0028 -1.5981 -1.5830 5.6956 5.6988 5.8207 5.8219 6.1252 6.1270 7.4556 7.4567 k = 0.2907 0.5038-0.0000 ( 3565 PWs) bands (ev): -18.7237 -18.7237 -18.5991 -18.5991 -18.0967 -18.0967 -17.8025 -17.8025 -8.0181 -8.0143 -7.0232 -7.0208 -6.9569 -6.9562 -5.5390 -5.5288 -5.3423 -5.3415 -4.5171 -4.5152 -3.4798 -3.4645 -2.6584 -2.6505 -2.3023 -2.3010 -2.0444 -2.0429 -2.0028 -2.0001 -1.5869 -1.5719 5.7025 5.7060 5.9261 5.9275 6.0784 6.0802 7.4488 7.4501 k = 0.2978 0.5161-0.0000 ( 3569 PWs) bands (ev): -18.6949 -18.6949 -18.6286 -18.6286 -18.0769 -18.0769 -17.8228 -17.8228 -8.0557 -8.0520 -6.9736 -6.9713 -6.9655 -6.9645 -5.5392 -5.5291 -5.2809 -5.2799 -4.5681 -4.5663 -3.4894 -3.4743 -2.7051 -2.6974 -2.2936 -2.2934 -2.0272 -2.0257 -1.9987 -1.9973 -1.5769 -1.5621 5.7100 5.7135 6.0281 6.0326 6.0347 6.0359 7.4412 7.4427 k = 0.3049 0.5284-0.0000 ( 3571 PWs) bands (ev): -18.6666 -18.6666 -18.6575 -18.6575 -18.0570 -18.0570 -17.8426 -17.8426 -8.0928 -8.0892 -6.9726 -6.9719 -6.9230 -6.9204 -5.5391 -5.5291 -5.2199 -5.2188 -4.6184 -4.6166 -3.5009 -3.4859 -2.7562 -2.7486 -2.2860 -2.2844 -2.0095 -2.0078 -1.9929 -1.9927 -1.5681 -1.5535 5.7194 5.7231 5.9853 5.9872 6.1374 6.1389 7.4332 7.4349 k = 0.3119 0.5407-0.0000 ( 3565 PWs) bands (ev): -18.6858 -18.6858 -18.6387 -18.6387 -18.0372 -18.0372 -17.8620 -17.8620 -8.1293 -8.1259 -6.9781 -6.9773 -6.8717 -6.8691 -5.5388 -5.5290 -5.1595 -5.1582 -4.6678 -4.6660 -3.5140 -3.4992 -2.8109 -2.8035 -2.2787 -2.2756 -1.9982 -1.9962 -1.9797 -1.9789 -1.5606 -1.5462 5.7311 5.7349 5.9391 5.9409 6.2409 6.2425 7.4253 7.4271 k = 0.3190 0.5530-0.0000 ( 3569 PWs) bands (ev): -18.7135 -18.7135 -18.6113 -18.6113 -18.0175 -18.0175 -17.8810 -17.8810 -8.1652 -8.1620 -6.9819 -6.9811 -6.8197 -6.8171 -5.5382 -5.5285 -5.0998 -5.0984 -4.7162 -4.7145 -3.5286 -3.5139 -2.8685 -2.8613 -2.2719 -2.2673 -1.9933 -1.9902 -1.9588 -1.9577 -1.5544 -1.5401 5.7451 5.7490 5.8926 5.8943 6.3426 6.3443 7.4179 7.4199 k = 0.3261 0.5653-0.0000 ( 3567 PWs) bands (ev): -18.7405 -18.7404 -18.5845 -18.5845 -17.9980 -17.9980 -17.8995 -17.8995 -8.2006 -8.1975 -6.9839 -6.9831 -6.7670 -6.7644 -5.5373 -5.5279 -5.0413 -5.0397 -4.7638 -4.7621 -3.5445 -3.5299 -2.9286 -2.9215 -2.2660 -2.2600 -1.9890 -1.9847 -1.9357 -1.9345 -1.5493 -1.5353 5.7615 5.7655 5.8457 5.8475 6.4421 6.4440 7.4114 7.4135 k = 0.3332 0.5776-0.0000 ( 3563 PWs) bands (ev): -18.7667 -18.7667 -18.5583 -18.5583 -17.9786 -17.9786 -17.9175 -17.9175 -8.2353 -8.2323 -6.9843 -6.9834 -6.7137 -6.7111 -5.5363 -5.5270 -4.9840 -4.9822 -4.8103 -4.8086 -3.5614 -3.5470 -2.9906 -2.9837 -2.2611 -2.2539 -1.9841 -1.9786 -1.9118 -1.9106 -1.5453 -1.5317 5.7798 5.7842 5.7986 5.8007 6.5393 6.5412 7.4061 7.4084 k = 0.3332 0.5776-0.0000 ( 3563 PWs) bands (ev): -18.7667 -18.7667 -18.5583 -18.5583 -17.9786 -17.9786 -17.9175 -17.9175 -8.2353 -8.2323 -6.9843 -6.9834 -6.7137 -6.7111 -5.5363 -5.5270 -4.9840 -4.9822 -4.8103 -4.8086 -3.5614 -3.5470 -2.9906 -2.9837 -2.2611 -2.2539 -1.9841 -1.9786 -1.9118 -1.9106 -1.5453 -1.5317 5.7798 5.7842 5.7986 5.8007 6.5393 6.5412 7.4061 7.4084 k = 0.3193 0.5776-0.0000 ( 3563 PWs) bands (ev): -18.7555 -18.7555 -18.5695 -18.5695 -17.9904 -17.9904 -17.9062 -17.9062 -8.2180 -8.2150 -6.9846 -6.9837 -6.7396 -6.7370 -5.5376 -5.5283 -5.0161 -5.0143 -4.7835 -4.7819 -3.5517 -3.5373 -2.9605 -2.9535 -2.2632 -2.2565 -1.9869 -1.9819 -1.9237 -1.9224 -1.5473 -1.5335 5.7603 5.7643 5.8284 5.8312 6.4948 6.4967 7.4049 7.4067 k = 0.3054 0.5776-0.0000 ( 3566 PWs) bands (ev): -18.7479 -18.7479 -18.5774 -18.5774 -18.0044 -18.0044 -17.8923 -17.8923 -8.1998 -8.1968 -6.9853 -6.9845 -6.7644 -6.7618 -5.5406 -5.5314 -5.0533 -5.0514 -4.7522 -4.7507 -3.5397 -3.5253 -2.9316 -2.9245 -2.2653 -2.2591 -1.9901 -1.9854 -1.9360 -1.9343 -1.5499 -1.5360 5.7382 5.7421 5.8541 5.8574 6.4560 6.4578 7.4012 7.4027 k = 0.2916 0.5776-0.0000 ( 3561 PWs) bands (ev): -18.7442 -18.7442 -18.5814 -18.5814 -18.0186 -18.0186 -17.8777 -17.8777 -8.1807 -8.1776 -6.9872 -6.9863 -6.7875 -6.7849 -5.5451 -5.5361 -5.0924 -5.0903 -4.7194 -4.7181 -3.5253 -3.5110 -2.9041 -2.8969 -2.2672 -2.2617 -1.9937 -1.9890 -1.9483 -1.9461 -1.5531 -1.5392 5.7163 5.7201 5.8724 5.8760 6.4239 6.4257 7.3971 7.3985 k = 0.2777 0.5776-0.0000 ( 3556 PWs) bands (ev): -18.7446 -18.7446 -18.5816 -18.5816 -18.0325 -18.0325 -17.8630 -17.8630 -8.1607 -8.1575 -6.9913 -6.9904 -6.8076 -6.8052 -5.5512 -5.5424 -5.1321 -5.1297 -4.6865 -4.6853 -3.5087 -3.4946 -2.8780 -2.8709 -2.2692 -2.2642 -1.9980 -1.9929 -1.9607 -1.9575 -1.5569 -1.5429 5.6945 5.6982 5.8826 5.8864 6.3994 6.4012 7.3929 7.3942 k = 0.2638 0.5776-0.0000 ( 3562 PWs) bands (ev): -18.7486 -18.7486 -18.5785 -18.5785 -18.0456 -18.0456 -17.8486 -17.8486 -8.1398 -8.1365 -6.9990 -6.9978 -6.8235 -6.8213 -5.5589 -5.5505 -5.1717 -5.1689 -4.6541 -4.6528 -3.4899 -3.4761 -2.8536 -2.8464 -2.2711 -2.2666 -2.0030 -1.9970 -1.9729 -1.9684 -1.5612 -1.5473 5.6726 5.6761 5.8850 5.8889 6.3830 6.3848 7.3888 7.3900 k = 0.2499 0.5776-0.0000 ( 3570 PWs) bands (ev): -18.7553 -18.7553 -18.5729 -18.5729 -18.0579 -18.0579 -17.8346 -17.8346 -8.1180 -8.1146 -7.0114 -7.0099 -6.8341 -6.8321 -5.5681 -5.5602 -5.2107 -5.2076 -4.6224 -4.6212 -3.4692 -3.4556 -2.8309 -2.8236 -2.2730 -2.2691 -2.0087 -2.0013 -1.9848 -1.9787 -1.5660 -1.5522 5.6503 5.6536 5.8804 5.8844 6.3743 6.3761 7.3850 7.3862 k = 0.2360 0.5776-0.0000 ( 3572 PWs) bands (ev): -18.7638 -18.7638 -18.5658 -18.5658 -18.0692 -18.0692 -17.8210 -17.8210 -8.0952 -8.0919 -7.0289 -7.0271 -6.8390 -6.8371 -5.5789 -5.5717 -5.2487 -5.2453 -4.5918 -4.5905 -3.4466 -3.4334 -2.8100 -2.8027 -2.2750 -2.2716 -2.0150 -2.0059 -1.9961 -1.9881 -1.5713 -1.5575 5.6274 5.6305 5.8705 5.8743 6.3723 6.3741 7.3816 7.3829 k = 0.2221 0.5776-0.0000 ( 3578 PWs) bands (ev): -18.7734 -18.7734 -18.5579 -18.5579 -18.0795 -18.0795 -17.8081 -17.8081 -8.0716 -8.0682 -7.0510 -7.0488 -6.8386 -6.8369 -5.5914 -5.5849 -5.2854 -5.2815 -4.5623 -4.5610 -3.4224 -3.4095 -2.7910 -2.7836 -2.2773 -2.2744 -2.0215 -2.0107 -2.0066 -1.9967 -1.5769 -1.5633 5.6039 5.6067 5.8568 5.8605 6.3757 6.3775 7.3788 7.3801 k = 0.2083 0.5776-0.0000 ( 3582 PWs) bands (ev): -18.7835 -18.7835 -18.5499 -18.5499 -18.0888 -18.0888 -17.7957 -17.7957 -8.0472 -8.0437 -7.0767 -7.0742 -6.8339 -6.8324 -5.6057 -5.5999 -5.3204 -5.3161 -4.5341 -4.5327 -3.3967 -3.3843 -2.7740 -2.7665 -2.2799 -2.2776 -2.0279 -2.0165 -2.0154 -2.0047 -1.5828 -1.5695 5.5796 5.5821 5.8412 5.8447 6.3830 6.3848 7.3768 7.3781 k = 0.1944 0.5776-0.0000 ( 3594 PWs) bands (ev): -18.7938 -18.7938 -18.5420 -18.5420 -18.0970 -18.0970 -17.7840 -17.7840 -8.0219 -8.0184 -7.1051 -7.1024 -6.8260 -6.8246 -5.6218 -5.6169 -5.3532 -5.3485 -4.5073 -4.5058 -3.3698 -3.3578 -2.7590 -2.7515 -2.2831 -2.2813 -2.0336 -2.0246 -2.0208 -2.0123 -1.5890 -1.5760 5.5546 5.5568 5.8251 5.8282 6.3930 6.3948 7.3754 7.3768 k = 0.1805 0.5776-0.0000 ( 3594 PWs) bands (ev): -18.8038 -18.8038 -18.5346 -18.5346 -18.1042 -18.1042 -17.7729 -17.7729 -7.9958 -7.9922 -7.1353 -7.1325 -6.8156 -6.8143 -5.6399 -5.6358 -5.3834 -5.3784 -4.4820 -4.4804 -3.3420 -3.3305 -2.7460 -2.7384 -2.2869 -2.2857 -2.0383 -2.0317 -2.0260 -2.0195 -1.5954 -1.5827 5.5291 5.5311 5.8092 5.8121 6.4047 6.4065 7.3749 7.3764 k = 0.1666 0.5776-0.0000 ( 3602 PWs) bands (ev): -18.8135 -18.8135 -18.5278 -18.5278 -18.1104 -18.1104 -17.7626 -17.7626 -7.9689 -7.9653 -7.1670 -7.1640 -6.8035 -6.8022 -5.6598 -5.6565 -5.4109 -5.4055 -4.4581 -4.4565 -3.3134 -3.3024 -2.7351 -2.7275 -2.2916 -2.2909 -2.0418 -2.0376 -2.0308 -2.0265 -1.6018 -1.5897 5.5036 5.5053 5.7943 5.7969 6.4174 6.4192 7.3751 7.3766 k = 0.1527 0.5776-0.0000 ( 3592 PWs) bands (ev): -18.8228 -18.8228 -18.5217 -18.5217 -18.1156 -18.1156 -17.7530 -17.7530 -7.9412 -7.9376 -7.1996 -7.1965 -6.7899 -6.7888 -5.6814 -5.6788 -5.4353 -5.4298 -4.4359 -4.4342 -3.2845 -3.2740 -2.7262 -2.7186 -2.2974 -2.2965 -2.0444 -2.0423 -2.0350 -2.0329 -1.6083 -1.5967 5.4783 5.4797 5.7807 5.7830 6.4304 6.4322 7.3761 7.3776 k = 0.1388 0.5776-0.0000 ( 3598 PWs) bands (ev): -18.8314 -18.8314 -18.5164 -18.5164 -18.1199 -18.1199 -17.7442 -17.7442 -7.9129 -7.9092 -7.2329 -7.2297 -6.7755 -6.7744 -5.7045 -5.7024 -5.4566 -5.4511 -4.4153 -4.4136 -3.2554 -3.2455 -2.7194 -2.7119 -2.3040 -2.3028 -2.0488 -2.0440 -2.0404 -2.0362 -1.6148 -1.6037 5.4537 5.4549 5.7684 5.7704 6.4434 6.4450 7.3776 7.3791 k = 0.1250 0.5776-0.0000 ( 3600 PWs) bands (ev): -18.8394 -18.8394 -18.5118 -18.5118 -18.1234 -18.1234 -17.7362 -17.7362 -7.8838 -7.8801 -7.2668 -7.2635 -6.7606 -6.7596 -5.7284 -5.7268 -5.4750 -5.4697 -4.3964 -4.3948 -3.2266 -3.2173 -2.7146 -2.7071 -2.3112 -2.3095 -2.0541 -2.0476 -2.0425 -2.0368 -1.6211 -1.6107 5.4302 5.4312 5.7575 5.7593 6.4560 6.4575 7.3796 7.3811 k = 0.1111 0.5776-0.0000 ( 3597 PWs) bands (ev): -18.8466 -18.8466 -18.5079 -18.5079 -18.1262 -18.1262 -17.7289 -17.7289 -7.8542 -7.8505 -7.3009 -7.2975 -6.7456 -6.7446 -5.7525 -5.7513 -5.4906 -5.4856 -4.3793 -4.3778 -3.1985 -3.1898 -2.7116 -2.7044 -2.3186 -2.3165 -2.0594 -2.0537 -2.0408 -2.0359 -1.6271 -1.6175 5.4083 5.4090 5.7479 5.7495 6.4679 6.4694 7.3820 7.3834 k = 0.0972 0.5776-0.0000 ( 3594 PWs) bands (ev): -18.8531 -18.8531 -18.5047 -18.5047 -18.1283 -18.1283 -17.7225 -17.7225 -7.8241 -7.8204 -7.3352 -7.3317 -6.7307 -6.7299 -5.7761 -5.7752 -5.5037 -5.4992 -4.3641 -4.3627 -3.1713 -3.1634 -2.7105 -2.7035 -2.3259 -2.3236 -2.0646 -2.0596 -2.0380 -2.0338 -1.6327 -1.6240 5.3881 5.3887 5.7396 5.7409 6.4790 6.4803 7.3846 7.3859 k = 0.0833 0.5776-0.0000 ( 3600 PWs) bands (ev): -18.8587 -18.8587 -18.5020 -18.5020 -18.1299 -18.1299 -17.7169 -17.7169 -7.7935 -7.7898 -7.3694 -7.3659 -6.7166 -6.7158 -5.7986 -5.7979 -5.5146 -5.5106 -4.3507 -4.3495 -3.1458 -3.1386 -2.7108 -2.7042 -2.3328 -2.3304 -2.0693 -2.0650 -2.0347 -2.0312 -1.6378 -1.6301 5.3701 5.3705 5.7325 5.7337 6.4889 6.4901 7.3871 7.3884 k = 0.0694 0.5776-0.0000 ( 3600 PWs) bands (ev): -18.8636 -18.8636 -18.5000 -18.5000 -18.1311 -18.1311 -17.7122 -17.7122 -7.7627 -7.7591 -7.4033 -7.3999 -6.7035 -6.7028 -5.8191 -5.8186 -5.5234 -5.5200 -4.3393 -4.3383 -3.1222 -3.1159 -2.7123 -2.7064 -2.3390 -2.3367 -2.0736 -2.0700 -2.0312 -2.0282 -1.6423 -1.6357 5.3544 5.3548 5.7266 5.7276 6.4977 6.4987 7.3896 7.3907 k = 0.0555 0.5776-0.0000 ( 3604 PWs) bands (ev): -18.8676 -18.8676 -18.4984 -18.4984 -18.1320 -18.1320 -17.7083 -17.7083 -7.7320 -7.7284 -7.4367 -7.4332 -6.6920 -6.6914 -5.8370 -5.8366 -5.5303 -5.5275 -4.3299 -4.3290 -3.1014 -3.0961 -2.7146 -2.7095 -2.3443 -2.3422 -2.0772 -2.0743 -2.0278 -2.0253 -1.6461 -1.6407 5.3413 5.3416 5.7219 5.7226 6.5050 6.5059 7.3919 7.3928 k = 0.0417 0.5776-0.0000 ( 3594 PWs) bands (ev): -18.8707 -18.8707 -18.4972 -18.4972 -18.1325 -18.1325 -17.7052 -17.7052 -7.7017 -7.6983 -7.4688 -7.4655 -6.6824 -6.6820 -5.8517 -5.8514 -5.5355 -5.5334 -4.3225 -4.3218 -3.0839 -3.0797 -2.7171 -2.7130 -2.3484 -2.3468 -2.0800 -2.0778 -2.0247 -2.0229 -1.6490 -1.6448 5.3311 5.3312 5.7182 5.7188 6.5109 6.5116 7.3938 7.3945 k = 0.0278 0.5776-0.0000 ( 3580 PWs) bands (ev): -18.8729 -18.8729 -18.4964 -18.4964 -18.1329 -18.1329 -17.7030 -17.7030 -7.6732 -7.6702 -7.4984 -7.4954 -6.6752 -6.6749 -5.8626 -5.8624 -5.5391 -5.5376 -4.3172 -4.3167 -3.0705 -3.0676 -2.7193 -2.7164 -2.3514 -2.3502 -2.0820 -2.0805 -2.0223 -2.0210 -1.6509 -1.6481 5.3237 5.3238 5.7157 5.7160 6.5153 6.5157 7.3953 7.3958 k = 0.0139 0.5776-0.0000 ( 3576 PWs) bands (ev): -18.8742 -18.8742 -18.4959 -18.4959 -18.1331 -18.1331 -17.7017 -17.7017 -7.6496 -7.6476 -7.5220 -7.5199 -6.6707 -6.6706 -5.8693 -5.8692 -5.5410 -5.5403 -4.3139 -4.3137 -3.0618 -3.0603 -2.7206 -2.7190 -2.3530 -2.3524 -2.0830 -2.0823 -2.0206 -2.0199 -1.6518 -1.6504 5.3192 5.3192 5.7142 5.7144 6.5179 6.5181 7.3963 7.3965 k = 0.0000 0.5776-0.0000 ( 3566 PWs) bands (ev): -18.8747 -18.8747 -18.4957 -18.4957 -18.1331 -18.1331 -17.7013 -17.7013 -7.6386 -7.6386 -7.5312 -7.5312 -6.6691 -6.6691 -5.8715 -5.8715 -5.5414 -5.5414 -4.3127 -4.3127 -3.0583 -3.0583 -2.7205 -2.7205 -2.3534 -2.3534 -2.0831 -2.0831 -2.0198 -2.0198 -1.6516 -1.6516 5.3177 5.3177 5.7138 5.7138 6.5189 6.5189 7.3967 7.3967 k = 0.0000 0.5776-0.0000 ( 3566 PWs) bands (ev): -18.8747 -18.8747 -18.4957 -18.4957 -18.1331 -18.1331 -17.7013 -17.7013 -7.6386 -7.6386 -7.5312 -7.5312 -6.6691 -6.6691 -5.8715 -5.8715 -5.5414 -5.5414 -4.3127 -4.3127 -3.0583 -3.0583 -2.7205 -2.7205 -2.3534 -2.3534 -2.0831 -2.0831 -2.0198 -2.0198 -1.6516 -1.6516 5.3177 5.3177 5.7138 5.7138 6.5189 6.5189 7.3967 7.3967 k = 0.0000 0.5776 0.0140 ( 3580 PWs) bands (ev): -18.8744 -18.8744 -18.4961 -18.4961 -18.1327 -18.1327 -17.7016 -17.7016 -7.6387 -7.6386 -7.5315 -7.5313 -6.6685 -6.6684 -5.8728 -5.8726 -5.5399 -5.5399 -4.3137 -4.3136 -3.0582 -3.0580 -2.7208 -2.7207 -2.3534 -2.3530 -2.0838 -2.0832 -2.0194 -2.0190 -1.6517 -1.6517 5.3175 5.3176 5.7119 5.7120 6.5213 6.5213 7.3967 7.3968 k = 0.0000 0.5776 0.0279 ( 3584 PWs) bands (ev): -18.8737 -18.8737 -18.4972 -18.4972 -18.1316 -18.1316 -17.7025 -17.7025 -7.6389 -7.6387 -7.5320 -7.5318 -6.6667 -6.6664 -5.8763 -5.8759 -5.5354 -5.5353 -4.3166 -4.3164 -3.0575 -3.0570 -2.7216 -2.7214 -2.3530 -2.3522 -2.0852 -2.0840 -2.0179 -2.0171 -1.6520 -1.6520 5.3170 5.3172 5.7064 5.7067 6.5284 6.5284 7.3968 7.3969 k = 0.0000 0.5776 0.0419 ( 3584 PWs) bands (ev): -18.8725 -18.8725 -18.4990 -18.4990 -18.1297 -18.1297 -17.7041 -17.7041 -7.6392 -7.6388 -7.5329 -7.5325 -6.6636 -6.6632 -5.8819 -5.8813 -5.5280 -5.5279 -4.3212 -4.3210 -3.0564 -3.0556 -2.7229 -2.7225 -2.3521 -2.3509 -2.0872 -2.0854 -2.0153 -2.0143 -1.6525 -1.6524 5.3163 5.3166 5.6977 5.6980 6.5399 6.5399 7.3969 7.3970 k = 0.0000 0.5776 0.0558 ( 3582 PWs) bands (ev): -18.8708 -18.8708 -18.5016 -18.5016 -18.1271 -18.1271 -17.7062 -17.7062 -7.6396 -7.6390 -7.5342 -7.5336 -6.6592 -6.6587 -5.8894 -5.8886 -5.5180 -5.5179 -4.3277 -4.3274 -3.0547 -3.0536 -2.7247 -2.7242 -2.3508 -2.3492 -2.0898 -2.0875 -2.0118 -2.0105 -1.6531 -1.6531 5.3154 5.3157 5.6860 5.6864 6.5556 6.5556 7.3969 7.3970 k = 0.0000 0.5776 0.0698 ( 3584 PWs) bands (ev): -18.8686 -18.8686 -18.5048 -18.5048 -18.1237 -18.1237 -17.7089 -17.7089 -7.6400 -7.6393 -7.5357 -7.5350 -6.6536 -6.6530 -5.8984 -5.8975 -5.5057 -5.5055 -4.3360 -4.3355 -3.0524 -3.0512 -2.7270 -2.7264 -2.3491 -2.3472 -2.0927 -2.0901 -2.0074 -2.0059 -1.6540 -1.6539 5.3142 5.3146 5.6717 5.6723 6.5748 6.5748 7.3968 7.3969 k = 0.0000 0.5776 0.0838 ( 3586 PWs) bands (ev): -18.8660 -18.8660 -18.5087 -18.5086 -18.1197 -18.1197 -17.7123 -17.7123 -7.6404 -7.6396 -7.5376 -7.5368 -6.6469 -6.6461 -5.9089 -5.9078 -5.4913 -5.4910 -4.3460 -4.3454 -3.0497 -3.0483 -2.7297 -2.7290 -2.3469 -2.3447 -2.0961 -2.0930 -2.0021 -2.0006 -1.6550 -1.6550 5.3128 5.3133 5.6553 5.6560 6.5972 6.5972 7.3964 7.3965 k = 0.0000 0.5776 0.0977 ( 3588 PWs) bands (ev): -18.8629 -18.8629 -18.5132 -18.5131 -18.1150 -18.1150 -17.7162 -17.7162 -7.6408 -7.6399 -7.5397 -7.5388 -6.6390 -6.6381 -5.9205 -5.9193 -5.4749 -5.4746 -4.3576 -4.3570 -3.0466 -3.0450 -2.7330 -2.7321 -2.3444 -2.3418 -2.0997 -2.0964 -1.9962 -1.9946 -1.6563 -1.6563 5.3112 5.3117 5.6374 5.6381 6.6222 6.6223 7.3956 7.3957 k = 0.0000 0.5776 0.1117 ( 3588 PWs) bands (ev): -18.8593 -18.8593 -18.5182 -18.5182 -18.1097 -18.1097 -17.7207 -17.7207 -7.6413 -7.6403 -7.5421 -7.5411 -6.6300 -6.6290 -5.9332 -5.9318 -5.4570 -5.4565 -4.3709 -4.3702 -3.0430 -3.0412 -2.7367 -2.7357 -2.3415 -2.3386 -2.1036 -2.1000 -1.9897 -1.9880 -1.6579 -1.6578 5.3094 5.3101 5.6182 5.6190 6.6493 6.6494 7.3942 7.3944 k = 0.0000 0.5776 0.1257 ( 3592 PWs) bands (ev): -18.8553 -18.8553 -18.5239 -18.5239 -18.1038 -18.1038 -17.7257 -17.7257 -7.6417 -7.6406 -7.5448 -7.5436 -6.6199 -6.6189 -5.9466 -5.9452 -5.4376 -5.4369 -4.3857 -4.3849 -3.0389 -3.0370 -2.7408 -2.7398 -2.3382 -2.3350 -2.1078 -2.1040 -1.9825 -1.9809 -1.6597 -1.6596 5.3075 5.3082 5.5982 5.5991 6.6781 6.6782 7.3921 7.3923 k = 0.0000 0.5776 0.1396 ( 3586 PWs) bands (ev): -18.8509 -18.8509 -18.5300 -18.5300 -18.0974 -18.0973 -17.7313 -17.7313 -7.6421 -7.6408 -7.5477 -7.5464 -6.6089 -6.6077 -5.9607 -5.9592 -5.4168 -5.4161 -4.4020 -4.4010 -3.0344 -3.0324 -2.7454 -2.7443 -2.3345 -2.3311 -2.1122 -2.1081 -1.9748 -1.9732 -1.6619 -1.6618 5.3055 5.3063 5.5777 5.5787 6.7082 6.7083 7.3891 7.3894 k = 0.0000 0.5776 0.1536 ( 3578 PWs) bands (ev): -18.8460 -18.8460 -18.5367 -18.5367 -18.0904 -18.0904 -17.7373 -17.7373 -7.6424 -7.6410 -7.5508 -7.5494 -6.5970 -6.5957 -5.9754 -5.9738 -5.3949 -5.3940 -4.4197 -4.4186 -3.0296 -3.0274 -2.7505 -2.7493 -2.3305 -2.3268 -2.1168 -2.1125 -1.9666 -1.9650 -1.6643 -1.6642 5.3034 5.3042 5.5570 5.5581 6.7391 6.7392 7.3853 7.3856 k = 0.0000 0.5776 0.1675 ( 3576 PWs) bands (ev): -18.8407 -18.8407 -18.5438 -18.5437 -18.0829 -18.0829 -17.7439 -17.7439 -7.6426 -7.6411 -7.5541 -7.5526 -6.5841 -6.5828 -5.9906 -5.9890 -5.3719 -5.3709 -4.4387 -4.4375 -3.0243 -3.0221 -2.7560 -2.7547 -2.3262 -2.3223 -2.1216 -2.1171 -1.9579 -1.9563 -1.6671 -1.6670 5.3012 5.3021 5.5364 5.5375 6.7706 6.7707 7.3804 7.3808 k = 0.0000 0.5776 0.1815 ( 3578 PWs) bands (ev): -18.8350 -18.8349 -18.5513 -18.5512 -18.0750 -18.0749 -17.7510 -17.7510 -7.6427 -7.6411 -7.5575 -7.5560 -6.5705 -6.5691 -6.0062 -6.0046 -5.3480 -5.3468 -4.4589 -4.4576 -3.0188 -3.0164 -2.7619 -2.7605 -2.3216 -2.3174 -2.1265 -2.1220 -1.9488 -1.9473 -1.6703 -1.6702 5.2991 5.3000 5.5161 5.5172 6.8023 6.8024 7.3746 7.3750 k = 0.0000 0.5776 0.1955 ( 3572 PWs) bands (ev): -18.8288 -18.8288 -18.5591 -18.5591 -18.0666 -18.0666 -17.7586 -17.7586 -7.6426 -7.6410 -7.5611 -7.5595 -6.5562 -6.5547 -6.0223 -6.0206 -5.3231 -5.3219 -4.4803 -4.4789 -3.0128 -3.0104 -2.7682 -2.7667 -2.3167 -2.3123 -2.1317 -2.1270 -1.9393 -1.9378 -1.6739 -1.6737 5.2969 5.2980 5.4962 5.4974 6.8340 6.8341 7.3678 7.3683 k = 0.0000 0.5776 0.2094 ( 3578 PWs) bands (ev): -18.8224 -18.8224 -18.5674 -18.5673 -18.0578 -18.0578 -17.7665 -17.7665 -7.6424 -7.6407 -7.5649 -7.5631 -6.5412 -6.5396 -6.0386 -6.0369 -5.2975 -5.2961 -4.5028 -4.5012 -3.0066 -3.0041 -2.7749 -2.7734 -2.3115 -2.3070 -2.1370 -2.1322 -1.9295 -1.9280 -1.6778 -1.6776 5.2949 5.2960 5.4768 5.4781 6.8654 6.8655 7.3601 7.3606 k = 0.0000 0.5776 0.2234 ( 3576 PWs) bands (ev): -18.8155 -18.8155 -18.5759 -18.5759 -18.0487 -18.0487 -17.7749 -17.7749 -7.6420 -7.6402 -7.5687 -7.5669 -6.5255 -6.5239 -6.0553 -6.0536 -5.2711 -5.2696 -4.5262 -4.5246 -3.0000 -2.9976 -2.7819 -2.7804 -2.3061 -2.3015 -2.1425 -2.1375 -1.9194 -1.9179 -1.6822 -1.6820 5.2930 5.2941 5.4583 5.4596 6.8963 6.8964 7.3517 7.3522 k = 0.0000 0.5776 0.2374 ( 3580 PWs) bands (ev): -18.8083 -18.8083 -18.5847 -18.5847 -18.0393 -18.0392 -17.7837 -17.7837 -7.6414 -7.6396 -7.5727 -7.5708 -6.5093 -6.5077 -6.0723 -6.0706 -5.2441 -5.2425 -4.5506 -4.5489 -2.9932 -2.9907 -2.7893 -2.7877 -2.3005 -2.2957 -2.1481 -2.1430 -1.9090 -1.9076 -1.6871 -1.6868 5.2912 5.2924 5.4405 5.4418 6.9265 6.9266 7.3426 7.3432 k = 0.0000 0.5776 0.2513 ( 3574 PWs) bands (ev): -18.8008 -18.8008 -18.5937 -18.5937 -18.0295 -18.0295 -17.7928 -17.7928 -7.6407 -7.6387 -7.5766 -7.5747 -6.4926 -6.4909 -6.0896 -6.0878 -5.2165 -5.2147 -4.5759 -4.5740 -2.9861 -2.9836 -2.7970 -2.7953 -2.2947 -2.2898 -2.1538 -2.1487 -1.8983 -1.8970 -1.6923 -1.6921 5.2897 5.2910 5.4236 5.4250 6.9559 6.9560 7.3329 7.3336 k = 0.0000 0.5776 0.2653 ( 3568 PWs) bands (ev): -18.7929 -18.7929 -18.6030 -18.6030 -18.0194 -18.0194 -17.8023 -17.8023 -7.6397 -7.6377 -7.5806 -7.5786 -6.4755 -6.4738 -6.1071 -6.1053 -5.1883 -5.1865 -4.6019 -4.5999 -2.9787 -2.9763 -2.8049 -2.8033 -2.2887 -2.2837 -2.1597 -2.1545 -1.8875 -1.8862 -1.6980 -1.6977 5.2885 5.2898 5.4076 5.4091 6.9842 6.9843 7.3228 7.3235 k = 0.0000 0.5776 0.2792 ( 3578 PWs) bands (ev): -18.7848 -18.7848 -18.6125 -18.6124 -18.0091 -18.0091 -17.8121 -17.8121 -7.6385 -7.6365 -7.5847 -7.5826 -6.4580 -6.4563 -6.1248 -6.1230 -5.1597 -5.1578 -4.6286 -4.6266 -2.9711 -2.9687 -2.8132 -2.8115 -2.2826 -2.2774 -2.1657 -2.1604 -1.8766 -1.8753 -1.7042 -1.7039 5.2876 5.2890 5.3927 5.3942 7.0115 7.0115 7.3123 7.3130 k = 0.0000 0.5776 0.2932 ( 3576 PWs) bands (ev): -18.7764 -18.7763 -18.6221 -18.6220 -17.9986 -17.9986 -17.8222 -17.8222 -7.6371 -7.6350 -7.5887 -7.5866 -6.4402 -6.4384 -6.1428 -6.1409 -5.1307 -5.1286 -4.6560 -4.6538 -2.9632 -2.9608 -2.8217 -2.8199 -2.2763 -2.2711 -2.1718 -2.1665 -1.8655 -1.8643 -1.7109 -1.7105 5.2872 5.2886 5.3788 5.3803 7.0375 7.0375 7.3015 7.3022 k = 0.0000 0.5776 0.3072 ( 3576 PWs) bands (ev): -18.7677 -18.7677 -18.6318 -18.6318 -17.9879 -17.9879 -17.8325 -17.8325 -7.6354 -7.6333 -7.5927 -7.5905 -6.4221 -6.4203 -6.1609 -6.1590 -5.1013 -5.0991 -4.6839 -4.6817 -2.9551 -2.9528 -2.8303 -2.8285 -2.2699 -2.2646 -2.1781 -2.1726 -1.8544 -1.8533 -1.7180 -1.7176 5.2872 5.2886 5.3659 5.3675 7.0622 7.0623 7.2904 7.2911 k = 0.0000 0.5776 0.3211 ( 3576 PWs) bands (ev): -18.7588 -18.7588 -18.6417 -18.6417 -17.9770 -17.9770 -17.8431 -17.8431 -7.6336 -7.6314 -7.5966 -7.5944 -6.4038 -6.4020 -6.1792 -6.1773 -5.0716 -5.0694 -4.7123 -4.7101 -2.9468 -2.9445 -2.8392 -2.8373 -2.2635 -2.2581 -2.1844 -2.1789 -1.8434 -1.8423 -1.7255 -1.7251 5.2877 5.2892 5.3541 5.3557 7.0857 7.0858 7.2789 7.2796 k = 0.0000 0.5776 0.3351 ( 3574 PWs) bands (ev): -18.7496 -18.7496 -18.6516 -18.6516 -17.9660 -17.9660 -17.8539 -17.8539 -7.6315 -7.6293 -7.6004 -7.5982 -6.3853 -6.3834 -6.1976 -6.1957 -5.0416 -5.0393 -4.7412 -4.7389 -2.9383 -2.9361 -2.8481 -2.8462 -2.2569 -2.2515 -2.1908 -2.1853 -1.8323 -1.8313 -1.7335 -1.7330 5.2888 5.2903 5.3434 5.3449 7.1077 7.1079 7.2670 7.2677 k = 0.0000 0.5776 0.3491 ( 3572 PWs) bands (ev): -18.7403 -18.7403 -18.6616 -18.6616 -17.9548 -17.9548 -17.8648 -17.8648 -7.6292 -7.6270 -7.6042 -7.6020 -6.3666 -6.3648 -6.2161 -6.2142 -5.0115 -5.0092 -4.7705 -4.7681 -2.9297 -2.9275 -2.8572 -2.8553 -2.2503 -2.2448 -2.1972 -2.1917 -1.8214 -1.8204 -1.7419 -1.7414 5.2905 5.2921 5.3337 5.3353 7.1285 7.1287 7.2547 7.2554 k = 0.0000 0.5776 0.3630 ( 3576 PWs) bands (ev): -18.7308 -18.7308 -18.6716 -18.6716 -17.9436 -17.9436 -17.8758 -17.8758 -7.6267 -7.6245 -7.6079 -7.6056 -6.3479 -6.3460 -6.2348 -6.2329 -4.9812 -4.9789 -4.8001 -4.7977 -2.9209 -2.9187 -2.8663 -2.8644 -2.2437 -2.2382 -2.2038 -2.1982 -1.8106 -1.8097 -1.7507 -1.7502 5.2929 5.2945 5.3250 5.3266 7.1479 7.1482 7.2419 7.2425 k = 0.0000 0.5776 0.3770 ( 3576 PWs) bands (ev): -18.7212 -18.7212 -18.6816 -18.6816 -17.9323 -17.9323 -17.8870 -17.8870 -7.6240 -7.6218 -7.6114 -7.6092 -6.3290 -6.3271 -6.2536 -6.2517 -4.9509 -4.9485 -4.8299 -4.8275 -2.9120 -2.9098 -2.8755 -2.8735 -2.2370 -2.2315 -2.2103 -2.2048 -1.7999 -1.7991 -1.7599 -1.7593 5.2961 5.2977 5.3174 5.3190 7.1661 7.1665 7.2285 7.2290 k = 0.0000 0.5776 0.3909 ( 3576 PWs) bands (ev): -18.7114 -18.7114 -18.6916 -18.6916 -17.9209 -17.9209 -17.8983 -17.8983 -7.6211 -7.6189 -7.6148 -7.6126 -6.3102 -6.3083 -6.2724 -6.2705 -4.9205 -4.9181 -4.8600 -4.8576 -2.9029 -2.9009 -2.8847 -2.8827 -2.2303 -2.2248 -2.2170 -2.2114 -1.7895 -1.7887 -1.7695 -1.7688 5.3001 5.3017 5.3107 5.3123 7.1832 7.1836 7.2143 7.2148 k = 0.0000 0.5776 0.4049 ( 3568 PWs) bands (ev): -18.7016 -18.7016 -18.7015 -18.7015 -17.9096 -17.9096 -17.9096 -17.9096 -7.6180 -7.6180 -7.6158 -7.6158 -6.2913 -6.2913 -6.2894 -6.2894 -4.8902 -4.8902 -4.8878 -4.8878 -2.8938 -2.8938 -2.8918 -2.8918 -2.2236 -2.2236 -2.2181 -2.2181 -1.7793 -1.7793 -1.7786 -1.7786 5.3050 5.3050 5.3066 5.3066 7.1992 7.1992 7.1997 7.1997 k = 0.0000 0.5776 0.4049 ( 3568 PWs) bands (ev): -18.7016 -18.7016 -18.7015 -18.7015 -17.9096 -17.9096 -17.9096 -17.9096 -7.6180 -7.6180 -7.6158 -7.6158 -6.2913 -6.2913 -6.2894 -6.2894 -4.8902 -4.8902 -4.8878 -4.8878 -2.8938 -2.8938 -2.8918 -2.8918 -2.2236 -2.2236 -2.2181 -2.2181 -1.7793 -1.7793 -1.7786 -1.7786 5.3050 5.3050 5.3066 5.3066 7.1992 7.1992 7.1997 7.1997 k = 0.0139 0.5776 0.4049 ( 3572 PWs) bands (ev): -18.7013 -18.7013 -18.7013 -18.7013 -17.9099 -17.9099 -17.9099 -17.9099 -7.6190 -7.6190 -7.6167 -7.6167 -6.2894 -6.2894 -6.2875 -6.2875 -4.8909 -4.8909 -4.8884 -4.8884 -2.8952 -2.8952 -2.8927 -2.8927 -2.2229 -2.2229 -2.2173 -2.2173 -1.7795 -1.7795 -1.7784 -1.7784 5.3064 5.3064 5.3080 5.3080 7.1976 7.1976 7.1981 7.1981 k = 0.0278 0.5776 0.4049 ( 3586 PWs) bands (ev): -18.7005 -18.7005 -18.7004 -18.7004 -17.9109 -17.9109 -17.9109 -17.9109 -7.6217 -7.6217 -7.6194 -7.6194 -6.2839 -6.2839 -6.2818 -6.2818 -4.8929 -4.8929 -4.8903 -4.8903 -2.8993 -2.8993 -2.8958 -2.8958 -2.2206 -2.2206 -2.2150 -2.2150 -1.7797 -1.7797 -1.7779 -1.7779 5.3105 5.3105 5.3121 5.3121 7.1925 7.1925 7.1933 7.1933 k = 0.0417 0.5776 0.4049 ( 3584 PWs) bands (ev): -18.6991 -18.6991 -18.6990 -18.6990 -17.9125 -17.9125 -17.9125 -17.9125 -7.6262 -7.6262 -7.6239 -7.6239 -6.2747 -6.2747 -6.2723 -6.2723 -4.8962 -4.8962 -4.8934 -4.8934 -2.9056 -2.9056 -2.9010 -2.9010 -2.2169 -2.2169 -2.2111 -2.2111 -1.7799 -1.7799 -1.7772 -1.7772 5.3174 5.3174 5.3191 5.3191 7.1844 7.1844 7.1853 7.1853 k = 0.0555 0.5776 0.4049 ( 3586 PWs) bands (ev): -18.6971 -18.6971 -18.6971 -18.6971 -17.9147 -17.9147 -17.9147 -17.9147 -7.6324 -7.6324 -7.6300 -7.6300 -6.2620 -6.2620 -6.2594 -6.2594 -4.9008 -4.9008 -4.8977 -4.8977 -2.9141 -2.9141 -2.9083 -2.9083 -2.2119 -2.2119 -2.2059 -2.2059 -1.7799 -1.7799 -1.7764 -1.7764 5.3270 5.3270 5.3288 5.3288 7.1733 7.1733 7.1744 7.1744 k = 0.0694 0.5776 0.4049 ( 3578 PWs) bands (ev): -18.6947 -18.6947 -18.6946 -18.6946 -17.9175 -17.9175 -17.9175 -17.9175 -7.6400 -7.6400 -7.6376 -7.6376 -6.2460 -6.2460 -6.2430 -6.2430 -4.9066 -4.9066 -4.9033 -4.9033 -2.9246 -2.9246 -2.9177 -2.9177 -2.2056 -2.2056 -2.1995 -2.1995 -1.7799 -1.7799 -1.7755 -1.7755 5.3393 5.3393 5.3412 5.3412 7.1594 7.1594 7.1608 7.1608 k = 0.0833 0.5776 0.4049 ( 3584 PWs) bands (ev): -18.6917 -18.6917 -18.6917 -18.6917 -17.9208 -17.9208 -17.9208 -17.9208 -7.6490 -7.6490 -7.6465 -7.6465 -6.2268 -6.2268 -6.2235 -6.2235 -4.9137 -4.9137 -4.9101 -4.9101 -2.9369 -2.9369 -2.9289 -2.9289 -2.1983 -2.1983 -2.1921 -2.1921 -1.7797 -1.7797 -1.7745 -1.7745 5.3540 5.3540 5.3561 5.3561 7.1431 7.1431 7.1448 7.1448 k = 0.0972 0.5776 0.4049 ( 3588 PWs) bands (ev): -18.6883 -18.6883 -18.6883 -18.6883 -17.9247 -17.9247 -17.9247 -17.9247 -7.6591 -7.6591 -7.6566 -7.6566 -6.2046 -6.2046 -6.2010 -6.2010 -4.9221 -4.9221 -4.9181 -4.9181 -2.9507 -2.9507 -2.9417 -2.9417 -2.1902 -2.1902 -2.1838 -2.1838 -1.7794 -1.7794 -1.7734 -1.7734 5.3712 5.3712 5.3734 5.3734 7.1247 7.1247 7.1266 7.1266 k = 0.1111 0.5776 0.4049 ( 3584 PWs) bands (ev): -18.6845 -18.6845 -18.6845 -18.6845 -17.9290 -17.9290 -17.9290 -17.9290 -7.6702 -7.6702 -7.6676 -7.6676 -6.1798 -6.1798 -6.1758 -6.1758 -4.9316 -4.9316 -4.9273 -4.9273 -2.9659 -2.9659 -2.9560 -2.9560 -2.1813 -2.1813 -2.1748 -2.1748 -1.7789 -1.7789 -1.7721 -1.7721 5.3907 5.3907 5.3931 5.3931 7.1045 7.1045 7.1065 7.1065 k = 0.1250 0.5776 0.4049 ( 3580 PWs) bands (ev): -18.6803 -18.6803 -18.6803 -18.6803 -17.9337 -17.9337 -17.9337 -17.9337 -7.6820 -7.6820 -7.6793 -7.6793 -6.1525 -6.1525 -6.1482 -6.1482 -4.9424 -4.9424 -4.9377 -4.9377 -2.9823 -2.9823 -2.9716 -2.9716 -2.1720 -2.1720 -2.1653 -2.1653 -1.7782 -1.7782 -1.7707 -1.7707 5.4122 5.4122 5.4148 5.4148 7.0828 7.0828 7.0851 7.0851 k = 0.1388 0.5776 0.4049 ( 3574 PWs) bands (ev): -18.6759 -18.6759 -18.6758 -18.6758 -17.9388 -17.9388 -17.9388 -17.9388 -7.6944 -7.6944 -7.6917 -7.6917 -6.1231 -6.1231 -6.1184 -6.1184 -4.9542 -4.9542 -4.9492 -4.9492 -2.9996 -2.9996 -2.9882 -2.9882 -2.1623 -2.1623 -2.1556 -2.1556 -1.7774 -1.7774 -1.7692 -1.7692 5.4358 5.4358 5.4386 5.4386 7.0600 7.0600 7.0625 7.0625 k = 0.1527 0.5776 0.4049 ( 3572 PWs) bands (ev): -18.6711 -18.6711 -18.6711 -18.6711 -17.9441 -17.9441 -17.9441 -17.9441 -7.7071 -7.7071 -7.7044 -7.7044 -6.0917 -6.0917 -6.0867 -6.0867 -4.9672 -4.9672 -4.9618 -4.9618 -3.0178 -3.0178 -3.0057 -3.0057 -2.1524 -2.1524 -2.1457 -2.1457 -1.7764 -1.7764 -1.7675 -1.7675 5.4610 5.4610 5.4640 5.4640 7.0364 7.0364 7.0390 7.0390 k = 0.1666 0.5776 0.4049 ( 3572 PWs) bands (ev): -18.6662 -18.6662 -18.6662 -18.6662 -17.9497 -17.9497 -17.9496 -17.9496 -7.7201 -7.7201 -7.7174 -7.7174 -6.0586 -6.0586 -6.0533 -6.0533 -4.9812 -4.9812 -4.9755 -4.9755 -3.0367 -3.0367 -3.0240 -3.0240 -2.1426 -2.1426 -2.1357 -2.1357 -1.7752 -1.7752 -1.7656 -1.7656 5.4877 5.4877 5.4909 5.4909 7.0124 7.0124 7.0152 7.0152 k = 0.1805 0.5776 0.4049 ( 3564 PWs) bands (ev): -18.6612 -18.6612 -18.6612 -18.6612 -17.9553 -17.9553 -17.9552 -17.9552 -7.7332 -7.7332 -7.7304 -7.7304 -6.0241 -6.0241 -6.0185 -6.0185 -4.9962 -4.9962 -4.9901 -4.9901 -3.0560 -3.0560 -3.0428 -3.0428 -2.1328 -2.1328 -2.1260 -2.1260 -1.7737 -1.7737 -1.7636 -1.7636 5.5155 5.5155 5.5190 5.5190 6.9883 6.9883 6.9912 6.9912 k = 0.1944 0.5776 0.4049 ( 3566 PWs) bands (ev): -18.6562 -18.6562 -18.6562 -18.6562 -17.9608 -17.9608 -17.9608 -17.9608 -7.7461 -7.7461 -7.7434 -7.7434 -5.9885 -5.9885 -5.9825 -5.9825 -5.0120 -5.0120 -5.0056 -5.0056 -3.0757 -3.0757 -3.0621 -3.0621 -2.1234 -2.1234 -2.1165 -2.1165 -1.7721 -1.7721 -1.7613 -1.7613 5.5443 5.5443 5.5479 5.5479 6.9643 6.9643 6.9674 6.9674 k = 0.2083 0.5776 0.4049 ( 3556 PWs) bands (ev): -18.6513 -18.6513 -18.6513 -18.6513 -17.9663 -17.9663 -17.9662 -17.9662 -7.7589 -7.7589 -7.7561 -7.7561 -5.9520 -5.9520 -5.9457 -5.9457 -5.0286 -5.0286 -5.0219 -5.0219 -3.0956 -3.0956 -3.0816 -3.0816 -2.1143 -2.1143 -2.1074 -2.1074 -1.7701 -1.7701 -1.7589 -1.7589 5.5735 5.5735 5.5774 5.5774 6.9409 6.9409 6.9442 6.9442 k = 0.2221 0.5776 0.4049 ( 3558 PWs) bands (ev): -18.6467 -18.6467 -18.6466 -18.6466 -17.9714 -17.9714 -17.9714 -17.9714 -7.7713 -7.7713 -7.7686 -7.7686 -5.9149 -5.9149 -5.9082 -5.9082 -5.0459 -5.0459 -5.0388 -5.0388 -3.1156 -3.1156 -3.1014 -3.1014 -2.1057 -2.1057 -2.0988 -2.0988 -1.7679 -1.7679 -1.7562 -1.7562 5.6029 5.6029 5.6070 5.6070 6.9184 6.9184 6.9218 6.9218 k = 0.2360 0.5776 0.4049 ( 3558 PWs) bands (ev): -18.6424 -18.6424 -18.6423 -18.6423 -17.9762 -17.9762 -17.9762 -17.9762 -7.7834 -7.7834 -7.7806 -7.7806 -5.8775 -5.8775 -5.8704 -5.8704 -5.0637 -5.0637 -5.0562 -5.0562 -3.1357 -3.1357 -3.1212 -3.1212 -2.0977 -2.0977 -2.0908 -2.0908 -1.7654 -1.7654 -1.7533 -1.7533 5.6320 5.6320 5.6364 5.6364 6.8971 6.8971 6.9007 6.9007 k = 0.2499 0.5776 0.4049 ( 3566 PWs) bands (ev): -18.6385 -18.6385 -18.6385 -18.6385 -17.9804 -17.9804 -17.9804 -17.9804 -7.7949 -7.7949 -7.7922 -7.7922 -5.8401 -5.8401 -5.8326 -5.8326 -5.0818 -5.0818 -5.0739 -5.0739 -3.1557 -3.1557 -3.1410 -3.1410 -2.0904 -2.0904 -2.0835 -2.0835 -1.7625 -1.7625 -1.7502 -1.7502 5.6603 5.6603 5.6649 5.6649 6.8775 6.8775 6.8812 6.8812 k = 0.2638 0.5776 0.4049 ( 3566 PWs) bands (ev): -18.6353 -18.6353 -18.6352 -18.6352 -17.9839 -17.9839 -17.9839 -17.9839 -7.8059 -7.8059 -7.8032 -7.8032 -5.8030 -5.8030 -5.7952 -5.7952 -5.0999 -5.0999 -5.0917 -5.0917 -3.1755 -3.1755 -3.1607 -3.1607 -2.0839 -2.0839 -2.0770 -2.0770 -1.7594 -1.7594 -1.7468 -1.7468 5.6873 5.6873 5.6921 5.6921 6.8599 6.8599 6.8638 6.8638 k = 0.2777 0.5776 0.4049 ( 3556 PWs) bands (ev): -18.6327 -18.6327 -18.6327 -18.6327 -17.9866 -17.9866 -17.9866 -17.9866 -7.8163 -7.8163 -7.8136 -7.8136 -5.7667 -5.7667 -5.7584 -5.7584 -5.1178 -5.1178 -5.1091 -5.1091 -3.1951 -3.1951 -3.1801 -3.1801 -2.0781 -2.0781 -2.0713 -2.0713 -1.7560 -1.7560 -1.7432 -1.7432 5.7125 5.7125 5.7174 5.7174 6.8447 6.8447 6.8488 6.8488 k = 0.2916 0.5776 0.4049 ( 3552 PWs) bands (ev): -18.6311 -18.6311 -18.6310 -18.6310 -17.9883 -17.9883 -17.9883 -17.9883 -7.8259 -7.8259 -7.8233 -7.8233 -5.7316 -5.7316 -5.7230 -5.7230 -5.1349 -5.1349 -5.1259 -5.1259 -3.2144 -3.2144 -3.1994 -3.1994 -2.0732 -2.0732 -2.0665 -2.0665 -1.7522 -1.7522 -1.7394 -1.7394 5.7351 5.7351 5.7402 5.7402 6.8325 6.8325 6.8366 6.8366 k = 0.3054 0.5776 0.4049 ( 3558 PWs) bands (ev): -18.6304 -18.6304 -18.6304 -18.6304 -17.9889 -17.9889 -17.9889 -17.9889 -7.8349 -7.8349 -7.8323 -7.8323 -5.6985 -5.6985 -5.6894 -5.6894 -5.1507 -5.1507 -5.1413 -5.1413 -3.2333 -3.2333 -3.2182 -3.2182 -2.0693 -2.0693 -2.0626 -2.0626 -1.7482 -1.7482 -1.7354 -1.7354 5.7545 5.7545 5.7597 5.7597 6.8236 6.8236 6.8278 6.8278 k = 0.3193 0.5776 0.4049 ( 3564 PWs) bands (ev): -18.6309 -18.6309 -18.6308 -18.6308 -17.9883 -17.9883 -17.9882 -17.9882 -7.8432 -7.8432 -7.8407 -7.8407 -5.6680 -5.6680 -5.6585 -5.6585 -5.1645 -5.1645 -5.1548 -5.1548 -3.2518 -3.2518 -3.2367 -3.2367 -2.0663 -2.0663 -2.0597 -2.0597 -1.7440 -1.7440 -1.7312 -1.7312 5.7701 5.7701 5.7755 5.7755 6.8184 6.8184 6.8228 6.8228 k = 0.3332 0.5776 0.4049 ( 3564 PWs) bands (ev): -18.6325 -18.6325 -18.6324 -18.6324 -17.9863 -17.9863 -17.9862 -17.9862 -7.8508 -7.8508 -7.8482 -7.8482 -5.6410 -5.6410 -5.6312 -5.6312 -5.1754 -5.1754 -5.1655 -5.1655 -3.2698 -3.2698 -3.2548 -3.2548 -2.0643 -2.0643 -2.0578 -2.0578 -1.7395 -1.7395 -1.7269 -1.7269 5.7814 5.7814 5.7869 5.7869 6.8175 6.8175 6.8219 6.8219 k = 0.3332 0.5776 0.4049 ( 3564 PWs) bands (ev): -18.6325 -18.6325 -18.6324 -18.6324 -17.9863 -17.9863 -17.9862 -17.9862 -7.8508 -7.8508 -7.8482 -7.8482 -5.6410 -5.6410 -5.6312 -5.6312 -5.1754 -5.1754 -5.1655 -5.1655 -3.2698 -3.2698 -3.2548 -3.2548 -2.0643 -2.0643 -2.0578 -2.0578 -1.7395 -1.7395 -1.7269 -1.7269 5.7814 5.7814 5.7869 5.7869 6.8175 6.8175 6.8219 6.8219 k = 0.3261 0.5653 0.4049 ( 3564 PWs) bands (ev): -18.6287 -18.6287 -18.6286 -18.6286 -17.9909 -17.9909 -17.9909 -17.9909 -7.8358 -7.8358 -7.8332 -7.8332 -5.6924 -5.6924 -5.6831 -5.6831 -5.1560 -5.1560 -5.1464 -5.1464 -3.2339 -3.2339 -3.2187 -3.2187 -2.0679 -2.0679 -2.0611 -2.0611 -1.7490 -1.7490 -1.7360 -1.7360 5.7609 5.7609 5.7662 5.7662 6.8180 6.8180 6.8223 6.8223 k = 0.3190 0.5530 0.4049 ( 3552 PWs) bands (ev): -18.6264 -18.6264 -18.6264 -18.6264 -17.9938 -17.9938 -17.9937 -17.9937 -7.8203 -7.8203 -7.8176 -7.8176 -5.7446 -5.7446 -5.7356 -5.7356 -5.1354 -5.1354 -5.1259 -5.1259 -3.1988 -3.1988 -3.1835 -3.1835 -2.0721 -2.0721 -2.0652 -2.0652 -1.7587 -1.7587 -1.7455 -1.7455 5.7359 5.7359 5.7412 5.7412 6.8248 6.8248 6.8290 6.8290 k = 0.3119 0.5407 0.4049 ( 3548 PWs) bands (ev): -18.6260 -18.6260 -18.6260 -18.6260 -17.9945 -17.9945 -17.9945 -17.9945 -7.8043 -7.8043 -7.8015 -7.8015 -5.7969 -5.7969 -5.7882 -5.7882 -5.1139 -5.1139 -5.1046 -5.1046 -3.1649 -3.1649 -3.1496 -3.1496 -2.0769 -2.0769 -2.0697 -2.0697 -1.7686 -1.7686 -1.7552 -1.7552 5.7065 5.7065 5.7116 5.7116 6.8377 6.8377 6.8419 6.8419 k = 0.3049 0.5284 0.4049 ( 3556 PWs) bands (ev): -18.6275 -18.6275 -18.6275 -18.6275 -17.9931 -17.9931 -17.9930 -17.9930 -7.7879 -7.7879 -7.7850 -7.7850 -5.8489 -5.8489 -5.8405 -5.8405 -5.0919 -5.0919 -5.0827 -5.0827 -3.1326 -3.1326 -3.1172 -3.1172 -2.0818 -2.0818 -2.0745 -2.0745 -1.7788 -1.7788 -1.7652 -1.7652 5.6727 5.6727 5.6776 5.6776 6.8565 6.8565 6.8605 6.8605 k = 0.2978 0.5161 0.4049 ( 3560 PWs) bands (ev): -18.6311 -18.6311 -18.6310 -18.6310 -17.9894 -17.9894 -17.9893 -17.9893 -7.7711 -7.7711 -7.7682 -7.7682 -5.9003 -5.9003 -5.8921 -5.8921 -5.0696 -5.0696 -5.0603 -5.0603 -3.1023 -3.1023 -3.0867 -3.0867 -2.0865 -2.0865 -2.0792 -2.0792 -1.7892 -1.7892 -1.7755 -1.7755 5.6349 5.6349 5.6397 5.6397 6.8807 6.8807 6.8845 6.8845 k = 0.2907 0.5038 0.4049 ( 3564 PWs) bands (ev): -18.6366 -18.6366 -18.6365 -18.6365 -17.9834 -17.9834 -17.9833 -17.9833 -7.7541 -7.7541 -7.7511 -7.7511 -5.9509 -5.9509 -5.9428 -5.9428 -5.0470 -5.0470 -5.0378 -5.0378 -3.0742 -3.0742 -3.0586 -3.0586 -2.0909 -2.0909 -2.0835 -2.0835 -1.7998 -1.7998 -1.7860 -1.7860 5.5935 5.5935 5.5980 5.5980 6.9096 6.9096 6.9133 6.9133 k = 0.2836 0.4915 0.4049 ( 3564 PWs) bands (ev): -18.6440 -18.6440 -18.6440 -18.6440 -17.9751 -17.9751 -17.9750 -17.9750 -7.7370 -7.7370 -7.7339 -7.7339 -6.0003 -6.0003 -5.9923 -5.9923 -5.0244 -5.0244 -5.0152 -5.0152 -3.0487 -3.0487 -3.0331 -3.0331 -2.0947 -2.0947 -2.0872 -2.0872 -1.8105 -1.8105 -1.7966 -1.7966 5.5488 5.5488 5.5531 5.5531 6.9425 6.9425 6.9461 6.9461 k = 0.2765 0.4793 0.4049 ( 3564 PWs) bands (ev): -18.6534 -18.6534 -18.6533 -18.6533 -17.9646 -17.9646 -17.9646 -17.9646 -7.7199 -7.7199 -7.7167 -7.7167 -6.0484 -6.0484 -6.0404 -6.0404 -5.0018 -5.0018 -4.9925 -4.9925 -3.0262 -3.0262 -3.0107 -3.0107 -2.0976 -2.0976 -2.0900 -2.0900 -1.8212 -1.8212 -1.8073 -1.8073 5.5013 5.5013 5.5054 5.5054 6.9787 6.9787 6.9820 6.9820 k = 0.2694 0.4670 0.4049 ( 3564 PWs) bands (ev): -18.6645 -18.6645 -18.6644 -18.6644 -17.9521 -17.9521 -17.9520 -17.9520 -7.7030 -7.7030 -7.6997 -7.6997 -6.0950 -6.0950 -6.0870 -6.0870 -4.9792 -4.9792 -4.9699 -4.9699 -3.0070 -3.0070 -2.9915 -2.9915 -2.0995 -2.0995 -2.0919 -2.0919 -1.8318 -1.8318 -1.8178 -1.8178 5.4513 5.4513 5.4553 5.4553 7.0171 7.0171 7.0203 7.0203 k = 0.2623 0.4547 0.4049 ( 3570 PWs) bands (ev): -18.6771 -18.6771 -18.6771 -18.6771 -17.9376 -17.9376 -17.9376 -17.9376 -7.6863 -7.6863 -7.6829 -7.6829 -6.1398 -6.1398 -6.1318 -6.1318 -4.9567 -4.9567 -4.9473 -4.9473 -2.9912 -2.9912 -2.9759 -2.9759 -2.1004 -2.1004 -2.0927 -2.0927 -1.8421 -1.8421 -1.8281 -1.8281 5.3994 5.3994 5.4031 5.4031 7.0569 7.0569 7.0598 7.0598 k = 0.2552 0.4424 0.4049 ( 3578 PWs) bands (ev): -18.6911 -18.6911 -18.6911 -18.6911 -17.9215 -17.9215 -17.9215 -17.9215 -7.6702 -7.6702 -7.6667 -7.6667 -6.1827 -6.1827 -6.1747 -6.1747 -4.9344 -4.9344 -4.9250 -4.9250 -2.9789 -2.9789 -2.9638 -2.9638 -2.1004 -2.1004 -2.0926 -2.0926 -1.8518 -1.8518 -1.8379 -1.8379 5.3458 5.3458 5.3494 5.3494 7.0970 7.0970 7.0997 7.0997 k = 0.2481 0.4301 0.4049 ( 3574 PWs) bands (ev): -18.7064 -18.7064 -18.7064 -18.7064 -17.9038 -17.9038 -17.9038 -17.9038 -7.6547 -7.6547 -7.6511 -7.6511 -6.2235 -6.2235 -6.2154 -6.2154 -4.9123 -4.9123 -4.9028 -4.9028 -2.9703 -2.9703 -2.9554 -2.9554 -2.0998 -2.0998 -2.0918 -2.0918 -1.8607 -1.8607 -1.8469 -1.8469 5.2910 5.2910 5.2944 5.2944 7.1366 7.1366 7.1391 7.1391 k = 0.2410 0.4178 0.4049 ( 3570 PWs) bands (ev): -18.7227 -18.7227 -18.7226 -18.7226 -17.8848 -17.8848 -17.8847 -17.8847 -7.6401 -7.6401 -7.6363 -7.6363 -6.2620 -6.2620 -6.2538 -6.2538 -4.8904 -4.8904 -4.8808 -4.8808 -2.9651 -2.9651 -2.9505 -2.9505 -2.0989 -2.0989 -2.0907 -2.0907 -1.8684 -1.8684 -1.8548 -1.8548 5.2352 5.2352 5.2385 5.2385 7.1747 7.1747 7.1770 7.1770 k = 0.2340 0.4055 0.4049 ( 3574 PWs) bands (ev): -18.7398 -18.7398 -18.7398 -18.7398 -17.8645 -17.8645 -17.8645 -17.8645 -7.6265 -7.6265 -7.6226 -7.6226 -6.2980 -6.2980 -6.2897 -6.2897 -4.8688 -4.8688 -4.8592 -4.8592 -2.9632 -2.9632 -2.9490 -2.9490 -2.0983 -2.0983 -2.0898 -2.0898 -1.8746 -1.8746 -1.8614 -1.8614 5.1789 5.1789 5.1820 5.1820 7.2107 7.2107 7.2129 7.2129 k = 0.2269 0.3932 0.4049 ( 3570 PWs) bands (ev): -18.7576 -18.7576 -18.7576 -18.7576 -17.8433 -17.8433 -17.8433 -17.8433 -7.6141 -7.6141 -7.6102 -7.6102 -6.3313 -6.3313 -6.3230 -6.3230 -4.8475 -4.8475 -4.8378 -4.8378 -2.9643 -2.9643 -2.9505 -2.9505 -2.0984 -2.0984 -2.0896 -2.0896 -1.8790 -1.8790 -1.8662 -1.8662 5.1223 5.1223 5.1252 5.1252 7.2442 7.2442 7.2464 7.2464 k = 0.2198 0.3809 0.4049 ( 3574 PWs) bands (ev): -18.7759 -18.7759 -18.7759 -18.7759 -17.8213 -17.8213 -17.8212 -17.8212 -7.6032 -7.6032 -7.5991 -7.5991 -6.3618 -6.3618 -6.3534 -6.3534 -4.8265 -4.8265 -4.8168 -4.8168 -2.9681 -2.9681 -2.9546 -2.9546 -2.0997 -2.0997 -2.0907 -2.0907 -1.8813 -1.8813 -1.8691 -1.8691 5.0657 5.0657 5.0684 5.0684 7.2753 7.2753 7.2775 7.2775 k = 0.2127 0.3687 0.4049 ( 3578 PWs) bands (ev): -18.7947 -18.7947 -18.7946 -18.7946 -17.7985 -17.7985 -17.7985 -17.7985 -7.5938 -7.5938 -7.5897 -7.5897 -6.3894 -6.3894 -6.3809 -6.3809 -4.8060 -4.8060 -4.7962 -4.7962 -2.9741 -2.9741 -2.9610 -2.9610 -2.1028 -2.1028 -2.0933 -2.0933 -1.8815 -1.8815 -1.8699 -1.8699 5.0093 5.0093 5.0119 5.0119 7.3041 7.3041 7.3064 7.3064 k = 0.2056 0.3564 0.4049 ( 3574 PWs) bands (ev): -18.8136 -18.8136 -18.8136 -18.8136 -17.7752 -17.7752 -17.7752 -17.7752 -7.5862 -7.5862 -7.5820 -7.5820 -6.4139 -6.4139 -6.4053 -6.4053 -4.7858 -4.7858 -4.7760 -4.7760 -2.9819 -2.9819 -2.9691 -2.9691 -2.1076 -2.1076 -2.0978 -2.0978 -1.8798 -1.8798 -1.8689 -1.8689 4.9534 4.9534 4.9558 4.9558 7.3311 7.3311 7.3336 7.3336 k = 0.1985 0.3441 0.4049 ( 3578 PWs) bands (ev): -18.8328 -18.8328 -18.8328 -18.8328 -17.7516 -17.7516 -17.7516 -17.7516 -7.5804 -7.5804 -7.5761 -7.5761 -6.4352 -6.4352 -6.4266 -6.4266 -4.7662 -4.7662 -4.7563 -4.7563 -2.9911 -2.9911 -2.9787 -2.9787 -2.1143 -2.1143 -2.1041 -2.1041 -1.8766 -1.8766 -1.8662 -1.8662 4.8983 4.8983 4.9005 4.9005 7.3568 7.3568 7.3594 7.3594 k = 0.1914 0.3318 0.4049 ( 3578 PWs) bands (ev): -18.8519 -18.8519 -18.8519 -18.8519 -17.7276 -17.7276 -17.7276 -17.7276 -7.5767 -7.5767 -7.5723 -7.5723 -6.4534 -6.4534 -6.4447 -6.4447 -4.7471 -4.7471 -4.7372 -4.7372 -3.0012 -3.0012 -2.9891 -2.9891 -2.1227 -2.1227 -2.1121 -2.1121 -1.8723 -1.8723 -1.8623 -1.8623 4.8441 4.8441 4.8462 4.8462 7.3818 7.3818 7.3844 7.3844 k = 0.1843 0.3195 0.4049 ( 3582 PWs) bands (ev): -18.8711 -18.8711 -18.8710 -18.8710 -17.7035 -17.7035 -17.7035 -17.7035 -7.5749 -7.5749 -7.5705 -7.5705 -6.4684 -6.4684 -6.4596 -6.4596 -4.7286 -4.7286 -4.7188 -4.7188 -3.0118 -3.0118 -3.0001 -3.0001 -2.1325 -2.1325 -2.1214 -2.1214 -1.8675 -1.8675 -1.8578 -1.8578 4.7911 4.7911 4.7930 4.7930 7.4064 7.4064 7.4091 7.4091 k = 0.1772 0.3072 0.4049 ( 3584 PWs) bands (ev): -18.8900 -18.8900 -18.8900 -18.8900 -17.6794 -17.6794 -17.6794 -17.6794 -7.5750 -7.5750 -7.5706 -7.5706 -6.4803 -6.4803 -6.4715 -6.4715 -4.7107 -4.7107 -4.7010 -4.7010 -3.0225 -3.0225 -3.0111 -3.0111 -2.1434 -2.1434 -2.1319 -2.1319 -1.8628 -1.8628 -1.8532 -1.8532 4.7394 4.7394 4.7412 4.7412 7.4311 7.4311 7.4338 7.4338 k = 0.1701 0.2949 0.4049 ( 3584 PWs) bands (ev): -18.9087 -18.9087 -18.9087 -18.9087 -17.6553 -17.6553 -17.6553 -17.6553 -7.5772 -7.5772 -7.5728 -7.5728 -6.4892 -6.4892 -6.4805 -6.4805 -4.6936 -4.6936 -4.6839 -4.6839 -3.0329 -3.0329 -3.0218 -3.0218 -2.1552 -2.1552 -2.1432 -2.1432 -1.8587 -1.8587 -1.8489 -1.8489 4.6893 4.6893 4.6909 4.6909 7.4562 7.4562 7.4589 7.4589 k = 0.1631 0.2826 0.4049 ( 3576 PWs) bands (ev): -18.9271 -18.9271 -18.9271 -18.9271 -17.6314 -17.6314 -17.6314 -17.6314 -7.5811 -7.5811 -7.5767 -7.5767 -6.4953 -6.4953 -6.4866 -6.4866 -4.6773 -4.6773 -4.6677 -4.6677 -3.0426 -3.0426 -3.0318 -3.0318 -2.1676 -2.1676 -2.1552 -2.1552 -1.8554 -1.8554 -1.8455 -1.8455 4.6408 4.6408 4.6423 4.6423 7.4818 7.4818 7.4846 7.4846 k = 0.1560 0.2703 0.4049 ( 3580 PWs) bands (ev): -18.9452 -18.9452 -18.9452 -18.9452 -17.6078 -17.6078 -17.6078 -17.6078 -7.5867 -7.5867 -7.5824 -7.5824 -6.4988 -6.4988 -6.4902 -6.4902 -4.6618 -4.6618 -4.6523 -4.6523 -3.0513 -3.0513 -3.0408 -3.0408 -2.1804 -2.1804 -2.1676 -2.1676 -1.8535 -1.8535 -1.8432 -1.8432 4.5942 4.5942 4.5956 4.5956 7.5081 7.5081 7.5110 7.5110 k = 0.1489 0.2581 0.4049 ( 3584 PWs) bands (ev): -18.9628 -18.9628 -18.9628 -18.9628 -17.5845 -17.5845 -17.5845 -17.5845 -7.5938 -7.5938 -7.5896 -7.5896 -6.5000 -6.5000 -6.4915 -6.4915 -4.6473 -4.6473 -4.6379 -4.6379 -3.0587 -3.0587 -3.0484 -3.0484 -2.1935 -2.1935 -2.1803 -2.1803 -1.8531 -1.8531 -1.8424 -1.8424 4.5496 4.5496 4.5508 4.5508 7.5352 7.5352 7.5381 7.5381 k = 0.1418 0.2458 0.4049 ( 3588 PWs) bands (ev): -18.9799 -18.9799 -18.9799 -18.9799 -17.5617 -17.5617 -17.5617 -17.5617 -7.6023 -7.6023 -7.5981 -7.5981 -6.4991 -6.4991 -6.4907 -6.4907 -4.6337 -4.6337 -4.6245 -4.6245 -3.0646 -3.0646 -3.0545 -3.0545 -2.2068 -2.2068 -2.1931 -2.1931 -1.8543 -1.8543 -1.8433 -1.8433 4.5069 4.5069 4.5080 4.5080 7.5630 7.5630 7.5659 7.5659 k = 0.1347 0.2335 0.4049 ( 3586 PWs) bands (ev): -18.9965 -18.9965 -18.9964 -18.9964 -17.5394 -17.5394 -17.5394 -17.5394 -7.6117 -7.6117 -7.6077 -7.6077 -6.4964 -6.4964 -6.4882 -6.4882 -4.6212 -4.6212 -4.6122 -4.6122 -3.0686 -3.0686 -3.0588 -3.0588 -2.2201 -2.2201 -2.2059 -2.2059 -1.8574 -1.8574 -1.8459 -1.8459 4.4665 4.4665 4.4674 4.4674 7.5916 7.5916 7.5945 7.5945 k = 0.1276 0.2212 0.4049 ( 3578 PWs) bands (ev): -19.0124 -19.0124 -19.0124 -19.0124 -17.5177 -17.5177 -17.5177 -17.5177 -7.6221 -7.6221 -7.6181 -7.6181 -6.4923 -6.4923 -6.4841 -6.4841 -4.6097 -4.6097 -4.6009 -4.6009 -3.0706 -3.0706 -3.0611 -3.0611 -2.2333 -2.2333 -2.2187 -2.2187 -1.8625 -1.8625 -1.8505 -1.8505 4.4283 4.4283 4.4291 4.4291 7.6208 7.6208 7.6237 7.6237 k = 0.1205 0.2089 0.4049 ( 3578 PWs) bands (ev): -19.0277 -19.0277 -19.0277 -19.0277 -17.4967 -17.4967 -17.4967 -17.4967 -7.6330 -7.6330 -7.6292 -7.6292 -6.4868 -6.4868 -6.4789 -6.4789 -4.5994 -4.5994 -4.5908 -4.5908 -3.0705 -3.0705 -3.0613 -3.0613 -2.2464 -2.2464 -2.2314 -2.2314 -1.8694 -1.8694 -1.8570 -1.8570 4.3923 4.3923 4.3930 4.3930 7.6504 7.6504 7.6535 7.6535 k = 0.1134 0.1966 0.4049 ( 3574 PWs) bands (ev): -19.0424 -19.0424 -19.0424 -19.0424 -17.4765 -17.4765 -17.4765 -17.4765 -7.6444 -7.6444 -7.6407 -7.6407 -6.4805 -6.4805 -6.4727 -6.4727 -4.5901 -4.5901 -4.5819 -4.5819 -3.0682 -3.0682 -3.0592 -3.0592 -2.2594 -2.2594 -2.2439 -2.2439 -1.8783 -1.8783 -1.8654 -1.8654 4.3586 4.3586 4.3592 4.3592 7.6804 7.6804 7.6835 7.6835 k = 0.1063 0.1843 0.4049 ( 3576 PWs) bands (ev): -19.0563 -19.0563 -19.0563 -19.0563 -17.4571 -17.4571 -17.4571 -17.4571 -7.6560 -7.6560 -7.6524 -7.6524 -6.4734 -6.4734 -6.4658 -6.4658 -4.5820 -4.5820 -4.5741 -4.5741 -3.0636 -3.0636 -3.0548 -3.0548 -2.2722 -2.2722 -2.2562 -2.2562 -1.8890 -1.8890 -1.8756 -1.8756 4.3272 4.3272 4.3277 4.3277 7.7106 7.7106 7.7137 7.7137 k = 0.0993 0.1720 0.4049 ( 3564 PWs) bands (ev): -19.0695 -19.0695 -19.0695 -19.0695 -17.4386 -17.4386 -17.4386 -17.4386 -7.6675 -7.6675 -7.6641 -7.6641 -6.4659 -6.4659 -6.4585 -6.4585 -4.5750 -4.5750 -4.5673 -4.5673 -3.0568 -3.0568 -3.0482 -3.0482 -2.2847 -2.2847 -2.2682 -2.2682 -1.9013 -1.9013 -1.8875 -1.8875 4.2982 4.2982 4.2986 4.2986 7.7407 7.7407 7.7439 7.7439 k = 0.0922 0.1598 0.4049 ( 3556 PWs) bands (ev): -19.0819 -19.0819 -19.0819 -19.0819 -17.4211 -17.4211 -17.4211 -17.4211 -7.6790 -7.6790 -7.6756 -7.6756 -6.4581 -6.4581 -6.4509 -6.4509 -4.5690 -4.5690 -4.5617 -4.5617 -3.0478 -3.0478 -3.0395 -3.0395 -2.2970 -2.2970 -2.2801 -2.2801 -1.9152 -1.9152 -1.9010 -1.9010 4.2715 4.2715 4.2718 4.2718 7.7705 7.7705 7.7737 7.7737 k = 0.0851 0.1475 0.4049 ( 3560 PWs) bands (ev): -19.0935 -19.0935 -19.0935 -19.0935 -17.4047 -17.4047 -17.4047 -17.4047 -7.6901 -7.6901 -7.6869 -7.6869 -6.4502 -6.4502 -6.4433 -6.4433 -4.5640 -4.5640 -4.5570 -4.5570 -3.0368 -3.0368 -3.0287 -3.0287 -2.3091 -2.3091 -2.2916 -2.2916 -1.9303 -1.9303 -1.9157 -1.9157 4.2470 4.2470 4.2473 4.2473 7.7997 7.7997 7.8030 7.8030 k = 0.0780 0.1352 0.4049 ( 3568 PWs) bands (ev): -19.1043 -19.1043 -19.1043 -19.1043 -17.3893 -17.3893 -17.3893 -17.3893 -7.7008 -7.7008 -7.6977 -7.6977 -6.4425 -6.4425 -6.4357 -6.4357 -4.5600 -4.5600 -4.5533 -4.5533 -3.0239 -3.0239 -3.0160 -3.0160 -2.3210 -2.3210 -2.3030 -2.3030 -1.9464 -1.9464 -1.9314 -1.9314 4.2247 4.2247 4.2249 4.2249 7.8280 7.8280 7.8314 7.8314 k = 0.0709 0.1229 0.4049 ( 3572 PWs) bands (ev): -19.1142 -19.1142 -19.1142 -19.1142 -17.3751 -17.3751 -17.3751 -17.3751 -7.7109 -7.7109 -7.7079 -7.7079 -6.4350 -6.4350 -6.4284 -6.4284 -4.5567 -4.5567 -4.5504 -4.5504 -3.0094 -3.0094 -3.0018 -3.0018 -2.3325 -2.3325 -2.3141 -2.3141 -1.9631 -1.9631 -1.9479 -1.9479 4.2047 4.2047 4.2048 4.2048 7.8553 7.8553 7.8587 7.8587 k = 0.0638 0.1106 0.4049 ( 3574 PWs) bands (ev): -19.1232 -19.1232 -19.1232 -19.1232 -17.3620 -17.3620 -17.3620 -17.3620 -7.7204 -7.7204 -7.7174 -7.7174 -6.4278 -6.4278 -6.4215 -6.4215 -4.5542 -4.5542 -4.5481 -4.5481 -2.9936 -2.9936 -2.9864 -2.9864 -2.3438 -2.3438 -2.3250 -2.3250 -1.9801 -1.9801 -1.9646 -1.9646 4.1867 4.1867 4.1869 4.1869 7.8812 7.8812 7.8846 7.8846 k = 0.0567 0.0983 0.4049 ( 3582 PWs) bands (ev): -19.1313 -19.1313 -19.1313 -19.1313 -17.3503 -17.3503 -17.3503 -17.3503 -7.7291 -7.7291 -7.7262 -7.7262 -6.4212 -6.4212 -6.4151 -6.4151 -4.5523 -4.5523 -4.5465 -4.5465 -2.9770 -2.9770 -2.9701 -2.9701 -2.3547 -2.3547 -2.3356 -2.3356 -1.9969 -1.9969 -1.9813 -1.9813 4.1709 4.1709 4.1710 4.1710 7.9054 7.9054 7.9088 7.9088 k = 0.0496 0.0860 0.4049 ( 3586 PWs) bands (ev): -19.1385 -19.1385 -19.1385 -19.1385 -17.3398 -17.3398 -17.3398 -17.3398 -7.7369 -7.7369 -7.7341 -7.7341 -6.4152 -6.4152 -6.4092 -6.4092 -4.5509 -4.5509 -4.5454 -4.5454 -2.9600 -2.9600 -2.9536 -2.9536 -2.3652 -2.3652 -2.3459 -2.3459 -2.0132 -2.0132 -1.9975 -1.9975 4.1571 4.1571 4.1572 4.1572 7.9276 7.9276 7.9310 7.9310 k = 0.0425 0.0737 0.4049 ( 3594 PWs) bands (ev): -19.1448 -19.1448 -19.1448 -19.1448 -17.3306 -17.3306 -17.3306 -17.3306 -7.7438 -7.7438 -7.7411 -7.7411 -6.4098 -6.4098 -6.4040 -6.4040 -4.5499 -4.5499 -4.5447 -4.5447 -2.9432 -2.9432 -2.9372 -2.9372 -2.3752 -2.3752 -2.3557 -2.3557 -2.0284 -2.0284 -2.0127 -2.0127 4.1453 4.1453 4.1453 4.1453 7.9475 7.9475 7.9509 7.9509 k = 0.0354 0.0614 0.4049 ( 3602 PWs) bands (ev): -19.1501 -19.1501 -19.1501 -19.1501 -17.3228 -17.3228 -17.3228 -17.3228 -7.7498 -7.7498 -7.7471 -7.7471 -6.4051 -6.4051 -6.3994 -6.3994 -4.5493 -4.5493 -4.5443 -4.5443 -2.9271 -2.9271 -2.9217 -2.9217 -2.3845 -2.3845 -2.3650 -2.3650 -2.0421 -2.0421 -2.0265 -2.0265 4.1354 4.1354 4.1354 4.1354 7.9649 7.9649 7.9682 7.9682 k = 0.0284 0.0492 0.4049 ( 3614 PWs) bands (ev): -19.1545 -19.1545 -19.1545 -19.1545 -17.3164 -17.3164 -17.3164 -17.3164 -7.7547 -7.7547 -7.7521 -7.7521 -6.4013 -6.4013 -6.3957 -6.3957 -4.5489 -4.5489 -4.5441 -4.5441 -2.9125 -2.9125 -2.9077 -2.9077 -2.3928 -2.3928 -2.3733 -2.3733 -2.0539 -2.0539 -2.0385 -2.0385 4.1273 4.1273 4.1274 4.1274 7.9795 7.9795 7.9827 7.9827 k = 0.0213 0.0369 0.4049 ( 3610 PWs) bands (ev): -19.1579 -19.1579 -19.1579 -19.1579 -17.3113 -17.3113 -17.3113 -17.3113 -7.7586 -7.7586 -7.7560 -7.7560 -6.3982 -6.3982 -6.3927 -6.3927 -4.5486 -4.5486 -4.5440 -4.5440 -2.9000 -2.9000 -2.8960 -2.8960 -2.3998 -2.3998 -2.3805 -2.3805 -2.0635 -2.0635 -2.0483 -2.0483 4.1211 4.1211 4.1212 4.1212 7.9912 7.9912 7.9944 7.9944 k = 0.0142 0.0246 0.4049 ( 3622 PWs) bands (ev): -19.1604 -19.1604 -19.1603 -19.1603 -17.3077 -17.3077 -17.3077 -17.3077 -7.7614 -7.7614 -7.7588 -7.7588 -6.3960 -6.3960 -6.3906 -6.3906 -4.5485 -4.5485 -4.5440 -4.5440 -2.8903 -2.8903 -2.8871 -2.8871 -2.4051 -2.4051 -2.3860 -2.3860 -2.0705 -2.0705 -2.0555 -2.0555 4.1167 4.1167 4.1168 4.1168 7.9996 7.9996 8.0027 8.0027 k = 0.0071 0.0123 0.4049 ( 3622 PWs) bands (ev): -19.1618 -19.1618 -19.1618 -19.1618 -17.3056 -17.3056 -17.3056 -17.3056 -7.7631 -7.7631 -7.7605 -7.7605 -6.3947 -6.3947 -6.3893 -6.3893 -4.5485 -4.5485 -4.5440 -4.5440 -2.8842 -2.8842 -2.8816 -2.8816 -2.4085 -2.4085 -2.3895 -2.3895 -2.0748 -2.0748 -2.0600 -2.0600 4.1141 4.1141 4.1141 4.1141 8.0047 8.0047 8.0078 8.0078 k = 0.0000 0.0000 0.4049 ( 3610 PWs) bands (ev): -19.1623 -19.1623 -19.1623 -19.1623 -17.3049 -17.3049 -17.3049 -17.3049 -7.7636 -7.7636 -7.7610 -7.7610 -6.3942 -6.3942 -6.3889 -6.3889 -4.5484 -4.5484 -4.5440 -4.5440 -2.8820 -2.8820 -2.8797 -2.8797 -2.4096 -2.4096 -2.3906 -2.3906 -2.0763 -2.0763 -2.0615 -2.0615 4.1132 4.1132 4.1133 4.1133 8.0064 8.0064 8.0096 8.0096 k = 0.0000 0.0000 0.4049 ( 3610 PWs) bands (ev): -19.1623 -19.1623 -19.1623 -19.1623 -17.3049 -17.3049 -17.3049 -17.3049 -7.7636 -7.7636 -7.7610 -7.7610 -6.3942 -6.3942 -6.3889 -6.3889 -4.5484 -4.5484 -4.5440 -4.5440 -2.8820 -2.8820 -2.8797 -2.8797 -2.4096 -2.4096 -2.3906 -2.3906 -2.0763 -2.0763 -2.0615 -2.0615 4.1132 4.1132 4.1133 4.1133 8.0064 8.0064 8.0096 8.0096 k = 0.0000 0.0000 0.3909 ( 3622 PWs) bands (ev): -19.1846 -19.1846 -19.1395 -19.1395 -17.3190 -17.3190 -17.2911 -17.2911 -7.7989 -7.7964 -7.7273 -7.7246 -6.4019 -6.3963 -6.3865 -6.3813 -4.5769 -4.5724 -4.5225 -4.5182 -2.9228 -2.9204 -2.8397 -2.8374 -2.4108 -2.4075 -2.3918 -2.3886 -2.0891 -2.0743 -2.0639 -2.0492 4.0238 4.0239 4.2026 4.2026 7.9862 7.9892 8.0274 8.0307 k = 0.0000 0.0000 0.3770 ( 3622 PWs) bands (ev): -19.2065 -19.2065 -19.1164 -19.1164 -17.3336 -17.3336 -17.2778 -17.2778 -7.8330 -7.8306 -7.6899 -7.6871 -6.4094 -6.4037 -6.3787 -6.3737 -4.6076 -4.6031 -4.4991 -4.4949 -2.9617 -2.9593 -2.7958 -2.7936 -2.4111 -2.4043 -2.3920 -2.3855 -2.1024 -2.0875 -2.0521 -2.0374 3.9346 3.9347 4.2918 4.2919 7.9669 7.9696 8.0492 8.0526 k = 0.0000 0.0000 0.3630 ( 3623 PWs) bands (ev): -19.2279 -19.2279 -19.0929 -19.0929 -17.3486 -17.3486 -17.2650 -17.2650 -7.8660 -7.8637 -7.6515 -7.6485 -6.4167 -6.4108 -6.3708 -6.3660 -4.6407 -4.6361 -4.4783 -4.4742 -2.9988 -2.9962 -2.7506 -2.7485 -2.4104 -2.4003 -2.3913 -2.3816 -2.1161 -2.1011 -2.0409 -2.0262 3.8458 3.8458 4.3807 4.3808 7.9484 7.9510 8.0716 8.0752 k = 0.0000 0.0000 0.3491 ( 3623 PWs) bands (ev): -19.2487 -19.2487 -19.0692 -19.0692 -17.3640 -17.3640 -17.2526 -17.2526 -7.8978 -7.8957 -7.6121 -7.6089 -6.4240 -6.4179 -6.3629 -6.3583 -4.6758 -4.6712 -4.4601 -4.4562 -3.0337 -3.0312 -2.7042 -2.7022 -2.4089 -2.3953 -2.3897 -2.3767 -2.1301 -2.1150 -2.0303 -2.0156 3.7574 3.7574 4.4692 4.4693 7.9309 7.9333 8.0946 8.0984 k = 0.0000 0.0000 0.3351 ( 3635 PWs) bands (ev): -19.2689 -19.2689 -19.0452 -19.0452 -17.3797 -17.3797 -17.2407 -17.2407 -7.9285 -7.9264 -7.5717 -7.5684 -6.4310 -6.4247 -6.3550 -6.3505 -4.7131 -4.7084 -4.4446 -4.4408 -3.0666 -3.0640 -2.6569 -2.6550 -2.4065 -2.3894 -2.3873 -2.3709 -2.1443 -2.1290 -2.0204 -2.0058 3.6696 3.6697 4.5571 4.5571 7.9141 7.9164 8.1182 8.1221 k = 0.0000 0.0000 0.3211 ( 3635 PWs) bands (ev): -19.2886 -19.2886 -19.0210 -19.0210 -17.3957 -17.3957 -17.2293 -17.2293 -7.9579 -7.9560 -7.5305 -7.5270 -6.4379 -6.4314 -6.3471 -6.3428 -4.7521 -4.7475 -4.4317 -4.4280 -3.0972 -3.0946 -2.6088 -2.6071 -2.4034 -2.3841 -2.3825 -2.3642 -2.1586 -2.1432 -2.0112 -1.9966 3.5828 3.5828 4.6442 4.6442 7.8985 7.9006 8.1423 8.1463 k = 0.0000 0.0000 0.3072 ( 3635 PWs) bands (ev): -19.3076 -19.3076 -18.9966 -18.9966 -17.4120 -17.4120 -17.2184 -17.2184 -7.9862 -7.9843 -7.4884 -7.4847 -6.4446 -6.4378 -6.3392 -6.3350 -4.7930 -4.7883 -4.4214 -4.4179 -3.1256 -3.1230 -2.5602 -2.5586 -2.3995 -2.3804 -2.3749 -2.3566 -2.1729 -2.1573 -2.0027 -1.9882 3.4969 3.4969 4.7303 4.7304 7.8837 7.8857 8.1667 8.1709 k = 0.0000 0.0000 0.2932 ( 3581 PWs) bands (ev): -19.3259 -19.3259 -18.9722 -18.9722 -17.4286 -17.4286 -17.2079 -17.2079 -8.0131 -8.0114 -7.4454 -7.4415 -6.4510 -6.4440 -6.3313 -6.3273 -4.8353 -4.8307 -4.4135 -4.4101 -3.1517 -3.1490 -2.5113 -2.5101 -2.3949 -2.3760 -2.3663 -2.3482 -2.1871 -2.1713 -1.9949 -1.9805 3.4123 3.4123 4.8155 4.8156 7.8701 7.8719 8.1918 8.1961 k = 0.0000 0.0000 0.2792 ( 3579 PWs) bands (ev): -19.3436 -19.3436 -18.9478 -18.9478 -17.4453 -17.4453 -17.1980 -17.1980 -8.0389 -8.0373 -7.4018 -7.3977 -6.4573 -6.4499 -6.3236 -6.3197 -4.8792 -4.8745 -4.4080 -4.4048 -3.1756 -3.1729 -2.4625 -2.4621 -2.3896 -2.3713 -2.3568 -2.3390 -2.2010 -2.1850 -1.9879 -1.9736 3.3290 3.3290 4.8993 4.8993 7.8573 7.8589 8.2167 8.2211 k = 0.0000 0.0000 0.2653 ( 3581 PWs) bands (ev): -19.3606 -19.3606 -18.9235 -18.9235 -17.4623 -17.4623 -17.1886 -17.1886 -8.0635 -8.0619 -7.3576 -7.3532 -6.4632 -6.4556 -6.3159 -6.3122 -4.9243 -4.9197 -4.4048 -4.4018 -3.1972 -3.1945 -2.4171 -2.4143 -2.3818 -2.3663 -2.3459 -2.3287 -2.2145 -2.1983 -1.9816 -1.9674 3.2474 3.2474 4.9816 4.9817 7.8454 7.8469 8.2416 8.2461 k = 0.0000 0.0000 0.2513 ( 3581 PWs) bands (ev): -19.3768 -19.3768 -18.8993 -18.8993 -17.4793 -17.4793 -17.1796 -17.1796 -8.0868 -8.0853 -7.3128 -7.3081 -6.4690 -6.4610 -6.3084 -6.3048 -4.9706 -4.9659 -4.4036 -4.4008 -3.2167 -3.2140 -2.3894 -2.3679 -2.3614 -2.3604 -2.3312 -2.3164 -2.2272 -2.2110 -1.9761 -1.9620 3.1676 3.1676 5.0623 5.0624 7.8344 7.8357 8.2665 8.2711 k = 0.0000 0.0000 0.2374 ( 3577 PWs) bands (ev): -19.3923 -19.3923 -18.8753 -18.8753 -17.4963 -17.4963 -17.1712 -17.1712 -8.1089 -8.1075 -7.2675 -7.2626 -6.4744 -6.4661 -6.3010 -6.2976 -5.0178 -5.0131 -4.4043 -4.4017 -3.2341 -3.2315 -2.3810 -2.3569 -2.3354 -2.3290 -2.3010 -2.2974 -2.2383 -2.2228 -1.9712 -1.9574 3.0898 3.0898 5.1412 5.1412 7.8242 7.8255 8.2913 8.2959 k = 0.0000 0.0000 0.2234 ( 3569 PWs) bands (ev): -19.4070 -19.4070 -18.8517 -18.8517 -17.5133 -17.5133 -17.1632 -17.1632 -8.1297 -8.1284 -7.2219 -7.2167 -6.4795 -6.4708 -6.2938 -6.2906 -5.0657 -5.0610 -4.4066 -4.4042 -3.2495 -3.2469 -2.3763 -2.3531 -2.3209 -2.3072 -2.2676 -2.2578 -2.2423 -2.2334 -1.9669 -1.9534 3.0143 3.0143 5.2180 5.2180 7.8149 7.8160 8.3158 8.3204 k = 0.0000 0.0000 0.2094 ( 3581 PWs) bands (ev): -19.4209 -19.4209 -18.8285 -18.8285 -17.5303 -17.5303 -17.1558 -17.1558 -8.1492 -8.1480 -7.1762 -7.1706 -6.4843 -6.4753 -6.2868 -6.2838 -5.1141 -5.1095 -4.4104 -4.4081 -3.2631 -3.2606 -2.3731 -2.3507 -2.3085 -2.2933 -2.2635 -2.2425 -2.2127 -2.2117 -1.9632 -1.9500 2.9414 2.9414 5.2925 5.2925 7.8064 7.8074 8.3398 8.3444 k = 0.0000 0.0000 0.1955 ( 3587 PWs) bands (ev): -19.4339 -19.4339 -18.8058 -18.8058 -17.5470 -17.5470 -17.1488 -17.1488 -8.1676 -8.1664 -7.1305 -7.1245 -6.4888 -6.4793 -6.2801 -6.2773 -5.1629 -5.1583 -4.4153 -4.4132 -3.2749 -3.2725 -2.3714 -2.3503 -2.2964 -2.2810 -2.2684 -2.2498 -2.1694 -2.1683 -1.9598 -1.9471 2.8712 2.8712 5.3644 5.3645 7.7986 7.7995 8.3633 8.3679 k = 0.0000 0.0000 0.1815 ( 3587 PWs) bands (ev): -19.4462 -19.4462 -18.7837 -18.7837 -17.5634 -17.5634 -17.1424 -17.1424 -8.1846 -8.1836 -7.0849 -7.0786 -6.4928 -6.4829 -6.2737 -6.2710 -5.2117 -5.2071 -4.4211 -4.4192 -3.2852 -3.2829 -2.3714 -2.3523 -2.2844 -2.2715 -2.2691 -2.2550 -2.1277 -2.1255 -1.9564 -1.9444 2.8041 2.8041 5.4336 5.4337 7.7915 7.7923 8.3861 8.3906 k = 0.0000 0.0000 0.1675 ( 3595 PWs) bands (ev): -19.4576 -19.4576 -18.7624 -18.7624 -17.5794 -17.5794 -17.1364 -17.1364 -8.2004 -8.1994 -7.0398 -7.0330 -6.4965 -6.4861 -6.2675 -6.2650 -5.2603 -5.2558 -4.4276 -4.4259 -3.2940 -3.2918 -2.3731 -2.3566 -2.2725 -2.2720 -2.2580 -2.2575 -2.0886 -2.0854 -1.9524 -1.9414 2.7403 2.7404 5.4998 5.4998 7.7850 7.7857 8.4081 8.4125 k = 0.0000 0.0000 0.1536 ( 3599 PWs) bands (ev): -19.4682 -19.4681 -18.7419 -18.7419 -17.5950 -17.5950 -17.1309 -17.1309 -8.2149 -8.2140 -6.9954 -6.9882 -6.4997 -6.4888 -6.2617 -6.2594 -5.3083 -5.3039 -4.4346 -4.4330 -3.3015 -3.2995 -2.3764 -2.3628 -2.2704 -2.2609 -2.2588 -2.2460 -2.0536 -2.0489 -1.9466 -1.9373 2.6802 2.6802 5.5625 5.5626 7.7792 7.7799 8.4291 8.4333 k = 0.0000 0.0000 0.1396 ( 3579 PWs) bands (ev): -19.4778 -19.4778 -18.7225 -18.7225 -17.6098 -17.6098 -17.1259 -17.1259 -8.2281 -8.2273 -6.9520 -6.9443 -6.5023 -6.4909 -6.2563 -6.2542 -5.3555 -5.3512 -4.4417 -4.4403 -3.3078 -3.3060 -2.3809 -2.3699 -2.2673 -2.2586 -2.2489 -2.2349 -2.0252 -2.0184 -1.9368 -1.9302 2.6240 2.6240 5.6216 5.6217 7.7741 7.7747 8.4490 8.4531 k = 0.0000 0.0000 0.1257 ( 3577 PWs) bands (ev): -19.4866 -19.4866 -18.7042 -18.7042 -17.6239 -17.6239 -17.1214 -17.1214 -8.2401 -8.2394 -6.9101 -6.9018 -6.5044 -6.4925 -6.2512 -6.2493 -5.4014 -5.3972 -4.4488 -4.4475 -3.3132 -3.3115 -2.3862 -2.3774 -2.2635 -2.2569 -2.2375 -2.2241 -2.0060 -1.9967 -1.9208 -1.9172 2.5719 2.5720 5.6766 5.6767 7.7695 7.7700 8.4676 8.4715 k = 0.0000 0.0000 0.1117 ( 3577 PWs) bands (ev): -19.4945 -19.4945 -18.6873 -18.6872 -17.6371 -17.6371 -17.1174 -17.1174 -8.2508 -8.2502 -6.8701 -6.8614 -6.5058 -6.4936 -6.2466 -6.2449 -5.4455 -5.4414 -4.4557 -4.4546 -3.3176 -3.3161 -2.3918 -2.3849 -2.2594 -2.2544 -2.2266 -2.2139 -1.9957 -1.9849 -1.8993 -1.8978 2.5244 2.5244 5.7272 5.7273 7.7654 7.7658 8.4848 8.4883 k = 0.0000 0.0000 0.0977 ( 3577 PWs) bands (ev): -19.5015 -19.5015 -18.6718 -18.6718 -17.6492 -17.6492 -17.1139 -17.1139 -8.2603 -8.2597 -6.8326 -6.8235 -6.5064 -6.4939 -6.2424 -6.2409 -5.4873 -5.4834 -4.4622 -4.4612 -3.3212 -3.3199 -2.3974 -2.3921 -2.2553 -2.2515 -2.2162 -2.2044 -1.9909 -1.9800 -1.8756 -1.8750 2.4817 2.4817 5.7731 5.7731 7.7618 7.7621 8.5004 8.5036 k = 0.0000 0.0000 0.0838 ( 3583 PWs) bands (ev): -19.5075 -19.5075 -18.6580 -18.6580 -17.6601 -17.6601 -17.1108 -17.1108 -8.2684 -8.2680 -6.7981 -6.7889 -6.5062 -6.4937 -6.2388 -6.2375 -5.5261 -5.5225 -4.4682 -4.4673 -3.3242 -3.3230 -2.4027 -2.3986 -2.2513 -2.2486 -2.2064 -2.1957 -1.9890 -1.9788 -1.8524 -1.8522 2.4439 2.4440 5.8138 5.8138 7.7586 7.7589 8.5142 8.5171 k = 0.0000 0.0000 0.0698 ( 3587 PWs) bands (ev): -19.5127 -19.5127 -18.6459 -18.6459 -17.6697 -17.6697 -17.1082 -17.1082 -8.2753 -8.2750 -6.7674 -6.7583 -6.5050 -6.4930 -6.2356 -6.2345 -5.5611 -5.5578 -4.4734 -4.4728 -3.3265 -3.3255 -2.4075 -2.4043 -2.2478 -2.2458 -2.1975 -2.1881 -1.9886 -1.9795 -1.8314 -1.8313 2.4116 2.4116 5.8490 5.8490 7.7559 7.7561 8.5262 8.5287 k = 0.0000 0.0000 0.0558 ( 3587 PWs) bands (ev): -19.5169 -19.5169 -18.6359 -18.6359 -17.6777 -17.6777 -17.1061 -17.1061 -8.2810 -8.2807 -6.7411 -6.7326 -6.5028 -6.4918 -6.2330 -6.2321 -5.5915 -5.5886 -4.4779 -4.4774 -3.3282 -3.3275 -2.4116 -2.4092 -2.2448 -2.2433 -2.1897 -2.1817 -1.9888 -1.9810 -1.8135 -1.8134 2.3847 2.3847 5.8783 5.8783 7.7537 7.7539 8.5363 8.5383 k = 0.0000 0.0000 0.0419 ( 3581 PWs) bands (ev): -19.5202 -19.5202 -18.6279 -18.6279 -17.6841 -17.6841 -17.1044 -17.1044 -8.2854 -8.2851 -6.7197 -6.7125 -6.4999 -6.4906 -6.2309 -6.2302 -5.6163 -5.6140 -4.4815 -4.4810 -3.3295 -3.3289 -2.4148 -2.4131 -2.2423 -2.2413 -2.1830 -2.1768 -1.9890 -1.9830 -1.7991 -1.7991 2.3636 2.3636 5.9015 5.9015 7.7520 7.7522 8.5443 8.5458 k = 0.0000 0.0000 0.0279 ( 3581 PWs) bands (ev): -19.5226 -19.5226 -18.6221 -18.6221 -17.6888 -17.6888 -17.1033 -17.1032 -8.2885 -8.2883 -6.7038 -6.6985 -6.4965 -6.4898 -6.2293 -6.2289 -5.6347 -5.6331 -4.4840 -4.4838 -3.3304 -3.3300 -2.4171 -2.4160 -2.2405 -2.2398 -2.1778 -2.1735 -1.9891 -1.9849 -1.7886 -1.7886 2.3484 2.3484 5.9183 5.9183 7.7508 7.7509 8.5502 8.5512 k = 0.0000 0.0000 0.0140 ( 3575 PWs) bands (ev): -19.5240 -19.5240 -18.6186 -18.6186 -17.6916 -17.6916 -17.1025 -17.1025 -8.2903 -8.2903 -6.6935 -6.6907 -6.4934 -6.4898 -6.2283 -6.2281 -5.6459 -5.6451 -4.4856 -4.4854 -3.3308 -3.3306 -2.4184 -2.4179 -2.2393 -2.2390 -2.1741 -2.1719 -1.9888 -1.9867 -1.7822 -1.7822 2.3393 2.3393 5.9284 5.9285 7.7501 7.7501 8.5539 8.5544 k = 0.0000 0.0000 0.0000 ( 3575 PWs) bands (ev): -19.5244 -19.5244 -18.6174 -18.6174 -17.6926 -17.6926 -17.1023 -17.1023 -8.2909 -8.2909 -6.6891 -6.6891 -6.4910 -6.4910 -6.2279 -6.2279 -5.6494 -5.6494 -4.4860 -4.4860 -3.3309 -3.3309 -2.4187 -2.4187 -2.2388 -2.2388 -2.1721 -2.1721 -1.9880 -1.9880 -1.7801 -1.7801 2.3362 2.3362 5.9318 5.9318 7.7499 7.7499 8.5552 8.5552 k = 0.0000 0.0000 0.0000 ( 3575 PWs) bands (ev): -19.5244 -19.5244 -18.6174 -18.6174 -17.6926 -17.6926 -17.1023 -17.1023 -8.2909 -8.2909 -6.6891 -6.6891 -6.4910 -6.4910 -6.2279 -6.2279 -5.6494 -5.6494 -4.4860 -4.4860 -3.3309 -3.3309 -2.4187 -2.4187 -2.2388 -2.2388 -2.1721 -2.1721 -1.9880 -1.9880 -1.7801 -1.7801 2.3362 2.3362 5.9318 5.9318 7.7499 7.7499 8.5552 8.5552 k =-0.0122 0.0070 0.0000 ( 3573 PWs) bands (ev): -19.5240 -19.5240 -18.6169 -18.6169 -17.6932 -17.6932 -17.1029 -17.1029 -8.2919 -8.2918 -6.6875 -6.6873 -6.4919 -6.4919 -6.2264 -6.2264 -5.6498 -5.6495 -4.4855 -4.4853 -3.3324 -3.3323 -2.4224 -2.4223 -2.2416 -2.2412 -2.1686 -2.1686 -1.9862 -1.9861 -1.7799 -1.7798 2.3395 2.3395 5.9336 5.9336 7.7481 7.7482 8.5524 8.5528 k =-0.0244 0.0141 0.0000 ( 3579 PWs) bands (ev): -19.5226 -19.5226 -18.6156 -18.6156 -17.6950 -17.6950 -17.1047 -17.1047 -8.2946 -8.2945 -6.6827 -6.6824 -6.4944 -6.4944 -6.2219 -6.2218 -5.6507 -5.6502 -4.4839 -4.4835 -3.3365 -3.3364 -2.4332 -2.4331 -2.2483 -2.2477 -2.1595 -2.1594 -1.9810 -1.9808 -1.7794 -1.7790 2.3493 2.3493 5.9386 5.9386 7.7429 7.7432 8.5444 8.5451 k =-0.0366 0.0211 0.0000 ( 3579 PWs) bands (ev): -19.5204 -19.5204 -18.6135 -18.6135 -17.6981 -17.6981 -17.1078 -17.1078 -8.2991 -8.2990 -6.6746 -6.6741 -6.4984 -6.4984 -6.2145 -6.2144 -5.6521 -5.6513 -4.4810 -4.4804 -3.3434 -3.3432 -2.4505 -2.4504 -2.2567 -2.2559 -2.1469 -2.1468 -1.9728 -1.9726 -1.7783 -1.7779 2.3657 2.3657 5.9471 5.9471 7.7344 7.7348 8.5314 8.5325 k =-0.0488 0.0281 0.0000 ( 3586 PWs) bands (ev): -19.5172 -19.5172 -18.6105 -18.6105 -17.7024 -17.7024 -17.1120 -17.1120 -8.3053 -8.3052 -6.6634 -6.6628 -6.5037 -6.5036 -6.2044 -6.2043 -5.6540 -5.6529 -4.4770 -4.4762 -3.3530 -3.3527 -2.4737 -2.4735 -2.2656 -2.2645 -2.1323 -2.1322 -1.9624 -1.9620 -1.7769 -1.7762 2.3884 2.3884 5.9588 5.9589 7.7227 7.7233 8.5139 8.5153 k =-0.0610 0.0352 0.0000 ( 3590 PWs) bands (ev): -19.5132 -19.5132 -18.6066 -18.6066 -17.7078 -17.7078 -17.1175 -17.1175 -8.3131 -8.3130 -6.6492 -6.6484 -6.5100 -6.5100 -6.1919 -6.1918 -5.6563 -5.6549 -4.4719 -4.4709 -3.3652 -3.3647 -2.5019 -2.5017 -2.2740 -2.2727 -2.1166 -2.1164 -1.9502 -1.9498 -1.7749 -1.7742 2.4173 2.4174 5.9739 5.9740 7.7081 7.7087 8.4924 8.4939 k =-0.0732 0.0422 0.0000 ( 3592 PWs) bands (ev): -19.5083 -19.5083 -18.6019 -18.6019 -17.7145 -17.7145 -17.1241 -17.1241 -8.3223 -8.3222 -6.6321 -6.6312 -6.5172 -6.5172 -6.1772 -6.1771 -5.6590 -5.6574 -4.4657 -4.4646 -3.3798 -3.3793 -2.5344 -2.5343 -2.2817 -2.2802 -2.1001 -2.0999 -1.9370 -1.9366 -1.7724 -1.7716 2.4523 2.4524 5.9923 5.9923 7.6906 7.6913 8.4672 8.4690 k =-0.0854 0.0492 0.0000 ( 3588 PWs) bands (ev): -19.5025 -19.5025 -18.5963 -18.5963 -17.7223 -17.7223 -17.1318 -17.1318 -8.3329 -8.3328 -6.6123 -6.6113 -6.5250 -6.5250 -6.1606 -6.1604 -5.6620 -5.6602 -4.4586 -4.4573 -3.3969 -3.3963 -2.5706 -2.5704 -2.2886 -2.2868 -2.0832 -2.0831 -1.9232 -1.9227 -1.7694 -1.7685 2.4932 2.4932 6.0138 6.0139 7.6705 7.6714 8.4392 8.4410 k =-0.0976 0.0563 0.0000 ( 3588 PWs) bands (ev): -19.4958 -19.4958 -18.5899 -18.5899 -17.7312 -17.7312 -17.1407 -17.1407 -8.3447 -8.3445 -6.5900 -6.5890 -6.5332 -6.5332 -6.1421 -6.1419 -5.6654 -5.6634 -4.4505 -4.4491 -3.4163 -3.4156 -2.6099 -2.6098 -2.2943 -2.2924 -2.0661 -2.0661 -1.9091 -1.9086 -1.7659 -1.7649 2.5396 2.5396 6.0385 6.0386 7.6482 7.6491 8.4085 8.4104 k =-0.1098 0.0633 0.0000 ( 3586 PWs) bands (ev): -19.4883 -19.4883 -18.5827 -18.5827 -17.7412 -17.7412 -17.1507 -17.1507 -8.3575 -8.3573 -6.5657 -6.5648 -6.5415 -6.5413 -6.1220 -6.1218 -5.6691 -5.6668 -4.4415 -4.4400 -3.4377 -3.4370 -2.6519 -2.6518 -2.2991 -2.2969 -2.0492 -2.0491 -1.8950 -1.8944 -1.7617 -1.7607 2.5913 2.5914 6.0663 6.0664 7.6237 7.6246 8.3759 8.3777 k =-0.1220 0.0704 0.0000 ( 3582 PWs) bands (ev): -19.4800 -19.4800 -18.5746 -18.5746 -17.7523 -17.7523 -17.1618 -17.1618 -8.3712 -8.3710 -6.5529 -6.5525 -6.5368 -6.5351 -6.1003 -6.1002 -5.6729 -5.6705 -4.4318 -4.4302 -3.4612 -3.4604 -2.6962 -2.6960 -2.3029 -2.3005 -2.0325 -2.0322 -1.8810 -1.8804 -1.7570 -1.7560 2.6481 2.6481 6.0971 6.0972 7.5973 7.5983 8.3415 8.3432 k =-0.1341 0.0774 0.0000 ( 3572 PWs) bands (ev): -19.4708 -19.4708 -18.5658 -18.5658 -17.7645 -17.7645 -17.1740 -17.1740 -8.3856 -8.3855 -6.5609 -6.5607 -6.5088 -6.5072 -6.0773 -6.0771 -5.6769 -5.6744 -4.4214 -4.4197 -3.4865 -3.4857 -2.7423 -2.7422 -2.3056 -2.3030 -2.0162 -2.0157 -1.8673 -1.8666 -1.7516 -1.7507 2.7096 2.7096 6.1308 6.1309 7.5692 7.5704 8.3056 8.3072 k =-0.1463 0.0844 0.0000 ( 3580 PWs) bands (ev): -19.4609 -19.4609 -18.5562 -18.5561 -17.7776 -17.7776 -17.1871 -17.1871 -8.4007 -8.4005 -6.5700 -6.5697 -6.4784 -6.4767 -6.0529 -6.0527 -5.6810 -5.6784 -4.4103 -4.4086 -3.5136 -3.5127 -2.7901 -2.7900 -2.3074 -2.3046 -2.0004 -1.9996 -1.8538 -1.8532 -1.7456 -1.7448 2.7755 2.7755 6.1673 6.1674 7.5397 7.5408 8.2685 8.2699 k =-0.1585 0.0915 0.0000 ( 3584 PWs) bands (ev): -19.4502 -19.4502 -18.5457 -18.5457 -17.7918 -17.7918 -17.2013 -17.2013 -8.4162 -8.4160 -6.5791 -6.5789 -6.4463 -6.4444 -6.0274 -6.0272 -5.6853 -5.6824 -4.3988 -4.3970 -3.5422 -3.5413 -2.8392 -2.8391 -2.3083 -2.3053 -1.9851 -1.9840 -1.8407 -1.8400 -1.7390 -1.7382 2.8455 2.8455 6.2064 6.2066 7.5088 7.5100 8.2302 8.2314 k =-0.1707 0.0985 0.0000 ( 3584 PWs) bands (ev): -19.4388 -19.4388 -18.5346 -18.5346 -17.8068 -17.8068 -17.2164 -17.2164 -8.4319 -8.4318 -6.5883 -6.5881 -6.4127 -6.4108 -6.0007 -6.0005 -5.6895 -5.6865 -4.3868 -4.3850 -3.5722 -3.5712 -2.8893 -2.8893 -2.3084 -2.3052 -1.9705 -1.9691 -1.8279 -1.8272 -1.7317 -1.7311 2.9193 2.9194 6.2482 6.2483 7.4768 7.4781 8.1911 8.1920 k =-0.1829 0.1055 0.0000 ( 3592 PWs) bands (ev): -19.4267 -19.4267 -18.5227 -18.5227 -17.8226 -17.8226 -17.2324 -17.2324 -8.4480 -8.4478 -6.5975 -6.5973 -6.3780 -6.3760 -5.9730 -5.9727 -5.6937 -5.6907 -4.3744 -4.3727 -3.6034 -3.6025 -2.9404 -2.9403 -2.3078 -2.3044 -1.9566 -1.9548 -1.8155 -1.8148 -1.7238 -1.7234 2.9966 2.9966 6.2924 6.2925 7.4437 7.4450 8.1511 8.1518 k =-0.1951 0.1126 0.0000 ( 3600 PWs) bands (ev): -19.4139 -19.4139 -18.5100 -18.5100 -17.8393 -17.8393 -17.2492 -17.2492 -8.4640 -8.4639 -6.6066 -6.6064 -6.3422 -6.3402 -5.9443 -5.9440 -5.6978 -5.6947 -4.3617 -4.3601 -3.6358 -3.6348 -2.9920 -2.9920 -2.3065 -2.3030 -1.9434 -1.9412 -1.8034 -1.8027 -1.7154 -1.7152 3.0770 3.0771 6.3389 6.3390 7.4095 7.4109 8.1104 8.1108 k =-0.2073 0.1196 0.0000 ( 3600 PWs) bands (ev): -19.4005 -19.4004 -18.4967 -18.4967 -17.8567 -17.8567 -17.2668 -17.2668 -8.4801 -8.4799 -6.6156 -6.6154 -6.3057 -6.3035 -5.9146 -5.9144 -5.7018 -5.6987 -4.3489 -4.3473 -3.6691 -3.6681 -3.0441 -3.0441 -2.3047 -2.3010 -1.9309 -1.9283 -1.7916 -1.7910 -1.7065 -1.7065 3.1603 3.1604 6.3876 6.3878 7.3744 7.3759 8.0694 8.0695 k =-0.2195 0.1266 0.0000 ( 3596 PWs) bands (ev): -19.3864 -19.3864 -18.4827 -18.4827 -17.8748 -17.8748 -17.2852 -17.2852 -8.4960 -8.4959 -6.6244 -6.6242 -6.2684 -6.2662 -5.8842 -5.8839 -5.7057 -5.7025 -4.3359 -4.3344 -3.7033 -3.7023 -3.0964 -3.0963 -2.3023 -2.2986 -1.9190 -1.9161 -1.7802 -1.7796 -1.6974 -1.6972 3.2461 3.2462 6.4383 6.4385 7.3383 7.3399 8.0280 8.0282 k =-0.2317 0.1337 0.0000 ( 3594 PWs) bands (ev): -19.3718 -19.3718 -18.4681 -18.4681 -17.8935 -17.8935 -17.3043 -17.3043 -8.5117 -8.5116 -6.6331 -6.6329 -6.2307 -6.2284 -5.8530 -5.8527 -5.7094 -5.7062 -4.3229 -4.3215 -3.7381 -3.7372 -3.1487 -3.1486 -2.2995 -2.2957 -1.9079 -1.9046 -1.7691 -1.7685 -1.6880 -1.6876 3.3341 3.3342 6.4910 6.4912 7.3011 7.3028 7.9865 7.9870 k =-0.2439 0.1407 0.0000 ( 3596 PWs) bands (ev): -19.3568 -19.3568 -18.4528 -18.4528 -17.9127 -17.9127 -17.3240 -17.3240 -8.5272 -8.5270 -6.6416 -6.6414 -6.1927 -6.1903 -5.8212 -5.8208 -5.7129 -5.7097 -4.3098 -4.3086 -3.7736 -3.7726 -3.2009 -3.2007 -2.2964 -2.2925 -1.8973 -1.8938 -1.7583 -1.7577 -1.6784 -1.6778 3.4241 3.4242 6.5453 6.5455 7.2628 7.2645 7.9454 7.9462 k =-0.2561 0.1477 0.0000 ( 3594 PWs) bands (ev): -19.3412 -19.3412 -18.4370 -18.4370 -17.9323 -17.9323 -17.3444 -17.3444 -8.5422 -8.5421 -6.6499 -6.6497 -6.1545 -6.1521 -5.7889 -5.7884 -5.7162 -5.7130 -4.2969 -4.2958 -3.8094 -3.8084 -3.2528 -3.2526 -2.2930 -2.2891 -1.8873 -1.8835 -1.7478 -1.7473 -1.6687 -1.6679 3.5156 3.5157 6.6012 6.6014 7.2231 7.2250 7.9050 7.9062 k =-0.2683 0.1548 0.0000 ( 3592 PWs) bands (ev): -19.3253 -19.3253 -18.4206 -18.4206 -17.9524 -17.9524 -17.3652 -17.3652 -8.5569 -8.5568 -6.6579 -6.6578 -6.1163 -6.1140 -5.7562 -5.7555 -5.7193 -5.7159 -4.2840 -4.2832 -3.8455 -3.8446 -3.3042 -3.3039 -2.2894 -2.2855 -1.8779 -1.8739 -1.7376 -1.7371 -1.6589 -1.6579 3.6084 3.6085 6.6585 6.6587 7.1820 7.1839 7.8659 7.8673 k =-0.2805 0.1618 0.0000 ( 3598 PWs) bands (ev): -19.3091 -19.3091 -18.4038 -18.4038 -17.9727 -17.9727 -17.3865 -17.3865 -8.5711 -8.5710 -6.6657 -6.6655 -6.0784 -6.0760 -5.7258 -5.7235 -5.7210 -5.7160 -4.2713 -4.2707 -3.8819 -3.8809 -3.3549 -3.3545 -2.2857 -2.2818 -1.8689 -1.8647 -1.7278 -1.7273 -1.6492 -1.6481 3.7022 3.7022 6.7170 6.7172 7.1392 7.1412 7.8283 7.8300 k =-0.2927 0.1689 0.0000 ( 3598 PWs) bands (ev): -19.2926 -19.2926 -18.3865 -18.3865 -17.9932 -17.9932 -17.4081 -17.4081 -8.5847 -8.5846 -6.6732 -6.6731 -6.0408 -6.0384 -5.7249 -5.7228 -5.6887 -5.6883 -4.2589 -4.2585 -3.9182 -3.9173 -3.4048 -3.4043 -2.2818 -2.2780 -1.8604 -1.8561 -1.7183 -1.7178 -1.6396 -1.6384 3.7966 3.7966 6.7764 6.7766 7.0947 7.0967 7.7929 7.7948 k =-0.3049 0.1759 0.0000 ( 3586 PWs) bands (ev): -19.2760 -19.2760 -18.3688 -18.3688 -18.0138 -18.0137 -17.4300 -17.4300 -8.5978 -8.5977 -6.6804 -6.6802 -6.0037 -6.0013 -5.7273 -5.7250 -5.6551 -5.6550 -4.2467 -4.2465 -3.9545 -3.9536 -3.4538 -3.4531 -2.2779 -2.2741 -1.8523 -1.8480 -1.7091 -1.7086 -1.6303 -1.6289 3.8913 3.8913 6.8365 6.8368 7.0483 7.0504 7.7599 7.7621 k =-0.3171 0.1829 0.0000 ( 3594 PWs) bands (ev): -19.2593 -19.2593 -18.3507 -18.3507 -18.0343 -18.0343 -17.4522 -17.4522 -8.6102 -8.6101 -6.6873 -6.6872 -5.9673 -5.9650 -5.7294 -5.7272 -5.6216 -5.6215 -4.2348 -4.2347 -3.9905 -3.9897 -3.5016 -3.5008 -2.2741 -2.2704 -1.8446 -1.8403 -1.7003 -1.6998 -1.6213 -1.6198 3.9859 3.9859 6.8971 6.8974 6.9999 7.0020 7.7298 7.7320 k =-0.3293 0.1900 0.0000 ( 3594 PWs) bands (ev): -19.2426 -19.2426 -18.3325 -18.3325 -18.0547 -18.0547 -17.4744 -17.4744 -8.6220 -8.6219 -6.6938 -6.6937 -5.9318 -5.9296 -5.7313 -5.7292 -5.5882 -5.5881 -4.2235 -4.2231 -4.0261 -4.0254 -3.5480 -3.5472 -2.2702 -2.2667 -1.8374 -1.8331 -1.6918 -1.6914 -1.6126 -1.6111 4.0801 4.0801 6.9480 6.9510 6.9590 6.9596 7.7027 7.7051 k =-0.3415 0.1970 0.0000 ( 3590 PWs) bands (ev): -19.2261 -19.2261 -18.3140 -18.3140 -18.0747 -18.0747 -17.4966 -17.4966 -8.6330 -8.6330 -6.7000 -6.6999 -5.8973 -5.8953 -5.7330 -5.7311 -5.5552 -5.5551 -4.2125 -4.2118 -4.0611 -4.0605 -3.5930 -3.5920 -2.2665 -2.2631 -1.8305 -1.8263 -1.6838 -1.6834 -1.6043 -1.6029 4.1735 4.1735 6.8973 6.8994 7.0193 7.0193 7.6789 7.6813 k =-0.3537 0.2040 0.0000 ( 3582 PWs) bands (ev): -19.2098 -19.2098 -18.2955 -18.2955 -18.0944 -18.0944 -17.5187 -17.5187 -8.6434 -8.6433 -6.7058 -6.7057 -5.8641 -5.8623 -5.7344 -5.7327 -5.5227 -5.5225 -4.2019 -4.2009 -4.0953 -4.0948 -3.6364 -3.6352 -2.2629 -2.2596 -1.8240 -1.8199 -1.6762 -1.6758 -1.5965 -1.5951 4.2657 4.2657 6.8437 6.8457 7.0798 7.0800 7.6584 7.6608 k =-0.3659 0.2111 0.0000 ( 3586 PWs) bands (ev): -19.1939 -19.1939 -18.2771 -18.2771 -18.1134 -18.1134 -17.5406 -17.5406 -8.6530 -8.6530 -6.7113 -6.7112 -5.8324 -5.8309 -5.7355 -5.7342 -5.4909 -5.4908 -4.1918 -4.1903 -4.1285 -4.1282 -3.6779 -3.6766 -2.2595 -2.2564 -1.8179 -1.8140 -1.6691 -1.6687 -1.5893 -1.5878 4.3560 4.3560 6.7889 6.7908 7.1398 7.1399 7.6412 7.6436 k =-0.3780 0.2181 0.0000 ( 3584 PWs) bands (ev): -19.1785 -19.1785 -18.2588 -18.2588 -18.1317 -18.1317 -17.5620 -17.5620 -8.6619 -8.6618 -6.7163 -6.7162 -5.8024 -5.8013 -5.7363 -5.7355 -5.4601 -5.4600 -4.1829 -4.1802 -4.1602 -4.1595 -3.7174 -3.7159 -2.2562 -2.2533 -1.8123 -1.8086 -1.6624 -1.6620 -1.5825 -1.5811 4.4441 4.4441 6.7333 6.7351 7.1988 7.1989 7.6271 7.6294 k =-0.3902 0.2251 0.0000 ( 3584 PWs) bands (ev): -19.1639 -19.1639 -18.2409 -18.2409 -18.1491 -18.1491 -17.5828 -17.5828 -8.6699 -8.6699 -6.7208 -6.7207 -5.7744 -5.7743 -5.7365 -5.7363 -5.4306 -5.4304 -4.1938 -4.1917 -4.1696 -4.1694 -3.7547 -3.7531 -2.2531 -2.2505 -1.8070 -1.8036 -1.6563 -1.6559 -1.5764 -1.5751 4.5293 4.5293 6.6776 6.6793 7.2563 7.2564 7.6159 7.6181 k =-0.4024 0.2322 0.0000 ( 3588 PWs) bands (ev): -19.1501 -19.1501 -18.2236 -18.2236 -18.1654 -18.1654 -17.6028 -17.6028 -8.6772 -8.6771 -6.7250 -6.7249 -5.7522 -5.7490 -5.7369 -5.7332 -5.4026 -5.4024 -4.2217 -4.2206 -4.1612 -4.1600 -3.7896 -3.7879 -2.2503 -2.2480 -1.8023 -1.7991 -1.6507 -1.6504 -1.5708 -1.5696 4.6107 4.6107 6.6225 6.6240 7.3119 7.3120 7.6073 7.6094 k =-0.4146 0.2392 0.0000 ( 3592 PWs) bands (ev): -19.1373 -19.1373 -18.2071 -18.2071 -18.1804 -18.1804 -17.6217 -17.6217 -8.6836 -8.6836 -6.7286 -6.7286 -5.7436 -5.7394 -5.7236 -5.7190 -5.3765 -5.3764 -4.2485 -4.2476 -4.1523 -4.1507 -3.8219 -3.8200 -2.2478 -2.2457 -1.7980 -1.7952 -1.6457 -1.6454 -1.5658 -1.5647 4.6876 4.6876 6.5689 6.5703 7.3652 7.3653 7.6011 7.6029 k =-0.4268 0.2462 0.0000 ( 3600 PWs) bands (ev): -19.1258 -19.1258 -18.1940 -18.1939 -18.1916 -18.1916 -17.6392 -17.6392 -8.6892 -8.6892 -6.7319 -6.7318 -5.7424 -5.7397 -5.7028 -5.6998 -5.3527 -5.3525 -4.2729 -4.2722 -4.1435 -4.1417 -3.8514 -3.8494 -2.2455 -2.2437 -1.7942 -1.7917 -1.6413 -1.6410 -1.5615 -1.5605 4.7588 4.7589 6.5179 6.5191 7.4157 7.4157 7.5968 7.5984 k =-0.4390 0.2533 0.0000 ( 3600 PWs) bands (ev): -19.1156 -19.1156 -18.2058 -18.2058 -18.1776 -18.1776 -17.6551 -17.6551 -8.6940 -8.6940 -6.7346 -6.7346 -5.7422 -5.7403 -5.6845 -5.6823 -5.3316 -5.3314 -4.2946 -4.2940 -4.1351 -4.1331 -3.8776 -3.8756 -2.2436 -2.2420 -1.7909 -1.7888 -1.6375 -1.6373 -1.5578 -1.5569 4.8231 4.8232 6.4706 6.4716 7.4627 7.4627 7.5941 7.5955 k =-0.4512 0.2603 0.0000 ( 3592 PWs) bands (ev): -19.1070 -19.1070 -18.2157 -18.2157 -18.1653 -18.1653 -17.6688 -17.6688 -8.6979 -8.6978 -6.7368 -6.7368 -5.7422 -5.7408 -5.6692 -5.6675 -5.3135 -5.3133 -4.3131 -4.3126 -4.1271 -4.1252 -3.9004 -3.8984 -2.2419 -2.2406 -1.7881 -1.7864 -1.6344 -1.6342 -1.5547 -1.5540 4.8792 4.8792 6.4286 6.4295 7.5058 7.5059 7.5926 7.5938 k =-0.4634 0.2674 0.0000 ( 3578 PWs) bands (ev): -19.1001 -19.1001 -18.2237 -18.2237 -18.1552 -18.1552 -17.6801 -17.6801 -8.7009 -8.7009 -6.7386 -6.7385 -5.7422 -5.7412 -5.6569 -5.6557 -5.2989 -5.2987 -4.3279 -4.3276 -4.1199 -4.1183 -3.9190 -3.9173 -2.2406 -2.2396 -1.7859 -1.7846 -1.6319 -1.6318 -1.5522 -1.5517 4.9253 4.9253 6.3935 6.3942 7.5444 7.5445 7.5920 7.5929 k =-0.4756 0.2744 0.0000 ( 3580 PWs) bands (ev): -19.0951 -19.0951 -18.2295 -18.2295 -18.1476 -18.1476 -17.6885 -17.6885 -8.7031 -8.7030 -6.7398 -6.7398 -5.7422 -5.7415 -5.6480 -5.6472 -5.2881 -5.2880 -4.3389 -4.3386 -4.1140 -4.1127 -3.9331 -3.9318 -2.2395 -2.2389 -1.7842 -1.7834 -1.6301 -1.6300 -1.5505 -1.5501 4.9597 4.9598 6.3669 6.3673 7.5773 7.5775 7.5920 7.5924 k =-0.4878 0.2814 0.0000 ( 3576 PWs) bands (ev): -19.0920 -19.0920 -18.2330 -18.2330 -18.1429 -18.1429 -17.6937 -17.6937 -8.7044 -8.7044 -6.7406 -6.7406 -5.7421 -5.7418 -5.6425 -5.6421 -5.2815 -5.2815 -4.3455 -4.3454 -4.1099 -4.1092 -3.9417 -3.9410 -2.2389 -2.2385 -1.7831 -1.7827 -1.6290 -1.6290 -1.5494 -1.5492 4.9812 4.9812 6.3503 6.3505 7.5915 7.5919 7.6031 7.6031 k =-0.5000 0.2885 0.0000 ( 3566 PWs) bands (ev): -19.0910 -19.0910 -18.2342 -18.2342 -18.1413 -18.1413 -17.6954 -17.6954 -8.7048 -8.7048 -6.7408 -6.7408 -5.7420 -5.7420 -5.6405 -5.6405 -5.2793 -5.2793 -4.3477 -4.3477 -4.1082 -4.1082 -3.9444 -3.9444 -2.2385 -2.2385 -1.7826 -1.7826 -1.6287 -1.6287 -1.5490 -1.5490 4.9885 4.9885 6.3447 6.3447 7.5918 7.5918 7.6137 7.6137 k =-0.5000 0.2885 0.0000 ( 3566 PWs) bands (ev): -19.0910 -19.0910 -18.2342 -18.2342 -18.1413 -18.1413 -17.6954 -17.6954 -8.7048 -8.7048 -6.7408 -6.7408 -5.7420 -5.7420 -5.6405 -5.6405 -5.2793 -5.2793 -4.3477 -4.3477 -4.1082 -4.1082 -3.9444 -3.9444 -2.2385 -2.2385 -1.7826 -1.7826 -1.6287 -1.6287 -1.5490 -1.5490 4.9885 4.9885 6.3447 6.3447 7.5918 7.5918 7.6137 7.6137 k =-0.4931 0.3005-0.0000 ( 3576 PWs) bands (ev): -19.0904 -19.0904 -18.2348 -18.2348 -18.1409 -18.1409 -17.6961 -17.6961 -8.7039 -8.7038 -6.7421 -6.7420 -5.7450 -5.7447 -5.6393 -5.6391 -5.2799 -5.2792 -4.3487 -4.3479 -4.1055 -4.1049 -3.9440 -3.9424 -2.2393 -2.2385 -1.7837 -1.7829 -1.6283 -1.6277 -1.5498 -1.5497 4.9904 4.9905 6.3426 6.3429 7.5899 7.5902 7.6116 7.6117 k =-0.4861 0.3126-0.0000 ( 3584 PWs) bands (ev): -19.0886 -19.0886 -18.2365 -18.2365 -18.1397 -18.1397 -17.6979 -17.6979 -8.7011 -8.7009 -6.7459 -6.7457 -5.7536 -5.7530 -5.6353 -5.6350 -5.2810 -5.2796 -4.3507 -4.3492 -4.0969 -4.0956 -3.9410 -3.9379 -2.2408 -2.2392 -1.7860 -1.7845 -1.6266 -1.6254 -1.5521 -1.5519 4.9962 4.9963 6.3366 6.3374 7.5845 7.5850 7.6057 7.6059 k =-0.4792 0.3246-0.0000 ( 3588 PWs) bands (ev): -19.0856 -19.0856 -18.2395 -18.2395 -18.1376 -18.1376 -17.7010 -17.7010 -8.6964 -8.6961 -6.7521 -6.7518 -5.7678 -5.7669 -5.6288 -5.6283 -5.2824 -5.2803 -4.3541 -4.3519 -4.0824 -4.0806 -3.9355 -3.9310 -2.2430 -2.2406 -1.7896 -1.7873 -1.6237 -1.6219 -1.5559 -1.5556 5.0060 5.0062 6.3270 6.3281 7.5758 7.5766 7.5961 7.5964 k =-0.4722 0.3366-0.0000 ( 3606 PWs) bands (ev): -19.0815 -19.0815 -18.2436 -18.2436 -18.1347 -18.1347 -17.7053 -17.7053 -8.6898 -8.6894 -6.7605 -6.7600 -5.7872 -5.7861 -5.6201 -5.6194 -5.2838 -5.2811 -4.3588 -4.3561 -4.0623 -4.0599 -3.9277 -3.9217 -2.2457 -2.2426 -1.7944 -1.7914 -1.6197 -1.6173 -1.5613 -1.5608 5.0196 5.0198 6.3139 6.3153 7.5642 7.5651 7.5832 7.5837 k =-0.4653 0.3487-0.0000 ( 3604 PWs) bands (ev): -19.0761 -19.0761 -18.2488 -18.2488 -18.1310 -18.1310 -17.7107 -17.7107 -8.6814 -8.6808 -6.7708 -6.7702 -5.8115 -5.8101 -5.6095 -5.6086 -5.2848 -5.2815 -4.3653 -4.3620 -4.0368 -4.0339 -3.9175 -3.9103 -2.2487 -2.2448 -1.8002 -1.7966 -1.6148 -1.6118 -1.5680 -1.5674 5.0369 5.0372 6.2974 6.2992 7.5500 7.5511 7.5676 7.5682 k =-0.4583 0.3607-0.0000 ( 3604 PWs) bands (ev): -19.0696 -19.0696 -18.2552 -18.2552 -18.1264 -18.1264 -17.7174 -17.7173 -8.6711 -8.6704 -6.7828 -6.7821 -5.8403 -5.8387 -5.5976 -5.5964 -5.2849 -5.2812 -4.3737 -4.3700 -4.0063 -4.0029 -3.9052 -3.8969 -2.2519 -2.2473 -1.8070 -1.8027 -1.6092 -1.6057 -1.5762 -1.5753 5.0578 5.0582 6.2780 6.2801 7.5334 7.5347 7.5498 7.5505 k =-0.4514 0.3728-0.0000 ( 3596 PWs) bands (ev): -19.0619 -19.0619 -18.2628 -18.2628 -18.1211 -18.1211 -17.7251 -17.7251 -8.6590 -8.6582 -6.7961 -6.7954 -5.8732 -5.8714 -5.5850 -5.5835 -5.2835 -5.2795 -4.3843 -4.3803 -3.9710 -3.9671 -3.8910 -3.8817 -2.2550 -2.2497 -1.8147 -1.8098 -1.6031 -1.5996 -1.5858 -1.5842 5.0822 5.0826 6.2558 6.2582 7.5148 7.5163 7.5303 7.5312 k =-0.4444 0.3848-0.0000 ( 3592 PWs) bands (ev): -19.0530 -19.0530 -18.2715 -18.2715 -18.1149 -18.1149 -17.7339 -17.7339 -8.6452 -8.6443 -6.8105 -6.8097 -5.9098 -5.9078 -5.5724 -5.5705 -5.2801 -5.2759 -4.3974 -4.3931 -3.9314 -3.9271 -3.8752 -3.8649 -2.2578 -2.2519 -1.8232 -1.8178 -1.5986 -1.5969 -1.5966 -1.5890 5.1098 5.1103 6.2313 6.2339 7.4942 7.4958 7.5097 7.5107 k =-0.4375 0.3969-0.0000 ( 3600 PWs) bands (ev): -19.0430 -19.0430 -18.2815 -18.2814 -18.1080 -18.1080 -17.7437 -17.7437 -8.6297 -8.6286 -6.8256 -6.8248 -5.9496 -5.9475 -5.5605 -5.5580 -5.2739 -5.2697 -4.4130 -4.4086 -3.8878 -3.8831 -3.8579 -3.8468 -2.2603 -2.2538 -1.8325 -1.8265 -1.6093 -1.6092 -1.5901 -1.5834 5.1405 5.1411 6.2047 6.2075 7.4713 7.4731 7.4886 7.4896 k =-0.4305 0.4089-0.0000 ( 3594 PWs) bands (ev): -19.0318 -19.0318 -18.2925 -18.2925 -18.1002 -18.1002 -17.7546 -17.7546 -8.6125 -8.6113 -6.8412 -6.8403 -5.9922 -5.9900 -5.5499 -5.5468 -5.2643 -5.2603 -4.4314 -4.4270 -3.8410 -3.8396 -3.8353 -3.8273 -2.2622 -2.2550 -1.8424 -1.8360 -1.6228 -1.6225 -1.5835 -1.5765 5.1741 5.1748 6.1764 6.1794 7.4458 7.4477 7.4676 7.4687 k =-0.4236 0.4210-0.0000 ( 3594 PWs) bands (ev): -19.0195 -19.0195 -18.3047 -18.3047 -18.0917 -18.0917 -17.7664 -17.7663 -8.5937 -8.5925 -6.8570 -6.8560 -6.0373 -6.0350 -5.5410 -5.5373 -5.2510 -5.2472 -4.4527 -4.4483 -3.8201 -3.8087 -3.7891 -3.7846 -2.2634 -2.2557 -1.8529 -1.8460 -1.6377 -1.6372 -1.5770 -1.5695 5.2103 5.2110 6.1468 6.1500 7.4166 7.4187 7.4471 7.4483 k =-0.4166 0.4330-0.0000 ( 3602 PWs) bands (ev): -19.0062 -19.0062 -18.3180 -18.3180 -18.0824 -18.0824 -17.7790 -17.7790 -8.5734 -8.5720 -6.8726 -6.8716 -6.0844 -6.0820 -5.5342 -5.5299 -5.2337 -5.2302 -4.4769 -4.4726 -3.8001 -3.7880 -3.7360 -3.7309 -2.2639 -2.2557 -1.8639 -1.8566 -1.6538 -1.6532 -1.5708 -1.5627 5.2489 5.2497 6.1162 6.1196 7.3825 7.3847 7.4277 7.4289 k =-0.4097 0.4451-0.0000 ( 3594 PWs) bands (ev): -18.9917 -18.9917 -18.3325 -18.3325 -18.0724 -18.0724 -17.7925 -17.7925 -8.5516 -8.5502 -6.8879 -6.8869 -6.1333 -6.1308 -5.5295 -5.5244 -5.2124 -5.2092 -4.5042 -4.5000 -3.7797 -3.7671 -3.6800 -3.6747 -2.2637 -2.2550 -1.8753 -1.8676 -1.6710 -1.6703 -1.5649 -1.5563 5.2897 5.2905 6.0850 6.0885 7.3423 7.3447 7.4099 7.4111 k =-0.4027 0.4571-0.0000 ( 3590 PWs) bands (ev): -18.9761 -18.9761 -18.3480 -18.3480 -18.0616 -18.0616 -17.8067 -17.8067 -8.5285 -8.5269 -6.9026 -6.9016 -6.1835 -6.1810 -5.5266 -5.5209 -5.1875 -5.1846 -4.5344 -4.5304 -3.7589 -3.7461 -3.6218 -3.6163 -2.2629 -2.2537 -1.8870 -1.8790 -1.6893 -1.6885 -1.5595 -1.5503 5.3322 5.3331 6.0534 6.0571 7.2953 7.2978 7.3942 7.3954 k =-0.3958 0.4692-0.0000 ( 3580 PWs) bands (ev): -18.9595 -18.9595 -18.3646 -18.3646 -18.0501 -18.0501 -17.8216 -17.8216 -8.5040 -8.5022 -6.9165 -6.9155 -6.2349 -6.2323 -5.5252 -5.5190 -5.1592 -5.1567 -4.5677 -4.5639 -3.7381 -3.7249 -3.5618 -3.5561 -2.2615 -2.2519 -1.8989 -1.8905 -1.7086 -1.7077 -1.5546 -1.5448 5.3763 5.3772 6.0219 6.0256 7.2418 7.2444 7.3809 7.3821 k =-0.3888 0.4812-0.0000 ( 3576 PWs) bands (ev): -18.9419 -18.9418 -18.3823 -18.3823 -18.0380 -18.0380 -17.8372 -17.8372 -8.4782 -8.4763 -6.9295 -6.9285 -6.2872 -6.2846 -5.5250 -5.5182 -5.1281 -5.1258 -4.6039 -4.6003 -3.7172 -3.7039 -3.5002 -3.4943 -2.2598 -2.2498 -1.9107 -1.9021 -1.7288 -1.7278 -1.5503 -1.5400 5.4216 5.4226 5.9906 5.9945 7.1820 7.1846 7.3704 7.3716 k =-0.3819 0.4932-0.0000 ( 3572 PWs) bands (ev): -18.9232 -18.9232 -18.4011 -18.4011 -18.0251 -18.0251 -17.8534 -17.8534 -8.4513 -8.4493 -6.9413 -6.9404 -6.3401 -6.3374 -5.5257 -5.5184 -5.0945 -5.0923 -4.6429 -4.6396 -3.6964 -3.6829 -3.4374 -3.4313 -2.2580 -2.2477 -1.9224 -1.9136 -1.7498 -1.7488 -1.5467 -1.5359 5.4679 5.4690 5.9600 5.9638 7.1166 7.1192 7.3630 7.3643 k =-0.3749 0.5053-0.0000 ( 3570 PWs) bands (ev): -18.9036 -18.9036 -18.4208 -18.4208 -18.0116 -18.0116 -17.8701 -17.8701 -8.4232 -8.4211 -6.9520 -6.9510 -6.3934 -6.3908 -5.5269 -5.5192 -5.0586 -5.0567 -4.6847 -4.6816 -3.6759 -3.6622 -3.3736 -3.3675 -2.2563 -2.2458 -1.9337 -1.9248 -1.7716 -1.7705 -1.5438 -1.5326 5.5149 5.5160 5.9301 5.9340 7.0461 7.0486 7.3592 7.3604 k =-0.3680 0.5173-0.0000 ( 3558 PWs) bands (ev): -18.8830 -18.8830 -18.4416 -18.4415 -17.9974 -17.9974 -17.8873 -17.8873 -8.3941 -8.3918 -6.9612 -6.9602 -6.4470 -6.4444 -5.5284 -5.5204 -5.0209 -5.0190 -4.7291 -4.7262 -3.6556 -3.6418 -3.3093 -3.3031 -2.2549 -2.2444 -1.9445 -1.9357 -1.7940 -1.7929 -1.5417 -1.5300 5.5623 5.5635 5.9013 5.9053 6.9710 6.9734 7.3591 7.3604 k =-0.3610 0.5294-0.0000 ( 3556 PWs) bands (ev): -18.8614 -18.8614 -18.4632 -18.4632 -17.9826 -17.9826 -17.9049 -17.9049 -8.3640 -8.3616 -6.9690 -6.9680 -6.5007 -6.4981 -5.5301 -5.5218 -4.9815 -4.9797 -4.7759 -4.7732 -3.6356 -3.6218 -3.2448 -3.2384 -2.2541 -2.2438 -1.9545 -1.9459 -1.8170 -1.8159 -1.5405 -1.5284 5.6099 5.6111 5.8738 5.8778 6.8916 6.8940 7.3630 7.3643 k =-0.3541 0.5414-0.0000 ( 3563 PWs) bands (ev): -18.8390 -18.8390 -18.4858 -18.4858 -17.9671 -17.9671 -17.9229 -17.9229 -8.3330 -8.3305 -6.9752 -6.9743 -6.5544 -6.5517 -5.5318 -5.5232 -4.9407 -4.9390 -4.8249 -4.8225 -3.6162 -3.6022 -3.1803 -3.1738 -2.2542 -2.2443 -1.9635 -1.9554 -1.8404 -1.8393 -1.5403 -1.5277 5.6574 5.6587 5.8478 5.8518 6.8084 6.8107 7.3712 7.3724 k =-0.3471 0.5535-0.0000 ( 3565 PWs) bands (ev): -18.8157 -18.8157 -18.5092 -18.5092 -17.9511 -17.9511 -17.9412 -17.9412 -8.3012 -8.2985 -6.9799 -6.9790 -6.6078 -6.6052 -5.5335 -5.5246 -4.8988 -4.8973 -4.8756 -4.8735 -3.5972 -3.5831 -3.1162 -3.1096 -2.2553 -2.2461 -1.9715 -1.9641 -1.8642 -1.8629 -1.5409 -1.5280 5.7047 5.7061 5.8235 5.8274 6.7218 6.7239 7.3837 7.3849 k =-0.3402 0.5655-0.0000 ( 3559 PWs) bands (ev): -18.7916 -18.7916 -18.5334 -18.5334 -17.9598 -17.9597 -17.9346 -17.9346 -8.2686 -8.2658 -6.9829 -6.9820 -6.6610 -6.6583 -5.5350 -5.5259 -4.9294 -4.9274 -4.8547 -4.8531 -3.5790 -3.5647 -3.0529 -3.0461 -2.2576 -2.2492 -1.9784 -1.9718 -1.8880 -1.8868 -1.5426 -1.5293 5.7518 5.7530 5.8012 5.8049 6.6320 6.6340 7.4001 7.4017 k =-0.3332 0.5776-0.0000 ( 3563 PWs) bands (ev): -18.7667 -18.7667 -18.5583 -18.5583 -17.9786 -17.9786 -17.9175 -17.9175 -8.2353 -8.2323 -6.9843 -6.9834 -6.7137 -6.7111 -5.5363 -5.5270 -4.9840 -4.9822 -4.8103 -4.8086 -3.5614 -3.5470 -2.9906 -2.9837 -2.2611 -2.2539 -1.9841 -1.9786 -1.9118 -1.9106 -1.5453 -1.5317 5.7798 5.7842 5.7986 5.8007 6.5393 6.5412 7.4061 7.4084 k =-0.3332 0.5776-0.0000 ( 3563 PWs) bands (ev): -18.7667 -18.7667 -18.5583 -18.5583 -17.9786 -17.9786 -17.9175 -17.9175 -8.2353 -8.2323 -6.9843 -6.9834 -6.7137 -6.7111 -5.5363 -5.5270 -4.9840 -4.9822 -4.8103 -4.8086 -3.5614 -3.5470 -2.9906 -2.9837 -2.2611 -2.2539 -1.9841 -1.9786 -1.9118 -1.9106 -1.5453 -1.5317 5.7798 5.7842 5.7986 5.8007 6.5393 6.5412 7.4061 7.4084 k =-0.3332 0.5776 0.0140 ( 3561 PWs) bands (ev): -18.7664 -18.7664 -18.5584 -18.5584 -17.9786 -17.9786 -17.9176 -17.9176 -8.2348 -8.2318 -6.9909 -6.9900 -6.7067 -6.7041 -5.5361 -5.5268 -4.9847 -4.9829 -4.8108 -4.8092 -3.5609 -3.5465 -2.9911 -2.9842 -2.2604 -2.2531 -1.9851 -1.9797 -1.9108 -1.9097 -1.5456 -1.5320 5.7716 5.7771 5.8050 5.8098 6.5397 6.5417 7.3981 7.4003 k =-0.3332 0.5776 0.0279 ( 3564 PWs) bands (ev): -18.7658 -18.7658 -18.5585 -18.5585 -17.9789 -17.9789 -17.9181 -17.9181 -8.2332 -8.2303 -7.0090 -7.0079 -6.6873 -6.6847 -5.5357 -5.5264 -4.9869 -4.9850 -4.8126 -4.8109 -3.5594 -3.5450 -2.9927 -2.9857 -2.2582 -2.2509 -1.9879 -1.9827 -1.9081 -1.9071 -1.5464 -1.5327 5.7589 5.7644 5.8176 5.8230 6.5410 6.5429 7.3848 7.3869 k =-0.3332 0.5776 0.0419 ( 3566 PWs) bands (ev): -18.7647 -18.7647 -18.5588 -18.5587 -17.9792 -17.9792 -17.9188 -17.9188 -8.2306 -8.2277 -7.0350 -7.0337 -6.6592 -6.6566 -5.5351 -5.5258 -4.9904 -4.9885 -4.8155 -4.8138 -3.5569 -3.5425 -2.9954 -2.9881 -2.2546 -2.2474 -1.9921 -1.9872 -1.9042 -1.9033 -1.5477 -1.5340 5.7460 5.7514 5.8309 5.8365 6.5430 6.5451 7.3700 7.3721 k =-0.3332 0.5776 0.0558 ( 3570 PWs) bands (ev): -18.7632 -18.7631 -18.5591 -18.5591 -17.9797 -17.9797 -17.9198 -17.9198 -8.2270 -8.2241 -7.0657 -7.0643 -6.6254 -6.6228 -5.5341 -5.5249 -4.9953 -4.9934 -4.8196 -4.8179 -3.5534 -3.5390 -2.9990 -2.9915 -2.2497 -2.2424 -1.9973 -1.9926 -1.8996 -1.8986 -1.5495 -1.5358 5.7333 5.7387 5.8441 5.8498 6.5459 6.5480 7.3541 7.3562 k =-0.3332 0.5776 0.0698 ( 3564 PWs) bands (ev): -18.7612 -18.7612 -18.5596 -18.5595 -17.9804 -17.9804 -17.9211 -17.9211 -8.2224 -8.2194 -7.0991 -7.0976 -6.5881 -6.5854 -5.5329 -5.5237 -5.0015 -4.9996 -4.8248 -4.8230 -3.5490 -3.5345 -3.0036 -2.9958 -2.2435 -2.2362 -2.0030 -1.9986 -1.8946 -1.8933 -1.5518 -1.5381 5.7213 5.7265 5.8568 5.8626 6.5496 6.5518 7.3371 7.3391 k =-0.3332 0.5776 0.0838 ( 3558 PWs) bands (ev): -18.7588 -18.7588 -18.5601 -18.5601 -17.9811 -17.9811 -17.9227 -17.9227 -8.2167 -8.2138 -7.1340 -7.1325 -6.5484 -6.5457 -5.5315 -5.5222 -5.0090 -5.0071 -4.8312 -4.8293 -3.5436 -3.5290 -3.0090 -3.0009 -2.2362 -2.2288 -2.0091 -2.0049 -1.8894 -1.8878 -1.5546 -1.5409 5.7100 5.7152 5.8688 5.8747 6.5542 6.5564 7.3188 7.3209 k =-0.3332 0.5776 0.0977 ( 3556 PWs) bands (ev): -18.7560 -18.7560 -18.5608 -18.5608 -17.9820 -17.9820 -17.9245 -17.9245 -8.2101 -8.2072 -7.1697 -7.1681 -6.5072 -6.5045 -5.5297 -5.5205 -5.0178 -5.0159 -4.8386 -4.8367 -3.5374 -3.5227 -3.0153 -3.0069 -2.2278 -2.2204 -2.0153 -2.0113 -1.8843 -1.8824 -1.5579 -1.5442 5.6996 5.7047 5.8800 5.8859 6.5595 6.5618 7.2994 7.3014 k =-0.3332 0.5776 0.1117 ( 3558 PWs) bands (ev): -18.7529 -18.7528 -18.5617 -18.5616 -17.9829 -17.9829 -17.9265 -17.9265 -8.2025 -8.1996 -7.2056 -7.2040 -6.4649 -6.4622 -5.5278 -5.5185 -5.0277 -5.0258 -4.8471 -4.8452 -3.5303 -3.5156 -3.0224 -3.0136 -2.2185 -2.2110 -2.0214 -2.0175 -1.8793 -1.8770 -1.5617 -1.5480 5.6901 5.6952 5.8901 5.8961 6.5656 6.5680 7.2787 7.2807 k =-0.3332 0.5776 0.1257 ( 3568 PWs) bands (ev): -18.7493 -18.7493 -18.5627 -18.5626 -17.9839 -17.9839 -17.9288 -17.9288 -8.1939 -8.1910 -7.2416 -7.2399 -6.4220 -6.4191 -5.5255 -5.5163 -5.0386 -5.0368 -4.8567 -4.8548 -3.5224 -3.5076 -3.0302 -3.0210 -2.2086 -2.2009 -2.0272 -2.0234 -1.8745 -1.8718 -1.5660 -1.5523 5.6818 5.6868 5.8991 5.9051 6.5724 6.5749 7.2570 7.2589 k =-0.3332 0.5776 0.1396 ( 3570 PWs) bands (ev): -18.7454 -18.7454 -18.5638 -18.5638 -17.9850 -17.9850 -17.9313 -17.9312 -8.1844 -8.1815 -7.2773 -7.2756 -6.3786 -6.3756 -5.5231 -5.5139 -5.0506 -5.0488 -4.8673 -4.8653 -3.5137 -3.4989 -3.0387 -3.0290 -2.1980 -2.1902 -2.0327 -2.0289 -1.8700 -1.8668 -1.5708 -1.5570 5.6746 5.6796 5.9068 5.9128 6.5800 6.5825 7.2342 7.2361 k =-0.3332 0.5776 0.1536 ( 3578 PWs) bands (ev): -18.7411 -18.7411 -18.5652 -18.5651 -17.9861 -17.9861 -17.9339 -17.9339 -8.1740 -8.1711 -7.3128 -7.3110 -6.3349 -6.3318 -5.5204 -5.5112 -5.0634 -5.0616 -4.8789 -4.8769 -3.5044 -3.4895 -3.0477 -3.0377 -2.1871 -2.1791 -2.0377 -2.0340 -1.8657 -1.8620 -1.5759 -1.5622 5.6686 5.6735 5.9131 5.9191 6.5883 6.5908 7.2107 7.2125 k =-0.3332 0.5776 0.1675 ( 3584 PWs) bands (ev): -18.7365 -18.7365 -18.5667 -18.5667 -17.9872 -17.9872 -17.9367 -17.9367 -8.1626 -8.1598 -7.3478 -7.3460 -6.2911 -6.2879 -5.5176 -5.5084 -5.0769 -5.0752 -4.8915 -4.8895 -3.4944 -3.4794 -3.0573 -3.0468 -2.1760 -2.1678 -2.0422 -2.0386 -1.8616 -1.8575 -1.5816 -1.5678 5.6640 5.6689 5.9180 5.9239 6.5972 6.5997 7.1865 7.1882 k =-0.3332 0.5776 0.1815 ( 3584 PWs) bands (ev): -18.7316 -18.7315 -18.5685 -18.5684 -17.9883 -17.9882 -17.9397 -17.9397 -8.1504 -8.1475 -7.3823 -7.3805 -6.2473 -6.2440 -5.5147 -5.5054 -5.0910 -5.0895 -4.9049 -4.9029 -3.4837 -3.4687 -3.0674 -3.0565 -2.1649 -2.1564 -2.0461 -2.0425 -1.8577 -1.8530 -1.5877 -1.5739 5.6607 5.6655 5.9213 5.9271 6.6067 6.6092 7.1618 7.1635 k =-0.3332 0.5776 0.1955 ( 3584 PWs) bands (ev): -18.7264 -18.7263 -18.5704 -18.5704 -17.9893 -17.9893 -17.9427 -17.9427 -8.1373 -8.1345 -7.4163 -7.4144 -6.2037 -6.2002 -5.5118 -5.5025 -5.1055 -5.1041 -4.9193 -4.9172 -3.4725 -3.4575 -3.0779 -3.0666 -2.1540 -2.1452 -2.0492 -2.0458 -1.8539 -1.8486 -1.5942 -1.5805 5.6588 5.6636 5.9230 5.9288 6.6167 6.6192 7.1369 7.1386 k =-0.3332 0.5776 0.2094 ( 3578 PWs) bands (ev): -18.7209 -18.7209 -18.5727 -18.5726 -17.9903 -17.9903 -17.9459 -17.9459 -8.1233 -8.1205 -7.4497 -7.4478 -6.1603 -6.1567 -5.5090 -5.4996 -5.1202 -5.1189 -4.9344 -4.9324 -3.4608 -3.4457 -3.0888 -3.0771 -2.1435 -2.1344 -2.0516 -2.0483 -1.8501 -1.8441 -1.6012 -1.5875 5.6583 5.6630 5.9230 5.9287 6.6272 6.6297 7.1120 7.1137 k =-0.3332 0.5776 0.2234 ( 3580 PWs) bands (ev): -18.7152 -18.7152 -18.5751 -18.5751 -17.9912 -17.9912 -17.9491 -17.9491 -8.1086 -8.1058 -7.4825 -7.4805 -6.1173 -6.1135 -5.5066 -5.4971 -5.1350 -5.1337 -4.9502 -4.9482 -3.4487 -3.4335 -3.1001 -3.0881 -2.1336 -2.1243 -2.0533 -2.0502 -1.8461 -1.8394 -1.6086 -1.5949 5.6591 5.6639 5.9214 5.9270 6.6382 6.6407 7.0873 7.0889 k =-0.3332 0.5776 0.2374 ( 3582 PWs) bands (ev): -18.7093 -18.7092 -18.5779 -18.5778 -17.9920 -17.9920 -17.9524 -17.9524 -8.0930 -8.0903 -7.5146 -7.5127 -6.0747 -6.0708 -5.5047 -5.4950 -5.1495 -5.1481 -4.9667 -4.9648 -3.4361 -3.4209 -3.1117 -3.0993 -2.1244 -2.1151 -2.0542 -2.0513 -1.8418 -1.8345 -1.6164 -1.6028 5.6614 5.6661 5.9181 5.9236 6.6496 6.6520 7.0629 7.0645 k =-0.3332 0.5776 0.2513 ( 3585 PWs) bands (ev): -18.7032 -18.7031 -18.5809 -18.5808 -17.9926 -17.9926 -17.9557 -17.9557 -8.0767 -8.0740 -7.5462 -7.5442 -6.0328 -6.0286 -5.5036 -5.4938 -5.1634 -5.1618 -4.9838 -4.9819 -3.4232 -3.4079 -3.1237 -3.1109 -2.1162 -2.1068 -2.0543 -2.0518 -1.8371 -1.8290 -1.6247 -1.6111 5.6652 5.6698 5.9131 5.9185 6.6614 6.6638 7.0389 7.0405 k =-0.3332 0.5776 0.2653 ( 3579 PWs) bands (ev): -18.6969 -18.6969 -18.5842 -18.5841 -17.9931 -17.9931 -17.9590 -17.9590 -8.0596 -8.0569 -7.5771 -7.5750 -5.9915 -5.9871 -5.5037 -5.4937 -5.1763 -5.1743 -5.0013 -4.9995 -3.4100 -3.3947 -3.1359 -3.1229 -2.1088 -2.0997 -2.0539 -2.0516 -1.8318 -1.8230 -1.6334 -1.6199 5.6703 5.6749 5.9065 5.9119 6.6736 6.6760 7.0156 7.0172 k =-0.3332 0.5776 0.2792 ( 3579 PWs) bands (ev): -18.6905 -18.6905 -18.5878 -18.5877 -17.9934 -17.9934 -17.9622 -17.9622 -8.0418 -8.0391 -7.6073 -7.6053 -5.9509 -5.9463 -5.5054 -5.4952 -5.1877 -5.1853 -5.0192 -5.0175 -3.3965 -3.3812 -3.1484 -3.1351 -2.1024 -2.0935 -2.0533 -2.0510 -1.8258 -1.8163 -1.6425 -1.6291 5.6767 5.6813 5.8985 5.9037 6.6863 6.6886 6.9929 6.9945 k =-0.3332 0.5776 0.2932 ( 3564 PWs) bands (ev): -18.6840 -18.6840 -18.5916 -18.5916 -17.9935 -17.9935 -17.9654 -17.9654 -8.0233 -8.0206 -7.6369 -7.6348 -5.9113 -5.9064 -5.5091 -5.4988 -5.1971 -5.1942 -5.0373 -5.0357 -3.3828 -3.3674 -3.1611 -3.1475 -2.0967 -2.0882 -2.0528 -2.0501 -1.8190 -1.8089 -1.6521 -1.6387 5.6844 5.6891 5.8890 5.8942 6.6993 6.7015 6.9710 6.9725 k =-0.3332 0.5776 0.3072 ( 3564 PWs) bands (ev): -18.6775 -18.6774 -18.5958 -18.5958 -17.9934 -17.9934 -17.9685 -17.9685 -8.0040 -8.0014 -7.6659 -7.6638 -5.8727 -5.8674 -5.5153 -5.5049 -5.2041 -5.2008 -5.0556 -5.0540 -3.3689 -3.3536 -3.1741 -3.1602 -2.0916 -2.0836 -2.0525 -2.0492 -1.8114 -1.8007 -1.6620 -1.6487 5.6934 5.6980 5.8783 5.8833 6.7128 6.7149 6.9497 6.9512 k =-0.3332 0.5776 0.3211 ( 3559 PWs) bands (ev): -18.6709 -18.6708 -18.6003 -18.6002 -17.9931 -17.9931 -17.9715 -17.9715 -7.9841 -7.9815 -7.6942 -7.6920 -5.8351 -5.8296 -5.5243 -5.5139 -5.2081 -5.2046 -5.0738 -5.0721 -3.3549 -3.3396 -3.1873 -3.1732 -2.0870 -2.0795 -2.0526 -2.0487 -1.8029 -1.7918 -1.6723 -1.6591 5.7034 5.7081 5.8664 5.8714 6.7266 6.7287 6.9291 6.9307 k =-0.3332 0.5776 0.3351 ( 3565 PWs) bands (ev): -18.6643 -18.6643 -18.6050 -18.6050 -17.9926 -17.9926 -17.9744 -17.9744 -7.9635 -7.9609 -7.7219 -7.7197 -5.7989 -5.7929 -5.5364 -5.5261 -5.2092 -5.2054 -5.0918 -5.0901 -3.3408 -3.3255 -3.2007 -3.1864 -2.0827 -2.0756 -2.0532 -2.0488 -1.7937 -1.7821 -1.6829 -1.6698 5.7145 5.7192 5.8536 5.8585 6.7409 6.7429 6.9092 6.9108 k =-0.3332 0.5776 0.3491 ( 3569 PWs) bands (ev): -18.6578 -18.6577 -18.6100 -18.6100 -17.9918 -17.9918 -17.9771 -17.9771 -7.9423 -7.9397 -7.7490 -7.7467 -5.7639 -5.7575 -5.5515 -5.5415 -5.2071 -5.2033 -5.1094 -5.1076 -3.3266 -3.3113 -3.2142 -3.1997 -2.0787 -2.0718 -2.0544 -2.0495 -1.7837 -1.7719 -1.6939 -1.6808 5.7266 5.7313 5.8400 5.8448 6.7555 6.7575 6.8900 6.8916 k =-0.3332 0.5776 0.3630 ( 3568 PWs) bands (ev): -18.6513 -18.6512 -18.6153 -18.6153 -17.9908 -17.9908 -17.9797 -17.9797 -7.9203 -7.9178 -7.7754 -7.7730 -5.7304 -5.7236 -5.5696 -5.5600 -5.2021 -5.1985 -5.1264 -5.1244 -3.3124 -3.2971 -3.2279 -3.2133 -2.0748 -2.0682 -2.0561 -2.0508 -1.7732 -1.7611 -1.7051 -1.6921 5.7395 5.7442 5.8258 5.8306 6.7707 6.7726 6.8714 6.8730 k =-0.3332 0.5776 0.3770 ( 3564 PWs) bands (ev): -18.6449 -18.6448 -18.6208 -18.6208 -17.9895 -17.9895 -17.9821 -17.9821 -7.8978 -7.8953 -7.8011 -7.7987 -5.6986 -5.6913 -5.5906 -5.5814 -5.1945 -5.1911 -5.1425 -5.1402 -3.2981 -3.2830 -3.2418 -3.2270 -2.0710 -2.0647 -2.0582 -2.0527 -1.7622 -1.7499 -1.7165 -1.7036 5.7531 5.7578 5.8113 5.8160 6.7862 6.7881 6.8534 6.8551 k =-0.3332 0.5776 0.3909 ( 3564 PWs) bands (ev): -18.6386 -18.6386 -18.6266 -18.6265 -17.9880 -17.9880 -17.9843 -17.9843 -7.8746 -7.8721 -7.8262 -7.8238 -5.6685 -5.6608 -5.6141 -5.6054 -5.1848 -5.1817 -5.1571 -5.1547 -3.2839 -3.2688 -3.2557 -3.2408 -2.0675 -2.0622 -2.0600 -2.0551 -1.7510 -1.7385 -1.7280 -1.7152 5.7672 5.7719 5.7966 5.8013 6.8022 6.8040 6.8360 6.8376 k =-0.3332 0.5776 0.4049 ( 3564 PWs) bands (ev): -18.6325 -18.6325 -18.6324 -18.6324 -17.9863 -17.9863 -17.9862 -17.9862 -7.8508 -7.8508 -7.8482 -7.8482 -5.6410 -5.6410 -5.6312 -5.6312 -5.1754 -5.1754 -5.1655 -5.1655 -3.2698 -3.2698 -3.2548 -3.2548 -2.0643 -2.0643 -2.0578 -2.0578 -1.7395 -1.7395 -1.7269 -1.7269 5.7814 5.7814 5.7869 5.7869 6.8175 6.8175 6.8219 6.8219 k =-0.3332 0.5776 0.4049 ( 3564 PWs) bands (ev): -18.6325 -18.6325 -18.6324 -18.6324 -17.9863 -17.9863 -17.9862 -17.9862 -7.8508 -7.8508 -7.8482 -7.8482 -5.6410 -5.6410 -5.6312 -5.6312 -5.1754 -5.1754 -5.1655 -5.1655 -3.2698 -3.2698 -3.2548 -3.2548 -2.0643 -2.0643 -2.0578 -2.0578 -1.7395 -1.7395 -1.7269 -1.7269 5.7814 5.7814 5.7869 5.7869 6.8175 6.8175 6.8219 6.8219 k =-0.3402 0.5655 0.4049 ( 3556 PWs) bands (ev): -18.6377 -18.6377 -18.6376 -18.6376 -17.9801 -17.9801 -17.9800 -17.9800 -7.8648 -7.8648 -7.8623 -7.8623 -5.5922 -5.5922 -5.5818 -5.5818 -5.1924 -5.1924 -5.1821 -5.1821 -3.3056 -3.3056 -3.2906 -3.2906 -2.0617 -2.0617 -2.0556 -2.0556 -1.7304 -1.7304 -1.7181 -1.7181 5.7974 5.7974 5.8029 5.8029 6.8231 6.8231 6.8275 6.8275 k =-0.3471 0.5535 0.4049 ( 3556 PWs) bands (ev): -18.6440 -18.6440 -18.6440 -18.6440 -17.9725 -17.9725 -17.9724 -17.9724 -7.8782 -7.8782 -7.8758 -7.8758 -5.5462 -5.5462 -5.5352 -5.5352 -5.2062 -5.2062 -5.1955 -5.1955 -3.3416 -3.3416 -3.3268 -3.3268 -2.0603 -2.0603 -2.0544 -2.0544 -1.7215 -1.7215 -1.7096 -1.7096 5.8096 5.8096 5.8152 5.8152 6.8343 6.8343 6.8386 6.8386 k =-0.3541 0.5414 0.4049 ( 3548 PWs) bands (ev): -18.6514 -18.6514 -18.6513 -18.6513 -17.9638 -17.9638 -17.9637 -17.9637 -7.8909 -7.8909 -7.8885 -7.8885 -5.5050 -5.5050 -5.4933 -5.4933 -5.2150 -5.2150 -5.2038 -5.2038 -3.3776 -3.3776 -3.3629 -3.3629 -2.0601 -2.0601 -2.0546 -2.0546 -1.7127 -1.7127 -1.7013 -1.7013 5.8185 5.8185 5.8241 5.8241 6.8507 6.8507 6.8550 6.8550 k =-0.3610 0.5294 0.4049 ( 3556 PWs) bands (ev): -18.6595 -18.6595 -18.6594 -18.6594 -17.9541 -17.9541 -17.9541 -17.9541 -7.9029 -7.9029 -7.9006 -7.9006 -5.4714 -5.4714 -5.4596 -5.4596 -5.2155 -5.2155 -5.2043 -5.2043 -3.4134 -3.4134 -3.3988 -3.3988 -2.0613 -2.0613 -2.0562 -2.0562 -1.7041 -1.7041 -1.6932 -1.6932 5.8246 5.8246 5.8301 5.8301 6.8717 6.8717 6.8759 6.8759 k =-0.3680 0.5173 0.4049 ( 3566 PWs) bands (ev): -18.6682 -18.6682 -18.6681 -18.6681 -17.9438 -17.9438 -17.9438 -17.9438 -7.9141 -7.9141 -7.9120 -7.9120 -5.4486 -5.4486 -5.4374 -5.4374 -5.2044 -5.2044 -5.1939 -5.1939 -3.4488 -3.4488 -3.4343 -3.4343 -2.0640 -2.0640 -2.0592 -2.0592 -1.6956 -1.6956 -1.6852 -1.6852 5.8284 5.8284 5.8338 5.8338 6.8968 6.8968 6.9009 6.9009 k =-0.3749 0.5053 0.4049 ( 3570 PWs) bands (ev): -18.6772 -18.6772 -18.6772 -18.6772 -17.9330 -17.9330 -17.9329 -17.9329 -7.9247 -7.9247 -7.9226 -7.9226 -5.4378 -5.4378 -5.4282 -5.4282 -5.1805 -5.1805 -5.1714 -5.1714 -3.4835 -3.4835 -3.4692 -3.4692 -2.0682 -2.0682 -2.0637 -2.0637 -1.6872 -1.6872 -1.6774 -1.6774 5.8305 5.8305 5.8358 5.8358 6.9253 6.9253 6.9294 6.9294 k =-0.3819 0.4932 0.4049 ( 3562 PWs) bands (ev): -18.6866 -18.6866 -18.6865 -18.6865 -17.9218 -17.9218 -17.9218 -17.9218 -7.9344 -7.9344 -7.9324 -7.9324 -5.4373 -5.4373 -5.4294 -5.4294 -5.1462 -5.1462 -5.1386 -5.1386 -3.5174 -3.5174 -3.5032 -3.5032 -2.0739 -2.0739 -2.0696 -2.0696 -1.6790 -1.6790 -1.6697 -1.6697 5.8315 5.8315 5.8366 5.8366 6.9568 6.9568 6.9607 6.9607 k =-0.3888 0.4812 0.4049 ( 3562 PWs) bands (ev): -18.6959 -18.6959 -18.6959 -18.6959 -17.9106 -17.9106 -17.9105 -17.9105 -7.9435 -7.9435 -7.9415 -7.9415 -5.4440 -5.4440 -5.4375 -5.4375 -5.1054 -5.1054 -5.0988 -5.0988 -3.5504 -3.5504 -3.5364 -3.5364 -2.0811 -2.0811 -2.0769 -2.0769 -1.6709 -1.6709 -1.6623 -1.6623 5.8315 5.8315 5.8366 5.8366 6.9905 6.9905 6.9943 6.9943 k =-0.3958 0.4692 0.4049 ( 3558 PWs) bands (ev): -18.7053 -18.7053 -18.7052 -18.7052 -17.8993 -17.8993 -17.8993 -17.8993 -7.9518 -7.9518 -7.9499 -7.9499 -5.4548 -5.4548 -5.4495 -5.4495 -5.0613 -5.0613 -5.0552 -5.0552 -3.5823 -3.5823 -3.5685 -3.5685 -2.0895 -2.0895 -2.0854 -2.0854 -1.6631 -1.6631 -1.6550 -1.6550 5.8311 5.8311 5.8361 5.8361 7.0261 7.0261 7.0297 7.0297 k =-0.4027 0.4571 0.4049 ( 3568 PWs) bands (ev): -18.7145 -18.7145 -18.7144 -18.7144 -17.8882 -17.8882 -17.8882 -17.8882 -7.9594 -7.9594 -7.9575 -7.9575 -5.4681 -5.4681 -5.4635 -5.4635 -5.0156 -5.0156 -5.0096 -5.0096 -3.6130 -3.6130 -3.5994 -3.5994 -2.0992 -2.0992 -2.0950 -2.0950 -1.6554 -1.6554 -1.6480 -1.6480 5.8305 5.8305 5.8353 5.8353 7.0630 7.0630 7.0666 7.0666 k =-0.4097 0.4451 0.4049 ( 3566 PWs) bands (ev): -18.7234 -18.7234 -18.7233 -18.7233 -17.8775 -17.8775 -17.8774 -17.8774 -7.9663 -7.9663 -7.9645 -7.9645 -5.4824 -5.4824 -5.4784 -5.4784 -4.9696 -4.9696 -4.9636 -4.9636 -3.6424 -3.6424 -3.6290 -3.6290 -2.1098 -2.1098 -2.1056 -2.1056 -1.6481 -1.6481 -1.6412 -1.6412 5.8299 5.8299 5.8346 5.8346 7.1010 7.1010 7.1045 7.1045 k =-0.4166 0.4330 0.4049 ( 3574 PWs) bands (ev): -18.7319 -18.7319 -18.7319 -18.7319 -17.8671 -17.8671 -17.8670 -17.8670 -7.9725 -7.9725 -7.9708 -7.9708 -5.4971 -5.4971 -5.4936 -5.4936 -4.9242 -4.9242 -4.9181 -4.9181 -3.6704 -3.6704 -3.6573 -3.6573 -2.1213 -2.1213 -2.1169 -2.1169 -1.6411 -1.6411 -1.6348 -1.6348 5.8294 5.8294 5.8339 5.8339 7.1397 7.1397 7.1430 7.1430 k =-0.4236 0.4210 0.4049 ( 3576 PWs) bands (ev): -18.7400 -18.7400 -18.7400 -18.7400 -17.8572 -17.8572 -17.8571 -17.8571 -7.9780 -7.9780 -7.9764 -7.9764 -5.5117 -5.5117 -5.5086 -5.5086 -4.8800 -4.8800 -4.8737 -4.8737 -3.6968 -3.6968 -3.6840 -3.6840 -2.1333 -2.1333 -2.1286 -2.1286 -1.6344 -1.6344 -1.6287 -1.6287 5.8292 5.8292 5.8335 5.8335 7.1788 7.1788 7.1819 7.1819 k =-0.4305 0.4089 0.4049 ( 3576 PWs) bands (ev): -18.7476 -18.7476 -18.7476 -18.7476 -17.8479 -17.8479 -17.8478 -17.8478 -7.9830 -7.9830 -7.9814 -7.9814 -5.5258 -5.5258 -5.5230 -5.5230 -4.8374 -4.8374 -4.8311 -4.8311 -3.7215 -3.7215 -3.7093 -3.7093 -2.1455 -2.1455 -2.1406 -2.1406 -1.6282 -1.6282 -1.6230 -1.6230 5.8292 5.8292 5.8333 5.8333 7.2179 7.2179 7.2210 7.2210 k =-0.4375 0.3969 0.4049 ( 3580 PWs) bands (ev): -18.7547 -18.7547 -18.7546 -18.7546 -17.8392 -17.8392 -17.8392 -17.8392 -7.9873 -7.9873 -7.9858 -7.9858 -5.5392 -5.5392 -5.5367 -5.5367 -4.7970 -4.7970 -4.7906 -4.7906 -3.7446 -3.7446 -3.7328 -3.7328 -2.1578 -2.1578 -2.1526 -2.1526 -1.6224 -1.6224 -1.6177 -1.6177 5.8294 5.8294 5.8334 5.8334 7.2569 7.2569 7.2598 7.2598 k =-0.4444 0.3848 0.4049 ( 3588 PWs) bands (ev): -18.7611 -18.7611 -18.7610 -18.7610 -17.8313 -17.8313 -17.8313 -17.8313 -7.9911 -7.9911 -7.9897 -7.9897 -5.5516 -5.5516 -5.5494 -5.5494 -4.7591 -4.7591 -4.7528 -4.7528 -3.7657 -3.7657 -3.7547 -3.7547 -2.1697 -2.1697 -2.1644 -2.1644 -1.6171 -1.6171 -1.6129 -1.6129 5.8298 5.8298 5.8336 5.8336 7.2952 7.2952 7.2980 7.2980 k =-0.4514 0.3728 0.4049 ( 3592 PWs) bands (ev): -18.7668 -18.7668 -18.7668 -18.7668 -17.8242 -17.8242 -17.8242 -17.8242 -7.9944 -7.9944 -7.9930 -7.9930 -5.5628 -5.5628 -5.5609 -5.5609 -4.7243 -4.7243 -4.7180 -4.7180 -3.7848 -3.7848 -3.7746 -3.7746 -2.1811 -2.1811 -2.1756 -2.1756 -1.6124 -1.6124 -1.6086 -1.6086 5.8304 5.8304 5.8340 5.8340 7.3326 7.3326 7.3352 7.3352 k =-0.4583 0.3607 0.4049 ( 3588 PWs) bands (ev): -18.7719 -18.7719 -18.7718 -18.7718 -17.8180 -17.8180 -17.8179 -17.8179 -7.9971 -7.9971 -7.9958 -7.9958 -5.5728 -5.5728 -5.5712 -5.5712 -4.6928 -4.6928 -4.6868 -4.6868 -3.8018 -3.8018 -3.7926 -3.7926 -2.1917 -2.1917 -2.1859 -2.1859 -1.6082 -1.6082 -1.6049 -1.6049 5.8311 5.8311 5.8346 5.8346 7.3686 7.3686 7.3711 7.3711 k =-0.4653 0.3487 0.4049 ( 3584 PWs) bands (ev): -18.7762 -18.7762 -18.7762 -18.7762 -17.8126 -17.8126 -17.8126 -17.8126 -7.9994 -7.9994 -7.9981 -7.9981 -5.5815 -5.5815 -5.5801 -5.5801 -4.6652 -4.6652 -4.6595 -4.6595 -3.8165 -3.8165 -3.8084 -3.8084 -2.2011 -2.2011 -2.1952 -2.1952 -1.6046 -1.6046 -1.6016 -1.6016 5.8318 5.8318 5.8352 5.8352 7.4026 7.4026 7.4049 7.4049 k =-0.4722 0.3366 0.4049 ( 3588 PWs) bands (ev): -18.7798 -18.7798 -18.7797 -18.7797 -17.8082 -17.8082 -17.8081 -17.8081 -8.0012 -8.0012 -7.9999 -7.9999 -5.5886 -5.5886 -5.5875 -5.5875 -4.6418 -4.6418 -4.6365 -4.6365 -3.8286 -3.8286 -3.8218 -3.8218 -2.2092 -2.2092 -2.2031 -2.2031 -1.6016 -1.6016 -1.5990 -1.5990 5.8325 5.8325 5.8357 5.8357 7.4336 7.4336 7.4357 7.4357 k =-0.4792 0.3246 0.4049 ( 3586 PWs) bands (ev): -18.7826 -18.7826 -18.7825 -18.7825 -17.8047 -17.8047 -17.8047 -17.8047 -8.0026 -8.0026 -8.0014 -8.0014 -5.5943 -5.5943 -5.5934 -5.5934 -4.6230 -4.6230 -4.6183 -4.6183 -3.8381 -3.8381 -3.8328 -3.8328 -2.2157 -2.2157 -2.2096 -2.2096 -1.5992 -1.5992 -1.5969 -1.5969 5.8332 5.8332 5.8363 5.8363 7.4606 7.4606 7.4623 7.4623 k =-0.4861 0.3126 0.4049 ( 3590 PWs) bands (ev): -18.7846 -18.7846 -18.7846 -18.7846 -17.8022 -17.8022 -17.8021 -17.8021 -8.0035 -8.0035 -8.0024 -8.0024 -5.5983 -5.5983 -5.5977 -5.5977 -4.6093 -4.6093 -4.6050 -4.6050 -3.8447 -3.8447 -3.8411 -3.8411 -2.2205 -2.2205 -2.2143 -2.2143 -1.5975 -1.5975 -1.5955 -1.5955 5.8337 5.8337 5.8367 5.8367 7.4819 7.4819 7.4833 7.4833 k =-0.4931 0.3005 0.4049 ( 3580 PWs) bands (ev): -18.7858 -18.7858 -18.7858 -18.7858 -17.8006 -17.8006 -17.8006 -17.8006 -8.0041 -8.0041 -8.0030 -8.0030 -5.6006 -5.6006 -5.6004 -5.6004 -4.6009 -4.6009 -4.5970 -4.5970 -3.8484 -3.8484 -3.8465 -3.8465 -2.2234 -2.2234 -2.2172 -2.2172 -1.5964 -1.5964 -1.5946 -1.5946 5.8340 5.8340 5.8370 5.8370 7.4958 7.4958 7.4969 7.4969 k =-0.5000 0.2885 0.4049 ( 3580 PWs) bands (ev): -18.7862 -18.7862 -18.7862 -18.7862 -17.8001 -17.8001 -17.8001 -17.8001 -8.0043 -8.0043 -8.0031 -8.0031 -5.6014 -5.6014 -5.6013 -5.6013 -4.5981 -4.5981 -4.5943 -4.5943 -3.8493 -3.8493 -3.8486 -3.8486 -2.2244 -2.2244 -2.2181 -2.2181 -1.5961 -1.5961 -1.5943 -1.5943 5.8341 5.8341 5.8370 5.8370 7.5007 7.5007 7.5016 7.5016 k =-0.5000 0.2885 0.4049 ( 3580 PWs) bands (ev): -18.7862 -18.7862 -18.7862 -18.7862 -17.8001 -17.8001 -17.8001 -17.8001 -8.0043 -8.0043 -8.0031 -8.0031 -5.6014 -5.6014 -5.6013 -5.6013 -4.5981 -4.5981 -4.5943 -4.5943 -3.8493 -3.8493 -3.8486 -3.8486 -2.2244 -2.2244 -2.2181 -2.2181 -1.5961 -1.5961 -1.5943 -1.5943 5.8341 5.8341 5.8370 5.8370 7.5007 7.5007 7.5016 7.5016 k =-0.5000 0.2885 0.3909 ( 3570 PWs) bands (ev): -18.8049 -18.8049 -18.7671 -18.7671 -17.8081 -17.8081 -17.7925 -17.7925 -8.0482 -8.0471 -7.9593 -7.9582 -5.6084 -5.6083 -5.5939 -5.5937 -4.6245 -4.6209 -4.5736 -4.5696 -3.8525 -3.8519 -3.8470 -3.8462 -2.2340 -2.2278 -2.2132 -2.2069 -1.6090 -1.6073 -1.5832 -1.5815 5.7941 5.7969 5.8732 5.8762 7.4821 7.4831 7.5219 7.5228 k =-0.5000 0.2885 0.3770 ( 3576 PWs) bands (ev): -18.8232 -18.8232 -18.7477 -18.7477 -17.8164 -17.8164 -17.7852 -17.7852 -8.0910 -8.0900 -7.9134 -7.9122 -5.6149 -5.6147 -5.5860 -5.5857 -4.6528 -4.6495 -4.5511 -4.5468 -3.8567 -3.8562 -3.8456 -3.8447 -2.2421 -2.2359 -2.2005 -2.1942 -1.6221 -1.6204 -1.5707 -1.5688 5.7532 5.7560 5.9111 5.9141 7.4661 7.4671 7.5456 7.5465 k =-0.5000 0.2885 0.3630 ( 3572 PWs) bands (ev): -18.8411 -18.8411 -18.7280 -18.7280 -17.8250 -17.8250 -17.7783 -17.7783 -8.1327 -8.1317 -7.8666 -7.8653 -5.6209 -5.6205 -5.5777 -5.5771 -4.6830 -4.6800 -4.5304 -4.5259 -3.8618 -3.8613 -3.8451 -3.8442 -2.2488 -2.2426 -2.1862 -2.1800 -1.6351 -1.6334 -1.5585 -1.5566 5.7117 5.7144 5.9477 5.9507 7.4528 7.4538 7.5719 7.5728 k =-0.5000 0.2885 0.3491 ( 3570 PWs) bands (ev): -18.8586 -18.8585 -18.7080 -18.7080 -17.8340 -17.8340 -17.7716 -17.7716 -8.1732 -8.1723 -7.8188 -7.8174 -5.6262 -5.6258 -5.5690 -5.5682 -4.7150 -4.7123 -4.5115 -4.5069 -3.8678 -3.8674 -3.8454 -3.8444 -2.2540 -2.2479 -2.1705 -2.1643 -1.6479 -1.6463 -1.5467 -1.5447 5.6698 5.6725 5.9827 5.9858 7.4420 7.4431 7.6007 7.6016 k =-0.5000 0.2885 0.3351 ( 3566 PWs) bands (ev): -18.8755 -18.8755 -18.6877 -18.6877 -17.8434 -17.8433 -17.7653 -17.7653 -8.2126 -8.2116 -7.7702 -7.7688 -5.6310 -5.6305 -5.5601 -5.5590 -4.7488 -4.7464 -4.4944 -4.4896 -3.8747 -3.8744 -3.8465 -3.8455 -2.2580 -2.2519 -2.1533 -2.1472 -1.6605 -1.6590 -1.5354 -1.5334 5.6277 5.6303 6.0162 6.0193 7.4337 7.4350 7.6318 7.6327 k =-0.5000 0.2885 0.3211 ( 3572 PWs) bands (ev): -18.8920 -18.8920 -18.6672 -18.6672 -17.8531 -17.8531 -17.7593 -17.7593 -8.2506 -8.2498 -7.7209 -7.7194 -5.6353 -5.6346 -5.5509 -5.5495 -4.7842 -4.7822 -4.4789 -4.4740 -3.8825 -3.8823 -3.8484 -3.8474 -2.2608 -2.2548 -2.1348 -2.1287 -1.6728 -1.6713 -1.5248 -1.5227 5.5856 5.5881 6.0479 6.0510 7.4279 7.4292 7.6653 7.6662 k =-0.5000 0.2885 0.3072 ( 3576 PWs) bands (ev): -18.9079 -18.9079 -18.6466 -18.6465 -17.8632 -17.8631 -17.7536 -17.7536 -8.2874 -8.2866 -7.6709 -7.6694 -5.6389 -5.6382 -5.5415 -5.5399 -4.8212 -4.8195 -4.4650 -4.4600 -3.8911 -3.8910 -3.8510 -3.8499 -2.2624 -2.2565 -2.1150 -2.1089 -1.6847 -1.6832 -1.5149 -1.5127 5.5437 5.5461 6.0778 6.0809 7.4245 7.4258 7.7009 7.7018 k =-0.5000 0.2885 0.2932 ( 3578 PWs) bands (ev): -18.9234 -18.9233 -18.6257 -18.6256 -17.8736 -17.8736 -17.7482 -17.7482 -8.3229 -8.3221 -7.6202 -7.6186 -5.6420 -5.6412 -5.5322 -5.5303 -4.8594 -4.8583 -4.4525 -4.4475 -3.9005 -3.9004 -3.8542 -3.8531 -2.2632 -2.2574 -2.0940 -2.0880 -1.6961 -1.6946 -1.5058 -1.5035 5.5022 5.5045 6.1059 6.1089 7.4231 7.4246 7.7385 7.7395 k =-0.5000 0.2885 0.2792 ( 3578 PWs) bands (ev): -18.9382 -18.9382 -18.6047 -18.6046 -17.8844 -17.8844 -17.7431 -17.7431 -8.3570 -8.3562 -7.5690 -7.5673 -5.6446 -5.6437 -5.5231 -5.5207 -4.8989 -4.8982 -4.4414 -4.4363 -3.9107 -3.9105 -3.8580 -3.8569 -2.2631 -2.2574 -2.0719 -2.0660 -1.7068 -1.7054 -1.4975 -1.4952 5.4612 5.4634 6.1321 6.1350 7.4238 7.4254 7.7781 7.7792 k =-0.5000 0.2885 0.2653 ( 3568 PWs) bands (ev): -18.9525 -18.9524 -18.5836 -18.5835 -17.8956 -17.8955 -17.7382 -17.7382 -8.3896 -8.3890 -7.5172 -7.5156 -5.6466 -5.6457 -5.5142 -5.5114 -4.9392 -4.9390 -4.4315 -4.4263 -3.9216 -3.9212 -3.8624 -3.8613 -2.2623 -2.2568 -2.0489 -2.0430 -1.7170 -1.7155 -1.4901 -1.4877 5.4210 5.4231 6.1563 6.1592 7.4264 7.4281 7.7926 7.7940 k =-0.5000 0.2885 0.2513 ( 3578 PWs) bands (ev): -18.9661 -18.9661 -18.5624 -18.5624 -17.9071 -17.9071 -17.7337 -17.7337 -8.4209 -8.4202 -7.4652 -7.4634 -5.6482 -5.6473 -5.5060 -5.5026 -4.9805 -4.9801 -4.4226 -4.4174 -3.9330 -3.9326 -3.8672 -3.8661 -2.2610 -2.2557 -2.0251 -2.0192 -1.7264 -1.7249 -1.4838 -1.4813 5.3817 5.3837 6.1787 6.1815 7.4305 7.4323 7.7819 7.7836 k =-0.5000 0.2885 0.2374 ( 3582 PWs) bands (ev): -18.9792 -18.9791 -18.5412 -18.5411 -17.9190 -17.9190 -17.7294 -17.7294 -8.4507 -8.4501 -7.4128 -7.4110 -5.6493 -5.6484 -5.4986 -5.4946 -5.0223 -5.0213 -4.4147 -4.4095 -3.9450 -3.9444 -3.8724 -3.8713 -2.2594 -2.2542 -2.0006 -1.9948 -1.7350 -1.7336 -1.4785 -1.4759 5.3435 5.3454 6.1993 6.2020 7.4360 7.4379 7.7714 7.7732 k =-0.5000 0.2885 0.2234 ( 3578 PWs) bands (ev): -18.9915 -18.9915 -18.5199 -18.5199 -17.9313 -17.9313 -17.7254 -17.7254 -8.4789 -8.4783 -7.3603 -7.3585 -5.6500 -5.6491 -5.4924 -5.4878 -5.0639 -5.0621 -4.4076 -4.4024 -3.9573 -3.9566 -3.8779 -3.8768 -2.2574 -2.2525 -1.9755 -1.9698 -1.7429 -1.7415 -1.4743 -1.4716 5.3066 5.3083 6.2181 6.2207 7.4427 7.4447 7.7609 7.7629 k =-0.5000 0.2885 0.2094 ( 3580 PWs) bands (ev): -19.0033 -19.0032 -18.4987 -18.4986 -17.9440 -17.9440 -17.7217 -17.7217 -8.5056 -8.5051 -7.3078 -7.3059 -5.6504 -5.6494 -5.4881 -5.4827 -5.1046 -5.1019 -4.4012 -4.3961 -3.9700 -3.9691 -3.8836 -3.8825 -2.2554 -2.2507 -1.9500 -1.9443 -1.7499 -1.7485 -1.4712 -1.4684 5.2710 5.2727 6.2353 6.2378 7.4504 7.4525 7.7506 7.7528 k =-0.5000 0.2885 0.1955 ( 3574 PWs) bands (ev): -19.0143 -19.0143 -18.4775 -18.4775 -17.9570 -17.9570 -17.7182 -17.7182 -8.5308 -8.5303 -7.2554 -7.2534 -5.6504 -5.6494 -5.4863 -5.4800 -5.1436 -5.1400 -4.3954 -4.3904 -3.9828 -3.9819 -3.8895 -3.8884 -2.2532 -2.2488 -1.9242 -1.9186 -1.7561 -1.7548 -1.4694 -1.4665 5.2370 5.2386 6.2509 6.2533 7.4589 7.4612 7.7403 7.7427 k =-0.5000 0.2885 0.1815 ( 3578 PWs) bands (ev): -19.0247 -19.0246 -18.4564 -18.4563 -17.9704 -17.9704 -17.7150 -17.7150 -8.5544 -8.5539 -7.2033 -7.2013 -5.6501 -5.6491 -5.4880 -5.4808 -5.1797 -5.1751 -4.3901 -4.3851 -3.9958 -3.9948 -3.8954 -3.8944 -2.2511 -2.2469 -1.8983 -1.8928 -1.7615 -1.7602 -1.4688 -1.4658 5.2048 5.2062 6.2650 6.2672 7.4679 7.4704 7.7302 7.7328 k =-0.5000 0.2885 0.1675 ( 3576 PWs) bands (ev): -19.0343 -19.0343 -18.4354 -18.4354 -17.9841 -17.9841 -17.7121 -17.7121 -8.5763 -8.5759 -7.1517 -7.1498 -5.6495 -5.6486 -5.4943 -5.4863 -5.2115 -5.2060 -4.3851 -4.3803 -4.0088 -4.0076 -3.9013 -3.9004 -2.2492 -2.2452 -1.8725 -1.8669 -1.7661 -1.7648 -1.4695 -1.4664 5.1743 5.1757 6.2777 6.2798 7.4774 7.4800 7.7203 7.7231 k =-0.5000 0.2885 0.1536 ( 3576 PWs) bands (ev): -19.0432 -19.0432 -18.4146 -18.4145 -17.9982 -17.9981 -17.7094 -17.7094 -8.5966 -8.5962 -7.1009 -7.0990 -5.6488 -5.6480 -5.5062 -5.4976 -5.2376 -5.2314 -4.3805 -4.3758 -4.0216 -4.0204 -3.9072 -3.9062 -2.2473 -2.2437 -1.8467 -1.8412 -1.7699 -1.7686 -1.4714 -1.4683 5.1458 5.1471 6.2890 6.2910 7.4872 7.4899 7.7104 7.7134 k =-0.5000 0.2885 0.1396 ( 3588 PWs) bands (ev): -19.0514 -19.0514 -18.3940 -18.3939 -18.0126 -18.0125 -17.7069 -17.7069 -8.6152 -8.6148 -7.0513 -7.0493 -5.6480 -5.6472 -5.5240 -5.5153 -5.2572 -5.2508 -4.3761 -4.3716 -4.0341 -4.0328 -3.9128 -3.9120 -2.2457 -2.2424 -1.8215 -1.8158 -1.7730 -1.7715 -1.4747 -1.4714 5.1194 5.1205 6.2991 6.3009 7.4972 7.5000 7.7006 7.7037 k =-0.5000 0.2885 0.1257 ( 3592 PWs) bands (ev): -19.0589 -19.0589 -18.3736 -18.3735 -18.0272 -18.0272 -17.7047 -17.7047 -8.6321 -8.6318 -7.0031 -7.0012 -5.6471 -5.6463 -5.5473 -5.5389 -5.2703 -5.2642 -4.3719 -4.3677 -4.0462 -4.0449 -3.9182 -3.9174 -2.2443 -2.2412 -1.7972 -1.7912 -1.7751 -1.7733 -1.4792 -1.4759 5.0951 5.0962 6.3081 6.3097 7.5073 7.5103 7.6909 7.6942 k =-0.5000 0.2885 0.1117 ( 3590 PWs) bands (ev): -19.0656 -19.0656 -18.3535 -18.3534 -18.0421 -18.0421 -17.7028 -17.7028 -8.6473 -8.6470 -6.9569 -6.9550 -5.6461 -5.6454 -5.5747 -5.5670 -5.2782 -5.2726 -4.3679 -4.3639 -4.0577 -4.0564 -3.9233 -3.9226 -2.2430 -2.2403 -1.7808 -1.7786 -1.7671 -1.7651 -1.4850 -1.4816 5.0732 5.0741 6.3160 6.3174 7.5176 7.5206 7.6813 7.6846 k =-0.5000 0.2885 0.0977 ( 3588 PWs) bands (ev): -19.0715 -19.0715 -18.3337 -18.3337 -18.0572 -18.0572 -17.7010 -17.7010 -8.6607 -8.6604 -6.9131 -6.9113 -5.6451 -5.6446 -5.6043 -5.5975 -5.2822 -5.2773 -4.3641 -4.3604 -4.0685 -4.0672 -3.9280 -3.9273 -2.2420 -2.2396 -1.7798 -1.7796 -1.7458 -1.7419 -1.4920 -1.4886 5.0536 5.0544 6.3228 6.3241 7.5278 7.5310 7.6716 7.6751 k =-0.5000 0.2885 0.0838 ( 3586 PWs) bands (ev): -19.0767 -19.0766 -18.3145 -18.3145 -18.0724 -18.0724 -17.6996 -17.6996 -8.6724 -8.6722 -6.8724 -6.8707 -5.6445 -5.6444 -5.6337 -5.6283 -5.2836 -5.2796 -4.3605 -4.3572 -4.0783 -4.0771 -3.9322 -3.9316 -2.2411 -2.2391 -1.7806 -1.7805 -1.7232 -1.7190 -1.5002 -1.4967 5.0365 5.0372 6.3286 6.3297 7.5380 7.5413 7.6619 7.6654 k =-0.5000 0.2885 0.0698 ( 3582 PWs) bands (ev): -19.0810 -19.0810 -18.2959 -18.2959 -18.0876 -18.0875 -17.6983 -17.6983 -8.6823 -8.6821 -6.8356 -6.8341 -5.6642 -5.6591 -5.6426 -5.6421 -5.2836 -5.2803 -4.3572 -4.3544 -4.0871 -4.0859 -3.9358 -3.9354 -2.2404 -2.2387 -1.7814 -1.7812 -1.7014 -1.6973 -1.5094 -1.5059 5.0219 5.0224 6.3335 6.3344 7.5482 7.5516 7.6523 7.6558 k =-0.5000 0.2885 0.0558 ( 3582 PWs) bands (ev): -19.0846 -19.0846 -18.2783 -18.2782 -18.1024 -18.1023 -17.6973 -17.6973 -8.6904 -8.6902 -6.8036 -6.8022 -5.6901 -5.6860 -5.6421 -5.6417 -5.2828 -5.2802 -4.3542 -4.3519 -4.0945 -4.0935 -3.9389 -3.9385 -2.2398 -2.2385 -1.7820 -1.7818 -1.6808 -1.6769 -1.5194 -1.5160 5.0099 5.0103 6.3375 6.3382 7.5583 7.5617 7.6426 7.6462 k =-0.5000 0.2885 0.0419 ( 3582 PWs) bands (ev): -19.0874 -19.0874 -18.2620 -18.2620 -18.1164 -18.1164 -17.6965 -17.6965 -8.6967 -8.6966 -6.7772 -6.7761 -5.7120 -5.7090 -5.6415 -5.6412 -5.2817 -5.2798 -4.3517 -4.3499 -4.1005 -4.0997 -3.9413 -3.9410 -2.2394 -2.2384 -1.7823 -1.7822 -1.6621 -1.6584 -1.5297 -1.5265 5.0005 5.0008 6.3406 6.3411 7.5682 7.5716 7.6331 7.6367 k =-0.5000 0.2885 0.0279 ( 3582 PWs) bands (ev): -19.0894 -19.0894 -18.2480 -18.2480 -18.1288 -18.1288 -17.6959 -17.6959 -8.7012 -8.7011 -6.7575 -6.7567 -5.7286 -5.7266 -5.6410 -5.6408 -5.2806 -5.2794 -4.3498 -4.3485 -4.1048 -4.1043 -3.9431 -3.9429 -2.2390 -2.2383 -1.7825 -1.7824 -1.6459 -1.6429 -1.5394 -1.5367 4.9937 4.9940 6.3428 6.3432 7.5779 7.5811 7.6240 7.6274 k =-0.5000 0.2885 0.0140 ( 3578 PWs) bands (ev): -19.0906 -19.0906 -18.2380 -18.2380 -18.1379 -18.1379 -17.6956 -17.6956 -8.7039 -8.7039 -6.7451 -6.7447 -5.7388 -5.7378 -5.6407 -5.6406 -5.2798 -5.2792 -4.3484 -4.3478 -4.1074 -4.1072 -3.9441 -3.9440 -2.2387 -2.2384 -1.7826 -1.7826 -1.6339 -1.6321 -1.5467 -1.5450 4.9897 4.9898 6.3442 6.3443 7.5865 7.5891 7.6163 7.6189 k =-0.5000 0.2885 0.0000 ( 3566 PWs) bands (ev): -19.0910 -19.0910 -18.2342 -18.2342 -18.1413 -18.1413 -17.6954 -17.6954 -8.7048 -8.7048 -6.7408 -6.7408 -5.7420 -5.7420 -5.6405 -5.6405 -5.2793 -5.2793 -4.3477 -4.3477 -4.1082 -4.1082 -3.9444 -3.9444 -2.2385 -2.2385 -1.7826 -1.7826 -1.6287 -1.6287 -1.5490 -1.5490 4.9885 4.9885 6.3447 6.3447 7.5918 7.5918 7.6137 7.6137 k = 0.0000 0.0000 0.4049 ( 3610 PWs) bands (ev): -19.1623 -19.1623 -19.1623 -19.1623 -17.3049 -17.3049 -17.3049 -17.3049 -7.7636 -7.7636 -7.7610 -7.7610 -6.3942 -6.3942 -6.3889 -6.3889 -4.5484 -4.5484 -4.5440 -4.5440 -2.8820 -2.8820 -2.8797 -2.8797 -2.4096 -2.4096 -2.3906 -2.3906 -2.0763 -2.0763 -2.0615 -2.0615 4.1132 4.1132 4.1133 4.1133 8.0064 8.0064 8.0096 8.0096 k =-0.0122 0.0070 0.4049 ( 3618 PWs) bands (ev): -19.1619 -19.1619 -19.1619 -19.1619 -17.3054 -17.3054 -17.3054 -17.3054 -7.7641 -7.7641 -7.7615 -7.7615 -6.3931 -6.3931 -6.3878 -6.3878 -4.5485 -4.5485 -4.5441 -4.5441 -2.8837 -2.8837 -2.8813 -2.8813 -2.4107 -2.4107 -2.3918 -2.3918 -2.0739 -2.0739 -2.0591 -2.0591 4.1152 4.1152 4.1153 4.1153 8.0058 8.0058 8.0089 8.0089 k =-0.0244 0.0141 0.4049 ( 3618 PWs) bands (ev): -19.1607 -19.1607 -19.1607 -19.1607 -17.3072 -17.3072 -17.3072 -17.3072 -7.7655 -7.7655 -7.7629 -7.7629 -6.3898 -6.3898 -6.3844 -6.3844 -4.5485 -4.5485 -4.5441 -4.5441 -2.8887 -2.8887 -2.8861 -2.8861 -2.4140 -2.4140 -2.3950 -2.3950 -2.0669 -2.0669 -2.0523 -2.0523 4.1211 4.1211 4.1212 4.1212 8.0038 8.0038 8.0070 8.0070 k =-0.0366 0.0211 0.4049 ( 3614 PWs) bands (ev): -19.1586 -19.1586 -19.1586 -19.1586 -17.3101 -17.3101 -17.3101 -17.3101 -7.7678 -7.7678 -7.7652 -7.7652 -6.3843 -6.3843 -6.3789 -6.3789 -4.5486 -4.5486 -4.5442 -4.5442 -2.8971 -2.8971 -2.8941 -2.8941 -2.4188 -2.4188 -2.3998 -2.3998 -2.0558 -2.0558 -2.0415 -2.0415 4.1310 4.1310 4.1312 4.1312 8.0006 8.0006 8.0037 8.0037 k =-0.0488 0.0281 0.4049 ( 3602 PWs) bands (ev): -19.1557 -19.1557 -19.1557 -19.1557 -17.3142 -17.3142 -17.3142 -17.3142 -7.7711 -7.7711 -7.7684 -7.7684 -6.3767 -6.3767 -6.3712 -6.3712 -4.5487 -4.5487 -4.5442 -4.5442 -2.9087 -2.9087 -2.9055 -2.9055 -2.4243 -2.4243 -2.4055 -2.4055 -2.0414 -2.0414 -2.0275 -2.0275 4.1449 4.1449 4.1451 4.1451 7.9961 7.9961 7.9992 7.9992 k =-0.0610 0.0352 0.4049 ( 3592 PWs) bands (ev): -19.1521 -19.1521 -19.1521 -19.1521 -17.3195 -17.3195 -17.3195 -17.3195 -7.7751 -7.7751 -7.7724 -7.7724 -6.3669 -6.3669 -6.3614 -6.3614 -4.5488 -4.5488 -4.5443 -4.5443 -2.9235 -2.9235 -2.9202 -2.9202 -2.4298 -2.4298 -2.4113 -2.4113 -2.0244 -2.0244 -2.0109 -2.0109 4.1626 4.1626 4.1628 4.1628 7.9903 7.9903 7.9935 7.9935 k =-0.0732 0.0422 0.4049 ( 3592 PWs) bands (ev): -19.1476 -19.1476 -19.1476 -19.1476 -17.3259 -17.3259 -17.3259 -17.3259 -7.7800 -7.7800 -7.7772 -7.7772 -6.3552 -6.3552 -6.3496 -6.3496 -4.5489 -4.5489 -4.5445 -4.5445 -2.9415 -2.9415 -2.9382 -2.9382 -2.4348 -2.4348 -2.4166 -2.4166 -2.0056 -2.0056 -1.9924 -1.9924 4.1841 4.1841 4.1844 4.1844 7.9832 7.9832 7.9864 7.9864 k =-0.0854 0.0492 0.4049 ( 3594 PWs) bands (ev): -19.1424 -19.1424 -19.1423 -19.1423 -17.3333 -17.3333 -17.3333 -17.3333 -7.7856 -7.7856 -7.7828 -7.7828 -6.3416 -6.3416 -6.3359 -6.3359 -4.5491 -4.5491 -4.5447 -4.5447 -2.9624 -2.9624 -2.9593 -2.9593 -2.4387 -2.4387 -2.4209 -2.4209 -1.9855 -1.9855 -1.9727 -1.9727 4.2093 4.2093 4.2097 4.2097 7.9748 7.9748 7.9780 7.9780 k =-0.0976 0.0563 0.4049 ( 3598 PWs) bands (ev): -19.1363 -19.1363 -19.1363 -19.1363 -17.3419 -17.3419 -17.3419 -17.3419 -7.7919 -7.7919 -7.7891 -7.7891 -6.3260 -6.3260 -6.3203 -6.3203 -4.5493 -4.5493 -4.5448 -4.5448 -2.9862 -2.9862 -2.9833 -2.9833 -2.4411 -2.4411 -2.4239 -2.4239 -1.9646 -1.9646 -1.9522 -1.9522 4.2381 4.2381 4.2386 4.2386 7.9652 7.9652 7.9684 7.9684 k =-0.1098 0.0633 0.4049 ( 3582 PWs) bands (ev): -19.1295 -19.1295 -19.1295 -19.1295 -17.3515 -17.3515 -17.3515 -17.3515 -7.7987 -7.7987 -7.7959 -7.7959 -6.3087 -6.3087 -6.3029 -6.3029 -4.5495 -4.5495 -4.5451 -4.5451 -3.0125 -3.0125 -3.0100 -3.0100 -2.4420 -2.4420 -2.4255 -2.4255 -1.9432 -1.9432 -1.9314 -1.9314 4.2705 4.2705 4.2711 4.2711 7.9544 7.9544 7.9577 7.9577 k =-0.1220 0.0704 0.4049 ( 3578 PWs) bands (ev): -19.1220 -19.1220 -19.1220 -19.1220 -17.3621 -17.3621 -17.3621 -17.3621 -7.8062 -7.8062 -7.8033 -7.8033 -6.2898 -6.2898 -6.2839 -6.2839 -4.5497 -4.5497 -4.5453 -4.5453 -3.0412 -3.0412 -3.0390 -3.0390 -2.4413 -2.4413 -2.4255 -2.4255 -1.9218 -1.9218 -1.9104 -1.9104 4.3064 4.3064 4.3069 4.3069 7.9423 7.9423 7.9457 7.9457 k =-0.1341 0.0774 0.4049 ( 3582 PWs) bands (ev): -19.1138 -19.1138 -19.1138 -19.1138 -17.3737 -17.3737 -17.3737 -17.3737 -7.8141 -7.8141 -7.8112 -7.8112 -6.2693 -6.2693 -6.2634 -6.2634 -4.5500 -4.5500 -4.5456 -4.5456 -3.0718 -3.0718 -3.0701 -3.0701 -2.4391 -2.4391 -2.4241 -2.4241 -1.9006 -1.9006 -1.8896 -1.8896 4.3455 4.3455 4.3461 4.3461 7.9290 7.9290 7.9324 7.9324 k =-0.1463 0.0844 0.4049 ( 3574 PWs) bands (ev): -19.1048 -19.1048 -19.1048 -19.1048 -17.3862 -17.3862 -17.3862 -17.3862 -7.8223 -7.8223 -7.8194 -7.8194 -6.2474 -6.2474 -6.2414 -6.2414 -4.5503 -4.5503 -4.5459 -4.5459 -3.1042 -3.1042 -3.1028 -3.1028 -2.4355 -2.4355 -2.4212 -2.4212 -1.8797 -1.8797 -1.8691 -1.8691 4.3878 4.3878 4.3885 4.3885 7.9145 7.9145 7.9180 7.9180 k =-0.1585 0.0915 0.4049 ( 3572 PWs) bands (ev): -19.0952 -19.0952 -19.0952 -19.0952 -17.3996 -17.3996 -17.3996 -17.3996 -7.8309 -7.8309 -7.8280 -7.8280 -6.2242 -6.2242 -6.2182 -6.2182 -4.5507 -4.5507 -4.5463 -4.5463 -3.1380 -3.1380 -3.1369 -3.1369 -2.4305 -2.4305 -2.4170 -2.4170 -1.8593 -1.8593 -1.8491 -1.8491 4.4330 4.4330 4.4338 4.4338 7.8990 7.8990 7.9025 7.9025 k =-0.1707 0.0985 0.4049 ( 3576 PWs) bands (ev): -19.0850 -19.0850 -19.0849 -19.0849 -17.4139 -17.4139 -17.4138 -17.4138 -7.8398 -7.8398 -7.8369 -7.8369 -6.1998 -6.1998 -6.1938 -6.1938 -4.5511 -4.5511 -4.5467 -4.5467 -3.1731 -3.1731 -3.1719 -3.1719 -2.4245 -2.4245 -2.4116 -2.4116 -1.8395 -1.8395 -1.8297 -1.8297 4.4811 4.4811 4.4820 4.4820 7.8823 7.8823 7.8859 7.8859 k =-0.1829 0.1055 0.4049 ( 3572 PWs) bands (ev): -19.0741 -19.0741 -19.0741 -19.0741 -17.4289 -17.4289 -17.4289 -17.4289 -7.8488 -7.8488 -7.8460 -7.8460 -6.1743 -6.1743 -6.1683 -6.1683 -4.5515 -4.5515 -4.5471 -4.5471 -3.2091 -3.2091 -3.2076 -3.2076 -2.4174 -2.4174 -2.4052 -2.4052 -1.8204 -1.8204 -1.8109 -1.8109 4.5319 4.5319 4.5329 4.5329 7.8645 7.8645 7.8682 7.8682 k =-0.1951 0.1126 0.4049 ( 3568 PWs) bands (ev): -19.0626 -19.0626 -19.0626 -19.0626 -17.4446 -17.4446 -17.4446 -17.4446 -7.8580 -7.8580 -7.8552 -7.8552 -6.1479 -6.1479 -6.1419 -6.1419 -4.5521 -4.5521 -4.5477 -4.5477 -3.2458 -3.2458 -3.2439 -3.2439 -2.4095 -2.4095 -2.3979 -2.3979 -1.8020 -1.8020 -1.7930 -1.7930 4.5851 4.5851 4.5862 4.5862 7.8458 7.8458 7.8496 7.8496 k =-0.2073 0.1196 0.4049 ( 3568 PWs) bands (ev): -19.0506 -19.0506 -19.0506 -19.0506 -17.4610 -17.4610 -17.4610 -17.4610 -7.8673 -7.8673 -7.8645 -7.8645 -6.1207 -6.1207 -6.1147 -6.1147 -4.5527 -4.5527 -4.5483 -4.5483 -3.2827 -3.2827 -3.2805 -3.2805 -2.4008 -2.4008 -2.3898 -2.3898 -1.7845 -1.7845 -1.7758 -1.7758 4.6407 4.6407 4.6418 4.6418 7.8261 7.8261 7.8300 7.8300 k =-0.2195 0.1266 0.4049 ( 3572 PWs) bands (ev): -19.0381 -19.0381 -19.0381 -19.0381 -17.4780 -17.4780 -17.4780 -17.4780 -7.8765 -7.8765 -7.8737 -7.8737 -6.0928 -6.0928 -6.0868 -6.0868 -4.5534 -4.5534 -4.5490 -4.5490 -3.3199 -3.3199 -3.3172 -3.3172 -2.3916 -2.3916 -2.3811 -2.3811 -1.7678 -1.7678 -1.7594 -1.7594 4.6982 4.6982 4.6995 4.6995 7.8056 7.8056 7.8095 7.8095 k =-0.2317 0.1337 0.4049 ( 3570 PWs) bands (ev): -19.0252 -19.0252 -19.0251 -19.0251 -17.4955 -17.4955 -17.4954 -17.4954 -7.8857 -7.8857 -7.8830 -7.8830 -6.0643 -6.0643 -6.0584 -6.0584 -4.5542 -4.5542 -4.5498 -4.5498 -3.3569 -3.3569 -3.3539 -3.3539 -2.3818 -2.3818 -2.3719 -2.3719 -1.7519 -1.7519 -1.7439 -1.7439 4.7577 4.7577 4.7590 4.7590 7.7843 7.7843 7.7883 7.7883 k =-0.2439 0.1407 0.4049 ( 3578 PWs) bands (ev): -19.0118 -19.0118 -19.0118 -19.0118 -17.5134 -17.5134 -17.5134 -17.5134 -7.8948 -7.8948 -7.8922 -7.8922 -6.0354 -6.0354 -6.0296 -6.0296 -4.5551 -4.5551 -4.5508 -4.5508 -3.3937 -3.3937 -3.3903 -3.3903 -2.3718 -2.3718 -2.3623 -2.3623 -1.7369 -1.7369 -1.7292 -1.7292 4.8187 4.8187 4.8202 4.8202 7.7625 7.7625 7.7665 7.7665 k =-0.2561 0.1477 0.4049 ( 3570 PWs) bands (ev): -18.9981 -18.9981 -18.9981 -18.9981 -17.5317 -17.5317 -17.5317 -17.5317 -7.9038 -7.9038 -7.9012 -7.9012 -6.0062 -6.0062 -6.0005 -6.0005 -4.5561 -4.5561 -4.5519 -4.5519 -3.4300 -3.4300 -3.4263 -3.4263 -2.3615 -2.3615 -2.3525 -2.3525 -1.7227 -1.7227 -1.7154 -1.7154 4.8811 4.8811 4.8827 4.8827 7.7402 7.7402 7.7443 7.7443 k =-0.2683 0.1548 0.4049 ( 3562 PWs) bands (ev): -18.9841 -18.9841 -18.9840 -18.9840 -17.5502 -17.5502 -17.5502 -17.5502 -7.9125 -7.9125 -7.9100 -7.9100 -5.9768 -5.9768 -5.9713 -5.9713 -4.5573 -4.5573 -4.5531 -4.5531 -3.4656 -3.4656 -3.4617 -3.4617 -2.3510 -2.3510 -2.3424 -2.3424 -1.7094 -1.7094 -1.7024 -1.7024 4.9446 4.9446 4.9463 4.9463 7.7176 7.7176 7.7217 7.7217 k =-0.2805 0.1618 0.4049 ( 3570 PWs) bands (ev): -18.9698 -18.9698 -18.9698 -18.9698 -17.5690 -17.5690 -17.5689 -17.5689 -7.9211 -7.9211 -7.9186 -7.9186 -5.9475 -5.9475 -5.9421 -5.9421 -4.5587 -4.5587 -4.5546 -4.5546 -3.5005 -3.5005 -3.4963 -3.4963 -2.3405 -2.3405 -2.3322 -2.3322 -1.6969 -1.6969 -1.6903 -1.6903 5.0088 5.0088 5.0107 5.0107 7.6949 7.6949 7.6990 7.6990 k =-0.2927 0.1689 0.4049 ( 3578 PWs) bands (ev): -18.9555 -18.9555 -18.9554 -18.9554 -17.5878 -17.5878 -17.5878 -17.5878 -7.9293 -7.9293 -7.9270 -7.9270 -5.9183 -5.9183 -5.9130 -5.9130 -4.5603 -4.5603 -4.5562 -4.5562 -3.5345 -3.5345 -3.5301 -3.5301 -2.3301 -2.3301 -2.3221 -2.3221 -1.6853 -1.6853 -1.6790 -1.6790 5.0736 5.0736 5.0756 5.0756 7.6723 7.6723 7.6764 7.6764 k =-0.3049 0.1759 0.4049 ( 3578 PWs) bands (ev): -18.9410 -18.9410 -18.9409 -18.9409 -17.6066 -17.6066 -17.6065 -17.6065 -7.9373 -7.9373 -7.9350 -7.9350 -5.8893 -5.8893 -5.8843 -5.8843 -4.5621 -4.5621 -4.5580 -4.5580 -3.5673 -3.5673 -3.5628 -3.5628 -2.3198 -2.3198 -2.3121 -2.3121 -1.6745 -1.6745 -1.6685 -1.6685 5.1386 5.1386 5.1407 5.1407 7.6500 7.6500 7.6542 7.6542 k =-0.3171 0.1829 0.4049 ( 3574 PWs) bands (ev): -18.9265 -18.9265 -18.9265 -18.9265 -17.6252 -17.6252 -17.6252 -17.6252 -7.9449 -7.9449 -7.9427 -7.9427 -5.8608 -5.8608 -5.8560 -5.8560 -4.5641 -4.5641 -4.5600 -4.5600 -3.5990 -3.5990 -3.5943 -3.5943 -2.3097 -2.3097 -2.3022 -2.3022 -1.6645 -1.6645 -1.6588 -1.6588 5.2034 5.2034 5.2056 5.2056 7.6284 7.6284 7.6325 7.6325 k =-0.3293 0.1900 0.4049 ( 3582 PWs) bands (ev): -18.9122 -18.9122 -18.9121 -18.9121 -17.6437 -17.6437 -17.6436 -17.6436 -7.9522 -7.9522 -7.9501 -7.9501 -5.8328 -5.8328 -5.8283 -5.8283 -4.5662 -4.5662 -4.5622 -4.5622 -3.6293 -3.6293 -3.6245 -3.6245 -2.2999 -2.2999 -2.2926 -2.2926 -1.6552 -1.6552 -1.6499 -1.6499 5.2676 5.2676 5.2699 5.2699 7.6076 7.6076 7.6117 7.6117 k =-0.3415 0.1970 0.4049 ( 3582 PWs) bands (ev): -18.8980 -18.8980 -18.8979 -18.8979 -17.6617 -17.6617 -17.6617 -17.6617 -7.9591 -7.9591 -7.9571 -7.9571 -5.8056 -5.8056 -5.8013 -5.8013 -4.5686 -4.5686 -4.5647 -4.5647 -3.6580 -3.6580 -3.6533 -3.6533 -2.2905 -2.2905 -2.2834 -2.2834 -1.6468 -1.6468 -1.6418 -1.6418 5.3309 5.3309 5.3334 5.3334 7.5879 7.5879 7.5920 7.5920 k =-0.3537 0.2040 0.4049 ( 3588 PWs) bands (ev): -18.8841 -18.8841 -18.8841 -18.8841 -17.6792 -17.6792 -17.6792 -17.6792 -7.9655 -7.9655 -7.9636 -7.9636 -5.7794 -5.7794 -5.7753 -5.7753 -4.5712 -4.5712 -4.5673 -4.5673 -3.6852 -3.6852 -3.6804 -3.6804 -2.2815 -2.2815 -2.2745 -2.2745 -1.6390 -1.6390 -1.6343 -1.6343 5.3928 5.3928 5.3954 5.3954 7.5696 7.5696 7.5736 7.5736 k =-0.3659 0.2111 0.4049 ( 3588 PWs) bands (ev): -18.8707 -18.8707 -18.8706 -18.8706 -17.6961 -17.6961 -17.6961 -17.6961 -7.9715 -7.9715 -7.9697 -7.9697 -5.7542 -5.7542 -5.7504 -5.7504 -4.5740 -4.5740 -4.5701 -4.5701 -3.7105 -3.7105 -3.7059 -3.7059 -2.2729 -2.2729 -2.2661 -2.2661 -1.6319 -1.6319 -1.6276 -1.6276 5.4529 5.4529 5.4555 5.4555 7.5529 7.5529 7.5569 7.5569 k =-0.3780 0.2181 0.4049 ( 3590 PWs) bands (ev): -18.8578 -18.8578 -18.8577 -18.8577 -17.7123 -17.7123 -17.7122 -17.7122 -7.9771 -7.9771 -7.9754 -7.9754 -5.7303 -5.7303 -5.7268 -5.7268 -4.5769 -4.5769 -4.5731 -4.5731 -3.7341 -3.7341 -3.7296 -3.7296 -2.2650 -2.2650 -2.2583 -2.2583 -1.6256 -1.6256 -1.6216 -1.6216 5.5106 5.5106 5.5133 5.5133 7.5382 7.5382 7.5420 7.5420 k =-0.3902 0.2251 0.4049 ( 3594 PWs) bands (ev): -18.8456 -18.8456 -18.8455 -18.8455 -17.7275 -17.7275 -17.7275 -17.7275 -7.9822 -7.9822 -7.9805 -7.9805 -5.7079 -5.7079 -5.7047 -5.7047 -4.5799 -4.5799 -4.5761 -4.5761 -3.7556 -3.7556 -3.7514 -3.7514 -2.2576 -2.2576 -2.2510 -2.2510 -1.6199 -1.6199 -1.6162 -1.6162 5.5654 5.5654 5.5682 5.5682 7.5255 7.5255 7.5293 7.5293 k =-0.4024 0.2322 0.4049 ( 3590 PWs) bands (ev): -18.8341 -18.8341 -18.8341 -18.8341 -17.7416 -17.7416 -17.7416 -17.7416 -7.9868 -7.9868 -7.9852 -7.9852 -5.6871 -5.6871 -5.6843 -5.6843 -4.5829 -4.5829 -4.5791 -4.5791 -3.7751 -3.7751 -3.7711 -3.7711 -2.2509 -2.2509 -2.2443 -2.2443 -1.6148 -1.6148 -1.6114 -1.6114 5.6168 5.6168 5.6197 5.6197 7.5153 7.5153 7.5189 7.5189 k =-0.4146 0.2392 0.4049 ( 3590 PWs) bands (ev): -18.8236 -18.8236 -18.8236 -18.8236 -17.7546 -17.7546 -17.7545 -17.7545 -7.9908 -7.9908 -7.9894 -7.9894 -5.6681 -5.6681 -5.6657 -5.6657 -4.5858 -4.5858 -4.5821 -4.5821 -3.7924 -3.7924 -3.7888 -3.7888 -2.2448 -2.2448 -2.2384 -2.2384 -1.6104 -1.6104 -1.6073 -1.6073 5.6641 5.6641 5.6670 5.6670 7.5074 7.5074 7.5108 7.5108 k =-0.4268 0.2462 0.4049 ( 3582 PWs) bands (ev): -18.8142 -18.8142 -18.8141 -18.8141 -17.7661 -17.7661 -17.7661 -17.7661 -7.9944 -7.9944 -7.9930 -7.9930 -5.6512 -5.6512 -5.6491 -5.6491 -4.5887 -4.5887 -4.5849 -4.5849 -3.8075 -3.8075 -3.8043 -3.8043 -2.2395 -2.2395 -2.2331 -2.2331 -1.6066 -1.6066 -1.6038 -1.6038 5.7067 5.7067 5.7097 5.7097 7.5019 7.5019 7.5051 7.5051 k =-0.4390 0.2533 0.4049 ( 3582 PWs) bands (ev): -18.8059 -18.8059 -18.8059 -18.8059 -17.7762 -17.7762 -17.7762 -17.7762 -7.9974 -7.9974 -7.9961 -7.9961 -5.6366 -5.6366 -5.6348 -5.6348 -4.5913 -4.5913 -4.5875 -4.5875 -3.8204 -3.8204 -3.8176 -3.8176 -2.2349 -2.2349 -2.2286 -2.2286 -1.6034 -1.6034 -1.6008 -1.6008 5.7441 5.7441 5.7471 5.7471 7.4988 7.4988 7.5017 7.5017 k =-0.4512 0.2603 0.4049 ( 3578 PWs) bands (ev): -18.7990 -18.7990 -18.7989 -18.7989 -17.7847 -17.7847 -17.7846 -17.7846 -7.9999 -7.9999 -7.9986 -7.9986 -5.6242 -5.6242 -5.6228 -5.6228 -4.5936 -4.5936 -4.5898 -4.5898 -3.8309 -3.8309 -3.8286 -3.8286 -2.2312 -2.2312 -2.2248 -2.2248 -1.6007 -1.6007 -1.5984 -1.5984 5.7757 5.7757 5.7787 5.7787 7.4976 7.4976 7.5002 7.5002 k =-0.4634 0.2674 0.4049 ( 3574 PWs) bands (ev): -18.7935 -18.7935 -18.7934 -18.7934 -17.7914 -17.7914 -17.7913 -17.7913 -8.0018 -8.0018 -8.0006 -8.0006 -5.6144 -5.6144 -5.6134 -5.6134 -4.5955 -4.5955 -4.5917 -4.5917 -3.8390 -3.8390 -3.8372 -3.8372 -2.2282 -2.2282 -2.2219 -2.2219 -1.5987 -1.5987 -1.5966 -1.5966 5.8009 5.8009 5.8039 5.8039 7.4979 7.4979 7.5000 7.5000 k =-0.4756 0.2744 0.4049 ( 3578 PWs) bands (ev): -18.7895 -18.7895 -18.7894 -18.7894 -17.7962 -17.7962 -17.7962 -17.7962 -8.0032 -8.0032 -8.0020 -8.0020 -5.6073 -5.6073 -5.6066 -5.6066 -4.5969 -4.5969 -4.5931 -4.5931 -3.8448 -3.8448 -3.8435 -3.8435 -2.2261 -2.2261 -2.2198 -2.2198 -1.5972 -1.5972 -1.5953 -1.5953 5.8192 5.8192 5.8222 5.8222 7.4990 7.4990 7.5007 7.5007 k =-0.4878 0.2814 0.4049 ( 3574 PWs) bands (ev): -18.7870 -18.7870 -18.7870 -18.7870 -17.7992 -17.7992 -17.7991 -17.7991 -8.0040 -8.0040 -8.0029 -8.0029 -5.6029 -5.6029 -5.6026 -5.6026 -4.5978 -4.5978 -4.5940 -4.5940 -3.8482 -3.8482 -3.8473 -3.8473 -2.2248 -2.2248 -2.2185 -2.2185 -1.5964 -1.5964 -1.5946 -1.5946 5.8304 5.8304 5.8333 5.8333 7.5002 7.5002 7.5013 7.5013 k =-0.5000 0.2885 0.4049 ( 3580 PWs) bands (ev): -18.7862 -18.7862 -18.7862 -18.7862 -17.8001 -17.8001 -17.8001 -17.8001 -8.0043 -8.0043 -8.0031 -8.0031 -5.6014 -5.6014 -5.6013 -5.6013 -4.5981 -4.5981 -4.5943 -4.5943 -3.8493 -3.8493 -3.8486 -3.8486 -2.2244 -2.2244 -2.2181 -2.2181 -1.5961 -1.5961 -1.5943 -1.5943 5.8341 5.8341 5.8370 5.8370 7.5007 7.5007 7.5016 7.5016 Writing output data file H2O.save init_run : 0.47s CPU 0.29s WALL ( 1 calls) electrons : 303.06s CPU 190.22s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.24s CPU 0.13s WALL ( 1 calls) Called by electrons: c_bands : 303.05s CPU 190.21s WALL ( 1 calls) v_of_rho : 0.15s CPU 0.08s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.14s CPU 0.07s WALL ( 1 calls) newd : 0.02s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.31s CPU 0.42s WALL ( 400 calls) cegterg : 275.70s CPU 173.69s WALL ( 723 calls) Called by sum_band: Called by *egterg: h_psi : 180.88s CPU 104.74s WALL ( 9925 calls) s_psi : 3.28s CPU 1.94s WALL ( 9925 calls) g_psi : 0.34s CPU 0.21s WALL ( 8802 calls) cdiaghg : 90.36s CPU 64.15s WALL ( 9202 calls) cegterg:over : 9.44s CPU 5.84s WALL ( 8802 calls) cegterg:upda : 7.52s CPU 5.06s WALL ( 8802 calls) cegterg:last : 3.92s CPU 2.38s WALL ( 1556 calls) cdiaghg:chol : 4.73s CPU 3.42s WALL ( 9202 calls) cdiaghg:inve : 2.42s CPU 1.90s WALL ( 9202 calls) cdiaghg:para : 4.85s CPU 3.58s WALL ( 18404 calls) Called by h_psi: h_psi:vloc : 170.64s CPU 98.32s WALL ( 9925 calls) h_psi:vnl : 9.98s CPU 6.22s WALL ( 9925 calls) add_vuspsi : 4.39s CPU 2.65s WALL ( 9925 calls) General routines calbec : 5.56s CPU 3.53s WALL ( 9925 calls) fft : 0.09s CPU 0.04s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 161.87s CPU 92.98s WALL ( 800024 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.37s CPU 0.74s WALL ( 800 calls) Parallel routines fft_scatter : 62.43s CPU 37.97s WALL ( 800047 calls) PWSCF : 5m16.98s CPU 3m37.14s WALL This run was terminated on: 4: 6: 9 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=