Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:20:19 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./As.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 16 12 4 298 196 34 Max 17 13 5 301 209 38 Sum 591 453 145 10773 7231 1341 bravais-lattice index = 14 lattice parameter (alat) = 10.9089 a.u. unit-cell volume = 597.3704 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 1 number of electrons = 20.00 number of Kohn-Sham states= 28 kinetic-energy cutoff = 20.0000 Ry charge density cutoff = 104.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.908913 celldm(2)= 1.000000 celldm(3)= 0.770863 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.802295 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.802295 0.596928 0.000000 ) a(3) = ( 0.000000 0.000000 0.770863 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.344040 -0.000000 ) b(2) = ( 0.000000 1.675244 -0.000000 ) b(3) = ( 0.000000 0.000000 1.297247 ) PseudoPot. # 1 for As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential As 5.00 74.92160 As( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 422 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 2) = ( 0.0056617 0.0170943 -0.0000000), wk = 0.0023697 k( 3) = ( 0.0113234 0.0341886 -0.0000000), wk = 0.0023697 k( 4) = ( 0.0169852 0.0512830 -0.0000000), wk = 0.0023697 k( 5) = ( 0.0226469 0.0683773 -0.0000000), wk = 0.0023697 k( 6) = ( 0.0283086 0.0854716 -0.0000000), wk = 0.0023697 k( 7) = ( 0.0339703 0.1025660 -0.0000000), wk = 0.0023697 k( 8) = ( 0.0396320 0.1196603 -0.0000000), wk = 0.0023697 k( 9) = ( 0.0452937 0.1367546 -0.0000000), wk = 0.0023697 k( 10) = ( 0.0509554 0.1538489 -0.0000000), wk = 0.0023697 k( 11) = ( 0.0566172 0.1709433 -0.0000000), wk = 0.0023697 k( 12) = ( 0.0622789 0.1880376 -0.0000000), wk = 0.0023697 k( 13) = ( 0.0679406 0.2051319 -0.0000000), wk = 0.0023697 k( 14) = ( 0.0736023 0.2222263 -0.0000000), wk = 0.0023697 k( 15) = ( 0.0792640 0.2393206 -0.0000000), wk = 0.0023697 k( 16) = ( 0.0849257 0.2564149 -0.0000000), wk = 0.0023697 k( 17) = ( 0.0905875 0.2735092 -0.0000000), wk = 0.0023697 k( 18) = ( 0.0962492 0.2906036 -0.0000000), wk = 0.0023697 k( 19) = ( 0.1019109 0.3076979 -0.0000000), wk = 0.0023697 k( 20) = ( 0.1075726 0.3247922 -0.0000000), wk = 0.0023697 k( 21) = ( 0.1132343 0.3418865 -0.0000000), wk = 0.0023697 k( 22) = ( 0.1188960 0.3589809 -0.0000000), wk = 0.0023697 k( 23) = ( 0.1245577 0.3760752 -0.0000000), wk = 0.0023697 k( 24) = ( 0.1302195 0.3931695 -0.0000000), wk = 0.0023697 k( 25) = ( 0.1358812 0.4102638 -0.0000000), wk = 0.0023697 k( 26) = ( 0.1415429 0.4273582 -0.0000000), wk = 0.0023697 k( 27) = ( 0.1472046 0.4444525 -0.0000000), wk = 0.0023697 k( 28) = ( 0.1528663 0.4615468 -0.0000000), wk = 0.0023697 k( 29) = ( 0.1585281 0.4786412 -0.0000000), wk = 0.0023697 k( 30) = ( 0.1641898 0.4957355 -0.0000000), wk = 0.0023697 k( 31) = ( 0.1698515 0.5128298 -0.0000000), wk = 0.0023697 k( 32) = ( 0.1755132 0.5299242 -0.0000000), wk = 0.0023697 k( 33) = ( 0.1811749 0.5470185 -0.0000000), wk = 0.0023697 k( 34) = ( 0.1868366 0.5641128 -0.0000000), wk = 0.0023697 k( 35) = ( 0.1924983 0.5812071 -0.0000000), wk = 0.0023697 k( 36) = ( 0.1981601 0.5983014 -0.0000000), wk = 0.0023697 k( 37) = ( 0.2038218 0.6153958 -0.0000000), wk = 0.0023697 k( 38) = ( 0.2094835 0.6324901 -0.0000000), wk = 0.0023697 k( 39) = ( 0.2151452 0.6495844 -0.0000000), wk = 0.0023697 k( 40) = ( 0.2208069 0.6666788 -0.0000000), wk = 0.0023697 k( 41) = ( 0.2264686 0.6837731 -0.0000000), wk = 0.0023697 k( 42) = ( 0.2321304 0.7008674 -0.0000000), wk = 0.0023697 k( 43) = ( 0.2377921 0.7179617 -0.0000000), wk = 0.0023697 k( 44) = ( 0.2434538 0.7350561 -0.0000000), wk = 0.0023697 k( 45) = ( 0.2491155 0.7521504 -0.0000000), wk = 0.0023697 k( 46) = ( 0.2547772 0.7692447 -0.0000000), wk = 0.0023697 k( 47) = ( 0.2604389 0.7863391 -0.0000000), wk = 0.0023697 k( 48) = ( 0.2661006 0.8034334 -0.0000000), wk = 0.0023697 k( 49) = ( 0.2717624 0.8205277 -0.0000000), wk = 0.0023697 k( 50) = ( 0.2774241 0.8376220 -0.0000000), wk = 0.0023697 k( 51) = ( 0.2774241 0.8376220 -0.0000000), wk = 0.0023697 k( 52) = ( 0.2600851 0.8376220 -0.0000000), wk = 0.0023697 k( 53) = ( 0.2427461 0.8376220 -0.0000000), wk = 0.0023697 k( 54) = ( 0.2254071 0.8376220 -0.0000000), wk = 0.0023697 k( 55) = ( 0.2080681 0.8376220 -0.0000000), wk = 0.0023697 k( 56) = ( 0.1907291 0.8376220 -0.0000000), wk = 0.0023697 k( 57) = ( 0.1733900 0.8376220 -0.0000000), wk = 0.0023697 k( 58) = ( 0.1560510 0.8376220 -0.0000000), wk = 0.0023697 k( 59) = ( 0.1387120 0.8376220 -0.0000000), wk = 0.0023697 k( 60) = ( 0.1213730 0.8376220 -0.0000000), wk = 0.0023697 k( 61) = ( 0.1040340 0.8376220 -0.0000000), wk = 0.0023697 k( 62) = ( 0.0866950 0.8376220 -0.0000000), wk = 0.0023697 k( 63) = ( 0.0693560 0.8376220 -0.0000000), wk = 0.0023697 k( 64) = ( 0.0520170 0.8376220 -0.0000000), wk = 0.0023697 k( 65) = ( 0.0346780 0.8376220 -0.0000000), wk = 0.0023697 k( 66) = ( 0.0173390 0.8376220 -0.0000000), wk = 0.0023697 k( 67) = ( 0.0000000 0.8376220 -0.0000000), wk = 0.0023697 k( 68) = ( 0.0000000 0.8376220 -0.0000000), wk = 0.0023697 k( 69) = ( 0.0000000 0.8376220 0.0180173), wk = 0.0023697 k( 70) = ( 0.0000000 0.8376220 0.0360346), wk = 0.0023697 k( 71) = ( 0.0000000 0.8376220 0.0540520), wk = 0.0023697 k( 72) = ( 0.0000000 0.8376220 0.0720693), wk = 0.0023697 k( 73) = ( 0.0000000 0.8376220 0.0900866), wk = 0.0023697 k( 74) = ( 0.0000000 0.8376220 0.1081039), wk = 0.0023697 k( 75) = ( 0.0000000 0.8376220 0.1261212), wk = 0.0023697 k( 76) = ( 0.0000000 0.8376220 0.1441385), wk = 0.0023697 k( 77) = ( 0.0000000 0.8376220 0.1621559), wk = 0.0023697 k( 78) = ( 0.0000000 0.8376220 0.1801732), wk = 0.0023697 k( 79) = ( 0.0000000 0.8376220 0.1981905), wk = 0.0023697 k( 80) = ( 0.0000000 0.8376220 0.2162078), wk = 0.0023697 k( 81) = ( 0.0000000 0.8376220 0.2342251), wk = 0.0023697 k( 82) = ( 0.0000000 0.8376220 0.2522424), wk = 0.0023697 k( 83) = ( 0.0000000 0.8376220 0.2702598), wk = 0.0023697 k( 84) = ( 0.0000000 0.8376220 0.2882771), wk = 0.0023697 k( 85) = ( 0.0000000 0.8376220 0.3062944), wk = 0.0023697 k( 86) = ( 0.0000000 0.8376220 0.3243117), wk = 0.0023697 k( 87) = ( 0.0000000 0.8376220 0.3423290), wk = 0.0023697 k( 88) = ( 0.0000000 0.8376220 0.3603463), wk = 0.0023697 k( 89) = ( 0.0000000 0.8376220 0.3783637), wk = 0.0023697 k( 90) = ( 0.0000000 0.8376220 0.3963810), wk = 0.0023697 k( 91) = ( 0.0000000 0.8376220 0.4143983), wk = 0.0023697 k( 92) = ( 0.0000000 0.8376220 0.4324156), wk = 0.0023697 k( 93) = ( 0.0000000 0.8376220 0.4504329), wk = 0.0023697 k( 94) = ( 0.0000000 0.8376220 0.4684502), wk = 0.0023697 k( 95) = ( 0.0000000 0.8376220 0.4864676), wk = 0.0023697 k( 96) = ( 0.0000000 0.8376220 0.5044849), wk = 0.0023697 k( 97) = ( 0.0000000 0.8376220 0.5225022), wk = 0.0023697 k( 98) = ( 0.0000000 0.8376220 0.5405195), wk = 0.0023697 k( 99) = ( 0.0000000 0.8376220 0.5585368), wk = 0.0023697 k( 100) = ( 0.0000000 0.8376220 0.5765541), wk = 0.0023697 k( 101) = ( 0.0000000 0.8376220 0.5945715), wk = 0.0023697 k( 102) = ( 0.0000000 0.8376220 0.6125888), wk = 0.0023697 k( 103) = ( 0.0000000 0.8376220 0.6306061), wk = 0.0023697 k( 104) = ( 0.0000000 0.8376220 0.6486234), wk = 0.0023697 k( 105) = ( 0.0000000 0.8376220 0.6486234), wk = 0.0023697 k( 106) = ( 0.0173390 0.8376220 0.6486234), wk = 0.0023697 k( 107) = ( 0.0346780 0.8376220 0.6486234), wk = 0.0023697 k( 108) = ( 0.0520170 0.8376220 0.6486234), wk = 0.0023697 k( 109) = ( 0.0693560 0.8376220 0.6486234), wk = 0.0023697 k( 110) = ( 0.0866950 0.8376220 0.6486234), wk = 0.0023697 k( 111) = ( 0.1040340 0.8376220 0.6486234), wk = 0.0023697 k( 112) = ( 0.1213730 0.8376220 0.6486234), wk = 0.0023697 k( 113) = ( 0.1387120 0.8376220 0.6486234), wk = 0.0023697 k( 114) = ( 0.1560510 0.8376220 0.6486234), wk = 0.0023697 k( 115) = ( 0.1733900 0.8376220 0.6486234), wk = 0.0023697 k( 116) = ( 0.1907291 0.8376220 0.6486234), wk = 0.0023697 k( 117) = ( 0.2080681 0.8376220 0.6486234), wk = 0.0023697 k( 118) = ( 0.2254071 0.8376220 0.6486234), wk = 0.0023697 k( 119) = ( 0.2427461 0.8376220 0.6486234), wk = 0.0023697 k( 120) = ( 0.2600851 0.8376220 0.6486234), wk = 0.0023697 k( 121) = ( 0.2774241 0.8376220 0.6486234), wk = 0.0023697 k( 122) = ( 0.2774241 0.8376220 0.6486234), wk = 0.0023697 k( 123) = ( 0.2717624 0.8205277 0.6486234), wk = 0.0023697 k( 124) = ( 0.2661006 0.8034334 0.6486234), wk = 0.0023697 k( 125) = ( 0.2604389 0.7863391 0.6486234), wk = 0.0023697 k( 126) = ( 0.2547772 0.7692447 0.6486234), wk = 0.0023697 k( 127) = ( 0.2491155 0.7521504 0.6486234), wk = 0.0023697 k( 128) = ( 0.2434538 0.7350561 0.6486234), wk = 0.0023697 k( 129) = ( 0.2377921 0.7179617 0.6486234), wk = 0.0023697 k( 130) = ( 0.2321304 0.7008674 0.6486234), wk = 0.0023697 k( 131) = ( 0.2264686 0.6837731 0.6486234), wk = 0.0023697 k( 132) = ( 0.2208069 0.6666788 0.6486234), wk = 0.0023697 k( 133) = ( 0.2151452 0.6495844 0.6486234), wk = 0.0023697 k( 134) = ( 0.2094835 0.6324901 0.6486234), wk = 0.0023697 k( 135) = ( 0.2038218 0.6153958 0.6486234), wk = 0.0023697 k( 136) = ( 0.1981601 0.5983014 0.6486234), wk = 0.0023697 k( 137) = ( 0.1924983 0.5812071 0.6486234), wk = 0.0023697 k( 138) = ( 0.1868366 0.5641128 0.6486234), wk = 0.0023697 k( 139) = ( 0.1811749 0.5470185 0.6486234), wk = 0.0023697 k( 140) = ( 0.1755132 0.5299242 0.6486234), wk = 0.0023697 k( 141) = ( 0.1698515 0.5128298 0.6486234), wk = 0.0023697 k( 142) = ( 0.1641898 0.4957355 0.6486234), wk = 0.0023697 k( 143) = ( 0.1585281 0.4786412 0.6486234), wk = 0.0023697 k( 144) = ( 0.1528663 0.4615468 0.6486234), wk = 0.0023697 k( 145) = ( 0.1472046 0.4444525 0.6486234), wk = 0.0023697 k( 146) = ( 0.1415429 0.4273582 0.6486234), wk = 0.0023697 k( 147) = ( 0.1358812 0.4102638 0.6486234), wk = 0.0023697 k( 148) = ( 0.1302195 0.3931695 0.6486234), wk = 0.0023697 k( 149) = ( 0.1245577 0.3760752 0.6486234), wk = 0.0023697 k( 150) = ( 0.1188960 0.3589809 0.6486234), wk = 0.0023697 k( 151) = ( 0.1132343 0.3418865 0.6486234), wk = 0.0023697 k( 152) = ( 0.1075726 0.3247922 0.6486234), wk = 0.0023697 k( 153) = ( 0.1019109 0.3076979 0.6486234), wk = 0.0023697 k( 154) = ( 0.0962492 0.2906036 0.6486234), wk = 0.0023697 k( 155) = ( 0.0905875 0.2735092 0.6486234), wk = 0.0023697 k( 156) = ( 0.0849257 0.2564149 0.6486234), wk = 0.0023697 k( 157) = ( 0.0792640 0.2393206 0.6486234), wk = 0.0023697 k( 158) = ( 0.0736023 0.2222263 0.6486234), wk = 0.0023697 k( 159) = ( 0.0679406 0.2051319 0.6486234), wk = 0.0023697 k( 160) = ( 0.0622789 0.1880376 0.6486234), wk = 0.0023697 k( 161) = ( 0.0566172 0.1709433 0.6486234), wk = 0.0023697 k( 162) = ( 0.0509554 0.1538489 0.6486234), wk = 0.0023697 k( 163) = ( 0.0452937 0.1367546 0.6486234), wk = 0.0023697 k( 164) = ( 0.0396320 0.1196603 0.6486234), wk = 0.0023697 k( 165) = ( 0.0339703 0.1025660 0.6486234), wk = 0.0023697 k( 166) = ( 0.0283086 0.0854716 0.6486234), wk = 0.0023697 k( 167) = ( 0.0226469 0.0683773 0.6486234), wk = 0.0023697 k( 168) = ( 0.0169852 0.0512830 0.6486234), wk = 0.0023697 k( 169) = ( 0.0113234 0.0341886 0.6486234), wk = 0.0023697 k( 170) = ( 0.0056617 0.0170943 0.6486234), wk = 0.0023697 k( 171) = ( 0.0000000 0.0000000 0.6486234), wk = 0.0023697 k( 172) = ( 0.0000000 0.0000000 0.6486234), wk = 0.0023697 k( 173) = ( 0.0000000 0.0000000 0.6306061), wk = 0.0023697 k( 174) = ( 0.0000000 0.0000000 0.6125888), wk = 0.0023697 k( 175) = ( 0.0000000 0.0000000 0.5945715), wk = 0.0023697 k( 176) = ( 0.0000000 0.0000000 0.5765541), wk = 0.0023697 k( 177) = ( 0.0000000 0.0000000 0.5585368), wk = 0.0023697 k( 178) = ( 0.0000000 0.0000000 0.5405195), wk = 0.0023697 k( 179) = ( 0.0000000 0.0000000 0.5225022), wk = 0.0023697 k( 180) = ( 0.0000000 0.0000000 0.5044849), wk = 0.0023697 k( 181) = ( 0.0000000 0.0000000 0.4864676), wk = 0.0023697 k( 182) = ( 0.0000000 0.0000000 0.4684502), wk = 0.0023697 k( 183) = ( 0.0000000 0.0000000 0.4504329), wk = 0.0023697 k( 184) = ( 0.0000000 0.0000000 0.4324156), wk = 0.0023697 k( 185) = ( 0.0000000 0.0000000 0.4143983), wk = 0.0023697 k( 186) = ( 0.0000000 0.0000000 0.3963810), wk = 0.0023697 k( 187) = ( 0.0000000 0.0000000 0.3783637), wk = 0.0023697 k( 188) = ( 0.0000000 0.0000000 0.3603463), wk = 0.0023697 k( 189) = ( 0.0000000 0.0000000 0.3423290), wk = 0.0023697 k( 190) = ( 0.0000000 0.0000000 0.3243117), wk = 0.0023697 k( 191) = ( 0.0000000 0.0000000 0.3062944), wk = 0.0023697 k( 192) = ( 0.0000000 0.0000000 0.2882771), wk = 0.0023697 k( 193) = ( 0.0000000 0.0000000 0.2702598), wk = 0.0023697 k( 194) = ( 0.0000000 0.0000000 0.2522424), wk = 0.0023697 k( 195) = ( 0.0000000 0.0000000 0.2342251), wk = 0.0023697 k( 196) = ( 0.0000000 0.0000000 0.2162078), wk = 0.0023697 k( 197) = ( 0.0000000 0.0000000 0.1981905), wk = 0.0023697 k( 198) = ( 0.0000000 0.0000000 0.1801732), wk = 0.0023697 k( 199) = ( 0.0000000 0.0000000 0.1621559), wk = 0.0023697 k( 200) = ( 0.0000000 0.0000000 0.1441385), wk = 0.0023697 k( 201) = ( 0.0000000 0.0000000 0.1261212), wk = 0.0023697 k( 202) = ( 0.0000000 0.0000000 0.1081039), wk = 0.0023697 k( 203) = ( 0.0000000 0.0000000 0.0900866), wk = 0.0023697 k( 204) = ( 0.0000000 0.0000000 0.0720693), wk = 0.0023697 k( 205) = ( 0.0000000 0.0000000 0.0540520), wk = 0.0023697 k( 206) = ( 0.0000000 0.0000000 0.0360346), wk = 0.0023697 k( 207) = ( 0.0000000 0.0000000 0.0180173), wk = 0.0023697 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 209) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 210) = ( -0.0172414 0.0057104 -0.0000000), wk = 0.0023697 k( 211) = ( -0.0344828 0.0114208 -0.0000000), wk = 0.0023697 k( 212) = ( -0.0517241 0.0171313 -0.0000000), wk = 0.0023697 k( 213) = ( -0.0689655 0.0228417 -0.0000000), wk = 0.0023697 k( 214) = ( -0.0862069 0.0285521 -0.0000000), wk = 0.0023697 k( 215) = ( -0.1034483 0.0342625 -0.0000000), wk = 0.0023697 k( 216) = ( -0.1206897 0.0399729 -0.0000000), wk = 0.0023697 k( 217) = ( -0.1379310 0.0456834 -0.0000000), wk = 0.0023697 k( 218) = ( -0.1551724 0.0513938 -0.0000000), wk = 0.0023697 k( 219) = ( -0.1724138 0.0571042 -0.0000000), wk = 0.0023697 k( 220) = ( -0.1896552 0.0628146 -0.0000000), wk = 0.0023697 k( 221) = ( -0.2068966 0.0685250 -0.0000000), wk = 0.0023697 k( 222) = ( -0.2241379 0.0742355 -0.0000000), wk = 0.0023697 k( 223) = ( -0.2413793 0.0799459 -0.0000000), wk = 0.0023697 k( 224) = ( -0.2586207 0.0856563 -0.0000000), wk = 0.0023697 k( 225) = ( -0.2758621 0.0913667 -0.0000000), wk = 0.0023697 k( 226) = ( -0.2931034 0.0970771 -0.0000000), wk = 0.0023697 k( 227) = ( -0.3103448 0.1027876 -0.0000000), wk = 0.0023697 k( 228) = ( -0.3275862 0.1084980 -0.0000000), wk = 0.0023697 k( 229) = ( -0.3448276 0.1142084 -0.0000000), wk = 0.0023697 k( 230) = ( -0.3620690 0.1199188 -0.0000000), wk = 0.0023697 k( 231) = ( -0.3793103 0.1256292 -0.0000000), wk = 0.0023697 k( 232) = ( -0.3965517 0.1313397 -0.0000000), wk = 0.0023697 k( 233) = ( -0.4137931 0.1370501 -0.0000000), wk = 0.0023697 k( 234) = ( -0.4310345 0.1427605 -0.0000000), wk = 0.0023697 k( 235) = ( -0.4482759 0.1484709 -0.0000000), wk = 0.0023697 k( 236) = ( -0.4655172 0.1541813 -0.0000000), wk = 0.0023697 k( 237) = ( -0.4827586 0.1598918 -0.0000000), wk = 0.0023697 k( 238) = ( -0.5000000 0.1656022 -0.0000000), wk = 0.0023697 k( 239) = ( -0.5000000 0.1656022 -0.0000000), wk = 0.0023697 k( 240) = ( -0.4942929 0.1828335 -0.0000000), wk = 0.0023697 k( 241) = ( -0.4885858 0.2000647 -0.0000000), wk = 0.0023697 k( 242) = ( -0.4828788 0.2172960 -0.0000000), wk = 0.0023697 k( 243) = ( -0.4771717 0.2345273 -0.0000000), wk = 0.0023697 k( 244) = ( -0.4714646 0.2517586 -0.0000000), wk = 0.0023697 k( 245) = ( -0.4657576 0.2689899 -0.0000000), wk = 0.0023697 k( 246) = ( -0.4600505 0.2862211 -0.0000000), wk = 0.0023697 k( 247) = ( -0.4543434 0.3034524 -0.0000000), wk = 0.0023697 k( 248) = ( -0.4486363 0.3206837 -0.0000000), wk = 0.0023697 k( 249) = ( -0.4429292 0.3379150 -0.0000000), wk = 0.0023697 k( 250) = ( -0.4372222 0.3551462 -0.0000000), wk = 0.0023697 k( 251) = ( -0.4315151 0.3723775 -0.0000000), wk = 0.0023697 k( 252) = ( -0.4258080 0.3896088 -0.0000000), wk = 0.0023697 k( 253) = ( -0.4201009 0.4068401 -0.0000000), wk = 0.0023697 k( 254) = ( -0.4143939 0.4240714 -0.0000000), wk = 0.0023697 k( 255) = ( -0.4086868 0.4413027 -0.0000000), wk = 0.0023697 k( 256) = ( -0.4029797 0.4585339 -0.0000000), wk = 0.0023697 k( 257) = ( -0.3972727 0.4757652 -0.0000000), wk = 0.0023697 k( 258) = ( -0.3915656 0.4929965 -0.0000000), wk = 0.0023697 k( 259) = ( -0.3858585 0.5102277 -0.0000000), wk = 0.0023697 k( 260) = ( -0.3801514 0.5274590 -0.0000000), wk = 0.0023697 k( 261) = ( -0.3744444 0.5446903 -0.0000000), wk = 0.0023697 k( 262) = ( -0.3687373 0.5619216 -0.0000000), wk = 0.0023697 k( 263) = ( -0.3630302 0.5791529 -0.0000000), wk = 0.0023697 k( 264) = ( -0.3573231 0.5963841 -0.0000000), wk = 0.0023697 k( 265) = ( -0.3516161 0.6136154 -0.0000000), wk = 0.0023697 k( 266) = ( -0.3459090 0.6308467 -0.0000000), wk = 0.0023697 k( 267) = ( -0.3402019 0.6480780 -0.0000000), wk = 0.0023697 k( 268) = ( -0.3344948 0.6653093 -0.0000000), wk = 0.0023697 k( 269) = ( -0.3287878 0.6825405 -0.0000000), wk = 0.0023697 k( 270) = ( -0.3230807 0.6997718 -0.0000000), wk = 0.0023697 k( 271) = ( -0.3173736 0.7170031 -0.0000000), wk = 0.0023697 k( 272) = ( -0.3116665 0.7342344 -0.0000000), wk = 0.0023697 k( 273) = ( -0.3059595 0.7514656 -0.0000000), wk = 0.0023697 k( 274) = ( -0.3002524 0.7686969 -0.0000000), wk = 0.0023697 k( 275) = ( -0.2945453 0.7859282 -0.0000000), wk = 0.0023697 k( 276) = ( -0.2888382 0.8031595 -0.0000000), wk = 0.0023697 k( 277) = ( -0.2831312 0.8203908 -0.0000000), wk = 0.0023697 k( 278) = ( -0.2774241 0.8376220 -0.0000000), wk = 0.0023697 k( 279) = ( -0.2774241 0.8376220 -0.0000000), wk = 0.0023697 k( 280) = ( -0.2774241 0.8376220 0.0180173), wk = 0.0023697 k( 281) = ( -0.2774241 0.8376220 0.0360346), wk = 0.0023697 k( 282) = ( -0.2774241 0.8376220 0.0540520), wk = 0.0023697 k( 283) = ( -0.2774241 0.8376220 0.0720693), wk = 0.0023697 k( 284) = ( -0.2774241 0.8376220 0.0900866), wk = 0.0023697 k( 285) = ( -0.2774241 0.8376220 0.1081039), wk = 0.0023697 k( 286) = ( -0.2774241 0.8376220 0.1261212), wk = 0.0023697 k( 287) = ( -0.2774241 0.8376220 0.1441385), wk = 0.0023697 k( 288) = ( -0.2774241 0.8376220 0.1621559), wk = 0.0023697 k( 289) = ( -0.2774241 0.8376220 0.1801732), wk = 0.0023697 k( 290) = ( -0.2774241 0.8376220 0.1981905), wk = 0.0023697 k( 291) = ( -0.2774241 0.8376220 0.2162078), wk = 0.0023697 k( 292) = ( -0.2774241 0.8376220 0.2342251), wk = 0.0023697 k( 293) = ( -0.2774241 0.8376220 0.2522424), wk = 0.0023697 k( 294) = ( -0.2774241 0.8376220 0.2702598), wk = 0.0023697 k( 295) = ( -0.2774241 0.8376220 0.2882771), wk = 0.0023697 k( 296) = ( -0.2774241 0.8376220 0.3062944), wk = 0.0023697 k( 297) = ( -0.2774241 0.8376220 0.3243117), wk = 0.0023697 k( 298) = ( -0.2774241 0.8376220 0.3423290), wk = 0.0023697 k( 299) = ( -0.2774241 0.8376220 0.3603463), wk = 0.0023697 k( 300) = ( -0.2774241 0.8376220 0.3783637), wk = 0.0023697 k( 301) = ( -0.2774241 0.8376220 0.3963810), wk = 0.0023697 k( 302) = ( -0.2774241 0.8376220 0.4143983), wk = 0.0023697 k( 303) = ( -0.2774241 0.8376220 0.4324156), wk = 0.0023697 k( 304) = ( -0.2774241 0.8376220 0.4504329), wk = 0.0023697 k( 305) = ( -0.2774241 0.8376220 0.4684502), wk = 0.0023697 k( 306) = ( -0.2774241 0.8376220 0.4864676), wk = 0.0023697 k( 307) = ( -0.2774241 0.8376220 0.5044849), wk = 0.0023697 k( 308) = ( -0.2774241 0.8376220 0.5225022), wk = 0.0023697 k( 309) = ( -0.2774241 0.8376220 0.5405195), wk = 0.0023697 k( 310) = ( -0.2774241 0.8376220 0.5585368), wk = 0.0023697 k( 311) = ( -0.2774241 0.8376220 0.5765541), wk = 0.0023697 k( 312) = ( -0.2774241 0.8376220 0.5945715), wk = 0.0023697 k( 313) = ( -0.2774241 0.8376220 0.6125888), wk = 0.0023697 k( 314) = ( -0.2774241 0.8376220 0.6306061), wk = 0.0023697 k( 315) = ( -0.2774241 0.8376220 0.6486234), wk = 0.0023697 k( 316) = ( -0.2774241 0.8376220 0.6486234), wk = 0.0023697 k( 317) = ( -0.2831312 0.8203908 0.6486234), wk = 0.0023697 k( 318) = ( -0.2888382 0.8031595 0.6486234), wk = 0.0023697 k( 319) = ( -0.2945453 0.7859282 0.6486234), wk = 0.0023697 k( 320) = ( -0.3002524 0.7686969 0.6486234), wk = 0.0023697 k( 321) = ( -0.3059595 0.7514656 0.6486234), wk = 0.0023697 k( 322) = ( -0.3116665 0.7342344 0.6486234), wk = 0.0023697 k( 323) = ( -0.3173736 0.7170031 0.6486234), wk = 0.0023697 k( 324) = ( -0.3230807 0.6997718 0.6486234), wk = 0.0023697 k( 325) = ( -0.3287878 0.6825405 0.6486234), wk = 0.0023697 k( 326) = ( -0.3344948 0.6653093 0.6486234), wk = 0.0023697 k( 327) = ( -0.3402019 0.6480780 0.6486234), wk = 0.0023697 k( 328) = ( -0.3459090 0.6308467 0.6486234), wk = 0.0023697 k( 329) = ( -0.3516161 0.6136154 0.6486234), wk = 0.0023697 k( 330) = ( -0.3573231 0.5963841 0.6486234), wk = 0.0023697 k( 331) = ( -0.3630302 0.5791529 0.6486234), wk = 0.0023697 k( 332) = ( -0.3687373 0.5619216 0.6486234), wk = 0.0023697 k( 333) = ( -0.3744444 0.5446903 0.6486234), wk = 0.0023697 k( 334) = ( -0.3801514 0.5274590 0.6486234), wk = 0.0023697 k( 335) = ( -0.3858585 0.5102277 0.6486234), wk = 0.0023697 k( 336) = ( -0.3915656 0.4929965 0.6486234), wk = 0.0023697 k( 337) = ( -0.3972727 0.4757652 0.6486234), wk = 0.0023697 k( 338) = ( -0.4029797 0.4585339 0.6486234), wk = 0.0023697 k( 339) = ( -0.4086868 0.4413027 0.6486234), wk = 0.0023697 k( 340) = ( -0.4143939 0.4240714 0.6486234), wk = 0.0023697 k( 341) = ( -0.4201009 0.4068401 0.6486234), wk = 0.0023697 k( 342) = ( -0.4258080 0.3896088 0.6486234), wk = 0.0023697 k( 343) = ( -0.4315151 0.3723775 0.6486234), wk = 0.0023697 k( 344) = ( -0.4372222 0.3551462 0.6486234), wk = 0.0023697 k( 345) = ( -0.4429292 0.3379150 0.6486234), wk = 0.0023697 k( 346) = ( -0.4486363 0.3206837 0.6486234), wk = 0.0023697 k( 347) = ( -0.4543434 0.3034524 0.6486234), wk = 0.0023697 k( 348) = ( -0.4600505 0.2862211 0.6486234), wk = 0.0023697 k( 349) = ( -0.4657576 0.2689899 0.6486234), wk = 0.0023697 k( 350) = ( -0.4714646 0.2517586 0.6486234), wk = 0.0023697 k( 351) = ( -0.4771717 0.2345273 0.6486234), wk = 0.0023697 k( 352) = ( -0.4828788 0.2172960 0.6486234), wk = 0.0023697 k( 353) = ( -0.4885858 0.2000647 0.6486234), wk = 0.0023697 k( 354) = ( -0.4942929 0.1828335 0.6486234), wk = 0.0023697 k( 355) = ( -0.5000000 0.1656022 0.6486234), wk = 0.0023697 k( 356) = ( -0.5000000 0.1656022 0.6486234), wk = 0.0023697 k( 357) = ( -0.5000000 0.1656022 0.6306061), wk = 0.0023697 k( 358) = ( -0.5000000 0.1656022 0.6125888), wk = 0.0023697 k( 359) = ( -0.5000000 0.1656022 0.5945715), wk = 0.0023697 k( 360) = ( -0.5000000 0.1656022 0.5765541), wk = 0.0023697 k( 361) = ( -0.5000000 0.1656022 0.5585368), wk = 0.0023697 k( 362) = ( -0.5000000 0.1656022 0.5405195), wk = 0.0023697 k( 363) = ( -0.5000000 0.1656022 0.5225022), wk = 0.0023697 k( 364) = ( -0.5000000 0.1656022 0.5044849), wk = 0.0023697 k( 365) = ( -0.5000000 0.1656022 0.4864676), wk = 0.0023697 k( 366) = ( -0.5000000 0.1656022 0.4684502), wk = 0.0023697 k( 367) = ( -0.5000000 0.1656022 0.4504329), wk = 0.0023697 k( 368) = ( -0.5000000 0.1656022 0.4324156), wk = 0.0023697 k( 369) = ( -0.5000000 0.1656022 0.4143983), wk = 0.0023697 k( 370) = ( -0.5000000 0.1656022 0.3963810), wk = 0.0023697 k( 371) = ( -0.5000000 0.1656022 0.3783637), wk = 0.0023697 k( 372) = ( -0.5000000 0.1656022 0.3603463), wk = 0.0023697 k( 373) = ( -0.5000000 0.1656022 0.3423290), wk = 0.0023697 k( 374) = ( -0.5000000 0.1656022 0.3243117), wk = 0.0023697 k( 375) = ( -0.5000000 0.1656022 0.3062944), wk = 0.0023697 k( 376) = ( -0.5000000 0.1656022 0.2882771), wk = 0.0023697 k( 377) = ( -0.5000000 0.1656022 0.2702598), wk = 0.0023697 k( 378) = ( -0.5000000 0.1656022 0.2522424), wk = 0.0023697 k( 379) = ( -0.5000000 0.1656022 0.2342251), wk = 0.0023697 k( 380) = ( -0.5000000 0.1656022 0.2162078), wk = 0.0023697 k( 381) = ( -0.5000000 0.1656022 0.1981905), wk = 0.0023697 k( 382) = ( -0.5000000 0.1656022 0.1801732), wk = 0.0023697 k( 383) = ( -0.5000000 0.1656022 0.1621559), wk = 0.0023697 k( 384) = ( -0.5000000 0.1656022 0.1441385), wk = 0.0023697 k( 385) = ( -0.5000000 0.1656022 0.1261212), wk = 0.0023697 k( 386) = ( -0.5000000 0.1656022 0.1081039), wk = 0.0023697 k( 387) = ( -0.5000000 0.1656022 0.0900866), wk = 0.0023697 k( 388) = ( -0.5000000 0.1656022 0.0720693), wk = 0.0023697 k( 389) = ( -0.5000000 0.1656022 0.0540520), wk = 0.0023697 k( 390) = ( -0.5000000 0.1656022 0.0360346), wk = 0.0023697 k( 391) = ( -0.5000000 0.1656022 0.0180173), wk = 0.0023697 k( 392) = ( -0.5000000 0.1656022 -0.0000000), wk = 0.0023697 k( 393) = ( 0.0000000 0.0000000 0.6486234), wk = 0.0023697 k( 394) = ( -0.0172414 0.0057104 0.6486234), wk = 0.0023697 k( 395) = ( -0.0344828 0.0114208 0.6486234), wk = 0.0023697 k( 396) = ( -0.0517241 0.0171313 0.6486234), wk = 0.0023697 k( 397) = ( -0.0689655 0.0228417 0.6486234), wk = 0.0023697 k( 398) = ( -0.0862069 0.0285521 0.6486234), wk = 0.0023697 k( 399) = ( -0.1034483 0.0342625 0.6486234), wk = 0.0023697 k( 400) = ( -0.1206897 0.0399729 0.6486234), wk = 0.0023697 k( 401) = ( -0.1379310 0.0456834 0.6486234), wk = 0.0023697 k( 402) = ( -0.1551724 0.0513938 0.6486234), wk = 0.0023697 k( 403) = ( -0.1724138 0.0571042 0.6486234), wk = 0.0023697 k( 404) = ( -0.1896552 0.0628146 0.6486234), wk = 0.0023697 k( 405) = ( -0.2068966 0.0685250 0.6486234), wk = 0.0023697 k( 406) = ( -0.2241379 0.0742355 0.6486234), wk = 0.0023697 k( 407) = ( -0.2413793 0.0799459 0.6486234), wk = 0.0023697 k( 408) = ( -0.2586207 0.0856563 0.6486234), wk = 0.0023697 k( 409) = ( -0.2758621 0.0913667 0.6486234), wk = 0.0023697 k( 410) = ( -0.2931034 0.0970771 0.6486234), wk = 0.0023697 k( 411) = ( -0.3103448 0.1027876 0.6486234), wk = 0.0023697 k( 412) = ( -0.3275862 0.1084980 0.6486234), wk = 0.0023697 k( 413) = ( -0.3448276 0.1142084 0.6486234), wk = 0.0023697 k( 414) = ( -0.3620690 0.1199188 0.6486234), wk = 0.0023697 k( 415) = ( -0.3793103 0.1256292 0.6486234), wk = 0.0023697 k( 416) = ( -0.3965517 0.1313397 0.6486234), wk = 0.0023697 k( 417) = ( -0.4137931 0.1370501 0.6486234), wk = 0.0023697 k( 418) = ( -0.4310345 0.1427605 0.6486234), wk = 0.0023697 k( 419) = ( -0.4482759 0.1484709 0.6486234), wk = 0.0023697 k( 420) = ( -0.4655172 0.1541813 0.6486234), wk = 0.0023697 k( 421) = ( -0.4827586 0.1598918 0.6486234), wk = 0.0023697 k( 422) = ( -0.5000000 0.1656022 0.6486234), wk = 0.0023697 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 2) = ( 0.0056617 0.0056617 -0.0000000), wk = 0.0023697 k( 3) = ( 0.0113234 0.0113234 -0.0000000), wk = 0.0023697 k( 4) = ( 0.0169852 0.0169852 -0.0000000), wk = 0.0023697 k( 5) = ( 0.0226469 0.0226469 -0.0000000), wk = 0.0023697 k( 6) = ( 0.0283086 0.0283086 -0.0000000), wk = 0.0023697 k( 7) = ( 0.0339703 0.0339703 -0.0000000), wk = 0.0023697 k( 8) = ( 0.0396320 0.0396320 -0.0000000), wk = 0.0023697 k( 9) = ( 0.0452937 0.0452937 -0.0000000), wk = 0.0023697 k( 10) = ( 0.0509554 0.0509554 -0.0000000), wk = 0.0023697 k( 11) = ( 0.0566172 0.0566172 -0.0000000), wk = 0.0023697 k( 12) = ( 0.0622789 0.0622789 0.0000000), wk = 0.0023697 k( 13) = ( 0.0679406 0.0679406 -0.0000000), wk = 0.0023697 k( 14) = ( 0.0736023 0.0736023 0.0000000), wk = 0.0023697 k( 15) = ( 0.0792640 0.0792640 -0.0000000), wk = 0.0023697 k( 16) = ( 0.0849257 0.0849257 -0.0000000), wk = 0.0023697 k( 17) = ( 0.0905875 0.0905875 -0.0000000), wk = 0.0023697 k( 18) = ( 0.0962492 0.0962492 -0.0000000), wk = 0.0023697 k( 19) = ( 0.1019109 0.1019109 -0.0000000), wk = 0.0023697 k( 20) = ( 0.1075726 0.1075726 0.0000000), wk = 0.0023697 k( 21) = ( 0.1132343 0.1132343 -0.0000000), wk = 0.0023697 k( 22) = ( 0.1188960 0.1188960 -0.0000000), wk = 0.0023697 k( 23) = ( 0.1245577 0.1245578 -0.0000000), wk = 0.0023697 k( 24) = ( 0.1302195 0.1302195 -0.0000000), wk = 0.0023697 k( 25) = ( 0.1358812 0.1358812 -0.0000000), wk = 0.0023697 k( 26) = ( 0.1415429 0.1415429 -0.0000000), wk = 0.0023697 k( 27) = ( 0.1472046 0.1472046 0.0000000), wk = 0.0023697 k( 28) = ( 0.1528663 0.1528663 -0.0000000), wk = 0.0023697 k( 29) = ( 0.1585281 0.1585281 -0.0000000), wk = 0.0023697 k( 30) = ( 0.1641898 0.1641898 -0.0000000), wk = 0.0023697 k( 31) = ( 0.1698515 0.1698515 -0.0000000), wk = 0.0023697 k( 32) = ( 0.1755132 0.1755132 -0.0000000), wk = 0.0023697 k( 33) = ( 0.1811749 0.1811749 -0.0000000), wk = 0.0023697 k( 34) = ( 0.1868366 0.1868366 -0.0000000), wk = 0.0023697 k( 35) = ( 0.1924983 0.1924983 -0.0000000), wk = 0.0023697 k( 36) = ( 0.1981601 0.1981601 -0.0000000), wk = 0.0023697 k( 37) = ( 0.2038218 0.2038218 -0.0000000), wk = 0.0023697 k( 38) = ( 0.2094835 0.2094835 -0.0000000), wk = 0.0023697 k( 39) = ( 0.2151452 0.2151452 0.0000000), wk = 0.0023697 k( 40) = ( 0.2208069 0.2208069 -0.0000000), wk = 0.0023697 k( 41) = ( 0.2264686 0.2264686 -0.0000000), wk = 0.0023697 k( 42) = ( 0.2321304 0.2321304 -0.0000000), wk = 0.0023697 k( 43) = ( 0.2377921 0.2377921 -0.0000000), wk = 0.0023697 k( 44) = ( 0.2434538 0.2434538 0.0000000), wk = 0.0023697 k( 45) = ( 0.2491155 0.2491155 -0.0000000), wk = 0.0023697 k( 46) = ( 0.2547772 0.2547772 -0.0000000), wk = 0.0023697 k( 47) = ( 0.2604389 0.2604389 -0.0000000), wk = 0.0023697 k( 48) = ( 0.2661006 0.2661006 -0.0000000), wk = 0.0023697 k( 49) = ( 0.2717624 0.2717624 -0.0000000), wk = 0.0023697 k( 50) = ( 0.2774241 0.2774241 -0.0000000), wk = 0.0023697 k( 51) = ( 0.2774241 0.2774241 -0.0000000), wk = 0.0023697 k( 52) = ( 0.2600851 0.2913351 -0.0000000), wk = 0.0023697 k( 53) = ( 0.2427461 0.3052461 0.0000000), wk = 0.0023697 k( 54) = ( 0.2254071 0.3191571 -0.0000000), wk = 0.0023697 k( 55) = ( 0.2080681 0.3330681 -0.0000000), wk = 0.0023697 k( 56) = ( 0.1907291 0.3469791 -0.0000000), wk = 0.0023697 k( 57) = ( 0.1733900 0.3608901 0.0000000), wk = 0.0023697 k( 58) = ( 0.1560510 0.3748011 0.0000000), wk = 0.0023697 k( 59) = ( 0.1387120 0.3887120 0.0000000), wk = 0.0023697 k( 60) = ( 0.1213730 0.4026230 0.0000000), wk = 0.0023697 k( 61) = ( 0.1040340 0.4165340 -0.0000000), wk = 0.0023697 k( 62) = ( 0.0866950 0.4304450 -0.0000000), wk = 0.0023697 k( 63) = ( 0.0693560 0.4443560 -0.0000000), wk = 0.0023697 k( 64) = ( 0.0520170 0.4582670 -0.0000000), wk = 0.0023697 k( 65) = ( 0.0346780 0.4721780 -0.0000000), wk = 0.0023697 k( 66) = ( 0.0173390 0.4860890 -0.0000000), wk = 0.0023697 k( 67) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023697 k( 68) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0023697 k( 69) = ( 0.0000000 0.5000000 0.0138889), wk = 0.0023697 k( 70) = ( 0.0000000 0.5000000 0.0277778), wk = 0.0023697 k( 71) = ( 0.0000000 0.5000000 0.0416667), wk = 0.0023697 k( 72) = ( 0.0000000 0.5000000 0.0555556), wk = 0.0023697 k( 73) = ( 0.0000000 0.5000000 0.0694444), wk = 0.0023697 k( 74) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0023697 k( 75) = ( 0.0000000 0.5000000 0.0972222), wk = 0.0023697 k( 76) = ( 0.0000000 0.5000000 0.1111111), wk = 0.0023697 k( 77) = ( 0.0000000 0.5000000 0.1250000), wk = 0.0023697 k( 78) = ( 0.0000000 0.5000000 0.1388889), wk = 0.0023697 k( 79) = ( 0.0000000 0.5000000 0.1527778), wk = 0.0023697 k( 80) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0023697 k( 81) = ( 0.0000000 0.5000000 0.1805556), wk = 0.0023697 k( 82) = ( 0.0000000 0.5000000 0.1944444), wk = 0.0023697 k( 83) = ( 0.0000000 0.5000000 0.2083333), wk = 0.0023697 k( 84) = ( 0.0000000 0.5000000 0.2222222), wk = 0.0023697 k( 85) = ( 0.0000000 0.5000000 0.2361111), wk = 0.0023697 k( 86) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0023697 k( 87) = ( 0.0000000 0.5000000 0.2638889), wk = 0.0023697 k( 88) = ( 0.0000000 0.5000000 0.2777778), wk = 0.0023697 k( 89) = ( 0.0000000 0.5000000 0.2916667), wk = 0.0023697 k( 90) = ( 0.0000000 0.5000000 0.3055556), wk = 0.0023697 k( 91) = ( 0.0000000 0.5000000 0.3194444), wk = 0.0023697 k( 92) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0023697 k( 93) = ( 0.0000000 0.5000000 0.3472222), wk = 0.0023697 k( 94) = ( 0.0000000 0.5000000 0.3611111), wk = 0.0023697 k( 95) = ( 0.0000000 0.5000000 0.3750000), wk = 0.0023697 k( 96) = ( 0.0000000 0.5000000 0.3888889), wk = 0.0023697 k( 97) = ( 0.0000000 0.5000000 0.4027778), wk = 0.0023697 k( 98) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0023697 k( 99) = ( 0.0000000 0.5000000 0.4305556), wk = 0.0023697 k( 100) = ( 0.0000000 0.5000000 0.4444444), wk = 0.0023697 k( 101) = ( 0.0000000 0.5000000 0.4583333), wk = 0.0023697 k( 102) = ( 0.0000000 0.5000000 0.4722222), wk = 0.0023697 k( 103) = ( 0.0000000 0.5000000 0.4861111), wk = 0.0023697 k( 104) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023697 k( 105) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023697 k( 106) = ( 0.0173390 0.4860890 0.5000000), wk = 0.0023697 k( 107) = ( 0.0346780 0.4721780 0.5000000), wk = 0.0023697 k( 108) = ( 0.0520170 0.4582670 0.5000000), wk = 0.0023697 k( 109) = ( 0.0693560 0.4443560 0.5000000), wk = 0.0023697 k( 110) = ( 0.0866950 0.4304450 0.5000000), wk = 0.0023697 k( 111) = ( 0.1040340 0.4165340 0.5000000), wk = 0.0023697 k( 112) = ( 0.1213730 0.4026230 0.5000000), wk = 0.0023697 k( 113) = ( 0.1387120 0.3887120 0.5000000), wk = 0.0023697 k( 114) = ( 0.1560510 0.3748011 0.5000000), wk = 0.0023697 k( 115) = ( 0.1733900 0.3608901 0.5000000), wk = 0.0023697 k( 116) = ( 0.1907291 0.3469791 0.5000000), wk = 0.0023697 k( 117) = ( 0.2080681 0.3330681 0.5000000), wk = 0.0023697 k( 118) = ( 0.2254071 0.3191571 0.5000000), wk = 0.0023697 k( 119) = ( 0.2427461 0.3052461 0.5000000), wk = 0.0023697 k( 120) = ( 0.2600851 0.2913351 0.5000000), wk = 0.0023697 k( 121) = ( 0.2774241 0.2774241 0.5000000), wk = 0.0023697 k( 122) = ( 0.2774241 0.2774241 0.5000000), wk = 0.0023697 k( 123) = ( 0.2717624 0.2717624 0.5000000), wk = 0.0023697 k( 124) = ( 0.2661006 0.2661006 0.5000000), wk = 0.0023697 k( 125) = ( 0.2604389 0.2604389 0.5000000), wk = 0.0023697 k( 126) = ( 0.2547772 0.2547772 0.5000000), wk = 0.0023697 k( 127) = ( 0.2491155 0.2491155 0.5000000), wk = 0.0023697 k( 128) = ( 0.2434538 0.2434538 0.5000000), wk = 0.0023697 k( 129) = ( 0.2377921 0.2377921 0.5000000), wk = 0.0023697 k( 130) = ( 0.2321304 0.2321304 0.5000000), wk = 0.0023697 k( 131) = ( 0.2264686 0.2264686 0.5000000), wk = 0.0023697 k( 132) = ( 0.2208069 0.2208069 0.5000000), wk = 0.0023697 k( 133) = ( 0.2151452 0.2151452 0.5000000), wk = 0.0023697 k( 134) = ( 0.2094835 0.2094835 0.5000000), wk = 0.0023697 k( 135) = ( 0.2038218 0.2038218 0.5000000), wk = 0.0023697 k( 136) = ( 0.1981601 0.1981601 0.5000000), wk = 0.0023697 k( 137) = ( 0.1924983 0.1924983 0.5000000), wk = 0.0023697 k( 138) = ( 0.1868366 0.1868366 0.5000000), wk = 0.0023697 k( 139) = ( 0.1811749 0.1811749 0.5000000), wk = 0.0023697 k( 140) = ( 0.1755132 0.1755132 0.5000000), wk = 0.0023697 k( 141) = ( 0.1698515 0.1698515 0.5000000), wk = 0.0023697 k( 142) = ( 0.1641898 0.1641898 0.5000000), wk = 0.0023697 k( 143) = ( 0.1585281 0.1585281 0.5000000), wk = 0.0023697 k( 144) = ( 0.1528663 0.1528663 0.5000000), wk = 0.0023697 k( 145) = ( 0.1472046 0.1472046 0.5000000), wk = 0.0023697 k( 146) = ( 0.1415429 0.1415429 0.5000000), wk = 0.0023697 k( 147) = ( 0.1358812 0.1358812 0.5000000), wk = 0.0023697 k( 148) = ( 0.1302195 0.1302195 0.5000000), wk = 0.0023697 k( 149) = ( 0.1245577 0.1245578 0.5000000), wk = 0.0023697 k( 150) = ( 0.1188960 0.1188960 0.5000000), wk = 0.0023697 k( 151) = ( 0.1132343 0.1132343 0.5000000), wk = 0.0023697 k( 152) = ( 0.1075726 0.1075726 0.5000000), wk = 0.0023697 k( 153) = ( 0.1019109 0.1019109 0.5000000), wk = 0.0023697 k( 154) = ( 0.0962492 0.0962492 0.5000000), wk = 0.0023697 k( 155) = ( 0.0905875 0.0905875 0.5000000), wk = 0.0023697 k( 156) = ( 0.0849257 0.0849257 0.5000000), wk = 0.0023697 k( 157) = ( 0.0792640 0.0792640 0.5000000), wk = 0.0023697 k( 158) = ( 0.0736023 0.0736023 0.5000000), wk = 0.0023697 k( 159) = ( 0.0679406 0.0679406 0.5000000), wk = 0.0023697 k( 160) = ( 0.0622789 0.0622789 0.5000000), wk = 0.0023697 k( 161) = ( 0.0566172 0.0566172 0.5000000), wk = 0.0023697 k( 162) = ( 0.0509554 0.0509554 0.5000000), wk = 0.0023697 k( 163) = ( 0.0452937 0.0452937 0.5000000), wk = 0.0023697 k( 164) = ( 0.0396320 0.0396320 0.5000000), wk = 0.0023697 k( 165) = ( 0.0339703 0.0339703 0.5000000), wk = 0.0023697 k( 166) = ( 0.0283086 0.0283086 0.5000000), wk = 0.0023697 k( 167) = ( 0.0226469 0.0226469 0.5000000), wk = 0.0023697 k( 168) = ( 0.0169852 0.0169852 0.5000000), wk = 0.0023697 k( 169) = ( 0.0113234 0.0113234 0.5000000), wk = 0.0023697 k( 170) = ( 0.0056617 0.0056617 0.5000000), wk = 0.0023697 k( 171) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023697 k( 172) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023697 k( 173) = ( 0.0000000 0.0000000 0.4861111), wk = 0.0023697 k( 174) = ( 0.0000000 0.0000000 0.4722222), wk = 0.0023697 k( 175) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0023697 k( 176) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0023697 k( 177) = ( 0.0000000 0.0000000 0.4305556), wk = 0.0023697 k( 178) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0023697 k( 179) = ( 0.0000000 0.0000000 0.4027778), wk = 0.0023697 k( 180) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0023697 k( 181) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0023697 k( 182) = ( 0.0000000 0.0000000 0.3611111), wk = 0.0023697 k( 183) = ( 0.0000000 0.0000000 0.3472222), wk = 0.0023697 k( 184) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0023697 k( 185) = ( 0.0000000 0.0000000 0.3194444), wk = 0.0023697 k( 186) = ( 0.0000000 0.0000000 0.3055556), wk = 0.0023697 k( 187) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0023697 k( 188) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0023697 k( 189) = ( 0.0000000 0.0000000 0.2638889), wk = 0.0023697 k( 190) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0023697 k( 191) = ( 0.0000000 0.0000000 0.2361111), wk = 0.0023697 k( 192) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0023697 k( 193) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0023697 k( 194) = ( 0.0000000 0.0000000 0.1944444), wk = 0.0023697 k( 195) = ( 0.0000000 0.0000000 0.1805556), wk = 0.0023697 k( 196) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0023697 k( 197) = ( 0.0000000 0.0000000 0.1527778), wk = 0.0023697 k( 198) = ( 0.0000000 0.0000000 0.1388889), wk = 0.0023697 k( 199) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0023697 k( 200) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0023697 k( 201) = ( 0.0000000 0.0000000 0.0972222), wk = 0.0023697 k( 202) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0023697 k( 203) = ( 0.0000000 0.0000000 0.0694444), wk = 0.0023697 k( 204) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0023697 k( 205) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0023697 k( 206) = ( 0.0000000 0.0000000 0.0277778), wk = 0.0023697 k( 207) = ( 0.0000000 0.0000000 0.0138889), wk = 0.0023697 k( 208) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 209) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023697 k( 210) = ( -0.0172414 0.0172414 0.0000000), wk = 0.0023697 k( 211) = ( -0.0344828 0.0344828 0.0000000), wk = 0.0023697 k( 212) = ( -0.0517241 0.0517241 0.0000000), wk = 0.0023697 k( 213) = ( -0.0689655 0.0689655 0.0000000), wk = 0.0023697 k( 214) = ( -0.0862069 0.0862069 0.0000000), wk = 0.0023697 k( 215) = ( -0.1034483 0.1034483 0.0000000), wk = 0.0023697 k( 216) = ( -0.1206897 0.1206897 0.0000000), wk = 0.0023697 k( 217) = ( -0.1379310 0.1379310 0.0000000), wk = 0.0023697 k( 218) = ( -0.1551724 0.1551724 0.0000000), wk = 0.0023697 k( 219) = ( -0.1724138 0.1724138 0.0000000), wk = 0.0023697 k( 220) = ( -0.1896552 0.1896552 0.0000000), wk = 0.0023697 k( 221) = ( -0.2068966 0.2068966 0.0000000), wk = 0.0023697 k( 222) = ( -0.2241379 0.2241379 0.0000000), wk = 0.0023697 k( 223) = ( -0.2413793 0.2413793 0.0000000), wk = 0.0023697 k( 224) = ( -0.2586207 0.2586207 0.0000000), wk = 0.0023697 k( 225) = ( -0.2758621 0.2758621 0.0000000), wk = 0.0023697 k( 226) = ( -0.2931034 0.2931035 0.0000000), wk = 0.0023697 k( 227) = ( -0.3103448 0.3103448 0.0000000), wk = 0.0023697 k( 228) = ( -0.3275862 0.3275862 0.0000000), wk = 0.0023697 k( 229) = ( -0.3448276 0.3448276 0.0000000), wk = 0.0023697 k( 230) = ( -0.3620690 0.3620690 0.0000000), wk = 0.0023697 k( 231) = ( -0.3793103 0.3793103 0.0000000), wk = 0.0023697 k( 232) = ( -0.3965517 0.3965517 0.0000000), wk = 0.0023697 k( 233) = ( -0.4137931 0.4137931 0.0000000), wk = 0.0023697 k( 234) = ( -0.4310345 0.4310345 0.0000000), wk = 0.0023697 k( 235) = ( -0.4482759 0.4482759 0.0000000), wk = 0.0023697 k( 236) = ( -0.4655172 0.4655172 0.0000000), wk = 0.0023697 k( 237) = ( -0.4827586 0.4827586 0.0000000), wk = 0.0023697 k( 238) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023697 k( 239) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023697 k( 240) = ( -0.4942929 0.5057071 0.0000000), wk = 0.0023697 k( 241) = ( -0.4885858 0.5114142 0.0000000), wk = 0.0023697 k( 242) = ( -0.4828788 0.5171212 0.0000000), wk = 0.0023697 k( 243) = ( -0.4771717 0.5228283 0.0000000), wk = 0.0023697 k( 244) = ( -0.4714646 0.5285354 0.0000000), wk = 0.0023697 k( 245) = ( -0.4657576 0.5342425 0.0000000), wk = 0.0023697 k( 246) = ( -0.4600505 0.5399495 0.0000000), wk = 0.0023697 k( 247) = ( -0.4543434 0.5456566 0.0000000), wk = 0.0023697 k( 248) = ( -0.4486363 0.5513637 0.0000000), wk = 0.0023697 k( 249) = ( -0.4429292 0.5570707 0.0000000), wk = 0.0023697 k( 250) = ( -0.4372222 0.5627778 0.0000000), wk = 0.0023697 k( 251) = ( -0.4315151 0.5684849 0.0000000), wk = 0.0023697 k( 252) = ( -0.4258080 0.5741920 0.0000000), wk = 0.0023697 k( 253) = ( -0.4201009 0.5798991 0.0000000), wk = 0.0023697 k( 254) = ( -0.4143939 0.5856061 0.0000000), wk = 0.0023697 k( 255) = ( -0.4086868 0.5913132 0.0000000), wk = 0.0023697 k( 256) = ( -0.4029797 0.5970203 0.0000000), wk = 0.0023697 k( 257) = ( -0.3972727 0.6027273 -0.0000000), wk = 0.0023697 k( 258) = ( -0.3915656 0.6084344 0.0000000), wk = 0.0023697 k( 259) = ( -0.3858585 0.6141415 -0.0000000), wk = 0.0023697 k( 260) = ( -0.3801514 0.6198486 -0.0000000), wk = 0.0023697 k( 261) = ( -0.3744444 0.6255556 0.0000000), wk = 0.0023697 k( 262) = ( -0.3687373 0.6312627 0.0000000), wk = 0.0023697 k( 263) = ( -0.3630302 0.6369698 0.0000000), wk = 0.0023697 k( 264) = ( -0.3573231 0.6426769 0.0000000), wk = 0.0023697 k( 265) = ( -0.3516161 0.6483839 -0.0000000), wk = 0.0023697 k( 266) = ( -0.3459090 0.6540910 0.0000000), wk = 0.0023697 k( 267) = ( -0.3402019 0.6597981 -0.0000000), wk = 0.0023697 k( 268) = ( -0.3344948 0.6655052 -0.0000000), wk = 0.0023697 k( 269) = ( -0.3287878 0.6712122 0.0000000), wk = 0.0023697 k( 270) = ( -0.3230807 0.6769193 -0.0000000), wk = 0.0023697 k( 271) = ( -0.3173736 0.6826264 0.0000000), wk = 0.0023697 k( 272) = ( -0.3116665 0.6883335 0.0000000), wk = 0.0023697 k( 273) = ( -0.3059595 0.6940405 -0.0000000), wk = 0.0023697 k( 274) = ( -0.3002524 0.6997476 -0.0000000), wk = 0.0023697 k( 275) = ( -0.2945453 0.7054547 0.0000000), wk = 0.0023697 k( 276) = ( -0.2888382 0.7111618 0.0000000), wk = 0.0023697 k( 277) = ( -0.2831312 0.7168688 0.0000000), wk = 0.0023697 k( 278) = ( -0.2774241 0.7225759 0.0000000), wk = 0.0023697 k( 279) = ( -0.2774241 0.7225759 0.0000000), wk = 0.0023697 k( 280) = ( -0.2774241 0.7225759 0.0138889), wk = 0.0023697 k( 281) = ( -0.2774241 0.7225759 0.0277778), wk = 0.0023697 k( 282) = ( -0.2774241 0.7225759 0.0416667), wk = 0.0023697 k( 283) = ( -0.2774241 0.7225759 0.0555556), wk = 0.0023697 k( 284) = ( -0.2774241 0.7225759 0.0694444), wk = 0.0023697 k( 285) = ( -0.2774241 0.7225759 0.0833333), wk = 0.0023697 k( 286) = ( -0.2774241 0.7225759 0.0972222), wk = 0.0023697 k( 287) = ( -0.2774241 0.7225759 0.1111111), wk = 0.0023697 k( 288) = ( -0.2774241 0.7225759 0.1250000), wk = 0.0023697 k( 289) = ( -0.2774241 0.7225759 0.1388889), wk = 0.0023697 k( 290) = ( -0.2774241 0.7225759 0.1527778), wk = 0.0023697 k( 291) = ( -0.2774241 0.7225759 0.1666667), wk = 0.0023697 k( 292) = ( -0.2774241 0.7225759 0.1805556), wk = 0.0023697 k( 293) = ( -0.2774241 0.7225759 0.1944444), wk = 0.0023697 k( 294) = ( -0.2774241 0.7225759 0.2083333), wk = 0.0023697 k( 295) = ( -0.2774241 0.7225759 0.2222222), wk = 0.0023697 k( 296) = ( -0.2774241 0.7225759 0.2361111), wk = 0.0023697 k( 297) = ( -0.2774241 0.7225759 0.2500000), wk = 0.0023697 k( 298) = ( -0.2774241 0.7225759 0.2638889), wk = 0.0023697 k( 299) = ( -0.2774241 0.7225759 0.2777778), wk = 0.0023697 k( 300) = ( -0.2774241 0.7225759 0.2916667), wk = 0.0023697 k( 301) = ( -0.2774241 0.7225759 0.3055556), wk = 0.0023697 k( 302) = ( -0.2774241 0.7225759 0.3194444), wk = 0.0023697 k( 303) = ( -0.2774241 0.7225759 0.3333333), wk = 0.0023697 k( 304) = ( -0.2774241 0.7225759 0.3472222), wk = 0.0023697 k( 305) = ( -0.2774241 0.7225759 0.3611111), wk = 0.0023697 k( 306) = ( -0.2774241 0.7225759 0.3750000), wk = 0.0023697 k( 307) = ( -0.2774241 0.7225759 0.3888889), wk = 0.0023697 k( 308) = ( -0.2774241 0.7225759 0.4027778), wk = 0.0023697 k( 309) = ( -0.2774241 0.7225759 0.4166667), wk = 0.0023697 k( 310) = ( -0.2774241 0.7225759 0.4305556), wk = 0.0023697 k( 311) = ( -0.2774241 0.7225759 0.4444444), wk = 0.0023697 k( 312) = ( -0.2774241 0.7225759 0.4583333), wk = 0.0023697 k( 313) = ( -0.2774241 0.7225759 0.4722222), wk = 0.0023697 k( 314) = ( -0.2774241 0.7225759 0.4861111), wk = 0.0023697 k( 315) = ( -0.2774241 0.7225759 0.5000000), wk = 0.0023697 k( 316) = ( -0.2774241 0.7225759 0.5000000), wk = 0.0023697 k( 317) = ( -0.2831312 0.7168688 0.5000000), wk = 0.0023697 k( 318) = ( -0.2888382 0.7111618 0.5000000), wk = 0.0023697 k( 319) = ( -0.2945453 0.7054547 0.5000000), wk = 0.0023697 k( 320) = ( -0.3002524 0.6997476 0.5000000), wk = 0.0023697 k( 321) = ( -0.3059595 0.6940405 0.5000000), wk = 0.0023697 k( 322) = ( -0.3116665 0.6883335 0.5000000), wk = 0.0023697 k( 323) = ( -0.3173736 0.6826264 0.5000000), wk = 0.0023697 k( 324) = ( -0.3230807 0.6769193 0.5000000), wk = 0.0023697 k( 325) = ( -0.3287878 0.6712122 0.5000000), wk = 0.0023697 k( 326) = ( -0.3344948 0.6655052 0.5000000), wk = 0.0023697 k( 327) = ( -0.3402019 0.6597981 0.5000000), wk = 0.0023697 k( 328) = ( -0.3459090 0.6540910 0.5000000), wk = 0.0023697 k( 329) = ( -0.3516161 0.6483839 0.5000000), wk = 0.0023697 k( 330) = ( -0.3573231 0.6426769 0.5000000), wk = 0.0023697 k( 331) = ( -0.3630302 0.6369698 0.5000000), wk = 0.0023697 k( 332) = ( -0.3687373 0.6312627 0.5000000), wk = 0.0023697 k( 333) = ( -0.3744444 0.6255556 0.5000000), wk = 0.0023697 k( 334) = ( -0.3801514 0.6198486 0.5000000), wk = 0.0023697 k( 335) = ( -0.3858585 0.6141415 0.5000000), wk = 0.0023697 k( 336) = ( -0.3915656 0.6084344 0.5000000), wk = 0.0023697 k( 337) = ( -0.3972727 0.6027273 0.5000000), wk = 0.0023697 k( 338) = ( -0.4029797 0.5970203 0.5000000), wk = 0.0023697 k( 339) = ( -0.4086868 0.5913132 0.5000000), wk = 0.0023697 k( 340) = ( -0.4143939 0.5856061 0.5000000), wk = 0.0023697 k( 341) = ( -0.4201009 0.5798991 0.5000000), wk = 0.0023697 k( 342) = ( -0.4258080 0.5741920 0.5000000), wk = 0.0023697 k( 343) = ( -0.4315151 0.5684849 0.5000000), wk = 0.0023697 k( 344) = ( -0.4372222 0.5627778 0.5000000), wk = 0.0023697 k( 345) = ( -0.4429292 0.5570707 0.5000000), wk = 0.0023697 k( 346) = ( -0.4486363 0.5513637 0.5000000), wk = 0.0023697 k( 347) = ( -0.4543434 0.5456566 0.5000000), wk = 0.0023697 k( 348) = ( -0.4600505 0.5399495 0.5000000), wk = 0.0023697 k( 349) = ( -0.4657576 0.5342425 0.5000000), wk = 0.0023697 k( 350) = ( -0.4714646 0.5285354 0.5000000), wk = 0.0023697 k( 351) = ( -0.4771717 0.5228283 0.5000000), wk = 0.0023697 k( 352) = ( -0.4828788 0.5171212 0.5000000), wk = 0.0023697 k( 353) = ( -0.4885858 0.5114142 0.5000000), wk = 0.0023697 k( 354) = ( -0.4942929 0.5057071 0.5000000), wk = 0.0023697 k( 355) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023697 k( 356) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023697 k( 357) = ( -0.5000000 0.5000000 0.4861111), wk = 0.0023697 k( 358) = ( -0.5000000 0.5000000 0.4722222), wk = 0.0023697 k( 359) = ( -0.5000000 0.5000000 0.4583333), wk = 0.0023697 k( 360) = ( -0.5000000 0.5000000 0.4444444), wk = 0.0023697 k( 361) = ( -0.5000000 0.5000000 0.4305556), wk = 0.0023697 k( 362) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0023697 k( 363) = ( -0.5000000 0.5000000 0.4027778), wk = 0.0023697 k( 364) = ( -0.5000000 0.5000000 0.3888889), wk = 0.0023697 k( 365) = ( -0.5000000 0.5000000 0.3750000), wk = 0.0023697 k( 366) = ( -0.5000000 0.5000000 0.3611111), wk = 0.0023697 k( 367) = ( -0.5000000 0.5000000 0.3472222), wk = 0.0023697 k( 368) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0023697 k( 369) = ( -0.5000000 0.5000000 0.3194444), wk = 0.0023697 k( 370) = ( -0.5000000 0.5000000 0.3055556), wk = 0.0023697 k( 371) = ( -0.5000000 0.5000000 0.2916667), wk = 0.0023697 k( 372) = ( -0.5000000 0.5000000 0.2777778), wk = 0.0023697 k( 373) = ( -0.5000000 0.5000000 0.2638889), wk = 0.0023697 k( 374) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0023697 k( 375) = ( -0.5000000 0.5000000 0.2361111), wk = 0.0023697 k( 376) = ( -0.5000000 0.5000000 0.2222222), wk = 0.0023697 k( 377) = ( -0.5000000 0.5000000 0.2083333), wk = 0.0023697 k( 378) = ( -0.5000000 0.5000000 0.1944444), wk = 0.0023697 k( 379) = ( -0.5000000 0.5000000 0.1805556), wk = 0.0023697 k( 380) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0023697 k( 381) = ( -0.5000000 0.5000000 0.1527778), wk = 0.0023697 k( 382) = ( -0.5000000 0.5000000 0.1388889), wk = 0.0023697 k( 383) = ( -0.5000000 0.5000000 0.1250000), wk = 0.0023697 k( 384) = ( -0.5000000 0.5000000 0.1111111), wk = 0.0023697 k( 385) = ( -0.5000000 0.5000000 0.0972222), wk = 0.0023697 k( 386) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0023697 k( 387) = ( -0.5000000 0.5000000 0.0694444), wk = 0.0023697 k( 388) = ( -0.5000000 0.5000000 0.0555556), wk = 0.0023697 k( 389) = ( -0.5000000 0.5000000 0.0416667), wk = 0.0023697 k( 390) = ( -0.5000000 0.5000000 0.0277778), wk = 0.0023697 k( 391) = ( -0.5000000 0.5000000 0.0138889), wk = 0.0023697 k( 392) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023697 k( 393) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023697 k( 394) = ( -0.0172414 0.0172414 0.5000000), wk = 0.0023697 k( 395) = ( -0.0344828 0.0344828 0.5000000), wk = 0.0023697 k( 396) = ( -0.0517241 0.0517241 0.5000000), wk = 0.0023697 k( 397) = ( -0.0689655 0.0689655 0.5000000), wk = 0.0023697 k( 398) = ( -0.0862069 0.0862069 0.5000000), wk = 0.0023697 k( 399) = ( -0.1034483 0.1034483 0.5000000), wk = 0.0023697 k( 400) = ( -0.1206897 0.1206897 0.5000000), wk = 0.0023697 k( 401) = ( -0.1379310 0.1379310 0.5000000), wk = 0.0023697 k( 402) = ( -0.1551724 0.1551724 0.5000000), wk = 0.0023697 k( 403) = ( -0.1724138 0.1724138 0.5000000), wk = 0.0023697 k( 404) = ( -0.1896552 0.1896552 0.5000000), wk = 0.0023697 k( 405) = ( -0.2068966 0.2068966 0.5000000), wk = 0.0023697 k( 406) = ( -0.2241379 0.2241379 0.5000000), wk = 0.0023697 k( 407) = ( -0.2413793 0.2413793 0.5000000), wk = 0.0023697 k( 408) = ( -0.2586207 0.2586207 0.5000000), wk = 0.0023697 k( 409) = ( -0.2758621 0.2758621 0.5000000), wk = 0.0023697 k( 410) = ( -0.2931034 0.2931035 0.5000000), wk = 0.0023697 k( 411) = ( -0.3103448 0.3103448 0.5000000), wk = 0.0023697 k( 412) = ( -0.3275862 0.3275862 0.5000000), wk = 0.0023697 k( 413) = ( -0.3448276 0.3448276 0.5000000), wk = 0.0023697 k( 414) = ( -0.3620690 0.3620690 0.5000000), wk = 0.0023697 k( 415) = ( -0.3793103 0.3793103 0.5000000), wk = 0.0023697 k( 416) = ( -0.3965517 0.3965517 0.5000000), wk = 0.0023697 k( 417) = ( -0.4137931 0.4137931 0.5000000), wk = 0.0023697 k( 418) = ( -0.4310345 0.4310345 0.5000000), wk = 0.0023697 k( 419) = ( -0.4482759 0.4482759 0.5000000), wk = 0.0023697 k( 420) = ( -0.4655172 0.4655172 0.5000000), wk = 0.0023697 k( 421) = ( -0.4827586 0.4827586 0.5000000), wk = 0.0023697 k( 422) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023697 Dense grid: 10773 G-vectors FFT dimensions: ( 36, 36, 27) Smooth grid: 7231 G-vectors FFT dimensions: ( 32, 32, 24) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.02 Mb ( 56, 28) NL pseudopotentials 0.02 Mb ( 28, 56) Each V/rho on FFT grid 0.02 Mb ( 1296) Each G-vector array 0.00 Mb ( 300) G-vector shells 0.00 Mb ( 158) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.10 Mb ( 56, 112) Each subspace H/S matrix 0.01 Mb ( 28, 28) Each matrix 0.05 Mb ( 56, 2, 28) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./As.save/charge-density.dat Starting wfc are 32 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.2 secs Computing kpt #: 2 total cpu time spent up to now is 1.4 secs Computing kpt #: 3 total cpu time spent up to now is 1.4 secs Computing kpt #: 4 total cpu time spent up to now is 1.5 secs Computing kpt #: 5 total cpu time spent up to now is 1.6 secs Computing kpt #: 6 total cpu time spent up to now is 1.7 secs Computing kpt #: 7 total cpu time spent up to now is 1.7 secs Computing kpt #: 8 total cpu time spent up to now is 1.8 secs Computing kpt #: 9 total cpu time spent up to now is 1.9 secs Computing kpt #: 10 total cpu time spent up to now is 2.0 secs Computing kpt #: 11 total cpu time spent up to now is 2.1 secs Computing kpt #: 12 total cpu time spent up to now is 2.1 secs Computing kpt #: 13 total cpu time spent up to now is 2.2 secs Computing kpt #: 14 total cpu time spent up to now is 2.3 secs Computing kpt #: 15 total cpu time spent up to now is 2.4 secs Computing kpt #: 16 total cpu time spent up to now is 2.5 secs Computing kpt #: 17 total cpu time spent up to now is 2.6 secs Computing kpt #: 18 total cpu time spent up to now is 2.6 secs Computing kpt #: 19 total cpu time spent up to now is 2.7 secs Computing kpt #: 20 total cpu time spent up to now is 2.8 secs Computing kpt #: 21 total cpu time spent up to now is 2.9 secs Computing kpt #: 22 total cpu time spent up to now is 3.0 secs Computing kpt #: 23 total cpu time spent up to now is 3.1 secs Computing kpt #: 24 total cpu time spent up to now is 3.2 secs Computing kpt #: 25 total cpu time spent up to now is 3.3 secs Computing kpt #: 26 total cpu time spent up to now is 3.4 secs Computing kpt #: 27 total cpu time spent up to now is 3.5 secs Computing kpt #: 28 total cpu time spent up to now is 3.6 secs Computing kpt #: 29 total cpu time spent up to now is 3.6 secs Computing kpt #: 30 total cpu time spent up to now is 3.7 secs Computing kpt #: 31 total cpu time spent up to now is 3.8 secs Computing kpt #: 32 total cpu time spent up to now is 3.9 secs Computing kpt #: 33 total cpu time spent up to now is 4.0 secs Computing kpt #: 34 total cpu time spent up to now is 4.1 secs Computing kpt #: 35 total cpu time spent up to now is 4.2 secs Computing kpt #: 36 total cpu time spent up to now is 4.3 secs Computing kpt #: 37 total cpu time spent up to now is 4.4 secs Computing kpt #: 38 total cpu time spent up to now is 4.5 secs Computing kpt #: 39 total cpu time spent up to now is 4.6 secs Computing kpt #: 40 total cpu time spent up to now is 4.7 secs Computing kpt #: 41 total cpu time spent up to now is 4.8 secs Computing kpt #: 42 total cpu time spent up to now is 4.9 secs Computing kpt #: 43 total cpu time spent up to now is 4.9 secs Computing kpt #: 44 total cpu time spent up to now is 5.0 secs Computing kpt #: 45 total cpu time spent up to now is 5.1 secs Computing kpt #: 46 total cpu time spent up to now is 5.2 secs Computing kpt #: 47 total cpu time spent up to now is 5.2 secs Computing kpt #: 48 total cpu time spent up to now is 5.3 secs Computing kpt #: 49 total cpu time spent up to now is 5.4 secs Computing kpt #: 50 total cpu time spent up to now is 5.5 secs Computing kpt #: 51 total cpu time spent up to now is 5.6 secs Computing kpt #: 52 total cpu time spent up to now is 5.6 secs Computing kpt #: 53 total cpu time spent up to now is 5.7 secs Computing kpt #: 54 total cpu time spent up to now is 5.8 secs Computing kpt #: 55 total cpu time spent up to now is 5.9 secs Computing kpt #: 56 total cpu time spent up to now is 6.0 secs Computing kpt #: 57 total cpu time spent up to now is 6.2 secs Computing kpt #: 58 total cpu time spent up to now is 6.3 secs Computing kpt #: 59 total cpu time spent up to now is 6.4 secs Computing kpt #: 60 total cpu time spent up to now is 6.5 secs Computing kpt #: 61 total cpu time spent up to now is 6.5 secs Computing kpt #: 62 total cpu time spent up to now is 6.6 secs Computing kpt #: 63 total cpu time spent up to now is 6.7 secs Computing kpt #: 64 total cpu time spent up to now is 6.8 secs Computing kpt #: 65 total cpu time spent up to now is 6.9 secs Computing kpt #: 66 total cpu time spent up to now is 7.0 secs Computing kpt #: 67 total cpu time spent up to now is 7.1 secs Computing kpt #: 68 total cpu time spent up to now is 7.2 secs Computing kpt #: 69 total cpu time spent up to now is 7.3 secs Computing kpt #: 70 total cpu time spent up to now is 7.4 secs Computing kpt #: 71 total cpu time spent up to now is 7.4 secs Computing kpt #: 72 total cpu time spent up to now is 7.5 secs Computing kpt #: 73 total cpu time spent up to now is 7.6 secs Computing kpt #: 74 total cpu time spent up to now is 7.7 secs Computing kpt #: 75 total cpu time spent up to now is 7.8 secs Computing kpt #: 76 total cpu time spent up to now is 7.9 secs Computing kpt #: 77 total cpu time spent up to now is 8.0 secs Computing kpt #: 78 total cpu time spent up to now is 8.1 secs Computing kpt #: 79 total cpu time spent up to now is 8.2 secs Computing kpt #: 80 total cpu time spent up to now is 8.3 secs Computing kpt #: 81 total cpu time spent up to now is 8.4 secs Computing kpt #: 82 total cpu time spent up to now is 8.5 secs Computing kpt #: 83 total cpu time spent up to now is 8.6 secs Computing kpt #: 84 total cpu time spent up to now is 8.7 secs Computing kpt #: 85 total cpu time spent up to now is 8.8 secs Computing kpt #: 86 total cpu time spent up to now is 8.9 secs Computing kpt #: 87 total cpu time spent up to now is 9.0 secs Computing kpt #: 88 total cpu time spent up to now is 9.1 secs Computing kpt #: 89 total cpu time spent up to now is 9.1 secs Computing kpt #: 90 total cpu time spent up to now is 9.2 secs Computing kpt #: 91 total cpu time spent up to now is 9.3 secs Computing kpt #: 92 total cpu time spent up to now is 9.4 secs Computing kpt #: 93 total cpu time spent up to now is 9.5 secs Computing kpt #: 94 total cpu time spent up to now is 9.6 secs Computing kpt #: 95 total cpu time spent up to now is 9.7 secs Computing kpt #: 96 total cpu time spent up to now is 9.8 secs Computing kpt #: 97 total cpu time spent up to now is 9.9 secs Computing kpt #: 98 total cpu time spent up to now is 9.9 secs Computing kpt #: 99 total cpu time spent up to now is 10.0 secs Computing kpt #: 100 total cpu time spent up to now is 10.1 secs Computing kpt #: 101 total cpu time spent up to now is 10.2 secs Computing kpt #: 102 total cpu time spent up to now is 10.3 secs Computing kpt #: 103 total cpu time spent up to now is 10.4 secs Computing kpt #: 104 total cpu time spent up to now is 10.5 secs Computing kpt #: 105 total cpu time spent up to now is 10.5 secs Computing kpt #: 106 total cpu time spent up to now is 10.6 secs Computing kpt #: 107 total cpu time spent up to now is 10.7 secs Computing kpt #: 108 total cpu time spent up to now is 10.8 secs Computing kpt #: 109 total cpu time spent up to now is 10.9 secs Computing kpt #: 110 total cpu time spent up to now is 11.0 secs Computing kpt #: 111 total cpu time spent up to now is 11.0 secs Computing kpt #: 112 total cpu time spent up to now is 11.1 secs Computing kpt #: 113 total cpu time spent up to now is 11.2 secs Computing kpt #: 114 total cpu time spent up to now is 11.3 secs Computing kpt #: 115 total cpu time spent up to now is 11.4 secs Computing kpt #: 116 total cpu time spent up to now is 11.5 secs Computing kpt #: 117 total cpu time spent up to now is 11.6 secs Computing kpt #: 118 total cpu time spent up to now is 11.7 secs Computing kpt #: 119 total cpu time spent up to now is 11.8 secs Computing kpt #: 120 total cpu time spent up to now is 11.9 secs Computing kpt #: 121 total cpu time spent up to now is 12.0 secs Computing kpt #: 122 total cpu time spent up to now is 12.1 secs Computing kpt #: 123 total cpu time spent up to now is 12.2 secs Computing kpt #: 124 total cpu time spent up to now is 12.3 secs Computing kpt #: 125 total cpu time spent up to now is 12.4 secs Computing kpt #: 126 total cpu time spent up to now is 12.5 secs Computing kpt #: 127 total cpu time spent up to now is 12.6 secs Computing kpt #: 128 total cpu time spent up to now is 12.7 secs Computing kpt #: 129 total cpu time spent up to now is 12.8 secs Computing kpt #: 130 total cpu time spent up to now is 12.9 secs Computing kpt #: 131 total cpu time spent up to now is 13.0 secs Computing kpt #: 132 total cpu time spent up to now is 13.1 secs Computing kpt #: 133 total cpu time spent up to now is 13.2 secs Computing kpt #: 134 total cpu time spent up to now is 13.3 secs Computing kpt #: 135 total cpu time spent up to now is 13.4 secs Computing kpt #: 136 total cpu time spent up to now is 13.5 secs Computing kpt #: 137 total cpu time spent up to now is 13.5 secs Computing kpt #: 138 total cpu time spent up to now is 13.6 secs Computing kpt #: 139 total cpu time spent up to now is 13.7 secs Computing kpt #: 140 total cpu time spent up to now is 13.8 secs Computing kpt #: 141 total cpu time spent up to now is 13.9 secs Computing kpt #: 142 total cpu time spent up to now is 14.0 secs Computing kpt #: 143 total cpu time spent up to now is 14.1 secs Computing kpt #: 144 total cpu time spent up to now is 14.2 secs Computing kpt #: 145 total cpu time spent up to now is 14.3 secs Computing kpt #: 146 total cpu time spent up to now is 14.4 secs Computing kpt #: 147 total cpu time spent up to now is 14.5 secs Computing kpt #: 148 total cpu time spent up to now is 14.6 secs Computing kpt #: 149 total cpu time spent up to now is 14.7 secs Computing kpt #: 150 total cpu time spent up to now is 14.8 secs Computing kpt #: 151 total cpu time spent up to now is 14.9 secs Computing kpt #: 152 total cpu time spent up to now is 15.0 secs Computing kpt #: 153 total cpu time spent up to now is 15.1 secs Computing kpt #: 154 total cpu time spent up to now is 15.2 secs Computing kpt #: 155 total cpu time spent up to now is 15.3 secs Computing kpt #: 156 total cpu time spent up to now is 15.4 secs Computing kpt #: 157 total cpu time spent up to now is 15.5 secs Computing kpt #: 158 total cpu time spent up to now is 15.6 secs Computing kpt #: 159 total cpu time spent up to now is 15.7 secs Computing kpt #: 160 total cpu time spent up to now is 15.8 secs Computing kpt #: 161 total cpu time spent up to now is 15.9 secs Computing kpt #: 162 total cpu time spent up to now is 16.0 secs Computing kpt #: 163 total cpu time spent up to now is 16.0 secs Computing kpt #: 164 total cpu time spent up to now is 16.2 secs Computing kpt #: 165 total cpu time spent up to now is 16.3 secs Computing kpt #: 166 total cpu time spent up to now is 16.4 secs Computing kpt #: 167 total cpu time spent up to now is 16.5 secs Computing kpt #: 168 total cpu time spent up to now is 16.5 secs Computing kpt #: 169 total cpu time spent up to now is 16.6 secs Computing kpt #: 170 total cpu time spent up to now is 16.7 secs Computing kpt #: 171 total cpu time spent up to now is 16.7 secs Computing kpt #: 172 total cpu time spent up to now is 16.8 secs Computing kpt #: 173 total cpu time spent up to now is 16.9 secs Computing kpt #: 174 total cpu time spent up to now is 16.9 secs Computing kpt #: 175 total cpu time spent up to now is 17.0 secs Computing kpt #: 176 total cpu time spent up to now is 17.1 secs Computing kpt #: 177 total cpu time spent up to now is 17.1 secs Computing kpt #: 178 total cpu time spent up to now is 17.2 secs Computing kpt #: 179 total cpu time spent up to now is 17.3 secs Computing kpt #: 180 total cpu time spent up to now is 17.4 secs Computing kpt #: 181 total cpu time spent up to now is 17.5 secs Computing kpt #: 182 total cpu time spent up to now is 17.5 secs Computing kpt #: 183 total cpu time spent up to now is 17.6 secs Computing kpt #: 184 total cpu time spent up to now is 17.7 secs Computing kpt #: 185 total cpu time spent up to now is 17.8 secs Computing kpt #: 186 total cpu time spent up to now is 17.9 secs Computing kpt #: 187 total cpu time spent up to now is 18.0 secs Computing kpt #: 188 total cpu time spent up to now is 18.1 secs Computing kpt #: 189 total cpu time spent up to now is 18.2 secs Computing kpt #: 190 total cpu time spent up to now is 18.2 secs Computing kpt #: 191 total cpu time spent up to now is 18.3 secs Computing kpt #: 192 total cpu time spent up to now is 18.4 secs Computing kpt #: 193 total cpu time spent up to now is 18.5 secs Computing kpt #: 194 total cpu time spent up to now is 18.5 secs Computing kpt #: 195 total cpu time spent up to now is 18.6 secs Computing kpt #: 196 total cpu time spent up to now is 18.7 secs Computing kpt #: 197 total cpu time spent up to now is 18.7 secs Computing kpt #: 198 total cpu time spent up to now is 18.8 secs Computing kpt #: 199 total cpu time spent up to now is 18.9 secs Computing kpt #: 200 total cpu time spent up to now is 19.0 secs Computing kpt #: 201 total cpu time spent up to now is 19.0 secs Computing kpt #: 202 total cpu time spent up to now is 19.1 secs Computing kpt #: 203 total cpu time spent up to now is 19.2 secs Computing kpt #: 204 total cpu time spent up to now is 19.3 secs Computing kpt #: 205 total cpu time spent up to now is 19.3 secs Computing kpt #: 206 total cpu time spent up to now is 19.4 secs Computing kpt #: 207 total cpu time spent up to now is 19.5 secs Computing kpt #: 208 total cpu time spent up to now is 19.6 secs Computing kpt #: 209 total cpu time spent up to now is 19.6 secs Computing kpt #: 210 total cpu time spent up to now is 19.7 secs Computing kpt #: 211 total cpu time spent up to now is 19.8 secs Computing kpt #: 212 total cpu time spent up to now is 19.8 secs Computing kpt #: 213 total cpu time spent up to now is 19.9 secs Computing kpt #: 214 total cpu time spent up to now is 20.0 secs Computing kpt #: 215 total cpu time spent up to now is 20.1 secs Computing kpt #: 216 total cpu time spent up to now is 20.1 secs Computing kpt #: 217 total cpu time spent up to now is 20.2 secs Computing kpt #: 218 total cpu time spent up to now is 20.3 secs Computing kpt #: 219 total cpu time spent up to now is 20.4 secs Computing kpt #: 220 total cpu time spent up to now is 20.4 secs Computing kpt #: 221 total cpu time spent up to now is 20.5 secs Computing kpt #: 222 total cpu time spent up to now is 20.6 secs Computing kpt #: 223 total cpu time spent up to now is 20.7 secs Computing kpt #: 224 total cpu time spent up to now is 20.7 secs Computing kpt #: 225 total cpu time spent up to now is 20.8 secs Computing kpt #: 226 total cpu time spent up to now is 20.9 secs Computing kpt #: 227 total cpu time spent up to now is 20.9 secs Computing kpt #: 228 total cpu time spent up to now is 21.0 secs Computing kpt #: 229 total cpu time spent up to now is 21.1 secs Computing kpt #: 230 total cpu time spent up to now is 21.1 secs Computing kpt #: 231 total cpu time spent up to now is 21.2 secs Computing kpt #: 232 total cpu time spent up to now is 21.3 secs Computing kpt #: 233 total cpu time spent up to now is 21.4 secs Computing kpt #: 234 total cpu time spent up to now is 21.4 secs Computing kpt #: 235 total cpu time spent up to now is 21.5 secs Computing kpt #: 236 total cpu time spent up to now is 21.6 secs Computing kpt #: 237 total cpu time spent up to now is 21.6 secs Computing kpt #: 238 total cpu time spent up to now is 21.7 secs Computing kpt #: 239 total cpu time spent up to now is 21.8 secs Computing kpt #: 240 total cpu time spent up to now is 21.8 secs Computing kpt #: 241 total cpu time spent up to now is 21.9 secs Computing kpt #: 242 total cpu time spent up to now is 22.0 secs Computing kpt #: 243 total cpu time spent up to now is 22.0 secs Computing kpt #: 244 total cpu time spent up to now is 22.1 secs Computing kpt #: 245 total cpu time spent up to now is 22.2 secs Computing kpt #: 246 total cpu time spent up to now is 22.3 secs Computing kpt #: 247 total cpu time spent up to now is 22.3 secs Computing kpt #: 248 total cpu time spent up to now is 22.4 secs Computing kpt #: 249 total cpu time spent up to now is 22.5 secs Computing kpt #: 250 total cpu time spent up to now is 22.5 secs Computing kpt #: 251 total cpu time spent up to now is 22.6 secs Computing kpt #: 252 total cpu time spent up to now is 22.7 secs Computing kpt #: 253 total cpu time spent up to now is 22.8 secs Computing kpt #: 254 total cpu time spent up to now is 22.8 secs Computing kpt #: 255 total cpu time spent up to now is 22.9 secs Computing kpt #: 256 total cpu time spent up to now is 23.0 secs Computing kpt #: 257 total cpu time spent up to now is 23.1 secs Computing kpt #: 258 total cpu time spent up to now is 23.2 secs Computing kpt #: 259 total cpu time spent up to now is 23.3 secs Computing kpt #: 260 total cpu time spent up to now is 23.3 secs Computing kpt #: 261 total cpu time spent up to now is 23.5 secs Computing kpt #: 262 total cpu time spent up to now is 23.6 secs Computing kpt #: 263 total cpu time spent up to now is 23.7 secs Computing kpt #: 264 total cpu time spent up to now is 23.8 secs Computing kpt #: 265 total cpu time spent up to now is 23.9 secs Computing kpt #: 266 total cpu time spent up to now is 24.0 secs Computing kpt #: 267 total cpu time spent up to now is 24.1 secs Computing kpt #: 268 total cpu time spent up to now is 24.2 secs Computing kpt #: 269 total cpu time spent up to now is 24.3 secs Computing kpt #: 270 total cpu time spent up to now is 24.4 secs Computing kpt #: 271 total cpu time spent up to now is 24.5 secs Computing kpt #: 272 total cpu time spent up to now is 24.6 secs Computing kpt #: 273 total cpu time spent up to now is 24.7 secs Computing kpt #: 274 total cpu time spent up to now is 24.8 secs Computing kpt #: 275 total cpu time spent up to now is 24.9 secs Computing kpt #: 276 total cpu time spent up to now is 25.0 secs Computing kpt #: 277 total cpu time spent up to now is 25.1 secs Computing kpt #: 278 total cpu time spent up to now is 25.2 secs Computing kpt #: 279 total cpu time spent up to now is 25.3 secs Computing kpt #: 280 total cpu time spent up to now is 25.4 secs Computing kpt #: 281 total cpu time spent up to now is 25.4 secs Computing kpt #: 282 total cpu time spent up to now is 25.5 secs Computing kpt #: 283 total cpu time spent up to now is 25.6 secs Computing kpt #: 284 total cpu time spent up to now is 25.7 secs Computing kpt #: 285 total cpu time spent up to now is 25.8 secs Computing kpt #: 286 total cpu time spent up to now is 25.9 secs Computing kpt #: 287 total cpu time spent up to now is 26.0 secs Computing kpt #: 288 total cpu time spent up to now is 26.1 secs Computing kpt #: 289 total cpu time spent up to now is 26.2 secs Computing kpt #: 290 total cpu time spent up to now is 26.3 secs Computing kpt #: 291 total cpu time spent up to now is 26.3 secs Computing kpt #: 292 total cpu time spent up to now is 26.4 secs Computing kpt #: 293 total cpu time spent up to now is 26.5 secs Computing kpt #: 294 total cpu time spent up to now is 26.6 secs Computing kpt #: 295 total cpu time spent up to now is 26.7 secs Computing kpt #: 296 total cpu time spent up to now is 26.8 secs Computing kpt #: 297 total cpu time spent up to now is 26.9 secs Computing kpt #: 298 total cpu time spent up to now is 27.0 secs Computing kpt #: 299 total cpu time spent up to now is 27.1 secs Computing kpt #: 300 total cpu time spent up to now is 27.2 secs Computing kpt #: 301 total cpu time spent up to now is 27.3 secs Computing kpt #: 302 total cpu time spent up to now is 27.4 secs Computing kpt #: 303 total cpu time spent up to now is 27.5 secs Computing kpt #: 304 total cpu time spent up to now is 27.6 secs Computing kpt #: 305 total cpu time spent up to now is 27.7 secs Computing kpt #: 306 total cpu time spent up to now is 27.8 secs Computing kpt #: 307 total cpu time spent up to now is 27.9 secs Computing kpt #: 308 total cpu time spent up to now is 28.0 secs Computing kpt #: 309 total cpu time spent up to now is 28.1 secs Computing kpt #: 310 total cpu time spent up to now is 28.2 secs Computing kpt #: 311 total cpu time spent up to now is 28.3 secs Computing kpt #: 312 total cpu time spent up to now is 28.4 secs Computing kpt #: 313 total cpu time spent up to now is 28.5 secs Computing kpt #: 314 total cpu time spent up to now is 28.6 secs Computing kpt #: 315 total cpu time spent up to now is 28.7 secs Computing kpt #: 316 total cpu time spent up to now is 28.8 secs Computing kpt #: 317 total cpu time spent up to now is 28.9 secs Computing kpt #: 318 total cpu time spent up to now is 29.0 secs Computing kpt #: 319 total cpu time spent up to now is 29.1 secs Computing kpt #: 320 total cpu time spent up to now is 29.2 secs Computing kpt #: 321 total cpu time spent up to now is 29.3 secs Computing kpt #: 322 total cpu time spent up to now is 29.4 secs Computing kpt #: 323 total cpu time spent up to now is 29.4 secs Computing kpt #: 324 total cpu time spent up to now is 29.5 secs Computing kpt #: 325 total cpu time spent up to now is 29.6 secs Computing kpt #: 326 total cpu time spent up to now is 29.7 secs Computing kpt #: 327 total cpu time spent up to now is 29.8 secs Computing kpt #: 328 total cpu time spent up to now is 29.9 secs Computing kpt #: 329 total cpu time spent up to now is 30.0 secs Computing kpt #: 330 total cpu time spent up to now is 30.1 secs Computing kpt #: 331 total cpu time spent up to now is 30.2 secs Computing kpt #: 332 total cpu time spent up to now is 30.3 secs Computing kpt #: 333 total cpu time spent up to now is 30.4 secs Computing kpt #: 334 total cpu time spent up to now is 30.5 secs Computing kpt #: 335 total cpu time spent up to now is 30.6 secs Computing kpt #: 336 total cpu time spent up to now is 30.7 secs Computing kpt #: 337 total cpu time spent up to now is 30.8 secs Computing kpt #: 338 total cpu time spent up to now is 30.9 secs Computing kpt #: 339 total cpu time spent up to now is 30.9 secs Computing kpt #: 340 total cpu time spent up to now is 31.0 secs Computing kpt #: 341 total cpu time spent up to now is 31.1 secs Computing kpt #: 342 total cpu time spent up to now is 31.2 secs Computing kpt #: 343 total cpu time spent up to now is 31.3 secs Computing kpt #: 344 total cpu time spent up to now is 31.4 secs Computing kpt #: 345 total cpu time spent up to now is 31.5 secs Computing kpt #: 346 total cpu time spent up to now is 31.6 secs Computing kpt #: 347 total cpu time spent up to now is 31.7 secs Computing kpt #: 348 total cpu time spent up to now is 31.8 secs Computing kpt #: 349 total cpu time spent up to now is 31.9 secs Computing kpt #: 350 total cpu time spent up to now is 32.0 secs Computing kpt #: 351 total cpu time spent up to now is 32.0 secs Computing kpt #: 352 total cpu time spent up to now is 32.1 secs Computing kpt #: 353 total cpu time spent up to now is 32.2 secs Computing kpt #: 354 total cpu time spent up to now is 32.3 secs Computing kpt #: 355 total cpu time spent up to now is 32.4 secs Computing kpt #: 356 total cpu time spent up to now is 32.5 secs Computing kpt #: 357 total cpu time spent up to now is 32.7 secs Computing kpt #: 358 total cpu time spent up to now is 32.8 secs Computing kpt #: 359 total cpu time spent up to now is 32.9 secs Computing kpt #: 360 total cpu time spent up to now is 33.0 secs Computing kpt #: 361 total cpu time spent up to now is 33.1 secs Computing kpt #: 362 total cpu time spent up to now is 33.1 secs Computing kpt #: 363 total cpu time spent up to now is 33.2 secs Computing kpt #: 364 total cpu time spent up to now is 33.3 secs Computing kpt #: 365 total cpu time spent up to now is 33.4 secs Computing kpt #: 366 total cpu time spent up to now is 33.5 secs Computing kpt #: 367 total cpu time spent up to now is 33.6 secs Computing kpt #: 368 total cpu time spent up to now is 33.6 secs Computing kpt #: 369 total cpu time spent up to now is 33.7 secs Computing kpt #: 370 total cpu time spent up to now is 33.8 secs Computing kpt #: 371 total cpu time spent up to now is 33.9 secs Computing kpt #: 372 total cpu time spent up to now is 33.9 secs Computing kpt #: 373 total cpu time spent up to now is 34.0 secs Computing kpt #: 374 total cpu time spent up to now is 34.1 secs Computing kpt #: 375 total cpu time spent up to now is 34.2 secs Computing kpt #: 376 total cpu time spent up to now is 34.2 secs Computing kpt #: 377 total cpu time spent up to now is 34.3 secs Computing kpt #: 378 total cpu time spent up to now is 34.4 secs Computing kpt #: 379 total cpu time spent up to now is 34.4 secs Computing kpt #: 380 total cpu time spent up to now is 34.5 secs Computing kpt #: 381 total cpu time spent up to now is 34.6 secs Computing kpt #: 382 total cpu time spent up to now is 34.6 secs Computing kpt #: 383 total cpu time spent up to now is 34.7 secs Computing kpt #: 384 total cpu time spent up to now is 34.8 secs Computing kpt #: 385 total cpu time spent up to now is 34.8 secs Computing kpt #: 386 total cpu time spent up to now is 34.9 secs Computing kpt #: 387 total cpu time spent up to now is 35.0 secs Computing kpt #: 388 total cpu time spent up to now is 35.0 secs Computing kpt #: 389 total cpu time spent up to now is 35.1 secs Computing kpt #: 390 total cpu time spent up to now is 35.2 secs Computing kpt #: 391 total cpu time spent up to now is 35.2 secs Computing kpt #: 392 total cpu time spent up to now is 35.3 secs Computing kpt #: 393 total cpu time spent up to now is 35.4 secs Computing kpt #: 394 total cpu time spent up to now is 35.4 secs Computing kpt #: 395 total cpu time spent up to now is 35.5 secs Computing kpt #: 396 total cpu time spent up to now is 35.6 secs Computing kpt #: 397 total cpu time spent up to now is 35.6 secs Computing kpt #: 398 total cpu time spent up to now is 35.7 secs Computing kpt #: 399 total cpu time spent up to now is 35.8 secs Computing kpt #: 400 total cpu time spent up to now is 35.8 secs Computing kpt #: 401 total cpu time spent up to now is 35.9 secs Computing kpt #: 402 total cpu time spent up to now is 36.0 secs Computing kpt #: 403 total cpu time spent up to now is 36.1 secs Computing kpt #: 404 total cpu time spent up to now is 36.1 secs Computing kpt #: 405 total cpu time spent up to now is 36.2 secs Computing kpt #: 406 total cpu time spent up to now is 36.3 secs Computing kpt #: 407 total cpu time spent up to now is 36.4 secs Computing kpt #: 408 total cpu time spent up to now is 36.5 secs Computing kpt #: 409 total cpu time spent up to now is 36.5 secs Computing kpt #: 410 total cpu time spent up to now is 36.6 secs Computing kpt #: 411 total cpu time spent up to now is 36.7 secs Computing kpt #: 412 total cpu time spent up to now is 36.8 secs Computing kpt #: 413 total cpu time spent up to now is 36.9 secs Computing kpt #: 414 total cpu time spent up to now is 37.0 secs Computing kpt #: 415 total cpu time spent up to now is 37.1 secs Computing kpt #: 416 total cpu time spent up to now is 37.3 secs Computing kpt #: 417 total cpu time spent up to now is 37.4 secs Computing kpt #: 418 total cpu time spent up to now is 37.5 secs Computing kpt #: 419 total cpu time spent up to now is 37.6 secs Computing kpt #: 420 total cpu time spent up to now is 37.7 secs Computing kpt #: 421 total cpu time spent up to now is 37.8 secs Computing kpt #: 422 total cpu time spent up to now is 37.9 secs ethr = 5.00E-08, avg # of iterations = 12.9 total cpu time spent up to now is 37.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 897 PWs) bands (ev): -8.9658 -8.9658 -5.9427 -5.9427 -2.9211 -2.9211 0.7089 0.7089 1.8784 1.8784 2.4851 2.4851 2.8851 2.8851 4.2864 4.2864 5.2312 5.2312 6.5778 6.5778 7.6727 7.6727 8.4952 8.4952 8.7996 8.7996 10.3897 10.3897 k = 0.0057 0.0171-0.0000 ( 901 PWs) bands (ev): -8.9645 -8.9645 -5.9413 -5.9413 -2.9232 -2.9232 0.7101 0.7101 1.8718 1.8718 2.4799 2.4799 2.8857 2.8857 4.2847 4.2847 5.2314 5.2314 6.5789 6.5789 7.6821 7.6821 8.5048 8.5048 8.8015 8.8015 10.3805 10.3805 k = 0.0113 0.0342-0.0000 ( 893 PWs) bands (ev): -8.9605 -8.9605 -5.9371 -5.9371 -2.9292 -2.9292 0.7137 0.7137 1.8521 1.8521 2.4651 2.4651 2.8880 2.8880 4.2802 4.2802 5.2319 5.2319 6.5822 6.5822 7.7107 7.7107 8.5338 8.5338 8.8087 8.8087 10.3545 10.3545 k = 0.0170 0.0513-0.0000 ( 893 PWs) bands (ev): -8.9538 -8.9538 -5.9300 -5.9300 -2.9394 -2.9394 0.7195 0.7195 1.8195 1.8195 2.4405 2.4405 2.8920 2.8920 4.2726 4.2726 5.2327 5.2327 6.5869 6.5869 7.7581 7.7581 8.5789 8.5789 8.8214 8.8214 10.3117 10.3117 k = 0.0226 0.0684-0.0000 ( 893 PWs) bands (ev): -8.9445 -8.9445 -5.9201 -5.9201 -2.9536 -2.9536 0.7276 0.7276 1.7741 1.7741 2.4070 2.4070 2.8979 2.8979 4.2631 4.2631 5.2338 5.2338 6.5921 6.5921 7.8244 7.8244 8.6366 8.6366 8.8428 8.8428 10.2539 10.2539 k = 0.0283 0.0855-0.0000 ( 893 PWs) bands (ev): -8.9325 -8.9325 -5.9074 -5.9074 -2.9720 -2.9720 0.7381 0.7381 1.7164 1.7164 2.3657 2.3657 2.9059 2.9059 4.2523 4.2523 5.2351 5.2351 6.5971 6.5971 7.9092 7.9092 8.6990 8.6990 8.8792 8.8792 10.1831 10.1831 k = 0.0340 0.1026-0.0000 ( 893 PWs) bands (ev): -8.9179 -8.9179 -5.8918 -5.8918 -2.9947 -2.9947 0.7509 0.7509 1.6469 1.6469 2.3178 2.3178 2.9162 2.9162 4.2413 4.2413 5.2367 5.2367 6.6008 6.6008 8.0121 8.0121 8.7536 8.7536 8.9407 8.9407 10.1013 10.1013 k = 0.0396 0.1197-0.0000 ( 893 PWs) bands (ev): -8.9007 -8.9007 -5.8734 -5.8734 -3.0217 -3.0217 0.7659 0.7659 1.5661 1.5661 2.2647 2.2647 2.9288 2.9288 4.2308 4.2308 5.2384 5.2384 6.6028 6.6028 8.1319 8.1319 8.7948 8.7948 9.0308 9.0308 10.0107 10.0107 k = 0.0453 0.1368-0.0000 ( 893 PWs) bands (ev): -8.8807 -8.8807 -5.8522 -5.8522 -3.0531 -3.0531 0.7832 0.7832 1.4748 1.4748 2.2078 2.2078 2.9436 2.9436 4.2215 4.2215 5.2401 5.2401 6.6026 6.6026 8.2677 8.2677 8.8272 8.8272 9.1418 9.1418 9.9136 9.9136 k = 0.0510 0.1538-0.0000 ( 891 PWs) bands (ev): -8.8582 -8.8582 -5.8282 -5.8282 -3.0890 -3.0890 0.8028 0.8028 1.3738 1.3738 2.1487 2.1487 2.9607 2.9607 4.2140 4.2140 5.2416 5.2416 6.6000 6.6000 8.4181 8.4181 8.8564 8.8564 9.2647 9.2647 9.8129 9.8129 k = 0.0566 0.1709-0.0000 ( 891 PWs) bands (ev): -8.8330 -8.8330 -5.8014 -5.8014 -3.1295 -3.1295 0.8245 0.8245 1.2640 1.2640 2.0885 2.0885 2.9800 2.9800 4.2088 4.2088 5.2429 5.2429 6.5947 6.5947 8.5817 8.5817 8.8852 8.8852 9.3904 9.3904 9.7130 9.7130 k = 0.0623 0.1880-0.0000 ( 891 PWs) bands (ev): -8.8052 -8.8052 -5.7717 -5.7717 -3.1746 -3.1746 0.8482 0.8482 1.1463 1.1463 2.0286 2.0286 3.0014 3.0014 4.2060 4.2060 5.2435 5.2435 6.5867 6.5867 8.7566 8.7566 8.9149 8.9149 9.4913 9.4913 9.6380 9.6380 k = 0.0679 0.2051-0.0000 ( 893 PWs) bands (ev): -8.7747 -8.7747 -5.7392 -5.7392 -3.2245 -3.2245 0.8736 0.8736 1.0220 1.0220 1.9697 1.9697 3.0249 3.0249 4.2058 4.2058 5.2433 5.2433 6.5760 6.5760 8.9298 8.9298 8.9565 8.9565 9.4595 9.4595 9.6918 9.6918 k = 0.0736 0.2222-0.0000 ( 889 PWs) bands (ev): -8.7415 -8.7415 -5.7039 -5.7039 -3.2791 -3.2791 0.8799 0.8799 0.9129 0.9129 1.9134 1.9134 3.0504 3.0504 4.2083 4.2083 5.2419 5.2419 6.5626 6.5626 8.9725 8.9725 9.1383 9.1383 9.3668 9.3668 9.7991 9.7991 k = 0.0793 0.2393-0.0000 ( 885 PWs) bands (ev): -8.7058 -8.7058 -5.6658 -5.6658 -3.3383 -3.3383 0.7517 0.7517 0.9350 0.9350 1.8602 1.8602 3.0779 3.0779 4.2134 4.2134 5.2391 5.2391 6.5465 6.5465 9.0004 9.0004 9.2733 9.2733 9.3399 9.3399 9.8951 9.8951 k = 0.0849 0.2564-0.0000 ( 885 PWs) bands (ev): -8.6675 -8.6675 -5.6249 -5.6249 -3.4021 -3.4021 0.6113 0.6113 0.9668 0.9668 1.8108 1.8108 3.1072 3.1072 4.2210 4.2210 5.2344 5.2344 6.5275 6.5275 9.0146 9.0146 9.1962 9.1962 9.5470 9.5470 9.9636 9.9636 k = 0.0906 0.2735-0.0000 ( 881 PWs) bands (ev): -8.6266 -8.6266 -5.5812 -5.5812 -3.4706 -3.4706 0.4669 0.4669 1.0010 1.0010 1.7658 1.7658 3.1384 3.1384 4.2309 4.2309 5.2277 5.2277 6.5058 6.5058 8.9884 8.9884 9.1654 9.1654 9.7574 9.7574 9.9965 9.9965 k = 0.0962 0.2906-0.0000 ( 885 PWs) bands (ev): -8.5831 -8.5831 -5.5348 -5.5348 -3.5435 -3.5435 0.3192 0.3192 1.0371 1.0371 1.7255 1.7255 3.1712 3.1712 4.2428 4.2428 5.2181 5.2181 6.4812 6.4812 8.9213 8.9213 9.1822 9.1822 9.9615 9.9615 9.9969 9.9969 k = 0.1019 0.3077-0.0000 ( 893 PWs) bands (ev): -8.5371 -8.5371 -5.4855 -5.4855 -3.6210 -3.6210 0.1686 0.1686 1.0750 1.0750 1.6903 1.6903 3.2056 3.2056 4.2562 4.2562 5.2052 5.2052 6.4538 6.4538 8.8434 8.8434 9.2179 9.2179 9.9444 9.9444 10.1787 10.1787 k = 0.1076 0.3248-0.0000 ( 897 PWs) bands (ev): -8.4885 -8.4885 -5.4334 -5.4334 -3.7025 -3.7025 0.0160 0.0160 1.1147 1.1147 1.6605 1.6605 3.2416 3.2416 4.2711 4.2711 5.1894 5.1894 6.4235 6.4235 8.7669 8.7669 9.2607 9.2607 9.8735 9.8735 10.3774 10.3774 k = 0.1132 0.3419-0.0000 ( 897 PWs) bands (ev): -8.4373 -8.4373 -5.3786 -5.3786 -3.7878 -3.7878 -0.1379 -0.1379 1.1560 1.1560 1.6364 1.6364 3.2791 3.2791 4.2874 4.2874 5.1700 5.1700 6.3904 6.3904 8.6961 8.6961 9.3078 9.3078 9.7828 9.7828 10.5482 10.5482 k = 0.1189 0.3590-0.0000 ( 897 PWs) bands (ev): -8.3836 -8.3836 -5.3210 -5.3210 -3.8772 -3.8772 -0.2927 -0.2927 1.1989 1.1989 1.6177 1.6177 3.3180 3.3180 4.3048 4.3048 5.1467 5.1467 6.3544 6.3544 8.6326 8.6326 9.3564 9.3564 9.6800 9.6800 10.5660 10.5660 k = 0.1246 0.3761-0.0000 ( 897 PWs) bands (ev): -8.3273 -8.3273 -5.2606 -5.2606 -3.9697 -3.9697 -0.4482 -0.4482 1.2431 1.2431 1.6048 1.6048 3.3580 3.3580 4.3229 4.3229 5.1194 5.1194 6.3155 6.3155 8.5772 8.5772 9.4012 9.4012 9.5767 9.5767 10.4457 10.4457 k = 0.1302 0.3932-0.0000 ( 895 PWs) bands (ev): -8.2686 -8.2686 -5.1974 -5.1974 -4.0655 -4.0655 -0.6039 -0.6039 1.2885 1.2885 1.5976 1.5976 3.3991 3.3991 4.3413 4.3413 5.0881 5.0881 6.2739 6.2739 8.5308 8.5308 9.4008 9.4008 9.5171 9.5171 10.3135 10.3135 k = 0.1359 0.4103-0.0000 ( 899 PWs) bands (ev): -8.2074 -8.2074 -5.1315 -5.1315 -4.1642 -4.1642 -0.7596 -0.7596 1.3349 1.3349 1.5958 1.5958 3.4411 3.4411 4.3597 4.3597 5.0527 5.0527 6.2295 6.2295 8.4935 8.4935 9.3088 9.3088 9.5496 9.5496 10.1823 10.1823 k = 0.1415 0.4274-0.0000 ( 899 PWs) bands (ev): -8.1436 -8.1436 -5.0629 -5.0629 -4.2654 -4.2654 -0.9150 -0.9150 1.3819 1.3819 1.5997 1.5997 3.4839 3.4839 4.3776 4.3776 5.0134 5.0134 6.1825 6.1825 8.4657 8.4657 9.1973 9.1973 9.6030 9.6030 10.0558 10.0558 k = 0.1472 0.4445-0.0000 ( 903 PWs) bands (ev): -8.0775 -8.0775 -4.9916 -4.9916 -4.3692 -4.3692 -1.0698 -1.0698 1.4294 1.4294 1.6089 1.6089 3.5273 3.5273 4.3948 4.3948 4.9706 4.9706 6.1331 6.1331 8.4475 8.4475 9.0846 9.0846 9.6562 9.6562 9.9384 9.9384 k = 0.1529 0.4615-0.0000 ( 903 PWs) bands (ev): -8.0089 -8.0089 -4.9175 -4.9175 -4.4747 -4.4747 -1.2238 -1.2238 1.4769 1.4769 1.6237 1.6237 3.5711 3.5711 4.4108 4.4108 4.9246 4.9246 6.0813 6.0813 8.4387 8.4387 8.9745 8.9745 9.6855 9.6855 9.8524 9.8524 k = 0.1585 0.4786-0.0000 ( 903 PWs) bands (ev): -7.9378 -7.9378 -4.8409 -4.8409 -4.5818 -4.5818 -1.3768 -1.3768 1.5239 1.5239 1.6440 1.6440 3.6151 3.6151 4.4251 4.4251 4.8760 4.8760 6.0275 6.0275 8.4393 8.4393 8.8685 8.8685 9.6334 9.6334 9.8548 9.8548 k = 0.1642 0.4957-0.0000 ( 899 PWs) bands (ev): -7.8644 -7.8644 -4.7625 -4.7625 -4.6894 -4.6894 -1.5287 -1.5287 1.5699 1.5699 1.6697 1.6697 3.6592 3.6592 4.4373 4.4373 4.8255 4.8255 5.9718 5.9718 8.4490 8.4490 8.7678 8.7678 9.5350 9.5350 9.9109 9.9109 k = 0.1699 0.5128-0.0000 ( 899 PWs) bands (ev): -7.7887 -7.7887 -4.8020 -4.8020 -4.6776 -4.6776 -1.6795 -1.6795 1.6144 1.6144 1.7008 1.7008 3.7031 3.7031 4.4467 4.4467 4.7736 4.7736 5.9145 5.9145 8.4675 8.4675 8.6728 8.6728 9.4305 9.4305 9.9802 9.9802 k = 0.1755 0.5299-0.0000 ( 899 PWs) bands (ev): -7.7106 -7.7106 -4.9123 -4.9123 -4.5933 -4.5933 -1.8287 -1.8287 1.6574 1.6574 1.7363 1.7363 3.7463 3.7463 4.4534 4.4534 4.7214 4.7214 5.8558 5.8558 8.4933 8.4933 8.5858 8.5858 9.3283 9.3283 10.0547 10.0547 k = 0.1812 0.5470-0.0000 ( 895 PWs) bands (ev): -7.6302 -7.6302 -5.0237 -5.0237 -4.5057 -4.5057 -1.9763 -1.9763 1.6994 1.6994 1.7754 1.7754 3.7889 3.7889 4.4565 4.4565 4.6698 4.6698 5.7962 5.7962 8.4977 8.4977 8.5357 8.5357 9.2304 9.2304 10.1329 10.1329 k = 0.1868 0.5641-0.0000 ( 897 PWs) bands (ev): -7.5475 -7.5475 -5.1356 -5.1356 -4.4156 -4.4156 -2.1222 -2.1222 1.7411 1.7411 1.8162 1.8162 3.8303 3.8303 4.4557 4.4557 4.6197 4.6197 5.7359 5.7359 8.4287 8.4287 8.5738 8.5738 9.1376 9.1376 10.2137 10.2137 k = 0.1925 0.5812-0.0000 ( 893 PWs) bands (ev): -7.4626 -7.4626 -5.2477 -5.2477 -4.3227 -4.3227 -2.2663 -2.2663 1.7831 1.7831 1.8576 1.8576 3.8703 3.8703 4.4504 4.4504 4.5723 4.5723 5.6752 5.6752 8.3648 8.3648 8.6231 8.6231 9.0508 9.0508 10.2969 10.2969 k = 0.1982 0.5983-0.0000 ( 893 PWs) bands (ev): -7.3755 -7.3755 -5.3598 -5.3598 -4.2273 -4.2273 -2.4086 -2.4086 1.8256 1.8256 1.8983 1.8983 3.9086 3.9086 4.4401 4.4401 4.5287 4.5287 5.6146 5.6146 8.3091 8.3091 8.6794 8.6794 8.9704 8.9704 10.3025 10.3025 k = 0.2038 0.6154-0.0000 ( 891 PWs) bands (ev): -7.2862 -7.2862 -5.4719 -5.4719 -4.1292 -4.1292 -2.5489 -2.5489 1.8681 1.8681 1.9377 1.9377 3.9449 3.9449 4.4244 4.4244 4.4901 4.4901 5.5545 5.5545 8.2621 8.2621 8.7428 8.7428 8.8970 8.8970 10.2139 10.2139 k = 0.2095 0.6325-0.0000 ( 897 PWs) bands (ev): -7.1949 -7.1949 -5.5835 -5.5835 -4.0287 -4.0287 -2.6872 -2.6872 1.9096 1.9096 1.9759 1.9759 3.9788 3.9788 4.4032 4.4032 4.4576 4.4576 5.4952 5.4952 8.2240 8.2240 8.8096 8.8096 8.8325 8.8325 10.1248 10.1248 k = 0.2151 0.6496-0.0000 ( 897 PWs) bands (ev): -7.1015 -7.1015 -5.6945 -5.6945 -3.9256 -3.9256 -2.8234 -2.8234 1.9482 1.9482 2.0137 2.0137 4.0099 4.0099 4.3774 4.3774 4.4310 4.4310 5.4374 5.4374 8.1954 8.1954 8.7711 8.7711 8.8872 8.8872 10.0356 10.0356 k = 0.2208 0.6667-0.0000 ( 897 PWs) bands (ev): -7.0061 -7.0061 -5.8048 -5.8048 -3.8199 -3.8199 -2.9574 -2.9574 1.9811 1.9811 2.0529 2.0529 4.0381 4.0381 4.3482 4.3482 4.4101 4.4101 5.3816 5.3816 8.1755 8.1755 8.7203 8.7203 8.9671 8.9671 9.9475 9.9475 k = 0.2265 0.6838-0.0000 ( 897 PWs) bands (ev): -6.9087 -6.9087 -5.9143 -5.9143 -3.7118 -3.7118 -3.0892 -3.0892 2.0064 2.0064 2.0945 2.0945 4.0630 4.0630 4.3152 4.3152 4.3962 4.3962 5.3283 5.3283 8.1644 8.1644 8.6776 8.6776 9.0523 9.0523 9.8599 9.8599 k = 0.2321 0.7009-0.0000 ( 895 PWs) bands (ev): -6.8093 -6.8093 -6.0227 -6.0227 -3.6011 -3.6011 -3.2188 -3.2188 2.0234 2.0234 2.1381 2.1381 4.0844 4.0844 4.2776 4.2776 4.3909 4.3909 5.2781 5.2781 8.1616 8.1616 8.6436 8.6436 9.1425 9.1425 9.7730 9.7730 k = 0.2378 0.7180-0.0000 ( 897 PWs) bands (ev): -6.7082 -6.7082 -6.1301 -6.1301 -3.4882 -3.4882 -3.3460 -3.3460 2.0325 2.0325 2.1826 2.1826 4.1023 4.1023 4.2352 4.2352 4.3947 4.3947 5.2315 5.2315 8.1667 8.1667 8.6180 8.6180 9.2370 9.2370 9.6871 9.6871 k = 0.2435 0.7351-0.0000 ( 897 PWs) bands (ev): -6.6054 -6.6054 -6.2361 -6.2361 -3.4710 -3.4710 -3.3724 -3.3724 2.0345 2.0345 2.2267 2.2267 4.1168 4.1168 4.1883 4.1883 4.4082 4.4082 5.1893 5.1893 8.1795 8.1795 8.6017 8.6017 9.3355 9.3355 9.6032 9.6032 k = 0.2491 0.7522-0.0000 ( 893 PWs) bands (ev): -6.5009 -6.5009 -6.3408 -6.3408 -3.5934 -3.5934 -3.2547 -3.2547 2.0301 2.0301 2.2694 2.2694 4.1270 4.1270 4.1380 4.1380 4.4308 4.4308 5.1520 5.1520 8.1985 8.1985 8.5942 8.5942 9.4346 9.4346 9.5245 9.5245 k = 0.2548 0.7692-0.0000 ( 905 PWs) bands (ev): -6.4442 -6.4442 -6.3947 -6.3947 -3.7135 -3.7135 -3.1344 -3.1344 2.0192 2.0192 2.3095 2.3095 4.0825 4.0825 4.1346 4.1346 4.4628 4.4628 5.1199 5.1199 8.2226 8.2226 8.5954 8.5954 9.4274 9.4274 9.5548 9.5548 k = 0.2604 0.7863-0.0000 ( 905 PWs) bands (ev): -6.5459 -6.5459 -6.2870 -6.2870 -3.8311 -3.8311 -3.0121 -3.0121 2.0032 2.0032 2.3470 2.3470 4.0249 4.0249 4.1378 4.1378 4.5032 4.5032 5.0943 5.0943 8.2520 8.2520 8.6059 8.6059 9.3496 9.3496 9.6625 9.6625 k = 0.2661 0.8034-0.0000 ( 901 PWs) bands (ev): -6.6460 -6.6460 -6.1780 -6.1780 -3.9462 -3.9462 -2.8874 -2.8874 1.9824 1.9824 2.3810 2.3810 3.9647 3.9647 4.1374 4.1374 4.5518 4.5518 5.0756 5.0756 8.2854 8.2854 8.6256 8.6256 9.2711 9.2711 9.7761 9.7761 k = 0.2718 0.8205-0.0000 ( 901 PWs) bands (ev): -6.7444 -6.7444 -6.0677 -6.0677 -4.0588 -4.0588 -2.7608 -2.7608 1.9575 1.9575 2.4106 2.4106 3.9022 3.9022 4.1333 4.1333 4.6080 4.6080 5.0641 5.0641 8.3213 8.3213 8.6537 8.6537 9.1943 9.1943 9.8931 9.8931 k = 0.2774 0.8376-0.0000 ( 897 PWs) bands (ev): -6.8410 -6.8410 -5.9562 -5.9562 -4.1689 -4.1689 -2.6320 -2.6320 1.9295 1.9295 2.4357 2.4357 3.8380 3.8380 4.1257 4.1257 4.6714 4.6714 5.0605 5.0605 8.3586 8.3586 8.6906 8.6906 9.1197 9.1197 10.0129 10.0129 k = 0.2774 0.8376-0.0000 ( 897 PWs) bands (ev): -6.8410 -6.8410 -5.9562 -5.9562 -4.1689 -4.1689 -2.6320 -2.6320 1.9295 1.9295 2.4357 2.4357 3.8380 3.8380 4.1257 4.1257 4.6714 4.6714 5.0605 5.0605 8.3586 8.3586 8.6906 8.6906 9.1197 9.1197 10.0129 10.0129 k = 0.2601 0.8376-0.0000 ( 903 PWs) bands (ev): -6.8123 -6.8123 -5.9898 -5.9898 -4.1349 -4.1349 -2.6722 -2.6722 1.9387 1.9387 2.4274 2.4274 3.8581 3.8581 4.1290 4.1290 4.6523 4.6523 5.0588 5.0588 8.3461 8.3461 8.6789 8.6789 9.1441 9.1441 9.9732 9.9732 k = 0.2427 0.8376-0.0000 ( 901 PWs) bands (ev): -6.7841 -6.7841 -6.0228 -6.0228 -4.0989 -4.0989 -2.7139 -2.7139 1.9486 1.9486 2.4172 2.4172 3.8791 3.8791 4.1336 4.1336 4.6357 4.6357 5.0542 5.0542 8.3330 8.3330 8.6701 8.6701 9.1718 9.1718 9.9280 9.9280 k = 0.2254 0.8376-0.0000 ( 902 PWs) bands (ev): -6.7565 -6.7565 -6.0551 -6.0551 -4.0609 -4.0609 -2.7573 -2.7573 1.9593 1.9593 2.4050 2.4050 3.9005 3.9005 4.1389 4.1389 4.6216 4.6216 5.0463 5.0463 8.3206 8.3206 8.6635 8.6635 9.2005 9.2005 9.8773 9.8773 k = 0.2081 0.8376-0.0000 ( 902 PWs) bands (ev): -6.7293 -6.7293 -6.0868 -6.0868 -4.0210 -4.0210 -2.8023 -2.8023 1.9707 1.9707 2.3911 2.3911 3.9222 3.9222 4.1448 4.1448 4.6102 4.6102 5.0353 5.0353 8.3107 8.3107 8.6588 8.6588 9.2282 9.2282 9.8223 9.8223 k = 0.1907 0.8376-0.0000 ( 908 PWs) bands (ev): -6.7026 -6.7026 -6.1180 -6.1180 -3.9792 -3.9792 -2.8490 -2.8490 1.9828 1.9828 2.3755 2.3755 3.9439 3.9439 4.1508 4.1508 4.6012 4.6012 5.0210 5.0210 8.3040 8.3040 8.6554 8.6554 9.2530 9.2530 9.7639 9.7639 k = 0.1734 0.8376-0.0000 ( 908 PWs) bands (ev): -6.6763 -6.6763 -6.1484 -6.1484 -3.9355 -3.9355 -2.8969 -2.8969 1.9958 1.9958 2.3589 2.3589 3.9653 3.9653 4.1568 4.1568 4.5957 4.5957 5.0040 5.0040 8.3020 8.3020 8.6537 8.6537 9.2742 9.2742 9.7034 9.7034 k = 0.1561 0.8376-0.0000 ( 906 PWs) bands (ev): -6.6503 -6.6503 -6.1782 -6.1782 -3.8902 -3.8902 -2.9460 -2.9460 2.0096 2.0096 2.3414 2.3414 3.9863 3.9863 4.1622 4.1622 4.5939 4.5939 4.9842 4.9842 8.3051 8.3051 8.6528 8.6528 9.2912 9.2912 9.6422 9.6422 k = 0.1387 0.8376-0.0000 ( 906 PWs) bands (ev): -6.6247 -6.6247 -6.2075 -6.2075 -3.8432 -3.8432 -2.9965 -2.9965 2.0242 2.0242 2.3230 2.3230 4.0068 4.0068 4.1665 4.1665 4.5953 4.5953 4.9617 4.9617 8.3133 8.3133 8.6516 8.6516 9.3027 9.3027 9.5820 9.5820 k = 0.1214 0.8376-0.0000 ( 904 PWs) bands (ev): -6.5993 -6.5993 -6.2361 -6.2361 -3.7947 -3.7947 -3.0480 -3.0480 2.0397 2.0397 2.3040 2.3040 4.0266 4.0266 4.1695 4.1695 4.6005 4.6005 4.9370 4.9370 8.3270 8.3270 8.6492 8.6492 9.3093 9.3093 9.5244 9.5244 k = 0.1040 0.8376-0.0000 ( 907 PWs) bands (ev): -6.5741 -6.5741 -6.2642 -6.2642 -3.7451 -3.7451 -3.1004 -3.1004 2.0557 2.0557 2.2845 2.2845 4.0455 4.0455 4.1707 4.1707 4.6096 4.6096 4.9101 4.9101 8.3455 8.3455 8.6446 8.6446 9.3114 9.3114 9.4706 9.4706 k = 0.0867 0.8376-0.0000 ( 909 PWs) bands (ev): -6.5491 -6.5491 -6.2918 -6.2918 -3.6940 -3.6940 -3.1538 -3.1538 2.0725 2.0725 2.2644 2.2644 4.0635 4.0635 4.1700 4.1700 4.6224 4.6224 4.8819 4.8819 8.3687 8.3687 8.6368 8.6368 9.3100 9.3100 9.4231 9.4231 k = 0.0694 0.8376-0.0000 ( 911 PWs) bands (ev): -6.5241 -6.5241 -6.3190 -6.3190 -3.6420 -3.6420 -3.2077 -3.2077 2.0899 2.0899 2.2444 2.2444 4.0805 4.0805 4.1671 4.1671 4.6389 4.6389 4.8526 4.8526 8.3961 8.3961 8.6244 8.6244 9.3063 9.3063 9.3829 9.3829 k = 0.0520 0.8376-0.0000 ( 910 PWs) bands (ev): -6.4991 -6.4991 -6.3457 -6.3457 -3.5890 -3.5890 -3.2621 -3.2621 2.1080 2.1080 2.2243 2.2243 4.0963 4.0963 4.1623 4.1623 4.6588 4.6588 4.8228 4.8228 8.4267 8.4267 8.6070 8.6070 9.3019 9.3019 9.3509 9.3509 k = 0.0347 0.8376-0.0000 ( 910 PWs) bands (ev): -6.4740 -6.4740 -6.3720 -6.3720 -3.5353 -3.5353 -3.3168 -3.3168 2.1265 2.1265 2.2043 2.2043 4.1110 4.1110 4.1554 4.1554 4.6816 4.6816 4.7927 4.7927 8.4594 8.4594 8.5843 8.5843 9.2985 9.2985 9.3272 9.3272 k = 0.0173 0.8376-0.0000 ( 908 PWs) bands (ev): -6.4489 -6.4489 -6.3979 -6.3979 -3.4811 -3.4811 -3.3717 -3.3717 2.1456 2.1456 2.1846 2.1846 4.1244 4.1244 4.1467 4.1467 4.7070 4.7070 4.7631 4.7631 8.4931 8.4931 8.5570 8.5570 9.2979 9.2979 9.3111 9.3111 k = 0.0000 0.8376-0.0000 ( 908 PWs) bands (ev): -6.4235 -6.4235 -6.4235 -6.4235 -3.4265 -3.4265 -3.4265 -3.4265 2.1649 2.1649 2.1649 2.1649 4.1364 4.1364 4.1364 4.1364 4.7343 4.7343 4.7343 4.7343 8.5261 8.5261 8.5261 8.5261 9.3017 9.3017 9.3017 9.3017 k = 0.0000 0.8376-0.0000 ( 908 PWs) bands (ev): -6.4235 -6.4235 -6.4235 -6.4235 -3.4265 -3.4265 -3.4265 -3.4265 2.1649 2.1649 2.1649 2.1649 4.1364 4.1364 4.1364 4.1364 4.7343 4.7343 4.7343 4.7343 8.5261 8.5261 8.5261 8.5261 9.3017 9.3017 9.3017 9.3017 k = 0.0000 0.8376 0.0180 ( 908 PWs) bands (ev): -6.4232 -6.4232 -6.4225 -6.4225 -3.4273 -3.4273 -3.4263 -3.4263 2.1589 2.1589 2.1654 2.1654 4.1177 4.1177 4.1373 4.1373 4.7314 4.7314 4.7540 4.7540 8.5150 8.5150 8.5260 8.5260 9.3133 9.3133 9.3199 9.3199 k = 0.0000 0.8376 0.0360 ( 908 PWs) bands (ev): -6.4217 -6.4217 -6.4202 -6.4202 -3.4287 -3.4287 -3.4267 -3.4267 2.1474 2.1474 2.1605 2.1605 4.0843 4.0843 4.1205 4.1205 4.7455 4.7455 4.7876 4.7876 8.4950 8.4950 8.5158 8.5158 9.3534 9.3534 9.3654 9.3654 k = 0.0000 0.8376 0.0541 ( 906 PWs) bands (ev): -6.4189 -6.4189 -6.4167 -6.4167 -3.4307 -3.4307 -3.4278 -3.4278 2.1309 2.1309 2.1502 2.1502 4.0399 4.0399 4.0885 4.0885 4.7736 4.7736 4.8309 4.8309 8.4709 8.4709 8.4997 8.4997 9.4181 9.4181 9.4336 9.4336 k = 0.0000 0.8376 0.0721 ( 904 PWs) bands (ev): -6.4148 -6.4148 -6.4119 -6.4119 -3.4332 -3.4332 -3.4294 -3.4294 2.1094 2.1094 2.1347 2.1347 3.9879 3.9879 4.0452 4.0452 4.8115 4.8115 4.8803 4.8803 8.4478 8.4478 8.4829 8.4829 9.5014 9.5014 9.5188 9.5188 k = 0.0000 0.8376 0.0901 ( 906 PWs) bands (ev): -6.4095 -6.4095 -6.4059 -6.4059 -3.4365 -3.4365 -3.4317 -3.4317 2.0834 2.0834 2.1146 2.1146 3.9306 3.9306 3.9940 3.9940 4.8552 4.8552 4.9326 4.9326 8.4293 8.4293 8.4695 8.4695 9.5981 9.5981 9.6163 9.6163 k = 0.0000 0.8376 0.1081 ( 910 PWs) bands (ev): -6.4031 -6.4031 -6.3987 -6.3987 -3.4404 -3.4404 -3.4347 -3.4347 2.0537 2.0537 2.0903 2.0903 3.8696 3.8696 3.9375 3.9375 4.9016 4.9016 4.9857 4.9857 8.4184 8.4184 8.4630 8.4630 9.7043 9.7043 9.7224 9.7224 k = 0.0000 0.8376 0.1261 ( 908 PWs) bands (ev): -6.3954 -6.3954 -6.3904 -6.3904 -3.4450 -3.4450 -3.4384 -3.4384 2.0208 2.0208 2.0625 2.0625 3.8060 3.8060 3.8772 3.8772 4.9486 4.9486 5.0380 5.0380 8.4177 8.4177 8.4661 8.4661 9.8166 9.8166 9.8341 9.8341 k = 0.0000 0.8376 0.1441 ( 906 PWs) bands (ev): -6.3866 -6.3866 -6.3809 -6.3809 -3.4501 -3.4501 -3.4427 -3.4427 1.9852 1.9852 2.0317 2.0317 3.7403 3.7403 3.8142 3.8142 4.9946 4.9946 5.0886 5.0886 8.4283 8.4283 8.4801 8.4801 9.9307 9.9307 9.9473 9.9473 k = 0.0000 0.8376 0.1622 ( 904 PWs) bands (ev): -6.3767 -6.3767 -6.3702 -6.3702 -3.4560 -3.4560 -3.4478 -3.4478 1.9477 1.9477 1.9984 1.9984 3.6729 3.6729 3.7489 3.7489 5.0386 5.0386 5.1364 5.1364 8.4507 8.4507 8.5060 8.5060 10.0422 10.0422 10.0577 10.0577 k = 0.0000 0.8376 0.1802 ( 904 PWs) bands (ev): -6.3658 -6.3658 -6.3586 -6.3586 -3.4626 -3.4626 -3.4535 -3.4535 1.9089 1.9089 1.9636 1.9636 3.6038 3.6038 3.6818 3.6818 5.0800 5.0800 5.1809 5.1809 8.4852 8.4852 8.5439 8.5439 10.1456 10.1456 10.1603 10.1603 k = 0.0000 0.8376 0.1982 ( 904 PWs) bands (ev): -6.3539 -6.3539 -6.3460 -6.3460 -3.4698 -3.4698 -3.4600 -3.4600 1.8695 1.8695 1.9277 1.9277 3.5333 3.5333 3.6129 3.6129 5.1185 5.1185 5.2221 5.2221 8.5319 8.5319 8.5941 8.5941 10.2349 10.2349 10.2491 10.2491 k = 0.0000 0.8376 0.2162 ( 904 PWs) bands (ev): -6.3411 -6.3411 -6.3324 -6.3324 -3.4778 -3.4778 -3.4673 -3.4673 1.8300 1.8300 1.8914 1.8914 3.4614 3.4614 3.5425 3.5425 5.1538 5.1538 5.2598 5.2598 8.5900 8.5900 8.6559 8.6559 10.3042 10.3042 10.3187 10.3187 k = 0.0000 0.8376 0.2342 ( 904 PWs) bands (ev): -6.3274 -6.3274 -6.3180 -6.3180 -3.4865 -3.4865 -3.4754 -3.4754 1.7910 1.7910 1.8554 1.8554 3.3883 3.3883 3.4708 3.4708 5.1863 5.1863 5.2942 5.2942 8.6585 8.6585 8.7284 8.7284 10.3503 10.3503 10.3662 10.3662 k = 0.0000 0.8376 0.2522 ( 908 PWs) bands (ev): -6.3130 -6.3130 -6.3029 -6.3029 -3.4960 -3.4960 -3.4843 -3.4843 1.7530 1.7530 1.8200 1.8200 3.3139 3.3139 3.3976 3.3976 5.2159 5.2159 5.3254 5.3254 8.7360 8.7360 8.8103 8.8103 10.3748 10.3748 10.3932 10.3932 k = 0.0000 0.8376 0.2703 ( 908 PWs) bands (ev): -6.2979 -6.2979 -6.2870 -6.2870 -3.5060 -3.5060 -3.4937 -3.4937 1.7169 1.7169 1.7861 1.7861 3.2386 3.2386 3.3233 3.3233 5.2431 5.2431 5.3539 5.3539 8.8211 8.8211 8.9003 8.9003 10.3830 10.3830 10.4047 10.4047 k = 0.0000 0.8376 0.2883 ( 910 PWs) bands (ev): -6.2821 -6.2821 -6.2705 -6.2705 -3.5167 -3.5167 -3.5039 -3.5039 1.6828 1.6828 1.7540 1.7540 3.1624 3.1624 3.2480 3.2480 5.2682 5.2682 5.3800 5.3800 8.9114 8.9114 8.9959 8.9959 10.3809 10.3809 10.4067 10.4067 k = 0.0000 0.8376 0.3063 ( 910 PWs) bands (ev): -6.2659 -6.2659 -6.2535 -6.2535 -3.5280 -3.5280 -3.5147 -3.5147 1.6512 1.6512 1.7242 1.7242 3.0855 3.0855 3.1720 3.1720 5.2914 5.2914 5.4039 5.4039 9.0044 9.0044 9.0946 9.0946 10.3751 10.3751 10.4053 10.4053 k = 0.0000 0.8376 0.3243 ( 908 PWs) bands (ev): -6.2491 -6.2491 -6.2360 -6.2360 -3.5398 -3.5398 -3.5262 -3.5262 1.6226 1.6226 1.6970 1.6970 3.0081 3.0081 3.0953 3.0953 5.3131 5.3131 5.4261 5.4261 9.0965 9.0965 9.1925 9.1925 10.3716 10.3716 10.4065 10.4065 k = 0.0000 0.8376 0.3423 ( 906 PWs) bands (ev): -6.2322 -6.2322 -6.2184 -6.2184 -3.5520 -3.5520 -3.5382 -3.5382 1.5971 1.5971 1.6729 1.6729 2.9304 2.9304 3.0182 3.0182 5.3335 5.3335 5.4469 5.4469 9.1838 9.1838 9.2852 9.2852 10.3766 10.3766 10.4157 10.4157 k = 0.0000 0.8376 0.3603 ( 906 PWs) bands (ev): -6.2151 -6.2151 -6.2005 -6.2005 -3.5647 -3.5647 -3.5506 -3.5506 1.5751 1.5751 1.6520 1.6520 2.8526 2.8526 2.9410 2.9410 5.3529 5.3529 5.4664 5.4664 9.2618 9.2618 9.3673 9.3673 10.3962 10.3962 10.4381 10.4381 k = 0.0000 0.8376 0.3784 ( 906 PWs) bands (ev): -6.1979 -6.1979 -6.1827 -6.1827 -3.5777 -3.5777 -3.5634 -3.5634 1.5568 1.5568 1.6346 1.6346 2.7750 2.7750 2.8639 2.8639 5.3713 5.3713 5.4849 5.4849 9.3264 9.3264 9.4334 9.4334 10.4364 10.4364 10.4785 10.4785 k = 0.0000 0.8376 0.3964 ( 906 PWs) bands (ev): -6.1809 -6.1809 -6.1650 -6.1650 -3.5909 -3.5909 -3.5764 -3.5764 1.5425 1.5425 1.6210 1.6210 2.6979 2.6979 2.7872 2.7872 5.3889 5.3889 5.5025 5.5025 9.3746 9.3746 9.4800 9.4800 10.5007 10.5007 10.5399 10.5399 k = 0.0000 0.8376 0.4144 ( 908 PWs) bands (ev): -6.1642 -6.1642 -6.1475 -6.1475 -3.6041 -3.6041 -3.5896 -3.5896 1.5320 1.5320 1.6112 1.6112 2.6214 2.6214 2.7111 2.7111 5.4058 5.4058 5.5192 5.5192 9.4058 9.4058 9.5068 9.5068 10.5894 10.5894 10.6226 10.6226 k = 0.0000 0.8376 0.4324 ( 908 PWs) bands (ev): -6.1478 -6.1478 -6.1305 -6.1305 -3.6172 -3.6172 -3.6027 -3.6027 1.5259 1.5259 1.6055 1.6055 2.5459 2.5459 2.6360 2.6360 5.4219 5.4219 5.5351 5.5351 9.4216 9.4216 9.5164 9.5164 10.6995 10.6995 10.7251 10.7251 k = 0.0000 0.8376 0.4504 ( 906 PWs) bands (ev): -6.1319 -6.1319 -6.1139 -6.1139 -3.6302 -3.6302 -3.6156 -3.6156 1.5241 1.5241 1.6039 1.6039 2.4715 2.4715 2.5620 2.5620 5.4372 5.4372 5.5502 5.5502 9.4251 9.4251 9.5134 9.5134 10.8262 10.8262 10.8436 10.8436 k = 0.0000 0.8376 0.4685 ( 906 PWs) bands (ev): -6.1167 -6.1167 -6.0982 -6.0982 -3.6427 -3.6427 -3.6282 -3.6282 1.5265 1.5265 1.6064 1.6064 2.3986 2.3986 2.4896 2.4896 5.4517 5.4517 5.5645 5.5645 9.4193 9.4193 9.5014 9.5014 10.9647 10.9647 10.9742 10.9742 k = 0.0000 0.8376 0.4865 ( 910 PWs) bands (ev): -6.1025 -6.1025 -6.0834 -6.0834 -3.6548 -3.6548 -3.6404 -3.6404 1.5333 1.5333 1.6131 1.6131 2.3273 2.3273 2.4188 2.4188 5.4652 5.4652 5.5778 5.5778 9.4076 9.4076 9.4841 9.4841 11.1106 11.1106 11.1128 11.1128 k = 0.0000 0.8376 0.5045 ( 910 PWs) bands (ev): -6.0892 -6.0892 -6.0696 -6.0696 -3.6661 -3.6661 -3.6518 -3.6518 1.5443 1.5443 1.6239 1.6239 2.2580 2.2580 2.3501 2.3501 5.4778 5.4778 5.5901 5.5901 9.3923 9.3923 9.4642 9.4642 11.2559 11.2559 11.2602 11.2602 k = 0.0000 0.8376 0.5225 ( 908 PWs) bands (ev): -6.0769 -6.0769 -6.0568 -6.0568 -3.6765 -3.6765 -3.6623 -3.6623 1.5598 1.5598 1.6388 1.6388 2.1908 2.1908 2.2838 2.2838 5.4892 5.4892 5.6013 5.6013 9.3757 9.3757 9.4438 9.4438 11.3996 11.3996 11.4098 11.4098 k = 0.0000 0.8376 0.5405 ( 910 PWs) bands (ev): -6.0661 -6.0661 -6.0455 -6.0455 -3.6859 -3.6859 -3.6718 -3.6718 1.5793 1.5793 1.6575 1.6575 2.1260 2.1260 2.2200 2.2200 5.4994 5.4994 5.6113 5.6113 9.3588 9.3588 9.4237 9.4237 11.5404 11.5404 11.5558 11.5558 k = 0.0000 0.8376 0.5585 ( 910 PWs) bands (ev): -6.0567 -6.0567 -6.0357 -6.0357 -3.6942 -3.6942 -3.6802 -3.6802 1.6029 1.6029 1.6798 1.6798 2.0639 2.0639 2.1594 2.1594 5.5082 5.5082 5.6200 5.6200 9.3429 9.3429 9.4053 9.4053 11.6744 11.6744 11.6946 11.6946 k = 0.0000 0.8376 0.5766 ( 908 PWs) bands (ev): -6.0488 -6.0488 -6.0275 -6.0275 -3.7011 -3.7011 -3.6873 -3.6873 1.6303 1.6303 1.7053 1.7053 2.0050 2.0050 2.1025 2.1025 5.5156 5.5156 5.6273 5.6273 9.3290 9.3290 9.3895 9.3895 11.7969 11.7969 11.8212 11.8212 k = 0.0000 0.8376 0.5946 ( 910 PWs) bands (ev): -6.0425 -6.0425 -6.0210 -6.0210 -3.7067 -3.7067 -3.6929 -3.6929 1.6609 1.6609 1.7330 1.7330 1.9496 1.9496 2.0501 2.0501 5.5214 5.5214 5.6329 5.6329 9.3172 9.3172 9.3762 9.3762 11.9021 11.9021 11.9301 11.9301 k = 0.0000 0.8376 0.6126 ( 914 PWs) bands (ev): -6.0380 -6.0380 -6.0164 -6.0164 -3.7107 -3.7107 -3.6970 -3.6970 1.6939 1.6939 1.7610 1.7610 1.8988 1.8988 2.0044 2.0044 5.5257 5.5257 5.6371 5.6371 9.3084 9.3084 9.3664 9.3664 11.9842 11.9842 12.0150 12.0150 k = 0.0000 0.8376 0.6306 ( 920 PWs) bands (ev): -6.0354 -6.0354 -6.0136 -6.0136 -3.7132 -3.7132 -3.6996 -3.6996 1.7260 1.7260 1.7849 1.7849 1.8561 1.8561 1.9698 1.9698 5.5282 5.5282 5.6395 5.6395 9.3031 9.3031 9.3605 9.3605 12.0363 12.0363 12.0690 12.0690 k = 0.0000 0.8376 0.6486 ( 920 PWs) bands (ev): -6.0344 -6.0344 -6.0126 -6.0126 -3.7140 -3.7140 -3.7004 -3.7004 1.7430 1.7430 1.7952 1.7952 1.8355 1.8355 1.9560 1.9560 5.5290 5.5290 5.6404 5.6404 9.3013 9.3013 9.3585 9.3585 12.0545 12.0545 12.0878 12.0878 k = 0.0000 0.8376 0.6486 ( 920 PWs) bands (ev): -6.0344 -6.0344 -6.0126 -6.0126 -3.7140 -3.7140 -3.7004 -3.7004 1.7430 1.7430 1.7952 1.7952 1.8355 1.8355 1.9560 1.9560 5.5290 5.5290 5.6404 5.6404 9.3013 9.3013 9.3585 9.3585 12.0545 12.0545 12.0878 12.0878 k = 0.0173 0.8376 0.6486 ( 920 PWs) bands (ev): -6.0347 -6.0347 -6.0129 -6.0129 -3.7137 -3.7137 -3.7001 -3.7001 1.7283 1.7283 1.7547 1.7547 1.8769 1.8769 1.9717 1.9717 5.5288 5.5288 5.6402 5.6402 9.3035 9.3035 9.3607 9.3607 12.0538 12.0538 12.0871 12.0871 k = 0.0347 0.8376 0.6486 ( 916 PWs) bands (ev): -6.0355 -6.0355 -6.0137 -6.0137 -3.7126 -3.7126 -3.6990 -3.6990 1.6929 1.6929 1.7004 1.7004 1.9341 1.9341 2.0101 2.0101 5.5282 5.5282 5.6397 5.6397 9.3102 9.3102 9.3676 9.3676 12.0518 12.0518 12.0849 12.0849 k = 0.0520 0.8376 0.6486 ( 914 PWs) bands (ev): -6.0369 -6.0369 -6.0151 -6.0151 -3.7109 -3.7109 -3.6973 -3.6973 1.6465 1.6465 1.6486 1.6486 1.9928 1.9928 2.0593 2.0593 5.5271 5.5271 5.6388 5.6388 9.3206 9.3206 9.3783 9.3783 12.0482 12.0482 12.0810 12.0810 k = 0.0694 0.8376 0.6486 ( 906 PWs) bands (ev): -6.0388 -6.0388 -6.0171 -6.0171 -3.7085 -3.7085 -3.6949 -3.6949 1.5940 1.5940 1.6013 1.6013 2.0517 2.0517 2.1134 2.1134 5.5259 5.5259 5.6379 5.6379 9.3348 9.3348 9.3929 9.3929 12.0431 12.0431 12.0754 12.0754 k = 0.0867 0.8376 0.6486 ( 902 PWs) bands (ev): -6.0413 -6.0413 -6.0196 -6.0196 -3.7054 -3.7054 -3.6918 -3.6918 1.5433 1.5433 1.5536 1.5536 2.1104 2.1104 2.1694 2.1694 5.5248 5.5248 5.6370 5.6370 9.3524 9.3524 9.4111 9.4111 12.0365 12.0365 12.0682 12.0682 k = 0.1040 0.8376 0.6486 ( 906 PWs) bands (ev): -6.0446 -6.0446 -6.0229 -6.0229 -3.7017 -3.7017 -3.6881 -3.6881 1.4943 1.4943 1.5064 1.5064 2.1684 2.1684 2.2260 2.2260 5.5238 5.5238 5.6365 5.6365 9.3712 9.3712 9.4305 9.4305 12.0276 12.0276 12.0585 12.0585 k = 0.1214 0.8376 0.6486 ( 908 PWs) bands (ev): -6.0484 -6.0484 -6.0268 -6.0268 -3.6971 -3.6971 -3.6836 -3.6836 1.4476 1.4476 1.4608 1.4608 2.2253 2.2253 2.2823 2.2823 5.5235 5.5235 5.6366 5.6366 9.3918 9.3918 9.4519 9.4519 12.0169 12.0169 12.0466 12.0466 k = 0.1387 0.8376 0.6486 ( 908 PWs) bands (ev): -6.0528 -6.0528 -6.0313 -6.0313 -3.6918 -3.6918 -3.6782 -3.6782 1.4033 1.4033 1.4172 1.4172 2.2809 2.2809 2.3377 2.3377 5.5240 5.5240 5.6377 5.6377 9.4131 9.4131 9.4742 9.4742 12.0041 12.0041 12.0325 12.0325 k = 0.1561 0.8376 0.6486 ( 906 PWs) bands (ev): -6.0578 -6.0578 -6.0364 -6.0364 -3.6856 -3.6856 -3.6721 -3.6721 1.3614 1.3614 1.3757 1.3757 2.3346 2.3346 2.3915 2.3915 5.5258 5.5258 5.6400 5.6400 9.4338 9.4338 9.4959 9.4959 11.9889 11.9889 12.0156 12.0156 k = 0.1734 0.8376 0.6486 ( 906 PWs) bands (ev): -6.0635 -6.0635 -6.0422 -6.0422 -3.6787 -3.6787 -3.6652 -3.6652 1.3222 1.3222 1.3366 1.3366 2.3861 2.3861 2.4434 2.4434 5.5290 5.5290 5.6439 5.6439 9.4527 9.4527 9.5160 9.5160 11.9713 11.9713 11.9959 11.9959 k = 0.1907 0.8376 0.6486 ( 908 PWs) bands (ev): -6.0699 -6.0699 -6.0487 -6.0487 -3.6708 -3.6708 -3.6574 -3.6574 1.2855 1.2855 1.2999 1.2999 2.4350 2.4350 2.4928 2.4928 5.5339 5.5339 5.6495 5.6495 9.4687 9.4687 9.5334 9.5334 11.9515 11.9515 11.9737 11.9737 k = 0.2081 0.8376 0.6486 ( 908 PWs) bands (ev): -6.0769 -6.0769 -6.0559 -6.0559 -3.6621 -3.6621 -3.6487 -3.6487 1.2516 1.2516 1.2660 1.2660 2.4812 2.4812 2.5395 2.5395 5.5407 5.5407 5.6570 5.6570 9.4808 9.4808 9.5468 9.5468 11.9298 11.9298 11.9494 11.9494 k = 0.2254 0.8376 0.6486 ( 908 PWs) bands (ev): -6.0847 -6.0847 -6.0638 -6.0638 -3.6524 -3.6524 -3.6391 -3.6391 1.2205 1.2205 1.2347 1.2347 2.5241 2.5241 2.5830 2.5830 5.5494 5.5494 5.6664 5.6664 9.4879 9.4879 9.5552 9.5552 11.9072 11.9072 11.9241 11.9241 k = 0.2427 0.8376 0.6486 ( 906 PWs) bands (ev): -6.0931 -6.0931 -6.0724 -6.0724 -3.6417 -3.6417 -3.6285 -3.6285 1.1923 1.1923 1.2063 1.2063 2.5637 2.5637 2.6231 2.6231 5.5599 5.5599 5.6776 5.6776 9.4893 9.4893 9.5580 9.5580 11.8844 11.8844 11.8988 11.8988 k = 0.2601 0.8376 0.6486 ( 904 PWs) bands (ev): -6.1023 -6.1023 -6.0817 -6.0817 -3.6300 -3.6300 -3.6169 -3.6169 1.1669 1.1669 1.1807 1.1807 2.5998 2.5998 2.6596 2.6596 5.5721 5.5721 5.6905 5.6905 9.4847 9.4847 9.5544 9.5544 11.8624 11.8624 11.8747 11.8747 k = 0.2774 0.8376 0.6486 ( 906 PWs) bands (ev): -6.1122 -6.1122 -6.0918 -6.0918 -3.6173 -3.6173 -3.6043 -3.6043 1.1443 1.1443 1.1579 1.1579 2.6321 2.6321 2.6922 2.6922 5.5856 5.5856 5.7046 5.7046 9.4739 9.4739 9.5446 9.5446 11.8416 11.8416 11.8523 11.8523 k = 0.2774 0.8376 0.6486 ( 906 PWs) bands (ev): -6.1122 -6.1122 -6.0918 -6.0918 -3.6173 -3.6173 -3.6043 -3.6043 1.1443 1.1443 1.1579 1.1579 2.6321 2.6321 2.6922 2.6922 5.5856 5.5856 5.7046 5.7046 9.4739 9.4739 9.5446 9.5446 11.8416 11.8416 11.8523 11.8523 k = 0.2718 0.8205 0.6486 ( 910 PWs) bands (ev): -6.0815 -6.0815 -6.0605 -6.0605 -3.6566 -3.6566 -3.6433 -3.6433 1.2162 1.2162 1.2304 1.2304 2.5322 2.5322 2.5914 2.5914 5.5381 5.5381 5.6551 5.6551 9.5210 9.5210 9.5889 9.5889 11.9045 11.9045 11.9193 11.9193 k = 0.2661 0.8034 0.6486 ( 918 PWs) bands (ev): -6.0580 -6.0580 -6.0365 -6.0365 -3.6866 -3.6866 -3.6730 -3.6730 1.2921 1.2921 1.3067 1.3067 2.4341 2.4341 2.4929 2.4929 5.4882 5.4882 5.6034 5.6034 9.5728 9.5728 9.6382 9.6382 11.9607 11.9607 11.9794 11.9794 k = 0.2604 0.7863 0.6486 ( 914 PWs) bands (ev): -6.0420 -6.0420 -6.0203 -6.0203 -3.7062 -3.7062 -3.6924 -3.6924 1.3719 1.3719 1.3862 1.3862 2.3386 2.3386 2.3973 2.3973 5.4364 5.4364 5.5497 5.5497 9.6300 9.6300 9.6928 9.6928 12.0068 12.0068 12.0291 12.0291 k = 0.2548 0.7692 0.6486 ( 914 PWs) bands (ev): -6.0344 -6.0344 -6.0125 -6.0125 -3.7147 -3.7147 -3.7010 -3.7010 1.4550 1.4550 1.4684 1.4684 2.2453 2.2453 2.3050 2.3050 5.3828 5.3828 5.4944 5.4944 9.6916 9.6916 9.7520 9.7520 12.0379 12.0379 12.0631 12.0631 k = 0.2491 0.7522 0.6486 ( 914 PWs) bands (ev): -6.0352 -6.0352 -6.0134 -6.0134 -3.7119 -3.7119 -3.6983 -3.6983 1.5411 1.5411 1.5522 1.5522 2.1547 2.1547 2.2168 2.2168 5.3278 5.3278 5.4378 5.4378 9.7578 9.7578 9.8159 9.8159 12.0509 12.0509 12.0779 12.0779 k = 0.2435 0.7351 0.6486 ( 914 PWs) bands (ev): -6.0446 -6.0446 -6.0230 -6.0230 -3.6978 -3.6978 -3.6845 -3.6845 1.6298 1.6298 1.6358 1.6358 2.0671 2.0671 2.1345 2.1345 5.2719 5.2719 5.3804 5.3804 9.8284 9.8284 9.8843 9.8843 12.0444 12.0444 12.0725 12.0725 k = 0.2378 0.7180 0.6486 ( 914 PWs) bands (ev): -6.0622 -6.0622 -6.0410 -6.0410 -3.6725 -3.6725 -3.6596 -3.6596 1.7146 1.7146 1.7206 1.7206 1.9831 1.9831 2.0627 2.0627 5.2154 5.2154 5.3227 5.3227 9.9031 9.9031 9.9571 9.9571 12.0195 12.0195 12.0480 12.0480 k = 0.2321 0.7009 0.6486 ( 910 PWs) bands (ev): -6.0875 -6.0875 -6.0669 -6.0669 -3.6367 -3.6367 -3.6244 -3.6244 1.7736 1.7736 1.8100 1.8100 1.9059 1.9059 2.0163 2.0163 5.1588 5.1588 5.2649 5.2649 9.9817 9.9817 10.0339 10.0339 11.9794 11.9794 12.0078 12.0078 k = 0.2265 0.6838 0.6486 ( 910 PWs) bands (ev): -6.1198 -6.1198 -6.0998 -6.0998 -3.5912 -3.5912 -3.5795 -3.5795 1.7809 1.7809 1.8144 1.8144 1.9190 1.9190 2.0270 2.0270 5.1024 5.1024 5.2076 5.2076 10.0638 10.0638 10.1145 10.1145 11.9260 11.9260 11.9543 11.9543 k = 0.2208 0.6667 0.6486 ( 906 PWs) bands (ev): -6.1581 -6.1581 -6.1388 -6.1388 -3.5369 -3.5369 -3.5258 -3.5258 1.7395 1.7395 1.7438 1.7438 2.0124 2.0124 2.0920 2.0920 5.0468 5.0468 5.1513 5.1513 10.1493 10.1493 10.1987 10.1987 11.8627 11.8627 11.8905 11.8905 k = 0.2151 0.6496 0.6486 ( 908 PWs) bands (ev): -6.2018 -6.2018 -6.1833 -6.1833 -3.4749 -3.4749 -3.4646 -3.4646 1.6739 1.6739 1.6813 1.6813 2.1100 2.1100 2.1787 2.1787 4.9924 4.9924 5.0963 5.0963 10.2376 10.2376 10.2859 10.2859 11.7911 11.7911 11.8185 11.8185 k = 0.2095 0.6325 0.6486 ( 904 PWs) bands (ev): -6.2498 -6.2498 -6.2320 -6.2320 -3.4061 -3.4061 -3.3965 -3.3965 1.6078 1.6078 1.6205 1.6205 2.2089 2.2089 2.2732 2.2732 4.9398 4.9398 5.0433 5.0433 10.3287 10.3287 10.3763 10.3763 11.7137 11.7137 11.7404 11.7404 k = 0.2038 0.6154 0.6486 ( 904 PWs) bands (ev): -6.3014 -6.3014 -6.2844 -6.2844 -3.3318 -3.3318 -3.3228 -3.3228 1.5461 1.5461 1.5612 1.5612 2.3081 2.3081 2.3709 2.3709 4.8895 4.8895 4.9928 4.9928 10.4219 10.4219 10.4693 10.4693 11.6314 11.6314 11.6571 11.6571 k = 0.1982 0.5983 0.6486 ( 904 PWs) bands (ev): -6.3557 -6.3557 -6.3395 -6.3395 -3.2529 -3.2529 -3.2445 -3.2445 1.4890 1.4890 1.5052 1.5052 2.4070 2.4070 2.4698 2.4698 4.8422 4.8422 4.9454 4.9454 10.5168 10.5168 10.5645 10.5645 11.5455 11.5455 11.5696 11.5696 k = 0.1925 0.5812 0.6486 ( 904 PWs) bands (ev): -6.4121 -6.4121 -6.3967 -6.3967 -3.1701 -3.1701 -3.1623 -3.1623 1.4370 1.4370 1.4537 1.4537 2.5051 2.5051 2.5686 2.5686 4.7987 4.7987 4.9020 4.9020 10.6131 10.6131 10.6621 10.6621 11.4570 11.4570 11.4787 11.4787 k = 0.1868 0.5641 0.6486 ( 900 PWs) bands (ev): -6.4700 -6.4700 -6.4553 -6.4553 -3.0845 -3.0845 -3.0772 -3.0772 1.3906 1.3906 1.4071 1.4071 2.6013 2.6013 2.6661 2.6661 4.7597 4.7597 4.8632 4.8632 10.7085 10.7085 10.7606 10.7606 11.3676 11.3676 11.3852 11.3852 k = 0.1812 0.5470 0.6486 ( 900 PWs) bands (ev): -6.5289 -6.5289 -6.5149 -6.5149 -2.9972 -2.9972 -2.9903 -2.9903 1.3500 1.3500 1.3660 1.3660 2.6947 2.6947 2.7609 2.7609 4.7264 4.7264 4.8299 4.8299 10.8005 10.8005 10.8592 10.8592 11.2802 11.2802 11.2902 11.2902 k = 0.1755 0.5299 0.6486 ( 900 PWs) bands (ev): -6.5883 -6.5883 -6.5750 -6.5750 -2.9088 -2.9088 -2.9023 -2.9023 1.3156 1.3156 1.3310 1.3310 2.7844 2.7844 2.8521 2.8521 4.6997 4.6997 4.8031 4.8031 10.8803 10.8803 10.9543 10.9543 11.1970 11.1970 11.2034 11.2034 k = 0.1699 0.5128 0.6486 ( 900 PWs) bands (ev): -6.6477 -6.6477 -6.6351 -6.6351 -2.8202 -2.8202 -2.8140 -2.8140 1.2880 1.2880 1.3026 1.3026 2.8693 2.8693 2.9381 2.9381 4.6811 4.6811 4.7840 4.7840 10.9178 10.9178 11.0158 11.0158 11.1357 11.1357 11.1671 11.1671 k = 0.1642 0.4957 0.6486 ( 900 PWs) bands (ev): -6.7069 -6.7069 -6.6949 -6.6949 -2.7321 -2.7321 -2.7261 -2.7261 1.2676 1.2676 1.2813 1.2813 2.9480 2.9480 3.0174 3.0174 4.6720 4.6720 4.7738 4.7738 10.8780 10.8780 10.9558 10.9558 11.1934 11.1934 11.2058 11.2058 k = 0.1585 0.4786 0.6486 ( 900 PWs) bands (ev): -6.7656 -6.7656 -6.7542 -6.7542 -2.6452 -2.6452 -2.6394 -2.6394 1.2549 1.2549 1.2675 1.2675 3.0194 3.0194 3.0886 3.0886 4.6737 4.6737 4.7736 4.7736 10.7930 10.7930 10.8547 10.8547 11.2870 11.2870 11.2894 11.2894 k = 0.1529 0.4615 0.6486 ( 900 PWs) bands (ev): -6.8235 -6.8235 -6.8126 -6.8126 -2.5604 -2.5604 -2.5547 -2.5547 1.2504 1.2504 1.2619 1.2619 3.0823 3.0823 3.1503 3.1503 4.6875 4.6875 4.7844 4.7844 10.6917 10.6917 10.7453 10.7453 11.3812 11.3812 11.3899 11.3899 k = 0.1472 0.4445 0.6486 ( 900 PWs) bands (ev): -6.8803 -6.8803 -6.8700 -6.8700 -2.4784 -2.4784 -2.4727 -2.4727 1.2544 1.2544 1.2647 1.2647 3.1357 3.1357 3.2013 3.2013 4.7144 4.7144 4.8070 4.8070 10.5822 10.5822 10.6309 10.6309 11.4794 11.4794 11.4909 11.4909 k = 0.1415 0.4274 0.6486 ( 904 PWs) bands (ev): -6.9360 -6.9360 -6.9262 -6.9262 -2.3997 -2.3997 -2.3941 -2.3941 1.2675 1.2675 1.2766 1.2766 3.1792 3.1792 3.2412 3.2412 4.7546 4.7546 4.8417 4.8417 10.4661 10.4661 10.5113 10.5113 11.5782 11.5782 11.5904 11.5904 k = 0.1359 0.4103 0.6486 ( 904 PWs) bands (ev): -6.9903 -6.9903 -6.9810 -6.9810 -2.3250 -2.3250 -2.3194 -2.3194 1.2900 1.2900 1.2978 1.2978 3.2127 3.2127 3.2701 3.2701 4.8079 4.8079 4.8884 4.8884 10.3453 10.3453 10.3875 10.3875 11.6771 11.6771 11.6882 11.6882 k = 0.1302 0.3932 0.6486 ( 900 PWs) bands (ev): -7.0430 -7.0430 -7.0342 -7.0342 -2.2548 -2.2548 -2.2491 -2.2491 1.3224 1.3224 1.3289 1.3289 3.2366 3.2366 3.2887 3.2887 4.8732 4.8732 4.9465 4.9465 10.2194 10.2194 10.2587 10.2587 11.7745 11.7745 11.7818 11.7818 k = 0.1246 0.3761 0.6486 ( 900 PWs) bands (ev): -7.0941 -7.0941 -7.0858 -7.0858 -2.1895 -2.1895 -2.1837 -2.1837 1.3646 1.3646 1.3699 1.3699 3.2518 3.2518 3.2982 3.2982 4.9491 4.9491 5.0146 5.0146 10.0882 10.0882 10.1246 10.1246 11.8652 11.8652 11.8694 11.8694 k = 0.1189 0.3590 0.6486 ( 896 PWs) bands (ev): -7.1433 -7.1433 -7.1355 -7.1355 -2.1293 -2.1293 -2.1234 -2.1234 1.4171 1.4171 1.4212 1.4212 3.2594 3.2594 3.3000 3.3000 5.0337 5.0337 5.0914 5.0914 9.9516 9.9516 9.9849 9.9849 11.9054 11.9054 11.9555 11.9555 k = 0.1132 0.3419 0.6486 ( 896 PWs) bands (ev): -7.1908 -7.1908 -7.1834 -7.1834 -2.0746 -2.0746 -2.0686 -2.0686 1.4795 1.4795 1.4825 1.4825 3.2606 3.2606 3.2956 3.2956 5.1252 5.1252 5.1750 5.1750 9.8093 9.8093 9.8390 9.8390 11.8144 11.8144 11.8654 11.8654 k = 0.1076 0.3248 0.6486 ( 904 PWs) bands (ev): -7.2365 -7.2365 -7.2295 -7.2295 -2.0255 -2.0255 -2.0194 -2.0194 1.5517 1.5517 1.5535 1.5535 3.2567 3.2567 3.2864 3.2864 5.2214 5.2214 5.2636 5.2636 9.6622 9.6622 9.6881 9.6881 11.6647 11.6647 11.6973 11.6973 k = 0.1019 0.3077 0.6486 ( 908 PWs) bands (ev): -7.2800 -7.2800 -7.2734 -7.2734 -1.9817 -1.9817 -1.9756 -1.9756 1.6333 1.6333 1.6342 1.6342 3.2488 3.2488 3.2737 3.2737 5.3207 5.3207 5.3555 5.3555 9.5106 9.5106 9.5322 9.5322 11.5117 11.5117 11.5357 11.5357 k = 0.0962 0.2906 0.6486 ( 912 PWs) bands (ev): -7.3214 -7.3214 -7.3153 -7.3153 -1.9431 -1.9431 -1.9371 -1.9371 1.7239 1.7239 1.7239 1.7239 3.2380 3.2380 3.2584 3.2584 5.4211 5.4211 5.4488 5.4488 9.3555 9.3555 9.3727 9.3727 11.3638 11.3638 11.3821 11.3821 k = 0.0906 0.2735 0.6486 ( 908 PWs) bands (ev): -7.3607 -7.3607 -7.3550 -7.3550 -1.9095 -1.9095 -1.9035 -1.9035 1.8225 1.8225 1.8232 1.8232 3.2252 3.2252 3.2414 3.2414 5.5211 5.5211 5.5418 5.5418 9.1989 9.1989 9.2111 9.2111 11.2239 11.2239 11.2376 11.2376 k = 0.0849 0.2564 0.6486 ( 908 PWs) bands (ev): -7.3979 -7.3979 -7.3926 -7.3926 -1.8806 -1.8806 -1.8747 -1.8747 1.9289 1.9289 1.9302 1.9302 3.2109 3.2109 3.2232 3.2232 5.6184 5.6184 5.6323 5.6323 9.0419 9.0419 9.0489 9.0489 11.0911 11.0911 11.1009 11.1009 k = 0.0793 0.2393 0.6486 ( 908 PWs) bands (ev): -7.4328 -7.4328 -7.4279 -7.4279 -1.8558 -1.8558 -1.8501 -1.8501 2.0426 2.0426 2.0441 2.0441 3.1961 3.1961 3.2046 3.2046 5.7111 5.7111 5.7181 5.7181 8.8865 8.8865 8.8881 8.8881 10.9660 10.9660 10.9723 10.9723 k = 0.0736 0.2222 0.6486 ( 908 PWs) bands (ev): -7.4654 -7.4654 -7.4609 -7.4609 -1.8349 -1.8349 -1.8293 -1.8293 2.1625 2.1625 2.1639 2.1639 3.1812 3.1812 3.1861 3.1861 5.7968 5.7968 5.7971 5.7971 8.7314 8.7314 8.7354 8.7354 10.8481 10.8481 10.8512 10.8512 k = 0.0679 0.2051 0.6486 ( 904 PWs) bands (ev): -7.4957 -7.4957 -7.4915 -7.4915 -1.8173 -1.8173 -1.8120 -1.8120 2.2880 2.2880 2.2890 2.2890 3.1667 3.1667 3.1680 3.1680 5.8667 5.8667 5.8731 5.8731 8.5823 8.5823 8.5919 8.5919 10.7373 10.7373 10.7377 10.7377 k = 0.0623 0.1880 0.6486 ( 904 PWs) bands (ev): -7.5237 -7.5237 -7.5199 -7.5199 -1.8027 -1.8027 -1.7977 -1.7977 2.4171 2.4171 2.4173 2.4173 3.1505 3.1505 3.1533 3.1533 5.9241 5.9241 5.9370 5.9370 8.4432 8.4432 8.4585 8.4585 10.6307 10.6307 10.6327 10.6327 k = 0.0566 0.1709 0.6486 ( 904 PWs) bands (ev): -7.5493 -7.5493 -7.5459 -7.5459 -1.7908 -1.7908 -1.7861 -1.7861 2.5470 2.5470 2.5494 2.5494 3.1341 3.1341 3.1415 3.1415 5.9665 5.9665 5.9857 5.9857 8.3182 8.3182 8.3388 8.3388 10.5304 10.5304 10.5343 10.5343 k = 0.0510 0.1538 0.6486 ( 904 PWs) bands (ev): -7.5726 -7.5726 -7.5694 -7.5694 -1.7811 -1.7811 -1.7768 -1.7768 2.6762 2.6762 2.6827 2.6827 3.1189 3.1189 3.1325 3.1325 5.9915 5.9915 6.0162 6.0162 8.2106 8.2106 8.2358 8.2358 10.4367 10.4367 10.4422 10.4422 k = 0.0453 0.1368 0.6486 ( 900 PWs) bands (ev): -7.5934 -7.5934 -7.5906 -7.5906 -1.7733 -1.7733 -1.7694 -1.7694 2.8010 2.8010 2.8155 2.8155 3.1055 3.1055 3.1289 3.1289 5.9980 5.9980 6.0270 6.0270 8.1231 8.1231 8.1518 8.1518 10.3497 10.3497 10.3565 10.3565 k = 0.0396 0.1197 0.6486 ( 900 PWs) bands (ev): -7.6117 -7.6117 -7.6093 -7.6093 -1.7671 -1.7671 -1.7636 -1.7636 2.9120 2.9120 2.9438 2.9438 3.0955 3.0955 3.1375 3.1375 5.9854 5.9854 6.0171 6.0171 8.0573 8.0573 8.0878 8.0878 10.2699 10.2699 10.2773 10.2773 k = 0.0340 0.1026 0.6486 ( 902 PWs) bands (ev): -7.6277 -7.6277 -7.6257 -7.6257 -1.7622 -1.7622 -1.7591 -1.7591 2.9897 2.9897 3.0463 3.0463 3.1082 3.1082 3.1757 3.1757 5.9557 5.9557 5.9882 5.9882 8.0121 8.0121 8.0427 8.0427 10.1977 10.1977 10.2055 10.2055 k = 0.0283 0.0855 0.6486 ( 906 PWs) bands (ev): -7.6412 -7.6412 -7.6395 -7.6395 -1.7584 -1.7584 -1.7559 -1.7559 3.0226 3.0226 3.0599 3.0599 3.2032 3.2032 3.2516 3.2516 5.9139 5.9139 5.9451 5.9451 7.9851 7.9851 8.0137 8.0137 10.1337 10.1337 10.1412 10.1412 k = 0.0226 0.0684 0.6486 ( 906 PWs) bands (ev): -7.6522 -7.6522 -7.6509 -7.6509 -1.7555 -1.7555 -1.7535 -1.7535 3.0322 3.0322 3.0544 3.0544 3.3078 3.3078 3.3405 3.3405 5.8658 5.8658 5.8937 5.8937 7.9725 7.9725 7.9975 7.9975 10.0797 10.0797 10.0865 10.0865 k = 0.0170 0.0513 0.6486 ( 904 PWs) bands (ev): -7.6608 -7.6608 -7.6598 -7.6598 -1.7533 -1.7533 -1.7518 -1.7518 3.0346 3.0346 3.0483 3.0483 3.3990 3.3990 3.4218 3.4218 5.8183 5.8183 5.8412 5.8412 7.9697 7.9697 7.9896 7.9896 10.0364 10.0364 10.0420 10.0420 k = 0.0113 0.0342 0.6486 ( 896 PWs) bands (ev): -7.6668 -7.6668 -7.6661 -7.6661 -1.7518 -1.7518 -1.7507 -1.7507 3.0352 3.0352 3.0433 3.0433 3.4706 3.4706 3.4855 3.4855 5.7790 5.7790 5.7952 5.7952 7.9725 7.9725 7.9863 7.9863 10.0050 10.0050 10.0091 10.0091 k = 0.0057 0.0171 0.6486 ( 896 PWs) bands (ev): -7.6703 -7.6703 -7.6700 -7.6700 -1.7508 -1.7508 -1.7503 -1.7503 3.0357 3.0357 3.0395 3.0395 3.5173 3.5173 3.5248 3.5248 5.7542 5.7542 5.7626 5.7626 7.9771 7.9771 7.9842 7.9842 9.9861 9.9861 9.9882 9.9882 k = 0.0000 0.0000 0.6486 ( 896 PWs) bands (ev): -7.6714 -7.6714 -7.6714 -7.6714 -1.7503 -1.7503 -1.7503 -1.7503 3.0371 3.0371 3.0371 3.0371 3.5358 3.5358 3.5358 3.5358 5.7482 5.7482 5.7482 5.7482 7.9813 7.9813 7.9813 7.9813 9.9804 9.9804 9.9804 9.9804 k = 0.0000 0.0000 0.6486 ( 896 PWs) bands (ev): -7.6714 -7.6714 -7.6714 -7.6714 -1.7503 -1.7503 -1.7503 -1.7503 3.0371 3.0371 3.0371 3.0371 3.5358 3.5358 3.5358 3.5358 5.7482 5.7482 5.7482 5.7482 7.9813 7.9813 7.9813 7.9813 9.9804 9.9804 9.9804 9.9804 k = 0.0000 0.0000 0.6306 ( 900 PWs) bands (ev): -7.7358 -7.7358 -7.6063 -7.6063 -1.8264 -1.8264 -1.6721 -1.6721 2.9517 2.9517 3.1244 3.1244 3.4915 3.4915 3.5799 3.5799 5.6388 5.6388 5.8573 5.8573 7.9291 7.9291 8.0287 8.0287 9.9297 9.9297 10.0357 10.0357 k = 0.0000 0.0000 0.6126 ( 902 PWs) bands (ev): -7.7991 -7.7991 -7.5405 -7.5405 -1.9003 -1.9003 -1.5919 -1.5919 2.8683 2.8683 3.2135 3.2135 3.4473 3.4473 3.6238 3.6238 5.5295 5.5295 5.9663 5.9663 7.8728 7.8728 8.0712 8.0712 9.8837 9.8837 10.0954 10.0954 k = 0.0000 0.0000 0.5946 ( 906 PWs) bands (ev): -7.8613 -7.8613 -7.4741 -7.4741 -1.9721 -1.9721 -1.5096 -1.5096 2.7873 2.7873 3.3032 3.3032 3.4037 3.4037 3.6673 3.6673 5.4202 5.4202 6.0749 6.0749 7.8127 7.8127 8.1082 8.1082 9.8425 9.8425 10.1594 10.1594 k = 0.0000 0.0000 0.5766 ( 902 PWs) bands (ev): -7.9223 -7.9223 -7.4071 -7.4071 -2.0413 -2.0413 -1.4256 -1.4256 2.7088 2.7088 3.3512 3.3512 3.4038 3.4038 3.7106 3.7106 5.3122 5.3122 6.1829 6.1829 7.7493 7.7493 8.1401 8.1401 9.8062 9.8062 10.2276 10.2276 k = 0.0000 0.0000 0.5585 ( 900 PWs) bands (ev): -7.9822 -7.9822 -7.3396 -7.3396 -2.1080 -2.1080 -1.3398 -1.3398 2.6327 2.6327 3.3110 3.3110 3.4934 3.4934 3.7539 3.7539 5.2042 5.2042 6.2895 6.2895 7.6830 7.6830 8.1663 8.1663 9.7747 9.7747 10.3007 10.3007 k = 0.0000 0.0000 0.5405 ( 900 PWs) bands (ev): -8.0406 -8.0406 -7.2719 -7.2719 -2.1723 -2.1723 -1.2524 -1.2524 2.5591 2.5591 3.2674 3.2674 3.5865 3.5865 3.7975 3.7975 5.0971 5.0971 6.3944 6.3944 7.6142 7.6142 8.1865 8.1865 9.7478 9.7478 10.3769 10.3769 k = 0.0000 0.0000 0.5225 ( 900 PWs) bands (ev): -8.0978 -8.0978 -7.2041 -7.2041 -2.2340 -2.2340 -1.1636 -1.1636 2.4881 2.4881 3.2239 3.2239 3.6779 3.6779 3.8435 3.8435 4.9912 4.9912 6.4967 6.4967 7.5447 7.5447 8.2008 8.2008 9.7264 9.7264 10.4570 10.4570 k = 0.0000 0.0000 0.5045 ( 910 PWs) bands (ev): -8.1536 -8.1536 -7.1364 -7.1364 -2.2932 -2.2932 -1.0734 -1.0734 2.4195 2.4195 3.1806 3.1806 3.7631 3.7631 3.8952 3.8952 4.8865 4.8865 6.5947 6.5947 7.4754 7.4754 8.2085 8.2085 9.7088 9.7088 10.5399 10.5399 k = 0.0000 0.0000 0.4865 ( 910 PWs) bands (ev): -8.2079 -8.2079 -7.0689 -7.0689 -2.3496 -2.3496 -0.9821 -0.9821 2.3539 2.3539 3.1381 3.1381 3.8347 3.8347 3.9596 3.9596 4.7846 4.7846 6.6863 6.6863 7.4091 7.4091 8.2108 8.2108 9.6975 9.6975 10.6270 10.6270 k = 0.0000 0.0000 0.4685 ( 910 PWs) bands (ev): -8.2606 -8.2606 -7.0017 -7.0017 -2.4033 -2.4033 -0.8899 -0.8899 2.2911 2.2911 3.0963 3.0963 3.8891 3.8891 4.0381 4.0381 4.6868 4.6868 6.7664 6.7664 7.3509 7.3509 8.2074 8.2074 9.6911 9.6911 10.7175 10.7175 k = 0.0000 0.0000 0.4504 ( 906 PWs) bands (ev): -8.3116 -8.3116 -6.9350 -6.9350 -2.4541 -2.4541 -0.7967 -0.7967 2.2312 2.2312 3.0552 3.0552 3.9318 3.9318 4.1220 4.1220 4.5975 4.5975 6.8252 6.8252 7.3105 7.3105 8.1984 8.1984 9.6898 9.6898 10.8112 10.8112 k = 0.0000 0.0000 0.4324 ( 910 PWs) bands (ev): -8.3611 -8.3611 -6.8690 -6.8690 -2.5022 -2.5022 -0.7032 -0.7032 2.1743 2.1743 3.0150 3.0150 3.9667 3.9667 4.1934 4.1934 4.5280 4.5280 6.8486 6.8486 7.3015 7.3015 8.1843 8.1843 9.6933 9.6933 10.9078 10.9078 k = 0.0000 0.0000 0.4144 ( 910 PWs) bands (ev): -8.4089 -8.4089 -6.8039 -6.8039 -2.5474 -2.5474 -0.6093 -0.6093 2.1205 2.1205 2.9759 2.9759 3.9973 3.9973 4.2200 4.2200 4.5095 4.5095 6.8301 6.8301 7.3311 7.3311 8.1654 8.1654 9.7016 9.7016 11.0073 11.0073 k = 0.0000 0.0000 0.3964 ( 910 PWs) bands (ev): -8.4549 -8.4549 -6.7398 -6.7398 -2.5898 -2.5898 -0.5153 -0.5153 2.0700 2.0700 2.9378 2.9378 4.0220 4.0220 4.1841 4.1841 4.5605 4.5605 6.7789 6.7789 7.3897 7.3897 8.1423 8.1423 9.7144 9.7144 11.1093 11.1093 k = 0.0000 0.0000 0.3784 ( 906 PWs) bands (ev): -8.4990 -8.4990 -6.6770 -6.6770 -2.6292 -2.6292 -0.4217 -0.4217 2.0228 2.0228 2.9010 2.9010 4.0309 4.0309 4.1282 4.1282 4.6492 4.6492 6.7087 6.7087 7.4640 7.4640 8.1156 8.1156 9.7318 9.7318 11.0041 11.0041 k = 0.0000 0.0000 0.3603 ( 906 PWs) bands (ev): -8.5414 -8.5414 -6.6156 -6.6156 -2.6658 -2.6658 -0.3287 -0.3287 1.9790 1.9790 2.8653 2.8653 3.9877 3.9877 4.1107 4.1107 4.7520 4.7520 6.6279 6.6279 7.5450 7.5450 8.0857 8.0857 9.7531 9.7531 10.8721 10.8721 k = 0.0000 0.0000 0.3423 ( 902 PWs) bands (ev): -8.5819 -8.5819 -6.5559 -6.5559 -2.6995 -2.6995 -0.2365 -0.2365 1.9390 1.9390 2.8309 2.8309 3.9091 3.9091 4.1236 4.1236 4.8612 4.8612 6.5413 6.5413 7.6285 7.6285 8.0534 8.0534 9.7784 9.7784 10.7406 10.7406 k = 0.0000 0.0000 0.3243 ( 906 PWs) bands (ev): -8.6206 -8.6206 -6.4980 -6.4980 -2.7304 -2.7304 -0.1459 -0.1459 1.9028 1.9028 2.7971 2.7971 3.8233 3.8233 4.1415 4.1415 4.9735 4.9735 6.4510 6.4510 7.7117 7.7117 8.0192 8.0192 9.8070 9.8070 10.6096 10.6096 k = 0.0000 0.0000 0.3063 ( 904 PWs) bands (ev): -8.6572 -8.6572 -6.4421 -6.4421 -2.7585 -2.7585 -0.0574 -0.0574 1.8706 1.8706 2.7654 2.7654 3.7370 3.7370 4.1596 4.1596 5.0877 5.0877 6.3586 6.3586 7.7933 7.7933 7.9839 7.9839 9.8384 9.8384 10.4796 10.4796 k = 0.0000 0.0000 0.2883 ( 900 PWs) bands (ev): -8.6919 -8.6919 -6.3885 -6.3885 -2.7838 -2.7838 0.0288 0.0288 1.8427 1.8427 2.7353 2.7353 3.6520 3.6520 4.1771 4.1771 5.2028 5.2028 6.2654 6.2654 7.8723 7.8723 7.9482 7.9482 9.8723 9.8723 10.3511 10.3511 k = 0.0000 0.0000 0.2703 ( 900 PWs) bands (ev): -8.7247 -8.7247 -6.3372 -6.3372 -2.8065 -2.8065 0.1118 0.1118 1.8192 1.8192 2.7065 2.7065 3.5693 3.5693 4.1928 4.1928 5.3180 5.3180 6.1723 6.1723 7.9106 7.9106 7.9500 7.9500 9.9054 9.9054 10.2254 10.2254 k = 0.0000 0.0000 0.2522 ( 900 PWs) bands (ev): -8.7554 -8.7554 -6.2885 -6.2885 -2.8266 -2.8266 0.1912 0.1912 1.8005 1.8005 2.6794 2.6794 3.4894 3.4894 4.2071 4.2071 5.4325 5.4325 6.0805 6.0805 7.8761 7.8761 8.0214 8.0214 9.9312 9.9312 10.1102 10.1102 k = 0.0000 0.0000 0.2342 ( 900 PWs) bands (ev): -8.7841 -8.7841 -6.2425 -6.2425 -2.8442 -2.8442 0.2662 0.2662 1.7866 1.7866 2.6539 2.6539 3.4128 3.4128 4.2200 4.2200 5.5445 5.5445 5.9917 5.9917 7.8422 7.8422 8.0893 8.0893 9.9075 9.9075 10.0470 10.0470 k = 0.0000 0.0000 0.2162 ( 900 PWs) bands (ev): -8.8108 -8.8108 -6.1994 -6.1994 -2.8594 -2.8594 0.3362 0.3362 1.7777 1.7777 2.6300 2.6300 3.3401 3.3401 4.2315 4.2315 5.6492 5.6492 5.9111 5.9111 7.8099 7.8099 8.1526 8.1526 9.8079 9.8079 10.0622 10.0622 k = 0.0000 0.0000 0.1982 ( 896 PWs) bands (ev): -8.8354 -8.8354 -6.1592 -6.1592 -2.8722 -2.8722 0.4007 0.4007 1.7738 1.7738 2.6078 2.6078 3.2717 3.2717 4.2418 4.2418 5.7181 5.7181 5.8671 5.8671 7.7810 7.7810 8.2112 8.2112 9.6900 9.6900 10.0978 10.0978 k = 0.0000 0.0000 0.1802 ( 896 PWs) bands (ev): -8.8579 -8.8579 -6.1223 -6.1223 -2.8832 -2.8832 0.4590 0.4590 1.7747 1.7747 2.5872 2.5872 3.2078 3.2078 4.2507 4.2507 5.6882 5.6882 5.9227 5.9227 7.7539 7.7539 8.2646 8.2646 9.5705 9.5705 10.1373 10.1373 k = 0.0000 0.0000 0.1622 ( 894 PWs) bands (ev): -8.8783 -8.8783 -6.0886 -6.0886 -2.8923 -2.8923 0.5110 0.5110 1.7802 1.7802 2.5685 2.5685 3.1489 3.1489 4.2585 4.2585 5.6193 5.6193 6.0179 6.0179 7.7300 7.7300 8.3129 8.3129 9.4529 9.4529 10.1772 10.1772 k = 0.0000 0.0000 0.1441 ( 894 PWs) bands (ev): -8.8966 -8.8966 -6.0584 -6.0584 -2.8997 -2.8997 0.5563 0.5563 1.7896 1.7896 2.5515 2.5515 3.0952 3.0952 4.2652 4.2652 5.5479 5.5479 6.1161 6.1161 7.7097 7.7097 8.3553 8.3553 9.3389 9.3389 10.2160 10.2160 k = 0.0000 0.0000 0.1261 ( 898 PWs) bands (ev): -8.9128 -8.9128 -6.0315 -6.0315 -2.9058 -2.9058 0.5950 0.5950 1.8020 1.8020 2.5363 2.5363 3.0470 3.0470 4.2707 4.2707 5.4801 5.4801 6.2107 6.2107 7.6934 7.6934 8.3917 8.3917 9.2301 9.2301 10.2527 10.2527 k = 0.0000 0.0000 0.1081 ( 898 PWs) bands (ev): -8.9269 -8.9269 -6.0080 -6.0080 -2.9105 -2.9105 0.6274 0.6274 1.8164 1.8164 2.5230 2.5230 3.0047 3.0047 4.2753 4.2753 5.4182 5.4182 6.2988 6.2988 7.6814 7.6814 8.4230 8.4230 9.1285 9.1285 10.2863 10.2863 k = 0.0000 0.0000 0.0901 ( 896 PWs) bands (ev): -8.9388 -8.9388 -5.9881 -5.9881 -2.9142 -2.9142 0.6537 0.6537 1.8317 1.8317 2.5116 2.5116 2.9686 2.9686 4.2790 4.2790 5.3636 5.3636 6.3782 6.3782 7.6737 7.6737 8.4485 8.4485 9.0361 9.0361 10.3163 10.3163 k = 0.0000 0.0000 0.0721 ( 896 PWs) bands (ev): -8.9485 -8.9485 -5.9718 -5.9718 -2.9169 -2.9169 0.6744 0.6744 1.8465 1.8465 2.5022 2.5022 2.9387 2.9387 4.2819 4.2819 5.3173 5.3173 6.4467 6.4467 7.6699 7.6699 8.4681 8.4681 8.9554 8.9554 10.3419 10.3419 k = 0.0000 0.0000 0.0541 ( 896 PWs) bands (ev): -8.9561 -8.9561 -5.9591 -5.9591 -2.9189 -2.9189 0.6899 0.6899 1.8595 1.8595 2.4948 2.4948 2.9153 2.9153 4.2841 4.2841 5.2803 5.2803 6.5026 6.5026 7.6692 7.6692 8.4819 8.4819 8.8891 8.8891 10.3624 10.3624 k = 0.0000 0.0000 0.0360 ( 896 PWs) bands (ev): -8.9615 -8.9615 -5.9500 -5.9500 -2.9202 -2.9202 0.7006 0.7006 1.8697 1.8697 2.4895 2.4895 2.8985 2.8985 4.2855 4.2855 5.2533 5.2533 6.5439 6.5439 7.6704 7.6704 8.4903 8.4903 8.8400 8.8400 10.3775 10.3775 k = 0.0000 0.0000 0.0180 ( 901 PWs) bands (ev): -8.9648 -8.9648 -5.9446 -5.9446 -2.9209 -2.9209 0.7069 0.7069 1.8761 1.8761 2.4860 2.4860 2.8883 2.8883 4.2860 4.2860 5.2367 5.2367 6.5692 6.5692 7.6720 7.6720 8.4940 8.4940 8.8094 8.8094 10.3863 10.3863 k = 0.0000 0.0000 0.0000 ( 897 PWs) bands (ev): -8.9658 -8.9658 -5.9427 -5.9427 -2.9211 -2.9211 0.7089 0.7089 1.8784 1.8784 2.4851 2.4851 2.8851 2.8851 4.2864 4.2864 5.2312 5.2312 6.5778 6.5778 7.6727 7.6727 8.4952 8.4952 8.7996 8.7996 10.3897 10.3897 k = 0.0000 0.0000 0.0000 ( 897 PWs) bands (ev): -8.9658 -8.9658 -5.9427 -5.9427 -2.9211 -2.9211 0.7089 0.7089 1.8784 1.8784 2.4851 2.4851 2.8851 2.8851 4.2864 4.2864 5.2312 5.2312 6.5778 6.5778 7.6727 7.6727 8.4952 8.4952 8.7996 8.7996 10.3897 10.3897 k =-0.0172 0.0057-0.0000 ( 901 PWs) bands (ev): -8.9654 -8.9654 -5.9439 -5.9439 -2.9210 -2.9210 0.7109 0.7109 1.8771 1.8771 2.4845 2.4845 2.8847 2.8847 4.2872 4.2872 5.2309 5.2309 6.5806 6.5806 7.6711 7.6711 8.4964 8.4964 8.8012 8.8012 10.3888 10.3888 k =-0.0345 0.0114-0.0000 ( 901 PWs) bands (ev): -8.9642 -8.9642 -5.9474 -5.9474 -2.9204 -2.9204 0.7168 0.7168 1.8733 1.8733 2.4830 2.4830 2.8842 2.8842 4.2898 4.2898 5.2302 5.2302 6.5892 6.5892 7.6663 7.6663 8.5002 8.5002 8.8068 8.8068 10.3871 10.3871 k =-0.0517 0.0171-0.0000 ( 895 PWs) bands (ev): -8.9622 -8.9622 -5.9531 -5.9531 -2.9195 -2.9195 0.7267 0.7267 1.8671 1.8671 2.4807 2.4807 2.8832 2.8832 4.2942 4.2942 5.2292 5.2292 6.6035 6.6035 7.6588 7.6588 8.5071 8.5071 8.8166 8.8166 10.3842 10.3842 k =-0.0690 0.0228-0.0000 ( 893 PWs) bands (ev): -8.9594 -8.9594 -5.9611 -5.9611 -2.9182 -2.9182 0.7404 0.7404 1.8584 1.8584 2.4777 2.4777 2.8814 2.8814 4.3005 4.3005 5.2285 5.2285 6.6231 6.6231 7.6484 7.6484 8.5151 8.5151 8.8285 8.8285 10.3806 10.3806 k =-0.0862 0.0286-0.0000 ( 893 PWs) bands (ev): -8.9558 -8.9558 -5.9712 -5.9712 -2.9166 -2.9166 0.7578 0.7578 1.8475 1.8475 2.4735 2.4735 2.8786 2.8786 4.3081 4.3081 5.2283 5.2283 6.6481 6.6481 7.6357 7.6357 8.5248 8.5248 8.8425 8.8425 10.3756 10.3756 k =-0.1034 0.0343-0.0000 ( 893 PWs) bands (ev): -8.9516 -8.9516 -5.9833 -5.9833 -2.9146 -2.9146 0.7789 0.7789 1.8346 1.8346 2.4686 2.4686 2.8747 2.8747 4.3171 4.3171 5.2296 5.2296 6.6782 6.6782 7.6209 7.6209 8.5355 8.5355 8.8576 8.8576 10.3696 10.3696 k =-0.1207 0.0400-0.0000 ( 893 PWs) bands (ev): -8.9466 -8.9466 -5.9972 -5.9972 -2.9124 -2.9124 0.8035 0.8035 1.8197 1.8197 2.4629 2.4629 2.8691 2.8691 4.3276 4.3276 5.2329 5.2329 6.7130 6.7130 7.6044 7.6044 8.5468 8.5468 8.8728 8.8728 10.3628 10.3628 k =-0.1379 0.0457-0.0000 ( 893 PWs) bands (ev): -8.9410 -8.9410 -6.0127 -6.0127 -2.9098 -2.9098 0.8314 0.8314 1.8032 1.8032 2.4565 2.4565 2.8616 2.8616 4.3392 4.3392 5.2391 5.2391 6.7524 6.7524 7.5868 7.5868 8.5583 8.5583 8.8866 8.8866 10.3552 10.3552 k =-0.1552 0.0514-0.0000 ( 893 PWs) bands (ev): -8.9348 -8.9348 -6.0298 -6.0298 -2.9070 -2.9070 0.8626 0.8626 1.7853 1.7853 2.4495 2.4495 2.8517 2.8517 4.3521 4.3521 5.2489 5.2489 6.7958 6.7958 7.5684 7.5684 8.5694 8.5694 8.8978 8.8978 10.3469 10.3469 k =-0.1724 0.0571-0.0000 ( 893 PWs) bands (ev): -8.9281 -8.9281 -6.0481 -6.0481 -2.9040 -2.9040 0.8968 0.8968 1.7662 1.7662 2.4419 2.4419 2.8391 2.8391 4.3658 4.3658 5.2631 5.2631 6.8428 6.8428 7.5495 7.5495 8.5798 8.5798 8.9047 8.9047 10.3380 10.3380 k =-0.1897 0.0628-0.0000 ( 889 PWs) bands (ev): -8.9208 -8.9208 -6.0675 -6.0675 -2.9007 -2.9007 0.9338 0.9338 1.7462 1.7462 2.4340 2.4340 2.8235 2.8235 4.3804 4.3804 5.2824 5.2824 6.8930 6.8930 7.5308 7.5308 8.5891 8.5891 8.9058 8.9058 10.3290 10.3290 k =-0.2069 0.0685-0.0000 ( 889 PWs) bands (ev): -8.9133 -8.9133 -6.0877 -6.0877 -2.8974 -2.8974 0.9735 0.9735 1.7255 1.7255 2.4256 2.4256 2.8046 2.8046 4.3956 4.3956 5.3074 5.3074 6.9458 6.9458 7.5124 7.5124 8.5967 8.5967 8.8997 8.8997 10.3193 10.3193 k =-0.2241 0.0742-0.0000 ( 889 PWs) bands (ev): -8.9054 -8.9054 -6.1085 -6.1085 -2.8939 -2.8939 1.0156 1.0156 1.7045 1.7045 2.4170 2.4170 2.7822 2.7822 4.4112 4.4112 5.3385 5.3385 7.0004 7.0004 7.4951 7.4951 8.6023 8.6023 8.8850 8.8850 10.3094 10.3094 k =-0.2414 0.0799-0.0000 ( 895 PWs) bands (ev): -8.8973 -8.8973 -6.1300 -6.1300 -2.8903 -2.8903 1.0598 1.0598 1.6832 1.6832 2.4080 2.4080 2.7564 2.7564 4.4271 4.4271 5.3761 5.3761 7.0559 7.0559 7.4794 7.4794 8.6053 8.6053 8.8609 8.8609 10.2991 10.2991 k =-0.2586 0.0857-0.0000 ( 891 PWs) bands (ev): -8.8890 -8.8890 -6.1513 -6.1513 -2.8867 -2.8867 1.1063 1.1063 1.6621 1.6621 2.3990 2.3990 2.7271 2.7271 4.4429 4.4429 5.4203 5.4203 7.1110 7.1110 7.4665 7.4665 8.6052 8.6052 8.8275 8.8275 10.2891 10.2891 k =-0.2759 0.0914-0.0000 ( 885 PWs) bands (ev): -8.8807 -8.8807 -6.1722 -6.1722 -2.8830 -2.8830 1.1546 1.1546 1.6413 1.6413 2.3897 2.3897 2.6945 2.6945 4.4587 4.4587 5.4711 5.4711 7.1638 7.1638 7.4584 7.4584 8.6004 8.6004 8.7854 8.7854 10.2792 10.2792 k =-0.2931 0.0971-0.0000 ( 885 PWs) bands (ev): -8.8723 -8.8723 -6.1931 -6.1931 -2.8794 -2.8794 1.2045 1.2045 1.6210 1.6210 2.3801 2.3801 2.6590 2.6590 4.4740 4.4740 5.5283 5.5283 7.2109 7.2109 7.4572 7.4572 8.5878 8.5878 8.7376 8.7376 10.2694 10.2694 k =-0.3103 0.1028-0.0000 ( 893 PWs) bands (ev): -8.8643 -8.8643 -6.2133 -6.2133 -2.8762 -2.8762 1.2558 1.2558 1.6016 1.6016 2.3700 2.3700 2.6209 2.6209 4.4889 4.4889 5.5913 5.5913 7.2476 7.2476 7.4665 7.4665 8.5602 8.5602 8.6922 8.6922 10.2600 10.2600 k =-0.3276 0.1085-0.0000 ( 891 PWs) bands (ev): -8.8564 -8.8564 -6.2327 -6.2327 -2.8729 -2.8729 1.3082 1.3082 1.5831 1.5831 2.3593 2.3593 2.5812 2.5812 4.5031 4.5031 5.6596 5.6596 7.2707 7.2707 7.4911 7.4911 8.5099 8.5099 8.6582 8.6582 10.2511 10.2511 k =-0.3448 0.1142-0.0000 ( 891 PWs) bands (ev): -8.8489 -8.8489 -6.2510 -6.2510 -2.8697 -2.8697 1.3614 1.3614 1.5658 1.5658 2.3473 2.3473 2.5409 2.5409 4.5164 4.5164 5.7323 5.7323 7.2809 7.2809 7.5285 7.5285 8.4387 8.4387 8.6355 8.6355 10.2428 10.2428 k =-0.3621 0.1199-0.0000 ( 891 PWs) bands (ev): -8.8419 -8.8419 -6.2680 -6.2680 -2.8668 -2.8668 1.4152 1.4152 1.5498 1.5498 2.3328 2.3328 2.5016 2.5016 4.5287 4.5287 5.8084 5.8084 7.2828 7.2828 7.5736 7.5736 8.3549 8.3549 8.6180 8.6180 10.2351 10.2351 k =-0.3793 0.1256-0.0000 ( 888 PWs) bands (ev): -8.8354 -8.8354 -6.2835 -6.2835 -2.8640 -2.8640 1.4695 1.4695 1.5354 1.5354 2.3144 2.3144 2.4655 2.4655 4.5398 4.5398 5.8864 5.8864 7.2805 7.2805 7.6217 7.6217 8.2648 8.2648 8.6022 8.6022 10.2281 10.2281 k =-0.3966 0.1313-0.0000 ( 900 PWs) bands (ev): -8.8296 -8.8296 -6.2976 -6.2976 -2.8618 -2.8618 1.5219 1.5219 1.5232 1.5232 2.2898 2.2898 2.4352 2.4352 4.5496 4.5496 5.9644 5.9644 7.2762 7.2762 7.6691 7.6691 8.1716 8.1716 8.5867 8.5867 10.2219 10.2219 k =-0.4138 0.1371-0.0000 ( 904 PWs) bands (ev): -8.8245 -8.8245 -6.3096 -6.3096 -2.8597 -2.8597 1.5115 1.5115 1.5748 1.5748 2.2586 2.2586 2.4124 2.4124 4.5579 4.5579 6.0401 6.0401 7.2717 7.2717 7.7139 7.7139 8.0816 8.0816 8.5716 8.5716 10.2165 10.2165 k =-0.4310 0.1428-0.0000 ( 908 PWs) bands (ev): -8.8203 -8.8203 -6.3197 -6.3197 -2.8581 -2.8581 1.5022 1.5022 1.6246 1.6246 2.2227 2.2227 2.3967 2.3967 4.5650 4.5650 6.1105 6.1105 7.2674 7.2674 7.7539 7.7539 7.9979 7.9979 8.5572 8.5572 10.2119 10.2119 k =-0.4483 0.1485-0.0000 ( 904 PWs) bands (ev): -8.8169 -8.8169 -6.3276 -6.3276 -2.8566 -2.8566 1.4950 1.4950 1.6702 1.6702 2.1862 2.1862 2.3867 2.3867 4.5706 4.5706 6.1721 6.1721 7.2649 7.2649 7.7875 7.7875 7.9252 7.9252 8.5447 8.5447 10.2088 10.2088 k =-0.4655 0.1542-0.0000 ( 904 PWs) bands (ev): -8.8144 -8.8144 -6.3334 -6.3334 -2.8556 -2.8556 1.4898 1.4898 1.7085 1.7085 2.1533 2.1533 2.3803 2.3803 4.5747 4.5747 6.2206 6.2206 7.2626 7.2626 7.8124 7.8124 7.8685 7.8685 8.5345 8.5345 10.2063 10.2063 k =-0.4828 0.1599-0.0000 ( 904 PWs) bands (ev): -8.8129 -8.8129 -6.3369 -6.3369 -2.8550 -2.8550 1.4866 1.4866 1.7350 1.7350 2.1297 2.1297 2.3768 2.3768 4.5771 4.5771 6.2519 6.2519 7.2614 7.2614 7.8233 7.8233 7.8367 7.8367 8.5279 8.5279 10.2047 10.2047 k =-0.5000 0.1656-0.0000 ( 902 PWs) bands (ev): -8.8124 -8.8124 -6.3380 -6.3380 -2.8548 -2.8548 1.4856 1.4856 1.7448 1.7448 2.1210 2.1210 2.3757 2.3757 4.5779 4.5779 6.2628 6.2628 7.2610 7.2610 7.8158 7.8158 7.8372 7.8372 8.5258 8.5258 10.2042 10.2042 k =-0.5000 0.1656-0.0000 ( 902 PWs) bands (ev): -8.8124 -8.8124 -6.3380 -6.3380 -2.8548 -2.8548 1.4856 1.4856 1.7448 1.7448 2.1210 2.1210 2.3757 2.3757 4.5779 4.5779 6.2628 6.2628 7.2610 7.2610 7.8158 7.8158 7.8372 7.8372 8.5258 8.5258 10.2042 10.2042 k =-0.4943 0.1828-0.0000 ( 902 PWs) bands (ev): -8.8111 -8.8111 -6.3366 -6.3366 -2.8571 -2.8571 1.4824 1.4824 1.7458 1.7458 2.1217 2.1217 2.3712 2.3712 4.5707 4.5707 6.2628 6.2628 7.2688 7.2688 7.8170 7.8170 7.8374 7.8374 8.5382 8.5382 10.1938 10.1938 k =-0.4886 0.2001-0.0000 ( 902 PWs) bands (ev): -8.8070 -8.8070 -6.3322 -6.3322 -2.8642 -2.8642 1.4728 1.4728 1.7489 1.7489 2.1235 2.1235 2.3583 2.3583 4.5495 4.5495 6.2628 6.2628 7.2912 7.2912 7.8202 7.8202 7.8390 7.8390 8.5749 8.5749 10.1629 10.1629 k =-0.4829 0.2173-0.0000 ( 906 PWs) bands (ev): -8.8003 -8.8003 -6.3250 -6.3250 -2.8761 -2.8761 1.4567 1.4567 1.7540 1.7540 2.1260 2.1260 2.3379 2.3379 4.5154 4.5154 6.2627 6.2627 7.3244 7.3244 7.8255 7.8255 7.8445 7.8445 8.6345 8.6345 10.1128 10.1128 k =-0.4772 0.2345-0.0000 ( 902 PWs) bands (ev): -8.7909 -8.7909 -6.3149 -6.3149 -2.8927 -2.8927 1.4338 1.4338 1.7611 1.7611 2.1279 2.1279 2.3127 2.3127 4.4708 4.4708 6.2625 6.2625 7.3636 7.3636 7.8334 7.8334 7.8593 7.8593 8.7151 8.7151 10.0466 10.0466 k =-0.4715 0.2518-0.0000 ( 902 PWs) bands (ev): -8.7789 -8.7789 -6.3020 -6.3020 -2.9142 -2.9142 1.4040 1.4040 1.7702 1.7702 2.1262 2.1262 2.2862 2.2862 4.4174 4.4174 6.2621 6.2621 7.3985 7.3985 7.8445 7.8445 7.8907 7.8907 8.8141 8.8141 9.9664 9.9664 k =-0.4658 0.2690-0.0000 ( 902 PWs) bands (ev): -8.7641 -8.7641 -6.2861 -6.2861 -2.9405 -2.9405 1.3669 1.3669 1.7812 1.7812 2.1158 2.1158 2.2651 2.2651 4.3578 4.3578 6.2614 6.2614 7.4191 7.4191 7.8581 7.8581 7.9484 7.9484 8.9282 8.9282 9.8755 9.8755 k =-0.4601 0.2862-0.0000 ( 898 PWs) bands (ev): -8.7466 -8.7466 -6.2673 -6.2673 -2.9717 -2.9717 1.3223 1.3223 1.7943 1.7943 2.0916 2.0916 2.2562 2.2562 4.2947 4.2947 6.2600 6.2600 7.4199 7.4199 7.8738 7.8738 8.0371 8.0371 9.0542 9.0542 9.7773 9.7773 k =-0.4543 0.3035-0.0000 ( 898 PWs) bands (ev): -8.7265 -8.7265 -6.2457 -6.2457 -3.0080 -3.0080 1.2697 1.2697 1.8090 1.8090 2.0542 2.0542 2.2598 2.2598 4.2302 4.2302 6.2577 6.2577 7.4014 7.4014 7.8915 7.8915 8.1549 8.1549 9.1874 9.1874 9.6750 9.6750 k =-0.4486 0.3207-0.0000 ( 898 PWs) bands (ev): -8.7038 -8.7038 -6.2213 -6.2213 -3.0494 -3.0494 1.2089 1.2089 1.8253 1.8253 2.0087 2.0087 2.2725 2.2725 4.1666 4.1666 6.2543 6.2543 7.3675 7.3675 7.9112 7.9112 8.2967 8.2967 9.3178 9.3178 9.5779 9.5779 k =-0.4429 0.3379-0.0000 ( 894 PWs) bands (ev): -8.6783 -8.6783 -6.1939 -6.1939 -3.0958 -3.0958 1.1400 1.1400 1.8429 1.8429 1.9599 1.9599 2.2914 2.2914 4.1061 4.1061 6.2493 6.2493 7.3218 7.3218 7.9329 7.9329 8.4581 8.4581 9.3832 9.3832 9.5473 9.5473 k =-0.4372 0.3551-0.0000 ( 895 PWs) bands (ev): -8.6502 -8.6502 -6.1636 -6.1636 -3.1476 -3.1476 1.0627 1.0627 1.8583 1.8583 1.9134 1.9134 2.3146 2.3146 4.0490 4.0490 6.2423 6.2423 7.2666 7.2666 7.9565 7.9565 8.6342 8.6342 9.3096 9.3096 9.6545 9.6545 k =-0.4315 0.3724-0.0000 ( 897 PWs) bands (ev): -8.6194 -8.6194 -6.1306 -6.1306 -3.2044 -3.2044 0.9772 0.9772 1.8452 1.8452 1.8981 1.8981 2.3413 2.3413 3.9970 3.9970 6.2328 6.2328 7.2037 7.2037 7.9820 7.9820 8.8245 8.8245 9.2078 9.2078 9.7865 9.7865 k =-0.4258 0.3896-0.0000 ( 893 PWs) bands (ev): -8.5861 -8.5861 -6.0944 -6.0944 -3.2663 -3.2663 0.8837 0.8837 1.8018 1.8018 1.9166 1.9166 2.3712 2.3712 3.9508 3.9508 6.2204 6.2204 7.1342 7.1342 8.0098 8.0098 9.0254 9.0254 9.1054 9.1054 9.9136 9.9136 k =-0.4201 0.4068-0.0000 ( 889 PWs) bands (ev): -8.5500 -8.5500 -6.0556 -6.0556 -3.3332 -3.3332 0.7827 0.7827 1.7574 1.7574 1.9407 1.9407 2.4040 2.4040 3.9110 3.9110 6.2044 6.2044 7.0589 7.0589 8.0389 8.0389 9.0044 9.0044 9.2380 9.2380 10.0278 10.0278 k =-0.4144 0.4241-0.0000 ( 893 PWs) bands (ev): -8.5114 -8.5114 -6.0139 -6.0139 -3.4051 -3.4051 0.6743 0.6743 1.7155 1.7155 1.9669 1.9669 2.4395 2.4395 3.8773 3.8773 6.1843 6.1843 6.9782 6.9782 8.0696 8.0696 8.9104 8.9104 9.4570 9.4570 10.1227 10.1227 k =-0.4087 0.4413-0.0000 ( 893 PWs) bands (ev): -8.4701 -8.4701 -5.9693 -5.9693 -3.4817 -3.4817 0.5595 0.5595 1.6777 1.6777 1.9948 1.9948 2.4774 2.4774 3.8505 3.8505 6.1595 6.1595 6.8933 6.8933 8.1018 8.1018 8.8233 8.8233 9.6831 9.6831 10.1949 10.1949 k =-0.4030 0.4585-0.0000 ( 895 PWs) bands (ev): -8.4263 -8.4263 -5.9219 -5.9219 -3.5630 -3.5630 0.4388 0.4388 1.6444 1.6444 2.0238 2.0238 2.5179 2.5179 3.8298 3.8298 6.1296 6.1296 6.8044 6.8044 8.1352 8.1352 8.7443 8.7443 9.9144 9.9144 10.2408 10.2408 k =-0.3973 0.4758-0.0000 ( 891 PWs) bands (ev): -8.3798 -8.3798 -5.8715 -5.8715 -3.6485 -3.6485 0.3130 0.3130 1.6158 1.6158 2.0543 2.0543 2.5607 2.5607 3.8153 3.8153 6.0945 6.0945 6.7120 6.7120 8.1698 8.1698 8.6748 8.6748 10.1481 10.1481 10.2608 10.2608 k =-0.3916 0.4930-0.0000 ( 887 PWs) bands (ev): -8.3307 -8.3307 -5.8184 -5.8184 -3.7383 -3.7383 0.1828 0.1828 1.5923 1.5923 2.0856 2.0856 2.6058 2.6058 3.8066 3.8066 6.0537 6.0537 6.6164 6.6164 8.2052 8.2052 8.6151 8.6151 10.2485 10.2485 10.3895 10.3895 k =-0.3859 0.5102-0.0000 ( 887 PWs) bands (ev): -8.2791 -8.2791 -5.7624 -5.7624 -3.8319 -3.8319 0.0487 0.0487 1.5739 1.5739 2.1177 2.1177 2.6532 2.6532 3.8029 3.8029 6.0073 6.0073 6.5180 6.5180 8.2409 8.2409 8.5660 8.5660 10.2184 10.2184 10.6234 10.6234 k =-0.3802 0.5275-0.0000 ( 891 PWs) bands (ev): -8.2250 -8.2250 -5.7037 -5.7037 -3.9293 -3.9293 -0.0887 -0.0887 1.5603 1.5603 2.1503 2.1503 2.7027 2.7027 3.8041 3.8041 5.9554 5.9554 6.4176 6.4176 8.2763 8.2763 8.5276 8.5276 10.1671 10.1671 10.8491 10.8491 k =-0.3744 0.5447-0.0000 ( 891 PWs) bands (ev): -8.1683 -8.1683 -5.6420 -5.6420 -4.0298 -4.0298 -0.2287 -0.2287 1.5520 1.5520 2.1833 2.1833 2.7543 2.7543 3.8095 3.8095 5.8986 5.8986 6.3152 6.3152 8.3111 8.3111 8.5005 8.5005 10.0999 10.0999 11.0454 11.0454 k =-0.3687 0.5619-0.0000 ( 891 PWs) bands (ev): -8.1091 -8.1091 -5.5776 -5.5776 -4.1332 -4.1332 -0.3707 -0.3707 1.5486 1.5486 2.2164 2.2164 2.8079 2.8079 3.8188 3.8188 5.8375 5.8375 6.2115 6.2115 8.3441 8.3441 8.4849 8.4849 10.0205 10.0205 11.0718 11.0718 k =-0.3630 0.5792-0.0000 ( 891 PWs) bands (ev): -8.0474 -8.0474 -5.5103 -5.5103 -4.2393 -4.2393 -0.5142 -0.5142 1.5501 1.5501 2.2493 2.2493 2.8635 2.8635 3.8314 3.8314 5.7729 5.7729 6.1067 6.1067 8.3743 8.3743 8.4809 8.4809 9.9323 9.9323 10.9750 10.9750 k =-0.3573 0.5964-0.0000 ( 895 PWs) bands (ev): -7.9832 -7.9832 -5.4404 -5.4404 -4.3478 -4.3478 -0.6588 -0.6588 1.5559 1.5559 2.2817 2.2817 2.9209 2.9209 3.8469 3.8469 5.7055 5.7055 6.0011 6.0011 8.4005 8.4005 8.4879 8.4879 9.8380 9.8380 10.8712 10.8712 k =-0.3516 0.6136-0.0000 ( 883 PWs) bands (ev): -7.9166 -7.9166 -5.3673 -5.3673 -4.4582 -4.4582 -0.8041 -0.8041 1.5664 1.5664 2.3138 2.3138 2.9803 2.9803 3.8650 3.8650 5.6366 5.6366 5.8955 5.8955 8.4252 8.4252 8.5050 8.5050 9.7405 9.7405 10.7729 10.7729 k =-0.3459 0.6308-0.0000 ( 881 PWs) bands (ev): -7.8475 -7.8475 -5.2914 -5.2914 -4.5705 -4.5705 -0.9498 -0.9498 1.5806 1.5806 2.3442 2.3442 3.0411 3.0411 3.8849 3.8849 5.5673 5.5673 5.7900 5.7900 8.4489 8.4489 8.5266 8.5266 9.6408 9.6408 10.6815 10.6815 k =-0.3402 0.6481-0.0000 ( 883 PWs) bands (ev): -7.7760 -7.7760 -5.2130 -5.2130 -4.6840 -4.6840 -1.0955 -1.0955 1.5987 1.5987 2.3725 2.3725 3.1034 3.1034 3.9063 3.9063 5.4981 5.4981 5.6851 5.6851 8.4735 8.4735 8.5499 8.5499 9.5405 9.5405 10.5986 10.5986 k =-0.3345 0.6653-0.0000 ( 883 PWs) bands (ev): -7.7022 -7.7022 -5.1318 -5.1318 -4.7987 -4.7987 -1.2408 -1.2408 1.6202 1.6202 2.3988 2.3988 3.1671 3.1671 3.9290 3.9290 5.4301 5.4301 5.5815 5.5815 8.4985 8.4985 8.5744 8.5744 9.4416 9.4416 10.5260 10.5260 k =-0.3288 0.6825-0.0000 ( 883 PWs) bands (ev): -7.6260 -7.6260 -5.0482 -5.0482 -4.9138 -4.9138 -1.3855 -1.3855 1.6448 1.6448 2.4224 2.4224 3.2320 3.2320 3.9525 3.9525 5.3641 5.3641 5.4799 5.4799 8.5205 8.5205 8.6021 8.6021 9.3448 9.3448 10.4649 10.4649 k =-0.3231 0.6998-0.0000 ( 883 PWs) bands (ev): -7.5475 -7.5475 -5.0320 -5.0320 -4.9594 -4.9594 -1.5295 -1.5295 1.6721 1.6721 2.4427 2.4427 3.2980 3.2980 3.9762 3.9762 5.2999 5.2999 5.3818 5.3818 8.5344 8.5344 8.6364 8.6364 9.2512 9.2512 10.4165 10.4165 k =-0.3174 0.7170-0.0000 ( 883 PWs) bands (ev): -7.4667 -7.4667 -5.1476 -5.1476 -4.8709 -4.8709 -1.6724 -1.6724 1.7017 1.7017 2.4593 2.4593 3.3648 3.3648 3.9998 3.9998 5.2343 5.2343 5.2920 5.2920 8.5381 8.5381 8.6786 8.6786 9.1615 9.1615 10.3814 10.3814 k =-0.3117 0.7342-0.0000 ( 891 PWs) bands (ev): -7.3837 -7.3837 -5.2643 -5.2643 -4.7788 -4.7788 -1.8143 -1.8143 1.7328 1.7328 2.4715 2.4715 3.4323 3.4323 4.0228 4.0228 5.1579 5.1579 5.2211 5.2211 8.5316 8.5316 8.7272 8.7272 9.0762 9.0762 10.3598 10.3598 k =-0.3060 0.7515-0.0000 ( 895 PWs) bands (ev): -7.2985 -7.2985 -5.3809 -5.3809 -4.6839 -4.6839 -1.9548 -1.9548 1.7656 1.7656 2.4790 2.4790 3.5003 3.5003 4.0448 4.0448 5.0709 5.0709 5.1696 5.1696 8.5166 8.5166 8.7808 8.7808 8.9970 8.9970 10.3511 10.3511 k =-0.3003 0.7687-0.0000 ( 901 PWs) bands (ev): -7.2111 -7.2111 -5.4972 -5.4972 -4.5863 -4.5863 -2.0938 -2.0938 1.7990 1.7990 2.4814 2.4814 3.5685 3.5685 4.0654 4.0654 4.9834 4.9834 5.1300 5.1300 8.4940 8.4940 8.8354 8.8354 8.9277 8.9277 10.3514 10.3514 k =-0.2945 0.7859-0.0000 ( 901 PWs) bands (ev): -7.1216 -7.1216 -5.6131 -5.6131 -4.4859 -4.4859 -2.2310 -2.2310 1.8328 1.8328 2.4784 2.4784 3.6368 3.6368 4.0842 4.0842 4.8985 4.8985 5.0997 5.0997 8.4654 8.4654 8.8411 8.8411 8.9179 8.9179 10.3416 10.3416 k =-0.2888 0.8032-0.0000 ( 901 PWs) bands (ev): -7.0300 -7.0300 -5.7283 -5.7283 -4.3829 -4.3829 -2.3666 -2.3666 1.8663 1.8663 2.4698 2.4698 3.7046 3.7046 4.1008 4.1008 4.8176 4.8176 5.0780 5.0780 8.4323 8.4323 8.7871 8.7871 8.9783 8.9783 10.2547 10.2547 k =-0.2831 0.8204-0.0000 ( 897 PWs) bands (ev): -6.9365 -6.9365 -5.8427 -5.8427 -4.2772 -4.2772 -2.5002 -2.5002 1.8988 1.8988 2.4555 2.4555 3.7718 3.7718 4.1147 4.1147 4.7416 4.7416 5.0650 5.0650 8.3962 8.3962 8.7353 8.7353 9.0472 9.0472 10.1351 10.1351 k =-0.2774 0.8376-0.0000 ( 897 PWs) bands (ev): -6.8410 -6.8410 -5.9562 -5.9562 -4.1689 -4.1689 -2.6320 -2.6320 1.9295 1.9295 2.4357 2.4357 3.8380 3.8380 4.1257 4.1257 4.6714 4.6714 5.0605 5.0605 8.3586 8.3586 8.6906 8.6906 9.1197 9.1197 10.0129 10.0129 k =-0.2774 0.8376-0.0000 ( 897 PWs) bands (ev): -6.8410 -6.8410 -5.9562 -5.9562 -4.1689 -4.1689 -2.6320 -2.6320 1.9295 1.9295 2.4357 2.4357 3.8380 3.8380 4.1257 4.1257 4.6714 4.6714 5.0605 5.0605 8.3586 8.3586 8.6906 8.6906 9.1197 9.1197 10.0129 10.0129 k =-0.2774 0.8376 0.0180 ( 901 PWs) bands (ev): -6.8402 -6.8402 -5.9559 -5.9559 -4.1686 -4.1686 -2.6329 -2.6329 1.9249 1.9249 2.4343 2.4343 3.8365 3.8365 4.1131 4.1131 4.6771 4.6771 5.0707 5.0707 8.3510 8.3510 8.6887 8.6887 9.1325 9.1325 10.0172 10.0172 k =-0.2774 0.8376 0.0360 ( 901 PWs) bands (ev): -6.8378 -6.8378 -5.9550 -5.9550 -4.1678 -4.1678 -2.6354 -2.6354 1.9110 1.9110 2.4306 2.4306 3.8321 3.8321 4.0772 4.0772 4.6942 4.6942 5.0994 5.0994 8.3293 8.3293 8.6854 8.6854 9.1693 9.1693 10.0294 10.0294 k =-0.2774 0.8376 0.0541 ( 899 PWs) bands (ev): -6.8340 -6.8340 -5.9534 -5.9534 -4.1664 -4.1664 -2.6398 -2.6398 1.8887 1.8887 2.4246 2.4246 3.8250 3.8250 4.0220 4.0220 4.7223 4.7223 5.1423 5.1423 8.2957 8.2957 8.6841 8.6841 9.2271 9.2271 10.0478 10.0478 k =-0.2774 0.8376 0.0721 ( 904 PWs) bands (ev): -6.8286 -6.8286 -5.9514 -5.9514 -4.1644 -4.1644 -2.6458 -2.6458 1.8583 1.8583 2.4160 2.4160 3.8145 3.8145 3.9530 3.9530 4.7601 4.7601 5.1940 5.1940 8.2533 8.2533 8.6882 8.6882 9.3006 9.3006 10.0690 10.0690 k =-0.2774 0.8376 0.0901 ( 906 PWs) bands (ev): -6.8216 -6.8216 -5.9487 -5.9487 -4.1619 -4.1619 -2.6536 -2.6536 1.8211 1.8211 2.4055 2.4055 3.7972 3.7972 3.8782 3.8782 4.8060 4.8060 5.2504 5.2504 8.2055 8.2055 8.7007 8.7007 9.3871 9.3871 10.0920 10.0920 k =-0.2774 0.8376 0.1081 ( 906 PWs) bands (ev): -6.8131 -6.8131 -5.9456 -5.9456 -4.1588 -4.1588 -2.6630 -2.6630 1.7781 1.7781 2.3931 2.3931 3.7515 3.7515 3.8228 3.8228 4.8583 4.8583 5.3082 5.3082 8.1561 8.1561 8.7239 8.7239 9.4846 9.4846 10.1157 10.1157 k =-0.2774 0.8376 0.1261 ( 906 PWs) bands (ev): -6.8032 -6.8032 -5.9420 -5.9420 -4.1552 -4.1552 -2.6742 -2.6742 1.7304 1.7304 2.3792 2.3792 3.6674 3.6674 3.7994 3.7994 4.9148 4.9148 5.3652 5.3652 8.1081 8.1081 8.7583 8.7583 9.5908 9.5908 10.1407 10.1407 k =-0.2774 0.8376 0.1441 ( 907 PWs) bands (ev): -6.7917 -6.7917 -5.9381 -5.9381 -4.1509 -4.1509 -2.6871 -2.6871 1.6789 1.6789 2.3641 2.3641 3.5711 3.5711 3.7834 3.7834 4.9734 4.9734 5.4197 5.4197 8.0642 8.0642 8.8050 8.8050 9.7036 9.7036 10.1666 10.1666 k =-0.2774 0.8376 0.1622 ( 907 PWs) bands (ev): -6.7788 -6.7788 -5.9339 -5.9339 -4.1460 -4.1460 -2.7018 -2.7018 1.6249 1.6249 2.3479 2.3479 3.4703 3.4703 3.7682 3.7682 5.0323 5.0323 5.4709 5.4709 8.0267 8.0267 8.8643 8.8643 9.8214 9.8214 10.1938 10.1938 k =-0.2774 0.8376 0.1802 ( 909 PWs) bands (ev): -6.7645 -6.7645 -5.9295 -5.9295 -4.1405 -4.1405 -2.7184 -2.7184 1.5694 1.5694 2.3311 2.3311 3.3673 3.3673 3.7523 3.7523 5.0895 5.0895 5.5180 5.5180 7.9979 7.9979 8.9359 8.9359 9.9416 9.9416 10.2225 10.2225 k =-0.2774 0.8376 0.1982 ( 909 PWs) bands (ev): -6.7487 -6.7487 -5.9249 -5.9249 -4.1342 -4.1342 -2.7367 -2.7367 1.5131 1.5131 2.3140 2.3140 3.2634 3.2634 3.7353 3.7353 5.1439 5.1439 5.5607 5.5607 7.9793 7.9793 9.0197 9.0197 10.0615 10.0615 10.2531 10.2531 k =-0.2774 0.8376 0.2162 ( 906 PWs) bands (ev): -6.7317 -6.7317 -5.9203 -5.9203 -4.1273 -4.1273 -2.7568 -2.7568 1.4569 1.4569 2.2969 2.2969 3.1591 3.1591 3.7168 3.7168 5.1943 5.1943 5.5990 5.5990 7.9727 7.9727 9.1152 9.1152 10.1767 10.1767 10.2859 10.2859 k =-0.2774 0.8376 0.2342 ( 904 PWs) bands (ev): -6.7132 -6.7132 -5.9159 -5.9159 -4.1196 -4.1196 -2.7787 -2.7787 1.4016 1.4016 2.2801 2.2801 3.0552 3.0552 3.6963 3.6963 5.2393 5.2393 5.6329 5.6329 7.9783 7.9783 9.2215 9.2215 10.2777 10.2777 10.3241 10.3241 k =-0.2774 0.8376 0.2522 ( 904 PWs) bands (ev): -6.6936 -6.6936 -5.9116 -5.9116 -4.1111 -4.1111 -2.8024 -2.8024 1.3478 1.3478 2.2637 2.2637 2.9524 2.9524 3.6735 3.6735 5.2787 5.2787 5.6626 5.6626 7.9968 7.9968 9.3377 9.3377 10.3432 10.3432 10.3802 10.3802 k =-0.2774 0.8376 0.2703 ( 904 PWs) bands (ev): -6.6728 -6.6728 -5.9077 -5.9077 -4.1019 -4.1019 -2.8279 -2.8279 1.2959 1.2959 2.2479 2.2479 2.8510 2.8510 3.6483 3.6483 5.3123 5.3123 5.6882 5.6882 8.0281 8.0281 9.4628 9.4628 10.3835 10.3835 10.4353 10.4353 k =-0.2774 0.8376 0.2883 ( 904 PWs) bands (ev): -6.6508 -6.6508 -5.9043 -5.9043 -4.0917 -4.0917 -2.8551 -2.8551 1.2467 1.2467 2.2326 2.2326 2.7520 2.7520 3.6204 3.6204 5.3403 5.3403 5.7100 5.7100 8.0717 8.0717 9.5955 9.5955 10.4153 10.4153 10.4689 10.4689 k =-0.2774 0.8376 0.3063 ( 906 PWs) bands (ev): -6.6277 -6.6277 -5.9016 -5.9016 -4.0806 -4.0806 -2.8840 -2.8840 1.2002 1.2002 2.2173 2.2173 2.6562 2.6562 3.5897 3.5897 5.3634 5.3634 5.7283 5.7283 8.1267 8.1267 9.7345 9.7345 10.4253 10.4253 10.4992 10.4992 k =-0.2774 0.8376 0.3243 ( 903 PWs) bands (ev): -6.6036 -6.6036 -5.8996 -5.8996 -4.0684 -4.0684 -2.9144 -2.9144 1.1572 1.1572 2.2009 2.2009 2.5654 2.5654 3.5563 3.5563 5.3823 5.3823 5.7434 5.7434 8.1918 8.1918 9.8766 9.8766 10.4095 10.4095 10.5405 10.5405 k =-0.2774 0.8376 0.3423 ( 905 PWs) bands (ev): -6.5786 -6.5786 -5.8984 -5.8984 -4.0551 -4.0551 -2.9465 -2.9465 1.1179 1.1179 2.1811 2.1811 2.4822 2.4822 3.5197 3.5197 5.3977 5.3977 5.7555 5.7555 8.2652 8.2652 10.0153 10.0153 10.3854 10.3854 10.5889 10.5889 k =-0.2774 0.8376 0.3603 ( 907 PWs) bands (ev): -6.5527 -6.5527 -5.8984 -5.8984 -4.0407 -4.0407 -2.9800 -2.9800 1.0825 1.0825 2.1534 2.1534 2.4116 2.4116 3.4802 3.4802 5.4107 5.4107 5.7649 5.7649 8.3452 8.3452 10.1295 10.1295 10.3817 10.3817 10.6420 10.6420 k =-0.2774 0.8376 0.3784 ( 912 PWs) bands (ev): -6.5261 -6.5261 -5.8996 -5.8996 -4.0250 -4.0250 -3.0149 -3.0149 1.0511 1.0511 2.1120 2.1120 2.3597 2.3597 3.4380 3.4380 5.4220 5.4220 5.7718 5.7718 8.4301 8.4301 10.1694 10.1694 10.4510 10.4510 10.6996 10.6996 k =-0.2774 0.8376 0.3964 ( 912 PWs) bands (ev): -6.4987 -6.4987 -5.9019 -5.9019 -4.0079 -4.0079 -3.0511 -3.0511 1.0243 1.0243 2.0550 2.0550 2.3288 2.3288 3.3931 3.3931 5.4325 5.4325 5.7764 5.7764 8.5186 8.5186 10.1462 10.1462 10.5826 10.5826 10.7626 10.7626 k =-0.2774 0.8376 0.4144 ( 912 PWs) bands (ev): -6.4707 -6.4707 -5.9056 -5.9056 -3.9895 -3.9895 -3.0884 -3.0884 1.0021 1.0021 1.9864 1.9864 2.3151 2.3151 3.3459 3.3459 5.4426 5.4426 5.7789 5.7789 8.6087 8.6087 10.1031 10.1031 10.7296 10.7296 10.8352 10.8352 k =-0.2774 0.8376 0.4324 ( 912 PWs) bands (ev): -6.4421 -6.4421 -5.9110 -5.9110 -3.9695 -3.9695 -3.1268 -3.1268 0.9844 0.9844 1.9119 1.9119 2.3131 2.3131 3.2964 3.2964 5.4528 5.4528 5.7794 5.7794 8.6989 8.6989 10.0549 10.0549 10.8549 10.8549 10.9395 10.9395 k =-0.2774 0.8376 0.4504 ( 912 PWs) bands (ev): -6.4133 -6.4133 -5.9178 -5.9178 -3.9480 -3.9480 -3.1661 -3.1661 0.9716 0.9716 1.8354 1.8354 2.3190 2.3190 3.2453 3.2453 5.4635 5.4635 5.7780 5.7780 8.7879 8.7879 10.0051 10.0051 10.9423 10.9423 11.0864 11.0864 k =-0.2774 0.8376 0.4685 ( 912 PWs) bands (ev): -6.3841 -6.3841 -5.9263 -5.9263 -3.9250 -3.9250 -3.2060 -3.2060 0.9637 0.9637 1.7593 1.7593 2.3310 2.3310 3.1927 3.1927 5.4748 5.4748 5.7749 5.7749 8.8744 8.8744 9.9554 9.9554 11.0213 11.0213 11.2442 11.2442 k =-0.2774 0.8376 0.4865 ( 914 PWs) bands (ev): -6.3547 -6.3547 -5.9364 -5.9364 -3.9004 -3.9004 -3.2465 -3.2465 0.9606 0.9606 1.6846 1.6846 2.3480 2.3480 3.1390 3.1390 5.4869 5.4869 5.7702 5.7702 8.9575 8.9575 9.9066 9.9066 11.1006 11.1006 11.4003 11.4003 k =-0.2774 0.8376 0.5045 ( 916 PWs) bands (ev): -6.3252 -6.3252 -5.9483 -5.9483 -3.8743 -3.8743 -3.2875 -3.2875 0.9625 0.9625 1.6120 1.6120 2.3691 2.3691 3.0846 3.0846 5.4996 5.4996 5.7640 5.7640 9.0363 9.0363 9.8593 9.8593 11.1821 11.1821 11.5497 11.5497 k =-0.2774 0.8376 0.5225 ( 918 PWs) bands (ev): -6.2958 -6.2958 -5.9619 -5.9619 -3.8465 -3.8465 -3.3287 -3.3287 0.9693 0.9693 1.5422 1.5422 2.3942 2.3942 3.0298 3.0298 5.5129 5.5129 5.7566 5.7566 9.1104 9.1104 9.8135 9.8135 11.2658 11.2658 11.6878 11.6878 k =-0.2774 0.8376 0.5405 ( 916 PWs) bands (ev): -6.2666 -6.2666 -5.9772 -5.9772 -3.8171 -3.8171 -3.3700 -3.3700 0.9810 0.9810 1.4755 1.4755 2.4229 2.4229 2.9752 2.9752 5.5267 5.5267 5.7481 5.7481 9.1797 9.1797 9.7691 9.7691 11.3512 11.3512 11.8083 11.8083 k =-0.2774 0.8376 0.5585 ( 910 PWs) bands (ev): -6.2377 -6.2377 -5.9941 -5.9941 -3.7862 -3.7862 -3.4112 -3.4112 0.9976 0.9976 1.4121 1.4121 2.4550 2.4550 2.9209 2.9209 5.5404 5.5404 5.7390 5.7390 9.2441 9.2441 9.7263 9.7263 11.4380 11.4380 11.9026 11.9026 k =-0.2774 0.8376 0.5766 ( 910 PWs) bands (ev): -6.2093 -6.2093 -6.0126 -6.0126 -3.7538 -3.7538 -3.4522 -3.4522 1.0189 1.0189 1.3522 1.3522 2.4901 2.4901 2.8675 2.8675 5.5537 5.5537 5.7295 5.7295 9.3034 9.3034 9.6844 9.6844 11.5247 11.5247 11.9602 11.9602 k =-0.2774 0.8376 0.5946 ( 910 PWs) bands (ev): -6.1816 -6.1816 -6.0326 -6.0326 -3.7200 -3.7200 -3.4928 -3.4928 1.0450 1.0450 1.2960 1.2960 2.5278 2.5278 2.8153 2.8153 5.5659 5.5659 5.7203 5.7203 9.3579 9.3579 9.6432 9.6432 11.6105 11.6105 11.9764 11.9764 k =-0.2774 0.8376 0.6126 ( 910 PWs) bands (ev): -6.1548 -6.1548 -6.0539 -6.0539 -3.6850 -3.6850 -3.5327 -3.5327 1.0757 1.0757 1.2437 1.2437 2.5675 2.5675 2.7651 2.7651 5.5761 5.5761 5.7122 5.7122 9.4076 9.4076 9.6030 9.6030 11.6937 11.6937 11.9561 11.9561 k =-0.2774 0.8376 0.6306 ( 906 PWs) bands (ev): -6.1293 -6.1293 -6.0758 -6.0758 -3.6488 -3.6488 -3.5717 -3.5717 1.1108 1.1108 1.1957 1.1957 2.6073 2.6073 2.7191 2.7191 5.5831 5.5831 5.7066 5.7066 9.4509 9.4509 9.5657 9.5657 11.7736 11.7736 11.9101 11.9101 k =-0.2774 0.8376 0.6486 ( 906 PWs) bands (ev): -6.1122 -6.1122 -6.0918 -6.0918 -3.6173 -3.6173 -3.6043 -3.6043 1.1443 1.1443 1.1579 1.1579 2.6321 2.6321 2.6922 2.6922 5.5856 5.5856 5.7046 5.7046 9.4739 9.4739 9.5446 9.5446 11.8416 11.8416 11.8523 11.8523 k =-0.2774 0.8376 0.6486 ( 906 PWs) bands (ev): -6.1122 -6.1122 -6.0918 -6.0918 -3.6173 -3.6173 -3.6043 -3.6043 1.1443 1.1443 1.1579 1.1579 2.6321 2.6321 2.6922 2.6922 5.5856 5.5856 5.7046 5.7046 9.4739 9.4739 9.5446 9.5446 11.8416 11.8416 11.8523 11.8523 k =-0.2831 0.8204 0.6486 ( 902 PWs) bands (ev): -6.1494 -6.1494 -6.1297 -6.1297 -3.5691 -3.5691 -3.5565 -3.5565 1.0761 1.0761 1.0890 1.0890 2.7346 2.7346 2.7959 2.7959 5.6308 5.6308 5.7517 5.7517 9.4315 9.4315 9.5050 9.5050 11.7747 11.7747 11.7813 11.7813 k =-0.2888 0.8032 0.6486 ( 914 PWs) bands (ev): -6.1920 -6.1920 -6.1730 -6.1730 -3.5136 -3.5136 -3.5015 -3.5015 1.0127 1.0127 1.0246 1.0246 2.8385 2.8385 2.9014 2.9014 5.6730 5.6730 5.7959 5.7959 9.3936 9.3936 9.4699 9.4699 11.7054 11.7054 11.7078 11.7078 k =-0.2945 0.7859 0.6486 ( 914 PWs) bands (ev): -6.2391 -6.2391 -6.2208 -6.2208 -3.4520 -3.4520 -3.4403 -3.4403 0.9545 0.9545 0.9654 0.9654 2.9439 2.9439 3.0084 3.0084 5.7122 5.7122 5.8369 5.8369 9.3609 9.3609 9.4400 9.4400 11.6354 11.6354 11.6374 11.6374 k =-0.3003 0.7687 0.6486 ( 910 PWs) bands (ev): -6.2897 -6.2897 -6.2723 -6.2723 -3.3852 -3.3852 -3.3739 -3.3739 0.9018 0.9018 0.9116 0.9116 3.0503 3.0503 3.1166 3.1166 5.7481 5.7481 5.8747 5.8747 9.3329 9.3329 9.4148 9.4148 11.5643 11.5643 11.5708 11.5708 k =-0.3060 0.7515 0.6486 ( 914 PWs) bands (ev): -6.3433 -6.3433 -6.3267 -6.3267 -3.3148 -3.3148 -3.3039 -3.3039 0.8552 0.8552 0.8638 0.8638 3.1575 3.1575 3.2258 3.2258 5.7808 5.7808 5.9090 5.9090 9.3090 9.3090 9.3936 9.3936 11.4941 11.4941 11.5054 11.5054 k =-0.3117 0.7342 0.6486 ( 914 PWs) bands (ev): -6.3989 -6.3989 -6.3830 -6.3830 -3.2416 -3.2416 -3.2311 -3.2311 0.8150 0.8150 0.8224 0.8224 3.2652 3.2652 3.3356 3.3356 5.8103 5.8103 5.9400 5.9400 9.2892 9.2892 9.3764 9.3764 11.4263 11.4263 11.4427 11.4427 k =-0.3174 0.7170 0.6486 ( 918 PWs) bands (ev): -6.4561 -6.4561 -6.4409 -6.4409 -3.1668 -3.1668 -3.1565 -3.1565 0.7817 0.7817 0.7878 0.7878 3.3731 3.3731 3.4457 3.4457 5.8366 5.8366 5.9676 5.9676 9.2726 9.2726 9.3623 9.3623 11.3602 11.3602 11.3820 11.3820 k =-0.3231 0.6998 0.6486 ( 918 PWs) bands (ev): -6.5141 -6.5141 -6.4997 -6.4997 -3.0915 -3.0915 -3.0814 -3.0814 0.7560 0.7560 0.7607 0.7607 3.4807 3.4807 3.5556 3.5556 5.8601 5.8601 5.9922 5.9922 9.2591 9.2591 9.3512 9.3512 11.2956 11.2956 11.3234 11.3234 k =-0.3288 0.6825 0.6486 ( 914 PWs) bands (ev): -6.5726 -6.5726 -6.5589 -6.5589 -3.0164 -3.0164 -3.0065 -3.0065 0.7383 0.7383 0.7416 0.7416 3.5879 3.5879 3.6652 3.6652 5.8809 5.8809 6.0139 6.0139 9.2480 9.2480 9.3422 9.3422 11.2321 11.2321 11.2663 11.2663 k =-0.3345 0.6653 0.6486 ( 910 PWs) bands (ev): -6.6311 -6.6311 -6.6181 -6.6181 -2.9426 -2.9426 -2.9327 -2.9327 0.7291 0.7291 0.7310 0.7310 3.6941 3.6941 3.7738 3.7738 5.8995 5.8995 6.0330 6.0330 9.2386 9.2386 9.3348 9.3348 11.1684 11.1684 11.2095 11.2095 k =-0.3402 0.6481 0.6486 ( 910 PWs) bands (ev): -6.6894 -6.6894 -6.6770 -6.6770 -2.8709 -2.8709 -2.8611 -2.8611 0.7289 0.7289 0.7294 0.7294 3.7988 3.7988 3.8808 3.8808 5.9162 5.9162 6.0498 6.0498 9.2298 9.2298 9.3278 9.3278 11.1023 11.1023 11.1508 11.1508 k =-0.3459 0.6308 0.6486 ( 906 PWs) bands (ev): -6.7470 -6.7470 -6.7352 -6.7352 -2.8021 -2.8021 -2.7923 -2.7923 0.7374 0.7374 0.7384 0.7384 3.9014 3.9014 3.9858 3.9858 5.9314 5.9314 6.0648 6.0648 9.2214 9.2214 9.3210 9.3210 11.0343 11.0343 11.0906 11.0906 k =-0.3516 0.6136 0.6486 ( 906 PWs) bands (ev): -6.8038 -6.8038 -6.7926 -6.7926 -2.7371 -2.7371 -2.7273 -2.7273 0.7554 0.7554 0.7578 0.7578 4.0016 4.0016 4.0881 4.0881 5.9457 5.9457 6.0783 6.0783 9.2129 9.2129 9.3136 9.3136 10.9619 10.9619 11.0261 11.0261 k =-0.3573 0.5964 0.6486 ( 906 PWs) bands (ev): -6.8595 -6.8595 -6.8489 -6.8489 -2.6763 -2.6763 -2.6665 -2.6665 0.7837 0.7837 0.7876 0.7876 4.0988 4.0988 4.1872 4.1872 5.9596 5.9596 6.0908 6.0908 9.2036 9.2036 9.3052 9.3052 10.8837 10.8837 10.9559 10.9559 k =-0.3630 0.5792 0.6486 ( 910 PWs) bands (ev): -6.9140 -6.9140 -6.9039 -6.9039 -2.6203 -2.6203 -2.6105 -2.6105 0.8225 0.8225 0.8279 0.8279 4.1923 4.1923 4.2822 4.2822 5.9736 5.9736 6.1026 6.1026 9.1932 9.1932 9.2952 9.2952 10.7979 10.7979 10.8779 10.8779 k =-0.3687 0.5619 0.6486 ( 912 PWs) bands (ev): -6.9670 -6.9670 -6.9575 -6.9575 -2.5694 -2.5694 -2.5596 -2.5596 0.8722 0.8722 0.8789 0.8789 4.2817 4.2817 4.3726 4.3726 5.9880 5.9880 6.1140 6.1140 9.1812 9.1812 9.2833 9.2833 10.7043 10.7043 10.7914 10.7914 k =-0.3744 0.5447 0.6486 ( 912 PWs) bands (ev): -7.0184 -7.0184 -7.0094 -7.0094 -2.5237 -2.5237 -2.5139 -2.5139 0.9326 0.9326 0.9407 0.9407 4.3661 4.3661 4.4574 4.4574 6.0034 6.0034 6.1254 6.1254 9.1677 9.1677 9.2691 9.2691 10.6032 10.6032 10.6966 10.6966 k =-0.3802 0.5275 0.6486 ( 912 PWs) bands (ev): -7.0681 -7.0681 -7.0596 -7.0596 -2.4833 -2.4833 -2.4735 -2.4735 1.0037 1.0037 1.0131 1.0131 4.4452 4.4452 4.5361 4.5361 6.0199 6.0199 6.1366 6.1366 9.1520 9.1520 9.2521 9.2521 10.4949 10.4949 10.5935 10.5935 k =-0.3859 0.5102 0.6486 ( 916 PWs) bands (ev): -7.1161 -7.1161 -7.1080 -7.1080 -2.4482 -2.4482 -2.4385 -2.4385 1.0851 1.0851 1.0957 1.0957 4.5185 4.5185 4.6081 4.6081 6.0374 6.0374 6.1475 6.1475 9.1337 9.1337 9.2313 9.2313 10.3811 10.3811 10.4835 10.4835 k =-0.3916 0.4930 0.6486 ( 914 PWs) bands (ev): -7.1620 -7.1620 -7.1544 -7.1544 -2.4180 -2.4180 -2.4084 -2.4084 1.1766 1.1766 1.1885 1.1885 4.5855 4.5855 4.6729 4.6729 6.0556 6.0556 6.1576 6.1576 9.1125 9.1125 9.2060 9.2060 10.2650 10.2650 10.3690 10.3690 k =-0.3973 0.4758 0.6486 ( 914 PWs) bands (ev): -7.2060 -7.2060 -7.1989 -7.1989 -2.3926 -2.3926 -2.3832 -2.3832 1.2775 1.2775 1.2905 1.2905 4.6461 4.6461 4.7303 4.7303 6.0738 6.0738 6.1663 6.1663 9.0875 9.0875 9.1748 9.1748 10.1503 10.1503 10.2536 10.2536 k =-0.4030 0.4585 0.6486 ( 914 PWs) bands (ev): -7.2479 -7.2479 -7.2412 -7.2412 -2.3716 -2.3716 -2.3625 -2.3625 1.3872 1.3872 1.4012 1.4012 4.7002 4.7002 4.7803 4.7803 6.0909 6.0909 6.1725 6.1725 9.0578 9.0578 9.1358 9.1358 10.0417 10.0417 10.1410 10.1410 k =-0.4087 0.4413 0.6486 ( 910 PWs) bands (ev): -7.2876 -7.2876 -7.2814 -7.2814 -2.3544 -2.3544 -2.3457 -2.3457 1.5052 1.5052 1.5202 1.5202 4.7480 4.7480 4.8231 4.8231 6.1054 6.1054 6.1747 6.1747 9.0224 9.0224 9.0875 9.0875 9.9444 9.9444 10.0362 10.0362 k =-0.4144 0.4241 0.6486 ( 906 PWs) bands (ev): -7.3251 -7.3251 -7.3194 -7.3194 -2.3408 -2.3408 -2.3324 -2.3324 1.6308 1.6308 1.6467 1.6467 4.7895 4.7895 4.8591 4.8591 6.1154 6.1154 6.1715 6.1715 8.9802 8.9802 9.0286 9.0286 9.8630 9.8630 9.9435 9.9435 k =-0.4201 0.4068 0.6486 ( 902 PWs) bands (ev): -7.3605 -7.3605 -7.3551 -7.3551 -2.3303 -2.3303 -2.3223 -2.3223 1.7629 1.7629 1.7796 1.7796 4.8253 4.8253 4.8888 4.8888 6.1186 6.1186 6.1610 6.1610 8.9306 8.9306 8.9595 8.9595 9.7997 9.7997 9.8661 9.8661 k =-0.4258 0.3896 0.6486 ( 902 PWs) bands (ev): -7.3935 -7.3935 -7.3885 -7.3885 -2.3225 -2.3225 -2.3150 -2.3150 1.9005 1.9005 1.9180 1.9180 4.8556 4.8556 4.9127 4.9127 6.1126 6.1126 6.1409 6.1409 8.8744 8.8744 8.8829 8.8829 9.7553 9.7553 9.8064 9.8064 k =-0.4315 0.3724 0.6486 ( 902 PWs) bands (ev): -7.4242 -7.4242 -7.4196 -7.4196 -2.3168 -2.3168 -2.3097 -2.3097 2.0432 2.0432 2.0613 2.0613 4.8811 4.8811 4.9317 4.9317 6.0953 6.0953 6.1100 6.1100 8.8030 8.8030 8.8137 8.8137 9.7293 9.7293 9.7660 9.7660 k =-0.4372 0.3551 0.6486 ( 900 PWs) bands (ev): -7.4525 -7.4525 -7.4484 -7.4484 -2.3129 -2.3129 -2.3063 -2.3063 2.1900 2.1900 2.2087 2.2087 4.9024 4.9024 4.9464 4.9464 6.0650 6.0650 6.0669 6.0669 8.7247 8.7247 8.7514 8.7514 9.7194 9.7194 9.7439 9.7439 k =-0.4429 0.3379 0.6486 ( 908 PWs) bands (ev): -7.4785 -7.4785 -7.4747 -7.4747 -2.3104 -2.3104 -2.3044 -2.3044 2.3393 2.3393 2.3584 2.3584 4.9200 4.9200 4.9575 4.9575 6.0108 6.0108 6.0203 6.0203 8.6511 8.6511 8.6899 8.6899 9.7223 9.7223 9.7373 9.7373 k =-0.4486 0.3207 0.6486 ( 908 PWs) bands (ev): -7.5020 -7.5020 -7.4987 -7.4987 -2.3091 -2.3091 -2.3036 -2.3036 2.4903 2.4903 2.5098 2.5098 4.9343 4.9343 4.9654 4.9654 5.9420 5.9420 5.9612 5.9612 8.5864 8.5864 8.6330 8.6330 9.7378 9.7378 9.7461 9.7461 k =-0.4543 0.3035 0.6486 ( 904 PWs) bands (ev): -7.5231 -7.5231 -7.5201 -7.5201 -2.3085 -2.3085 -2.3036 -2.3036 2.6417 2.6417 2.6613 2.6613 4.9460 4.9460 4.9709 4.9709 5.8617 5.8617 5.8885 5.8885 8.5317 8.5317 8.5822 8.5822 9.7636 9.7636 9.7675 9.7675 k =-0.4601 0.2862 0.6486 ( 900 PWs) bands (ev): -7.5417 -7.5417 -7.5391 -7.5391 -2.3085 -2.3085 -2.3042 -2.3042 2.7912 2.7912 2.8107 2.8107 4.9555 4.9555 4.9744 4.9744 5.7719 5.7719 5.8043 5.8043 8.4872 8.4872 8.5380 8.5380 9.7990 9.7990 9.8003 9.8003 k =-0.4658 0.2690 0.6486 ( 900 PWs) bands (ev): -7.5578 -7.5578 -7.5556 -7.5556 -2.3089 -2.3089 -2.3052 -2.3052 2.9367 2.9367 2.9557 2.9557 4.9628 4.9628 4.9758 4.9758 5.6759 5.6759 5.7117 5.7117 8.4525 8.4525 8.5007 8.5007 9.8414 9.8414 9.8415 9.8415 k =-0.4715 0.2518 0.6486 ( 896 PWs) bands (ev): -7.5715 -7.5715 -7.5696 -7.5696 -2.3095 -2.3095 -2.3064 -2.3064 3.0758 3.0758 3.0938 3.0938 4.9682 4.9682 4.9758 4.9758 5.5779 5.5779 5.6150 5.6150 8.4267 8.4267 8.4699 8.4699 9.8901 9.8901 9.8902 9.8902 k =-0.4772 0.2345 0.6486 ( 880 PWs) bands (ev): -7.5826 -7.5826 -7.5811 -7.5811 -2.3101 -2.3101 -2.3076 -2.3076 3.2041 3.2041 3.2204 3.2204 4.9720 4.9720 4.9747 4.9747 5.4838 5.4838 5.5199 5.5199 8.4087 8.4087 8.4451 8.4451 9.9444 9.9444 9.9447 9.9447 k =-0.4829 0.2173 0.6486 ( 880 PWs) bands (ev): -7.5913 -7.5913 -7.5901 -7.5901 -2.3106 -2.3106 -2.3088 -2.3088 3.3157 3.3157 3.3294 3.3294 4.9723 4.9723 4.9735 4.9735 5.3998 5.3998 5.4322 5.4322 8.3971 8.3971 8.4254 8.4254 10.0007 10.0007 10.0018 10.0018 k =-0.4886 0.2001 0.6486 ( 880 PWs) bands (ev): -7.5974 -7.5974 -7.5967 -7.5967 -2.3110 -2.3110 -2.3098 -2.3098 3.4045 3.4045 3.4145 3.4145 4.9698 4.9698 4.9729 4.9729 5.3344 5.3344 5.3595 5.3595 8.3910 8.3910 8.4103 8.4103 10.0558 10.0558 10.0576 10.0576 k =-0.4943 0.1828 0.6486 ( 880 PWs) bands (ev): -7.6010 -7.6010 -7.6006 -7.6006 -2.3112 -2.3112 -2.3105 -2.3105 3.4632 3.4632 3.4685 3.4685 4.9681 4.9681 4.9707 4.9707 5.2949 5.2949 5.3089 5.3089 8.3897 8.3897 8.3995 8.3995 10.1017 10.1017 10.1033 10.1033 k =-0.5000 0.1656 0.6486 ( 880 PWs) bands (ev): -7.6021 -7.6021 -7.6021 -7.6021 -2.3110 -2.3110 -2.3110 -2.3110 3.4854 3.4854 3.4854 3.4854 4.9685 4.9685 4.9685 4.9685 5.2863 5.2863 5.2863 5.2863 8.3926 8.3926 8.3926 8.3926 10.1220 10.1220 10.1220 10.1220 k =-0.5000 0.1656 0.6486 ( 880 PWs) bands (ev): -7.6021 -7.6021 -7.6021 -7.6021 -2.3110 -2.3110 -2.3110 -2.3110 3.4854 3.4854 3.4854 3.4854 4.9685 4.9685 4.9685 4.9685 5.2863 5.2863 5.2863 5.2863 8.3926 8.3926 8.3926 8.3926 10.1220 10.1220 10.1220 10.1220 k =-0.5000 0.1656 0.6306 ( 880 PWs) bands (ev): -7.6595 -7.6595 -7.5443 -7.5443 -2.3810 -2.3810 -2.2377 -2.2377 3.4336 3.4336 3.5373 3.5373 4.8852 4.8852 5.0510 5.0510 5.1695 5.1695 5.4042 5.4042 8.3834 8.3834 8.3934 8.3934 10.0739 10.0739 10.1734 10.1734 k =-0.5000 0.1656 0.6126 ( 880 PWs) bands (ev): -7.7165 -7.7165 -7.4863 -7.4863 -2.4477 -2.4477 -2.1613 -2.1613 3.3819 3.3819 3.5890 3.5890 4.8022 4.8022 5.0463 5.0463 5.1402 5.1402 5.5222 5.5222 8.3659 8.3659 8.3860 8.3860 10.0284 10.0284 10.2289 10.2289 k =-0.5000 0.1656 0.5946 ( 880 PWs) bands (ev): -7.7729 -7.7729 -7.4282 -7.4282 -2.5110 -2.5110 -2.0818 -2.0818 3.3304 3.3304 3.6405 3.6405 4.7194 4.7194 4.9303 4.9303 5.2227 5.2227 5.6400 5.6400 8.3401 8.3401 8.3709 8.3709 9.9844 9.9844 10.2205 10.2205 k =-0.5000 0.1656 0.5766 ( 884 PWs) bands (ev): -7.8285 -7.8285 -7.3702 -7.3702 -2.5708 -2.5708 -1.9993 -1.9993 3.2789 3.2789 3.6914 3.6914 4.6369 4.6369 4.8128 4.8128 5.3071 5.3071 5.7574 5.7574 8.3065 8.3065 8.3486 8.3486 9.9407 9.9407 10.1691 10.1691 k =-0.5000 0.1656 0.5585 ( 888 PWs) bands (ev): -7.8833 -7.8833 -7.3124 -7.3124 -2.6269 -2.6269 -1.9140 -1.9140 3.2279 3.2279 3.7416 3.7416 4.5547 4.5547 4.6955 4.6955 5.3919 5.3919 5.8743 5.8743 8.2656 8.2656 8.3204 8.3204 9.8962 9.8962 10.1219 10.1219 k =-0.5000 0.1656 0.5405 ( 896 PWs) bands (ev): -7.9372 -7.9372 -7.2552 -7.2552 -2.6795 -2.6795 -1.8260 -1.8260 3.1774 3.1774 3.7912 3.7912 4.4725 4.4725 4.5785 4.5785 5.4769 5.4769 5.9904 5.9904 8.2180 8.2180 8.2866 8.2866 9.8494 9.8494 10.0791 10.0791 k =-0.5000 0.1656 0.5225 ( 904 PWs) bands (ev): -7.9901 -7.9901 -7.1984 -7.1984 -2.7283 -2.7283 -1.7352 -1.7352 3.1278 3.1278 3.8394 3.8394 4.3907 4.3907 4.4623 4.4623 5.5621 5.5621 6.1055 6.1055 8.1644 8.1644 8.2487 8.2487 9.8007 9.8007 10.0407 10.0407 k =-0.5000 0.1656 0.5045 ( 908 PWs) bands (ev): -8.0418 -8.0418 -7.1424 -7.1424 -2.7731 -2.7731 -1.6417 -1.6417 3.0794 3.0794 3.8865 3.8865 4.3094 4.3094 4.3469 4.3469 5.6473 5.6473 6.2193 6.2193 8.1058 8.1058 8.2075 8.2075 9.7491 9.7491 10.0069 10.0069 k =-0.5000 0.1656 0.4865 ( 908 PWs) bands (ev): -8.0924 -8.0924 -7.0873 -7.0873 -2.8141 -2.8141 -1.5457 -1.5457 3.0319 3.0319 3.9312 3.9312 4.2277 4.2277 4.2343 4.2343 5.7325 5.7325 6.3315 6.3315 8.0430 8.0430 8.1637 8.1637 9.6942 9.6942 9.9776 9.9776 k =-0.5000 0.1656 0.4685 ( 902 PWs) bands (ev): -8.1416 -8.1416 -7.0332 -7.0332 -2.8510 -2.8510 -1.4472 -1.4472 2.9854 2.9854 3.9701 3.9701 4.1217 4.1217 4.1514 4.1514 5.8177 5.8177 6.4415 6.4415 7.9775 7.9775 8.1186 8.1186 9.6357 9.6357 9.9528 9.9528 k =-0.5000 0.1656 0.4504 ( 898 PWs) bands (ev): -8.1894 -8.1894 -6.9804 -6.9804 -2.8840 -2.8840 -1.3464 -1.3464 2.9405 2.9405 3.9724 3.9724 4.0327 4.0327 4.0879 4.0879 5.9025 5.9025 6.5485 6.5485 7.9099 7.9099 8.0720 8.0720 9.5738 9.5738 9.9324 9.9324 k =-0.5000 0.1656 0.4324 ( 894 PWs) bands (ev): -8.2359 -8.2359 -6.9291 -6.9291 -2.9129 -2.9129 -1.2433 -1.2433 2.8962 2.8962 3.8814 3.8814 3.9699 3.9699 4.0910 4.0910 5.9872 5.9872 6.6513 6.6513 7.8426 7.8426 8.0245 8.0245 9.5085 9.5085 9.9167 9.9167 k =-0.5000 0.1656 0.4144 ( 902 PWs) bands (ev): -8.2810 -8.2810 -6.8794 -6.8794 -2.9379 -2.9379 -1.1381 -1.1381 2.8531 2.8531 3.7734 3.7734 3.8920 3.8920 4.1249 4.1249 6.0713 6.0713 6.7477 6.7477 7.7772 7.7772 7.9767 7.9767 9.4397 9.4397 9.9040 9.9040 k =-0.5000 0.1656 0.3964 ( 902 PWs) bands (ev): -8.3245 -8.3245 -6.8315 -6.8315 -2.9589 -2.9589 -1.0308 -1.0308 2.8112 2.8112 3.6648 3.6648 3.8108 3.8108 4.1624 4.1624 6.1548 6.1548 6.8358 6.8358 7.7173 7.7173 7.9292 7.9292 9.3689 9.3689 9.8965 9.8965 k =-0.5000 0.1656 0.3784 ( 902 PWs) bands (ev): -8.3663 -8.3663 -6.7855 -6.7855 -2.9759 -2.9759 -0.9216 -0.9216 2.7707 2.7707 3.5572 3.5572 3.7282 3.7282 4.1997 4.1997 6.2376 6.2376 6.9109 6.9109 7.6676 7.6676 7.8822 7.8822 9.2961 9.2961 9.8931 9.8931 k =-0.5000 0.1656 0.3603 ( 902 PWs) bands (ev): -8.4065 -8.4065 -6.7415 -6.7415 -2.9890 -2.9890 -0.8106 -0.8106 2.7316 2.7316 3.4512 3.4512 3.6446 3.6446 4.2357 4.2357 6.3196 6.3196 6.9668 6.9668 7.6349 7.6349 7.8362 7.8362 9.2218 9.2218 9.8936 9.8936 k =-0.5000 0.1656 0.3423 ( 902 PWs) bands (ev): -8.4449 -8.4449 -6.6997 -6.6997 -2.9983 -2.9983 -0.6978 -0.6978 2.6938 2.6938 3.3471 3.3471 3.5599 3.5599 4.2709 4.2709 6.4004 6.4004 6.9966 6.9966 7.6263 7.6263 7.7913 7.7913 9.1463 9.1463 9.8979 9.8979 k =-0.5000 0.1656 0.3243 ( 904 PWs) bands (ev): -8.4816 -8.4816 -6.6602 -6.6602 -3.0041 -3.0041 -0.5833 -0.5833 2.6574 2.6574 3.2453 3.2453 3.4741 3.4741 4.3037 4.3037 6.4798 6.4798 6.9974 6.9974 7.6447 7.6447 7.7483 7.7483 9.0701 9.0701 9.9057 9.9057 k =-0.5000 0.1656 0.3063 ( 904 PWs) bands (ev): -8.5166 -8.5166 -6.6229 -6.6229 -3.0064 -3.0064 -0.4673 -0.4673 2.6223 2.6223 3.1464 3.1464 3.3871 3.3871 4.3346 4.3346 6.5570 6.5570 6.9737 6.9737 7.6825 7.6825 7.7116 7.7116 8.9939 8.9939 9.9167 9.9167 k =-0.5000 0.1656 0.2883 ( 904 PWs) bands (ev): -8.5498 -8.5498 -6.5882 -6.5882 -3.0055 -3.0055 -0.3499 -0.3499 2.5890 2.5890 3.0505 3.0505 3.2987 3.2987 4.3637 4.3637 6.6305 6.6305 6.9346 6.9346 7.6634 7.6634 7.7504 7.7504 8.9178 8.9178 9.9309 9.9309 k =-0.5000 0.1656 0.2703 ( 908 PWs) bands (ev): -8.5811 -8.5811 -6.5558 -6.5558 -3.0016 -3.0016 -0.2313 -0.2313 2.5565 2.5565 2.9581 2.9581 3.2088 3.2088 4.3901 4.3901 6.6955 6.6955 6.8922 6.8922 7.6264 7.6264 7.8179 7.8179 8.8423 8.8423 9.9474 9.9474 k =-0.5000 0.1656 0.2522 ( 904 PWs) bands (ev): -8.6105 -8.6105 -6.5258 -6.5258 -2.9951 -2.9951 -0.1113 -0.1113 2.5250 2.5250 2.8700 2.8700 3.1173 3.1173 4.4153 4.4153 6.7318 6.7318 6.8720 6.8720 7.5912 7.5912 7.8906 7.8906 8.7677 8.7677 9.9664 9.9664 k =-0.5000 0.1656 0.2342 ( 904 PWs) bands (ev): -8.6380 -8.6380 -6.4983 -6.4983 -2.9863 -2.9863 0.0095 0.0095 2.4943 2.4943 2.7866 2.7866 3.0242 3.0242 4.4386 4.4386 6.7114 6.7114 6.9045 6.9045 7.5585 7.5585 7.9638 7.9638 8.6942 8.6942 9.9871 9.9871 k =-0.5000 0.1656 0.2162 ( 902 PWs) bands (ev): -8.6635 -8.6635 -6.4732 -6.4732 -2.9756 -2.9756 0.1312 0.1312 2.4639 2.4639 2.7089 2.7089 2.9293 2.9293 4.4600 4.4600 6.6627 6.6627 6.9634 6.9634 7.5290 7.5290 8.0358 8.0358 8.6220 8.6220 10.0091 10.0091 k =-0.5000 0.1656 0.1982 ( 902 PWs) bands (ev): -8.6871 -8.6871 -6.4504 -6.4504 -2.9635 -2.9635 0.2535 0.2535 2.4328 2.4328 2.6381 2.6381 2.8325 2.8325 4.4795 4.4795 6.6083 6.6083 7.0268 7.0268 7.5032 7.5032 8.1048 8.1048 8.5515 8.5515 10.0321 10.0321 k =-0.5000 0.1656 0.1802 ( 902 PWs) bands (ev): -8.7087 -8.7087 -6.4300 -6.4300 -2.9501 -2.9501 0.3763 0.3763 2.3999 2.3999 2.5759 2.5759 2.7336 2.7336 4.4970 4.4970 6.5542 6.5542 7.0890 7.0890 7.4831 7.4831 8.1692 8.1692 8.4832 8.4832 10.0554 10.0554 k =-0.5000 0.1656 0.1622 ( 902 PWs) bands (ev): -8.7283 -8.7283 -6.4119 -6.4119 -2.9363 -2.9363 0.4995 0.4995 2.3641 2.3641 2.5233 2.5233 2.6335 2.6335 4.5128 4.5128 6.5026 6.5026 7.1465 7.1465 7.4691 7.4691 8.2263 8.2263 8.4189 8.4189 10.0787 10.0787 k =-0.5000 0.1656 0.1441 ( 898 PWs) bands (ev): -8.7459 -8.7459 -6.3957 -6.3957 -2.9223 -2.9223 0.6229 0.6229 2.3253 2.3253 2.4795 2.4795 2.5337 2.5337 4.5268 4.5268 6.4548 6.4548 7.1959 7.1959 7.4653 7.4653 8.2658 8.2658 8.3685 8.3685 10.1014 10.1014 k =-0.5000 0.1656 0.1261 ( 898 PWs) bands (ev): -8.7614 -8.7614 -6.3818 -6.3818 -2.9086 -2.9086 0.7460 0.7460 2.2848 2.2848 2.4166 2.4166 2.4607 2.4607 4.5390 4.5390 6.4113 6.4113 7.2328 7.2328 7.4755 7.4755 8.2499 8.2499 8.3691 8.3691 10.1229 10.1229 k =-0.5000 0.1656 0.1081 ( 898 PWs) bands (ev): -8.7749 -8.7749 -6.3699 -6.3699 -2.8958 -2.8958 0.8687 0.8687 2.2448 2.2448 2.3156 2.3156 2.4322 2.4322 4.5496 4.5496 6.3729 6.3729 7.2548 7.2548 7.5023 7.5023 8.1955 8.1955 8.4032 8.4032 10.1428 10.1428 k =-0.5000 0.1656 0.0901 ( 894 PWs) bands (ev): -8.7864 -8.7864 -6.3600 -6.3600 -2.8840 -2.8840 0.9905 0.9905 2.1990 2.1990 2.2185 2.2185 2.4132 2.4132 4.5584 4.5584 6.3398 6.3398 7.2648 7.2648 7.5435 7.5435 8.1347 8.1347 8.4387 8.4387 10.1609 10.1609 k =-0.5000 0.1656 0.0721 ( 902 PWs) bands (ev): -8.7958 -8.7958 -6.3520 -6.3520 -2.8742 -2.8742 1.1109 1.1109 2.0975 2.0975 2.1800 2.1800 2.3989 2.3989 4.5656 4.5656 6.3123 6.3123 7.2664 7.2664 7.5934 7.5934 8.0726 8.0726 8.4692 8.4692 10.1758 10.1758 k =-0.5000 0.1656 0.0541 ( 906 PWs) bands (ev): -8.8031 -8.8031 -6.3459 -6.3459 -2.8659 -2.8659 1.2285 1.2285 1.9896 1.9896 2.1544 2.1544 2.3883 2.3883 4.5708 4.5708 6.2907 6.2907 7.2652 7.2652 7.6484 7.6484 8.0106 8.0106 8.4936 8.4936 10.1880 10.1880 k =-0.5000 0.1656 0.0360 ( 904 PWs) bands (ev): -8.8083 -8.8083 -6.3415 -6.3415 -2.8598 -2.8598 1.3407 1.3407 1.8842 1.8842 2.1359 2.1359 2.3812 2.3812 4.5748 4.5748 6.2752 6.2752 7.2632 7.2632 7.7062 7.7062 7.9490 7.9490 8.5113 8.5113 10.1969 10.1969 k =-0.5000 0.1656 0.0180 ( 902 PWs) bands (ev): -8.8114 -8.8114 -6.3389 -6.3389 -2.8560 -2.8560 1.4382 1.4382 1.7908 1.7908 2.1247 2.1247 2.3770 2.3770 4.5771 4.5771 6.2659 6.2659 7.2616 7.2616 7.7653 7.7653 7.8883 7.8883 8.5222 8.5222 10.2024 10.2024 k =-0.5000 0.1656-0.0000 ( 902 PWs) bands (ev): -8.8124 -8.8124 -6.3380 -6.3380 -2.8548 -2.8548 1.4856 1.4856 1.7448 1.7448 2.1210 2.1210 2.3757 2.3757 4.5779 4.5779 6.2628 6.2628 7.2610 7.2610 7.8158 7.8158 7.8372 7.8372 8.5258 8.5258 10.2042 10.2042 k = 0.0000 0.0000 0.6486 ( 896 PWs) bands (ev): -7.6714 -7.6714 -7.6714 -7.6714 -1.7503 -1.7503 -1.7503 -1.7503 3.0371 3.0371 3.0371 3.0371 3.5358 3.5358 3.5358 3.5358 5.7482 5.7482 5.7482 5.7482 7.9813 7.9813 7.9813 7.9813 9.9804 9.9804 9.9804 9.9804 k =-0.0172 0.0057 0.6486 ( 896 PWs) bands (ev): -7.6712 -7.6712 -7.6712 -7.6712 -1.7522 -1.7522 -1.7522 -1.7522 3.0414 3.0414 3.0415 3.0415 3.5357 3.5357 3.5357 3.5357 5.7474 5.7474 5.7474 5.7474 7.9823 7.9823 7.9823 7.9823 9.9816 9.9816 9.9816 9.9816 k =-0.0345 0.0114 0.6486 ( 898 PWs) bands (ev): -7.6707 -7.6707 -7.6707 -7.6707 -1.7581 -1.7581 -1.7580 -1.7580 3.0545 3.0545 3.0545 3.0545 3.5354 3.5354 3.5354 3.5354 5.7458 5.7458 5.7458 5.7458 7.9855 7.9855 7.9856 7.9856 9.9849 9.9849 9.9849 9.9849 k =-0.0517 0.0171 0.6486 ( 898 PWs) bands (ev): -7.6697 -7.6697 -7.6697 -7.6697 -1.7675 -1.7675 -1.7675 -1.7675 3.0762 3.0762 3.0762 3.0762 3.5350 3.5350 3.5350 3.5350 5.7425 5.7425 5.7425 5.7425 7.9910 7.9910 7.9911 7.9911 9.9904 9.9904 9.9904 9.9904 k =-0.0690 0.0228 0.6486 ( 898 PWs) bands (ev): -7.6684 -7.6684 -7.6684 -7.6684 -1.7806 -1.7806 -1.7805 -1.7805 3.1063 3.1063 3.1063 3.1063 3.5345 3.5345 3.5345 3.5345 5.7380 5.7380 5.7380 5.7380 7.9986 7.9986 7.9987 7.9987 9.9979 9.9979 9.9979 9.9979 k =-0.0862 0.0286 0.6486 ( 898 PWs) bands (ev): -7.6667 -7.6667 -7.6667 -7.6667 -1.7969 -1.7969 -1.7969 -1.7969 3.1443 3.1443 3.1443 3.1443 3.5340 3.5340 3.5340 3.5340 5.7323 5.7323 5.7323 5.7323 8.0082 8.0082 8.0083 8.0083 10.0076 10.0076 10.0076 10.0076 k =-0.1034 0.0343 0.6486 ( 900 PWs) bands (ev): -7.6646 -7.6646 -7.6646 -7.6646 -1.8162 -1.8162 -1.8162 -1.8162 3.1899 3.1899 3.1899 3.1899 3.5336 3.5336 3.5336 3.5336 5.7253 5.7253 5.7253 5.7253 8.0197 8.0197 8.0198 8.0198 10.0191 10.0191 10.0192 10.0192 k =-0.1207 0.0400 0.6486 ( 900 PWs) bands (ev): -7.6621 -7.6621 -7.6621 -7.6621 -1.8383 -1.8383 -1.8383 -1.8383 3.2424 3.2424 3.2425 3.2425 3.5333 3.5333 3.5333 3.5333 5.7172 5.7172 5.7172 5.7172 8.0328 8.0328 8.0328 8.0328 10.0322 10.0322 10.0322 10.0322 k =-0.1379 0.0457 0.6486 ( 898 PWs) bands (ev): -7.6595 -7.6595 -7.6595 -7.6595 -1.8627 -1.8627 -1.8626 -1.8626 3.3009 3.3009 3.3009 3.3009 3.5339 3.5339 3.5339 3.5339 5.7083 5.7083 5.7083 5.7083 8.0478 8.0478 8.0478 8.0478 10.0474 10.0474 10.0474 10.0474 k =-0.1552 0.0514 0.6486 ( 900 PWs) bands (ev): -7.6566 -7.6566 -7.6566 -7.6566 -1.8890 -1.8890 -1.8890 -1.8890 3.3635 3.3635 3.3635 3.3635 3.5366 3.5366 3.5366 3.5366 5.6979 5.6979 5.6979 5.6979 8.0642 8.0642 8.0642 8.0642 10.0641 10.0641 10.0642 10.0642 k =-0.1724 0.0571 0.6486 ( 896 PWs) bands (ev): -7.6534 -7.6534 -7.6534 -7.6534 -1.9168 -1.9168 -1.9168 -1.9168 3.4260 3.4260 3.4260 3.4260 3.5456 3.5456 3.5456 3.5456 5.6866 5.6866 5.6867 5.6867 8.0820 8.0820 8.0821 8.0821 10.0824 10.0824 10.0824 10.0824 k =-0.1897 0.0628 0.6486 ( 892 PWs) bands (ev): -7.6500 -7.6500 -7.6500 -7.6500 -1.9459 -1.9459 -1.9459 -1.9459 3.4735 3.4735 3.4735 3.4735 3.5744 3.5744 3.5744 3.5744 5.6744 5.6744 5.6744 5.6744 8.1010 8.1010 8.1011 8.1011 10.1019 10.1019 10.1019 10.1019 k =-0.2069 0.0685 0.6486 ( 900 PWs) bands (ev): -7.6465 -7.6465 -7.6465 -7.6465 -1.9759 -1.9759 -1.9759 -1.9759 3.4936 3.4936 3.4936 3.4936 3.6349 3.6349 3.6349 3.6349 5.6609 5.6609 5.6609 5.6609 8.1204 8.1204 8.1205 8.1205 10.1216 10.1216 10.1216 10.1216 k =-0.2241 0.0742 0.6486 ( 900 PWs) bands (ev): -7.6429 -7.6429 -7.6429 -7.6429 -2.0062 -2.0062 -2.0062 -2.0062 3.4995 3.4995 3.4995 3.4995 3.7137 3.7137 3.7137 3.7137 5.6467 5.6467 5.6467 5.6467 8.1410 8.1410 8.1410 8.1410 10.1429 10.1429 10.1429 10.1429 k =-0.2414 0.0799 0.6486 ( 900 PWs) bands (ev): -7.6392 -7.6392 -7.6392 -7.6392 -2.0366 -2.0366 -2.0366 -2.0366 3.5009 3.5009 3.5009 3.5009 3.8004 3.8004 3.8004 3.8004 5.6315 5.6315 5.6315 5.6315 8.1621 8.1621 8.1622 8.1622 10.1648 10.1648 10.1648 10.1648 k =-0.2586 0.0857 0.6486 ( 900 PWs) bands (ev): -7.6355 -7.6355 -7.6354 -7.6354 -2.0666 -2.0666 -2.0666 -2.0666 3.5006 3.5006 3.5006 3.5006 3.8914 3.8914 3.8914 3.8914 5.6153 5.6153 5.6154 5.6154 8.1836 8.1836 8.1836 8.1836 10.1871 10.1871 10.1871 10.1871 k =-0.2759 0.0914 0.6486 ( 896 PWs) bands (ev): -7.6317 -7.6317 -7.6317 -7.6317 -2.0960 -2.0960 -2.0960 -2.0960 3.4999 3.4999 3.4999 3.4999 3.9853 3.9853 3.9853 3.9853 5.5981 5.5981 5.5981 5.5981 8.2053 8.2053 8.2053 8.2053 10.2098 10.2098 10.2098 10.2098 k =-0.2931 0.0971 0.6486 ( 888 PWs) bands (ev): -7.6280 -7.6280 -7.6280 -7.6280 -2.1244 -2.1244 -2.1244 -2.1244 3.4986 3.4986 3.4986 3.4986 4.0808 4.0808 4.0808 4.0808 5.5800 5.5800 5.5801 5.5801 8.2269 8.2269 8.2270 8.2270 10.2325 10.2325 10.2325 10.2325 k =-0.3103 0.1028 0.6486 ( 894 PWs) bands (ev): -7.6245 -7.6245 -7.6245 -7.6245 -2.1518 -2.1518 -2.1518 -2.1518 3.4969 3.4969 3.4970 3.4970 4.1770 4.1770 4.1770 4.1770 5.5603 5.5603 5.5603 5.5603 8.2480 8.2480 8.2481 8.2481 10.2542 10.2542 10.2542 10.2542 k =-0.3276 0.1085 0.6486 ( 898 PWs) bands (ev): -7.6210 -7.6210 -7.6210 -7.6210 -2.1775 -2.1775 -2.1775 -2.1775 3.4953 3.4953 3.4953 3.4953 4.2730 4.2730 4.2730 4.2730 5.5391 5.5391 5.5391 5.5391 8.2686 8.2686 8.2687 8.2687 10.2752 10.2752 10.2752 10.2752 k =-0.3448 0.1142 0.6486 ( 898 PWs) bands (ev): -7.6178 -7.6178 -7.6178 -7.6178 -2.2015 -2.2015 -2.2015 -2.2015 3.4936 3.4936 3.4936 3.4936 4.3681 4.3681 4.3681 4.3681 5.5165 5.5165 5.5165 5.5165 8.2886 8.2886 8.2887 8.2887 10.2951 10.2951 10.2951 10.2951 k =-0.3621 0.1199 0.6486 ( 896 PWs) bands (ev): -7.6147 -7.6147 -7.6147 -7.6147 -2.2235 -2.2235 -2.2234 -2.2234 3.4920 3.4920 3.4920 3.4920 4.4614 4.4614 4.4614 4.4614 5.4923 5.4923 5.4923 5.4923 8.3076 8.3076 8.3077 8.3077 10.3135 10.3135 10.3135 10.3135 k =-0.3793 0.1256 0.6486 ( 896 PWs) bands (ev): -7.6119 -7.6119 -7.6119 -7.6119 -2.2433 -2.2433 -2.2433 -2.2433 3.4905 3.4905 3.4905 3.4905 4.5517 4.5517 4.5518 4.5518 5.4661 5.4661 5.4662 5.4662 8.3254 8.3254 8.3255 8.3255 10.3297 10.3297 10.3297 10.3297 k =-0.3966 0.1313 0.6486 ( 896 PWs) bands (ev): -7.6094 -7.6094 -7.6094 -7.6094 -2.2609 -2.2609 -2.2609 -2.2609 3.4891 3.4891 3.4891 3.4891 4.6382 4.6382 4.6382 4.6382 5.4381 5.4381 5.4382 5.4382 8.3417 8.3417 8.3418 8.3418 10.3410 10.3410 10.3410 10.3410 k =-0.4138 0.1371 0.6486 ( 892 PWs) bands (ev): -7.6073 -7.6073 -7.6073 -7.6073 -2.2760 -2.2760 -2.2760 -2.2760 3.4882 3.4882 3.4882 3.4882 4.7198 4.7198 4.7198 4.7198 5.4084 5.4084 5.4085 5.4085 8.3563 8.3563 8.3563 8.3563 10.3181 10.3181 10.3181 10.3181 k =-0.4310 0.1428 0.6486 ( 892 PWs) bands (ev): -7.6055 -7.6055 -7.6055 -7.6055 -2.2885 -2.2885 -2.2885 -2.2885 3.4872 3.4872 3.4872 3.4872 4.7948 4.7948 4.7948 4.7948 5.3773 5.3773 5.3773 5.3773 8.3687 8.3687 8.3688 8.3688 10.2534 10.2534 10.2534 10.2534 k =-0.4483 0.1485 0.6486 ( 888 PWs) bands (ev): -7.6040 -7.6040 -7.6040 -7.6040 -2.2983 -2.2983 -2.2983 -2.2983 3.4864 3.4864 3.4864 3.4864 4.8616 4.8616 4.8616 4.8616 5.3460 5.3460 5.3460 5.3460 8.3788 8.3788 8.3789 8.3789 10.1969 10.1969 10.1969 10.1969 k =-0.4655 0.1542 0.6486 ( 884 PWs) bands (ev): -7.6030 -7.6030 -7.6030 -7.6030 -2.3054 -2.3054 -2.3054 -2.3054 3.4859 3.4859 3.4859 3.4859 4.9165 4.9165 4.9165 4.9165 5.3170 5.3170 5.3170 5.3170 8.3863 8.3863 8.3864 8.3864 10.1553 10.1553 10.1553 10.1553 k =-0.4828 0.1599 0.6486 ( 880 PWs) bands (ev): -7.6023 -7.6023 -7.6023 -7.6023 -2.3096 -2.3096 -2.3096 -2.3096 3.4856 3.4856 3.4856 3.4856 4.9546 4.9546 4.9546 4.9546 5.2949 5.2949 5.2949 5.2949 8.3910 8.3910 8.3911 8.3911 10.1305 10.1305 10.1305 10.1305 k =-0.5000 0.1656 0.6486 ( 880 PWs) bands (ev): -7.6021 -7.6021 -7.6021 -7.6021 -2.3110 -2.3110 -2.3110 -2.3110 3.4854 3.4854 3.4854 3.4854 4.9685 4.9685 4.9685 4.9685 5.2863 5.2863 5.2863 5.2863 8.3926 8.3926 8.3926 8.3926 10.1220 10.1220 10.1220 10.1220 Writing output data file As.save init_run : 0.03s CPU 0.17s WALL ( 1 calls) electrons : 35.60s CPU 36.78s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.00s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 35.60s CPU 36.77s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.00s CPU 0.00s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.01s WALL ( 422 calls) cegterg : 32.56s CPU 33.44s WALL ( 423 calls) Called by sum_band: Called by *egterg: h_psi : 14.81s CPU 15.34s WALL ( 6276 calls) s_psi : 0.35s CPU 0.37s WALL ( 6276 calls) g_psi : 0.02s CPU 0.03s WALL ( 5431 calls) cdiaghg : 16.99s CPU 17.24s WALL ( 5853 calls) cegterg:over : 1.04s CPU 1.12s WALL ( 5431 calls) cegterg:upda : 0.68s CPU 0.72s WALL ( 5431 calls) cegterg:last : 0.42s CPU 0.44s WALL ( 1267 calls) cdiaghg:chol : 0.86s CPU 0.87s WALL ( 5853 calls) cdiaghg:inve : 0.24s CPU 0.30s WALL ( 5853 calls) cdiaghg:para : 1.08s CPU 1.10s WALL ( 11706 calls) Called by h_psi: h_psi:vloc : 13.61s CPU 14.13s WALL ( 6276 calls) h_psi:vnl : 1.16s CPU 1.19s WALL ( 6276 calls) add_vuspsi : 0.45s CPU 0.49s WALL ( 6276 calls) General routines calbec : 0.70s CPU 0.69s WALL ( 6276 calls) fft : 0.00s CPU 0.00s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 12.88s CPU 13.28s WALL ( 444152 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.03s CPU 0.10s WALL ( 844 calls) Parallel routines fft_scatter : 7.71s CPU 8.05s WALL ( 444175 calls) PWSCF : 42.84s CPU 58.42s WALL This run was terminated on: 13:21:17 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=