Program PWSCF v.5.4.0 starts on 10Feb2017 at 23:19:27 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Be.save/ file Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 50 18 6 2256 504 86 Max 51 19 7 2263 521 92 Sum 1827 675 217 81405 18495 3191 bravais-lattice index = 14 lattice parameter (alat) = 4.0969 a.u. unit-cell volume = 187.6651 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 1 number of electrons = 16.00 number of Kohn-Sham states= 24 kinetic-energy cutoff = 81.0000 Ry charge density cutoff = 871.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 4.096926 celldm(2)= 1.575646 celldm(3)= 1.732011 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.575646 0.000000 ) a(3) = ( 0.000000 0.000000 1.732011 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.634660 -0.000000 ) b(3) = ( 0.000000 0.000000 0.577364 ) PseudoPot. # 1 for Be read from file: /users/gautes/Pseudo/Be.rel-pbe-s-rrkjus_psl.1.0.0.UPF MD5 check sum: 56f92c253d4d86db330921f37562b9e7 Pseudo is Ultrasoft, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1041 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 Be 4.00 9.01220 Be( 1.00) 4 Sym. Ops. (no inversion) found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.7878229 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.8660055 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.7878229 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.8660055 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group D_2 (222) there are 5 classes and 1 irreducible representations the character table: E -E C2 C2' C2'' -C2 -C2' -C2'' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 -C2 2 -2 180 deg rotation - cart. axis [0,0,1] C2' -C2' 3 -3 180 deg rotation - cart. axis [0,1,0] C2'' -C2'' 4 -4 180 deg rotation - cart. axis [1,0,0] Cartesian axes number of k points= 656 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0015244 k( 2) = ( 0.0068493 -0.0000000 -0.0000000), wk = 0.0015244 k( 3) = ( 0.0136986 -0.0000000 -0.0000000), wk = 0.0015244 k( 4) = ( 0.0205479 -0.0000000 -0.0000000), wk = 0.0015244 k( 5) = ( 0.0273973 -0.0000000 -0.0000000), wk = 0.0015244 k( 6) = ( 0.0342466 -0.0000000 -0.0000000), wk = 0.0015244 k( 7) = ( 0.0410959 -0.0000000 -0.0000000), wk = 0.0015244 k( 8) = ( 0.0479452 -0.0000000 -0.0000000), wk = 0.0015244 k( 9) = ( 0.0547945 -0.0000000 -0.0000000), wk = 0.0015244 k( 10) = ( 0.0616438 -0.0000000 -0.0000000), wk = 0.0015244 k( 11) = ( 0.0684932 -0.0000000 -0.0000000), wk = 0.0015244 k( 12) = ( 0.0753425 -0.0000000 -0.0000000), wk = 0.0015244 k( 13) = ( 0.0821918 -0.0000000 -0.0000000), wk = 0.0015244 k( 14) = ( 0.0890411 -0.0000000 -0.0000000), wk = 0.0015244 k( 15) = ( 0.0958904 -0.0000000 -0.0000000), wk = 0.0015244 k( 16) = ( 0.1027397 -0.0000000 -0.0000000), wk = 0.0015244 k( 17) = ( 0.1095890 -0.0000000 -0.0000000), wk = 0.0015244 k( 18) = ( 0.1164384 -0.0000000 -0.0000000), wk = 0.0015244 k( 19) = ( 0.1232877 -0.0000000 -0.0000000), wk = 0.0015244 k( 20) = ( 0.1301370 -0.0000000 -0.0000000), wk = 0.0015244 k( 21) = ( 0.1369863 -0.0000000 -0.0000000), wk = 0.0015244 k( 22) = ( 0.1438356 -0.0000000 -0.0000000), wk = 0.0015244 k( 23) = ( 0.1506849 -0.0000000 -0.0000000), wk = 0.0015244 k( 24) = ( 0.1575342 -0.0000000 -0.0000000), wk = 0.0015244 k( 25) = ( 0.1643836 -0.0000000 -0.0000000), wk = 0.0015244 k( 26) = ( 0.1712329 -0.0000000 -0.0000000), wk = 0.0015244 k( 27) = ( 0.1780822 -0.0000000 -0.0000000), wk = 0.0015244 k( 28) = ( 0.1849315 -0.0000000 -0.0000000), wk = 0.0015244 k( 29) = ( 0.1917808 -0.0000000 -0.0000000), wk = 0.0015244 k( 30) = ( 0.1986301 -0.0000000 -0.0000000), wk = 0.0015244 k( 31) = ( 0.2054795 -0.0000000 -0.0000000), wk = 0.0015244 k( 32) = ( 0.2123288 -0.0000000 -0.0000000), wk = 0.0015244 k( 33) = ( 0.2191781 -0.0000000 -0.0000000), wk = 0.0015244 k( 34) = ( 0.2260274 -0.0000000 -0.0000000), wk = 0.0015244 k( 35) = ( 0.2328767 -0.0000000 -0.0000000), wk = 0.0015244 k( 36) = ( 0.2397260 -0.0000000 -0.0000000), wk = 0.0015244 k( 37) = ( 0.2465753 -0.0000000 -0.0000000), wk = 0.0015244 k( 38) = ( 0.2534247 -0.0000000 -0.0000000), wk = 0.0015244 k( 39) = ( 0.2602740 -0.0000000 -0.0000000), wk = 0.0015244 k( 40) = ( 0.2671233 -0.0000000 -0.0000000), wk = 0.0015244 k( 41) = ( 0.2739726 -0.0000000 -0.0000000), wk = 0.0015244 k( 42) = ( 0.2808219 -0.0000000 -0.0000000), wk = 0.0015244 k( 43) = ( 0.2876712 -0.0000000 -0.0000000), wk = 0.0015244 k( 44) = ( 0.2945205 -0.0000000 -0.0000000), wk = 0.0015244 k( 45) = ( 0.3013699 -0.0000000 -0.0000000), wk = 0.0015244 k( 46) = ( 0.3082192 -0.0000000 -0.0000000), wk = 0.0015244 k( 47) = ( 0.3150685 -0.0000000 -0.0000000), wk = 0.0015244 k( 48) = ( 0.3219178 -0.0000000 -0.0000000), wk = 0.0015244 k( 49) = ( 0.3287671 -0.0000000 -0.0000000), wk = 0.0015244 k( 50) = ( 0.3356164 -0.0000000 -0.0000000), wk = 0.0015244 k( 51) = ( 0.3424658 -0.0000000 -0.0000000), wk = 0.0015244 k( 52) = ( 0.3493151 -0.0000000 -0.0000000), wk = 0.0015244 k( 53) = ( 0.3561644 -0.0000000 -0.0000000), wk = 0.0015244 k( 54) = ( 0.3630137 -0.0000000 -0.0000000), wk = 0.0015244 k( 55) = ( 0.3698630 -0.0000000 -0.0000000), wk = 0.0015244 k( 56) = ( 0.3767123 -0.0000000 -0.0000000), wk = 0.0015244 k( 57) = ( 0.3835616 -0.0000000 -0.0000000), wk = 0.0015244 k( 58) = ( 0.3904110 -0.0000000 -0.0000000), wk = 0.0015244 k( 59) = ( 0.3972603 -0.0000000 -0.0000000), wk = 0.0015244 k( 60) = ( 0.4041096 -0.0000000 -0.0000000), wk = 0.0015244 k( 61) = ( 0.4109589 -0.0000000 -0.0000000), wk = 0.0015244 k( 62) = ( 0.4178082 -0.0000000 -0.0000000), wk = 0.0015244 k( 63) = ( 0.4246575 -0.0000000 -0.0000000), wk = 0.0015244 k( 64) = ( 0.4315068 -0.0000000 -0.0000000), wk = 0.0015244 k( 65) = ( 0.4383562 -0.0000000 -0.0000000), wk = 0.0015244 k( 66) = ( 0.4452055 -0.0000000 -0.0000000), wk = 0.0015244 k( 67) = ( 0.4520548 -0.0000000 -0.0000000), wk = 0.0015244 k( 68) = ( 0.4589041 -0.0000000 -0.0000000), wk = 0.0015244 k( 69) = ( 0.4657534 -0.0000000 -0.0000000), wk = 0.0015244 k( 70) = ( 0.4726027 -0.0000000 -0.0000000), wk = 0.0015244 k( 71) = ( 0.4794521 -0.0000000 -0.0000000), wk = 0.0015244 k( 72) = ( 0.4863014 -0.0000000 -0.0000000), wk = 0.0015244 k( 73) = ( 0.4931507 -0.0000000 -0.0000000), wk = 0.0015244 k( 74) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0015244 k( 75) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0015244 k( 76) = ( 0.5000000 0.0068985 -0.0000000), wk = 0.0015244 k( 77) = ( 0.5000000 0.0137970 -0.0000000), wk = 0.0015244 k( 78) = ( 0.5000000 0.0206955 -0.0000000), wk = 0.0015244 k( 79) = ( 0.5000000 0.0275939 -0.0000000), wk = 0.0015244 k( 80) = ( 0.5000000 0.0344924 -0.0000000), wk = 0.0015244 k( 81) = ( 0.5000000 0.0413909 -0.0000000), wk = 0.0015244 k( 82) = ( 0.5000000 0.0482894 -0.0000000), wk = 0.0015244 k( 83) = ( 0.5000000 0.0551879 -0.0000000), wk = 0.0015244 k( 84) = ( 0.5000000 0.0620863 -0.0000000), wk = 0.0015244 k( 85) = ( 0.5000000 0.0689848 -0.0000000), wk = 0.0015244 k( 86) = ( 0.5000000 0.0758833 -0.0000000), wk = 0.0015244 k( 87) = ( 0.5000000 0.0827818 -0.0000000), wk = 0.0015244 k( 88) = ( 0.5000000 0.0896803 -0.0000000), wk = 0.0015244 k( 89) = ( 0.5000000 0.0965788 -0.0000000), wk = 0.0015244 k( 90) = ( 0.5000000 0.1034772 -0.0000000), wk = 0.0015244 k( 91) = ( 0.5000000 0.1103757 -0.0000000), wk = 0.0015244 k( 92) = ( 0.5000000 0.1172742 -0.0000000), wk = 0.0015244 k( 93) = ( 0.5000000 0.1241727 -0.0000000), wk = 0.0015244 k( 94) = ( 0.5000000 0.1310712 -0.0000000), wk = 0.0015244 k( 95) = ( 0.5000000 0.1379697 -0.0000000), wk = 0.0015244 k( 96) = ( 0.5000000 0.1448681 -0.0000000), wk = 0.0015244 k( 97) = ( 0.5000000 0.1517666 -0.0000000), wk = 0.0015244 k( 98) = ( 0.5000000 0.1586651 -0.0000000), wk = 0.0015244 k( 99) = ( 0.5000000 0.1655636 -0.0000000), wk = 0.0015244 k( 100) = ( 0.5000000 0.1724621 -0.0000000), wk = 0.0015244 k( 101) = ( 0.5000000 0.1793606 -0.0000000), wk = 0.0015244 k( 102) = ( 0.5000000 0.1862590 -0.0000000), wk = 0.0015244 k( 103) = ( 0.5000000 0.1931575 -0.0000000), wk = 0.0015244 k( 104) = ( 0.5000000 0.2000560 -0.0000000), wk = 0.0015244 k( 105) = ( 0.5000000 0.2069545 -0.0000000), wk = 0.0015244 k( 106) = ( 0.5000000 0.2138530 -0.0000000), wk = 0.0015244 k( 107) = ( 0.5000000 0.2207515 -0.0000000), wk = 0.0015244 k( 108) = ( 0.5000000 0.2276499 -0.0000000), wk = 0.0015244 k( 109) = ( 0.5000000 0.2345484 -0.0000000), wk = 0.0015244 k( 110) = ( 0.5000000 0.2414469 -0.0000000), wk = 0.0015244 k( 111) = ( 0.5000000 0.2483454 -0.0000000), wk = 0.0015244 k( 112) = ( 0.5000000 0.2552439 -0.0000000), wk = 0.0015244 k( 113) = ( 0.5000000 0.2621423 -0.0000000), wk = 0.0015244 k( 114) = ( 0.5000000 0.2690408 -0.0000000), wk = 0.0015244 k( 115) = ( 0.5000000 0.2759393 -0.0000000), wk = 0.0015244 k( 116) = ( 0.5000000 0.2828378 -0.0000000), wk = 0.0015244 k( 117) = ( 0.5000000 0.2897363 -0.0000000), wk = 0.0015244 k( 118) = ( 0.5000000 0.2966348 -0.0000000), wk = 0.0015244 k( 119) = ( 0.5000000 0.3035332 -0.0000000), wk = 0.0015244 k( 120) = ( 0.5000000 0.3104317 -0.0000000), wk = 0.0015244 k( 121) = ( 0.5000000 0.3173302 -0.0000000), wk = 0.0015244 k( 122) = ( 0.5000000 0.3173302 -0.0000000), wk = 0.0015244 k( 123) = ( 0.4931507 0.3173302 -0.0000000), wk = 0.0015244 k( 124) = ( 0.4863014 0.3173302 -0.0000000), wk = 0.0015244 k( 125) = ( 0.4794521 0.3173302 -0.0000000), wk = 0.0015244 k( 126) = ( 0.4726027 0.3173302 -0.0000000), wk = 0.0015244 k( 127) = ( 0.4657534 0.3173302 -0.0000000), wk = 0.0015244 k( 128) = ( 0.4589041 0.3173302 -0.0000000), wk = 0.0015244 k( 129) = ( 0.4520548 0.3173302 -0.0000000), wk = 0.0015244 k( 130) = ( 0.4452055 0.3173302 -0.0000000), wk = 0.0015244 k( 131) = ( 0.4383562 0.3173302 -0.0000000), wk = 0.0015244 k( 132) = ( 0.4315068 0.3173302 -0.0000000), wk = 0.0015244 k( 133) = ( 0.4246575 0.3173302 -0.0000000), wk = 0.0015244 k( 134) = ( 0.4178082 0.3173302 -0.0000000), wk = 0.0015244 k( 135) = ( 0.4109589 0.3173302 -0.0000000), wk = 0.0015244 k( 136) = ( 0.4041096 0.3173302 -0.0000000), wk = 0.0015244 k( 137) = ( 0.3972603 0.3173302 -0.0000000), wk = 0.0015244 k( 138) = ( 0.3904110 0.3173302 -0.0000000), wk = 0.0015244 k( 139) = ( 0.3835616 0.3173302 -0.0000000), wk = 0.0015244 k( 140) = ( 0.3767123 0.3173302 -0.0000000), wk = 0.0015244 k( 141) = ( 0.3698630 0.3173302 -0.0000000), wk = 0.0015244 k( 142) = ( 0.3630137 0.3173302 -0.0000000), wk = 0.0015244 k( 143) = ( 0.3561644 0.3173302 -0.0000000), wk = 0.0015244 k( 144) = ( 0.3493151 0.3173302 -0.0000000), wk = 0.0015244 k( 145) = ( 0.3424658 0.3173302 -0.0000000), wk = 0.0015244 k( 146) = ( 0.3356164 0.3173302 -0.0000000), wk = 0.0015244 k( 147) = ( 0.3287671 0.3173302 -0.0000000), wk = 0.0015244 k( 148) = ( 0.3219178 0.3173302 -0.0000000), wk = 0.0015244 k( 149) = ( 0.3150685 0.3173302 -0.0000000), wk = 0.0015244 k( 150) = ( 0.3082192 0.3173302 -0.0000000), wk = 0.0015244 k( 151) = ( 0.3013699 0.3173302 -0.0000000), wk = 0.0015244 k( 152) = ( 0.2945205 0.3173302 -0.0000000), wk = 0.0015244 k( 153) = ( 0.2876712 0.3173302 -0.0000000), wk = 0.0015244 k( 154) = ( 0.2808219 0.3173302 -0.0000000), wk = 0.0015244 k( 155) = ( 0.2739726 0.3173302 -0.0000000), wk = 0.0015244 k( 156) = ( 0.2671233 0.3173302 -0.0000000), wk = 0.0015244 k( 157) = ( 0.2602740 0.3173302 -0.0000000), wk = 0.0015244 k( 158) = ( 0.2534247 0.3173302 -0.0000000), wk = 0.0015244 k( 159) = ( 0.2465753 0.3173302 -0.0000000), wk = 0.0015244 k( 160) = ( 0.2397260 0.3173302 -0.0000000), wk = 0.0015244 k( 161) = ( 0.2328767 0.3173302 -0.0000000), wk = 0.0015244 k( 162) = ( 0.2260274 0.3173302 -0.0000000), wk = 0.0015244 k( 163) = ( 0.2191781 0.3173302 -0.0000000), wk = 0.0015244 k( 164) = ( 0.2123288 0.3173302 -0.0000000), wk = 0.0015244 k( 165) = ( 0.2054795 0.3173302 -0.0000000), wk = 0.0015244 k( 166) = ( 0.1986301 0.3173302 -0.0000000), wk = 0.0015244 k( 167) = ( 0.1917808 0.3173302 -0.0000000), wk = 0.0015244 k( 168) = ( 0.1849315 0.3173302 -0.0000000), wk = 0.0015244 k( 169) = ( 0.1780822 0.3173302 -0.0000000), wk = 0.0015244 k( 170) = ( 0.1712329 0.3173302 -0.0000000), wk = 0.0015244 k( 171) = ( 0.1643836 0.3173302 -0.0000000), wk = 0.0015244 k( 172) = ( 0.1575342 0.3173302 -0.0000000), wk = 0.0015244 k( 173) = ( 0.1506849 0.3173302 -0.0000000), wk = 0.0015244 k( 174) = ( 0.1438356 0.3173302 -0.0000000), wk = 0.0015244 k( 175) = ( 0.1369863 0.3173302 -0.0000000), wk = 0.0015244 k( 176) = ( 0.1301370 0.3173302 -0.0000000), wk = 0.0015244 k( 177) = ( 0.1232877 0.3173302 -0.0000000), wk = 0.0015244 k( 178) = ( 0.1164384 0.3173302 -0.0000000), wk = 0.0015244 k( 179) = ( 0.1095890 0.3173302 -0.0000000), wk = 0.0015244 k( 180) = ( 0.1027397 0.3173302 -0.0000000), wk = 0.0015244 k( 181) = ( 0.0958904 0.3173302 -0.0000000), wk = 0.0015244 k( 182) = ( 0.0890411 0.3173302 -0.0000000), wk = 0.0015244 k( 183) = ( 0.0821918 0.3173302 -0.0000000), wk = 0.0015244 k( 184) = ( 0.0753425 0.3173302 -0.0000000), wk = 0.0015244 k( 185) = ( 0.0684932 0.3173302 -0.0000000), wk = 0.0015244 k( 186) = ( 0.0616438 0.3173302 -0.0000000), wk = 0.0015244 k( 187) = ( 0.0547945 0.3173302 -0.0000000), wk = 0.0015244 k( 188) = ( 0.0479452 0.3173302 -0.0000000), wk = 0.0015244 k( 189) = ( 0.0410959 0.3173302 -0.0000000), wk = 0.0015244 k( 190) = ( 0.0342466 0.3173302 -0.0000000), wk = 0.0015244 k( 191) = ( 0.0273973 0.3173302 -0.0000000), wk = 0.0015244 k( 192) = ( 0.0205479 0.3173302 -0.0000000), wk = 0.0015244 k( 193) = ( 0.0136986 0.3173302 -0.0000000), wk = 0.0015244 k( 194) = ( 0.0068493 0.3173302 -0.0000000), wk = 0.0015244 k( 195) = ( 0.0000000 0.3173302 -0.0000000), wk = 0.0015244 k( 196) = ( 0.0000000 0.3173302 -0.0000000), wk = 0.0015244 k( 197) = ( 0.0000000 0.3104317 -0.0000000), wk = 0.0015244 k( 198) = ( 0.0000000 0.3035332 -0.0000000), wk = 0.0015244 k( 199) = ( 0.0000000 0.2966348 -0.0000000), wk = 0.0015244 k( 200) = ( 0.0000000 0.2897363 -0.0000000), wk = 0.0015244 k( 201) = ( 0.0000000 0.2828378 -0.0000000), wk = 0.0015244 k( 202) = ( 0.0000000 0.2759393 -0.0000000), wk = 0.0015244 k( 203) = ( 0.0000000 0.2690408 -0.0000000), wk = 0.0015244 k( 204) = ( 0.0000000 0.2621423 -0.0000000), wk = 0.0015244 k( 205) = ( 0.0000000 0.2552439 -0.0000000), wk = 0.0015244 k( 206) = ( 0.0000000 0.2483454 -0.0000000), wk = 0.0015244 k( 207) = ( 0.0000000 0.2414469 -0.0000000), wk = 0.0015244 k( 208) = ( 0.0000000 0.2345484 -0.0000000), wk = 0.0015244 k( 209) = ( 0.0000000 0.2276499 -0.0000000), wk = 0.0015244 k( 210) = ( 0.0000000 0.2207515 -0.0000000), wk = 0.0015244 k( 211) = ( 0.0000000 0.2138530 -0.0000000), wk = 0.0015244 k( 212) = ( 0.0000000 0.2069545 -0.0000000), wk = 0.0015244 k( 213) = ( 0.0000000 0.2000560 -0.0000000), wk = 0.0015244 k( 214) = ( 0.0000000 0.1931575 -0.0000000), wk = 0.0015244 k( 215) = ( 0.0000000 0.1862590 -0.0000000), wk = 0.0015244 k( 216) = ( 0.0000000 0.1793606 -0.0000000), wk = 0.0015244 k( 217) = ( 0.0000000 0.1724621 -0.0000000), wk = 0.0015244 k( 218) = ( 0.0000000 0.1655636 -0.0000000), wk = 0.0015244 k( 219) = ( 0.0000000 0.1586651 -0.0000000), wk = 0.0015244 k( 220) = ( 0.0000000 0.1517666 -0.0000000), wk = 0.0015244 k( 221) = ( 0.0000000 0.1448681 -0.0000000), wk = 0.0015244 k( 222) = ( 0.0000000 0.1379697 -0.0000000), wk = 0.0015244 k( 223) = ( 0.0000000 0.1310712 -0.0000000), wk = 0.0015244 k( 224) = ( 0.0000000 0.1241727 -0.0000000), wk = 0.0015244 k( 225) = ( 0.0000000 0.1172742 -0.0000000), wk = 0.0015244 k( 226) = ( 0.0000000 0.1103757 -0.0000000), wk = 0.0015244 k( 227) = ( 0.0000000 0.1034772 -0.0000000), wk = 0.0015244 k( 228) = ( 0.0000000 0.0965788 -0.0000000), wk = 0.0015244 k( 229) = ( 0.0000000 0.0896803 -0.0000000), wk = 0.0015244 k( 230) = ( 0.0000000 0.0827818 -0.0000000), wk = 0.0015244 k( 231) = ( 0.0000000 0.0758833 -0.0000000), wk = 0.0015244 k( 232) = ( 0.0000000 0.0689848 -0.0000000), wk = 0.0015244 k( 233) = ( 0.0000000 0.0620863 -0.0000000), wk = 0.0015244 k( 234) = ( 0.0000000 0.0551879 -0.0000000), wk = 0.0015244 k( 235) = ( 0.0000000 0.0482894 -0.0000000), wk = 0.0015244 k( 236) = ( 0.0000000 0.0413909 -0.0000000), wk = 0.0015244 k( 237) = ( 0.0000000 0.0344924 -0.0000000), wk = 0.0015244 k( 238) = ( 0.0000000 0.0275939 -0.0000000), wk = 0.0015244 k( 239) = ( 0.0000000 0.0206955 -0.0000000), wk = 0.0015244 k( 240) = ( 0.0000000 0.0137970 -0.0000000), wk = 0.0015244 k( 241) = ( 0.0000000 0.0068985 -0.0000000), wk = 0.0015244 k( 242) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0015244 k( 243) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0015244 k( 244) = ( 0.0000000 0.0000000 0.0068734), wk = 0.0015244 k( 245) = ( 0.0000000 0.0000000 0.0137467), wk = 0.0015244 k( 246) = ( 0.0000000 0.0000000 0.0206201), wk = 0.0015244 k( 247) = ( 0.0000000 0.0000000 0.0274935), wk = 0.0015244 k( 248) = ( 0.0000000 0.0000000 0.0343669), wk = 0.0015244 k( 249) = ( 0.0000000 0.0000000 0.0412403), wk = 0.0015244 k( 250) = ( 0.0000000 0.0000000 0.0481136), wk = 0.0015244 k( 251) = ( 0.0000000 0.0000000 0.0549870), wk = 0.0015244 k( 252) = ( 0.0000000 0.0000000 0.0618604), wk = 0.0015244 k( 253) = ( 0.0000000 0.0000000 0.0687338), wk = 0.0015244 k( 254) = ( 0.0000000 0.0000000 0.0756071), wk = 0.0015244 k( 255) = ( 0.0000000 0.0000000 0.0824805), wk = 0.0015244 k( 256) = ( 0.0000000 0.0000000 0.0893539), wk = 0.0015244 k( 257) = ( 0.0000000 0.0000000 0.0962273), wk = 0.0015244 k( 258) = ( 0.0000000 0.0000000 0.1031006), wk = 0.0015244 k( 259) = ( 0.0000000 0.0000000 0.1099740), wk = 0.0015244 k( 260) = ( 0.0000000 0.0000000 0.1168474), wk = 0.0015244 k( 261) = ( 0.0000000 0.0000000 0.1237208), wk = 0.0015244 k( 262) = ( 0.0000000 0.0000000 0.1305941), wk = 0.0015244 k( 263) = ( 0.0000000 0.0000000 0.1374675), wk = 0.0015244 k( 264) = ( 0.0000000 0.0000000 0.1443409), wk = 0.0015244 k( 265) = ( 0.0000000 0.0000000 0.1512143), wk = 0.0015244 k( 266) = ( 0.0000000 0.0000000 0.1580876), wk = 0.0015244 k( 267) = ( 0.0000000 0.0000000 0.1649610), wk = 0.0015244 k( 268) = ( 0.0000000 0.0000000 0.1718344), wk = 0.0015244 k( 269) = ( 0.0000000 0.0000000 0.1787078), wk = 0.0015244 k( 270) = ( 0.0000000 0.0000000 0.1855811), wk = 0.0015244 k( 271) = ( 0.0000000 0.0000000 0.1924545), wk = 0.0015244 k( 272) = ( 0.0000000 0.0000000 0.1993279), wk = 0.0015244 k( 273) = ( 0.0000000 0.0000000 0.2062013), wk = 0.0015244 k( 274) = ( 0.0000000 0.0000000 0.2130746), wk = 0.0015244 k( 275) = ( 0.0000000 0.0000000 0.2199480), wk = 0.0015244 k( 276) = ( 0.0000000 0.0000000 0.2268214), wk = 0.0015244 k( 277) = ( 0.0000000 0.0000000 0.2336948), wk = 0.0015244 k( 278) = ( 0.0000000 0.0000000 0.2405681), wk = 0.0015244 k( 279) = ( 0.0000000 0.0000000 0.2474415), wk = 0.0015244 k( 280) = ( 0.0000000 0.0000000 0.2543149), wk = 0.0015244 k( 281) = ( 0.0000000 0.0000000 0.2611883), wk = 0.0015244 k( 282) = ( 0.0000000 0.0000000 0.2680616), wk = 0.0015244 k( 283) = ( 0.0000000 0.0000000 0.2749350), wk = 0.0015244 k( 284) = ( 0.0000000 0.0000000 0.2818084), wk = 0.0015244 k( 285) = ( 0.0000000 0.0000000 0.2886818), wk = 0.0015244 k( 286) = ( 0.0000000 0.0000000 0.2886818), wk = 0.0015244 k( 287) = ( 0.0068493 -0.0000000 0.2886818), wk = 0.0015244 k( 288) = ( 0.0136986 -0.0000000 0.2886818), wk = 0.0015244 k( 289) = ( 0.0205479 -0.0000000 0.2886818), wk = 0.0015244 k( 290) = ( 0.0273973 -0.0000000 0.2886818), wk = 0.0015244 k( 291) = ( 0.0342466 -0.0000000 0.2886818), wk = 0.0015244 k( 292) = ( 0.0410959 -0.0000000 0.2886818), wk = 0.0015244 k( 293) = ( 0.0479452 -0.0000000 0.2886818), wk = 0.0015244 k( 294) = ( 0.0547945 -0.0000000 0.2886818), wk = 0.0015244 k( 295) = ( 0.0616438 -0.0000000 0.2886818), wk = 0.0015244 k( 296) = ( 0.0684932 -0.0000000 0.2886818), wk = 0.0015244 k( 297) = ( 0.0753425 -0.0000000 0.2886818), wk = 0.0015244 k( 298) = ( 0.0821918 -0.0000000 0.2886818), wk = 0.0015244 k( 299) = ( 0.0890411 -0.0000000 0.2886818), wk = 0.0015244 k( 300) = ( 0.0958904 -0.0000000 0.2886818), wk = 0.0015244 k( 301) = ( 0.1027397 -0.0000000 0.2886818), wk = 0.0015244 k( 302) = ( 0.1095890 -0.0000000 0.2886818), wk = 0.0015244 k( 303) = ( 0.1164384 -0.0000000 0.2886818), wk = 0.0015244 k( 304) = ( 0.1232877 -0.0000000 0.2886818), wk = 0.0015244 k( 305) = ( 0.1301370 -0.0000000 0.2886818), wk = 0.0015244 k( 306) = ( 0.1369863 -0.0000000 0.2886818), wk = 0.0015244 k( 307) = ( 0.1438356 -0.0000000 0.2886818), wk = 0.0015244 k( 308) = ( 0.1506849 -0.0000000 0.2886818), wk = 0.0015244 k( 309) = ( 0.1575342 -0.0000000 0.2886818), wk = 0.0015244 k( 310) = ( 0.1643836 -0.0000000 0.2886818), wk = 0.0015244 k( 311) = ( 0.1712329 -0.0000000 0.2886818), wk = 0.0015244 k( 312) = ( 0.1780822 -0.0000000 0.2886818), wk = 0.0015244 k( 313) = ( 0.1849315 -0.0000000 0.2886818), wk = 0.0015244 k( 314) = ( 0.1917808 -0.0000000 0.2886818), wk = 0.0015244 k( 315) = ( 0.1986301 -0.0000000 0.2886818), wk = 0.0015244 k( 316) = ( 0.2054795 -0.0000000 0.2886818), wk = 0.0015244 k( 317) = ( 0.2123288 -0.0000000 0.2886818), wk = 0.0015244 k( 318) = ( 0.2191781 -0.0000000 0.2886818), wk = 0.0015244 k( 319) = ( 0.2260274 -0.0000000 0.2886818), wk = 0.0015244 k( 320) = ( 0.2328767 -0.0000000 0.2886818), wk = 0.0015244 k( 321) = ( 0.2397260 -0.0000000 0.2886818), wk = 0.0015244 k( 322) = ( 0.2465753 -0.0000000 0.2886818), wk = 0.0015244 k( 323) = ( 0.2534247 -0.0000000 0.2886818), wk = 0.0015244 k( 324) = ( 0.2602740 -0.0000000 0.2886818), wk = 0.0015244 k( 325) = ( 0.2671233 -0.0000000 0.2886818), wk = 0.0015244 k( 326) = ( 0.2739726 -0.0000000 0.2886818), wk = 0.0015244 k( 327) = ( 0.2808219 -0.0000000 0.2886818), wk = 0.0015244 k( 328) = ( 0.2876712 -0.0000000 0.2886818), wk = 0.0015244 k( 329) = ( 0.2945205 -0.0000000 0.2886818), wk = 0.0015244 k( 330) = ( 0.3013699 -0.0000000 0.2886818), wk = 0.0015244 k( 331) = ( 0.3082192 -0.0000000 0.2886818), wk = 0.0015244 k( 332) = ( 0.3150685 -0.0000000 0.2886818), wk = 0.0015244 k( 333) = ( 0.3219178 -0.0000000 0.2886818), wk = 0.0015244 k( 334) = ( 0.3287671 -0.0000000 0.2886818), wk = 0.0015244 k( 335) = ( 0.3356164 -0.0000000 0.2886818), wk = 0.0015244 k( 336) = ( 0.3424658 -0.0000000 0.2886818), wk = 0.0015244 k( 337) = ( 0.3493151 -0.0000000 0.2886818), wk = 0.0015244 k( 338) = ( 0.3561644 -0.0000000 0.2886818), wk = 0.0015244 k( 339) = ( 0.3630137 -0.0000000 0.2886818), wk = 0.0015244 k( 340) = ( 0.3698630 -0.0000000 0.2886818), wk = 0.0015244 k( 341) = ( 0.3767123 -0.0000000 0.2886818), wk = 0.0015244 k( 342) = ( 0.3835616 -0.0000000 0.2886818), wk = 0.0015244 k( 343) = ( 0.3904110 -0.0000000 0.2886818), wk = 0.0015244 k( 344) = ( 0.3972603 -0.0000000 0.2886818), wk = 0.0015244 k( 345) = ( 0.4041096 -0.0000000 0.2886818), wk = 0.0015244 k( 346) = ( 0.4109589 -0.0000000 0.2886818), wk = 0.0015244 k( 347) = ( 0.4178082 -0.0000000 0.2886818), wk = 0.0015244 k( 348) = ( 0.4246575 -0.0000000 0.2886818), wk = 0.0015244 k( 349) = ( 0.4315068 -0.0000000 0.2886818), wk = 0.0015244 k( 350) = ( 0.4383562 -0.0000000 0.2886818), wk = 0.0015244 k( 351) = ( 0.4452055 -0.0000000 0.2886818), wk = 0.0015244 k( 352) = ( 0.4520548 -0.0000000 0.2886818), wk = 0.0015244 k( 353) = ( 0.4589041 -0.0000000 0.2886818), wk = 0.0015244 k( 354) = ( 0.4657534 -0.0000000 0.2886818), wk = 0.0015244 k( 355) = ( 0.4726027 -0.0000000 0.2886818), wk = 0.0015244 k( 356) = ( 0.4794521 -0.0000000 0.2886818), wk = 0.0015244 k( 357) = ( 0.4863014 -0.0000000 0.2886818), wk = 0.0015244 k( 358) = ( 0.4931507 -0.0000000 0.2886818), wk = 0.0015244 k( 359) = ( 0.5000000 -0.0000000 0.2886818), wk = 0.0015244 k( 360) = ( 0.5000000 -0.0000000 0.2886818), wk = 0.0015244 k( 361) = ( 0.5000000 0.0068985 0.2886818), wk = 0.0015244 k( 362) = ( 0.5000000 0.0137970 0.2886818), wk = 0.0015244 k( 363) = ( 0.5000000 0.0206955 0.2886818), wk = 0.0015244 k( 364) = ( 0.5000000 0.0275939 0.2886818), wk = 0.0015244 k( 365) = ( 0.5000000 0.0344924 0.2886818), wk = 0.0015244 k( 366) = ( 0.5000000 0.0413909 0.2886818), wk = 0.0015244 k( 367) = ( 0.5000000 0.0482894 0.2886818), wk = 0.0015244 k( 368) = ( 0.5000000 0.0551879 0.2886818), wk = 0.0015244 k( 369) = ( 0.5000000 0.0620863 0.2886818), wk = 0.0015244 k( 370) = ( 0.5000000 0.0689848 0.2886818), wk = 0.0015244 k( 371) = ( 0.5000000 0.0758833 0.2886818), wk = 0.0015244 k( 372) = ( 0.5000000 0.0827818 0.2886818), wk = 0.0015244 k( 373) = ( 0.5000000 0.0896803 0.2886818), wk = 0.0015244 k( 374) = ( 0.5000000 0.0965788 0.2886818), wk = 0.0015244 k( 375) = ( 0.5000000 0.1034772 0.2886818), wk = 0.0015244 k( 376) = ( 0.5000000 0.1103757 0.2886818), wk = 0.0015244 k( 377) = ( 0.5000000 0.1172742 0.2886818), wk = 0.0015244 k( 378) = ( 0.5000000 0.1241727 0.2886818), wk = 0.0015244 k( 379) = ( 0.5000000 0.1310712 0.2886818), wk = 0.0015244 k( 380) = ( 0.5000000 0.1379697 0.2886818), wk = 0.0015244 k( 381) = ( 0.5000000 0.1448681 0.2886818), wk = 0.0015244 k( 382) = ( 0.5000000 0.1517666 0.2886818), wk = 0.0015244 k( 383) = ( 0.5000000 0.1586651 0.2886818), wk = 0.0015244 k( 384) = ( 0.5000000 0.1655636 0.2886818), wk = 0.0015244 k( 385) = ( 0.5000000 0.1724621 0.2886818), wk = 0.0015244 k( 386) = ( 0.5000000 0.1793606 0.2886818), wk = 0.0015244 k( 387) = ( 0.5000000 0.1862590 0.2886818), wk = 0.0015244 k( 388) = ( 0.5000000 0.1931575 0.2886818), wk = 0.0015244 k( 389) = ( 0.5000000 0.2000560 0.2886818), wk = 0.0015244 k( 390) = ( 0.5000000 0.2069545 0.2886818), wk = 0.0015244 k( 391) = ( 0.5000000 0.2138530 0.2886818), wk = 0.0015244 k( 392) = ( 0.5000000 0.2207515 0.2886818), wk = 0.0015244 k( 393) = ( 0.5000000 0.2276499 0.2886818), wk = 0.0015244 k( 394) = ( 0.5000000 0.2345484 0.2886818), wk = 0.0015244 k( 395) = ( 0.5000000 0.2414469 0.2886818), wk = 0.0015244 k( 396) = ( 0.5000000 0.2483454 0.2886818), wk = 0.0015244 k( 397) = ( 0.5000000 0.2552439 0.2886818), wk = 0.0015244 k( 398) = ( 0.5000000 0.2621423 0.2886818), wk = 0.0015244 k( 399) = ( 0.5000000 0.2690408 0.2886818), wk = 0.0015244 k( 400) = ( 0.5000000 0.2759393 0.2886818), wk = 0.0015244 k( 401) = ( 0.5000000 0.2828378 0.2886818), wk = 0.0015244 k( 402) = ( 0.5000000 0.2897363 0.2886818), wk = 0.0015244 k( 403) = ( 0.5000000 0.2966348 0.2886818), wk = 0.0015244 k( 404) = ( 0.5000000 0.3035332 0.2886818), wk = 0.0015244 k( 405) = ( 0.5000000 0.3104317 0.2886818), wk = 0.0015244 k( 406) = ( 0.5000000 0.3173302 0.2886818), wk = 0.0015244 k( 407) = ( 0.5000000 0.3173302 0.2886818), wk = 0.0015244 k( 408) = ( 0.4931507 0.3173302 0.2886818), wk = 0.0015244 k( 409) = ( 0.4863014 0.3173302 0.2886818), wk = 0.0015244 k( 410) = ( 0.4794521 0.3173302 0.2886818), wk = 0.0015244 k( 411) = ( 0.4726027 0.3173302 0.2886818), wk = 0.0015244 k( 412) = ( 0.4657534 0.3173302 0.2886818), wk = 0.0015244 k( 413) = ( 0.4589041 0.3173302 0.2886818), wk = 0.0015244 k( 414) = ( 0.4520548 0.3173302 0.2886818), wk = 0.0015244 k( 415) = ( 0.4452055 0.3173302 0.2886818), wk = 0.0015244 k( 416) = ( 0.4383562 0.3173302 0.2886818), wk = 0.0015244 k( 417) = ( 0.4315068 0.3173302 0.2886818), wk = 0.0015244 k( 418) = ( 0.4246575 0.3173302 0.2886818), wk = 0.0015244 k( 419) = ( 0.4178082 0.3173302 0.2886818), wk = 0.0015244 k( 420) = ( 0.4109589 0.3173302 0.2886818), wk = 0.0015244 k( 421) = ( 0.4041096 0.3173302 0.2886818), wk = 0.0015244 k( 422) = ( 0.3972603 0.3173302 0.2886818), wk = 0.0015244 k( 423) = ( 0.3904110 0.3173302 0.2886818), wk = 0.0015244 k( 424) = ( 0.3835616 0.3173302 0.2886818), wk = 0.0015244 k( 425) = ( 0.3767123 0.3173302 0.2886818), wk = 0.0015244 k( 426) = ( 0.3698630 0.3173302 0.2886818), wk = 0.0015244 k( 427) = ( 0.3630137 0.3173302 0.2886818), wk = 0.0015244 k( 428) = ( 0.3561644 0.3173302 0.2886818), wk = 0.0015244 k( 429) = ( 0.3493151 0.3173302 0.2886818), wk = 0.0015244 k( 430) = ( 0.3424658 0.3173302 0.2886818), wk = 0.0015244 k( 431) = ( 0.3356164 0.3173302 0.2886818), wk = 0.0015244 k( 432) = ( 0.3287671 0.3173302 0.2886818), wk = 0.0015244 k( 433) = ( 0.3219178 0.3173302 0.2886818), wk = 0.0015244 k( 434) = ( 0.3150685 0.3173302 0.2886818), wk = 0.0015244 k( 435) = ( 0.3082192 0.3173302 0.2886818), wk = 0.0015244 k( 436) = ( 0.3013699 0.3173302 0.2886818), wk = 0.0015244 k( 437) = ( 0.2945205 0.3173302 0.2886818), wk = 0.0015244 k( 438) = ( 0.2876712 0.3173302 0.2886818), wk = 0.0015244 k( 439) = ( 0.2808219 0.3173302 0.2886818), wk = 0.0015244 k( 440) = ( 0.2739726 0.3173302 0.2886818), wk = 0.0015244 k( 441) = ( 0.2671233 0.3173302 0.2886818), wk = 0.0015244 k( 442) = ( 0.2602740 0.3173302 0.2886818), wk = 0.0015244 k( 443) = ( 0.2534247 0.3173302 0.2886818), wk = 0.0015244 k( 444) = ( 0.2465753 0.3173302 0.2886818), wk = 0.0015244 k( 445) = ( 0.2397260 0.3173302 0.2886818), wk = 0.0015244 k( 446) = ( 0.2328767 0.3173302 0.2886818), wk = 0.0015244 k( 447) = ( 0.2260274 0.3173302 0.2886818), wk = 0.0015244 k( 448) = ( 0.2191781 0.3173302 0.2886818), wk = 0.0015244 k( 449) = ( 0.2123288 0.3173302 0.2886818), wk = 0.0015244 k( 450) = ( 0.2054795 0.3173302 0.2886818), wk = 0.0015244 k( 451) = ( 0.1986301 0.3173302 0.2886818), wk = 0.0015244 k( 452) = ( 0.1917808 0.3173302 0.2886818), wk = 0.0015244 k( 453) = ( 0.1849315 0.3173302 0.2886818), wk = 0.0015244 k( 454) = ( 0.1780822 0.3173302 0.2886818), wk = 0.0015244 k( 455) = ( 0.1712329 0.3173302 0.2886818), wk = 0.0015244 k( 456) = ( 0.1643836 0.3173302 0.2886818), wk = 0.0015244 k( 457) = ( 0.1575342 0.3173302 0.2886818), wk = 0.0015244 k( 458) = ( 0.1506849 0.3173302 0.2886818), wk = 0.0015244 k( 459) = ( 0.1438356 0.3173302 0.2886818), wk = 0.0015244 k( 460) = ( 0.1369863 0.3173302 0.2886818), wk = 0.0015244 k( 461) = ( 0.1301370 0.3173302 0.2886818), wk = 0.0015244 k( 462) = ( 0.1232877 0.3173302 0.2886818), wk = 0.0015244 k( 463) = ( 0.1164384 0.3173302 0.2886818), wk = 0.0015244 k( 464) = ( 0.1095890 0.3173302 0.2886818), wk = 0.0015244 k( 465) = ( 0.1027397 0.3173302 0.2886818), wk = 0.0015244 k( 466) = ( 0.0958904 0.3173302 0.2886818), wk = 0.0015244 k( 467) = ( 0.0890411 0.3173302 0.2886818), wk = 0.0015244 k( 468) = ( 0.0821918 0.3173302 0.2886818), wk = 0.0015244 k( 469) = ( 0.0753425 0.3173302 0.2886818), wk = 0.0015244 k( 470) = ( 0.0684932 0.3173302 0.2886818), wk = 0.0015244 k( 471) = ( 0.0616438 0.3173302 0.2886818), wk = 0.0015244 k( 472) = ( 0.0547945 0.3173302 0.2886818), wk = 0.0015244 k( 473) = ( 0.0479452 0.3173302 0.2886818), wk = 0.0015244 k( 474) = ( 0.0410959 0.3173302 0.2886818), wk = 0.0015244 k( 475) = ( 0.0342466 0.3173302 0.2886818), wk = 0.0015244 k( 476) = ( 0.0273973 0.3173302 0.2886818), wk = 0.0015244 k( 477) = ( 0.0205479 0.3173302 0.2886818), wk = 0.0015244 k( 478) = ( 0.0136986 0.3173302 0.2886818), wk = 0.0015244 k( 479) = ( 0.0068493 0.3173302 0.2886818), wk = 0.0015244 k( 480) = ( 0.0000000 0.3173302 0.2886818), wk = 0.0015244 k( 481) = ( 0.0000000 0.3173302 0.2886818), wk = 0.0015244 k( 482) = ( 0.0000000 0.3104317 0.2886818), wk = 0.0015244 k( 483) = ( 0.0000000 0.3035332 0.2886818), wk = 0.0015244 k( 484) = ( 0.0000000 0.2966348 0.2886818), wk = 0.0015244 k( 485) = ( 0.0000000 0.2897363 0.2886818), wk = 0.0015244 k( 486) = ( 0.0000000 0.2828378 0.2886818), wk = 0.0015244 k( 487) = ( 0.0000000 0.2759393 0.2886818), wk = 0.0015244 k( 488) = ( 0.0000000 0.2690408 0.2886818), wk = 0.0015244 k( 489) = ( 0.0000000 0.2621423 0.2886818), wk = 0.0015244 k( 490) = ( 0.0000000 0.2552439 0.2886818), wk = 0.0015244 k( 491) = ( 0.0000000 0.2483454 0.2886818), wk = 0.0015244 k( 492) = ( 0.0000000 0.2414469 0.2886818), wk = 0.0015244 k( 493) = ( 0.0000000 0.2345484 0.2886818), wk = 0.0015244 k( 494) = ( 0.0000000 0.2276499 0.2886818), wk = 0.0015244 k( 495) = ( 0.0000000 0.2207515 0.2886818), wk = 0.0015244 k( 496) = ( 0.0000000 0.2138530 0.2886818), wk = 0.0015244 k( 497) = ( 0.0000000 0.2069545 0.2886818), wk = 0.0015244 k( 498) = ( 0.0000000 0.2000560 0.2886818), wk = 0.0015244 k( 499) = ( 0.0000000 0.1931575 0.2886818), wk = 0.0015244 k( 500) = ( 0.0000000 0.1862590 0.2886818), wk = 0.0015244 k( 501) = ( 0.0000000 0.1793606 0.2886818), wk = 0.0015244 k( 502) = ( 0.0000000 0.1724621 0.2886818), wk = 0.0015244 k( 503) = ( 0.0000000 0.1655636 0.2886818), wk = 0.0015244 k( 504) = ( 0.0000000 0.1586651 0.2886818), wk = 0.0015244 k( 505) = ( 0.0000000 0.1517666 0.2886818), wk = 0.0015244 k( 506) = ( 0.0000000 0.1448681 0.2886818), wk = 0.0015244 k( 507) = ( 0.0000000 0.1379697 0.2886818), wk = 0.0015244 k( 508) = ( 0.0000000 0.1310712 0.2886818), wk = 0.0015244 k( 509) = ( 0.0000000 0.1241727 0.2886818), wk = 0.0015244 k( 510) = ( 0.0000000 0.1172742 0.2886818), wk = 0.0015244 k( 511) = ( 0.0000000 0.1103757 0.2886818), wk = 0.0015244 k( 512) = ( 0.0000000 0.1034772 0.2886818), wk = 0.0015244 k( 513) = ( 0.0000000 0.0965788 0.2886818), wk = 0.0015244 k( 514) = ( 0.0000000 0.0896803 0.2886818), wk = 0.0015244 k( 515) = ( 0.0000000 0.0827818 0.2886818), wk = 0.0015244 k( 516) = ( 0.0000000 0.0758833 0.2886818), wk = 0.0015244 k( 517) = ( 0.0000000 0.0689848 0.2886818), wk = 0.0015244 k( 518) = ( 0.0000000 0.0620863 0.2886818), wk = 0.0015244 k( 519) = ( 0.0000000 0.0551879 0.2886818), wk = 0.0015244 k( 520) = ( 0.0000000 0.0482894 0.2886818), wk = 0.0015244 k( 521) = ( 0.0000000 0.0413909 0.2886818), wk = 0.0015244 k( 522) = ( 0.0000000 0.0344924 0.2886818), wk = 0.0015244 k( 523) = ( 0.0000000 0.0275939 0.2886818), wk = 0.0015244 k( 524) = ( 0.0000000 0.0206955 0.2886818), wk = 0.0015244 k( 525) = ( 0.0000000 0.0137970 0.2886818), wk = 0.0015244 k( 526) = ( 0.0000000 0.0068985 0.2886818), wk = 0.0015244 k( 527) = ( 0.0000000 0.0000000 0.2886818), wk = 0.0015244 k( 528) = ( 0.0000000 0.3173302 -0.0000000), wk = 0.0015244 k( 529) = ( 0.0000000 0.3173302 0.0068734), wk = 0.0015244 k( 530) = ( 0.0000000 0.3173302 0.0137467), wk = 0.0015244 k( 531) = ( 0.0000000 0.3173302 0.0206201), wk = 0.0015244 k( 532) = ( 0.0000000 0.3173302 0.0274935), wk = 0.0015244 k( 533) = ( 0.0000000 0.3173302 0.0343669), wk = 0.0015244 k( 534) = ( 0.0000000 0.3173302 0.0412403), wk = 0.0015244 k( 535) = ( 0.0000000 0.3173302 0.0481136), wk = 0.0015244 k( 536) = ( 0.0000000 0.3173302 0.0549870), wk = 0.0015244 k( 537) = ( 0.0000000 0.3173302 0.0618604), wk = 0.0015244 k( 538) = ( 0.0000000 0.3173302 0.0687338), wk = 0.0015244 k( 539) = ( 0.0000000 0.3173302 0.0756071), wk = 0.0015244 k( 540) = ( 0.0000000 0.3173302 0.0824805), wk = 0.0015244 k( 541) = ( 0.0000000 0.3173302 0.0893539), wk = 0.0015244 k( 542) = ( 0.0000000 0.3173302 0.0962273), wk = 0.0015244 k( 543) = ( 0.0000000 0.3173302 0.1031006), wk = 0.0015244 k( 544) = ( 0.0000000 0.3173302 0.1099740), wk = 0.0015244 k( 545) = ( 0.0000000 0.3173302 0.1168474), wk = 0.0015244 k( 546) = ( 0.0000000 0.3173302 0.1237208), wk = 0.0015244 k( 547) = ( 0.0000000 0.3173302 0.1305941), wk = 0.0015244 k( 548) = ( 0.0000000 0.3173302 0.1374675), wk = 0.0015244 k( 549) = ( 0.0000000 0.3173302 0.1443409), wk = 0.0015244 k( 550) = ( 0.0000000 0.3173302 0.1512143), wk = 0.0015244 k( 551) = ( 0.0000000 0.3173302 0.1580876), wk = 0.0015244 k( 552) = ( 0.0000000 0.3173302 0.1649610), wk = 0.0015244 k( 553) = ( 0.0000000 0.3173302 0.1718344), wk = 0.0015244 k( 554) = ( 0.0000000 0.3173302 0.1787078), wk = 0.0015244 k( 555) = ( 0.0000000 0.3173302 0.1855811), wk = 0.0015244 k( 556) = ( 0.0000000 0.3173302 0.1924545), wk = 0.0015244 k( 557) = ( 0.0000000 0.3173302 0.1993279), wk = 0.0015244 k( 558) = ( 0.0000000 0.3173302 0.2062013), wk = 0.0015244 k( 559) = ( 0.0000000 0.3173302 0.2130746), wk = 0.0015244 k( 560) = ( 0.0000000 0.3173302 0.2199480), wk = 0.0015244 k( 561) = ( 0.0000000 0.3173302 0.2268214), wk = 0.0015244 k( 562) = ( 0.0000000 0.3173302 0.2336948), wk = 0.0015244 k( 563) = ( 0.0000000 0.3173302 0.2405681), wk = 0.0015244 k( 564) = ( 0.0000000 0.3173302 0.2474415), wk = 0.0015244 k( 565) = ( 0.0000000 0.3173302 0.2543149), wk = 0.0015244 k( 566) = ( 0.0000000 0.3173302 0.2611883), wk = 0.0015244 k( 567) = ( 0.0000000 0.3173302 0.2680616), wk = 0.0015244 k( 568) = ( 0.0000000 0.3173302 0.2749350), wk = 0.0015244 k( 569) = ( 0.0000000 0.3173302 0.2818084), wk = 0.0015244 k( 570) = ( 0.0000000 0.3173302 0.2886818), wk = 0.0015244 k( 571) = ( 0.5000000 -0.0000000 0.2886818), wk = 0.0015244 k( 572) = ( 0.5000000 -0.0000000 0.2818084), wk = 0.0015244 k( 573) = ( 0.5000000 -0.0000000 0.2749350), wk = 0.0015244 k( 574) = ( 0.5000000 -0.0000000 0.2680616), wk = 0.0015244 k( 575) = ( 0.5000000 -0.0000000 0.2611883), wk = 0.0015244 k( 576) = ( 0.5000000 -0.0000000 0.2543149), wk = 0.0015244 k( 577) = ( 0.5000000 -0.0000000 0.2474415), wk = 0.0015244 k( 578) = ( 0.5000000 -0.0000000 0.2405681), wk = 0.0015244 k( 579) = ( 0.5000000 -0.0000000 0.2336948), wk = 0.0015244 k( 580) = ( 0.5000000 -0.0000000 0.2268214), wk = 0.0015244 k( 581) = ( 0.5000000 -0.0000000 0.2199480), wk = 0.0015244 k( 582) = ( 0.5000000 -0.0000000 0.2130746), wk = 0.0015244 k( 583) = ( 0.5000000 -0.0000000 0.2062013), wk = 0.0015244 k( 584) = ( 0.5000000 -0.0000000 0.1993279), wk = 0.0015244 k( 585) = ( 0.5000000 -0.0000000 0.1924545), wk = 0.0015244 k( 586) = ( 0.5000000 -0.0000000 0.1855811), wk = 0.0015244 k( 587) = ( 0.5000000 -0.0000000 0.1787078), wk = 0.0015244 k( 588) = ( 0.5000000 -0.0000000 0.1718344), wk = 0.0015244 k( 589) = ( 0.5000000 -0.0000000 0.1649610), wk = 0.0015244 k( 590) = ( 0.5000000 -0.0000000 0.1580876), wk = 0.0015244 k( 591) = ( 0.5000000 -0.0000000 0.1512143), wk = 0.0015244 k( 592) = ( 0.5000000 -0.0000000 0.1443409), wk = 0.0015244 k( 593) = ( 0.5000000 -0.0000000 0.1374675), wk = 0.0015244 k( 594) = ( 0.5000000 -0.0000000 0.1305941), wk = 0.0015244 k( 595) = ( 0.5000000 -0.0000000 0.1237208), wk = 0.0015244 k( 596) = ( 0.5000000 -0.0000000 0.1168474), wk = 0.0015244 k( 597) = ( 0.5000000 -0.0000000 0.1099740), wk = 0.0015244 k( 598) = ( 0.5000000 -0.0000000 0.1031006), wk = 0.0015244 k( 599) = ( 0.5000000 -0.0000000 0.0962273), wk = 0.0015244 k( 600) = ( 0.5000000 -0.0000000 0.0893539), wk = 0.0015244 k( 601) = ( 0.5000000 -0.0000000 0.0824805), wk = 0.0015244 k( 602) = ( 0.5000000 -0.0000000 0.0756071), wk = 0.0015244 k( 603) = ( 0.5000000 -0.0000000 0.0687338), wk = 0.0015244 k( 604) = ( 0.5000000 -0.0000000 0.0618604), wk = 0.0015244 k( 605) = ( 0.5000000 -0.0000000 0.0549870), wk = 0.0015244 k( 606) = ( 0.5000000 -0.0000000 0.0481136), wk = 0.0015244 k( 607) = ( 0.5000000 -0.0000000 0.0412403), wk = 0.0015244 k( 608) = ( 0.5000000 -0.0000000 0.0343669), wk = 0.0015244 k( 609) = ( 0.5000000 -0.0000000 0.0274935), wk = 0.0015244 k( 610) = ( 0.5000000 -0.0000000 0.0206201), wk = 0.0015244 k( 611) = ( 0.5000000 -0.0000000 0.0137467), wk = 0.0015244 k( 612) = ( 0.5000000 -0.0000000 0.0068734), wk = 0.0015244 k( 613) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0015244 k( 614) = ( 0.5000000 0.3173302 -0.0000000), wk = 0.0015244 k( 615) = ( 0.5000000 0.3173302 0.0068734), wk = 0.0015244 k( 616) = ( 0.5000000 0.3173302 0.0137467), wk = 0.0015244 k( 617) = ( 0.5000000 0.3173302 0.0206201), wk = 0.0015244 k( 618) = ( 0.5000000 0.3173302 0.0274935), wk = 0.0015244 k( 619) = ( 0.5000000 0.3173302 0.0343669), wk = 0.0015244 k( 620) = ( 0.5000000 0.3173302 0.0412403), wk = 0.0015244 k( 621) = ( 0.5000000 0.3173302 0.0481136), wk = 0.0015244 k( 622) = ( 0.5000000 0.3173302 0.0549870), wk = 0.0015244 k( 623) = ( 0.5000000 0.3173302 0.0618604), wk = 0.0015244 k( 624) = ( 0.5000000 0.3173302 0.0687338), wk = 0.0015244 k( 625) = ( 0.5000000 0.3173302 0.0756071), wk = 0.0015244 k( 626) = ( 0.5000000 0.3173302 0.0824805), wk = 0.0015244 k( 627) = ( 0.5000000 0.3173302 0.0893539), wk = 0.0015244 k( 628) = ( 0.5000000 0.3173302 0.0962273), wk = 0.0015244 k( 629) = ( 0.5000000 0.3173302 0.1031006), wk = 0.0015244 k( 630) = ( 0.5000000 0.3173302 0.1099740), wk = 0.0015244 k( 631) = ( 0.5000000 0.3173302 0.1168474), wk = 0.0015244 k( 632) = ( 0.5000000 0.3173302 0.1237208), wk = 0.0015244 k( 633) = ( 0.5000000 0.3173302 0.1305941), wk = 0.0015244 k( 634) = ( 0.5000000 0.3173302 0.1374675), wk = 0.0015244 k( 635) = ( 0.5000000 0.3173302 0.1443409), wk = 0.0015244 k( 636) = ( 0.5000000 0.3173302 0.1512143), wk = 0.0015244 k( 637) = ( 0.5000000 0.3173302 0.1580876), wk = 0.0015244 k( 638) = ( 0.5000000 0.3173302 0.1649610), wk = 0.0015244 k( 639) = ( 0.5000000 0.3173302 0.1718344), wk = 0.0015244 k( 640) = ( 0.5000000 0.3173302 0.1787078), wk = 0.0015244 k( 641) = ( 0.5000000 0.3173302 0.1855811), wk = 0.0015244 k( 642) = ( 0.5000000 0.3173302 0.1924545), wk = 0.0015244 k( 643) = ( 0.5000000 0.3173302 0.1993279), wk = 0.0015244 k( 644) = ( 0.5000000 0.3173302 0.2062013), wk = 0.0015244 k( 645) = ( 0.5000000 0.3173302 0.2130746), wk = 0.0015244 k( 646) = ( 0.5000000 0.3173302 0.2199480), wk = 0.0015244 k( 647) = ( 0.5000000 0.3173302 0.2268214), wk = 0.0015244 k( 648) = ( 0.5000000 0.3173302 0.2336948), wk = 0.0015244 k( 649) = ( 0.5000000 0.3173302 0.2405681), wk = 0.0015244 k( 650) = ( 0.5000000 0.3173302 0.2474415), wk = 0.0015244 k( 651) = ( 0.5000000 0.3173302 0.2543149), wk = 0.0015244 k( 652) = ( 0.5000000 0.3173302 0.2611883), wk = 0.0015244 k( 653) = ( 0.5000000 0.3173302 0.2680616), wk = 0.0015244 k( 654) = ( 0.5000000 0.3173302 0.2749350), wk = 0.0015244 k( 655) = ( 0.5000000 0.3173302 0.2818084), wk = 0.0015244 k( 656) = ( 0.5000000 0.3173302 0.2886818), wk = 0.0015244 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0015244 k( 2) = ( 0.0068493 -0.0000000 0.0000000), wk = 0.0015244 k( 3) = ( 0.0136986 0.0000000 0.0000000), wk = 0.0015244 k( 4) = ( 0.0205479 -0.0000000 0.0000000), wk = 0.0015244 k( 5) = ( 0.0273973 0.0000000 0.0000000), wk = 0.0015244 k( 6) = ( 0.0342466 -0.0000000 0.0000000), wk = 0.0015244 k( 7) = ( 0.0410959 -0.0000000 0.0000000), wk = 0.0015244 k( 8) = ( 0.0479452 -0.0000000 0.0000000), wk = 0.0015244 k( 9) = ( 0.0547945 0.0000000 0.0000000), wk = 0.0015244 k( 10) = ( 0.0616438 -0.0000000 0.0000000), wk = 0.0015244 k( 11) = ( 0.0684932 -0.0000000 0.0000000), wk = 0.0015244 k( 12) = ( 0.0753425 -0.0000000 -0.0000000), wk = 0.0015244 k( 13) = ( 0.0821918 -0.0000000 0.0000000), wk = 0.0015244 k( 14) = ( 0.0890411 -0.0000000 -0.0000000), wk = 0.0015244 k( 15) = ( 0.0958904 0.0000000 0.0000000), wk = 0.0015244 k( 16) = ( 0.1027397 -0.0000000 -0.0000000), wk = 0.0015244 k( 17) = ( 0.1095890 0.0000000 0.0000000), wk = 0.0015244 k( 18) = ( 0.1164384 -0.0000000 0.0000000), wk = 0.0015244 k( 19) = ( 0.1232877 0.0000000 0.0000000), wk = 0.0015244 k( 20) = ( 0.1301370 -0.0000000 0.0000000), wk = 0.0015244 k( 21) = ( 0.1369863 -0.0000000 0.0000000), wk = 0.0015244 k( 22) = ( 0.1438356 -0.0000000 0.0000000), wk = 0.0015244 k( 23) = ( 0.1506849 0.0000000 0.0000000), wk = 0.0015244 k( 24) = ( 0.1575342 -0.0000000 -0.0000000), wk = 0.0015244 k( 25) = ( 0.1643836 -0.0000000 0.0000000), wk = 0.0015244 k( 26) = ( 0.1712329 -0.0000000 0.0000000), wk = 0.0015244 k( 27) = ( 0.1780822 0.0000000 0.0000000), wk = 0.0015244 k( 28) = ( 0.1849315 -0.0000000 0.0000000), wk = 0.0015244 k( 29) = ( 0.1917808 0.0000000 0.0000000), wk = 0.0015244 k( 30) = ( 0.1986301 -0.0000000 -0.0000000), wk = 0.0015244 k( 31) = ( 0.2054795 -0.0000000 0.0000000), wk = 0.0015244 k( 32) = ( 0.2123288 -0.0000000 0.0000000), wk = 0.0015244 k( 33) = ( 0.2191781 0.0000000 0.0000000), wk = 0.0015244 k( 34) = ( 0.2260274 -0.0000000 0.0000000), wk = 0.0015244 k( 35) = ( 0.2328767 0.0000000 0.0000000), wk = 0.0015244 k( 36) = ( 0.2397260 -0.0000000 0.0000000), wk = 0.0015244 k( 37) = ( 0.2465753 0.0000000 0.0000000), wk = 0.0015244 k( 38) = ( 0.2534247 -0.0000000 0.0000000), wk = 0.0015244 k( 39) = ( 0.2602740 -0.0000000 0.0000000), wk = 0.0015244 k( 40) = ( 0.2671233 -0.0000000 0.0000000), wk = 0.0015244 k( 41) = ( 0.2739726 -0.0000000 0.0000000), wk = 0.0015244 k( 42) = ( 0.2808219 -0.0000000 0.0000000), wk = 0.0015244 k( 43) = ( 0.2876712 -0.0000000 0.0000000), wk = 0.0015244 k( 44) = ( 0.2945205 0.0000000 0.0000000), wk = 0.0015244 k( 45) = ( 0.3013699 0.0000000 0.0000000), wk = 0.0015244 k( 46) = ( 0.3082192 -0.0000000 0.0000000), wk = 0.0015244 k( 47) = ( 0.3150685 -0.0000000 0.0000000), wk = 0.0015244 k( 48) = ( 0.3219178 -0.0000000 0.0000000), wk = 0.0015244 k( 49) = ( 0.3287671 -0.0000000 0.0000000), wk = 0.0015244 k( 50) = ( 0.3356164 -0.0000000 0.0000000), wk = 0.0015244 k( 51) = ( 0.3424658 -0.0000000 -0.0000000), wk = 0.0015244 k( 52) = ( 0.3493151 -0.0000000 0.0000000), wk = 0.0015244 k( 53) = ( 0.3561644 0.0000000 0.0000000), wk = 0.0015244 k( 54) = ( 0.3630137 0.0000000 0.0000000), wk = 0.0015244 k( 55) = ( 0.3698630 -0.0000000 0.0000000), wk = 0.0015244 k( 56) = ( 0.3767123 -0.0000000 0.0000000), wk = 0.0015244 k( 57) = ( 0.3835616 0.0000000 0.0000000), wk = 0.0015244 k( 58) = ( 0.3904110 0.0000000 0.0000000), wk = 0.0015244 k( 59) = ( 0.3972603 -0.0000000 0.0000000), wk = 0.0015244 k( 60) = ( 0.4041096 0.0000000 0.0000000), wk = 0.0015244 k( 61) = ( 0.4109589 -0.0000000 0.0000000), wk = 0.0015244 k( 62) = ( 0.4178082 -0.0000000 0.0000000), wk = 0.0015244 k( 63) = ( 0.4246575 -0.0000000 0.0000000), wk = 0.0015244 k( 64) = ( 0.4315068 -0.0000000 0.0000000), wk = 0.0015244 k( 65) = ( 0.4383562 0.0000000 0.0000000), wk = 0.0015244 k( 66) = ( 0.4452055 0.0000000 0.0000000), wk = 0.0015244 k( 67) = ( 0.4520548 -0.0000000 0.0000000), wk = 0.0015244 k( 68) = ( 0.4589041 -0.0000000 -0.0000000), wk = 0.0015244 k( 69) = ( 0.4657534 0.0000000 0.0000000), wk = 0.0015244 k( 70) = ( 0.4726027 -0.0000000 0.0000000), wk = 0.0015244 k( 71) = ( 0.4794521 -0.0000000 0.0000000), wk = 0.0015244 k( 72) = ( 0.4863014 0.0000000 0.0000000), wk = 0.0015244 k( 73) = ( 0.4931507 0.0000000 0.0000000), wk = 0.0015244 k( 74) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0015244 k( 75) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0015244 k( 76) = ( 0.5000000 0.0108696 0.0000000), wk = 0.0015244 k( 77) = ( 0.5000000 0.0217391 0.0000000), wk = 0.0015244 k( 78) = ( 0.5000000 0.0326087 0.0000000), wk = 0.0015244 k( 79) = ( 0.5000000 0.0434783 0.0000000), wk = 0.0015244 k( 80) = ( 0.5000000 0.0543478 0.0000000), wk = 0.0015244 k( 81) = ( 0.5000000 0.0652174 0.0000000), wk = 0.0015244 k( 82) = ( 0.5000000 0.0760870 0.0000000), wk = 0.0015244 k( 83) = ( 0.5000000 0.0869565 0.0000000), wk = 0.0015244 k( 84) = ( 0.5000000 0.0978261 0.0000000), wk = 0.0015244 k( 85) = ( 0.5000000 0.1086957 0.0000000), wk = 0.0015244 k( 86) = ( 0.5000000 0.1195652 -0.0000000), wk = 0.0015244 k( 87) = ( 0.5000000 0.1304348 0.0000000), wk = 0.0015244 k( 88) = ( 0.5000000 0.1413043 0.0000000), wk = 0.0015244 k( 89) = ( 0.5000000 0.1521739 0.0000000), wk = 0.0015244 k( 90) = ( 0.5000000 0.1630435 0.0000000), wk = 0.0015244 k( 91) = ( 0.5000000 0.1739130 0.0000000), wk = 0.0015244 k( 92) = ( 0.5000000 0.1847826 0.0000000), wk = 0.0015244 k( 93) = ( 0.5000000 0.1956522 0.0000000), wk = 0.0015244 k( 94) = ( 0.5000000 0.2065217 0.0000000), wk = 0.0015244 k( 95) = ( 0.5000000 0.2173913 0.0000000), wk = 0.0015244 k( 96) = ( 0.5000000 0.2282609 0.0000000), wk = 0.0015244 k( 97) = ( 0.5000000 0.2391304 0.0000000), wk = 0.0015244 k( 98) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0015244 k( 99) = ( 0.5000000 0.2608696 0.0000000), wk = 0.0015244 k( 100) = ( 0.5000000 0.2717391 0.0000000), wk = 0.0015244 k( 101) = ( 0.5000000 0.2826087 0.0000000), wk = 0.0015244 k( 102) = ( 0.5000000 0.2934783 0.0000000), wk = 0.0015244 k( 103) = ( 0.5000000 0.3043478 0.0000000), wk = 0.0015244 k( 104) = ( 0.5000000 0.3152174 -0.0000000), wk = 0.0015244 k( 105) = ( 0.5000000 0.3260870 -0.0000000), wk = 0.0015244 k( 106) = ( 0.5000000 0.3369565 0.0000000), wk = 0.0015244 k( 107) = ( 0.5000000 0.3478261 -0.0000000), wk = 0.0015244 k( 108) = ( 0.5000000 0.3586956 -0.0000000), wk = 0.0015244 k( 109) = ( 0.5000000 0.3695652 0.0000000), wk = 0.0015244 k( 110) = ( 0.5000000 0.3804348 -0.0000000), wk = 0.0015244 k( 111) = ( 0.5000000 0.3913044 0.0000000), wk = 0.0015244 k( 112) = ( 0.5000000 0.4021739 0.0000000), wk = 0.0015244 k( 113) = ( 0.5000000 0.4130435 -0.0000000), wk = 0.0015244 k( 114) = ( 0.5000000 0.4239130 0.0000000), wk = 0.0015244 k( 115) = ( 0.5000000 0.4347826 -0.0000000), wk = 0.0015244 k( 116) = ( 0.5000000 0.4456522 0.0000000), wk = 0.0015244 k( 117) = ( 0.5000000 0.4565217 -0.0000000), wk = 0.0015244 k( 118) = ( 0.5000000 0.4673913 -0.0000000), wk = 0.0015244 k( 119) = ( 0.5000000 0.4782609 0.0000000), wk = 0.0015244 k( 120) = ( 0.5000000 0.4891304 0.0000000), wk = 0.0015244 k( 121) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0015244 k( 122) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0015244 k( 123) = ( 0.4931507 0.5000000 0.0000000), wk = 0.0015244 k( 124) = ( 0.4863014 0.5000000 0.0000000), wk = 0.0015244 k( 125) = ( 0.4794521 0.5000000 -0.0000000), wk = 0.0015244 k( 126) = ( 0.4726027 0.5000000 -0.0000000), wk = 0.0015244 k( 127) = ( 0.4657534 0.5000000 -0.0000000), wk = 0.0015244 k( 128) = ( 0.4589041 0.5000000 -0.0000000), wk = 0.0015244 k( 129) = ( 0.4520548 0.5000000 0.0000000), wk = 0.0015244 k( 130) = ( 0.4452055 0.5000000 0.0000000), wk = 0.0015244 k( 131) = ( 0.4383562 0.5000000 -0.0000000), wk = 0.0015244 k( 132) = ( 0.4315068 0.5000000 -0.0000000), wk = 0.0015244 k( 133) = ( 0.4246575 0.5000000 0.0000000), wk = 0.0015244 k( 134) = ( 0.4178082 0.5000000 0.0000000), wk = 0.0015244 k( 135) = ( 0.4109589 0.5000000 -0.0000000), wk = 0.0015244 k( 136) = ( 0.4041096 0.5000000 0.0000000), wk = 0.0015244 k( 137) = ( 0.3972603 0.5000000 0.0000000), wk = 0.0015244 k( 138) = ( 0.3904110 0.5000000 0.0000000), wk = 0.0015244 k( 139) = ( 0.3835616 0.5000000 0.0000000), wk = 0.0015244 k( 140) = ( 0.3767123 0.5000000 0.0000000), wk = 0.0015244 k( 141) = ( 0.3698630 0.5000000 -0.0000000), wk = 0.0015244 k( 142) = ( 0.3630137 0.5000000 -0.0000000), wk = 0.0015244 k( 143) = ( 0.3561644 0.5000000 -0.0000000), wk = 0.0015244 k( 144) = ( 0.3493151 0.5000000 -0.0000000), wk = 0.0015244 k( 145) = ( 0.3424658 0.5000000 0.0000000), wk = 0.0015244 k( 146) = ( 0.3356164 0.5000000 0.0000000), wk = 0.0015244 k( 147) = ( 0.3287671 0.5000000 -0.0000000), wk = 0.0015244 k( 148) = ( 0.3219178 0.5000000 -0.0000000), wk = 0.0015244 k( 149) = ( 0.3150685 0.5000000 0.0000000), wk = 0.0015244 k( 150) = ( 0.3082192 0.5000000 0.0000000), wk = 0.0015244 k( 151) = ( 0.3013699 0.5000000 0.0000000), wk = 0.0015244 k( 152) = ( 0.2945205 0.5000000 0.0000000), wk = 0.0015244 k( 153) = ( 0.2876712 0.5000000 -0.0000000), wk = 0.0015244 k( 154) = ( 0.2808219 0.5000000 -0.0000000), wk = 0.0015244 k( 155) = ( 0.2739726 0.5000000 0.0000000), wk = 0.0015244 k( 156) = ( 0.2671233 0.5000000 -0.0000000), wk = 0.0015244 k( 157) = ( 0.2602740 0.5000000 0.0000000), wk = 0.0015244 k( 158) = ( 0.2534247 0.5000000 0.0000000), wk = 0.0015244 k( 159) = ( 0.2465753 0.5000000 0.0000000), wk = 0.0015244 k( 160) = ( 0.2397260 0.5000000 0.0000000), wk = 0.0015244 k( 161) = ( 0.2328767 0.5000000 0.0000000), wk = 0.0015244 k( 162) = ( 0.2260274 0.5000000 0.0000000), wk = 0.0015244 k( 163) = ( 0.2191781 0.5000000 0.0000000), wk = 0.0015244 k( 164) = ( 0.2123288 0.5000000 0.0000000), wk = 0.0015244 k( 165) = ( 0.2054795 0.5000000 -0.0000000), wk = 0.0015244 k( 166) = ( 0.1986301 0.5000000 -0.0000000), wk = 0.0015244 k( 167) = ( 0.1917808 0.5000000 -0.0000000), wk = 0.0015244 k( 168) = ( 0.1849315 0.5000000 0.0000000), wk = 0.0015244 k( 169) = ( 0.1780822 0.5000000 0.0000000), wk = 0.0015244 k( 170) = ( 0.1712329 0.5000000 0.0000000), wk = 0.0015244 k( 171) = ( 0.1643836 0.5000000 0.0000000), wk = 0.0015244 k( 172) = ( 0.1575342 0.5000000 0.0000000), wk = 0.0015244 k( 173) = ( 0.1506849 0.5000000 -0.0000000), wk = 0.0015244 k( 174) = ( 0.1438356 0.5000000 -0.0000000), wk = 0.0015244 k( 175) = ( 0.1369863 0.5000000 0.0000000), wk = 0.0015244 k( 176) = ( 0.1301370 0.5000000 0.0000000), wk = 0.0015244 k( 177) = ( 0.1232877 0.5000000 0.0000000), wk = 0.0015244 k( 178) = ( 0.1164384 0.5000000 0.0000000), wk = 0.0015244 k( 179) = ( 0.1095890 0.5000000 0.0000000), wk = 0.0015244 k( 180) = ( 0.1027397 0.5000000 0.0000000), wk = 0.0015244 k( 181) = ( 0.0958904 0.5000000 -0.0000000), wk = 0.0015244 k( 182) = ( 0.0890411 0.5000000 -0.0000000), wk = 0.0015244 k( 183) = ( 0.0821918 0.5000000 0.0000000), wk = 0.0015244 k( 184) = ( 0.0753425 0.5000000 0.0000000), wk = 0.0015244 k( 185) = ( 0.0684932 0.5000000 -0.0000000), wk = 0.0015244 k( 186) = ( 0.0616438 0.5000000 -0.0000000), wk = 0.0015244 k( 187) = ( 0.0547945 0.5000000 0.0000000), wk = 0.0015244 k( 188) = ( 0.0479452 0.5000000 0.0000000), wk = 0.0015244 k( 189) = ( 0.0410959 0.5000000 -0.0000000), wk = 0.0015244 k( 190) = ( 0.0342466 0.5000000 -0.0000000), wk = 0.0015244 k( 191) = ( 0.0273973 0.5000000 0.0000000), wk = 0.0015244 k( 192) = ( 0.0205479 0.5000000 0.0000000), wk = 0.0015244 k( 193) = ( 0.0136986 0.5000000 -0.0000000), wk = 0.0015244 k( 194) = ( 0.0068493 0.5000000 -0.0000000), wk = 0.0015244 k( 195) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0015244 k( 196) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0015244 k( 197) = ( 0.0000000 0.4891304 -0.0000000), wk = 0.0015244 k( 198) = ( 0.0000000 0.4782609 -0.0000000), wk = 0.0015244 k( 199) = ( 0.0000000 0.4673913 -0.0000000), wk = 0.0015244 k( 200) = ( 0.0000000 0.4565217 -0.0000000), wk = 0.0015244 k( 201) = ( 0.0000000 0.4456522 -0.0000000), wk = 0.0015244 k( 202) = ( 0.0000000 0.4347826 -0.0000000), wk = 0.0015244 k( 203) = ( 0.0000000 0.4239130 -0.0000000), wk = 0.0015244 k( 204) = ( 0.0000000 0.4130435 -0.0000000), wk = 0.0015244 k( 205) = ( 0.0000000 0.4021739 -0.0000000), wk = 0.0015244 k( 206) = ( 0.0000000 0.3913044 -0.0000000), wk = 0.0015244 k( 207) = ( 0.0000000 0.3804348 -0.0000000), wk = 0.0015244 k( 208) = ( 0.0000000 0.3695652 -0.0000000), wk = 0.0015244 k( 209) = ( 0.0000000 0.3586956 -0.0000000), wk = 0.0015244 k( 210) = ( 0.0000000 0.3478261 -0.0000000), wk = 0.0015244 k( 211) = ( 0.0000000 0.3369565 0.0000000), wk = 0.0015244 k( 212) = ( 0.0000000 0.3260870 -0.0000000), wk = 0.0015244 k( 213) = ( 0.0000000 0.3152174 0.0000000), wk = 0.0015244 k( 214) = ( 0.0000000 0.3043478 0.0000000), wk = 0.0015244 k( 215) = ( 0.0000000 0.2934783 0.0000000), wk = 0.0015244 k( 216) = ( 0.0000000 0.2826087 0.0000000), wk = 0.0015244 k( 217) = ( 0.0000000 0.2717391 -0.0000000), wk = 0.0015244 k( 218) = ( 0.0000000 0.2608696 0.0000000), wk = 0.0015244 k( 219) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0015244 k( 220) = ( 0.0000000 0.2391304 -0.0000000), wk = 0.0015244 k( 221) = ( 0.0000000 0.2282609 -0.0000000), wk = 0.0015244 k( 222) = ( 0.0000000 0.2173913 -0.0000000), wk = 0.0015244 k( 223) = ( 0.0000000 0.2065217 -0.0000000), wk = 0.0015244 k( 224) = ( 0.0000000 0.1956522 -0.0000000), wk = 0.0015244 k( 225) = ( 0.0000000 0.1847826 -0.0000000), wk = 0.0015244 k( 226) = ( 0.0000000 0.1739130 -0.0000000), wk = 0.0015244 k( 227) = ( 0.0000000 0.1630435 -0.0000000), wk = 0.0015244 k( 228) = ( 0.0000000 0.1521739 0.0000000), wk = 0.0015244 k( 229) = ( 0.0000000 0.1413043 0.0000000), wk = 0.0015244 k( 230) = ( 0.0000000 0.1304348 0.0000000), wk = 0.0015244 k( 231) = ( 0.0000000 0.1195652 -0.0000000), wk = 0.0015244 k( 232) = ( 0.0000000 0.1086957 -0.0000000), wk = 0.0015244 k( 233) = ( 0.0000000 0.0978261 -0.0000000), wk = 0.0015244 k( 234) = ( 0.0000000 0.0869565 -0.0000000), wk = 0.0015244 k( 235) = ( 0.0000000 0.0760870 0.0000000), wk = 0.0015244 k( 236) = ( 0.0000000 0.0652174 0.0000000), wk = 0.0015244 k( 237) = ( 0.0000000 0.0543478 0.0000000), wk = 0.0015244 k( 238) = ( 0.0000000 0.0434783 -0.0000000), wk = 0.0015244 k( 239) = ( 0.0000000 0.0326087 -0.0000000), wk = 0.0015244 k( 240) = ( 0.0000000 0.0217391 -0.0000000), wk = 0.0015244 k( 241) = ( 0.0000000 0.0108696 0.0000000), wk = 0.0015244 k( 242) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0015244 k( 243) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0015244 k( 244) = ( 0.0000000 0.0000000 0.0119048), wk = 0.0015244 k( 245) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0015244 k( 246) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0015244 k( 247) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0015244 k( 248) = ( 0.0000000 0.0000000 0.0595238), wk = 0.0015244 k( 249) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0015244 k( 250) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0015244 k( 251) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0015244 k( 252) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0015244 k( 253) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0015244 k( 254) = ( 0.0000000 0.0000000 0.1309524), wk = 0.0015244 k( 255) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0015244 k( 256) = ( 0.0000000 0.0000000 0.1547619), wk = 0.0015244 k( 257) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0015244 k( 258) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0015244 k( 259) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0015244 k( 260) = ( 0.0000000 0.0000000 0.2023810), wk = 0.0015244 k( 261) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0015244 k( 262) = ( 0.0000000 0.0000000 0.2261905), wk = 0.0015244 k( 263) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0015244 k( 264) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0015244 k( 265) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0015244 k( 266) = ( 0.0000000 0.0000000 0.2738095), wk = 0.0015244 k( 267) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0015244 k( 268) = ( 0.0000000 0.0000000 0.2976191), wk = 0.0015244 k( 269) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0015244 k( 270) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0015244 k( 271) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0015244 k( 272) = ( 0.0000000 0.0000000 0.3452381), wk = 0.0015244 k( 273) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0015244 k( 274) = ( 0.0000000 0.0000000 0.3690476), wk = 0.0015244 k( 275) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0015244 k( 276) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0015244 k( 277) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0015244 k( 278) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0015244 k( 279) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0015244 k( 280) = ( 0.0000000 0.0000000 0.4404762), wk = 0.0015244 k( 281) = ( 0.0000000 0.0000000 0.4523810), wk = 0.0015244 k( 282) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0015244 k( 283) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0015244 k( 284) = ( 0.0000000 0.0000000 0.4880952), wk = 0.0015244 k( 285) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0015244 k( 286) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0015244 k( 287) = ( 0.0068493 -0.0000000 0.5000000), wk = 0.0015244 k( 288) = ( 0.0136986 0.0000000 0.5000000), wk = 0.0015244 k( 289) = ( 0.0205479 -0.0000000 0.5000000), wk = 0.0015244 k( 290) = ( 0.0273973 0.0000000 0.5000000), wk = 0.0015244 k( 291) = ( 0.0342466 -0.0000000 0.5000000), wk = 0.0015244 k( 292) = ( 0.0410959 -0.0000000 0.5000000), wk = 0.0015244 k( 293) = ( 0.0479452 -0.0000000 0.5000000), wk = 0.0015244 k( 294) = ( 0.0547945 0.0000000 0.5000000), wk = 0.0015244 k( 295) = ( 0.0616438 -0.0000000 0.5000000), wk = 0.0015244 k( 296) = ( 0.0684932 -0.0000000 0.5000000), wk = 0.0015244 k( 297) = ( 0.0753425 -0.0000000 0.5000000), wk = 0.0015244 k( 298) = ( 0.0821918 -0.0000000 0.5000000), wk = 0.0015244 k( 299) = ( 0.0890411 -0.0000000 0.5000000), wk = 0.0015244 k( 300) = ( 0.0958904 0.0000000 0.5000000), wk = 0.0015244 k( 301) = ( 0.1027397 -0.0000000 0.5000000), wk = 0.0015244 k( 302) = ( 0.1095890 0.0000000 0.5000000), wk = 0.0015244 k( 303) = ( 0.1164384 -0.0000000 0.5000000), wk = 0.0015244 k( 304) = ( 0.1232877 0.0000000 0.5000000), wk = 0.0015244 k( 305) = ( 0.1301370 -0.0000000 0.5000000), wk = 0.0015244 k( 306) = ( 0.1369863 -0.0000000 0.5000000), wk = 0.0015244 k( 307) = ( 0.1438356 -0.0000000 0.5000000), wk = 0.0015244 k( 308) = ( 0.1506849 0.0000000 0.5000000), wk = 0.0015244 k( 309) = ( 0.1575342 -0.0000000 0.5000000), wk = 0.0015244 k( 310) = ( 0.1643836 -0.0000000 0.5000000), wk = 0.0015244 k( 311) = ( 0.1712329 -0.0000000 0.5000000), wk = 0.0015244 k( 312) = ( 0.1780822 0.0000000 0.5000000), wk = 0.0015244 k( 313) = ( 0.1849315 -0.0000000 0.5000000), wk = 0.0015244 k( 314) = ( 0.1917808 0.0000000 0.5000000), wk = 0.0015244 k( 315) = ( 0.1986301 -0.0000000 0.5000000), wk = 0.0015244 k( 316) = ( 0.2054795 -0.0000000 0.5000000), wk = 0.0015244 k( 317) = ( 0.2123288 -0.0000000 0.5000000), wk = 0.0015244 k( 318) = ( 0.2191781 0.0000000 0.5000000), wk = 0.0015244 k( 319) = ( 0.2260274 -0.0000000 0.5000000), wk = 0.0015244 k( 320) = ( 0.2328767 0.0000000 0.5000000), wk = 0.0015244 k( 321) = ( 0.2397260 -0.0000000 0.5000000), wk = 0.0015244 k( 322) = ( 0.2465753 0.0000000 0.5000000), wk = 0.0015244 k( 323) = ( 0.2534247 -0.0000000 0.5000000), wk = 0.0015244 k( 324) = ( 0.2602740 -0.0000000 0.5000000), wk = 0.0015244 k( 325) = ( 0.2671233 -0.0000000 0.5000000), wk = 0.0015244 k( 326) = ( 0.2739726 -0.0000000 0.5000000), wk = 0.0015244 k( 327) = ( 0.2808219 -0.0000000 0.5000000), wk = 0.0015244 k( 328) = ( 0.2876712 -0.0000000 0.5000000), wk = 0.0015244 k( 329) = ( 0.2945205 0.0000000 0.5000000), wk = 0.0015244 k( 330) = ( 0.3013699 0.0000000 0.5000000), wk = 0.0015244 k( 331) = ( 0.3082192 -0.0000000 0.5000000), wk = 0.0015244 k( 332) = ( 0.3150685 -0.0000000 0.5000000), wk = 0.0015244 k( 333) = ( 0.3219178 -0.0000000 0.5000000), wk = 0.0015244 k( 334) = ( 0.3287671 -0.0000000 0.5000000), wk = 0.0015244 k( 335) = ( 0.3356164 -0.0000000 0.5000000), wk = 0.0015244 k( 336) = ( 0.3424658 -0.0000000 0.5000000), wk = 0.0015244 k( 337) = ( 0.3493151 -0.0000000 0.5000000), wk = 0.0015244 k( 338) = ( 0.3561644 0.0000000 0.5000000), wk = 0.0015244 k( 339) = ( 0.3630137 0.0000000 0.5000000), wk = 0.0015244 k( 340) = ( 0.3698630 -0.0000000 0.5000000), wk = 0.0015244 k( 341) = ( 0.3767123 -0.0000000 0.5000000), wk = 0.0015244 k( 342) = ( 0.3835616 0.0000000 0.5000000), wk = 0.0015244 k( 343) = ( 0.3904110 0.0000000 0.5000000), wk = 0.0015244 k( 344) = ( 0.3972603 -0.0000000 0.5000000), wk = 0.0015244 k( 345) = ( 0.4041096 0.0000000 0.5000000), wk = 0.0015244 k( 346) = ( 0.4109589 -0.0000000 0.5000000), wk = 0.0015244 k( 347) = ( 0.4178082 -0.0000000 0.5000000), wk = 0.0015244 k( 348) = ( 0.4246575 -0.0000000 0.5000000), wk = 0.0015244 k( 349) = ( 0.4315068 -0.0000000 0.5000000), wk = 0.0015244 k( 350) = ( 0.4383562 0.0000000 0.5000000), wk = 0.0015244 k( 351) = ( 0.4452055 0.0000000 0.5000000), wk = 0.0015244 k( 352) = ( 0.4520548 -0.0000000 0.5000000), wk = 0.0015244 k( 353) = ( 0.4589041 -0.0000000 0.5000000), wk = 0.0015244 k( 354) = ( 0.4657534 0.0000000 0.5000000), wk = 0.0015244 k( 355) = ( 0.4726027 -0.0000000 0.5000000), wk = 0.0015244 k( 356) = ( 0.4794521 -0.0000000 0.5000000), wk = 0.0015244 k( 357) = ( 0.4863014 0.0000000 0.5000000), wk = 0.0015244 k( 358) = ( 0.4931507 0.0000000 0.5000000), wk = 0.0015244 k( 359) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0015244 k( 360) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0015244 k( 361) = ( 0.5000000 0.0108696 0.5000000), wk = 0.0015244 k( 362) = ( 0.5000000 0.0217391 0.5000000), wk = 0.0015244 k( 363) = ( 0.5000000 0.0326087 0.5000000), wk = 0.0015244 k( 364) = ( 0.5000000 0.0434783 0.5000000), wk = 0.0015244 k( 365) = ( 0.5000000 0.0543478 0.5000000), wk = 0.0015244 k( 366) = ( 0.5000000 0.0652174 0.5000000), wk = 0.0015244 k( 367) = ( 0.5000000 0.0760870 0.5000000), wk = 0.0015244 k( 368) = ( 0.5000000 0.0869565 0.5000000), wk = 0.0015244 k( 369) = ( 0.5000000 0.0978261 0.5000000), wk = 0.0015244 k( 370) = ( 0.5000000 0.1086957 0.5000000), wk = 0.0015244 k( 371) = ( 0.5000000 0.1195652 0.5000000), wk = 0.0015244 k( 372) = ( 0.5000000 0.1304348 0.5000000), wk = 0.0015244 k( 373) = ( 0.5000000 0.1413043 0.5000000), wk = 0.0015244 k( 374) = ( 0.5000000 0.1521739 0.5000000), wk = 0.0015244 k( 375) = ( 0.5000000 0.1630435 0.5000000), wk = 0.0015244 k( 376) = ( 0.5000000 0.1739130 0.5000000), wk = 0.0015244 k( 377) = ( 0.5000000 0.1847826 0.5000000), wk = 0.0015244 k( 378) = ( 0.5000000 0.1956522 0.5000000), wk = 0.0015244 k( 379) = ( 0.5000000 0.2065217 0.5000000), wk = 0.0015244 k( 380) = ( 0.5000000 0.2173913 0.5000000), wk = 0.0015244 k( 381) = ( 0.5000000 0.2282609 0.5000000), wk = 0.0015244 k( 382) = ( 0.5000000 0.2391304 0.5000000), wk = 0.0015244 k( 383) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0015244 k( 384) = ( 0.5000000 0.2608696 0.5000000), wk = 0.0015244 k( 385) = ( 0.5000000 0.2717391 0.5000000), wk = 0.0015244 k( 386) = ( 0.5000000 0.2826087 0.5000000), wk = 0.0015244 k( 387) = ( 0.5000000 0.2934783 0.5000000), wk = 0.0015244 k( 388) = ( 0.5000000 0.3043478 0.5000000), wk = 0.0015244 k( 389) = ( 0.5000000 0.3152174 0.5000000), wk = 0.0015244 k( 390) = ( 0.5000000 0.3260870 0.5000000), wk = 0.0015244 k( 391) = ( 0.5000000 0.3369565 0.5000000), wk = 0.0015244 k( 392) = ( 0.5000000 0.3478261 0.5000000), wk = 0.0015244 k( 393) = ( 0.5000000 0.3586956 0.5000000), wk = 0.0015244 k( 394) = ( 0.5000000 0.3695652 0.5000000), wk = 0.0015244 k( 395) = ( 0.5000000 0.3804348 0.5000000), wk = 0.0015244 k( 396) = ( 0.5000000 0.3913044 0.5000000), wk = 0.0015244 k( 397) = ( 0.5000000 0.4021739 0.5000000), wk = 0.0015244 k( 398) = ( 0.5000000 0.4130435 0.5000000), wk = 0.0015244 k( 399) = ( 0.5000000 0.4239130 0.5000000), wk = 0.0015244 k( 400) = ( 0.5000000 0.4347826 0.5000000), wk = 0.0015244 k( 401) = ( 0.5000000 0.4456522 0.5000000), wk = 0.0015244 k( 402) = ( 0.5000000 0.4565217 0.5000000), wk = 0.0015244 k( 403) = ( 0.5000000 0.4673913 0.5000000), wk = 0.0015244 k( 404) = ( 0.5000000 0.4782609 0.5000000), wk = 0.0015244 k( 405) = ( 0.5000000 0.4891304 0.5000000), wk = 0.0015244 k( 406) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0015244 k( 407) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0015244 k( 408) = ( 0.4931507 0.5000000 0.5000000), wk = 0.0015244 k( 409) = ( 0.4863014 0.5000000 0.5000000), wk = 0.0015244 k( 410) = ( 0.4794521 0.5000000 0.5000000), wk = 0.0015244 k( 411) = ( 0.4726027 0.5000000 0.5000000), wk = 0.0015244 k( 412) = ( 0.4657534 0.5000000 0.5000000), wk = 0.0015244 k( 413) = ( 0.4589041 0.5000000 0.5000000), wk = 0.0015244 k( 414) = ( 0.4520548 0.5000000 0.5000000), wk = 0.0015244 k( 415) = ( 0.4452055 0.5000000 0.5000000), wk = 0.0015244 k( 416) = ( 0.4383562 0.5000000 0.5000000), wk = 0.0015244 k( 417) = ( 0.4315068 0.5000000 0.5000000), wk = 0.0015244 k( 418) = ( 0.4246575 0.5000000 0.5000000), wk = 0.0015244 k( 419) = ( 0.4178082 0.5000000 0.5000000), wk = 0.0015244 k( 420) = ( 0.4109589 0.5000000 0.5000000), wk = 0.0015244 k( 421) = ( 0.4041096 0.5000000 0.5000000), wk = 0.0015244 k( 422) = ( 0.3972603 0.5000000 0.5000000), wk = 0.0015244 k( 423) = ( 0.3904110 0.5000000 0.5000000), wk = 0.0015244 k( 424) = ( 0.3835616 0.5000000 0.5000000), wk = 0.0015244 k( 425) = ( 0.3767123 0.5000000 0.5000000), wk = 0.0015244 k( 426) = ( 0.3698630 0.5000000 0.5000000), wk = 0.0015244 k( 427) = ( 0.3630137 0.5000000 0.5000000), wk = 0.0015244 k( 428) = ( 0.3561644 0.5000000 0.5000000), wk = 0.0015244 k( 429) = ( 0.3493151 0.5000000 0.5000000), wk = 0.0015244 k( 430) = ( 0.3424658 0.5000000 0.5000000), wk = 0.0015244 k( 431) = ( 0.3356164 0.5000000 0.5000000), wk = 0.0015244 k( 432) = ( 0.3287671 0.5000000 0.5000000), wk = 0.0015244 k( 433) = ( 0.3219178 0.5000000 0.5000000), wk = 0.0015244 k( 434) = ( 0.3150685 0.5000000 0.5000000), wk = 0.0015244 k( 435) = ( 0.3082192 0.5000000 0.5000000), wk = 0.0015244 k( 436) = ( 0.3013699 0.5000000 0.5000000), wk = 0.0015244 k( 437) = ( 0.2945205 0.5000000 0.5000000), wk = 0.0015244 k( 438) = ( 0.2876712 0.5000000 0.5000000), wk = 0.0015244 k( 439) = ( 0.2808219 0.5000000 0.5000000), wk = 0.0015244 k( 440) = ( 0.2739726 0.5000000 0.5000000), wk = 0.0015244 k( 441) = ( 0.2671233 0.5000000 0.5000000), wk = 0.0015244 k( 442) = ( 0.2602740 0.5000000 0.5000000), wk = 0.0015244 k( 443) = ( 0.2534247 0.5000000 0.5000000), wk = 0.0015244 k( 444) = ( 0.2465753 0.5000000 0.5000000), wk = 0.0015244 k( 445) = ( 0.2397260 0.5000000 0.5000000), wk = 0.0015244 k( 446) = ( 0.2328767 0.5000000 0.5000000), wk = 0.0015244 k( 447) = ( 0.2260274 0.5000000 0.5000000), wk = 0.0015244 k( 448) = ( 0.2191781 0.5000000 0.5000000), wk = 0.0015244 k( 449) = ( 0.2123288 0.5000000 0.5000000), wk = 0.0015244 k( 450) = ( 0.2054795 0.5000000 0.5000000), wk = 0.0015244 k( 451) = ( 0.1986301 0.5000000 0.5000000), wk = 0.0015244 k( 452) = ( 0.1917808 0.5000000 0.5000000), wk = 0.0015244 k( 453) = ( 0.1849315 0.5000000 0.5000000), wk = 0.0015244 k( 454) = ( 0.1780822 0.5000000 0.5000000), wk = 0.0015244 k( 455) = ( 0.1712329 0.5000000 0.5000000), wk = 0.0015244 k( 456) = ( 0.1643836 0.5000000 0.5000000), wk = 0.0015244 k( 457) = ( 0.1575342 0.5000000 0.5000000), wk = 0.0015244 k( 458) = ( 0.1506849 0.5000000 0.5000000), wk = 0.0015244 k( 459) = ( 0.1438356 0.5000000 0.5000000), wk = 0.0015244 k( 460) = ( 0.1369863 0.5000000 0.5000000), wk = 0.0015244 k( 461) = ( 0.1301370 0.5000000 0.5000000), wk = 0.0015244 k( 462) = ( 0.1232877 0.5000000 0.5000000), wk = 0.0015244 k( 463) = ( 0.1164384 0.5000000 0.5000000), wk = 0.0015244 k( 464) = ( 0.1095890 0.5000000 0.5000000), wk = 0.0015244 k( 465) = ( 0.1027397 0.5000000 0.5000000), wk = 0.0015244 k( 466) = ( 0.0958904 0.5000000 0.5000000), wk = 0.0015244 k( 467) = ( 0.0890411 0.5000000 0.5000000), wk = 0.0015244 k( 468) = ( 0.0821918 0.5000000 0.5000000), wk = 0.0015244 k( 469) = ( 0.0753425 0.5000000 0.5000000), wk = 0.0015244 k( 470) = ( 0.0684932 0.5000000 0.5000000), wk = 0.0015244 k( 471) = ( 0.0616438 0.5000000 0.5000000), wk = 0.0015244 k( 472) = ( 0.0547945 0.5000000 0.5000000), wk = 0.0015244 k( 473) = ( 0.0479452 0.5000000 0.5000000), wk = 0.0015244 k( 474) = ( 0.0410959 0.5000000 0.5000000), wk = 0.0015244 k( 475) = ( 0.0342466 0.5000000 0.5000000), wk = 0.0015244 k( 476) = ( 0.0273973 0.5000000 0.5000000), wk = 0.0015244 k( 477) = ( 0.0205479 0.5000000 0.5000000), wk = 0.0015244 k( 478) = ( 0.0136986 0.5000000 0.5000000), wk = 0.0015244 k( 479) = ( 0.0068493 0.5000000 0.5000000), wk = 0.0015244 k( 480) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0015244 k( 481) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0015244 k( 482) = ( 0.0000000 0.4891304 0.5000000), wk = 0.0015244 k( 483) = ( 0.0000000 0.4782609 0.5000000), wk = 0.0015244 k( 484) = ( 0.0000000 0.4673913 0.5000000), wk = 0.0015244 k( 485) = ( 0.0000000 0.4565217 0.5000000), wk = 0.0015244 k( 486) = ( 0.0000000 0.4456522 0.5000000), wk = 0.0015244 k( 487) = ( 0.0000000 0.4347826 0.5000000), wk = 0.0015244 k( 488) = ( 0.0000000 0.4239130 0.5000000), wk = 0.0015244 k( 489) = ( 0.0000000 0.4130435 0.5000000), wk = 0.0015244 k( 490) = ( 0.0000000 0.4021739 0.5000000), wk = 0.0015244 k( 491) = ( 0.0000000 0.3913044 0.5000000), wk = 0.0015244 k( 492) = ( 0.0000000 0.3804348 0.5000000), wk = 0.0015244 k( 493) = ( 0.0000000 0.3695652 0.5000000), wk = 0.0015244 k( 494) = ( 0.0000000 0.3586956 0.5000000), wk = 0.0015244 k( 495) = ( 0.0000000 0.3478261 0.5000000), wk = 0.0015244 k( 496) = ( 0.0000000 0.3369565 0.5000000), wk = 0.0015244 k( 497) = ( 0.0000000 0.3260870 0.5000000), wk = 0.0015244 k( 498) = ( 0.0000000 0.3152174 0.5000000), wk = 0.0015244 k( 499) = ( 0.0000000 0.3043478 0.5000000), wk = 0.0015244 k( 500) = ( 0.0000000 0.2934783 0.5000000), wk = 0.0015244 k( 501) = ( 0.0000000 0.2826087 0.5000000), wk = 0.0015244 k( 502) = ( 0.0000000 0.2717391 0.5000000), wk = 0.0015244 k( 503) = ( 0.0000000 0.2608696 0.5000000), wk = 0.0015244 k( 504) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0015244 k( 505) = ( 0.0000000 0.2391304 0.5000000), wk = 0.0015244 k( 506) = ( 0.0000000 0.2282609 0.5000000), wk = 0.0015244 k( 507) = ( 0.0000000 0.2173913 0.5000000), wk = 0.0015244 k( 508) = ( 0.0000000 0.2065217 0.5000000), wk = 0.0015244 k( 509) = ( 0.0000000 0.1956522 0.5000000), wk = 0.0015244 k( 510) = ( 0.0000000 0.1847826 0.5000000), wk = 0.0015244 k( 511) = ( 0.0000000 0.1739130 0.5000000), wk = 0.0015244 k( 512) = ( 0.0000000 0.1630435 0.5000000), wk = 0.0015244 k( 513) = ( 0.0000000 0.1521739 0.5000000), wk = 0.0015244 k( 514) = ( 0.0000000 0.1413043 0.5000000), wk = 0.0015244 k( 515) = ( 0.0000000 0.1304348 0.5000000), wk = 0.0015244 k( 516) = ( 0.0000000 0.1195652 0.5000000), wk = 0.0015244 k( 517) = ( 0.0000000 0.1086957 0.5000000), wk = 0.0015244 k( 518) = ( 0.0000000 0.0978261 0.5000000), wk = 0.0015244 k( 519) = ( 0.0000000 0.0869565 0.5000000), wk = 0.0015244 k( 520) = ( 0.0000000 0.0760870 0.5000000), wk = 0.0015244 k( 521) = ( 0.0000000 0.0652174 0.5000000), wk = 0.0015244 k( 522) = ( 0.0000000 0.0543478 0.5000000), wk = 0.0015244 k( 523) = ( 0.0000000 0.0434783 0.5000000), wk = 0.0015244 k( 524) = ( 0.0000000 0.0326087 0.5000000), wk = 0.0015244 k( 525) = ( 0.0000000 0.0217391 0.5000000), wk = 0.0015244 k( 526) = ( 0.0000000 0.0108696 0.5000000), wk = 0.0015244 k( 527) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0015244 k( 528) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0015244 k( 529) = ( 0.0000000 0.5000000 0.0119048), wk = 0.0015244 k( 530) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0015244 k( 531) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0015244 k( 532) = ( 0.0000000 0.5000000 0.0476191), wk = 0.0015244 k( 533) = ( 0.0000000 0.5000000 0.0595238), wk = 0.0015244 k( 534) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0015244 k( 535) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0015244 k( 536) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0015244 k( 537) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0015244 k( 538) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0015244 k( 539) = ( 0.0000000 0.5000000 0.1309524), wk = 0.0015244 k( 540) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0015244 k( 541) = ( 0.0000000 0.5000000 0.1547619), wk = 0.0015244 k( 542) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0015244 k( 543) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0015244 k( 544) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0015244 k( 545) = ( 0.0000000 0.5000000 0.2023810), wk = 0.0015244 k( 546) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0015244 k( 547) = ( 0.0000000 0.5000000 0.2261905), wk = 0.0015244 k( 548) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0015244 k( 549) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0015244 k( 550) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0015244 k( 551) = ( 0.0000000 0.5000000 0.2738095), wk = 0.0015244 k( 552) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0015244 k( 553) = ( 0.0000000 0.5000000 0.2976191), wk = 0.0015244 k( 554) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0015244 k( 555) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0015244 k( 556) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0015244 k( 557) = ( 0.0000000 0.5000000 0.3452381), wk = 0.0015244 k( 558) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0015244 k( 559) = ( 0.0000000 0.5000000 0.3690476), wk = 0.0015244 k( 560) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0015244 k( 561) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0015244 k( 562) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0015244 k( 563) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0015244 k( 564) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0015244 k( 565) = ( 0.0000000 0.5000000 0.4404762), wk = 0.0015244 k( 566) = ( 0.0000000 0.5000000 0.4523810), wk = 0.0015244 k( 567) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0015244 k( 568) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0015244 k( 569) = ( 0.0000000 0.5000000 0.4880952), wk = 0.0015244 k( 570) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0015244 k( 571) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0015244 k( 572) = ( 0.5000000 0.0000000 0.4880952), wk = 0.0015244 k( 573) = ( 0.5000000 0.0000000 0.4761905), wk = 0.0015244 k( 574) = ( 0.5000000 0.0000000 0.4642857), wk = 0.0015244 k( 575) = ( 0.5000000 0.0000000 0.4523810), wk = 0.0015244 k( 576) = ( 0.5000000 0.0000000 0.4404762), wk = 0.0015244 k( 577) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0015244 k( 578) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0015244 k( 579) = ( 0.5000000 0.0000000 0.4047619), wk = 0.0015244 k( 580) = ( 0.5000000 0.0000000 0.3928571), wk = 0.0015244 k( 581) = ( 0.5000000 0.0000000 0.3809524), wk = 0.0015244 k( 582) = ( 0.5000000 0.0000000 0.3690476), wk = 0.0015244 k( 583) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0015244 k( 584) = ( 0.5000000 0.0000000 0.3452381), wk = 0.0015244 k( 585) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0015244 k( 586) = ( 0.5000000 0.0000000 0.3214286), wk = 0.0015244 k( 587) = ( 0.5000000 0.0000000 0.3095238), wk = 0.0015244 k( 588) = ( 0.5000000 0.0000000 0.2976191), wk = 0.0015244 k( 589) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0015244 k( 590) = ( 0.5000000 0.0000000 0.2738095), wk = 0.0015244 k( 591) = ( 0.5000000 0.0000000 0.2619048), wk = 0.0015244 k( 592) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0015244 k( 593) = ( 0.5000000 0.0000000 0.2380952), wk = 0.0015244 k( 594) = ( 0.5000000 0.0000000 0.2261905), wk = 0.0015244 k( 595) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0015244 k( 596) = ( 0.5000000 0.0000000 0.2023810), wk = 0.0015244 k( 597) = ( 0.5000000 0.0000000 0.1904762), wk = 0.0015244 k( 598) = ( 0.5000000 0.0000000 0.1785714), wk = 0.0015244 k( 599) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0015244 k( 600) = ( 0.5000000 0.0000000 0.1547619), wk = 0.0015244 k( 601) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0015244 k( 602) = ( 0.5000000 0.0000000 0.1309524), wk = 0.0015244 k( 603) = ( 0.5000000 0.0000000 0.1190476), wk = 0.0015244 k( 604) = ( 0.5000000 0.0000000 0.1071429), wk = 0.0015244 k( 605) = ( 0.5000000 0.0000000 0.0952381), wk = 0.0015244 k( 606) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0015244 k( 607) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0015244 k( 608) = ( 0.5000000 0.0000000 0.0595238), wk = 0.0015244 k( 609) = ( 0.5000000 0.0000000 0.0476191), wk = 0.0015244 k( 610) = ( 0.5000000 0.0000000 0.0357143), wk = 0.0015244 k( 611) = ( 0.5000000 0.0000000 0.0238095), wk = 0.0015244 k( 612) = ( 0.5000000 0.0000000 0.0119048), wk = 0.0015244 k( 613) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0015244 k( 614) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0015244 k( 615) = ( 0.5000000 0.5000000 0.0119048), wk = 0.0015244 k( 616) = ( 0.5000000 0.5000000 0.0238095), wk = 0.0015244 k( 617) = ( 0.5000000 0.5000000 0.0357143), wk = 0.0015244 k( 618) = ( 0.5000000 0.5000000 0.0476191), wk = 0.0015244 k( 619) = ( 0.5000000 0.5000000 0.0595238), wk = 0.0015244 k( 620) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0015244 k( 621) = ( 0.5000000 0.5000000 0.0833333), wk = 0.0015244 k( 622) = ( 0.5000000 0.5000000 0.0952381), wk = 0.0015244 k( 623) = ( 0.5000000 0.5000000 0.1071429), wk = 0.0015244 k( 624) = ( 0.5000000 0.5000000 0.1190476), wk = 0.0015244 k( 625) = ( 0.5000000 0.5000000 0.1309524), wk = 0.0015244 k( 626) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0015244 k( 627) = ( 0.5000000 0.5000000 0.1547619), wk = 0.0015244 k( 628) = ( 0.5000000 0.5000000 0.1666667), wk = 0.0015244 k( 629) = ( 0.5000000 0.5000000 0.1785714), wk = 0.0015244 k( 630) = ( 0.5000000 0.5000000 0.1904762), wk = 0.0015244 k( 631) = ( 0.5000000 0.5000000 0.2023810), wk = 0.0015244 k( 632) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0015244 k( 633) = ( 0.5000000 0.5000000 0.2261905), wk = 0.0015244 k( 634) = ( 0.5000000 0.5000000 0.2380952), wk = 0.0015244 k( 635) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0015244 k( 636) = ( 0.5000000 0.5000000 0.2619048), wk = 0.0015244 k( 637) = ( 0.5000000 0.5000000 0.2738095), wk = 0.0015244 k( 638) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0015244 k( 639) = ( 0.5000000 0.5000000 0.2976191), wk = 0.0015244 k( 640) = ( 0.5000000 0.5000000 0.3095238), wk = 0.0015244 k( 641) = ( 0.5000000 0.5000000 0.3214286), wk = 0.0015244 k( 642) = ( 0.5000000 0.5000000 0.3333333), wk = 0.0015244 k( 643) = ( 0.5000000 0.5000000 0.3452381), wk = 0.0015244 k( 644) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0015244 k( 645) = ( 0.5000000 0.5000000 0.3690476), wk = 0.0015244 k( 646) = ( 0.5000000 0.5000000 0.3809524), wk = 0.0015244 k( 647) = ( 0.5000000 0.5000000 0.3928571), wk = 0.0015244 k( 648) = ( 0.5000000 0.5000000 0.4047619), wk = 0.0015244 k( 649) = ( 0.5000000 0.5000000 0.4166667), wk = 0.0015244 k( 650) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0015244 k( 651) = ( 0.5000000 0.5000000 0.4404762), wk = 0.0015244 k( 652) = ( 0.5000000 0.5000000 0.4523810), wk = 0.0015244 k( 653) = ( 0.5000000 0.5000000 0.4642857), wk = 0.0015244 k( 654) = ( 0.5000000 0.5000000 0.4761905), wk = 0.0015244 k( 655) = ( 0.5000000 0.5000000 0.4880952), wk = 0.0015244 k( 656) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0015244 Dense grid: 81405 G-vectors FFT dimensions: ( 40, 64, 72) Smooth grid: 18495 G-vectors FFT dimensions: ( 24, 40, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.05 Mb ( 146, 24) NL pseudopotentials 0.06 Mb ( 73, 56) Each V/rho on FFT grid 0.08 Mb ( 5120) Each G-vector array 0.02 Mb ( 2258) G-vector shells 0.01 Mb ( 1104) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.21 Mb ( 146, 96) Each subspace H/S matrix 0.01 Mb ( 24, 24) Each matrix 0.04 Mb ( 56, 2, 24) The potential is recalculated from file : ./Be.save/charge-density.dat Starting wfc are 40 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.3 secs Computing kpt #: 2 total cpu time spent up to now is 1.5 secs Computing kpt #: 3 total cpu time spent up to now is 1.7 secs Computing kpt #: 4 total cpu time spent up to now is 1.9 secs Computing kpt #: 5 total cpu time spent up to now is 2.2 secs Computing kpt #: 6 total cpu time spent up to now is 2.4 secs Computing kpt #: 7 total cpu time spent up to now is 2.6 secs Computing kpt #: 8 total cpu time spent up to now is 2.8 secs Computing kpt #: 9 total cpu time spent up to now is 3.1 secs Computing kpt #: 10 total cpu time spent up to now is 3.3 secs Computing kpt #: 11 total cpu time spent up to now is 3.5 secs Computing kpt #: 12 total cpu time spent up to now is 3.7 secs Computing kpt #: 13 total cpu time spent up to now is 4.0 secs Computing kpt #: 14 total cpu time spent up to now is 4.2 secs Computing kpt #: 15 total cpu time spent up to now is 4.4 secs Computing kpt #: 16 total cpu time spent up to now is 4.7 secs Computing kpt #: 17 total cpu time spent up to now is 4.9 secs Computing kpt #: 18 total cpu time spent up to now is 5.1 secs Computing kpt #: 19 total cpu time spent up to now is 5.4 secs Computing kpt #: 20 total cpu time spent up to now is 5.6 secs Computing kpt #: 21 total cpu time spent up to now is 5.9 secs Computing kpt #: 22 total cpu time spent up to now is 6.1 secs Computing kpt #: 23 total cpu time spent up to now is 6.4 secs Computing kpt #: 24 total cpu time spent up to now is 6.6 secs Computing kpt #: 25 total cpu time spent up to now is 6.8 secs Computing kpt #: 26 total cpu time spent up to now is 7.1 secs Computing kpt #: 27 total cpu time spent up to now is 7.3 secs Computing kpt #: 28 total cpu time spent up to now is 7.5 secs Computing kpt #: 29 total cpu time spent up to now is 7.7 secs Computing kpt #: 30 total cpu time spent up to now is 8.0 secs Computing kpt #: 31 total cpu time spent up to now is 8.2 secs Computing kpt #: 32 total cpu time spent up to now is 8.4 secs Computing kpt #: 33 total cpu time spent up to now is 8.6 secs Computing kpt #: 34 total cpu time spent up to now is 8.8 secs Computing kpt #: 35 total cpu time spent up to now is 9.0 secs Computing kpt #: 36 total cpu time spent up to now is 9.2 secs Computing kpt #: 37 total cpu time spent up to now is 9.4 secs Computing kpt #: 38 total cpu time spent up to now is 9.6 secs Computing kpt #: 39 total cpu time spent up to now is 9.9 secs Computing kpt #: 40 total cpu time spent up to now is 10.1 secs Computing kpt #: 41 total cpu time spent up to now is 10.3 secs Computing kpt #: 42 total cpu time spent up to now is 10.5 secs Computing kpt #: 43 total cpu time spent up to now is 10.6 secs Computing kpt #: 44 total cpu time spent up to now is 10.8 secs Computing kpt #: 45 total cpu time spent up to now is 11.0 secs Computing kpt #: 46 total cpu time spent up to now is 11.2 secs Computing kpt #: 47 total cpu time spent up to now is 11.4 secs Computing kpt #: 48 total cpu time spent up to now is 11.5 secs Computing kpt #: 49 total cpu time spent up to now is 11.7 secs Computing kpt #: 50 total cpu time spent up to now is 11.9 secs Computing kpt #: 51 total cpu time spent up to now is 12.1 secs Computing kpt #: 52 total cpu time spent up to now is 12.2 secs Computing kpt #: 53 total cpu time spent up to now is 12.4 secs Computing kpt #: 54 total cpu time spent up to now is 12.6 secs Computing kpt #: 55 total cpu time spent up to now is 12.8 secs Computing kpt #: 56 total cpu time spent up to now is 12.9 secs Computing kpt #: 57 total cpu time spent up to now is 13.1 secs Computing kpt #: 58 total cpu time spent up to now is 13.3 secs Computing kpt #: 59 total cpu time spent up to now is 13.5 secs Computing kpt #: 60 total cpu time spent up to now is 13.7 secs Computing kpt #: 61 total cpu time spent up to now is 13.9 secs Computing kpt #: 62 total cpu time spent up to now is 14.1 secs Computing kpt #: 63 total cpu time spent up to now is 14.3 secs Computing kpt #: 64 total cpu time spent up to now is 14.5 secs Computing kpt #: 65 total cpu time spent up to now is 14.8 secs Computing kpt #: 66 total cpu time spent up to now is 15.1 secs Computing kpt #: 67 total cpu time spent up to now is 15.4 secs Computing kpt #: 68 total cpu time spent up to now is 15.6 secs Computing kpt #: 69 total cpu time spent up to now is 15.9 secs Computing kpt #: 70 total cpu time spent up to now is 16.1 secs Computing kpt #: 71 total cpu time spent up to now is 16.3 secs Computing kpt #: 72 total cpu time spent up to now is 16.5 secs Computing kpt #: 73 total cpu time spent up to now is 16.7 secs Computing kpt #: 74 total cpu time spent up to now is 16.8 secs Computing kpt #: 75 total cpu time spent up to now is 17.0 secs Computing kpt #: 76 total cpu time spent up to now is 17.2 secs Computing kpt #: 77 total cpu time spent up to now is 17.4 secs Computing kpt #: 78 total cpu time spent up to now is 17.6 secs Computing kpt #: 79 total cpu time spent up to now is 17.8 secs Computing kpt #: 80 total cpu time spent up to now is 17.9 secs Computing kpt #: 81 total cpu time spent up to now is 18.1 secs Computing kpt #: 82 total cpu time spent up to now is 18.7 secs Computing kpt #: 83 total cpu time spent up to now is 18.9 secs Computing kpt #: 84 total cpu time spent up to now is 19.1 secs Computing kpt #: 85 total cpu time spent up to now is 19.2 secs Computing kpt #: 86 total cpu time spent up to now is 19.4 secs Computing kpt #: 87 total cpu time spent up to now is 19.6 secs Computing kpt #: 88 total cpu time spent up to now is 19.8 secs Computing kpt #: 89 total cpu time spent up to now is 19.9 secs Computing kpt #: 90 total cpu time spent up to now is 20.1 secs Computing kpt #: 91 total cpu time spent up to now is 20.3 secs Computing kpt #: 92 total cpu time spent up to now is 20.4 secs Computing kpt #: 93 total cpu time spent up to now is 20.6 secs Computing kpt #: 94 total cpu time spent up to now is 20.8 secs Computing kpt #: 95 total cpu time spent up to now is 21.0 secs Computing kpt #: 96 total cpu time spent up to now is 21.2 secs Computing kpt #: 97 total cpu time spent up to now is 21.4 secs Computing kpt #: 98 total cpu time spent up to now is 21.6 secs Computing kpt #: 99 total cpu time spent up to now is 21.7 secs Computing kpt #: 100 total cpu time spent up to now is 21.9 secs Computing kpt #: 101 total cpu time spent up to now is 22.1 secs Computing kpt #: 102 total cpu time spent up to now is 22.3 secs Computing kpt #: 103 total cpu time spent up to now is 22.5 secs Computing kpt #: 104 total cpu time spent up to now is 22.7 secs Computing kpt #: 105 total cpu time spent up to now is 22.9 secs Computing kpt #: 106 total cpu time spent up to now is 23.2 secs Computing kpt #: 107 total cpu time spent up to now is 23.4 secs Computing kpt #: 108 total cpu time spent up to now is 23.6 secs Computing kpt #: 109 total cpu time spent up to now is 23.8 secs Computing kpt #: 110 total cpu time spent up to now is 24.0 secs Computing kpt #: 111 total cpu time spent up to now is 24.3 secs Computing kpt #: 112 total cpu time spent up to now is 24.5 secs Computing kpt #: 113 total cpu time spent up to now is 24.7 secs Computing kpt #: 114 total cpu time spent up to now is 24.9 secs Computing kpt #: 115 total cpu time spent up to now is 25.1 secs Computing kpt #: 116 total cpu time spent up to now is 25.4 secs Computing kpt #: 117 total cpu time spent up to now is 25.6 secs Computing kpt #: 118 total cpu time spent up to now is 25.8 secs Computing kpt #: 119 total cpu time spent up to now is 26.1 secs Computing kpt #: 120 total cpu time spent up to now is 26.3 secs Computing kpt #: 121 total cpu time spent up to now is 26.5 secs Computing kpt #: 122 total cpu time spent up to now is 26.8 secs Computing kpt #: 123 total cpu time spent up to now is 27.0 secs Computing kpt #: 124 total cpu time spent up to now is 27.3 secs Computing kpt #: 125 total cpu time spent up to now is 27.5 secs Computing kpt #: 126 total cpu time spent up to now is 27.7 secs Computing kpt #: 127 total cpu time spent up to now is 28.0 secs Computing kpt #: 128 total cpu time spent up to now is 28.2 secs Computing kpt #: 129 total cpu time spent up to now is 28.5 secs Computing kpt #: 130 total cpu time spent up to now is 28.7 secs Computing kpt #: 131 total cpu time spent up to now is 28.9 secs Computing kpt #: 132 total cpu time spent up to now is 29.2 secs Computing kpt #: 133 total cpu time spent up to now is 29.4 secs Computing kpt #: 134 total cpu time spent up to now is 29.6 secs Computing kpt #: 135 total cpu time spent up to now is 29.8 secs Computing kpt #: 136 total cpu time spent up to now is 30.0 secs Computing kpt #: 137 total cpu time spent up to now is 30.2 secs Computing kpt #: 138 total cpu time spent up to now is 30.5 secs Computing kpt #: 139 total cpu time spent up to now is 30.7 secs Computing kpt #: 140 total cpu time spent up to now is 30.9 secs Computing kpt #: 141 total cpu time spent up to now is 31.0 secs Computing kpt #: 142 total cpu time spent up to now is 31.2 secs Computing kpt #: 143 total cpu time spent up to now is 31.4 secs Computing kpt #: 144 total cpu time spent up to now is 31.6 secs Computing kpt #: 145 total cpu time spent up to now is 31.8 secs Computing kpt #: 146 total cpu time spent up to now is 32.0 secs Computing kpt #: 147 total cpu time spent up to now is 32.2 secs Computing kpt #: 148 total cpu time spent up to now is 32.4 secs Computing kpt #: 149 total cpu time spent up to now is 32.6 secs Computing kpt #: 150 total cpu time spent up to now is 32.7 secs Computing kpt #: 151 total cpu time spent up to now is 32.9 secs Computing kpt #: 152 total cpu time spent up to now is 33.1 secs Computing kpt #: 153 total cpu time spent up to now is 33.3 secs Computing kpt #: 154 total cpu time spent up to now is 33.4 secs Computing kpt #: 155 total cpu time spent up to now is 33.6 secs Computing kpt #: 156 total cpu time spent up to now is 33.8 secs Computing kpt #: 157 total cpu time spent up to now is 34.0 secs Computing kpt #: 158 total cpu time spent up to now is 34.1 secs Computing kpt #: 159 total cpu time spent up to now is 34.3 secs Computing kpt #: 160 total cpu time spent up to now is 34.5 secs Computing kpt #: 161 total cpu time spent up to now is 34.7 secs Computing kpt #: 162 total cpu time spent up to now is 34.9 secs Computing kpt #: 163 total cpu time spent up to now is 35.0 secs Computing kpt #: 164 total cpu time spent up to now is 35.2 secs Computing kpt #: 165 total cpu time spent up to now is 35.4 secs Computing kpt #: 166 total cpu time spent up to now is 35.6 secs Computing kpt #: 167 total cpu time spent up to now is 35.8 secs Computing kpt #: 168 total cpu time spent up to now is 36.0 secs Computing kpt #: 169 total cpu time spent up to now is 36.2 secs Computing kpt #: 170 total cpu time spent up to now is 36.4 secs Computing kpt #: 171 total cpu time spent up to now is 36.5 secs Computing kpt #: 172 total cpu time spent up to now is 36.7 secs Computing kpt #: 173 total cpu time spent up to now is 36.9 secs Computing kpt #: 174 total cpu time spent up to now is 37.1 secs Computing kpt #: 175 total cpu time spent up to now is 37.3 secs Computing kpt #: 176 total cpu time spent up to now is 37.5 secs Computing kpt #: 177 total cpu time spent up to now is 37.7 secs Computing kpt #: 178 total cpu time spent up to now is 37.9 secs Computing kpt #: 179 total cpu time spent up to now is 38.2 secs Computing kpt #: 180 total cpu time spent up to now is 38.4 secs Computing kpt #: 181 total cpu time spent up to now is 38.6 secs Computing kpt #: 182 total cpu time spent up to now is 38.8 secs Computing kpt #: 183 total cpu time spent up to now is 39.0 secs Computing kpt #: 184 total cpu time spent up to now is 39.3 secs Computing kpt #: 185 total cpu time spent up to now is 39.5 secs Computing kpt #: 186 total cpu time spent up to now is 39.7 secs Computing kpt #: 187 total cpu time spent up to now is 39.9 secs Computing kpt #: 188 total cpu time spent up to now is 40.2 secs Computing kpt #: 189 total cpu time spent up to now is 40.4 secs Computing kpt #: 190 total cpu time spent up to now is 40.6 secs Computing kpt #: 191 total cpu time spent up to now is 40.8 secs Computing kpt #: 192 total cpu time spent up to now is 41.0 secs Computing kpt #: 193 total cpu time spent up to now is 41.2 secs Computing kpt #: 194 total cpu time spent up to now is 41.4 secs Computing kpt #: 195 total cpu time spent up to now is 41.7 secs Computing kpt #: 196 total cpu time spent up to now is 41.9 secs Computing kpt #: 197 total cpu time spent up to now is 42.1 secs Computing kpt #: 198 total cpu time spent up to now is 42.3 secs Computing kpt #: 199 total cpu time spent up to now is 42.5 secs Computing kpt #: 200 total cpu time spent up to now is 42.8 secs Computing kpt #: 201 total cpu time spent up to now is 43.0 secs Computing kpt #: 202 total cpu time spent up to now is 43.2 secs Computing kpt #: 203 total cpu time spent up to now is 43.5 secs Computing kpt #: 204 total cpu time spent up to now is 43.7 secs Computing kpt #: 205 total cpu time spent up to now is 43.9 secs Computing kpt #: 206 total cpu time spent up to now is 44.1 secs Computing kpt #: 207 total cpu time spent up to now is 44.3 secs Computing kpt #: 208 total cpu time spent up to now is 44.5 secs Computing kpt #: 209 total cpu time spent up to now is 44.7 secs Computing kpt #: 210 total cpu time spent up to now is 44.9 secs Computing kpt #: 211 total cpu time spent up to now is 45.1 secs Computing kpt #: 212 total cpu time spent up to now is 45.3 secs Computing kpt #: 213 total cpu time spent up to now is 45.5 secs Computing kpt #: 214 total cpu time spent up to now is 45.7 secs Computing kpt #: 215 total cpu time spent up to now is 45.9 secs Computing kpt #: 216 total cpu time spent up to now is 46.1 secs Computing kpt #: 217 total cpu time spent up to now is 46.3 secs Computing kpt #: 218 total cpu time spent up to now is 46.5 secs Computing kpt #: 219 total cpu time spent up to now is 46.7 secs Computing kpt #: 220 total cpu time spent up to now is 46.9 secs Computing kpt #: 221 total cpu time spent up to now is 47.1 secs Computing kpt #: 222 total cpu time spent up to now is 47.3 secs Computing kpt #: 223 total cpu time spent up to now is 47.6 secs Computing kpt #: 224 total cpu time spent up to now is 47.8 secs Computing kpt #: 225 total cpu time spent up to now is 48.1 secs Computing kpt #: 226 total cpu time spent up to now is 48.3 secs Computing kpt #: 227 total cpu time spent up to now is 48.5 secs Computing kpt #: 228 total cpu time spent up to now is 48.7 secs Computing kpt #: 229 total cpu time spent up to now is 48.9 secs Computing kpt #: 230 total cpu time spent up to now is 49.1 secs Computing kpt #: 231 total cpu time spent up to now is 49.3 secs Computing kpt #: 232 total cpu time spent up to now is 49.5 secs Computing kpt #: 233 total cpu time spent up to now is 49.6 secs Computing kpt #: 234 total cpu time spent up to now is 49.8 secs Computing kpt #: 235 total cpu time spent up to now is 50.0 secs Computing kpt #: 236 total cpu time spent up to now is 50.2 secs Computing kpt #: 237 total cpu time spent up to now is 50.3 secs Computing kpt #: 238 total cpu time spent up to now is 50.5 secs Computing kpt #: 239 total cpu time spent up to now is 50.7 secs Computing kpt #: 240 total cpu time spent up to now is 50.9 secs Computing kpt #: 241 total cpu time spent up to now is 51.1 secs Computing kpt #: 242 total cpu time spent up to now is 51.2 secs Computing kpt #: 243 total cpu time spent up to now is 51.4 secs Computing kpt #: 244 total cpu time spent up to now is 51.6 secs Computing kpt #: 245 total cpu time spent up to now is 51.8 secs Computing kpt #: 246 total cpu time spent up to now is 52.0 secs Computing kpt #: 247 total cpu time spent up to now is 52.2 secs Computing kpt #: 248 total cpu time spent up to now is 52.4 secs Computing kpt #: 249 total cpu time spent up to now is 52.6 secs Computing kpt #: 250 total cpu time spent up to now is 52.8 secs Computing kpt #: 251 total cpu time spent up to now is 53.0 secs Computing kpt #: 252 total cpu time spent up to now is 53.2 secs Computing kpt #: 253 total cpu time spent up to now is 53.4 secs Computing kpt #: 254 total cpu time spent up to now is 53.6 secs Computing kpt #: 255 total cpu time spent up to now is 53.8 secs Computing kpt #: 256 total cpu time spent up to now is 54.0 secs Computing kpt #: 257 total cpu time spent up to now is 54.2 secs Computing kpt #: 258 total cpu time spent up to now is 54.4 secs Computing kpt #: 259 total cpu time spent up to now is 54.6 secs Computing kpt #: 260 total cpu time spent up to now is 54.8 secs Computing kpt #: 261 total cpu time spent up to now is 55.0 secs Computing kpt #: 262 total cpu time spent up to now is 55.2 secs Computing kpt #: 263 total cpu time spent up to now is 55.5 secs Computing kpt #: 264 total cpu time spent up to now is 55.7 secs Computing kpt #: 265 total cpu time spent up to now is 55.9 secs Computing kpt #: 266 total cpu time spent up to now is 56.1 secs Computing kpt #: 267 total cpu time spent up to now is 56.3 secs Computing kpt #: 268 total cpu time spent up to now is 56.5 secs Computing kpt #: 269 total cpu time spent up to now is 56.7 secs Computing kpt #: 270 total cpu time spent up to now is 56.9 secs Computing kpt #: 271 total cpu time spent up to now is 57.1 secs Computing kpt #: 272 total cpu time spent up to now is 57.3 secs Computing kpt #: 273 total cpu time spent up to now is 57.5 secs Computing kpt #: 274 total cpu time spent up to now is 57.7 secs Computing kpt #: 275 total cpu time spent up to now is 57.9 secs Computing kpt #: 276 total cpu time spent up to now is 58.1 secs Computing kpt #: 277 total cpu time spent up to now is 58.3 secs Computing kpt #: 278 total cpu time spent up to now is 58.5 secs Computing kpt #: 279 total cpu time spent up to now is 58.7 secs Computing kpt #: 280 total cpu time spent up to now is 58.9 secs Computing kpt #: 281 total cpu time spent up to now is 59.0 secs Computing kpt #: 282 total cpu time spent up to now is 59.2 secs Computing kpt #: 283 total cpu time spent up to now is 59.4 secs Computing kpt #: 284 total cpu time spent up to now is 59.6 secs Computing kpt #: 285 total cpu time spent up to now is 59.7 secs Computing kpt #: 286 total cpu time spent up to now is 59.9 secs Computing kpt #: 287 total cpu time spent up to now is 60.1 secs Computing kpt #: 288 total cpu time spent up to now is 60.3 secs Computing kpt #: 289 total cpu time spent up to now is 60.4 secs Computing kpt #: 290 total cpu time spent up to now is 60.6 secs Computing kpt #: 291 total cpu time spent up to now is 60.8 secs Computing kpt #: 292 total cpu time spent up to now is 61.0 secs Computing kpt #: 293 total cpu time spent up to now is 61.1 secs Computing kpt #: 294 total cpu time spent up to now is 61.3 secs Computing kpt #: 295 total cpu time spent up to now is 61.5 secs Computing kpt #: 296 total cpu time spent up to now is 61.7 secs Computing kpt #: 297 total cpu time spent up to now is 61.8 secs Computing kpt #: 298 total cpu time spent up to now is 62.0 secs Computing kpt #: 299 total cpu time spent up to now is 62.2 secs Computing kpt #: 300 total cpu time spent up to now is 62.4 secs Computing kpt #: 301 total cpu time spent up to now is 62.6 secs Computing kpt #: 302 total cpu time spent up to now is 62.8 secs Computing kpt #: 303 total cpu time spent up to now is 63.0 secs Computing kpt #: 304 total cpu time spent up to now is 63.2 secs Computing kpt #: 305 total cpu time spent up to now is 63.4 secs Computing kpt #: 306 total cpu time spent up to now is 63.6 secs Computing kpt #: 307 total cpu time spent up to now is 63.8 secs Computing kpt #: 308 total cpu time spent up to now is 64.0 secs Computing kpt #: 309 total cpu time spent up to now is 64.2 secs Computing kpt #: 310 total cpu time spent up to now is 64.4 secs Computing kpt #: 311 total cpu time spent up to now is 64.6 secs Computing kpt #: 312 total cpu time spent up to now is 64.9 secs Computing kpt #: 313 total cpu time spent up to now is 65.1 secs Computing kpt #: 314 total cpu time spent up to now is 65.3 secs Computing kpt #: 315 total cpu time spent up to now is 65.5 secs Computing kpt #: 316 total cpu time spent up to now is 65.7 secs Computing kpt #: 317 total cpu time spent up to now is 66.0 secs Computing kpt #: 318 total cpu time spent up to now is 66.2 secs Computing kpt #: 319 total cpu time spent up to now is 66.4 secs Computing kpt #: 320 total cpu time spent up to now is 66.7 secs Computing kpt #: 321 total cpu time spent up to now is 66.9 secs Computing kpt #: 322 total cpu time spent up to now is 67.1 secs Computing kpt #: 323 total cpu time spent up to now is 67.3 secs Computing kpt #: 324 total cpu time spent up to now is 67.5 secs Computing kpt #: 325 total cpu time spent up to now is 67.8 secs Computing kpt #: 326 total cpu time spent up to now is 68.0 secs Computing kpt #: 327 total cpu time spent up to now is 68.2 secs Computing kpt #: 328 total cpu time spent up to now is 68.4 secs Computing kpt #: 329 total cpu time spent up to now is 68.7 secs Computing kpt #: 330 total cpu time spent up to now is 68.9 secs Computing kpt #: 331 total cpu time spent up to now is 69.1 secs Computing kpt #: 332 total cpu time spent up to now is 69.3 secs Computing kpt #: 333 total cpu time spent up to now is 69.5 secs Computing kpt #: 334 total cpu time spent up to now is 69.7 secs Computing kpt #: 335 total cpu time spent up to now is 69.9 secs Computing kpt #: 336 total cpu time spent up to now is 70.1 secs Computing kpt #: 337 total cpu time spent up to now is 70.3 secs Computing kpt #: 338 total cpu time spent up to now is 70.6 secs Computing kpt #: 339 total cpu time spent up to now is 70.8 secs Computing kpt #: 340 total cpu time spent up to now is 71.0 secs Computing kpt #: 341 total cpu time spent up to now is 71.2 secs Computing kpt #: 342 total cpu time spent up to now is 71.5 secs Computing kpt #: 343 total cpu time spent up to now is 71.7 secs Computing kpt #: 344 total cpu time spent up to now is 71.9 secs Computing kpt #: 345 total cpu time spent up to now is 72.2 secs Computing kpt #: 346 total cpu time spent up to now is 72.4 secs Computing kpt #: 347 total cpu time spent up to now is 72.6 secs Computing kpt #: 348 total cpu time spent up to now is 72.8 secs Computing kpt #: 349 total cpu time spent up to now is 73.1 secs Computing kpt #: 350 total cpu time spent up to now is 73.3 secs Computing kpt #: 351 total cpu time spent up to now is 73.5 secs Computing kpt #: 352 total cpu time spent up to now is 73.7 secs Computing kpt #: 353 total cpu time spent up to now is 73.9 secs Computing kpt #: 354 total cpu time spent up to now is 74.2 secs Computing kpt #: 355 total cpu time spent up to now is 74.4 secs Computing kpt #: 356 total cpu time spent up to now is 74.6 secs Computing kpt #: 357 total cpu time spent up to now is 74.8 secs Computing kpt #: 358 total cpu time spent up to now is 75.0 secs Computing kpt #: 359 total cpu time spent up to now is 75.2 secs Computing kpt #: 360 total cpu time spent up to now is 75.4 secs Computing kpt #: 361 total cpu time spent up to now is 75.6 secs Computing kpt #: 362 total cpu time spent up to now is 75.8 secs Computing kpt #: 363 total cpu time spent up to now is 76.0 secs Computing kpt #: 364 total cpu time spent up to now is 76.2 secs Computing kpt #: 365 total cpu time spent up to now is 76.4 secs Computing kpt #: 366 total cpu time spent up to now is 76.6 secs Computing kpt #: 367 total cpu time spent up to now is 76.8 secs Computing kpt #: 368 total cpu time spent up to now is 77.0 secs Computing kpt #: 369 total cpu time spent up to now is 77.2 secs Computing kpt #: 370 total cpu time spent up to now is 77.4 secs Computing kpt #: 371 total cpu time spent up to now is 77.6 secs Computing kpt #: 372 total cpu time spent up to now is 77.8 secs Computing kpt #: 373 total cpu time spent up to now is 77.9 secs Computing kpt #: 374 total cpu time spent up to now is 78.1 secs Computing kpt #: 375 total cpu time spent up to now is 78.3 secs Computing kpt #: 376 total cpu time spent up to now is 78.5 secs Computing kpt #: 377 total cpu time spent up to now is 78.6 secs Computing kpt #: 378 total cpu time spent up to now is 78.8 secs Computing kpt #: 379 total cpu time spent up to now is 79.0 secs Computing kpt #: 380 total cpu time spent up to now is 79.1 secs Computing kpt #: 381 total cpu time spent up to now is 79.3 secs Computing kpt #: 382 total cpu time spent up to now is 79.5 secs Computing kpt #: 383 total cpu time spent up to now is 79.6 secs Computing kpt #: 384 total cpu time spent up to now is 79.8 secs Computing kpt #: 385 total cpu time spent up to now is 80.0 secs Computing kpt #: 386 total cpu time spent up to now is 80.1 secs Computing kpt #: 387 total cpu time spent up to now is 80.3 secs Computing kpt #: 388 total cpu time spent up to now is 80.4 secs Computing kpt #: 389 total cpu time spent up to now is 80.6 secs Computing kpt #: 390 total cpu time spent up to now is 80.7 secs Computing kpt #: 391 total cpu time spent up to now is 80.9 secs Computing kpt #: 392 total cpu time spent up to now is 81.1 secs Computing kpt #: 393 total cpu time spent up to now is 81.2 secs Computing kpt #: 394 total cpu time spent up to now is 81.4 secs Computing kpt #: 395 total cpu time spent up to now is 81.5 secs Computing kpt #: 396 total cpu time spent up to now is 81.7 secs Computing kpt #: 397 total cpu time spent up to now is 81.8 secs Computing kpt #: 398 total cpu time spent up to now is 82.0 secs Computing kpt #: 399 total cpu time spent up to now is 82.1 secs Computing kpt #: 400 total cpu time spent up to now is 82.3 secs Computing kpt #: 401 total cpu time spent up to now is 82.5 secs Computing kpt #: 402 total cpu time spent up to now is 82.6 secs Computing kpt #: 403 total cpu time spent up to now is 82.8 secs Computing kpt #: 404 total cpu time spent up to now is 82.9 secs Computing kpt #: 405 total cpu time spent up to now is 83.1 secs Computing kpt #: 406 total cpu time spent up to now is 83.2 secs Computing kpt #: 407 total cpu time spent up to now is 83.4 secs Computing kpt #: 408 total cpu time spent up to now is 83.6 secs Computing kpt #: 409 total cpu time spent up to now is 83.7 secs Computing kpt #: 410 total cpu time spent up to now is 83.9 secs Computing kpt #: 411 total cpu time spent up to now is 84.0 secs Computing kpt #: 412 total cpu time spent up to now is 84.2 secs Computing kpt #: 413 total cpu time spent up to now is 84.3 secs Computing kpt #: 414 total cpu time spent up to now is 84.5 secs Computing kpt #: 415 total cpu time spent up to now is 84.6 secs Computing kpt #: 416 total cpu time spent up to now is 84.8 secs Computing kpt #: 417 total cpu time spent up to now is 85.0 secs Computing kpt #: 418 total cpu time spent up to now is 85.1 secs Computing kpt #: 419 total cpu time spent up to now is 85.3 secs Computing kpt #: 420 total cpu time spent up to now is 85.4 secs Computing kpt #: 421 total cpu time spent up to now is 85.6 secs Computing kpt #: 422 total cpu time spent up to now is 85.8 secs Computing kpt #: 423 total cpu time spent up to now is 85.9 secs Computing kpt #: 424 total cpu time spent up to now is 86.1 secs Computing kpt #: 425 total cpu time spent up to now is 86.2 secs Computing kpt #: 426 total cpu time spent up to now is 86.4 secs Computing kpt #: 427 total cpu time spent up to now is 86.6 secs Computing kpt #: 428 total cpu time spent up to now is 86.7 secs Computing kpt #: 429 total cpu time spent up to now is 86.9 secs Computing kpt #: 430 total cpu time spent up to now is 87.1 secs Computing kpt #: 431 total cpu time spent up to now is 87.2 secs Computing kpt #: 432 total cpu time spent up to now is 87.4 secs Computing kpt #: 433 total cpu time spent up to now is 87.6 secs Computing kpt #: 434 total cpu time spent up to now is 87.8 secs Computing kpt #: 435 total cpu time spent up to now is 87.9 secs Computing kpt #: 436 total cpu time spent up to now is 88.1 secs Computing kpt #: 437 total cpu time spent up to now is 88.3 secs Computing kpt #: 438 total cpu time spent up to now is 88.5 secs Computing kpt #: 439 total cpu time spent up to now is 88.7 secs Computing kpt #: 440 total cpu time spent up to now is 88.9 secs Computing kpt #: 441 total cpu time spent up to now is 89.0 secs Computing kpt #: 442 total cpu time spent up to now is 89.2 secs Computing kpt #: 443 total cpu time spent up to now is 89.4 secs Computing kpt #: 444 total cpu time spent up to now is 89.6 secs Computing kpt #: 445 total cpu time spent up to now is 89.8 secs Computing kpt #: 446 total cpu time spent up to now is 90.1 secs Computing kpt #: 447 total cpu time spent up to now is 90.3 secs Computing kpt #: 448 total cpu time spent up to now is 90.5 secs Computing kpt #: 449 total cpu time spent up to now is 90.7 secs Computing kpt #: 450 total cpu time spent up to now is 90.9 secs Computing kpt #: 451 total cpu time spent up to now is 91.1 secs Computing kpt #: 452 total cpu time spent up to now is 91.3 secs Computing kpt #: 453 total cpu time spent up to now is 91.6 secs Computing kpt #: 454 total cpu time spent up to now is 91.9 secs Computing kpt #: 455 total cpu time spent up to now is 92.1 secs Computing kpt #: 456 total cpu time spent up to now is 92.4 secs Computing kpt #: 457 total cpu time spent up to now is 92.7 secs Computing kpt #: 458 total cpu time spent up to now is 93.1 secs Computing kpt #: 459 total cpu time spent up to now is 93.4 secs Computing kpt #: 460 total cpu time spent up to now is 93.7 secs Computing kpt #: 461 total cpu time spent up to now is 94.0 secs Computing kpt #: 462 total cpu time spent up to now is 94.3 secs Computing kpt #: 463 total cpu time spent up to now is 94.6 secs Computing kpt #: 464 total cpu time spent up to now is 94.9 secs Computing kpt #: 465 total cpu time spent up to now is 95.2 secs Computing kpt #: 466 total cpu time spent up to now is 95.5 secs Computing kpt #: 467 total cpu time spent up to now is 95.8 secs Computing kpt #: 468 total cpu time spent up to now is 96.0 secs Computing kpt #: 469 total cpu time spent up to now is 96.3 secs Computing kpt #: 470 total cpu time spent up to now is 96.6 secs Computing kpt #: 471 total cpu time spent up to now is 96.8 secs Computing kpt #: 472 total cpu time spent up to now is 97.1 secs Computing kpt #: 473 total cpu time spent up to now is 97.3 secs Computing kpt #: 474 total cpu time spent up to now is 97.6 secs Computing kpt #: 475 total cpu time spent up to now is 97.9 secs Computing kpt #: 476 total cpu time spent up to now is 98.1 secs Computing kpt #: 477 total cpu time spent up to now is 98.4 secs Computing kpt #: 478 total cpu time spent up to now is 98.7 secs Computing kpt #: 479 total cpu time spent up to now is 98.9 secs Computing kpt #: 480 total cpu time spent up to now is 99.2 secs Computing kpt #: 481 total cpu time spent up to now is 99.5 secs Computing kpt #: 482 total cpu time spent up to now is 99.7 secs Computing kpt #: 483 total cpu time spent up to now is 100.0 secs Computing kpt #: 484 total cpu time spent up to now is 100.2 secs Computing kpt #: 485 total cpu time spent up to now is 100.5 secs Computing kpt #: 486 total cpu time spent up to now is 100.7 secs Computing kpt #: 487 total cpu time spent up to now is 100.9 secs Computing kpt #: 488 total cpu time spent up to now is 101.1 secs Computing kpt #: 489 total cpu time spent up to now is 101.3 secs Computing kpt #: 490 total cpu time spent up to now is 101.5 secs Computing kpt #: 491 total cpu time spent up to now is 101.7 secs Computing kpt #: 492 total cpu time spent up to now is 101.9 secs Computing kpt #: 493 total cpu time spent up to now is 102.1 secs Computing kpt #: 494 total cpu time spent up to now is 102.3 secs Computing kpt #: 495 total cpu time spent up to now is 102.5 secs Computing kpt #: 496 total cpu time spent up to now is 102.7 secs Computing kpt #: 497 total cpu time spent up to now is 103.0 secs Computing kpt #: 498 total cpu time spent up to now is 103.2 secs Computing kpt #: 499 total cpu time spent up to now is 103.4 secs Computing kpt #: 500 total cpu time spent up to now is 103.6 secs Computing kpt #: 501 total cpu time spent up to now is 103.8 secs Computing kpt #: 502 total cpu time spent up to now is 104.0 secs Computing kpt #: 503 total cpu time spent up to now is 104.2 secs Computing kpt #: 504 total cpu time spent up to now is 104.3 secs Computing kpt #: 505 total cpu time spent up to now is 104.5 secs Computing kpt #: 506 total cpu time spent up to now is 104.6 secs Computing kpt #: 507 total cpu time spent up to now is 104.8 secs Computing kpt #: 508 total cpu time spent up to now is 105.0 secs Computing kpt #: 509 total cpu time spent up to now is 105.1 secs Computing kpt #: 510 total cpu time spent up to now is 105.3 secs Computing kpt #: 511 total cpu time spent up to now is 105.5 secs Computing kpt #: 512 total cpu time spent up to now is 105.7 secs Computing kpt #: 513 total cpu time spent up to now is 105.8 secs Computing kpt #: 514 total cpu time spent up to now is 106.0 secs Computing kpt #: 515 total cpu time spent up to now is 106.2 secs Computing kpt #: 516 total cpu time spent up to now is 106.4 secs Computing kpt #: 517 total cpu time spent up to now is 106.5 secs Computing kpt #: 518 total cpu time spent up to now is 106.7 secs Computing kpt #: 519 total cpu time spent up to now is 106.9 secs Computing kpt #: 520 total cpu time spent up to now is 107.0 secs Computing kpt #: 521 total cpu time spent up to now is 107.2 secs Computing kpt #: 522 total cpu time spent up to now is 107.4 secs Computing kpt #: 523 total cpu time spent up to now is 107.5 secs Computing kpt #: 524 total cpu time spent up to now is 107.7 secs Computing kpt #: 525 total cpu time spent up to now is 107.9 secs Computing kpt #: 526 total cpu time spent up to now is 108.0 secs Computing kpt #: 527 total cpu time spent up to now is 108.2 secs Computing kpt #: 528 total cpu time spent up to now is 108.4 secs Computing kpt #: 529 total cpu time spent up to now is 108.7 secs Computing kpt #: 530 total cpu time spent up to now is 108.9 secs Computing kpt #: 531 total cpu time spent up to now is 109.1 secs Computing kpt #: 532 total cpu time spent up to now is 109.4 secs Computing kpt #: 533 total cpu time spent up to now is 109.6 secs Computing kpt #: 534 total cpu time spent up to now is 109.8 secs Computing kpt #: 535 total cpu time spent up to now is 110.1 secs Computing kpt #: 536 total cpu time spent up to now is 110.3 secs Computing kpt #: 537 total cpu time spent up to now is 110.5 secs Computing kpt #: 538 total cpu time spent up to now is 110.8 secs Computing kpt #: 539 total cpu time spent up to now is 111.0 secs Computing kpt #: 540 total cpu time spent up to now is 111.2 secs Computing kpt #: 541 total cpu time spent up to now is 111.4 secs Computing kpt #: 542 total cpu time spent up to now is 111.6 secs Computing kpt #: 543 total cpu time spent up to now is 111.8 secs Computing kpt #: 544 total cpu time spent up to now is 112.0 secs Computing kpt #: 545 total cpu time spent up to now is 112.2 secs Computing kpt #: 546 total cpu time spent up to now is 112.4 secs Computing kpt #: 547 total cpu time spent up to now is 112.7 secs Computing kpt #: 548 total cpu time spent up to now is 112.9 secs Computing kpt #: 549 total cpu time spent up to now is 113.1 secs Computing kpt #: 550 total cpu time spent up to now is 113.3 secs Computing kpt #: 551 total cpu time spent up to now is 113.5 secs Computing kpt #: 552 total cpu time spent up to now is 113.7 secs Computing kpt #: 553 total cpu time spent up to now is 113.9 secs Computing kpt #: 554 total cpu time spent up to now is 114.2 secs Computing kpt #: 555 total cpu time spent up to now is 114.4 secs Computing kpt #: 556 total cpu time spent up to now is 114.7 secs Computing kpt #: 557 total cpu time spent up to now is 114.9 secs Computing kpt #: 558 total cpu time spent up to now is 115.1 secs Computing kpt #: 559 total cpu time spent up to now is 115.3 secs Computing kpt #: 560 total cpu time spent up to now is 115.6 secs Computing kpt #: 561 total cpu time spent up to now is 115.8 secs Computing kpt #: 562 total cpu time spent up to now is 116.1 secs Computing kpt #: 563 total cpu time spent up to now is 116.3 secs Computing kpt #: 564 total cpu time spent up to now is 116.6 secs Computing kpt #: 565 total cpu time spent up to now is 116.8 secs Computing kpt #: 566 total cpu time spent up to now is 117.1 secs Computing kpt #: 567 total cpu time spent up to now is 117.3 secs Computing kpt #: 568 total cpu time spent up to now is 117.6 secs Computing kpt #: 569 total cpu time spent up to now is 117.8 secs Computing kpt #: 570 total cpu time spent up to now is 118.1 secs Computing kpt #: 571 total cpu time spent up to now is 118.3 secs Computing kpt #: 572 total cpu time spent up to now is 118.5 secs Computing kpt #: 573 total cpu time spent up to now is 118.7 secs Computing kpt #: 574 total cpu time spent up to now is 118.9 secs Computing kpt #: 575 total cpu time spent up to now is 119.2 secs Computing kpt #: 576 total cpu time spent up to now is 119.4 secs Computing kpt #: 577 total cpu time spent up to now is 119.6 secs Computing kpt #: 578 total cpu time spent up to now is 119.9 secs Computing kpt #: 579 total cpu time spent up to now is 120.1 secs Computing kpt #: 580 total cpu time spent up to now is 120.3 secs Computing kpt #: 581 total cpu time spent up to now is 120.5 secs Computing kpt #: 582 total cpu time spent up to now is 120.8 secs Computing kpt #: 583 total cpu time spent up to now is 121.0 secs Computing kpt #: 584 total cpu time spent up to now is 121.2 secs Computing kpt #: 585 total cpu time spent up to now is 121.4 secs Computing kpt #: 586 total cpu time spent up to now is 121.6 secs Computing kpt #: 587 total cpu time spent up to now is 121.8 secs Computing kpt #: 588 total cpu time spent up to now is 122.1 secs Computing kpt #: 589 total cpu time spent up to now is 122.3 secs Computing kpt #: 590 total cpu time spent up to now is 122.4 secs Computing kpt #: 591 total cpu time spent up to now is 122.6 secs Computing kpt #: 592 total cpu time spent up to now is 122.8 secs Computing kpt #: 593 total cpu time spent up to now is 123.0 secs Computing kpt #: 594 total cpu time spent up to now is 123.2 secs Computing kpt #: 595 total cpu time spent up to now is 123.4 secs Computing kpt #: 596 total cpu time spent up to now is 123.6 secs Computing kpt #: 597 total cpu time spent up to now is 123.8 secs Computing kpt #: 598 total cpu time spent up to now is 124.1 secs Computing kpt #: 599 total cpu time spent up to now is 124.3 secs Computing kpt #: 600 total cpu time spent up to now is 124.5 secs Computing kpt #: 601 total cpu time spent up to now is 124.7 secs Computing kpt #: 602 total cpu time spent up to now is 124.9 secs Computing kpt #: 603 total cpu time spent up to now is 125.1 secs Computing kpt #: 604 total cpu time spent up to now is 125.3 secs Computing kpt #: 605 total cpu time spent up to now is 125.5 secs Computing kpt #: 606 total cpu time spent up to now is 125.7 secs Computing kpt #: 607 total cpu time spent up to now is 125.9 secs Computing kpt #: 608 total cpu time spent up to now is 126.1 secs Computing kpt #: 609 total cpu time spent up to now is 126.3 secs Computing kpt #: 610 total cpu time spent up to now is 126.5 secs Computing kpt #: 611 total cpu time spent up to now is 126.7 secs Computing kpt #: 612 total cpu time spent up to now is 126.9 secs Computing kpt #: 613 total cpu time spent up to now is 127.1 secs Computing kpt #: 614 total cpu time spent up to now is 127.3 secs Computing kpt #: 615 total cpu time spent up to now is 127.5 secs Computing kpt #: 616 total cpu time spent up to now is 127.7 secs Computing kpt #: 617 total cpu time spent up to now is 127.9 secs Computing kpt #: 618 total cpu time spent up to now is 128.1 secs Computing kpt #: 619 total cpu time spent up to now is 128.5 secs Computing kpt #: 620 total cpu time spent up to now is 128.8 secs Computing kpt #: 621 total cpu time spent up to now is 129.0 secs Computing kpt #: 622 total cpu time spent up to now is 129.2 secs Computing kpt #: 623 total cpu time spent up to now is 129.4 secs Computing kpt #: 624 total cpu time spent up to now is 129.6 secs Computing kpt #: 625 total cpu time spent up to now is 129.8 secs Computing kpt #: 626 total cpu time spent up to now is 129.9 secs Computing kpt #: 627 total cpu time spent up to now is 130.1 secs Computing kpt #: 628 total cpu time spent up to now is 130.3 secs Computing kpt #: 629 total cpu time spent up to now is 130.5 secs Computing kpt #: 630 total cpu time spent up to now is 130.7 secs Computing kpt #: 631 total cpu time spent up to now is 130.9 secs Computing kpt #: 632 total cpu time spent up to now is 131.1 secs Computing kpt #: 633 total cpu time spent up to now is 131.2 secs Computing kpt #: 634 total cpu time spent up to now is 131.4 secs Computing kpt #: 635 total cpu time spent up to now is 131.6 secs Computing kpt #: 636 total cpu time spent up to now is 131.8 secs Computing kpt #: 637 total cpu time spent up to now is 131.9 secs Computing kpt #: 638 total cpu time spent up to now is 132.1 secs Computing kpt #: 639 total cpu time spent up to now is 132.3 secs Computing kpt #: 640 total cpu time spent up to now is 132.4 secs Computing kpt #: 641 total cpu time spent up to now is 132.6 secs Computing kpt #: 642 total cpu time spent up to now is 132.7 secs Computing kpt #: 643 total cpu time spent up to now is 132.9 secs Computing kpt #: 644 total cpu time spent up to now is 133.1 secs Computing kpt #: 645 total cpu time spent up to now is 133.2 secs Computing kpt #: 646 total cpu time spent up to now is 133.4 secs Computing kpt #: 647 total cpu time spent up to now is 133.5 secs Computing kpt #: 648 total cpu time spent up to now is 133.7 secs Computing kpt #: 649 total cpu time spent up to now is 133.9 secs Computing kpt #: 650 total cpu time spent up to now is 134.0 secs Computing kpt #: 651 total cpu time spent up to now is 134.2 secs Computing kpt #: 652 total cpu time spent up to now is 134.3 secs Computing kpt #: 653 total cpu time spent up to now is 134.5 secs Computing kpt #: 654 total cpu time spent up to now is 134.6 secs Computing kpt #: 655 total cpu time spent up to now is 134.8 secs Computing kpt #: 656 total cpu time spent up to now is 135.0 secs ethr = 6.25E-08, avg # of iterations = 14.4 total cpu time spent up to now is 135.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2281 PWs) bands (ev): -89.8766 -89.8766 -89.8171 -89.8171 -89.8092 -89.8092 -89.7867 -89.7867 -2.0835 -2.0835 3.9103 3.9103 5.8981 5.8981 7.3510 7.3510 8.4111 8.4111 16.1189 16.1189 17.0141 17.0141 17.0516 17.0516 k = 0.0068-0.0000-0.0000 ( 2289 PWs) bands (ev): -89.8766 -89.8766 -89.8171 -89.8171 -89.8092 -89.8092 -89.7867 -89.7867 -2.0825 -2.0825 3.9116 3.9116 5.8996 5.8996 7.3520 7.3520 8.4123 8.4123 16.1199 16.1199 17.0144 17.0144 17.0516 17.0517 k = 0.0137-0.0000-0.0000 ( 2289 PWs) bands (ev): -89.8766 -89.8766 -89.8171 -89.8171 -89.8092 -89.8092 -89.7867 -89.7867 -2.0794 -2.0794 3.9156 3.9156 5.9039 5.9039 7.3547 7.3547 8.4156 8.4156 16.1230 16.1230 17.0151 17.0153 17.0519 17.0521 k = 0.0205-0.0000-0.0000 ( 2289 PWs) bands (ev): -89.8765 -89.8765 -89.8171 -89.8171 -89.8091 -89.8091 -89.7867 -89.7867 -2.0741 -2.0741 3.9223 3.9223 5.9110 5.9110 7.3594 7.3594 8.4212 8.4212 16.1282 16.1282 17.0162 17.0165 17.0525 17.0527 k = 0.0274-0.0000-0.0000 ( 2289 PWs) bands (ev): -89.8764 -89.8764 -89.8171 -89.8171 -89.8091 -89.8091 -89.7866 -89.7866 -2.0668 -2.0668 3.9316 3.9316 5.9211 5.9211 7.3659 7.3659 8.4290 8.4290 16.1354 16.1354 17.0176 17.0180 17.0535 17.0538 k = 0.0342-0.0000-0.0000 ( 2289 PWs) bands (ev): -89.8764 -89.8764 -89.8171 -89.8171 -89.8090 -89.8090 -89.7866 -89.7866 -2.0574 -2.0574 3.9437 3.9437 5.9340 5.9340 7.3742 7.3742 8.4390 8.4390 16.1446 16.1446 17.0191 17.0195 17.0551 17.0556 k = 0.0411-0.0000-0.0000 ( 2289 PWs) bands (ev): -89.8762 -89.8762 -89.8171 -89.8171 -89.8089 -89.8089 -89.7866 -89.7866 -2.0459 -2.0459 3.9584 3.9584 5.9497 5.9497 7.3844 7.3844 8.4513 8.4513 16.1559 16.1559 17.0203 17.0208 17.0577 17.0583 k = 0.0479-0.0000-0.0000 ( 2289 PWs) bands (ev): -89.8761 -89.8761 -89.8171 -89.8171 -89.8088 -89.8088 -89.7865 -89.7865 -2.0323 -2.0323 3.9757 3.9757 5.9683 5.9683 7.3965 7.3965 8.4658 8.4658 16.1690 16.1690 17.0209 17.0215 17.0616 17.0621 k = 0.0548-0.0000-0.0000 ( 2291 PWs) bands (ev): -89.8759 -89.8759 -89.8171 -89.8171 -89.8087 -89.8087 -89.7865 -89.7865 -2.0166 -2.0166 3.9957 3.9957 5.9898 5.9898 7.4103 7.4103 8.4824 8.4824 16.1840 16.1840 17.0209 17.0215 17.0667 17.0673 k = 0.0616-0.0000-0.0000 ( 2285 PWs) bands (ev): -89.8758 -89.8758 -89.8171 -89.8171 -89.8086 -89.8086 -89.7864 -89.7864 -1.9989 -1.9989 4.0184 4.0184 6.0141 6.0141 7.4260 7.4260 8.5013 8.5013 16.2007 16.2007 17.0201 17.0207 17.0733 17.0738 k = 0.0685-0.0000-0.0000 ( 2287 PWs) bands (ev): -89.8756 -89.8756 -89.8170 -89.8170 -89.8085 -89.8085 -89.7864 -89.7864 -1.9790 -1.9790 4.0438 4.0438 6.0413 6.0413 7.4436 7.4436 8.5223 8.5223 16.2190 16.2190 17.0185 17.0191 17.0811 17.0817 k = 0.0753-0.0000-0.0000 ( 2283 PWs) bands (ev): -89.8753 -89.8753 -89.8170 -89.8170 -89.8083 -89.8083 -89.7863 -89.7863 -1.9570 -1.9570 4.0717 4.0717 6.0714 6.0714 7.4629 7.4629 8.5456 8.5456 16.2386 16.2386 17.0162 17.0168 17.0903 17.0908 k = 0.0822-0.0000-0.0000 ( 2279 PWs) bands (ev): -89.8751 -89.8751 -89.8170 -89.8170 -89.8082 -89.8082 -89.7862 -89.7862 -1.9330 -1.9330 4.1024 4.1024 6.1043 6.1043 7.4841 7.4841 8.5709 8.5709 16.2590 16.2590 17.0132 17.0137 17.1006 17.1011 k = 0.0890-0.0000-0.0000 ( 2279 PWs) bands (ev): -89.8748 -89.8748 -89.8170 -89.8170 -89.8080 -89.8080 -89.7861 -89.7861 -1.9068 -1.9068 4.1356 4.1356 6.1401 6.1401 7.5070 7.5070 8.5984 8.5984 16.2792 16.2792 17.0096 17.0100 17.1120 17.1124 k = 0.0959-0.0000-0.0000 ( 2279 PWs) bands (ev): -89.8746 -89.8746 -89.8170 -89.8170 -89.8078 -89.8078 -89.7860 -89.7860 -1.8786 -1.8786 4.1715 4.1715 6.1787 6.1787 7.5317 7.5317 8.6281 8.6281 16.2964 16.2964 16.9559 16.9559 17.0052 17.0056 k = 0.1027-0.0000-0.0000 ( 2287 PWs) bands (ev): -89.8743 -89.8743 -89.8170 -89.8170 -89.8076 -89.8076 -89.7860 -89.7860 -1.8482 -1.8482 4.2100 4.2100 6.2201 6.2201 7.5582 7.5582 8.6598 8.6598 16.3009 16.3009 16.7128 16.7129 17.0001 17.0005 k = 0.1096-0.0000-0.0000 ( 2285 PWs) bands (ev): -89.8740 -89.8740 -89.8169 -89.8169 -89.8074 -89.8074 -89.7859 -89.7859 -1.8158 -1.8158 4.2511 4.2511 6.2644 6.2644 7.5865 7.5865 8.6936 8.6936 16.2471 16.2472 16.5298 16.5298 16.9943 16.9947 k = 0.1164-0.0000-0.0000 ( 2285 PWs) bands (ev): -89.8736 -89.8736 -89.8169 -89.8169 -89.8072 -89.8072 -89.7858 -89.7858 -1.7813 -1.7813 4.2949 4.2949 6.3116 6.3116 7.6165 7.6165 8.7295 8.7295 16.0663 16.0663 16.4758 16.4758 16.9878 16.9882 k = 0.1233-0.0000-0.0000 ( 2285 PWs) bands (ev): -89.8733 -89.8733 -89.8169 -89.8169 -89.8070 -89.8070 -89.7856 -89.7856 -1.7447 -1.7447 4.3412 4.3412 6.3615 6.3615 7.6482 7.6482 8.7674 8.7674 15.8249 15.8250 16.4842 16.4842 16.9804 16.9808 k = 0.1301-0.0000-0.0000 ( 2285 PWs) bands (ev): -89.8729 -89.8729 -89.8169 -89.8169 -89.8068 -89.8068 -89.7855 -89.7855 -1.7059 -1.7059 4.3900 4.3900 6.4144 6.4144 7.6817 7.6817 8.8073 8.8073 15.5697 15.5697 16.5086 16.5086 16.9722 16.9726 k = 0.1370-0.0000-0.0000 ( 2286 PWs) bands (ev): -89.8725 -89.8725 -89.8169 -89.8169 -89.8065 -89.8065 -89.7854 -89.7854 -1.6651 -1.6651 4.4415 4.4415 6.4700 6.4700 7.7168 7.7168 8.8491 8.8491 15.3106 15.3106 16.5387 16.5387 16.9631 16.9635 k = 0.1438-0.0000-0.0000 ( 2286 PWs) bands (ev): -89.8721 -89.8721 -89.8169 -89.8169 -89.8062 -89.8062 -89.7853 -89.7853 -1.6222 -1.6222 4.4955 4.4955 6.5284 6.5284 7.7536 7.7536 8.8929 8.8930 15.0506 15.0506 16.5718 16.5718 16.9531 16.9534 k = 0.1507-0.0000-0.0000 ( 2286 PWs) bands (ev): -89.8717 -89.8717 -89.8169 -89.8169 -89.8060 -89.8060 -89.7852 -89.7852 -1.5772 -1.5772 4.5520 4.5520 6.5897 6.5897 7.7921 7.7921 8.9386 8.9387 14.7907 14.7907 16.6066 16.6066 16.9421 16.9424 k = 0.1575-0.0000-0.0000 ( 2286 PWs) bands (ev): -89.8713 -89.8713 -89.8169 -89.8169 -89.8057 -89.8057 -89.7850 -89.7850 -1.5300 -1.5300 4.6110 4.6110 6.6538 6.6538 7.8322 7.8322 8.9862 8.9862 14.5315 14.5315 16.6425 16.6425 16.9300 16.9303 k = 0.1644-0.0000-0.0000 ( 2288 PWs) bands (ev): -89.8709 -89.8709 -89.8168 -89.8168 -89.8054 -89.8054 -89.7849 -89.7849 -1.4808 -1.4808 4.6725 4.6725 6.7207 6.7207 7.8739 7.8739 9.0356 9.0356 14.2734 14.2734 16.6789 16.6789 16.9167 16.9171 k = 0.1712-0.0000-0.0000 ( 2296 PWs) bands (ev): -89.8704 -89.8704 -89.8168 -89.8168 -89.8051 -89.8051 -89.7848 -89.7848 -1.4295 -1.4295 4.7364 4.7364 6.7903 6.7903 7.9172 7.9172 9.0868 9.0868 14.0167 14.0167 16.7155 16.7155 16.9024 16.9027 k = 0.1781-0.0000-0.0000 ( 2300 PWs) bands (ev): -89.8699 -89.8699 -89.8168 -89.8168 -89.8048 -89.8048 -89.7846 -89.7846 -1.3761 -1.3761 4.8028 4.8028 6.8628 6.8628 7.9621 7.9621 9.1397 9.1397 13.7614 13.7614 16.7518 16.7518 16.8868 16.8871 k = 0.1849-0.0000-0.0000 ( 2308 PWs) bands (ev): -89.8695 -89.8695 -89.8168 -89.8168 -89.8045 -89.8045 -89.7845 -89.7845 -1.3205 -1.3205 4.8716 4.8716 6.9380 6.9380 8.0085 8.0085 9.1942 9.1943 13.5078 13.5078 16.7874 16.7874 16.8700 16.8703 k = 0.1918-0.0000-0.0000 ( 2308 PWs) bands (ev): -89.8690 -89.8690 -89.8168 -89.8168 -89.8042 -89.8042 -89.7844 -89.7844 -1.2629 -1.2629 4.9427 4.9427 7.0160 7.0160 8.0565 8.0565 9.2504 9.2505 13.2561 13.2561 16.8217 16.8217 16.8519 16.8522 k = 0.1986-0.0000-0.0000 ( 2316 PWs) bands (ev): -89.8685 -89.8685 -89.8168 -89.8168 -89.8039 -89.8039 -89.7842 -89.7842 -1.2031 -1.2031 5.0161 5.0161 7.0967 7.0967 8.1059 8.1059 9.3081 9.3082 13.0063 13.0063 16.8325 16.8328 16.8542 16.8542 k = 0.2055-0.0000-0.0000 ( 2320 PWs) bands (ev): -89.8680 -89.8680 -89.8168 -89.8168 -89.8036 -89.8036 -89.7841 -89.7841 -1.1413 -1.1413 5.0918 5.0918 7.1801 7.1801 8.1568 8.1568 9.3674 9.3674 12.7586 12.7586 16.8117 16.8120 16.8843 16.8843 k = 0.2123-0.0000-0.0000 ( 2320 PWs) bands (ev): -89.8675 -89.8675 -89.8168 -89.8168 -89.8032 -89.8032 -89.7839 -89.7839 -1.0773 -1.0773 5.1697 5.1697 7.2662 7.2662 8.2091 8.2091 9.4280 9.4280 12.5131 12.5131 16.7896 16.7899 16.9112 16.9112 k = 0.2192-0.0000-0.0000 ( 2316 PWs) bands (ev): -89.8669 -89.8669 -89.8168 -89.8168 -89.8029 -89.8029 -89.7838 -89.7838 -1.0113 -1.0113 5.2497 5.2497 7.3550 7.3550 8.2628 8.2628 9.4899 9.4900 12.2701 12.2701 16.7662 16.7665 16.9342 16.9342 k = 0.2260-0.0000-0.0000 ( 2316 PWs) bands (ev): -89.8664 -89.8664 -89.8169 -89.8169 -89.8026 -89.8026 -89.7836 -89.7836 -0.9431 -0.9431 5.3318 5.3318 7.4464 7.4464 8.3178 8.3179 9.5531 9.5532 12.0295 12.0295 16.7414 16.7417 16.9523 16.9523 k = 0.2329-0.0000-0.0000 ( 2316 PWs) bands (ev): -89.8658 -89.8658 -89.8169 -89.8169 -89.8022 -89.8022 -89.7835 -89.7835 -0.8728 -0.8728 5.4158 5.4158 7.5404 7.5404 8.3742 8.3742 9.6175 9.6175 11.7917 11.7917 16.7152 16.7156 16.9646 16.9646 k = 0.2397-0.0000-0.0000 ( 2316 PWs) bands (ev): -89.8653 -89.8653 -89.8169 -89.8169 -89.8019 -89.8019 -89.7834 -89.7834 -0.8004 -0.8004 5.5017 5.5017 7.6369 7.6369 8.4319 8.4319 9.6828 9.6829 11.5568 11.5568 16.6878 16.6882 16.9698 16.9699 k = 0.2466-0.0000-0.0000 ( 2318 PWs) bands (ev): -89.8648 -89.8648 -89.8169 -89.8169 -89.8015 -89.8015 -89.7832 -89.7832 -0.7259 -0.7259 5.5892 5.5892 7.7359 7.7359 8.4908 8.4908 9.7492 9.7492 11.3250 11.3250 16.6592 16.6595 16.9670 16.9670 k = 0.2534-0.0000-0.0000 ( 2318 PWs) bands (ev): -89.8642 -89.8642 -89.8169 -89.8169 -89.8012 -89.8012 -89.7831 -89.7831 -0.6493 -0.6493 5.6783 5.6783 7.8372 7.8372 8.5509 8.5509 9.8163 9.8163 11.0966 11.0966 16.6294 16.6297 16.9549 16.9549 k = 0.2603-0.0000-0.0000 ( 2320 PWs) bands (ev): -89.8636 -89.8636 -89.8170 -89.8170 -89.8008 -89.8008 -89.7829 -89.7829 -0.5706 -0.5706 5.7686 5.7686 7.9407 7.9407 8.6122 8.6122 9.8841 9.8842 10.8721 10.8721 16.5985 16.5988 16.9322 16.9322 k = 0.2671-0.0000-0.0000 ( 2322 PWs) bands (ev): -89.8631 -89.8631 -89.8170 -89.8170 -89.8005 -89.8005 -89.7828 -89.7828 -0.4898 -0.4898 5.8601 5.8601 8.0462 8.0462 8.6745 8.6746 9.9525 9.9525 10.6518 10.6518 16.5666 16.5670 16.8980 16.8980 k = 0.2740-0.0000-0.0000 ( 2322 PWs) bands (ev): -89.8625 -89.8625 -89.8170 -89.8170 -89.8001 -89.8001 -89.7827 -89.7827 -0.4069 -0.4069 5.9522 5.9522 8.1534 8.1534 8.7380 8.7380 10.0212 10.0213 10.4365 10.4365 16.5340 16.5343 16.8513 16.8513 k = 0.2808-0.0000-0.0000 ( 2322 PWs) bands (ev): -89.8620 -89.8620 -89.8171 -89.8171 -89.7998 -89.7998 -89.7825 -89.7825 -0.3219 -0.3219 6.0446 6.0446 8.2618 8.2618 8.8024 8.8025 10.0902 10.0903 10.2270 10.2270 16.5006 16.5010 16.7914 16.7914 k = 0.2877-0.0000-0.0000 ( 2326 PWs) bands (ev): -89.8614 -89.8614 -89.8171 -89.8171 -89.7994 -89.7994 -89.7824 -89.7824 -0.2348 -0.2348 6.1367 6.1367 8.3705 8.3705 8.8678 8.8679 10.0248 10.0248 10.1593 10.1593 16.4668 16.4671 16.7179 16.7179 k = 0.2945-0.0000-0.0000 ( 2328 PWs) bands (ev): -89.8608 -89.8608 -89.8172 -89.8172 -89.7991 -89.7991 -89.7823 -89.7823 -0.1456 -0.1456 6.2278 6.2278 8.4781 8.4781 8.9342 8.9342 9.8320 9.8320 10.2282 10.2282 16.4326 16.4330 16.6308 16.6308 k = 0.3014-0.0000-0.0000 ( 2332 PWs) bands (ev): -89.8603 -89.8603 -89.8172 -89.8172 -89.7988 -89.7988 -89.7821 -89.7821 -0.0543 -0.0543 6.3169 6.3169 8.5813 8.5814 9.0013 9.0014 9.6527 9.6527 10.2967 10.2968 16.3984 16.3987 16.5304 16.5304 k = 0.3082-0.0000-0.0000 ( 2340 PWs) bands (ev): -89.8597 -89.8597 -89.8173 -89.8173 -89.7984 -89.7984 -89.7820 -89.7820 0.0391 0.0391 6.4027 6.4027 8.6737 8.6737 9.0693 9.0693 9.4949 9.4949 10.3647 10.3648 16.3643 16.3647 16.4174 16.4174 k = 0.3151-0.0000-0.0000 ( 2336 PWs) bands (ev): -89.8592 -89.8592 -89.8173 -89.8173 -89.7981 -89.7981 -89.7819 -89.7819 0.1345 0.1345 6.4834 6.4834 8.7402 8.7402 9.1379 9.1380 9.3754 9.3754 10.4319 10.4320 16.2925 16.2925 16.3306 16.3310 k = 0.3219-0.0000-0.0000 ( 2336 PWs) bands (ev): -89.8586 -89.8586 -89.8174 -89.8174 -89.7977 -89.7977 -89.7818 -89.7818 0.2320 0.2320 6.5565 6.5565 8.7550 8.7550 9.2072 9.2073 9.3221 9.3221 10.4981 10.4982 16.1570 16.1570 16.2976 16.2980 k = 0.3288-0.0000-0.0000 ( 2336 PWs) bands (ev): -89.8581 -89.8581 -89.8174 -89.8174 -89.7974 -89.7974 -89.7817 -89.7817 0.3316 0.3316 6.6188 6.6188 8.7085 8.7085 9.2771 9.2772 9.3480 9.3481 10.5629 10.5630 16.0118 16.0118 16.2657 16.2661 k = 0.3356-0.0000-0.0000 ( 2336 PWs) bands (ev): -89.8576 -89.8576 -89.8175 -89.8175 -89.7971 -89.7971 -89.7815 -89.7815 0.4333 0.4333 6.6663 6.6663 8.6293 8.6293 9.3475 9.3475 9.4286 9.4286 10.6261 10.6262 15.8583 15.8583 16.2350 16.2354 k = 0.3425-0.0000-0.0000 ( 2332 PWs) bands (ev): -89.8571 -89.8571 -89.8176 -89.8176 -89.7968 -89.7968 -89.7814 -89.7814 0.5370 0.5370 6.6939 6.6939 8.5492 8.5492 9.4183 9.4183 9.5368 9.5368 10.6875 10.6876 15.6976 15.6976 16.2060 16.2064 k = 0.3493-0.0000-0.0000 ( 2338 PWs) bands (ev): -89.8566 -89.8566 -89.8176 -89.8176 -89.7965 -89.7965 -89.7813 -89.7813 0.6427 0.6427 6.6969 6.6969 8.4864 8.4864 9.4894 9.4894 9.6592 9.6592 10.7466 10.7467 15.5308 15.5308 16.1790 16.1794 k = 0.3562-0.0000-0.0000 ( 2338 PWs) bands (ev): -89.8561 -89.8561 -89.8177 -89.8177 -89.7962 -89.7962 -89.7812 -89.7812 0.7505 0.7505 6.6716 6.6716 8.4503 8.4503 9.5607 9.5607 9.7900 9.7900 10.8033 10.8034 15.3589 15.3589 16.1542 16.1547 k = 0.3630-0.0000-0.0000 ( 2334 PWs) bands (ev): -89.8556 -89.8556 -89.8178 -89.8178 -89.7959 -89.7959 -89.7811 -89.7811 0.8602 0.8602 6.6170 6.6170 8.4443 8.4443 9.6321 9.6322 9.9265 9.9265 10.8571 10.8572 15.1828 15.1829 16.1322 16.1326 k = 0.3699-0.0000-0.0000 ( 2334 PWs) bands (ev): -89.8551 -89.8551 -89.8179 -89.8179 -89.7956 -89.7956 -89.7811 -89.7811 0.9720 0.9720 6.5354 6.5354 8.4677 8.4677 9.7036 9.7036 10.0673 10.0673 10.9077 10.9079 15.0036 15.0036 16.1132 16.1136 k = 0.3767-0.0000-0.0000 ( 2334 PWs) bands (ev): -89.8546 -89.8546 -89.8179 -89.8179 -89.7954 -89.7954 -89.7810 -89.7810 1.0856 1.0856 6.4309 6.4309 8.5168 8.5168 9.7749 9.7750 10.2114 10.2114 10.9549 10.9551 14.8219 14.8219 16.0975 16.0979 k = 0.3836-0.0000-0.0000 ( 2336 PWs) bands (ev): -89.8542 -89.8542 -89.8180 -89.8180 -89.7951 -89.7951 -89.7809 -89.7809 1.2012 1.2012 6.3087 6.3087 8.5868 8.5869 9.8460 9.8461 10.3583 10.3583 10.9983 10.9985 14.6385 14.6385 16.0855 16.0859 k = 0.3904-0.0000-0.0000 ( 2336 PWs) bands (ev): -89.8538 -89.8538 -89.8181 -89.8181 -89.7949 -89.7949 -89.7808 -89.7808 1.3186 1.3186 6.1734 6.1734 8.6735 8.6735 9.9168 9.9169 10.5076 10.5076 11.0377 11.0378 14.4541 14.4541 16.0773 16.0777 k = 0.3973-0.0000-0.0000 ( 2336 PWs) bands (ev): -89.8534 -89.8534 -89.8182 -89.8182 -89.7946 -89.7946 -89.7807 -89.7807 1.4378 1.4378 6.0289 6.0289 8.7729 8.7729 9.9870 9.9871 10.6589 10.6589 11.0727 11.0728 14.2692 14.2693 16.0732 16.0737 k = 0.4041-0.0000-0.0000 ( 2336 PWs) bands (ev): -89.8530 -89.8530 -89.8182 -89.8182 -89.7944 -89.7944 -89.7807 -89.7807 1.5587 1.5587 5.8780 5.8780 8.8822 8.8822 10.0565 10.0566 10.8118 10.8118 11.1031 11.1033 14.0846 14.0846 16.0734 16.0739 k = 0.4110-0.0000-0.0000 ( 2332 PWs) bands (ev): -89.8526 -89.8526 -89.8183 -89.8183 -89.7942 -89.7942 -89.7806 -89.7806 1.6813 1.6813 5.7230 5.7230 8.9990 8.9990 10.1252 10.1253 10.9659 10.9659 11.1289 11.1290 13.9009 13.9009 16.0780 16.0784 k = 0.4178-0.0000-0.0000 ( 2324 PWs) bands (ev): -89.8523 -89.8523 -89.8184 -89.8184 -89.7940 -89.7940 -89.7806 -89.7806 1.8054 1.8054 5.5656 5.5656 9.1214 9.1214 10.1928 10.1929 11.1207 11.1207 11.1497 11.1498 13.7185 13.7186 16.0869 16.0873 k = 0.4247-0.0000-0.0000 ( 2324 PWs) bands (ev): -89.8520 -89.8520 -89.8184 -89.8184 -89.7938 -89.7938 -89.7805 -89.7805 1.9308 1.9308 5.4072 5.4072 9.2479 9.2479 10.2590 10.2591 11.1656 11.1657 11.2757 11.2757 13.5384 13.5384 16.0999 16.1004 k = 0.4315-0.0000-0.0000 ( 2324 PWs) bands (ev): -89.8517 -89.8517 -89.8185 -89.8185 -89.7936 -89.7936 -89.7805 -89.7805 2.0573 2.0573 5.2488 5.2488 9.3772 9.3773 10.3237 10.3238 11.1766 11.1767 11.4301 11.4302 13.3611 13.3612 16.1170 16.1174 k = 0.4384-0.0000-0.0000 ( 2328 PWs) bands (ev): -89.8514 -89.8514 -89.8186 -89.8186 -89.7935 -89.7935 -89.7804 -89.7804 2.1846 2.1846 5.0914 5.0914 9.5080 9.5080 10.3865 10.3866 11.1827 11.1828 11.5831 11.5832 13.1878 13.1878 15.9833 15.9833 k = 0.4452-0.0000-0.0000 ( 2328 PWs) bands (ev): -89.8512 -89.8512 -89.8186 -89.8186 -89.7934 -89.7934 -89.7804 -89.7804 2.3123 2.3123 4.9358 4.9358 9.6387 9.6387 10.4470 10.4471 11.1842 11.1843 11.7335 11.7336 13.0193 13.0194 15.7873 15.7874 k = 0.4521-0.0000-0.0000 ( 2330 PWs) bands (ev): -89.8509 -89.8509 -89.8187 -89.8187 -89.7932 -89.7932 -89.7803 -89.7803 2.4398 2.4398 4.7832 4.7832 9.7677 9.7677 10.5048 10.5048 11.1813 11.1815 11.8797 11.8798 12.8574 12.8574 15.6009 15.6009 k = 0.4589-0.0000-0.0000 ( 2330 PWs) bands (ev): -89.8507 -89.8507 -89.8187 -89.8187 -89.7931 -89.7931 -89.7803 -89.7803 2.5660 2.5660 4.6347 4.6347 9.8931 9.8931 10.5592 10.5593 11.1747 11.1748 12.0196 12.0197 12.7038 12.7038 15.4261 15.4261 k = 0.4658-0.0000-0.0000 ( 2324 PWs) bands (ev): -89.8506 -89.8506 -89.8188 -89.8188 -89.7930 -89.7930 -89.7803 -89.7803 2.6893 2.6893 4.4922 4.4922 10.0120 10.0120 10.6095 10.6095 11.1649 11.1650 12.1503 12.1504 12.5612 12.5613 15.2656 15.2656 k = 0.4726-0.0000-0.0000 ( 2324 PWs) bands (ev): -89.8504 -89.8504 -89.8188 -89.8188 -89.7930 -89.7930 -89.7803 -89.7803 2.8073 2.8073 4.3583 4.3583 10.1210 10.1210 10.6546 10.6547 11.1529 11.1530 12.2674 12.2676 12.4338 12.4340 15.1232 15.1232 k = 0.4795-0.0000-0.0000 ( 2332 PWs) bands (ev): -89.8503 -89.8503 -89.8188 -89.8188 -89.7929 -89.7929 -89.7803 -89.7803 2.9158 2.9158 4.2374 4.2374 10.2155 10.2155 10.6931 10.6932 11.1402 11.1403 12.3166 12.3172 12.3756 12.3761 15.0035 15.0035 k = 0.4863-0.0000-0.0000 ( 2336 PWs) bands (ev): -89.8503 -89.8503 -89.8188 -89.8188 -89.7929 -89.7929 -89.7802 -89.7802 3.0074 3.0074 4.1368 4.1368 10.2897 10.2898 10.7232 10.7232 11.1286 11.1287 12.2360 12.2361 12.4498 12.4499 14.9119 14.9119 k = 0.4932-0.0000-0.0000 ( 2336 PWs) bands (ev): -89.8502 -89.8502 -89.8188 -89.8188 -89.7928 -89.7928 -89.7802 -89.7802 3.0713 3.0713 4.0675 4.0675 10.3377 10.3377 10.7426 10.7426 11.1203 11.1204 12.1821 12.1821 12.4992 12.4992 14.8540 14.8540 k = 0.5000-0.0000-0.0000 ( 2336 PWs) bands (ev): -89.8502 -89.8502 -89.8188 -89.8188 -89.7928 -89.7928 -89.7802 -89.7802 3.0947 3.0947 4.0423 4.0423 10.3544 10.3544 10.7493 10.7493 11.1173 11.1173 12.1634 12.1634 12.5163 12.5163 14.8341 14.8341 k = 0.5000-0.0000-0.0000 ( 2336 PWs) bands (ev): -89.8502 -89.8502 -89.8188 -89.8188 -89.7928 -89.7928 -89.7802 -89.7802 3.0947 3.0947 4.0423 4.0423 10.3544 10.3544 10.7493 10.7493 11.1173 11.1173 12.1634 12.1634 12.5163 12.5163 14.8341 14.8341 k = 0.5000 0.0069-0.0000 ( 2336 PWs) bands (ev): -89.8502 -89.8502 -89.8189 -89.8189 -89.7928 -89.7928 -89.7802 -89.7802 3.0957 3.0957 4.0430 4.0430 10.3482 10.3484 10.7475 10.7478 11.1059 11.1059 12.1699 12.1700 12.5246 12.5246 14.8372 14.8372 k = 0.5000 0.0138-0.0000 ( 2328 PWs) bands (ev): -89.8502 -89.8502 -89.8189 -89.8189 -89.7928 -89.7928 -89.7803 -89.7803 3.0988 3.0988 4.0451 4.0451 10.3298 10.3303 10.7430 10.7435 11.0725 11.0727 12.1888 12.1889 12.5491 12.5492 14.8463 14.8464 k = 0.5000 0.0207-0.0000 ( 2320 PWs) bands (ev): -89.8501 -89.8501 -89.8189 -89.8189 -89.7928 -89.7928 -89.7803 -89.7803 3.1039 3.1039 4.0486 4.0486 10.2989 10.2995 10.7373 10.7381 11.0198 11.0200 12.2178 12.2180 12.5887 12.5888 14.8610 14.8611 k = 0.5000 0.0276-0.0000 ( 2320 PWs) bands (ev): -89.8501 -89.8501 -89.8190 -89.8190 -89.7928 -89.7928 -89.7803 -89.7803 3.1111 3.1111 4.0535 4.0535 10.2553 10.2560 10.7324 10.7333 10.9507 10.9509 12.2543 12.2546 12.6414 12.6417 14.8805 14.8806 k = 0.5000 0.0345-0.0000 ( 2320 PWs) bands (ev): -89.8500 -89.8500 -89.8191 -89.8191 -89.7927 -89.7927 -89.7803 -89.7803 3.1203 3.1203 4.0598 4.0598 10.1996 10.2004 10.7295 10.7305 10.8684 10.8687 12.2957 12.2961 12.7054 12.7057 14.9036 14.9038 k = 0.5000 0.0414-0.0000 ( 2324 PWs) bands (ev): -89.8499 -89.8499 -89.8192 -89.8192 -89.7927 -89.7927 -89.7804 -89.7804 3.1315 3.1315 4.0675 4.0675 10.1331 10.1339 10.7295 10.7305 10.7755 10.7757 12.3403 12.3406 12.7787 12.7789 14.9292 14.9294 k = 0.5000 0.0483-0.0000 ( 2324 PWs) bands (ev): -89.8498 -89.8498 -89.8193 -89.8193 -89.7926 -89.7926 -89.7804 -89.7804 3.1448 3.1448 4.0765 4.0765 10.0573 10.0580 10.6741 10.6743 10.7326 10.7336 12.3865 12.3869 12.8593 12.8595 14.9557 14.9559 k = 0.5000 0.0552-0.0000 ( 2320 PWs) bands (ev): -89.8496 -89.8496 -89.8194 -89.8194 -89.7926 -89.7926 -89.7805 -89.7805 3.1601 3.1601 4.0869 4.0869 9.9737 9.9744 10.5659 10.5661 10.7388 10.7397 12.4335 12.4339 12.9456 12.9459 14.9816 14.9819 k = 0.5000 0.0621-0.0000 ( 2320 PWs) bands (ev): -89.8495 -89.8495 -89.8196 -89.8196 -89.7925 -89.7925 -89.7805 -89.7805 3.1774 3.1774 4.0986 4.0986 9.8840 9.8847 10.4523 10.4526 10.7478 10.7487 12.4807 12.4811 13.0362 13.0365 15.0055 15.0057 k = 0.5000 0.0690-0.0000 ( 2328 PWs) bands (ev): -89.8493 -89.8493 -89.8197 -89.8197 -89.7925 -89.7925 -89.7806 -89.7806 3.1967 3.1967 4.1117 4.1117 9.7895 9.7901 10.3344 10.3347 10.7594 10.7602 12.5279 12.5283 13.1301 13.1304 15.0257 15.0260 k = 0.5000 0.0759-0.0000 ( 2328 PWs) bands (ev): -89.8491 -89.8491 -89.8199 -89.8199 -89.7924 -89.7924 -89.7807 -89.7807 3.2179 3.2179 4.1261 4.1261 9.6913 9.6919 10.2131 10.2133 10.7735 10.7742 12.5749 12.5753 13.2262 13.2264 15.0411 15.0414 k = 0.5000 0.0828-0.0000 ( 2324 PWs) bands (ev): -89.8489 -89.8489 -89.8201 -89.8201 -89.7923 -89.7923 -89.7808 -89.7808 3.2412 3.2412 4.1418 4.1418 9.5903 9.5908 10.0891 10.0894 10.7898 10.7905 12.6218 12.6222 13.3237 13.3239 15.0506 15.0509 k = 0.5000 0.0897-0.0000 ( 2332 PWs) bands (ev): -89.8487 -89.8487 -89.8203 -89.8203 -89.7922 -89.7922 -89.7809 -89.7809 3.2664 3.2664 4.1588 4.1588 9.4873 9.4878 9.9631 9.9633 10.8083 10.8089 12.6686 12.6690 13.4220 13.4222 15.0533 15.0536 k = 0.5000 0.0966-0.0000 ( 2332 PWs) bands (ev): -89.8484 -89.8484 -89.8206 -89.8206 -89.7921 -89.7921 -89.7810 -89.7810 3.2935 3.2935 4.1770 4.1770 9.3829 9.3833 9.8356 9.8358 10.8288 10.8294 12.7153 12.7157 13.5205 13.5208 15.0487 15.0491 k = 0.5000 0.1035-0.0000 ( 2332 PWs) bands (ev): -89.8482 -89.8482 -89.8208 -89.8208 -89.7920 -89.7920 -89.7811 -89.7811 3.3226 3.3226 4.1964 4.1964 9.2776 9.2779 9.7071 9.7073 10.8513 10.8518 12.7620 12.7624 13.6189 13.6192 15.0367 15.0371 k = 0.5000 0.1104-0.0000 ( 2320 PWs) bands (ev): -89.8479 -89.8479 -89.8211 -89.8211 -89.7919 -89.7919 -89.7812 -89.7812 3.3535 3.3535 4.2171 4.2171 9.1718 9.1721 9.5780 9.5782 10.8757 10.8762 12.8089 12.8093 13.7168 13.7170 15.0175 15.0179 k = 0.5000 0.1173-0.0000 ( 2320 PWs) bands (ev): -89.8476 -89.8476 -89.8214 -89.8214 -89.7918 -89.7918 -89.7813 -89.7813 3.3863 3.3863 4.2389 4.2389 9.0658 9.0662 9.4486 9.4488 10.9021 10.9025 12.8558 12.8562 13.8139 13.8141 14.9912 14.9916 k = 0.5000 0.1242-0.0000 ( 2320 PWs) bands (ev): -89.8473 -89.8473 -89.8217 -89.8217 -89.7917 -89.7917 -89.7814 -89.7814 3.4210 3.4210 4.2618 4.2618 8.9601 8.9604 9.3193 9.3195 10.9303 10.9307 12.9028 12.9032 13.9100 13.9102 14.9585 14.9589 k = 0.5000 0.1311-0.0000 ( 2324 PWs) bands (ev): -89.8470 -89.8470 -89.8220 -89.8220 -89.7916 -89.7916 -89.7815 -89.7815 3.4575 3.4575 4.2857 4.2857 8.8548 8.8551 9.1905 9.1906 10.9603 10.9607 12.9499 12.9503 14.0050 14.0052 14.9201 14.9206 k = 0.5000 0.1380-0.0000 ( 2322 PWs) bands (ev): -89.8467 -89.8467 -89.8223 -89.8223 -89.7914 -89.7914 -89.7817 -89.7817 3.4957 3.4957 4.3107 4.3107 8.7503 8.7505 9.0623 9.0624 10.9922 10.9926 12.9969 12.9973 14.0987 14.0989 14.8769 14.8773 k = 0.5000 0.1449-0.0000 ( 2316 PWs) bands (ev): -89.8463 -89.8463 -89.8227 -89.8227 -89.7913 -89.7913 -89.7818 -89.7818 3.5357 3.5357 4.3366 4.3366 8.6466 8.6468 8.9350 8.9352 11.0259 11.0263 13.0435 13.0439 14.1912 14.1914 14.8297 14.8301 k = 0.5000 0.1518-0.0000 ( 2316 PWs) bands (ev): -89.8460 -89.8460 -89.8230 -89.8230 -89.7911 -89.7911 -89.7820 -89.7820 3.5773 3.5773 4.3634 4.3634 8.5440 8.5442 8.8089 8.8091 11.0615 11.0618 13.0895 13.0899 14.2823 14.2825 14.7796 14.7800 k = 0.5000 0.1587-0.0000 ( 2320 PWs) bands (ev): -89.8456 -89.8456 -89.8234 -89.8234 -89.7910 -89.7910 -89.7821 -89.7821 3.6206 3.6206 4.3910 4.3910 8.4427 8.4429 8.6843 8.6844 11.0988 11.0991 13.1344 13.1348 14.3721 14.3723 14.7277 14.7282 k = 0.5000 0.1656-0.0000 ( 2320 PWs) bands (ev): -89.8452 -89.8452 -89.8238 -89.8238 -89.7908 -89.7908 -89.7823 -89.7823 3.6655 3.6655 4.4193 4.4193 8.3428 8.3430 8.5613 8.5614 11.1379 11.1382 13.1775 13.1779 14.4607 14.4608 14.6755 14.6759 k = 0.5000 0.1725-0.0000 ( 2316 PWs) bands (ev): -89.8448 -89.8448 -89.8242 -89.8242 -89.7907 -89.7907 -89.7824 -89.7824 3.7118 3.7118 4.4482 4.4482 8.2445 8.2447 8.4401 8.4403 11.1789 11.1791 13.2180 13.2184 14.5480 14.5481 14.6242 14.6247 k = 0.5000 0.1794-0.0000 ( 2316 PWs) bands (ev): -89.8444 -89.8444 -89.8246 -89.8246 -89.7905 -89.7905 -89.7826 -89.7826 3.7596 3.7597 4.4775 4.4775 8.1479 8.1481 8.3212 8.3213 11.2216 11.2218 13.2548 13.2552 14.5756 14.5761 14.6341 14.6341 k = 0.5000 0.1863-0.0000 ( 2320 PWs) bands (ev): -89.8440 -89.8440 -89.8250 -89.8250 -89.7904 -89.7904 -89.7828 -89.7828 3.8088 3.8088 4.5072 4.5072 8.0532 8.0534 8.2045 8.2047 11.2661 11.2663 13.2865 13.2869 14.5317 14.5322 14.7190 14.7191 k = 0.5000 0.1932-0.0000 ( 2320 PWs) bands (ev): -89.8435 -89.8435 -89.8254 -89.8254 -89.7902 -89.7902 -89.7829 -89.7829 3.8592 3.8592 4.5371 4.5371 7.9605 7.9607 8.0905 8.0907 11.3124 11.3126 13.3114 13.3117 14.4945 14.4950 14.8029 14.8029 k = 0.5000 0.2001-0.0000 ( 2328 PWs) bands (ev): -89.8431 -89.8431 -89.8259 -89.8259 -89.7900 -89.7900 -89.7831 -89.7831 3.9108 3.9108 4.5669 4.5669 7.8701 7.8702 7.9794 7.9796 11.3605 11.3607 13.3277 13.3280 14.4662 14.4667 14.8857 14.8858 k = 0.5000 0.2070-0.0000 ( 2324 PWs) bands (ev): -89.8426 -89.8426 -89.8263 -89.8263 -89.7898 -89.7898 -89.7833 -89.7833 3.9634 3.9634 4.5965 4.5966 7.7820 7.7821 7.8715 7.8716 11.4104 11.4105 13.3337 13.3340 14.4491 14.4495 14.9676 14.9677 k = 0.5000 0.2139-0.0000 ( 2320 PWs) bands (ev): -89.8422 -89.8422 -89.8268 -89.8268 -89.7896 -89.7896 -89.7835 -89.7835 4.0169 4.0169 4.6257 4.6257 7.6964 7.6966 7.7671 7.7672 11.4620 11.4621 13.3281 13.3284 14.4446 14.4450 15.0486 15.0486 k = 0.5000 0.2208-0.0000 ( 2324 PWs) bands (ev): -89.8417 -89.8417 -89.8273 -89.8273 -89.7895 -89.7895 -89.7837 -89.7837 4.0712 4.0712 4.6541 4.6541 7.6136 7.6138 7.6664 7.6666 11.5153 11.5155 13.3105 13.3108 14.4536 14.4540 15.1286 15.1286 k = 0.5000 0.2276-0.0000 ( 2332 PWs) bands (ev): -89.8412 -89.8412 -89.8277 -89.8277 -89.7893 -89.7893 -89.7839 -89.7839 4.1259 4.1260 4.6814 4.6815 7.5337 7.5339 7.5700 7.5702 11.5704 11.5705 13.2813 13.2815 14.4760 14.4763 15.2075 15.2076 k = 0.5000 0.2345-0.0000 ( 2326 PWs) bands (ev): -89.8407 -89.8407 -89.8282 -89.8282 -89.7891 -89.7891 -89.7841 -89.7841 4.1811 4.1811 4.7073 4.7074 7.4570 7.4572 7.4783 7.4784 11.6272 11.6273 13.2415 13.2417 14.5108 14.5111 15.2854 15.2854 k = 0.5000 0.2414-0.0000 ( 2326 PWs) bands (ev): -89.8402 -89.8402 -89.8287 -89.8287 -89.7889 -89.7889 -89.7843 -89.7843 4.2363 4.2363 4.7314 4.7315 7.3838 7.3839 7.3915 7.3917 11.6856 11.6857 13.1928 13.1930 14.5567 14.5569 15.3618 15.3619 k = 0.5000 0.2483-0.0000 ( 2326 PWs) bands (ev): -89.8397 -89.8397 -89.8292 -89.8292 -89.7887 -89.7887 -89.7845 -89.7845 4.2914 4.2914 4.7532 4.7533 7.3104 7.3105 7.3142 7.3144 11.7457 11.7458 13.1369 13.1370 14.6121 14.6124 15.4365 15.4365 k = 0.5000 0.2552-0.0000 ( 2326 PWs) bands (ev): -89.8392 -89.8392 -89.8297 -89.8297 -89.7885 -89.7885 -89.7847 -89.7847 4.3459 4.3460 4.7723 4.7723 7.2353 7.2354 7.2487 7.2489 11.8074 11.8075 13.0754 13.0754 14.6757 14.6759 15.5086 15.5086 k = 0.5000 0.2621-0.0000 ( 2330 PWs) bands (ev): -89.8387 -89.8387 -89.8302 -89.8302 -89.7883 -89.7883 -89.7849 -89.7849 4.3997 4.3997 4.7881 4.7881 7.1668 7.1669 7.1876 7.1878 11.8707 11.8707 13.0095 13.0095 14.7462 14.7464 15.5768 15.5769 k = 0.5000 0.2690-0.0000 ( 2324 PWs) bands (ev): -89.8382 -89.8382 -89.8307 -89.8307 -89.7881 -89.7881 -89.7851 -89.7851 4.4522 4.4522 4.8001 4.8001 7.1055 7.1056 7.1314 7.1315 11.9355 11.9355 12.9404 12.9404 14.8226 14.8228 15.6387 15.6387 k = 0.5000 0.2759-0.0000 ( 2320 PWs) bands (ev): -89.8377 -89.8377 -89.8313 -89.8313 -89.7878 -89.7878 -89.7853 -89.7853 4.5030 4.5030 4.8078 4.8079 7.0519 7.0521 7.0804 7.0805 12.0017 12.0018 12.8691 12.8691 14.9040 14.9042 15.6895 15.6897 k = 0.5000 0.2828-0.0000 ( 2320 PWs) bands (ev): -89.8371 -89.8371 -89.8318 -89.8318 -89.7876 -89.7876 -89.7855 -89.7855 4.5517 4.5517 4.8107 4.8108 7.0066 7.0067 7.0351 7.0353 12.0694 12.0694 12.7962 12.7962 14.9896 14.9898 15.7213 15.7215 k = 0.5000 0.2897-0.0000 ( 2312 PWs) bands (ev): -89.8366 -89.8366 -89.8323 -89.8323 -89.7874 -89.7874 -89.7857 -89.7857 4.5976 4.5977 4.8085 4.8085 6.9699 6.9700 6.9962 6.9963 12.1383 12.1384 12.7223 12.7223 15.0787 15.0789 15.7231 15.7234 k = 0.5000 0.2966-0.0000 ( 2312 PWs) bands (ev): -89.8361 -89.8361 -89.8329 -89.8329 -89.7872 -89.7872 -89.7859 -89.7859 4.6404 4.6404 4.8007 4.8008 6.9422 6.9423 6.9640 6.9642 12.2086 12.2086 12.6479 12.6479 15.1707 15.1708 15.6889 15.6892 k = 0.5000 0.3035-0.0000 ( 2308 PWs) bands (ev): -89.8355 -89.8355 -89.8334 -89.8334 -89.7870 -89.7870 -89.7861 -89.7861 4.6793 4.6794 4.7873 4.7874 6.9236 6.9238 6.9393 6.9394 12.2799 12.2799 12.5735 12.5735 15.2646 15.2648 15.6252 15.6254 k = 0.5000 0.3104-0.0000 ( 2312 PWs) bands (ev): -89.8350 -89.8350 -89.8339 -89.8339 -89.7868 -89.7868 -89.7863 -89.7863 4.7139 4.7140 4.7683 4.7683 6.9143 6.9144 6.9224 6.9225 12.3522 12.3522 12.4992 12.4992 15.3594 15.3596 15.5437 15.5439 k = 0.5000 0.3173-0.0000 ( 2312 PWs) bands (ev): -89.8345 -89.8345 -89.8345 -89.8345 -89.7866 -89.7866 -89.7866 -89.7866 4.7437 4.7437 4.7438 4.7438 6.9139 6.9139 6.9141 6.9141 12.4253 12.4253 12.4254 12.4254 15.4534 15.4534 15.4536 15.4536 k = 0.5000 0.3173-0.0000 ( 2312 PWs) bands (ev): -89.8345 -89.8345 -89.8345 -89.8345 -89.7866 -89.7866 -89.7866 -89.7866 4.7437 4.7437 4.7438 4.7438 6.9139 6.9139 6.9141 6.9141 12.4253 12.4253 12.4254 12.4254 15.4534 15.4534 15.4536 15.4536 k = 0.4932 0.3173-0.0000 ( 2312 PWs) bands (ev): -89.8345 -89.8345 -89.8345 -89.8345 -89.7866 -89.7866 -89.7866 -89.7866 4.7350 4.7350 4.7350 4.7350 6.9236 6.9236 6.9237 6.9237 12.4134 12.4134 12.4134 12.4134 15.4676 15.4676 15.4678 15.4678 k = 0.4863 0.3173-0.0000 ( 2316 PWs) bands (ev): -89.8345 -89.8345 -89.8345 -89.8345 -89.7866 -89.7866 -89.7866 -89.7866 4.7093 4.7093 4.7093 4.7093 6.9519 6.9519 6.9521 6.9521 12.3781 12.3781 12.3782 12.3782 15.5094 15.5094 15.5096 15.5096 k = 0.4795 0.3173-0.0000 ( 2316 PWs) bands (ev): -89.8345 -89.8345 -89.8345 -89.8345 -89.7866 -89.7866 -89.7866 -89.7866 4.6679 4.6679 4.6680 4.6680 6.9977 6.9977 6.9979 6.9979 12.3216 12.3216 12.3217 12.3217 15.5765 15.5765 15.5767 15.5767 k = 0.4726 0.3173-0.0000 ( 2316 PWs) bands (ev): -89.8346 -89.8346 -89.8346 -89.8346 -89.7866 -89.7866 -89.7866 -89.7866 4.6127 4.6127 4.6128 4.6128 7.0590 7.0590 7.0592 7.0592 12.2465 12.2465 12.2467 12.2467 15.6653 15.6653 15.6656 15.6656 k = 0.4658 0.3173-0.0000 ( 2308 PWs) bands (ev): -89.8346 -89.8346 -89.8346 -89.8346 -89.7867 -89.7867 -89.7867 -89.7867 4.5459 4.5459 4.5459 4.5459 7.1336 7.1336 7.1338 7.1338 12.1560 12.1560 12.1562 12.1562 15.7710 15.7710 15.7713 15.7713 k = 0.4589 0.3173-0.0000 ( 2308 PWs) bands (ev): -89.8347 -89.8347 -89.8347 -89.8347 -89.7867 -89.7867 -89.7867 -89.7867 4.4694 4.4694 4.4694 4.4694 7.2192 7.2192 7.2194 7.2194 12.0531 12.0531 12.0533 12.0533 15.8863 15.8863 15.8867 15.8867 k = 0.4521 0.3173-0.0000 ( 2308 PWs) bands (ev): -89.8348 -89.8348 -89.8348 -89.8348 -89.7868 -89.7868 -89.7868 -89.7868 4.3852 4.3852 4.3853 4.3853 7.3139 7.3139 7.3141 7.3141 11.9407 11.9407 11.9409 11.9409 15.9990 15.9990 15.9995 15.9995 k = 0.4452 0.3173-0.0000 ( 2308 PWs) bands (ev): -89.8349 -89.8349 -89.8349 -89.8349 -89.7869 -89.7869 -89.7869 -89.7869 4.2950 4.2950 4.2951 4.2951 7.4157 7.4157 7.4159 7.4159 11.8211 11.8211 11.8213 11.8213 16.0873 16.0873 16.0880 16.0880 k = 0.4384 0.3173-0.0000 ( 2308 PWs) bands (ev): -89.8350 -89.8350 -89.8350 -89.8350 -89.7869 -89.7869 -89.7869 -89.7869 4.2001 4.2001 4.2002 4.2002 7.5231 7.5231 7.5233 7.5233 11.6965 11.6965 11.6967 11.6967 16.1334 16.1334 16.1341 16.1341 k = 0.4315 0.3173-0.0000 ( 2316 PWs) bands (ev): -89.8351 -89.8351 -89.8351 -89.8351 -89.7870 -89.7870 -89.7870 -89.7870 4.1018 4.1018 4.1018 4.1018 7.6346 7.6346 7.6348 7.6348 11.5686 11.5686 11.5689 11.5689 16.1456 16.1456 16.1463 16.1463 k = 0.4247 0.3173-0.0000 ( 2312 PWs) bands (ev): -89.8352 -89.8352 -89.8352 -89.8352 -89.7871 -89.7871 -89.7871 -89.7871 4.0008 4.0008 4.0008 4.0008 7.7489 7.7489 7.7491 7.7491 11.4390 11.4390 11.4393 11.4393 16.1404 16.1404 16.1410 16.1410 k = 0.4178 0.3173-0.0000 ( 2304 PWs) bands (ev): -89.8353 -89.8353 -89.8353 -89.8353 -89.7872 -89.7872 -89.7872 -89.7872 3.8979 3.8979 3.8980 3.8980 7.8648 7.8648 7.8651 7.8651 11.3090 11.3090 11.3093 11.3093 16.1272 16.1272 16.1277 16.1277 k = 0.4110 0.3173-0.0000 ( 2304 PWs) bands (ev): -89.8355 -89.8355 -89.8355 -89.8355 -89.7873 -89.7873 -89.7873 -89.7873 3.7939 3.7939 3.7939 3.7939 7.9812 7.9812 7.9815 7.9815 11.1798 11.1798 11.1801 11.1801 16.1102 16.1102 16.1107 16.1107 k = 0.4041 0.3173-0.0000 ( 2304 PWs) bands (ev): -89.8357 -89.8357 -89.8357 -89.8357 -89.7875 -89.7875 -89.7875 -89.7875 3.6891 3.6891 3.6891 3.6891 8.0968 8.0968 8.0971 8.0971 11.0526 11.0526 11.0530 11.0530 16.0919 16.0919 16.0924 16.0924 k = 0.3973 0.3173-0.0000 ( 2300 PWs) bands (ev): -89.8358 -89.8358 -89.8358 -89.8358 -89.7876 -89.7876 -89.7876 -89.7876 3.5840 3.5840 3.5840 3.5840 8.2104 8.2104 8.2107 8.2107 10.9287 10.9287 10.9291 10.9291 16.0735 16.0735 16.0740 16.0740 k = 0.3904 0.3173-0.0000 ( 2296 PWs) bands (ev): -89.8360 -89.8360 -89.8360 -89.8360 -89.7877 -89.7877 -89.7877 -89.7877 3.4789 3.4789 3.4789 3.4789 8.3204 8.3204 8.3208 8.3208 10.8094 10.8094 10.8098 10.8098 16.0560 16.0560 16.0565 16.0565 k = 0.3836 0.3173-0.0000 ( 2304 PWs) bands (ev): -89.8362 -89.8362 -89.8362 -89.8362 -89.7879 -89.7879 -89.7879 -89.7879 3.3741 3.3741 3.3741 3.3741 8.4252 8.4252 8.4257 8.4257 10.6963 10.6963 10.6968 10.6968 16.0403 16.0403 16.0407 16.0407 k = 0.3767 0.3173-0.0000 ( 2308 PWs) bands (ev): -89.8364 -89.8364 -89.8364 -89.8364 -89.7880 -89.7880 -89.7880 -89.7880 3.2698 3.2698 3.2698 3.2698 8.5227 8.5227 8.5231 8.5231 10.5913 10.5913 10.5919 10.5919 16.0269 16.0269 16.0273 16.0273 k = 0.3699 0.3173-0.0000 ( 2304 PWs) bands (ev): -89.8366 -89.8366 -89.8366 -89.8366 -89.7882 -89.7882 -89.7882 -89.7882 3.1662 3.1662 3.1663 3.1663 8.6101 8.6101 8.6107 8.6107 10.4967 10.4967 10.4974 10.4974 16.0165 16.0165 16.0169 16.0169 k = 0.3630 0.3173-0.0000 ( 2304 PWs) bands (ev): -89.8368 -89.8368 -89.8368 -89.8368 -89.7883 -89.7883 -89.7883 -89.7883 3.0636 3.0636 3.0636 3.0636 8.6846 8.6846 8.6852 8.6852 10.4155 10.4155 10.4162 10.4162 16.0096 16.0096 16.0100 16.0100 k = 0.3562 0.3173-0.0000 ( 2300 PWs) bands (ev): -89.8371 -89.8371 -89.8371 -89.8371 -89.7885 -89.7885 -89.7885 -89.7885 2.9619 2.9619 2.9619 2.9619 8.7427 8.7427 8.7433 8.7433 10.3507 10.3507 10.3514 10.3514 16.0068 16.0068 16.0072 16.0072 k = 0.3493 0.3173-0.0000 ( 2298 PWs) bands (ev): -89.8373 -89.8373 -89.8373 -89.8373 -89.7887 -89.7887 -89.7887 -89.7887 2.8614 2.8614 2.8614 2.8614 8.7809 8.7809 8.7816 8.7816 10.3053 10.3053 10.3061 10.3061 16.0086 16.0086 16.0090 16.0090 k = 0.3425 0.3173-0.0000 ( 2298 PWs) bands (ev): -89.8375 -89.8375 -89.8375 -89.8375 -89.7889 -89.7889 -89.7889 -89.7889 2.7622 2.7622 2.7622 2.7622 8.7970 8.7970 8.7977 8.7977 10.2816 10.2816 10.2824 10.2824 16.0155 16.0155 16.0159 16.0159 k = 0.3356 0.3173-0.0000 ( 2298 PWs) bands (ev): -89.8378 -89.8378 -89.8378 -89.8378 -89.7890 -89.7890 -89.7890 -89.7890 2.6643 2.6643 2.6643 2.6643 8.7901 8.7901 8.7908 8.7908 10.2798 10.2798 10.2807 10.2807 16.0281 16.0281 16.0284 16.0284 k = 0.3288 0.3173-0.0000 ( 2298 PWs) bands (ev): -89.8380 -89.8380 -89.8380 -89.8380 -89.7892 -89.7892 -89.7892 -89.7892 2.5678 2.5678 2.5678 2.5678 8.7616 8.7616 8.7623 8.7623 10.2984 10.2984 10.2992 10.2992 16.0468 16.0468 16.0471 16.0471 k = 0.3219 0.3173-0.0000 ( 2298 PWs) bands (ev): -89.8383 -89.8383 -89.8383 -89.8383 -89.7894 -89.7894 -89.7894 -89.7894 2.4728 2.4728 2.4728 2.4728 8.7146 8.7146 8.7152 8.7152 10.3338 10.3338 10.3345 10.3345 16.0721 16.0721 16.0724 16.0724 k = 0.3151 0.3173-0.0000 ( 2294 PWs) bands (ev): -89.8386 -89.8386 -89.8386 -89.8386 -89.7896 -89.7896 -89.7896 -89.7896 2.3793 2.3793 2.3793 2.3793 8.6527 8.6527 8.6533 8.6533 10.3819 10.3819 10.3827 10.3827 16.1045 16.1045 16.1048 16.1048 k = 0.3082 0.3173-0.0000 ( 2300 PWs) bands (ev): -89.8388 -89.8388 -89.8388 -89.8388 -89.7898 -89.7898 -89.7898 -89.7898 2.2875 2.2875 2.2875 2.2875 8.5798 8.5798 8.5803 8.5803 10.4389 10.4389 10.4395 10.4395 16.1443 16.1443 16.1447 16.1447 k = 0.3014 0.3173-0.0000 ( 2304 PWs) bands (ev): -89.8391 -89.8391 -89.8391 -89.8391 -89.7900 -89.7900 -89.7900 -89.7900 2.1973 2.1973 2.1973 2.1973 8.4988 8.4988 8.4993 8.4993 10.5011 10.5011 10.5018 10.5018 16.1921 16.1921 16.1924 16.1924 k = 0.2945 0.3173-0.0000 ( 2304 PWs) bands (ev): -89.8394 -89.8394 -89.8394 -89.8394 -89.7902 -89.7902 -89.7902 -89.7902 2.1088 2.1088 2.1088 2.1088 8.4124 8.4124 8.4128 8.4128 10.5660 10.5660 10.5666 10.5666 16.2481 16.2481 16.2484 16.2484 k = 0.2877 0.3173-0.0000 ( 2300 PWs) bands (ev): -89.8397 -89.8397 -89.8397 -89.8397 -89.7905 -89.7905 -89.7905 -89.7905 2.0220 2.0220 2.0220 2.0220 8.3223 8.3223 8.3227 8.3227 10.6313 10.6313 10.6318 10.6318 16.3126 16.3126 16.3129 16.3129 k = 0.2808 0.3173-0.0000 ( 2298 PWs) bands (ev): -89.8400 -89.8400 -89.8400 -89.8400 -89.7907 -89.7907 -89.7907 -89.7907 1.9370 1.9370 1.9370 1.9370 8.2300 8.2300 8.2303 8.2303 10.6954 10.6954 10.6960 10.6960 16.3858 16.3858 16.3861 16.3861 k = 0.2740 0.3173-0.0000 ( 2298 PWs) bands (ev): -89.8402 -89.8402 -89.8402 -89.8402 -89.7909 -89.7909 -89.7909 -89.7909 1.8538 1.8538 1.8538 1.8538 8.1365 8.1365 8.1368 8.1368 10.7573 10.7573 10.7578 10.7578 16.4680 16.4680 16.4683 16.4683 k = 0.2671 0.3173-0.0000 ( 2290 PWs) bands (ev): -89.8405 -89.8405 -89.8405 -89.8405 -89.7911 -89.7911 -89.7911 -89.7911 1.7725 1.7725 1.7725 1.7725 8.0427 8.0427 8.0430 8.0430 10.8160 10.8160 10.8164 10.8164 16.5592 16.5592 16.5595 16.5595 k = 0.2603 0.3173-0.0000 ( 2290 PWs) bands (ev): -89.8408 -89.8408 -89.8408 -89.8408 -89.7913 -89.7913 -89.7913 -89.7913 1.6930 1.6930 1.6930 1.6930 7.9492 7.9492 7.9495 7.9495 10.8709 10.8709 10.8713 10.8713 16.6593 16.6593 16.6596 16.6596 k = 0.2534 0.3173-0.0000 ( 2290 PWs) bands (ev): -89.8411 -89.8411 -89.8411 -89.8411 -89.7915 -89.7915 -89.7915 -89.7915 1.6153 1.6153 1.6153 1.6153 7.8564 7.8564 7.8566 7.8566 10.9216 10.9216 10.9221 10.9221 16.7684 16.7684 16.7687 16.7687 k = 0.2466 0.3173-0.0000 ( 2290 PWs) bands (ev): -89.8414 -89.8414 -89.8414 -89.8414 -89.7918 -89.7918 -89.7918 -89.7918 1.5396 1.5396 1.5396 1.5396 7.7647 7.7647 7.7649 7.7649 10.9680 10.9680 10.9684 10.9684 16.8864 16.8864 16.8866 16.8866 k = 0.2397 0.3173-0.0000 ( 2294 PWs) bands (ev): -89.8417 -89.8417 -89.8417 -89.8417 -89.7920 -89.7920 -89.7920 -89.7920 1.4658 1.4658 1.4658 1.4658 7.6743 7.6743 7.6745 7.6745 11.0099 11.0099 11.0102 11.0102 17.0129 17.0129 17.0132 17.0132 k = 0.2329 0.3173-0.0000 ( 2298 PWs) bands (ev): -89.8420 -89.8420 -89.8420 -89.8420 -89.7922 -89.7922 -89.7922 -89.7922 1.3939 1.3939 1.3939 1.3939 7.5856 7.5856 7.5858 7.5858 11.0472 11.0472 11.0476 11.0476 17.1478 17.1478 17.1481 17.1481 k = 0.2260 0.3173-0.0000 ( 2302 PWs) bands (ev): -89.8423 -89.8423 -89.8423 -89.8423 -89.7924 -89.7924 -89.7924 -89.7924 1.3240 1.3240 1.3240 1.3240 7.4986 7.4986 7.4988 7.4988 11.0802 11.0802 11.0805 11.0805 17.2908 17.2908 17.2910 17.2910 k = 0.2192 0.3173-0.0000 ( 2302 PWs) bands (ev): -89.8426 -89.8426 -89.8426 -89.8426 -89.7926 -89.7926 -89.7926 -89.7926 1.2560 1.2560 1.2560 1.2560 7.4136 7.4136 7.4138 7.4138 11.1090 11.1090 11.1093 11.1093 17.4414 17.4414 17.4417 17.4417 k = 0.2123 0.3173-0.0000 ( 2306 PWs) bands (ev): -89.8429 -89.8429 -89.8429 -89.8429 -89.7928 -89.7928 -89.7928 -89.7928 1.1900 1.1900 1.1900 1.1900 7.3307 7.3307 7.3308 7.3308 11.1337 11.1337 11.1340 11.1340 17.5994 17.5994 17.5997 17.5997 k = 0.2055 0.3173-0.0000 ( 2304 PWs) bands (ev): -89.8431 -89.8431 -89.8431 -89.8431 -89.7931 -89.7931 -89.7931 -89.7931 1.1261 1.1261 1.1261 1.1261 7.2499 7.2499 7.2500 7.2500 11.1546 11.1546 11.1549 11.1549 17.7643 17.7643 17.7646 17.7646 k = 0.1986 0.3173-0.0000 ( 2304 PWs) bands (ev): -89.8434 -89.8434 -89.8434 -89.8434 -89.7933 -89.7933 -89.7933 -89.7933 1.0641 1.0641 1.0641 1.0641 7.1713 7.1713 7.1715 7.1715 11.1721 11.1721 11.1723 11.1723 17.9357 17.9357 17.9359 17.9359 k = 0.1918 0.3173-0.0000 ( 2304 PWs) bands (ev): -89.8437 -89.8437 -89.8437 -89.8437 -89.7935 -89.7935 -89.7935 -89.7935 1.0041 1.0041 1.0041 1.0041 7.0951 7.0951 7.0952 7.0952 11.1862 11.1862 11.1865 11.1865 18.1130 18.1130 18.1133 18.1133 k = 0.1849 0.3173-0.0000 ( 2304 PWs) bands (ev): -89.8440 -89.8440 -89.8440 -89.8440 -89.7937 -89.7937 -89.7937 -89.7937 0.9462 0.9462 0.9462 0.9462 7.0212 7.0212 7.0214 7.0214 11.1975 11.1975 11.1977 11.1977 18.2959 18.2959 18.2962 18.2962 k = 0.1781 0.3173-0.0000 ( 2308 PWs) bands (ev): -89.8442 -89.8442 -89.8442 -89.8442 -89.7939 -89.7939 -89.7939 -89.7939 0.8903 0.8903 0.8903 0.8903 6.9498 6.9498 6.9499 6.9499 11.2060 11.2060 11.2062 11.2062 18.4839 18.4839 18.4841 18.4841 k = 0.1712 0.3173-0.0000 ( 2306 PWs) bands (ev): -89.8445 -89.8445 -89.8445 -89.8445 -89.7941 -89.7941 -89.7941 -89.7941 0.8365 0.8365 0.8365 0.8365 6.8808 6.8808 6.8810 6.8810 11.2122 11.2122 11.2124 11.2124 18.6763 18.6763 18.6765 18.6765 k = 0.1644 0.3173-0.0000 ( 2302 PWs) bands (ev): -89.8447 -89.8447 -89.8447 -89.8447 -89.7943 -89.7943 -89.7943 -89.7943 0.7847 0.7847 0.7847 0.7847 6.8144 6.8144 6.8145 6.8145 11.2162 11.2162 11.2164 11.2164 18.8727 18.8727 18.8730 18.8730 k = 0.1575 0.3173-0.0000 ( 2302 PWs) bands (ev): -89.8450 -89.8450 -89.8450 -89.8450 -89.7945 -89.7945 -89.7945 -89.7945 0.7350 0.7350 0.7350 0.7350 6.7505 6.7505 6.7506 6.7506 11.2183 11.2183 11.2185 11.2185 19.0726 19.0726 19.0728 19.0728 k = 0.1507 0.3173-0.0000 ( 2310 PWs) bands (ev): -89.8452 -89.8452 -89.8452 -89.8452 -89.7946 -89.7946 -89.7946 -89.7946 0.6873 0.6873 0.6873 0.6873 6.6892 6.6892 6.6893 6.6893 11.2189 11.2189 11.2191 11.2191 19.2753 19.2753 19.2755 19.2755 k = 0.1438 0.3173-0.0000 ( 2318 PWs) bands (ev): -89.8455 -89.8455 -89.8455 -89.8455 -89.7948 -89.7948 -89.7948 -89.7948 0.6417 0.6417 0.6417 0.6417 6.6305 6.6305 6.6305 6.6305 11.2180 11.2180 11.2182 11.2182 19.4801 19.4801 19.4803 19.4803 k = 0.1370 0.3173-0.0000 ( 2304 PWs) bands (ev): -89.8457 -89.8457 -89.8457 -89.8457 -89.7950 -89.7950 -89.7950 -89.7950 0.5983 0.5983 0.5983 0.5983 6.5744 6.5744 6.5744 6.5744 11.2160 11.2160 11.2161 11.2161 19.6863 19.6863 19.6866 19.6866 k = 0.1301 0.3173-0.0000 ( 2308 PWs) bands (ev): -89.8459 -89.8459 -89.8459 -89.8459 -89.7951 -89.7951 -89.7951 -89.7951 0.5568 0.5568 0.5569 0.5569 6.5209 6.5209 6.5210 6.5210 11.2129 11.2129 11.2131 11.2131 19.8932 19.8932 19.8934 19.8934 k = 0.1233 0.3173-0.0000 ( 2310 PWs) bands (ev): -89.8461 -89.8461 -89.8461 -89.8461 -89.7953 -89.7953 -89.7953 -89.7953 0.5175 0.5175 0.5175 0.5175 6.4701 6.4701 6.4702 6.4702 11.2091 11.2091 11.2092 11.2092 20.0996 20.0996 20.0999 20.0999 k = 0.1164 0.3173-0.0000 ( 2310 PWs) bands (ev): -89.8463 -89.8463 -89.8463 -89.8463 -89.7955 -89.7955 -89.7955 -89.7955 0.4803 0.4803 0.4803 0.4803 6.4220 6.4220 6.4220 6.4220 11.2046 11.2046 11.2048 11.2048 20.3045 20.3045 20.3047 20.3047 k = 0.1096 0.3173-0.0000 ( 2314 PWs) bands (ev): -89.8465 -89.8465 -89.8465 -89.8465 -89.7956 -89.7956 -89.7956 -89.7956 0.4452 0.4452 0.4452 0.4452 6.3765 6.3765 6.3766 6.3766 11.1997 11.1997 11.1998 11.1998 20.5061 20.5061 20.5064 20.5064 k = 0.1027 0.3173-0.0000 ( 2314 PWs) bands (ev): -89.8467 -89.8467 -89.8467 -89.8467 -89.7957 -89.7957 -89.7957 -89.7957 0.4122 0.4122 0.4122 0.4122 6.3338 6.3338 6.3339 6.3339 11.1944 11.1944 11.1945 11.1945 20.7027 20.7027 20.7030 20.7030 k = 0.0959 0.3173-0.0000 ( 2318 PWs) bands (ev): -89.8469 -89.8469 -89.8469 -89.8469 -89.7959 -89.7959 -89.7959 -89.7959 0.3813 0.3813 0.3814 0.3814 6.2938 6.2938 6.2938 6.2938 11.1889 11.1889 11.1890 11.1890 20.8914 20.8914 20.8917 20.8917 k = 0.0890 0.3173-0.0000 ( 2322 PWs) bands (ev): -89.8470 -89.8470 -89.8470 -89.8470 -89.7960 -89.7960 -89.7960 -89.7960 0.3526 0.3526 0.3526 0.3526 6.2565 6.2565 6.2565 6.2565 11.1833 11.1833 11.1834 11.1834 21.0688 21.0688 21.0692 21.0692 k = 0.0822 0.3173-0.0000 ( 2318 PWs) bands (ev): -89.8472 -89.8472 -89.8472 -89.8472 -89.7961 -89.7961 -89.7961 -89.7961 0.3259 0.3259 0.3259 0.3259 6.2219 6.2219 6.2220 6.2220 11.1778 11.1778 11.1779 11.1779 21.2304 21.2304 21.2307 21.2307 k = 0.0753 0.3173-0.0000 ( 2318 PWs) bands (ev): -89.8473 -89.8473 -89.8473 -89.8473 -89.7962 -89.7962 -89.7962 -89.7962 0.3014 0.3014 0.3014 0.3014 6.1901 6.1901 6.1902 6.1902 11.1724 11.1724 11.1724 11.1724 21.3709 21.3709 21.3713 21.3713 k = 0.0685 0.3173-0.0000 ( 2318 PWs) bands (ev): -89.8474 -89.8474 -89.8474 -89.8474 -89.7963 -89.7963 -89.7963 -89.7963 0.2790 0.2790 0.2790 0.2790 6.1610 6.1610 6.1611 6.1611 11.1671 11.1671 11.1672 11.1672 21.4862 21.4862 21.4866 21.4866 k = 0.0616 0.3173-0.0000 ( 2318 PWs) bands (ev): -89.8476 -89.8476 -89.8476 -89.8476 -89.7964 -89.7964 -89.7964 -89.7964 0.2587 0.2587 0.2587 0.2587 6.1347 6.1347 6.1347 6.1347 11.1622 11.1622 11.1622 11.1623 21.5751 21.5751 21.5755 21.5755 k = 0.0548 0.3173-0.0000 ( 2318 PWs) bands (ev): -89.8477 -89.8477 -89.8477 -89.8477 -89.7965 -89.7965 -89.7965 -89.7965 0.2406 0.2406 0.2406 0.2406 6.1111 6.1111 6.1112 6.1112 11.1576 11.1576 11.1576 11.1576 21.6402 21.6402 21.6405 21.6405 k = 0.0479 0.3173-0.0000 ( 2318 PWs) bands (ev): -89.8478 -89.8478 -89.8478 -89.8478 -89.7965 -89.7965 -89.7965 -89.7965 0.2245 0.2245 0.2245 0.2245 6.0903 6.0903 6.0904 6.0904 11.1534 11.1534 11.1534 11.1534 21.6864 21.6864 21.6867 21.6867 k = 0.0411 0.3173-0.0000 ( 2318 PWs) bands (ev): -89.8478 -89.8478 -89.8478 -89.8478 -89.7966 -89.7966 -89.7966 -89.7966 0.2107 0.2107 0.2107 0.2107 6.0723 6.0723 6.0723 6.0723 11.1496 11.1496 11.1497 11.1497 21.7189 21.7189 21.7192 21.7192 k = 0.0342 0.3173-0.0000 ( 2314 PWs) bands (ev): -89.8479 -89.8479 -89.8479 -89.8479 -89.7966 -89.7966 -89.7966 -89.7966 0.1989 0.1989 0.1989 0.1989 6.0570 6.0570 6.0571 6.0571 11.1464 11.1464 11.1465 11.1465 21.7417 21.7417 21.7419 21.7419 k = 0.0274 0.3173-0.0000 ( 2314 PWs) bands (ev): -89.8480 -89.8480 -89.8480 -89.8480 -89.7967 -89.7967 -89.7967 -89.7967 0.1893 0.1893 0.1893 0.1893 6.0445 6.0445 6.0446 6.0446 11.1437 11.1437 11.1438 11.1438 21.7576 21.7576 21.7578 21.7578 k = 0.0205 0.3173-0.0000 ( 2314 PWs) bands (ev): -89.8480 -89.8480 -89.8480 -89.8480 -89.7967 -89.7967 -89.7967 -89.7967 0.1818 0.1818 0.1818 0.1818 6.0348 6.0348 6.0348 6.0348 11.1416 11.1416 11.1416 11.1416 21.7685 21.7685 21.7687 21.7687 k = 0.0137 0.3173-0.0000 ( 2322 PWs) bands (ev): -89.8480 -89.8480 -89.8480 -89.8480 -89.7967 -89.7967 -89.7967 -89.7967 0.1765 0.1765 0.1765 0.1765 6.0279 6.0279 6.0279 6.0279 11.1401 11.1401 11.1401 11.1401 21.7755 21.7755 21.7757 21.7757 k = 0.0068 0.3173-0.0000 ( 2326 PWs) bands (ev): -89.8481 -89.8481 -89.8481 -89.8481 -89.7968 -89.7968 -89.7968 -89.7968 0.1733 0.1733 0.1733 0.1733 6.0237 6.0237 6.0237 6.0237 11.1391 11.1391 11.1392 11.1392 21.7795 21.7795 21.7796 21.7796 k = 0.0000 0.3173-0.0000 ( 2330 PWs) bands (ev): -89.8481 -89.8481 -89.8481 -89.8481 -89.7968 -89.7968 -89.7968 -89.7968 0.1722 0.1722 0.1722 0.1722 6.0223 6.0223 6.0223 6.0223 11.1388 11.1388 11.1388 11.1388 21.7807 21.7807 21.7809 21.7809 k = 0.0000 0.3173-0.0000 ( 2330 PWs) bands (ev): -89.8481 -89.8481 -89.8481 -89.8481 -89.7968 -89.7968 -89.7968 -89.7968 0.1722 0.1722 0.1722 0.1722 6.0223 6.0223 6.0223 6.0223 11.1388 11.1388 11.1388 11.1388 21.7807 21.7807 21.7809 21.7809 k = 0.0000 0.3104-0.0000 ( 2320 PWs) bands (ev): -89.8491 -89.8491 -89.8471 -89.8471 -89.7972 -89.7972 -89.7964 -89.7964 0.0753 0.0753 0.2712 0.2712 5.9554 5.9554 6.0888 6.0888 11.1274 11.1274 11.1529 11.1529 21.5594 21.5595 21.9913 21.9916 k = 0.0000 0.3035-0.0000 ( 2316 PWs) bands (ev): -89.8501 -89.8501 -89.8461 -89.8461 -89.7976 -89.7976 -89.7960 -89.7960 -0.0195 -0.0195 0.3722 0.3722 5.8882 5.8882 6.1545 6.1545 11.1183 11.1184 11.1699 11.1699 21.3312 21.3313 22.1841 22.1844 k = 0.0000 0.2966-0.0000 ( 2316 PWs) bands (ev): -89.8510 -89.8510 -89.8451 -89.8451 -89.7980 -89.7980 -89.7956 -89.7956 -0.1123 -0.1123 0.4753 0.4753 5.8208 5.8208 6.2195 6.2195 11.1112 11.1112 11.1901 11.1901 21.0987 21.0988 22.3449 22.3453 k = 0.0000 0.2897-0.0000 ( 2322 PWs) bands (ev): -89.8520 -89.8520 -89.8440 -89.8440 -89.7984 -89.7984 -89.7952 -89.7952 -0.2029 -0.2029 0.5804 0.5804 5.7535 5.7535 6.2834 6.2834 11.1057 11.1057 11.2139 11.2139 20.8641 20.8641 22.4469 22.4474 k = 0.0000 0.2828-0.0000 ( 2322 PWs) bands (ev): -89.8530 -89.8530 -89.8430 -89.8430 -89.7988 -89.7988 -89.7948 -89.7948 -0.2914 -0.2914 0.6875 0.6875 5.6863 5.6863 6.3461 6.3461 11.1014 11.1014 11.2415 11.2415 20.6286 20.6287 22.4687 22.4691 k = 0.0000 0.2759-0.0000 ( 2322 PWs) bands (ev): -89.8540 -89.8540 -89.8421 -89.8421 -89.7992 -89.7992 -89.7944 -89.7944 -0.3778 -0.3778 0.7966 0.7966 5.6195 5.6195 6.4075 6.4075 11.0979 11.0980 11.2732 11.2732 20.3937 20.3938 22.4314 22.4317 k = 0.0000 0.2690-0.0000 ( 2322 PWs) bands (ev): -89.8550 -89.8550 -89.8411 -89.8411 -89.7996 -89.7996 -89.7941 -89.7941 -0.4621 -0.4621 0.9077 0.9077 5.5531 5.5531 6.4674 6.4674 11.0949 11.0949 11.3092 11.3092 20.1603 20.1604 22.3670 22.3672 k = 0.0000 0.2621-0.0000 ( 2322 PWs) bands (ev): -89.8559 -89.8559 -89.8401 -89.8401 -89.8000 -89.8000 -89.7937 -89.7937 -0.5443 -0.5443 1.0207 1.0207 5.4874 5.4874 6.5256 6.5256 11.0918 11.0919 11.3497 11.3497 19.9295 19.9296 22.2916 22.2918 k = 0.0000 0.2552-0.0000 ( 2326 PWs) bands (ev): -89.8568 -89.8568 -89.8391 -89.8391 -89.8004 -89.8004 -89.7933 -89.7933 -0.6243 -0.6243 1.1356 1.1356 5.4225 5.4225 6.5820 6.5820 11.0883 11.0883 11.3950 11.3950 19.7021 19.7022 22.2120 22.2121 k = 0.0000 0.2483-0.0000 ( 2326 PWs) bands (ev): -89.8578 -89.8578 -89.8381 -89.8381 -89.8008 -89.8008 -89.7930 -89.7930 -0.7022 -0.7022 1.2524 1.2524 5.3584 5.3584 6.6364 6.6364 11.0838 11.0838 11.4452 11.4452 19.4789 19.4790 22.1309 22.1310 k = 0.0000 0.2414-0.0000 ( 2326 PWs) bands (ev): -89.8587 -89.8587 -89.8371 -89.8371 -89.8012 -89.8012 -89.7926 -89.7926 -0.7780 -0.7780 1.3710 1.3710 5.2954 5.2954 6.6888 6.6888 11.0779 11.0779 11.5005 11.5005 19.2608 19.2608 22.0499 22.0500 k = 0.0000 0.2345-0.0000 ( 2326 PWs) bands (ev): -89.8596 -89.8596 -89.8362 -89.8362 -89.8016 -89.8016 -89.7923 -89.7923 -0.8516 -0.8516 1.4914 1.4914 5.2335 5.2335 6.7391 6.7391 11.0700 11.0700 11.5610 11.5611 19.0483 19.0483 21.9698 21.9698 k = 0.0000 0.2276-0.0000 ( 2326 PWs) bands (ev): -89.8605 -89.8605 -89.8352 -89.8352 -89.8019 -89.8019 -89.7920 -89.7920 -0.9231 -0.9231 1.6135 1.6135 5.1729 5.1729 6.7870 6.7870 11.0596 11.0596 11.6269 11.6269 18.8423 18.8424 21.8909 21.8909 k = 0.0000 0.2208-0.0000 ( 2326 PWs) bands (ev): -89.8614 -89.8614 -89.8343 -89.8343 -89.8023 -89.8023 -89.7917 -89.7917 -0.9925 -0.9925 1.7373 1.7373 5.1137 5.1137 6.8327 6.8327 11.0461 11.0461 11.6982 11.6982 18.6436 18.6436 21.8136 21.8136 k = 0.0000 0.2139-0.0000 ( 2320 PWs) bands (ev): -89.8622 -89.8622 -89.8334 -89.8334 -89.8027 -89.8027 -89.7913 -89.7913 -1.0597 -1.0597 1.8627 1.8627 5.0560 5.0560 6.8761 6.8761 11.0290 11.0290 11.7749 11.7750 18.4526 18.4527 21.7380 21.7381 k = 0.0000 0.2070-0.0000 ( 2320 PWs) bands (ev): -89.8631 -89.8631 -89.8325 -89.8325 -89.8031 -89.8031 -89.7910 -89.7910 -1.1248 -1.1248 1.9896 1.9896 5.0001 5.0001 6.9170 6.9170 11.0077 11.0077 11.8572 11.8572 18.2702 18.2703 21.6644 21.6645 k = 0.0000 0.2001-0.0000 ( 2320 PWs) bands (ev): -89.8639 -89.8639 -89.8316 -89.8316 -89.8034 -89.8034 -89.7907 -89.7907 -1.1877 -1.1877 2.1178 2.1178 4.9459 4.9459 6.9556 6.9556 10.9815 10.9815 11.9450 11.9450 18.0971 18.0971 21.5928 21.5929 k = 0.0000 0.1932-0.0000 ( 2314 PWs) bands (ev): -89.8647 -89.8647 -89.8307 -89.8307 -89.8038 -89.8038 -89.7905 -89.7905 -1.2485 -1.2485 2.2473 2.2473 4.8938 4.8938 6.9918 6.9918 10.9501 10.9501 12.0383 12.0384 17.9337 17.9337 21.5232 21.5233 k = 0.0000 0.1863-0.0000 ( 2308 PWs) bands (ev): -89.8655 -89.8655 -89.8299 -89.8299 -89.8041 -89.8041 -89.7902 -89.7902 -1.3072 -1.3072 2.3778 2.3778 4.8438 4.8438 7.0257 7.0257 10.9127 10.9128 12.1372 12.1372 17.7807 17.7807 21.4558 21.4559 k = 0.0000 0.1794-0.0000 ( 2312 PWs) bands (ev): -89.8662 -89.8662 -89.8290 -89.8290 -89.8045 -89.8045 -89.7899 -89.7899 -1.3637 -1.3637 2.5093 2.5093 4.7961 4.7961 7.0574 7.0574 10.8691 10.8691 12.2414 12.2414 17.6386 17.6387 21.3904 21.3905 k = 0.0000 0.1725-0.0000 ( 2312 PWs) bands (ev): -89.8670 -89.8670 -89.8282 -89.8282 -89.8048 -89.8048 -89.7897 -89.7897 -1.4181 -1.4181 2.6413 2.6413 4.7512 4.7512 7.0867 7.0867 10.8186 10.8186 12.3510 12.3511 17.5079 17.5079 21.3272 21.3274 k = 0.0000 0.1656-0.0000 ( 2308 PWs) bands (ev): -89.8677 -89.8677 -89.8274 -89.8274 -89.8051 -89.8051 -89.7894 -89.7894 -1.4703 -1.4703 2.7735 2.7735 4.7091 4.7091 7.1140 7.1140 10.7611 10.7611 12.4659 12.4660 17.3889 17.3890 21.2661 21.2663 k = 0.0000 0.1587-0.0000 ( 2312 PWs) bands (ev): -89.8684 -89.8684 -89.8266 -89.8266 -89.8054 -89.8054 -89.7892 -89.7892 -1.5204 -1.5204 2.9055 2.9055 4.6704 4.6704 7.1392 7.1392 10.6962 10.6962 12.5860 12.5860 17.2819 17.2820 21.2068 21.2071 k = 0.0000 0.1518-0.0000 ( 2301 PWs) bands (ev): -89.8691 -89.8691 -89.8259 -89.8259 -89.8057 -89.8057 -89.7890 -89.7890 -1.5684 -1.5684 3.0368 3.0368 4.6357 4.6357 7.1624 7.1624 10.6238 10.6238 12.7112 12.7112 17.1870 17.1871 21.1490 21.1493 k = 0.0000 0.1449-0.0000 ( 2295 PWs) bands (ev): -89.8697 -89.8697 -89.8252 -89.8252 -89.8060 -89.8060 -89.7888 -89.7888 -1.6142 -1.6142 3.1663 3.1663 4.6057 4.6057 7.1837 7.1837 10.5438 10.5438 12.8413 12.8413 17.1042 17.1043 21.0904 21.0909 k = 0.0000 0.1380-0.0000 ( 2291 PWs) bands (ev): -89.8703 -89.8703 -89.8244 -89.8244 -89.8063 -89.8063 -89.7886 -89.7886 -1.6579 -1.6579 3.2930 3.2930 4.5814 4.5815 7.2032 7.2032 10.4565 10.4565 12.9762 12.9762 17.0335 17.0335 21.0169 21.0180 k = 0.0000 0.1311-0.0000 ( 2291 PWs) bands (ev): -89.8709 -89.8709 -89.8238 -89.8238 -89.8066 -89.8066 -89.7884 -89.7884 -1.6994 -1.6994 3.4152 3.4152 4.5645 4.5645 7.2211 7.2211 10.3620 10.3620 13.1158 13.1158 16.9744 16.9744 20.8552 20.8560 k = 0.0000 0.1242-0.0000 ( 2293 PWs) bands (ev): -89.8715 -89.8715 -89.8231 -89.8231 -89.8068 -89.8068 -89.7882 -89.7882 -1.7388 -1.7388 3.5306 3.5306 4.5571 4.5571 7.2373 7.2373 10.2607 10.2607 13.2599 13.2600 16.9267 16.9268 20.6389 20.6394 k = 0.0000 0.1173-0.0000 ( 2305 PWs) bands (ev): -89.8720 -89.8720 -89.8225 -89.8225 -89.8071 -89.8071 -89.7880 -89.7880 -1.7761 -1.7761 3.6362 3.6362 4.5620 4.5620 7.2521 7.2521 10.1530 10.1530 13.4085 13.4085 16.8899 16.8899 20.4141 20.4144 k = 0.0000 0.1104-0.0000 ( 2305 PWs) bands (ev): -89.8725 -89.8725 -89.8219 -89.8219 -89.8073 -89.8073 -89.7879 -89.7879 -1.8112 -1.8112 3.7282 3.7282 4.5827 4.5827 7.2655 7.2655 10.0395 10.0395 13.5612 13.5612 16.8633 16.8633 20.1868 20.1871 k = 0.0000 0.1035-0.0000 ( 2303 PWs) bands (ev): -89.8730 -89.8730 -89.8214 -89.8214 -89.8075 -89.8075 -89.7877 -89.7877 -1.8442 -1.8442 3.8033 3.8033 4.6223 4.6224 7.2775 7.2775 9.9210 9.9210 13.7180 13.7181 16.8462 16.8463 19.9585 19.9587 k = 0.0000 0.0966-0.0000 ( 2301 PWs) bands (ev): -89.8735 -89.8735 -89.8208 -89.8208 -89.8077 -89.8077 -89.7876 -89.7876 -1.8751 -1.8751 3.8597 3.8597 4.6825 4.6825 7.2884 7.2884 9.7982 9.7982 13.8788 13.8788 16.8379 16.8379 19.7299 19.7301 k = 0.0000 0.0897-0.0000 ( 2301 PWs) bands (ev): -89.8739 -89.8739 -89.8203 -89.8203 -89.8079 -89.8079 -89.7875 -89.7875 -1.9038 -1.9038 3.8981 3.8981 4.7618 4.7619 7.2982 7.2982 9.6719 9.6719 14.0432 14.0432 16.8374 16.8374 19.5016 19.5017 k = 0.0000 0.0828-0.0000 ( 2301 PWs) bands (ev): -89.8743 -89.8743 -89.8199 -89.8199 -89.8081 -89.8081 -89.7873 -89.7873 -1.9304 -1.9304 3.9216 3.9217 4.8569 4.8569 7.3069 7.3069 9.5432 9.5432 14.2112 14.2112 16.8437 16.8437 19.2739 19.2740 k = 0.0000 0.0759-0.0000 ( 2301 PWs) bands (ev): -89.8747 -89.8747 -89.8194 -89.8194 -89.8083 -89.8083 -89.7872 -89.7872 -1.9549 -1.9549 3.9342 3.9342 4.9630 4.9630 7.3146 7.3146 9.4132 9.4132 14.3824 14.3824 16.8559 16.8559 19.0473 19.0474 k = 0.0000 0.0690-0.0000 ( 2303 PWs) bands (ev): -89.8750 -89.8750 -89.8190 -89.8190 -89.8084 -89.8084 -89.7871 -89.7871 -1.9772 -1.9772 3.9393 3.9394 5.0761 5.0761 7.3214 7.3214 9.2831 9.2831 14.5566 14.5567 16.8729 16.8729 18.8222 18.8223 k = 0.0000 0.0621-0.0000 ( 2291 PWs) bands (ev): -89.8753 -89.8753 -89.8187 -89.8187 -89.8086 -89.8086 -89.7871 -89.7871 -1.9974 -1.9974 3.9397 3.9397 5.1925 5.1925 7.3274 7.3274 9.1542 9.1542 14.7335 14.7336 16.8935 16.8935 18.5990 18.5991 k = 0.0000 0.0552-0.0000 ( 2291 PWs) bands (ev): -89.8756 -89.8756 -89.8183 -89.8183 -89.8087 -89.8087 -89.7870 -89.7870 -2.0155 -2.0155 3.9371 3.9371 5.3090 5.3091 7.3327 7.3327 9.0282 9.0282 14.9127 14.9127 16.9166 16.9166 18.3783 18.3784 k = 0.0000 0.0483-0.0000 ( 2283 PWs) bands (ev): -89.8758 -89.8758 -89.8181 -89.8181 -89.8088 -89.8088 -89.7869 -89.7869 -2.0314 -2.0314 3.9330 3.9330 5.4230 5.4230 7.3371 7.3371 8.9069 8.9069 15.0935 15.0935 16.9410 16.9410 18.1606 18.1607 k = 0.0000 0.0414-0.0000 ( 2285 PWs) bands (ev): -89.8760 -89.8760 -89.8178 -89.8178 -89.8089 -89.8089 -89.7869 -89.7869 -2.0453 -2.0453 3.9282 3.9282 5.5315 5.5315 7.3409 7.3409 8.7925 8.7925 15.2751 15.2751 16.9654 16.9654 17.9470 17.9471 k = 0.0000 0.0345-0.0000 ( 2289 PWs) bands (ev): -89.8762 -89.8762 -89.8176 -89.8176 -89.8090 -89.8090 -89.7868 -89.7868 -2.0570 -2.0570 3.9234 3.9234 5.6318 5.6318 7.3441 7.3441 8.6876 8.6876 15.4560 15.4560 16.9887 16.9887 17.7389 17.7390 k = 0.0000 0.0276-0.0000 ( 2289 PWs) bands (ev): -89.8764 -89.8764 -89.8174 -89.8174 -89.8091 -89.8091 -89.7868 -89.7868 -2.0665 -2.0665 3.9190 3.9190 5.7207 5.7207 7.3466 7.3466 8.5950 8.5950 15.6339 15.6339 17.0097 17.0097 17.5388 17.5388 k = 0.0000 0.0207-0.0000 ( 2289 PWs) bands (ev): -89.8765 -89.8765 -89.8173 -89.8173 -89.8091 -89.8091 -89.7867 -89.7867 -2.0740 -2.0740 3.9153 3.9153 5.7949 5.7949 7.3486 7.3486 8.5180 8.5180 15.8041 15.8041 17.0272 17.0272 17.3512 17.3513 k = 0.0000 0.0138-0.0000 ( 2289 PWs) bands (ev): -89.8766 -89.8766 -89.8172 -89.8172 -89.8092 -89.8092 -89.7867 -89.7867 -2.0793 -2.0793 3.9125 3.9125 5.8511 5.8511 7.3499 7.3499 8.4598 8.4598 15.9571 15.9571 17.0405 17.0405 17.1858 17.1859 k = 0.0000 0.0069-0.0000 ( 2289 PWs) bands (ev): -89.8766 -89.8766 -89.8171 -89.8171 -89.8092 -89.8092 -89.7867 -89.7867 -2.0825 -2.0825 3.9108 3.9108 5.8862 5.8862 7.3508 7.3508 8.4235 8.4235 16.0731 16.0731 17.0488 17.0488 17.0624 17.0624 k = 0.0000 0.0000 0.0000 ( 2281 PWs) bands (ev): -89.8766 -89.8766 -89.8171 -89.8171 -89.8092 -89.8092 -89.7867 -89.7867 -2.0835 -2.0835 3.9103 3.9103 5.8981 5.8981 7.3510 7.3510 8.4111 8.4111 16.1189 16.1189 17.0141 17.0141 17.0516 17.0516 k = 0.0000 0.0000 0.0000 ( 2281 PWs) bands (ev): -89.8766 -89.8766 -89.8171 -89.8171 -89.8092 -89.8092 -89.7867 -89.7867 -2.0835 -2.0835 3.9103 3.9103 5.8981 5.8981 7.3510 7.3510 8.4111 8.4111 16.1189 16.1189 17.0141 17.0141 17.0516 17.0516 k = 0.0000 0.0000 0.0069 ( 2289 PWs) bands (ev): -89.8766 -89.8766 -89.8172 -89.8172 -89.8091 -89.8091 -89.7867 -89.7867 -2.0825 -2.0825 3.9037 3.9037 5.8935 5.8935 7.3650 7.3650 8.4102 8.4102 16.0952 16.0952 17.0098 17.0098 17.0774 17.0774 k = 0.0000 0.0000 0.0137 ( 2287 PWs) bands (ev): -89.8766 -89.8766 -89.8175 -89.8175 -89.8089 -89.8089 -89.7867 -89.7867 -2.0793 -2.0793 3.8840 3.8840 5.8803 5.8803 7.4059 7.4059 8.4073 8.4073 16.0309 16.0310 16.9970 16.9970 17.1482 17.1483 k = 0.0000 0.0000 0.0206 ( 2291 PWs) bands (ev): -89.8765 -89.8765 -89.8179 -89.8179 -89.8086 -89.8086 -89.7867 -89.7867 -2.0740 -2.0740 3.8516 3.8516 5.8608 5.8608 7.4713 7.4713 8.4026 8.4026 15.9394 15.9394 16.9761 16.9761 17.2507 17.2507 k = 0.0000 0.0000 0.0275 ( 2295 PWs) bands (ev): -89.8764 -89.8764 -89.8184 -89.8184 -89.8081 -89.8081 -89.7867 -89.7867 -2.0666 -2.0666 3.8068 3.8068 5.8377 5.8377 7.5580 7.5580 8.3959 8.3959 15.8319 15.8319 16.9477 16.9477 17.3732 17.3733 k = 0.0000 0.0000 0.0344 ( 2295 PWs) bands (ev): -89.8763 -89.8763 -89.8190 -89.8190 -89.8076 -89.8076 -89.7867 -89.7867 -2.0571 -2.0571 3.7504 3.7504 5.8135 5.8136 7.6626 7.6626 8.3874 8.3874 15.7158 15.7159 16.9126 16.9126 17.5085 17.5085 k = 0.0000 0.0000 0.0412 ( 2295 PWs) bands (ev): -89.8761 -89.8761 -89.8197 -89.8197 -89.8071 -89.8071 -89.7868 -89.7868 -2.0455 -2.0455 3.6832 3.6832 5.7907 5.7907 7.7820 7.7820 8.3769 8.3769 15.5956 15.5956 16.8717 16.8718 17.6519 17.6520 k = 0.0000 0.0000 0.0481 ( 2297 PWs) bands (ev): -89.8759 -89.8759 -89.8204 -89.8204 -89.8065 -89.8065 -89.7868 -89.7868 -2.0317 -2.0317 3.6062 3.6062 5.7706 5.7706 7.9135 7.9135 8.3645 8.3645 15.4737 15.4738 16.8260 16.8261 17.8006 17.8007 k = 0.0000 0.0000 0.0550 ( 2297 PWs) bands (ev): -89.8757 -89.8757 -89.8212 -89.8212 -89.8059 -89.8059 -89.7868 -89.7868 -2.0159 -2.0159 3.5205 3.5205 5.7542 5.7542 8.0552 8.0552 8.3501 8.3501 15.3519 15.3519 16.7764 16.7765 17.9528 17.9529 k = 0.0000 0.0000 0.0619 ( 2289 PWs) bands (ev): -89.8754 -89.8754 -89.8220 -89.8220 -89.8053 -89.8053 -89.7868 -89.7868 -1.9979 -1.9979 3.4271 3.4271 5.7422 5.7422 8.2051 8.2051 8.3338 8.3339 15.2311 15.2312 16.7240 16.7240 18.1071 18.1072 k = 0.0000 0.0000 0.0687 ( 2289 PWs) bands (ev): -89.8752 -89.8752 -89.8229 -89.8229 -89.8047 -89.8047 -89.7869 -89.7869 -1.9778 -1.9778 3.3272 3.3272 5.7346 5.7346 8.3156 8.3156 8.3619 8.3619 15.1122 15.1122 16.6695 16.6695 18.2623 18.2624 k = 0.0000 0.0000 0.0756 ( 2289 PWs) bands (ev): -89.8749 -89.8749 -89.8237 -89.8237 -89.8041 -89.8041 -89.7869 -89.7869 -1.9556 -1.9556 3.2219 3.2219 5.7315 5.7315 8.2955 8.2955 8.5244 8.5244 14.9955 14.9955 16.6139 16.6139 18.4176 18.4177 k = 0.0000 0.0000 0.0825 ( 2285 PWs) bands (ev): -89.8745 -89.8745 -89.8246 -89.8246 -89.8035 -89.8035 -89.7870 -89.7870 -1.9312 -1.9312 3.1120 3.1120 5.7327 5.7327 8.2734 8.2734 8.6917 8.6917 14.8814 14.8815 16.5579 16.5580 18.5720 18.5721 k = 0.0000 0.0000 0.0894 ( 2289 PWs) bands (ev): -89.8742 -89.8742 -89.8255 -89.8255 -89.8030 -89.8030 -89.7870 -89.7870 -1.9048 -1.9048 2.9985 2.9985 5.7380 5.7380 8.2493 8.2493 8.8629 8.8629 14.7703 14.7704 16.5024 16.5025 18.7245 18.7246 k = 0.0000 0.0000 0.0962 ( 2286 PWs) bands (ev): -89.8738 -89.8738 -89.8264 -89.8264 -89.8024 -89.8024 -89.7870 -89.7870 -1.8762 -1.8762 2.8821 2.8821 5.7471 5.7471 8.2233 8.2233 9.0372 9.0372 14.6624 14.6624 16.4480 16.4481 18.8743 18.8744 k = 0.0000 0.0000 0.1031 ( 2282 PWs) bands (ev): -89.8734 -89.8734 -89.8273 -89.8273 -89.8018 -89.8018 -89.7871 -89.7871 -1.8455 -1.8455 2.7635 2.7635 5.7598 5.7598 8.1954 8.1954 9.2141 9.2141 14.5577 14.5578 16.3955 16.3955 19.0201 19.0202 k = 0.0000 0.0000 0.1100 ( 2286 PWs) bands (ev): -89.8729 -89.8729 -89.8283 -89.8283 -89.8012 -89.8012 -89.7872 -89.7872 -1.8127 -1.8127 2.6434 2.6434 5.7758 5.7758 8.1655 8.1655 9.3929 9.3929 14.4565 14.4565 16.3453 16.3454 19.1609 19.1610 k = 0.0000 0.0000 0.1168 ( 2286 PWs) bands (ev): -89.8725 -89.8725 -89.8292 -89.8292 -89.8007 -89.8007 -89.7872 -89.7872 -1.7778 -1.7778 2.5221 2.5221 5.7949 5.7949 8.1338 8.1338 9.5729 9.5729 14.3588 14.3588 16.2982 16.2983 19.2952 19.2953 k = 0.0000 0.0000 0.1237 ( 2290 PWs) bands (ev): -89.8720 -89.8720 -89.8302 -89.8302 -89.8001 -89.8001 -89.7873 -89.7873 -1.7408 -1.7408 2.4002 2.4002 5.8169 5.8170 8.1001 8.1001 9.7538 9.7538 14.2647 14.2647 16.2548 16.2548 19.4216 19.4217 k = 0.0000 0.0000 0.1306 ( 2290 PWs) bands (ev): -89.8715 -89.8715 -89.8312 -89.8312 -89.7996 -89.7996 -89.7874 -89.7874 -1.7016 -1.7016 2.2780 2.2780 5.8417 5.8417 8.0646 8.0646 9.9348 9.9348 14.1742 14.1742 16.2156 16.2156 19.5383 19.5384 k = 0.0000 0.0000 0.1375 ( 2294 PWs) bands (ev): -89.8709 -89.8709 -89.8322 -89.8322 -89.7991 -89.7991 -89.7874 -89.7874 -1.6603 -1.6603 2.1558 2.1558 5.8689 5.8689 8.0273 8.0273 10.1154 10.1154 14.0873 14.0873 16.1812 16.1812 19.6435 19.6436 k = 0.0000 0.0000 0.1443 ( 2294 PWs) bands (ev): -89.8704 -89.8704 -89.8332 -89.8332 -89.7986 -89.7986 -89.7875 -89.7875 -1.6169 -1.6169 2.0339 2.0339 5.8986 5.8986 7.9881 7.9881 10.2950 10.2950 14.0040 14.0041 16.1523 16.1523 19.7352 19.7353 k = 0.0000 0.0000 0.1512 ( 2298 PWs) bands (ev): -89.8698 -89.8698 -89.8341 -89.8341 -89.7981 -89.7981 -89.7876 -89.7876 -1.5714 -1.5714 1.9126 1.9126 5.9305 5.9305 7.9473 7.9473 10.4730 10.4730 13.9244 13.9244 16.1295 16.1295 19.8111 19.8112 k = 0.0000 0.0000 0.1581 ( 2306 PWs) bands (ev): -89.8692 -89.8692 -89.8351 -89.8351 -89.7976 -89.7976 -89.7877 -89.7877 -1.5238 -1.5238 1.7920 1.7920 5.9645 5.9645 7.9047 7.9047 10.6487 10.6487 13.8483 13.8483 16.1134 16.1134 19.8691 19.8692 k = 0.0000 0.0000 0.1650 ( 2306 PWs) bands (ev): -89.8686 -89.8686 -89.8361 -89.8361 -89.7971 -89.7971 -89.7878 -89.7878 -1.4740 -1.4740 1.6723 1.6723 6.0006 6.0006 7.8605 7.8605 10.8214 10.8214 13.7756 13.7757 16.1048 16.1048 19.9073 19.9073 k = 0.0000 0.0000 0.1718 ( 2306 PWs) bands (ev): -89.8679 -89.8679 -89.8371 -89.8371 -89.7967 -89.7967 -89.7879 -89.7879 -1.4222 -1.4222 1.5537 1.5537 6.0385 6.0385 7.8148 7.8148 10.9905 10.9905 13.7064 13.7064 16.1042 16.1042 19.9239 19.9239 k = 0.0000 0.0000 0.1787 ( 2302 PWs) bands (ev): -89.8672 -89.8672 -89.8382 -89.8382 -89.7962 -89.7962 -89.7880 -89.7880 -1.3682 -1.3682 1.4363 1.4363 6.0783 6.0783 7.7676 7.7676 11.1552 11.1552 13.6405 13.6405 16.1125 16.1125 19.9179 19.9179 k = 0.0000 0.0000 0.1856 ( 2300 PWs) bands (ev): -89.8665 -89.8665 -89.8392 -89.8392 -89.7958 -89.7958 -89.7881 -89.7881 -1.3121 -1.3121 1.3202 1.3202 6.1198 6.1198 7.7190 7.7190 11.3148 11.3148 13.5776 13.5777 16.1302 16.1303 19.8888 19.8889 k = 0.0000 0.0000 0.1925 ( 2298 PWs) bands (ev): -89.8658 -89.8658 -89.8402 -89.8402 -89.7954 -89.7954 -89.7883 -89.7883 -1.2539 -1.2539 1.2055 1.2055 6.1629 6.1629 7.6691 7.6691 11.4686 11.4686 13.5178 13.5178 16.1581 16.1582 19.8370 19.8370 k = 0.0000 0.0000 0.1993 ( 2310 PWs) bands (ev): -89.8651 -89.8651 -89.8412 -89.8412 -89.7950 -89.7950 -89.7884 -89.7884 -1.1936 -1.1936 1.0922 1.0923 6.2076 6.2076 7.6180 7.6180 11.6158 11.6158 13.4608 13.4608 16.1968 16.1968 19.7632 19.7633 k = 0.0000 0.0000 0.2062 ( 2306 PWs) bands (ev): -89.8643 -89.8643 -89.8422 -89.8422 -89.7946 -89.7946 -89.7885 -89.7885 -1.1311 -1.1311 0.9806 0.9806 6.2537 6.2537 7.5657 7.5657 11.7559 11.7559 13.4063 13.4064 16.2469 16.2469 19.6692 19.6692 k = 0.0000 0.0000 0.2131 ( 2308 PWs) bands (ev): -89.8635 -89.8635 -89.8432 -89.8432 -89.7942 -89.7942 -89.7887 -89.7887 -1.0666 -1.0666 0.8706 0.8706 6.3012 6.3012 7.5124 7.5125 11.8884 11.8884 13.3543 13.3543 16.3087 16.3088 19.5567 19.5568 k = 0.0000 0.0000 0.2199 ( 2304 PWs) bands (ev): -89.8628 -89.8628 -89.8442 -89.8442 -89.7939 -89.7939 -89.7888 -89.7888 -1.0000 -1.0000 0.7623 0.7623 6.3500 6.3500 7.4583 7.4583 12.0127 12.0127 13.3043 13.3043 16.3827 16.3827 19.4280 19.4281 k = 0.0000 0.0000 0.2268 ( 2306 PWs) bands (ev): -89.8619 -89.8619 -89.8452 -89.8452 -89.7935 -89.7935 -89.7890 -89.7890 -0.9312 -0.9312 0.6557 0.6557 6.4000 6.4000 7.4033 7.4033 12.1287 12.1287 13.2561 13.2561 16.4689 16.4689 19.2855 19.2855 k = 0.0000 0.0000 0.2337 ( 2306 PWs) bands (ev): -89.8611 -89.8611 -89.8462 -89.8462 -89.7932 -89.7932 -89.7892 -89.7892 -0.8604 -0.8604 0.5509 0.5509 6.4512 6.4512 7.3476 7.3476 12.2363 12.2363 13.2094 13.2094 16.5672 16.5673 19.1314 19.1314 k = 0.0000 0.0000 0.2406 ( 2302 PWs) bands (ev): -89.8603 -89.8603 -89.8472 -89.8472 -89.7928 -89.7928 -89.7893 -89.7893 -0.7875 -0.7875 0.4480 0.4480 6.5034 6.5034 7.2913 7.2913 12.3355 12.3355 13.1638 13.1638 16.6775 16.6776 18.9679 18.9680 k = 0.0000 0.0000 0.2474 ( 2302 PWs) bands (ev): -89.8594 -89.8594 -89.8482 -89.8482 -89.7925 -89.7925 -89.7895 -89.7895 -0.7125 -0.7125 0.3469 0.3469 6.5565 6.5565 7.2346 7.2346 12.4267 12.4267 13.1189 13.1189 16.7993 16.7994 18.7973 18.7973 k = 0.0000 0.0000 0.2543 ( 2300 PWs) bands (ev): -89.8585 -89.8585 -89.8492 -89.8492 -89.7922 -89.7922 -89.7897 -89.7897 -0.6354 -0.6354 0.2477 0.2477 6.6105 6.6105 7.1775 7.1775 12.5103 12.5103 13.0742 13.0742 16.9320 16.9320 18.6214 18.6215 k = 0.0000 0.0000 0.2612 ( 2308 PWs) bands (ev): -89.8577 -89.8577 -89.8502 -89.8502 -89.7919 -89.7919 -89.7899 -89.7899 -0.5562 -0.5562 0.1504 0.1504 6.6653 6.6653 7.1201 7.1201 12.5867 12.5867 13.0293 13.0293 17.0746 17.0746 18.4422 18.4423 k = 0.0000 0.0000 0.2681 ( 2304 PWs) bands (ev): -89.8568 -89.8568 -89.8511 -89.8511 -89.7916 -89.7916 -89.7901 -89.7901 -0.4750 -0.4750 0.0551 0.0551 6.7208 6.7208 7.0626 7.0626 12.6568 12.6568 12.9836 12.9836 17.2263 17.2263 18.2614 18.2614 k = 0.0000 0.0000 0.2749 ( 2304 PWs) bands (ev): -89.8558 -89.8558 -89.8521 -89.8521 -89.7914 -89.7914 -89.7904 -89.7904 -0.3917 -0.3917 -0.0383 -0.0383 6.7769 6.7769 7.0051 7.0051 12.7211 12.7211 12.9365 12.9366 17.3860 17.3860 18.0805 18.0805 k = 0.0000 0.0000 0.2818 ( 2300 PWs) bands (ev): -89.8549 -89.8549 -89.8530 -89.8530 -89.7911 -89.7911 -89.7906 -89.7906 -0.3064 -0.3064 -0.1297 -0.1297 6.8334 6.8334 6.9477 6.9477 12.7805 12.7805 12.8875 12.8875 17.5525 17.5526 17.9011 17.9012 k = 0.0000 0.0000 0.2887 ( 2296 PWs) bands (ev): -89.8540 -89.8540 -89.8540 -89.8540 -89.7908 -89.7908 -89.7908 -89.7908 -0.2190 -0.2190 -0.2190 -0.2190 6.8904 6.8904 6.8904 6.8904 12.8357 12.8357 12.8357 12.8357 17.7247 17.7247 17.7247 17.7247 k = 0.0000 0.0000 0.2887 ( 2296 PWs) bands (ev): -89.8540 -89.8540 -89.8540 -89.8540 -89.7908 -89.7908 -89.7908 -89.7908 -0.2190 -0.2190 -0.2190 -0.2190 6.8904 6.8904 6.8904 6.8904 12.8357 12.8357 12.8357 12.8357 17.7247 17.7247 17.7247 17.7247 k = 0.0068-0.0000 0.2887 ( 2296 PWs) bands (ev): -89.8540 -89.8540 -89.8540 -89.8540 -89.7908 -89.7908 -89.7908 -89.7908 -0.2180 -0.2180 -0.2180 -0.2180 6.8918 6.8918 6.8918 6.8918 12.8359 12.8359 12.8359 12.8359 17.7246 17.7246 17.7246 17.7246 k = 0.0137-0.0000 0.2887 ( 2300 PWs) bands (ev): -89.8540 -89.8540 -89.8540 -89.8540 -89.7908 -89.7908 -89.7908 -89.7908 -0.2147 -0.2147 -0.2147 -0.2147 6.8960 6.8960 6.8960 6.8960 12.8367 12.8367 12.8367 12.8367 17.7242 17.7242 17.7243 17.7243 k = 0.0205-0.0000 0.2887 ( 2304 PWs) bands (ev): -89.8539 -89.8539 -89.8539 -89.8539 -89.7908 -89.7908 -89.7908 -89.7908 -0.2093 -0.2093 -0.2093 -0.2093 6.9030 6.9030 6.9030 6.9030 12.8379 12.8379 12.8379 12.8379 17.7236 17.7236 17.7237 17.7237 k = 0.0274-0.0000 0.2887 ( 2308 PWs) bands (ev): -89.8539 -89.8539 -89.8539 -89.8539 -89.7908 -89.7908 -89.7908 -89.7908 -0.2017 -0.2017 -0.2017 -0.2017 6.9129 6.9129 6.9129 6.9129 12.8395 12.8395 12.8395 12.8395 17.7227 17.7227 17.7228 17.7228 k = 0.0342-0.0000 0.2887 ( 2304 PWs) bands (ev): -89.8538 -89.8538 -89.8538 -89.8538 -89.7908 -89.7908 -89.7908 -89.7908 -0.1920 -0.1920 -0.1920 -0.1920 6.9255 6.9255 6.9255 6.9255 12.8415 12.8415 12.8415 12.8415 17.7216 17.7216 17.7216 17.7216 k = 0.0411-0.0000 0.2887 ( 2302 PWs) bands (ev): -89.8537 -89.8537 -89.8537 -89.8537 -89.7907 -89.7907 -89.7907 -89.7907 -0.1800 -0.1800 -0.1800 -0.1800 6.9409 6.9409 6.9409 6.9409 12.8438 12.8438 12.8439 12.8439 17.7200 17.7200 17.7200 17.7200 k = 0.0479-0.0000 0.2887 ( 2306 PWs) bands (ev): -89.8536 -89.8536 -89.8536 -89.8536 -89.7907 -89.7907 -89.7907 -89.7907 -0.1660 -0.1660 -0.1660 -0.1660 6.9591 6.9591 6.9592 6.9592 12.8464 12.8464 12.8464 12.8464 17.7179 17.7179 17.7180 17.7180 k = 0.0548-0.0000 0.2887 ( 2306 PWs) bands (ev): -89.8535 -89.8535 -89.8535 -89.8535 -89.7906 -89.7906 -89.7906 -89.7906 -0.1497 -0.1497 -0.1497 -0.1497 6.9802 6.9802 6.9802 6.9802 12.8491 12.8491 12.8491 12.8491 17.7154 17.7154 17.7154 17.7154 k = 0.0616-0.0000 0.2887 ( 2306 PWs) bands (ev): -89.8534 -89.8534 -89.8534 -89.8534 -89.7906 -89.7906 -89.7906 -89.7906 -0.1313 -0.1313 -0.1313 -0.1313 7.0040 7.0040 7.0040 7.0040 12.8518 12.8518 12.8518 12.8518 17.7121 17.7121 17.7122 17.7122 k = 0.0685-0.0000 0.2887 ( 2308 PWs) bands (ev): -89.8532 -89.8532 -89.8532 -89.8532 -89.7905 -89.7905 -89.7905 -89.7905 -0.1108 -0.1108 -0.1108 -0.1108 7.0306 7.0306 7.0306 7.0306 12.8543 12.8543 12.8544 12.8544 17.7081 17.7081 17.7081 17.7081 k = 0.0753-0.0000 0.2887 ( 2316 PWs) bands (ev): -89.8531 -89.8531 -89.8531 -89.8531 -89.7905 -89.7905 -89.7905 -89.7905 -0.0881 -0.0881 -0.0880 -0.0880 7.0600 7.0600 7.0600 7.0600 12.8566 12.8566 12.8567 12.8567 17.7030 17.7030 17.7031 17.7031 k = 0.0822-0.0000 0.2887 ( 2316 PWs) bands (ev): -89.8529 -89.8529 -89.8529 -89.8529 -89.7904 -89.7904 -89.7904 -89.7904 -0.0632 -0.0632 -0.0632 -0.0632 7.0922 7.0922 7.0922 7.0922 12.8585 12.8585 12.8585 12.8585 17.6969 17.6969 17.6970 17.6970 k = 0.0890-0.0000 0.2887 ( 2314 PWs) bands (ev): -89.8527 -89.8527 -89.8527 -89.8527 -89.7903 -89.7903 -89.7903 -89.7903 -0.0361 -0.0361 -0.0361 -0.0361 7.1271 7.1271 7.1272 7.1272 12.8596 12.8596 12.8597 12.8597 17.6894 17.6894 17.6895 17.6895 k = 0.0959-0.0000 0.2887 ( 2310 PWs) bands (ev): -89.8525 -89.8525 -89.8525 -89.8525 -89.7902 -89.7902 -89.7902 -89.7902 -0.0070 -0.0070 -0.0070 -0.0070 7.1649 7.1649 7.1649 7.1649 12.8599 12.8599 12.8600 12.8600 17.6802 17.6802 17.6804 17.6804 k = 0.1027-0.0000 0.2887 ( 2310 PWs) bands (ev): -89.8523 -89.8523 -89.8523 -89.8523 -89.7902 -89.7902 -89.7902 -89.7902 0.0244 0.0244 0.0244 0.0244 7.2054 7.2054 7.2054 7.2054 12.8590 12.8590 12.8591 12.8591 17.6692 17.6692 17.6693 17.6693 k = 0.1096-0.0000 0.2887 ( 2310 PWs) bands (ev): -89.8521 -89.8521 -89.8521 -89.8521 -89.7901 -89.7901 -89.7901 -89.7901 0.0579 0.0579 0.0579 0.0579 7.2486 7.2486 7.2487 7.2487 12.8566 12.8566 12.8567 12.8567 17.6559 17.6559 17.6560 17.6560 k = 0.1164-0.0000 0.2887 ( 2314 PWs) bands (ev): -89.8518 -89.8518 -89.8518 -89.8518 -89.7900 -89.7900 -89.7900 -89.7900 0.0935 0.0935 0.0935 0.0935 7.2946 7.2946 7.2946 7.2946 12.8524 12.8524 12.8526 12.8526 17.6399 17.6399 17.6401 17.6401 k = 0.1233-0.0000 0.2887 ( 2314 PWs) bands (ev): -89.8516 -89.8516 -89.8516 -89.8516 -89.7899 -89.7899 -89.7899 -89.7899 0.1313 0.1313 0.1313 0.1313 7.3433 7.3433 7.3434 7.3434 12.8461 12.8461 12.8463 12.8463 17.6210 17.6210 17.6212 17.6212 k = 0.1301-0.0000 0.2887 ( 2314 PWs) bands (ev): -89.8513 -89.8513 -89.8513 -89.8513 -89.7898 -89.7898 -89.7898 -89.7898 0.1712 0.1712 0.1712 0.1712 7.3948 7.3948 7.3948 7.3948 12.8373 12.8373 12.8374 12.8374 17.5986 17.5986 17.5988 17.5988 k = 0.1370-0.0000 0.2887 ( 2314 PWs) bands (ev): -89.8510 -89.8510 -89.8510 -89.8510 -89.7897 -89.7897 -89.7897 -89.7897 0.2132 0.2132 0.2132 0.2132 7.4490 7.4490 7.4490 7.4490 12.8255 12.8255 12.8257 12.8257 17.5723 17.5723 17.5726 17.5726 k = 0.1438-0.0000 0.2887 ( 2312 PWs) bands (ev): -89.8507 -89.8507 -89.8507 -89.8507 -89.7896 -89.7896 -89.7896 -89.7896 0.2574 0.2574 0.2574 0.2574 7.5058 7.5058 7.5059 7.5059 12.8103 12.8103 12.8104 12.8104 17.5419 17.5419 17.5421 17.5421 k = 0.1507-0.0000 0.2887 ( 2312 PWs) bands (ev): -89.8504 -89.8504 -89.8504 -89.8504 -89.7894 -89.7894 -89.7894 -89.7894 0.3037 0.3037 0.3037 0.3037 7.5654 7.5654 7.5654 7.5654 12.7912 12.7912 12.7913 12.7913 17.5069 17.5069 17.5071 17.5071 k = 0.1575-0.0000 0.2887 ( 2308 PWs) bands (ev): -89.8501 -89.8501 -89.8501 -89.8501 -89.7893 -89.7893 -89.7893 -89.7893 0.3521 0.3521 0.3521 0.3521 7.6276 7.6276 7.6277 7.6277 12.7676 12.7676 12.7678 12.7678 17.4673 17.4673 17.4676 17.4676 k = 0.1644-0.0000 0.2887 ( 2308 PWs) bands (ev): -89.8498 -89.8498 -89.8498 -89.8498 -89.7892 -89.7892 -89.7892 -89.7892 0.4027 0.4027 0.4027 0.4027 7.6925 7.6925 7.6925 7.6925 12.7392 12.7392 12.7394 12.7394 17.4233 17.4233 17.4236 17.4236 k = 0.1712-0.0000 0.2887 ( 2304 PWs) bands (ev): -89.8495 -89.8495 -89.8495 -89.8495 -89.7891 -89.7891 -89.7891 -89.7891 0.4553 0.4553 0.4553 0.4553 7.7599 7.7599 7.7600 7.7600 12.7052 12.7052 12.7054 12.7054 17.3753 17.3753 17.3756 17.3756 k = 0.1781-0.0000 0.2887 ( 2312 PWs) bands (ev): -89.8492 -89.8492 -89.8492 -89.8492 -89.7890 -89.7890 -89.7890 -89.7890 0.5101 0.5101 0.5101 0.5101 7.8300 7.8300 7.8301 7.8301 12.6653 12.6653 12.6656 12.6656 17.3240 17.3240 17.3243 17.3243 k = 0.1849-0.0000 0.2887 ( 2316 PWs) bands (ev): -89.8488 -89.8488 -89.8488 -89.8488 -89.7888 -89.7888 -89.7888 -89.7888 0.5670 0.5670 0.5670 0.5670 7.9026 7.9026 7.9027 7.9027 12.6190 12.6190 12.6192 12.6192 17.2705 17.2705 17.2708 17.2708 k = 0.1918-0.0000 0.2887 ( 2320 PWs) bands (ev): -89.8485 -89.8485 -89.8485 -89.8485 -89.7887 -89.7887 -89.7887 -89.7887 0.6260 0.6260 0.6260 0.6260 7.9778 7.9778 7.9779 7.9779 12.5658 12.5658 12.5660 12.5660 17.2160 17.2160 17.2164 17.2164 k = 0.1986-0.0000 0.2887 ( 2318 PWs) bands (ev): -89.8481 -89.8481 -89.8481 -89.8481 -89.7886 -89.7886 -89.7886 -89.7886 0.6870 0.6870 0.6870 0.6870 8.0554 8.0554 8.0555 8.0555 12.5053 12.5053 12.5055 12.5055 17.1620 17.1620 17.1623 17.1623 k = 0.2055-0.0000 0.2887 ( 2318 PWs) bands (ev): -89.8478 -89.8478 -89.8478 -89.8478 -89.7884 -89.7884 -89.7884 -89.7884 0.7502 0.7502 0.7502 0.7502 8.1355 8.1355 8.1356 8.1356 12.4373 12.4373 12.4376 12.4376 17.1098 17.1098 17.1102 17.1102 k = 0.2123-0.0000 0.2887 ( 2314 PWs) bands (ev): -89.8474 -89.8474 -89.8474 -89.8474 -89.7883 -89.7883 -89.7883 -89.7883 0.8154 0.8154 0.8154 0.8154 8.2179 8.2179 8.2180 8.2180 12.3617 12.3617 12.3619 12.3619 17.0609 17.0609 17.0613 17.0613 k = 0.2192-0.0000 0.2887 ( 2316 PWs) bands (ev): -89.8471 -89.8471 -89.8471 -89.8471 -89.7882 -89.7882 -89.7882 -89.7882 0.8827 0.8827 0.8827 0.8827 8.3026 8.3026 8.3027 8.3027 12.2783 12.2783 12.2786 12.2786 17.0163 17.0163 17.0167 17.0167 k = 0.2260-0.0000 0.2887 ( 2308 PWs) bands (ev): -89.8467 -89.8467 -89.8467 -89.8467 -89.7880 -89.7880 -89.7880 -89.7880 0.9520 0.9520 0.9520 0.9520 8.3895 8.3895 8.3897 8.3897 12.1873 12.1873 12.1876 12.1876 16.9770 16.9770 16.9774 16.9774 k = 0.2329-0.0000 0.2887 ( 2312 PWs) bands (ev): -89.8463 -89.8463 -89.8463 -89.8463 -89.7879 -89.7879 -89.7879 -89.7879 1.0234 1.0234 1.0234 1.0234 8.4785 8.4785 8.4786 8.4786 12.0890 12.0890 12.0893 12.0893 16.9437 16.9437 16.9441 16.9441 k = 0.2397-0.0000 0.2887 ( 2312 PWs) bands (ev): -89.8460 -89.8460 -89.8460 -89.8460 -89.7877 -89.7877 -89.7877 -89.7877 1.0968 1.0968 1.0968 1.0968 8.5694 8.5694 8.5695 8.5695 11.9837 11.9837 11.9840 11.9840 16.9169 16.9169 16.9173 16.9173 k = 0.2466-0.0000 0.2887 ( 2312 PWs) bands (ev): -89.8456 -89.8456 -89.8456 -89.8456 -89.7876 -89.7876 -89.7876 -89.7876 1.1723 1.1723 1.1723 1.1723 8.6620 8.6620 8.6622 8.6622 11.8719 11.8719 11.8723 11.8723 16.8968 16.8968 16.8972 16.8972 k = 0.2534-0.0000 0.2887 ( 2316 PWs) bands (ev): -89.8452 -89.8452 -89.8452 -89.8452 -89.7875 -89.7875 -89.7875 -89.7875 1.2497 1.2497 1.2497 1.2497 8.7561 8.7561 8.7563 8.7563 11.7543 11.7543 11.7547 11.7547 16.8836 16.8836 16.8840 16.8840 k = 0.2603-0.0000 0.2887 ( 2312 PWs) bands (ev): -89.8448 -89.8448 -89.8448 -89.8448 -89.7873 -89.7873 -89.7873 -89.7873 1.3292 1.3292 1.3292 1.3292 8.8513 8.8513 8.8516 8.8516 11.6317 11.6317 11.6321 11.6321 16.8771 16.8771 16.8775 16.8775 k = 0.2671-0.0000 0.2887 ( 2314 PWs) bands (ev): -89.8445 -89.8445 -89.8445 -89.8445 -89.7872 -89.7872 -89.7872 -89.7872 1.4106 1.4106 1.4106 1.4106 8.9472 8.9472 8.9475 8.9475 11.5051 11.5051 11.5055 11.5055 16.8771 16.8771 16.8774 16.8774 k = 0.2740-0.0000 0.2887 ( 2318 PWs) bands (ev): -89.8441 -89.8441 -89.8441 -89.8441 -89.7871 -89.7871 -89.7871 -89.7871 1.4940 1.4940 1.4940 1.4940 9.0431 9.0431 9.0434 9.0434 11.3756 11.3756 11.3760 11.3760 16.8832 16.8832 16.8836 16.8836 k = 0.2808-0.0000 0.2887 ( 2326 PWs) bands (ev): -89.8437 -89.8437 -89.8437 -89.8437 -89.7869 -89.7869 -89.7869 -89.7869 1.5794 1.5794 1.5794 1.5794 9.1381 9.1381 9.1384 9.1384 11.2448 11.2448 11.2452 11.2452 16.8951 16.8951 16.8955 16.8955 k = 0.2877-0.0000 0.2887 ( 2322 PWs) bands (ev): -89.8433 -89.8433 -89.8433 -89.8433 -89.7868 -89.7868 -89.7868 -89.7868 1.6667 1.6667 1.6667 1.6667 9.2307 9.2307 9.2311 9.2311 11.1145 11.1145 11.1151 11.1151 16.9123 16.9123 16.9127 16.9127 k = 0.2945-0.0000 0.2887 ( 2322 PWs) bands (ev): -89.8430 -89.8430 -89.8430 -89.8430 -89.7867 -89.7867 -89.7867 -89.7867 1.7558 1.7558 1.7558 1.7558 9.3187 9.3187 9.3191 9.3191 10.9876 10.9876 10.9882 10.9882 16.9342 16.9342 16.9346 16.9346 k = 0.3014-0.0000 0.2887 ( 2322 PWs) bands (ev): -89.8426 -89.8426 -89.8426 -89.8426 -89.7866 -89.7866 -89.7866 -89.7866 1.8469 1.8469 1.8469 1.8469 9.3987 9.3987 9.3992 9.3992 10.8678 10.8678 10.8685 10.8685 16.9603 16.9603 16.9607 16.9607 k = 0.3082-0.0000 0.2887 ( 2322 PWs) bands (ev): -89.8423 -89.8423 -89.8423 -89.8423 -89.7864 -89.7864 -89.7864 -89.7864 1.9398 1.9398 1.9398 1.9398 9.4655 9.4655 9.4661 9.4661 10.7610 10.7610 10.7617 10.7617 16.9900 16.9900 16.9904 16.9904 k = 0.3151-0.0000 0.2887 ( 2320 PWs) bands (ev): -89.8419 -89.8419 -89.8419 -89.8419 -89.7863 -89.7863 -89.7863 -89.7863 2.0345 2.0345 2.0345 2.0345 9.5114 9.5114 9.5121 9.5121 10.6750 10.6750 10.6759 10.6759 17.0227 17.0227 17.0232 17.0232 k = 0.3219-0.0000 0.2887 ( 2320 PWs) bands (ev): -89.8416 -89.8416 -89.8416 -89.8416 -89.7862 -89.7862 -89.7862 -89.7862 2.1310 2.1310 2.1311 2.1311 9.5272 9.5272 9.5280 9.5280 10.6198 10.6198 10.6207 10.6207 17.0578 17.0578 17.0582 17.0582 k = 0.3288-0.0000 0.2887 ( 2320 PWs) bands (ev): -89.8412 -89.8412 -89.8412 -89.8412 -89.7861 -89.7861 -89.7861 -89.7861 2.2293 2.2293 2.2293 2.2293 9.5056 9.5056 9.5063 9.5063 10.6028 10.6028 10.6037 10.6037 17.0946 17.0946 17.0950 17.0950 k = 0.3356-0.0000 0.2887 ( 2316 PWs) bands (ev): -89.8409 -89.8409 -89.8409 -89.8409 -89.7860 -89.7860 -89.7860 -89.7860 2.3292 2.3292 2.3292 2.3292 9.4458 9.4458 9.4465 9.4465 10.6252 10.6252 10.6260 10.6260 17.1323 17.1323 17.1328 17.1328 k = 0.3425-0.0000 0.2887 ( 2320 PWs) bands (ev): -89.8406 -89.8406 -89.8406 -89.8406 -89.7858 -89.7858 -89.7858 -89.7858 2.4308 2.4308 2.4308 2.4308 9.3543 9.3543 9.3549 9.3549 10.6807 10.6807 10.6815 10.6815 17.1703 17.1703 17.1708 17.1708 k = 0.3493-0.0000 0.2887 ( 2328 PWs) bands (ev): -89.8403 -89.8403 -89.8403 -89.8403 -89.7857 -89.7857 -89.7857 -89.7857 2.5340 2.5340 2.5340 2.5340 9.2398 9.2398 9.2404 9.2404 10.7608 10.7608 10.7615 10.7615 17.2078 17.2078 17.2083 17.2083 k = 0.3562-0.0000 0.2887 ( 2328 PWs) bands (ev): -89.8400 -89.8400 -89.8400 -89.8400 -89.7856 -89.7856 -89.7856 -89.7856 2.6386 2.6386 2.6386 2.6386 9.1101 9.1101 9.1106 9.1106 10.8581 10.8581 10.8587 10.8587 17.2439 17.2439 17.2444 17.2444 k = 0.3630-0.0000 0.2887 ( 2320 PWs) bands (ev): -89.8397 -89.8397 -89.8397 -89.8397 -89.7855 -89.7855 -89.7855 -89.7855 2.7447 2.7447 2.7447 2.7447 8.9704 8.9704 8.9708 8.9708 10.9672 10.9672 10.9678 10.9678 17.2776 17.2776 17.2782 17.2782 k = 0.3699-0.0000 0.2887 ( 2324 PWs) bands (ev): -89.8394 -89.8394 -89.8394 -89.8394 -89.7854 -89.7854 -89.7854 -89.7854 2.8521 2.8521 2.8522 2.8522 8.8245 8.8245 8.8248 8.8248 11.0849 11.0849 11.0854 11.0854 17.3079 17.3079 17.3085 17.3085 k = 0.3767-0.0000 0.2887 ( 2320 PWs) bands (ev): -89.8391 -89.8391 -89.8391 -89.8391 -89.7854 -89.7854 -89.7854 -89.7854 2.9608 2.9608 2.9608 2.9608 8.6746 8.6746 8.6749 8.6749 11.2087 11.2087 11.2091 11.2091 17.3334 17.3334 17.3341 17.3341 k = 0.3836-0.0000 0.2887 ( 2312 PWs) bands (ev): -89.8388 -89.8388 -89.8388 -89.8388 -89.7853 -89.7853 -89.7853 -89.7853 3.0705 3.0705 3.0705 3.0705 8.5226 8.5226 8.5228 8.5228 11.3370 11.3370 11.3374 11.3374 17.3526 17.3526 17.3532 17.3532 k = 0.3904-0.0000 0.2887 ( 2312 PWs) bands (ev): -89.8386 -89.8386 -89.8386 -89.8386 -89.7852 -89.7852 -89.7852 -89.7852 3.1811 3.1811 3.1811 3.1811 8.3696 8.3696 8.3698 8.3698 11.4687 11.4687 11.4691 11.4691 17.3632 17.3632 17.3639 17.3639 k = 0.3973-0.0000 0.2887 ( 2316 PWs) bands (ev): -89.8383 -89.8383 -89.8383 -89.8383 -89.7851 -89.7851 -89.7851 -89.7851 3.2925 3.2925 3.2925 3.2925 8.2166 8.2166 8.2168 8.2168 11.6028 11.6028 11.6032 11.6032 17.3625 17.3625 17.3632 17.3632 k = 0.4041-0.0000 0.2887 ( 2316 PWs) bands (ev): -89.8381 -89.8381 -89.8381 -89.8381 -89.7850 -89.7850 -89.7850 -89.7850 3.4043 3.4043 3.4043 3.4043 8.0644 8.0644 8.0646 8.0646 11.7386 11.7386 11.7389 11.7389 17.3471 17.3471 17.3478 17.3478 k = 0.4110-0.0000 0.2887 ( 2320 PWs) bands (ev): -89.8379 -89.8379 -89.8379 -89.8379 -89.7850 -89.7850 -89.7850 -89.7850 3.5163 3.5163 3.5163 3.5163 7.9137 7.9137 7.9139 7.9139 11.8751 11.8751 11.8754 11.8754 17.3131 17.3131 17.3138 17.3138 k = 0.4178-0.0000 0.2887 ( 2320 PWs) bands (ev): -89.8377 -89.8377 -89.8377 -89.8377 -89.7849 -89.7849 -89.7849 -89.7849 3.6281 3.6281 3.6281 3.6281 7.7652 7.7652 7.7654 7.7654 12.0117 12.0117 12.0120 12.0120 17.2572 17.2572 17.2580 17.2580 k = 0.4247-0.0000 0.2887 ( 2316 PWs) bands (ev): -89.8375 -89.8375 -89.8375 -89.8375 -89.7848 -89.7848 -89.7848 -89.7848 3.7392 3.7392 3.7393 3.7393 7.6197 7.6197 7.6198 7.6198 12.1475 12.1475 12.1478 12.1478 17.1787 17.1787 17.1794 17.1794 k = 0.4315-0.0000 0.2887 ( 2316 PWs) bands (ev): -89.8374 -89.8374 -89.8374 -89.8374 -89.7848 -89.7848 -89.7848 -89.7848 3.8492 3.8492 3.8492 3.8492 7.4778 7.4778 7.4780 7.4780 12.2815 12.2815 12.2817 12.2817 17.0801 17.0801 17.0808 17.0808 k = 0.4384-0.0000 0.2887 ( 2320 PWs) bands (ev): -89.8372 -89.8372 -89.8372 -89.8372 -89.7847 -89.7847 -89.7847 -89.7847 3.9571 3.9571 3.9572 3.9572 7.3406 7.3406 7.3407 7.3407 12.4125 12.4125 12.4128 12.4128 16.9669 16.9669 16.9675 16.9675 k = 0.4452-0.0000 0.2887 ( 2320 PWs) bands (ev): -89.8371 -89.8371 -89.8371 -89.8371 -89.7847 -89.7847 -89.7847 -89.7847 4.0622 4.0622 4.0622 4.0622 7.2091 7.2091 7.2092 7.2092 12.5393 12.5393 12.5395 12.5395 16.8457 16.8457 16.8463 16.8463 k = 0.4521-0.0000 0.2887 ( 2328 PWs) bands (ev): -89.8369 -89.8369 -89.8369 -89.8369 -89.7846 -89.7846 -89.7846 -89.7846 4.1632 4.1632 4.1632 4.1632 7.0845 7.0845 7.0846 7.0846 12.6601 12.6601 12.6603 12.6603 16.7226 16.7226 16.7231 16.7231 k = 0.4589-0.0000 0.2887 ( 2332 PWs) bands (ev): -89.8368 -89.8368 -89.8368 -89.8368 -89.7846 -89.7846 -89.7846 -89.7846 4.2585 4.2585 4.2586 4.2586 6.9686 6.9686 6.9687 6.9687 12.7731 12.7731 12.7733 12.7733 16.6030 16.6030 16.6034 16.6034 k = 0.4658-0.0000 0.2887 ( 2332 PWs) bands (ev): -89.8367 -89.8367 -89.8367 -89.8367 -89.7846 -89.7846 -89.7846 -89.7846 4.3463 4.3463 4.3464 4.3464 6.8633 6.8633 6.8634 6.8634 12.8759 12.8759 12.8761 12.8761 16.4918 16.4918 16.4921 16.4921 k = 0.4726-0.0000 0.2887 ( 2332 PWs) bands (ev): -89.8367 -89.8367 -89.8367 -89.8367 -89.7846 -89.7846 -89.7846 -89.7846 4.4242 4.4242 4.4242 4.4242 6.7710 6.7710 6.7711 6.7711 12.9659 12.9659 12.9660 12.9660 16.3931 16.3931 16.3934 16.3934 k = 0.4795-0.0000 0.2887 ( 2324 PWs) bands (ev): -89.8366 -89.8366 -89.8366 -89.8366 -89.7845 -89.7845 -89.7845 -89.7845 4.4894 4.4894 4.4894 4.4894 6.6945 6.6945 6.6946 6.6946 13.0402 13.0402 13.0403 13.0403 16.3112 16.3112 16.3114 16.3114 k = 0.4863-0.0000 0.2887 ( 2320 PWs) bands (ev): -89.8366 -89.8366 -89.8366 -89.8366 -89.7845 -89.7845 -89.7845 -89.7845 4.5389 4.5389 4.5390 4.5390 6.6369 6.6369 6.6370 6.6370 13.0959 13.0959 13.0960 13.0960 16.2495 16.2495 16.2497 16.2497 k = 0.4932-0.0000 0.2887 ( 2324 PWs) bands (ev): -89.8365 -89.8365 -89.8365 -89.8365 -89.7845 -89.7845 -89.7845 -89.7845 4.5700 4.5700 4.5701 4.5701 6.6009 6.6009 6.6010 6.6010 13.1305 13.1305 13.1307 13.1307 16.2111 16.2111 16.2113 16.2113 k = 0.5000-0.0000 0.2887 ( 2328 PWs) bands (ev): -89.8365 -89.8365 -89.8365 -89.8365 -89.7845 -89.7845 -89.7845 -89.7845 4.5807 4.5807 4.5807 4.5807 6.5887 6.5887 6.5888 6.5888 13.1423 13.1423 13.1424 13.1424 16.1981 16.1981 16.1982 16.1982 k = 0.5000-0.0000 0.2887 ( 2328 PWs) bands (ev): -89.8365 -89.8365 -89.8365 -89.8365 -89.7845 -89.7845 -89.7845 -89.7845 4.5807 4.5807 4.5807 4.5807 6.5887 6.5887 6.5888 6.5888 13.1423 13.1423 13.1424 13.1424 16.1981 16.1981 16.1982 16.1982 k = 0.5000 0.0069 0.2887 ( 2320 PWs) bands (ev): -89.8365 -89.8365 -89.8365 -89.8365 -89.7845 -89.7845 -89.7845 -89.7845 4.5815 4.5815 4.5815 4.5815 6.5887 6.5887 6.5888 6.5888 13.1395 13.1395 13.1396 13.1396 16.1805 16.1805 16.1806 16.1806 k = 0.5000 0.0138 0.2887 ( 2320 PWs) bands (ev): -89.8365 -89.8365 -89.8365 -89.8365 -89.7845 -89.7845 -89.7845 -89.7845 4.5839 4.5839 4.5839 4.5839 6.5888 6.5888 6.5889 6.5889 13.1311 13.1311 13.1312 13.1312 16.1298 16.1298 16.1299 16.1299 k = 0.5000 0.0207 0.2887 ( 2320 PWs) bands (ev): -89.8365 -89.8365 -89.8365 -89.8365 -89.7845 -89.7845 -89.7845 -89.7845 4.5879 4.5879 4.5880 4.5880 6.5890 6.5890 6.5891 6.5891 13.1173 13.1173 13.1174 13.1174 16.0509 16.0509 16.0511 16.0511 k = 0.5000 0.0276 0.2887 ( 2320 PWs) bands (ev): -89.8365 -89.8365 -89.8365 -89.8365 -89.7846 -89.7846 -89.7846 -89.7846 4.5936 4.5936 4.5936 4.5936 6.5892 6.5892 6.5893 6.5893 13.0981 13.0981 13.0983 13.0983 15.9501 15.9501 15.9503 15.9503 k = 0.5000 0.0345 0.2887 ( 2320 PWs) bands (ev): -89.8365 -89.8365 -89.8365 -89.8365 -89.7846 -89.7846 -89.7846 -89.7846 4.6008 4.6008 4.6009 4.6009 6.5895 6.5895 6.5896 6.5896 13.0739 13.0739 13.0740 13.0740 15.8330 15.8330 15.8332 15.8332 k = 0.5000 0.0414 0.2887 ( 2312 PWs) bands (ev): -89.8364 -89.8364 -89.8364 -89.8364 -89.7846 -89.7846 -89.7846 -89.7846 4.6096 4.6097 4.6097 4.6097 6.5898 6.5898 6.5899 6.5899 13.0448 13.0448 13.0449 13.0449 15.7043 15.7043 15.7044 15.7044 k = 0.5000 0.0483 0.2887 ( 2320 PWs) bands (ev): -89.8364 -89.8364 -89.8364 -89.8364 -89.7847 -89.7847 -89.7847 -89.7847 4.6200 4.6200 4.6201 4.6201 6.5901 6.5901 6.5902 6.5902 13.0112 13.0112 13.0113 13.0113 15.5674 15.5674 15.5676 15.5676 k = 0.5000 0.0552 0.2887 ( 2336 PWs) bands (ev): -89.8363 -89.8363 -89.8363 -89.8363 -89.7847 -89.7847 -89.7847 -89.7847 4.6320 4.6320 4.6320 4.6320 6.5904 6.5904 6.5905 6.5905 12.9734 12.9734 12.9735 12.9735 15.4250 15.4250 15.4252 15.4252 k = 0.5000 0.0621 0.2887 ( 2336 PWs) bands (ev): -89.8363 -89.8363 -89.8363 -89.8363 -89.7848 -89.7848 -89.7848 -89.7848 4.6455 4.6455 4.6455 4.6455 6.5908 6.5908 6.5909 6.5909 12.9318 12.9318 12.9319 12.9319 15.2790 15.2790 15.2791 15.2791 k = 0.5000 0.0690 0.2887 ( 2336 PWs) bands (ev): -89.8362 -89.8362 -89.8362 -89.8362 -89.7848 -89.7848 -89.7848 -89.7848 4.6605 4.6605 4.6605 4.6605 6.5911 6.5911 6.5912 6.5912 12.8867 12.8867 12.8869 12.8869 15.1307 15.1307 15.1309 15.1309 k = 0.5000 0.0759 0.2887 ( 2332 PWs) bands (ev): -89.8362 -89.8362 -89.8362 -89.8362 -89.7849 -89.7849 -89.7849 -89.7849 4.6769 4.6769 4.6770 4.6770 6.5913 6.5913 6.5914 6.5914 12.8386 12.8386 12.8388 12.8388 14.9814 14.9814 14.9815 14.9815 k = 0.5000 0.0828 0.2887 ( 2332 PWs) bands (ev): -89.8361 -89.8361 -89.8361 -89.8361 -89.7850 -89.7850 -89.7850 -89.7850 4.6949 4.6949 4.6949 4.6949 6.5916 6.5916 6.5916 6.5916 12.7878 12.7878 12.7880 12.7880 14.8318 14.8318 14.8319 14.8319 k = 0.5000 0.0897 0.2887 ( 2332 PWs) bands (ev): -89.8360 -89.8360 -89.8360 -89.8360 -89.7850 -89.7850 -89.7850 -89.7850 4.7142 4.7142 4.7142 4.7142 6.5917 6.5917 6.5918 6.5918 12.7348 12.7348 12.7349 12.7349 14.6825 14.6825 14.6827 14.6827 k = 0.5000 0.0966 0.2887 ( 2332 PWs) bands (ev): -89.8360 -89.8360 -89.8360 -89.8360 -89.7851 -89.7851 -89.7851 -89.7851 4.7349 4.7349 4.7350 4.7350 6.5917 6.5917 6.5918 6.5918 12.6799 12.6799 12.6800 12.6800 14.5342 14.5342 14.5344 14.5344 k = 0.5000 0.1035 0.2887 ( 2336 PWs) bands (ev): -89.8359 -89.8359 -89.8359 -89.8359 -89.7852 -89.7852 -89.7852 -89.7852 4.7570 4.7570 4.7570 4.7570 6.5916 6.5916 6.5916 6.5916 12.6234 12.6234 12.6235 12.6235 14.3873 14.3873 14.3874 14.3874 k = 0.5000 0.1104 0.2887 ( 2340 PWs) bands (ev): -89.8358 -89.8358 -89.8358 -89.8358 -89.7853 -89.7853 -89.7853 -89.7853 4.7803 4.7803 4.7804 4.7804 6.5913 6.5913 6.5913 6.5913 12.5658 12.5658 12.5659 12.5659 14.2420 14.2420 14.2422 14.2422 k = 0.5000 0.1173 0.2887 ( 2340 PWs) bands (ev): -89.8357 -89.8357 -89.8357 -89.8357 -89.7854 -89.7854 -89.7854 -89.7854 4.8049 4.8049 4.8049 4.8049 6.5907 6.5907 6.5908 6.5908 12.5073 12.5073 12.5074 12.5074 14.0989 14.0989 14.0990 14.0990 k = 0.5000 0.1242 0.2887 ( 2316 PWs) bands (ev): -89.8356 -89.8356 -89.8356 -89.8356 -89.7854 -89.7854 -89.7854 -89.7854 4.8307 4.8307 4.8307 4.8307 6.5900 6.5900 6.5901 6.5901 12.4484 12.4484 12.4485 12.4485 13.9580 13.9580 13.9581 13.9581 k = 0.5000 0.1311 0.2887 ( 2312 PWs) bands (ev): -89.8355 -89.8355 -89.8355 -89.8355 -89.7855 -89.7855 -89.7855 -89.7855 4.8576 4.8576 4.8576 4.8576 6.5890 6.5890 6.5891 6.5891 12.3893 12.3893 12.3894 12.3894 13.8197 13.8197 13.8198 13.8198 k = 0.5000 0.1380 0.2887 ( 2312 PWs) bands (ev): -89.8354 -89.8354 -89.8354 -89.8354 -89.7856 -89.7856 -89.7856 -89.7856 4.8856 4.8856 4.8856 4.8856 6.5877 6.5877 6.5877 6.5877 12.3304 12.3304 12.3305 12.3305 13.6842 13.6842 13.6843 13.6843 k = 0.5000 0.1449 0.2887 ( 2320 PWs) bands (ev): -89.8353 -89.8353 -89.8353 -89.8353 -89.7857 -89.7857 -89.7857 -89.7857 4.9145 4.9145 4.9146 4.9146 6.5860 6.5860 6.5861 6.5861 12.2718 12.2718 12.2719 12.2719 13.5516 13.5516 13.5518 13.5518 k = 0.5000 0.1518 0.2887 ( 2320 PWs) bands (ev): -89.8352 -89.8352 -89.8352 -89.8352 -89.7858 -89.7858 -89.7858 -89.7858 4.9444 4.9444 4.9445 4.9445 6.5840 6.5840 6.5840 6.5840 12.2140 12.2140 12.2141 12.2141 13.4222 13.4222 13.4224 13.4224 k = 0.5000 0.1587 0.2887 ( 2320 PWs) bands (ev): -89.8351 -89.8351 -89.8351 -89.8351 -89.7859 -89.7859 -89.7859 -89.7859 4.9751 4.9751 4.9752 4.9752 6.5815 6.5815 6.5816 6.5816 12.1570 12.1570 12.1571 12.1571 13.2962 13.2962 13.2963 13.2963 k = 0.5000 0.1656 0.2887 ( 2312 PWs) bands (ev): -89.8350 -89.8350 -89.8350 -89.8350 -89.7860 -89.7860 -89.7860 -89.7860 5.0066 5.0066 5.0066 5.0066 6.5786 6.5786 6.5787 6.5787 12.1013 12.1013 12.1014 12.1014 13.1737 13.1737 13.1738 13.1738 k = 0.5000 0.1725 0.2887 ( 2320 PWs) bands (ev): -89.8349 -89.8349 -89.8349 -89.8349 -89.7861 -89.7861 -89.7861 -89.7861 5.0387 5.0387 5.0387 5.0387 6.5752 6.5752 6.5753 6.5753 12.0470 12.0470 12.0471 12.0471 13.0548 13.0548 13.0549 13.0549 k = 0.5000 0.1794 0.2887 ( 2320 PWs) bands (ev): -89.8348 -89.8348 -89.8348 -89.8348 -89.7862 -89.7862 -89.7862 -89.7862 5.0713 5.0713 5.0713 5.0713 6.5714 6.5714 6.5715 6.5715 11.9943 11.9943 11.9944 11.9944 12.9397 12.9397 12.9398 12.9398 k = 0.5000 0.1863 0.2887 ( 2312 PWs) bands (ev): -89.8347 -89.8347 -89.8347 -89.8347 -89.7863 -89.7863 -89.7863 -89.7863 5.1043 5.1043 5.1044 5.1044 6.5670 6.5670 6.5671 6.5671 11.9435 11.9435 11.9436 11.9436 12.8285 12.8285 12.8287 12.8287 k = 0.5000 0.1932 0.2887 ( 2312 PWs) bands (ev): -89.8346 -89.8346 -89.8346 -89.8346 -89.7864 -89.7864 -89.7864 -89.7864 5.1377 5.1377 5.1377 5.1377 6.5621 6.5621 6.5621 6.5621 11.8948 11.8948 11.8949 11.8949 12.7215 12.7215 12.7216 12.7216 k = 0.5000 0.2001 0.2887 ( 2312 PWs) bands (ev): -89.8345 -89.8345 -89.8345 -89.8345 -89.7865 -89.7865 -89.7865 -89.7865 5.1711 5.1711 5.1712 5.1712 6.5566 6.5566 6.5566 6.5566 11.8483 11.8483 11.8484 11.8484 12.6185 12.6185 12.6187 12.6187 k = 0.5000 0.2070 0.2887 ( 2312 PWs) bands (ev): -89.8344 -89.8344 -89.8344 -89.8344 -89.7866 -89.7866 -89.7866 -89.7866 5.2046 5.2046 5.2047 5.2047 6.5506 6.5506 6.5506 6.5506 11.8042 11.8042 11.8043 11.8043 12.5200 12.5200 12.5201 12.5201 k = 0.5000 0.2139 0.2887 ( 2312 PWs) bands (ev): -89.8343 -89.8343 -89.8343 -89.8343 -89.7867 -89.7867 -89.7867 -89.7867 5.2379 5.2379 5.2380 5.2380 6.5440 6.5440 6.5441 6.5441 11.7628 11.7628 11.7629 11.7629 12.4258 12.4258 12.4259 12.4259 k = 0.5000 0.2208 0.2887 ( 2312 PWs) bands (ev): -89.8342 -89.8342 -89.8342 -89.8342 -89.7868 -89.7868 -89.7868 -89.7868 5.2709 5.2709 5.2709 5.2709 6.5370 6.5370 6.5370 6.5370 11.7242 11.7242 11.7243 11.7243 12.3361 12.3361 12.3363 12.3363 k = 0.5000 0.2276 0.2887 ( 2312 PWs) bands (ev): -89.8342 -89.8342 -89.8342 -89.8342 -89.7869 -89.7869 -89.7869 -89.7869 5.3033 5.3033 5.3034 5.3034 6.5295 6.5295 6.5295 6.5295 11.6886 11.6886 11.6886 11.6886 12.2511 12.2511 12.2513 12.2513 k = 0.5000 0.2345 0.2887 ( 2312 PWs) bands (ev): -89.8341 -89.8341 -89.8341 -89.8341 -89.7869 -89.7869 -89.7869 -89.7869 5.3350 5.3350 5.3350 5.3350 6.5216 6.5216 6.5216 6.5216 11.6560 11.6560 11.6561 11.6561 12.1708 12.1708 12.1710 12.1710 k = 0.5000 0.2414 0.2887 ( 2312 PWs) bands (ev): -89.8340 -89.8340 -89.8340 -89.8340 -89.7870 -89.7870 -89.7870 -89.7870 5.3657 5.3657 5.3657 5.3657 6.5134 6.5134 6.5134 6.5134 11.6268 11.6268 11.6268 11.6268 12.0954 12.0954 12.0955 12.0955 k = 0.5000 0.2483 0.2887 ( 2312 PWs) bands (ev): -89.8339 -89.8339 -89.8339 -89.8339 -89.7871 -89.7871 -89.7871 -89.7871 5.3952 5.3952 5.3952 5.3952 6.5049 6.5049 6.5050 6.5050 11.6009 11.6009 11.6009 11.6009 12.0248 12.0248 12.0249 12.0249 k = 0.5000 0.2552 0.2887 ( 2312 PWs) bands (ev): -89.8339 -89.8339 -89.8339 -89.8339 -89.7872 -89.7872 -89.7872 -89.7872 5.4232 5.4232 5.4232 5.4232 6.4965 6.4965 6.4965 6.4965 11.5786 11.5786 11.5786 11.5786 11.9592 11.9592 11.9593 11.9593 k = 0.5000 0.2621 0.2887 ( 2304 PWs) bands (ev): -89.8338 -89.8338 -89.8338 -89.8338 -89.7872 -89.7872 -89.7872 -89.7872 5.4494 5.4494 5.4494 5.4494 6.4881 6.4881 6.4881 6.4881 11.5599 11.5599 11.5600 11.5600 11.8987 11.8987 11.8988 11.8988 k = 0.5000 0.2690 0.2887 ( 2304 PWs) bands (ev): -89.8338 -89.8338 -89.8338 -89.8338 -89.7873 -89.7873 -89.7873 -89.7873 5.4735 5.4735 5.4736 5.4736 6.4800 6.4800 6.4800 6.4800 11.5449 11.5449 11.5450 11.5450 11.8433 11.8433 11.8435 11.8435 k = 0.5000 0.2759 0.2887 ( 2304 PWs) bands (ev): -89.8337 -89.8337 -89.8337 -89.8337 -89.7873 -89.7873 -89.7873 -89.7873 5.4953 5.4953 5.4953 5.4953 6.4723 6.4723 6.4723 6.4723 11.5337 11.5337 11.5338 11.5338 11.7933 11.7933 11.7934 11.7934 k = 0.5000 0.2828 0.2887 ( 2304 PWs) bands (ev): -89.8337 -89.8337 -89.8337 -89.8337 -89.7873 -89.7873 -89.7873 -89.7873 5.5144 5.5144 5.5144 5.5144 6.4653 6.4653 6.4653 6.4653 11.5262 11.5262 11.5263 11.5263 11.7487 11.7487 11.7488 11.7488 k = 0.5000 0.2897 0.2887 ( 2304 PWs) bands (ev): -89.8336 -89.8336 -89.8336 -89.8336 -89.7874 -89.7874 -89.7874 -89.7874 5.5305 5.5305 5.5306 5.5306 6.4592 6.4592 6.4592 6.4592 11.5223 11.5223 11.5224 11.5224 11.7099 11.7099 11.7100 11.7100 k = 0.5000 0.2966 0.2887 ( 2304 PWs) bands (ev): -89.8336 -89.8336 -89.8336 -89.8336 -89.7874 -89.7874 -89.7874 -89.7874 5.5434 5.5434 5.5434 5.5434 6.4542 6.4542 6.4542 6.4542 11.5216 11.5216 11.5216 11.5216 11.6772 11.6772 11.6773 11.6773 k = 0.5000 0.3035 0.2887 ( 2304 PWs) bands (ev): -89.8336 -89.8336 -89.8336 -89.8336 -89.7874 -89.7874 -89.7874 -89.7874 5.5528 5.5528 5.5528 5.5528 6.4505 6.4505 6.4505 6.4505 11.5232 11.5232 11.5232 11.5232 11.6517 11.6517 11.6518 11.6518 k = 0.5000 0.3104 0.2887 ( 2288 PWs) bands (ev): -89.8336 -89.8336 -89.8336 -89.8336 -89.7874 -89.7874 -89.7874 -89.7874 5.5585 5.5585 5.5585 5.5585 6.4482 6.4482 6.4482 6.4482 11.5257 11.5257 11.5257 11.5257 11.6349 11.6349 11.6350 11.6350 k = 0.5000 0.3173 0.2887 ( 2296 PWs) bands (ev): -89.8336 -89.8336 -89.8336 -89.8336 -89.7874 -89.7874 -89.7874 -89.7874 5.5604 5.5604 5.5604 5.5604 6.4474 6.4474 6.4474 6.4474 11.5269 11.5269 11.5269 11.5269 11.6290 11.6290 11.6290 11.6290 k = 0.5000 0.3173 0.2887 ( 2296 PWs) bands (ev): -89.8336 -89.8336 -89.8336 -89.8336 -89.7874 -89.7874 -89.7874 -89.7874 5.5604 5.5604 5.5604 5.5604 6.4474 6.4474 6.4474 6.4474 11.5269 11.5269 11.5269 11.5269 11.6290 11.6290 11.6290 11.6290 k = 0.4932 0.3173 0.2887 ( 2288 PWs) bands (ev): -89.8336 -89.8336 -89.8336 -89.8336 -89.7874 -89.7874 -89.7874 -89.7874 5.5572 5.5572 5.5572 5.5572 6.4423 6.4423 6.4423 6.4423 11.5342 11.5342 11.5342 11.5342 11.6342 11.6342 11.6342 11.6342 k = 0.4863 0.3173 0.2887 ( 2300 PWs) bands (ev): -89.8336 -89.8336 -89.8336 -89.8336 -89.7874 -89.7874 -89.7874 -89.7874 5.5474 5.5474 5.5474 5.5474 6.4270 6.4270 6.4270 6.4270 11.5560 11.5560 11.5560 11.5560 11.6499 11.6499 11.6499 11.6499 k = 0.4795 0.3173 0.2887 ( 2304 PWs) bands (ev): -89.8336 -89.8336 -89.8336 -89.8336 -89.7875 -89.7875 -89.7875 -89.7875 5.5312 5.5312 5.5312 5.5312 6.4018 6.4018 6.4018 6.4018 11.5920 11.5920 11.5920 11.5920 11.6759 11.6759 11.6759 11.6759 k = 0.4726 0.3173 0.2887 ( 2304 PWs) bands (ev): -89.8337 -89.8337 -89.8337 -89.8337 -89.7875 -89.7875 -89.7875 -89.7875 5.5087 5.5087 5.5087 5.5087 6.3670 6.3670 6.3670 6.3670 11.6418 11.6418 11.6418 11.6418 11.7120 11.7120 11.7121 11.7121 k = 0.4658 0.3173 0.2887 ( 2304 PWs) bands (ev): -89.8337 -89.8337 -89.8337 -89.8337 -89.7876 -89.7876 -89.7876 -89.7876 5.4803 5.4803 5.4803 5.4803 6.3234 6.3234 6.3234 6.3234 11.7048 11.7048 11.7048 11.7048 11.7581 11.7581 11.7581 11.7581 k = 0.4589 0.3173 0.2887 ( 2308 PWs) bands (ev): -89.8338 -89.8338 -89.8338 -89.8338 -89.7876 -89.7876 -89.7876 -89.7876 5.4462 5.4462 5.4462 5.4462 6.2715 6.2715 6.2715 6.2715 11.7804 11.7804 11.7804 11.7804 11.8138 11.8138 11.8138 11.8138 k = 0.4521 0.3173 0.2887 ( 2308 PWs) bands (ev): -89.8339 -89.8339 -89.8339 -89.8339 -89.7877 -89.7877 -89.7877 -89.7877 5.4067 5.4067 5.4067 5.4067 6.2121 6.2121 6.2121 6.2121 11.8678 11.8678 11.8678 11.8678 11.8788 11.8788 11.8788 11.8788 k = 0.4452 0.3173 0.2887 ( 2308 PWs) bands (ev): -89.8340 -89.8340 -89.8340 -89.8340 -89.7878 -89.7878 -89.7878 -89.7878 5.3621 5.3621 5.3621 5.3621 6.1458 6.1458 6.1458 6.1458 11.9527 11.9527 11.9527 11.9527 11.9663 11.9663 11.9663 11.9663 k = 0.4384 0.3173 0.2887 ( 2308 PWs) bands (ev): -89.8341 -89.8341 -89.8341 -89.8341 -89.7879 -89.7879 -89.7879 -89.7879 5.3130 5.3130 5.3130 5.3130 6.0736 6.0736 6.0736 6.0736 12.0351 12.0351 12.0351 12.0351 12.0751 12.0751 12.0751 12.0751 k = 0.4315 0.3173 0.2887 ( 2308 PWs) bands (ev): -89.8342 -89.8342 -89.8342 -89.8342 -89.7880 -89.7880 -89.7880 -89.7880 5.2596 5.2596 5.2596 5.2596 5.9960 5.9960 5.9960 5.9960 12.1255 12.1255 12.1256 12.1256 12.1935 12.1935 12.1935 12.1935 k = 0.4247 0.3173 0.2887 ( 2312 PWs) bands (ev): -89.8343 -89.8343 -89.8343 -89.8343 -89.7881 -89.7881 -89.7881 -89.7881 5.2023 5.2023 5.2023 5.2023 5.9138 5.9138 5.9138 5.9138 12.2237 12.2237 12.2237 12.2237 12.3208 12.3208 12.3208 12.3208 k = 0.4178 0.3173 0.2887 ( 2324 PWs) bands (ev): -89.8344 -89.8344 -89.8344 -89.8344 -89.7882 -89.7882 -89.7882 -89.7882 5.1416 5.1416 5.1416 5.1416 5.8277 5.8277 5.8277 5.8277 12.3291 12.3291 12.3291 12.3291 12.4562 12.4562 12.4562 12.4562 k = 0.4110 0.3173 0.2887 ( 2320 PWs) bands (ev): -89.8345 -89.8345 -89.8345 -89.8345 -89.7883 -89.7883 -89.7883 -89.7883 5.0778 5.0778 5.0778 5.0778 5.7383 5.7383 5.7383 5.7383 12.4414 12.4414 12.4414 12.4414 12.5991 12.5991 12.5992 12.5992 k = 0.4041 0.3173 0.2887 ( 2328 PWs) bands (ev): -89.8347 -89.8347 -89.8347 -89.8347 -89.7884 -89.7884 -89.7884 -89.7884 5.0114 5.0114 5.0114 5.0114 5.6461 5.6461 5.6461 5.6461 12.5602 12.5602 12.5602 12.5602 12.7491 12.7491 12.7491 12.7491 k = 0.3973 0.3173 0.2887 ( 2328 PWs) bands (ev): -89.8348 -89.8348 -89.8348 -89.8348 -89.7886 -89.7886 -89.7886 -89.7886 4.9425 4.9425 4.9425 4.9425 5.5517 5.5517 5.5517 5.5517 12.6850 12.6850 12.6850 12.6850 12.9055 12.9055 12.9055 12.9055 k = 0.3904 0.3173 0.2887 ( 2324 PWs) bands (ev): -89.8350 -89.8350 -89.8350 -89.8350 -89.7887 -89.7887 -89.7887 -89.7887 4.8717 4.8717 4.8717 4.8717 5.4555 5.4555 5.4555 5.4555 12.8155 12.8155 12.8155 12.8155 13.0678 13.0678 13.0678 13.0678 k = 0.3836 0.3173 0.2887 ( 2324 PWs) bands (ev): -89.8352 -89.8352 -89.8352 -89.8352 -89.7889 -89.7889 -89.7889 -89.7889 4.7992 4.7992 4.7992 4.7992 5.3580 5.3580 5.3580 5.3580 12.9514 12.9514 12.9514 12.9514 13.2357 13.2357 13.2357 13.2357 k = 0.3767 0.3173 0.2887 ( 2324 PWs) bands (ev): -89.8354 -89.8354 -89.8354 -89.8354 -89.7891 -89.7891 -89.7891 -89.7891 4.7253 4.7253 4.7253 4.7253 5.2594 5.2594 5.2595 5.2595 13.0923 13.0923 13.0923 13.0923 13.4087 13.4087 13.4087 13.4087 k = 0.3699 0.3173 0.2887 ( 2320 PWs) bands (ev): -89.8355 -89.8355 -89.8355 -89.8355 -89.7892 -89.7892 -89.7892 -89.7892 4.6502 4.6502 4.6502 4.6502 5.1602 5.1602 5.1602 5.1602 13.2379 13.2379 13.2379 13.2379 13.5865 13.5865 13.5865 13.5865 k = 0.3630 0.3173 0.2887 ( 2320 PWs) bands (ev): -89.8357 -89.8357 -89.8357 -89.8357 -89.7894 -89.7894 -89.7894 -89.7894 4.5743 4.5743 4.5743 4.5743 5.0607 5.0607 5.0607 5.0607 13.3879 13.3879 13.3879 13.3879 13.7687 13.7687 13.7687 13.7687 k = 0.3562 0.3173 0.2887 ( 2316 PWs) bands (ev): -89.8359 -89.8359 -89.8359 -89.8359 -89.7896 -89.7896 -89.7896 -89.7896 4.4977 4.4977 4.4977 4.4977 4.9610 4.9610 4.9610 4.9610 13.5419 13.5419 13.5420 13.5420 13.9551 13.9551 13.9551 13.9551 k = 0.3493 0.3173 0.2887 ( 2320 PWs) bands (ev): -89.8362 -89.8362 -89.8362 -89.8362 -89.7898 -89.7898 -89.7898 -89.7898 4.4207 4.4207 4.4207 4.4207 4.8615 4.8615 4.8615 4.8615 13.6998 13.6998 13.6998 13.6998 14.1454 14.1454 14.1454 14.1454 k = 0.3425 0.3173 0.2887 ( 2316 PWs) bands (ev): -89.8364 -89.8364 -89.8364 -89.8364 -89.7900 -89.7900 -89.7900 -89.7900 4.3435 4.3435 4.3435 4.3435 4.7623 4.7623 4.7623 4.7623 13.8612 13.8612 13.8612 13.8612 14.3393 14.3393 14.3393 14.3393 k = 0.3356 0.3173 0.2887 ( 2316 PWs) bands (ev): -89.8366 -89.8366 -89.8366 -89.8366 -89.7902 -89.7902 -89.7902 -89.7902 4.2662 4.2662 4.2662 4.2662 4.6637 4.6637 4.6637 4.6637 14.0259 14.0259 14.0259 14.0259 14.5366 14.5366 14.5366 14.5366 k = 0.3288 0.3173 0.2887 ( 2316 PWs) bands (ev): -89.8368 -89.8368 -89.8368 -89.8368 -89.7904 -89.7904 -89.7904 -89.7904 4.1890 4.1890 4.1890 4.1890 4.5657 4.5657 4.5657 4.5657 14.1935 14.1935 14.1935 14.1935 14.7371 14.7371 14.7371 14.7371 k = 0.3219 0.3173 0.2887 ( 2316 PWs) bands (ev): -89.8371 -89.8371 -89.8371 -89.8371 -89.7907 -89.7907 -89.7907 -89.7907 4.1121 4.1121 4.1121 4.1121 4.4686 4.4686 4.4686 4.4686 14.3638 14.3638 14.3639 14.3639 14.9406 14.9406 14.9406 14.9406 k = 0.3151 0.3173 0.2887 ( 2316 PWs) bands (ev): -89.8373 -89.8373 -89.8373 -89.8373 -89.7909 -89.7909 -89.7909 -89.7909 4.0356 4.0356 4.0357 4.0357 4.3725 4.3725 4.3725 4.3725 14.5366 14.5366 14.5366 14.5366 15.1469 15.1469 15.1469 15.1469 k = 0.3082 0.3173 0.2887 ( 2316 PWs) bands (ev): -89.8376 -89.8376 -89.8376 -89.8376 -89.7911 -89.7911 -89.7911 -89.7911 3.9597 3.9597 3.9597 3.9597 4.2776 4.2776 4.2776 4.2776 14.7115 14.7115 14.7116 14.7116 15.3558 15.3558 15.3558 15.3558 k = 0.3014 0.3173 0.2887 ( 2320 PWs) bands (ev): -89.8378 -89.8378 -89.8378 -89.8378 -89.7914 -89.7914 -89.7914 -89.7914 3.8844 3.8844 3.8844 3.8844 4.1838 4.1838 4.1838 4.1838 14.8883 14.8883 14.8884 14.8884 15.5671 15.5671 15.5672 15.5672 k = 0.2945 0.3173 0.2887 ( 2320 PWs) bands (ev): -89.8381 -89.8381 -89.8381 -89.8381 -89.7916 -89.7916 -89.7916 -89.7916 3.8099 3.8099 3.8099 3.8099 4.0914 4.0914 4.0914 4.0914 15.0667 15.0667 15.0667 15.0667 15.7807 15.7807 15.7807 15.7807 k = 0.2877 0.3173 0.2887 ( 2312 PWs) bands (ev): -89.8383 -89.8383 -89.8383 -89.8383 -89.7918 -89.7918 -89.7918 -89.7918 3.7363 3.7363 3.7363 3.7363 4.0004 4.0004 4.0004 4.0004 15.2463 15.2463 15.2463 15.2463 15.9963 15.9963 15.9964 15.9964 k = 0.2808 0.3173 0.2887 ( 2312 PWs) bands (ev): -89.8386 -89.8386 -89.8386 -89.8386 -89.7921 -89.7921 -89.7921 -89.7921 3.6636 3.6636 3.6636 3.6636 3.9109 3.9109 3.9109 3.9109 15.4267 15.4267 15.4268 15.4268 16.2138 16.2138 16.2139 16.2139 k = 0.2740 0.3173 0.2887 ( 2316 PWs) bands (ev): -89.8388 -89.8388 -89.8388 -89.8388 -89.7923 -89.7923 -89.7923 -89.7923 3.5920 3.5920 3.5920 3.5920 3.8230 3.8230 3.8230 3.8230 15.6076 15.6076 15.6077 15.6077 16.4330 16.4330 16.4331 16.4331 k = 0.2671 0.3173 0.2887 ( 2316 PWs) bands (ev): -89.8391 -89.8391 -89.8391 -89.8391 -89.7926 -89.7926 -89.7926 -89.7926 3.5215 3.5215 3.5215 3.5215 3.7367 3.7367 3.7367 3.7367 15.7885 15.7885 15.7886 15.7886 16.6537 16.6537 16.6537 16.6537 k = 0.2603 0.3173 0.2887 ( 2324 PWs) bands (ev): -89.8394 -89.8394 -89.8394 -89.8394 -89.7928 -89.7928 -89.7928 -89.7928 3.4522 3.4522 3.4522 3.4522 3.6521 3.6521 3.6521 3.6521 15.9690 15.9690 15.9690 15.9690 16.8756 16.8756 16.8756 16.8756 k = 0.2534 0.3173 0.2887 ( 2320 PWs) bands (ev): -89.8396 -89.8396 -89.8396 -89.8396 -89.7931 -89.7931 -89.7931 -89.7931 3.3841 3.3841 3.3841 3.3841 3.5693 3.5693 3.5693 3.5693 16.1484 16.1484 16.1484 16.1484 17.0985 17.0985 17.0986 17.0986 k = 0.2466 0.3173 0.2887 ( 2324 PWs) bands (ev): -89.8399 -89.8399 -89.8399 -89.8399 -89.7933 -89.7933 -89.7933 -89.7933 3.3174 3.3174 3.3174 3.3174 3.4883 3.4883 3.4883 3.4883 16.3260 16.3260 16.3261 16.3261 17.3222 17.3222 17.3222 17.3222 k = 0.2397 0.3173 0.2887 ( 2328 PWs) bands (ev): -89.8401 -89.8401 -89.8401 -89.8401 -89.7936 -89.7936 -89.7936 -89.7936 3.2520 3.2520 3.2520 3.2520 3.4091 3.4091 3.4091 3.4091 16.5012 16.5012 16.5013 16.5013 17.5463 17.5463 17.5463 17.5463 k = 0.2329 0.3173 0.2887 ( 2332 PWs) bands (ev): -89.8404 -89.8404 -89.8404 -89.8404 -89.7938 -89.7938 -89.7938 -89.7938 3.1881 3.1881 3.1881 3.1881 3.3318 3.3318 3.3318 3.3318 16.6729 16.6729 16.6730 16.6730 17.7705 17.7705 17.7705 17.7705 k = 0.2260 0.3173 0.2887 ( 2328 PWs) bands (ev): -89.8407 -89.8407 -89.8407 -89.8407 -89.7940 -89.7940 -89.7940 -89.7940 3.1256 3.1256 3.1256 3.1256 3.2565 3.2565 3.2565 3.2565 16.8403 16.8403 16.8404 16.8404 17.9944 17.9944 17.9944 17.9944 k = 0.2192 0.3173 0.2887 ( 2328 PWs) bands (ev): -89.8409 -89.8409 -89.8409 -89.8409 -89.7943 -89.7943 -89.7943 -89.7943 3.0646 3.0646 3.0646 3.0646 3.1832 3.1832 3.1832 3.1832 17.0021 17.0021 17.0022 17.0022 18.2175 18.2175 18.2176 18.2176 k = 0.2123 0.3173 0.2887 ( 2324 PWs) bands (ev): -89.8412 -89.8412 -89.8412 -89.8412 -89.7945 -89.7945 -89.7945 -89.7945 3.0053 3.0053 3.0053 3.0053 3.1118 3.1118 3.1118 3.1118 17.1569 17.1569 17.1570 17.1570 18.4393 18.4393 18.4394 18.4394 k = 0.2055 0.3173 0.2887 ( 2324 PWs) bands (ev): -89.8415 -89.8415 -89.8415 -89.8415 -89.7948 -89.7948 -89.7948 -89.7948 2.9475 2.9475 2.9475 2.9475 3.0425 3.0425 3.0425 3.0425 17.3033 17.3033 17.3034 17.3034 18.6591 18.6591 18.6592 18.6592 k = 0.1986 0.3173 0.2887 ( 2320 PWs) bands (ev): -89.8417 -89.8417 -89.8417 -89.8417 -89.7950 -89.7950 -89.7950 -89.7950 2.8913 2.8913 2.8913 2.8913 2.9752 2.9752 2.9752 2.9752 17.4397 17.4397 17.4399 17.4399 18.8762 18.8762 18.8763 18.8763 k = 0.1918 0.3173 0.2887 ( 2316 PWs) bands (ev): -89.8419 -89.8419 -89.8419 -89.8419 -89.7952 -89.7952 -89.7952 -89.7952 2.8368 2.8368 2.8368 2.8368 2.9101 2.9101 2.9101 2.9101 17.5647 17.5647 17.5648 17.5648 19.0895 19.0895 19.0896 19.0896 k = 0.1849 0.3173 0.2887 ( 2316 PWs) bands (ev): -89.8422 -89.8422 -89.8422 -89.8422 -89.7955 -89.7955 -89.7955 -89.7955 2.7840 2.7840 2.7840 2.7840 2.8470 2.8470 2.8470 2.8470 17.6768 17.6768 17.6769 17.6769 19.2980 19.2980 19.2981 19.2981 k = 0.1781 0.3173 0.2887 ( 2316 PWs) bands (ev): -89.8424 -89.8424 -89.8424 -89.8424 -89.7957 -89.7957 -89.7957 -89.7957 2.7330 2.7330 2.7330 2.7330 2.7861 2.7861 2.7861 2.7861 17.7749 17.7749 17.7751 17.7751 19.5002 19.5002 19.5003 19.5003 k = 0.1712 0.3173 0.2887 ( 2316 PWs) bands (ev): -89.8427 -89.8427 -89.8427 -89.8427 -89.7959 -89.7959 -89.7959 -89.7959 2.6836 2.6836 2.6836 2.6836 2.7274 2.7274 2.7274 2.7274 17.8587 17.8587 17.8588 17.8588 19.6946 19.6946 19.6947 19.6947 k = 0.1644 0.3173 0.2887 ( 2316 PWs) bands (ev): -89.8429 -89.8429 -89.8429 -89.8429 -89.7961 -89.7961 -89.7961 -89.7961 2.6361 2.6361 2.6361 2.6361 2.6708 2.6708 2.6708 2.6708 17.9281 17.9281 17.9282 17.9282 19.8792 19.8792 19.8793 19.8793 k = 0.1575 0.3173 0.2887 ( 2316 PWs) bands (ev): -89.8431 -89.8431 -89.8431 -89.8431 -89.7963 -89.7963 -89.7963 -89.7963 2.5903 2.5903 2.5903 2.5903 2.6164 2.6164 2.6164 2.6164 17.9837 17.9837 17.9838 17.9838 20.0520 20.0520 20.0522 20.0522 k = 0.1507 0.3173 0.2887 ( 2312 PWs) bands (ev): -89.8433 -89.8433 -89.8433 -89.8433 -89.7965 -89.7965 -89.7965 -89.7965 2.5464 2.5464 2.5464 2.5464 2.5642 2.5642 2.5642 2.5642 18.0267 18.0267 18.0269 18.0269 20.2109 20.2109 20.2111 20.2111 k = 0.1438 0.3173 0.2887 ( 2308 PWs) bands (ev): -89.8436 -89.8436 -89.8436 -89.8436 -89.7967 -89.7967 -89.7967 -89.7967 2.5043 2.5043 2.5043 2.5043 2.5143 2.5143 2.5143 2.5143 18.0587 18.0587 18.0588 18.0588 20.3540 20.3540 20.3541 20.3541 k = 0.1370 0.3173 0.2887 ( 2304 PWs) bands (ev): -89.8438 -89.8438 -89.8438 -89.8438 -89.7969 -89.7969 -89.7969 -89.7969 2.4640 2.4640 2.4640 2.4640 2.4666 2.4666 2.4666 2.4666 18.0811 18.0811 18.0812 18.0812 20.4796 20.4796 20.4797 20.4797 k = 0.1301 0.3173 0.2887 ( 2304 PWs) bands (ev): -89.8440 -89.8440 -89.8440 -89.8440 -89.7971 -89.7971 -89.7971 -89.7971 2.4212 2.4212 2.4212 2.4212 2.4257 2.4257 2.4257 2.4257 18.0956 18.0956 18.0957 18.0957 20.5870 20.5870 20.5872 20.5872 k = 0.1233 0.3173 0.2887 ( 2300 PWs) bands (ev): -89.8441 -89.8441 -89.8441 -89.8441 -89.7973 -89.7973 -89.7973 -89.7973 2.3780 2.3780 2.3780 2.3780 2.3892 2.3892 2.3892 2.3892 18.1037 18.1037 18.1038 18.1038 20.6764 20.6764 20.6766 20.6766 k = 0.1164 0.3173 0.2887 ( 2308 PWs) bands (ev): -89.8443 -89.8443 -89.8443 -89.8443 -89.7975 -89.7975 -89.7975 -89.7975 2.3371 2.3371 2.3371 2.3371 2.3546 2.3546 2.3546 2.3546 18.1066 18.1066 18.1067 18.1067 20.7488 20.7488 20.7489 20.7489 k = 0.1096 0.3173 0.2887 ( 2312 PWs) bands (ev): -89.8445 -89.8445 -89.8445 -89.8445 -89.7976 -89.7976 -89.7976 -89.7976 2.2985 2.2985 2.2985 2.2985 2.3219 2.3219 2.3219 2.3219 18.1056 18.1056 18.1057 18.1057 20.8058 20.8058 20.8059 20.8059 k = 0.1027 0.3173 0.2887 ( 2312 PWs) bands (ev): -89.8447 -89.8447 -89.8447 -89.8447 -89.7978 -89.7978 -89.7978 -89.7978 2.2621 2.2621 2.2621 2.2621 2.2911 2.2911 2.2911 2.2911 18.1016 18.1016 18.1017 18.1017 20.8496 20.8496 20.8497 20.8497 k = 0.0959 0.3173 0.2887 ( 2312 PWs) bands (ev): -89.8448 -89.8448 -89.8448 -89.8448 -89.7979 -89.7979 -89.7979 -89.7979 2.2281 2.2281 2.2281 2.2281 2.2623 2.2623 2.2623 2.2623 18.0954 18.0954 18.0954 18.0954 20.8824 20.8824 20.8825 20.8825 k = 0.0890 0.3173 0.2887 ( 2312 PWs) bands (ev): -89.8450 -89.8450 -89.8450 -89.8450 -89.7981 -89.7981 -89.7981 -89.7981 2.1964 2.1964 2.1964 2.1964 2.2354 2.2354 2.2354 2.2354 18.0876 18.0876 18.0877 18.0877 20.9063 20.9063 20.9064 20.9064 k = 0.0822 0.3173 0.2887 ( 2312 PWs) bands (ev): -89.8451 -89.8451 -89.8451 -89.8451 -89.7982 -89.7982 -89.7982 -89.7982 2.1671 2.1671 2.1671 2.1671 2.2105 2.2105 2.2105 2.2105 18.0789 18.0789 18.0790 18.0790 20.9231 20.9231 20.9232 20.9232 k = 0.0753 0.3173 0.2887 ( 2308 PWs) bands (ev): -89.8452 -89.8452 -89.8452 -89.8452 -89.7983 -89.7983 -89.7983 -89.7983 2.1400 2.1400 2.1400 2.1400 2.1875 2.1875 2.1875 2.1875 18.0697 18.0697 18.0697 18.0697 20.9345 20.9345 20.9346 20.9346 k = 0.0685 0.3173 0.2887 ( 2304 PWs) bands (ev): -89.8453 -89.8453 -89.8453 -89.8453 -89.7984 -89.7984 -89.7984 -89.7984 2.1153 2.1153 2.1153 2.1153 2.1666 2.1666 2.1666 2.1666 18.0603 18.0603 18.0604 18.0604 20.9418 20.9418 20.9419 20.9419 k = 0.0616 0.3173 0.2887 ( 2304 PWs) bands (ev): -89.8454 -89.8454 -89.8454 -89.8454 -89.7985 -89.7985 -89.7985 -89.7985 2.0929 2.0929 2.0929 2.0929 2.1476 2.1476 2.1476 2.1476 18.0511 18.0511 18.0512 18.0512 20.9460 20.9460 20.9460 20.9460 k = 0.0548 0.3173 0.2887 ( 2304 PWs) bands (ev): -89.8455 -89.8455 -89.8455 -89.8455 -89.7986 -89.7986 -89.7986 -89.7986 2.0729 2.0729 2.0729 2.0729 2.1305 2.1305 2.1305 2.1305 18.0423 18.0423 18.0424 18.0424 20.9480 20.9480 20.9480 20.9480 k = 0.0479 0.3173 0.2887 ( 2304 PWs) bands (ev): -89.8456 -89.8456 -89.8456 -89.8456 -89.7987 -89.7987 -89.7987 -89.7987 2.0552 2.0552 2.0552 2.0552 2.1155 2.1155 2.1155 2.1155 18.0342 18.0342 18.0342 18.0342 20.9484 20.9484 20.9485 20.9485 k = 0.0411 0.3173 0.2887 ( 2308 PWs) bands (ev): -89.8457 -89.8457 -89.8457 -89.8457 -89.7987 -89.7987 -89.7987 -89.7987 2.0398 2.0398 2.0398 2.0398 2.1025 2.1025 2.1025 2.1025 18.0268 18.0268 18.0268 18.0268 20.9479 20.9479 20.9479 20.9479 k = 0.0342 0.3173 0.2887 ( 2308 PWs) bands (ev): -89.8458 -89.8458 -89.8458 -89.8458 -89.7988 -89.7988 -89.7988 -89.7988 2.0269 2.0269 2.0269 2.0269 2.0914 2.0914 2.0914 2.0914 18.0203 18.0203 18.0203 18.0203 20.9468 20.9468 20.9469 20.9469 k = 0.0274 0.3173 0.2887 ( 2308 PWs) bands (ev): -89.8458 -89.8458 -89.8458 -89.8458 -89.7988 -89.7988 -89.7988 -89.7988 2.0162 2.0162 2.0162 2.0162 2.0824 2.0824 2.0824 2.0824 18.0149 18.0149 18.0149 18.0149 20.9456 20.9456 20.9456 20.9456 k = 0.0205 0.3173 0.2887 ( 2312 PWs) bands (ev): -89.8458 -89.8458 -89.8458 -89.8458 -89.7989 -89.7989 -89.7989 -89.7989 2.0080 2.0080 2.0080 2.0080 2.0754 2.0754 2.0754 2.0754 18.0106 18.0106 18.0106 18.0106 20.9443 20.9443 20.9444 20.9444 k = 0.0137 0.3173 0.2887 ( 2316 PWs) bands (ev): -89.8459 -89.8459 -89.8459 -89.8459 -89.7989 -89.7989 -89.7989 -89.7989 2.0021 2.0021 2.0021 2.0021 2.0703 2.0703 2.0703 2.0703 18.0075 18.0075 18.0075 18.0075 20.9433 20.9433 20.9433 20.9433 k = 0.0068 0.3173 0.2887 ( 2316 PWs) bands (ev): -89.8459 -89.8459 -89.8459 -89.8459 -89.7989 -89.7989 -89.7989 -89.7989 1.9985 1.9985 1.9985 1.9985 2.0673 2.0673 2.0673 2.0673 18.0056 18.0056 18.0056 18.0056 20.9427 20.9427 20.9427 20.9427 k = 0.0000 0.3173 0.2887 ( 2316 PWs) bands (ev): -89.8459 -89.8459 -89.8459 -89.8459 -89.7989 -89.7989 -89.7989 -89.7989 1.9973 1.9973 1.9973 1.9973 2.0663 2.0663 2.0663 2.0663 18.0050 18.0050 18.0050 18.0050 20.9425 20.9425 20.9425 20.9425 k = 0.0000 0.3173 0.2887 ( 2316 PWs) bands (ev): -89.8459 -89.8459 -89.8459 -89.8459 -89.7989 -89.7989 -89.7989 -89.7989 1.9973 1.9973 1.9973 1.9973 2.0663 2.0663 2.0663 2.0663 18.0050 18.0050 18.0050 18.0050 20.9425 20.9425 20.9425 20.9425 k = 0.0000 0.3104 0.2887 ( 2316 PWs) bands (ev): -89.8459 -89.8459 -89.8459 -89.8459 -89.7989 -89.7989 -89.7989 -89.7989 1.9299 1.9299 1.9299 1.9299 2.1357 2.1357 2.1357 2.1357 18.0030 18.0030 18.0030 18.0030 20.9206 20.9206 20.9207 20.9207 k = 0.0000 0.3035 0.2887 ( 2316 PWs) bands (ev): -89.8459 -89.8459 -89.8459 -89.8459 -89.7989 -89.7989 -89.7989 -89.7989 1.8389 1.8389 1.8389 1.8389 2.2326 2.2326 2.2326 2.2326 17.9972 17.9972 17.9972 17.9972 20.8579 20.8579 20.8580 20.8580 k = 0.0000 0.2966 0.2887 ( 2316 PWs) bands (ev): -89.8460 -89.8460 -89.8460 -89.8460 -89.7988 -89.7988 -89.7988 -89.7988 1.7480 1.7480 1.7480 1.7480 2.3334 2.3334 2.3334 2.3334 17.9873 17.9873 17.9874 17.9874 20.7612 20.7612 20.7613 20.7613 k = 0.0000 0.2897 0.2887 ( 2312 PWs) bands (ev): -89.8461 -89.8461 -89.8461 -89.8461 -89.7988 -89.7988 -89.7988 -89.7988 1.6585 1.6585 1.6586 1.6586 2.4366 2.4366 2.4366 2.4366 17.9734 17.9734 17.9734 17.9734 20.6380 20.6380 20.6381 20.6381 k = 0.0000 0.2828 0.2887 ( 2308 PWs) bands (ev): -89.8462 -89.8462 -89.8462 -89.8462 -89.7987 -89.7987 -89.7987 -89.7987 1.5710 1.5710 1.5710 1.5710 2.5418 2.5418 2.5419 2.5419 17.9551 17.9551 17.9551 17.9551 20.4949 20.4949 20.4951 20.4951 k = 0.0000 0.2759 0.2887 ( 2308 PWs) bands (ev): -89.8463 -89.8463 -89.8463 -89.8463 -89.7985 -89.7985 -89.7985 -89.7985 1.4853 1.4853 1.4853 1.4853 2.6491 2.6491 2.6491 2.6491 17.9322 17.9322 17.9322 17.9322 20.3373 20.3373 20.3374 20.3374 k = 0.0000 0.2690 0.2887 ( 2308 PWs) bands (ev): -89.8464 -89.8464 -89.8464 -89.8464 -89.7984 -89.7984 -89.7984 -89.7984 1.4017 1.4017 1.4017 1.4017 2.7582 2.7582 2.7582 2.7582 17.9041 17.9041 17.9042 17.9042 20.1692 20.1692 20.1694 20.1694 k = 0.0000 0.2621 0.2887 ( 2300 PWs) bands (ev): -89.8466 -89.8466 -89.8466 -89.8466 -89.7982 -89.7982 -89.7982 -89.7982 1.3200 1.3200 1.3200 1.3200 2.8691 2.8691 2.8691 2.8691 17.8705 17.8705 17.8705 17.8705 19.9942 19.9942 19.9943 19.9943 k = 0.0000 0.2552 0.2887 ( 2300 PWs) bands (ev): -89.8467 -89.8467 -89.8467 -89.8467 -89.7981 -89.7981 -89.7981 -89.7981 1.2404 1.2404 1.2404 1.2404 2.9818 2.9818 2.9818 2.9818 17.8303 17.8303 17.8303 17.8303 19.8152 19.8152 19.8153 19.8153 k = 0.0000 0.2483 0.2887 ( 2300 PWs) bands (ev): -89.8469 -89.8469 -89.8469 -89.8469 -89.7979 -89.7979 -89.7979 -89.7979 1.1629 1.1629 1.1629 1.1629 3.0963 3.0963 3.0963 3.0963 17.7827 17.7827 17.7827 17.7827 19.6351 19.6351 19.6352 19.6352 k = 0.0000 0.2414 0.2887 ( 2304 PWs) bands (ev): -89.8471 -89.8471 -89.8471 -89.8471 -89.7977 -89.7977 -89.7977 -89.7977 1.0875 1.0875 1.0875 1.0875 3.2124 3.2124 3.2124 3.2124 17.7261 17.7261 17.7262 17.7262 19.4568 19.4568 19.4569 19.4569 k = 0.0000 0.2345 0.2887 ( 2308 PWs) bands (ev): -89.8474 -89.8474 -89.8474 -89.8474 -89.7975 -89.7975 -89.7975 -89.7975 1.0141 1.0141 1.0141 1.0141 3.3301 3.3301 3.3301 3.3301 17.6591 17.6591 17.6592 17.6592 19.2833 19.2833 19.2834 19.2834 k = 0.0000 0.2276 0.2887 ( 2308 PWs) bands (ev): -89.8476 -89.8476 -89.8476 -89.8476 -89.7972 -89.7972 -89.7972 -89.7972 0.9428 0.9428 0.9428 0.9428 3.4494 3.4494 3.4494 3.4494 17.5798 17.5798 17.5798 17.5798 19.1175 19.1175 19.1176 19.1176 k = 0.0000 0.2208 0.2887 ( 2300 PWs) bands (ev): -89.8478 -89.8478 -89.8478 -89.8478 -89.7970 -89.7970 -89.7970 -89.7970 0.8736 0.8736 0.8736 0.8736 3.5703 3.5703 3.5703 3.5703 17.4862 17.4862 17.4862 17.4862 18.9625 18.9625 18.9626 18.9626 k = 0.0000 0.2139 0.2887 ( 2300 PWs) bands (ev): -89.8481 -89.8481 -89.8481 -89.8481 -89.7967 -89.7967 -89.7967 -89.7967 0.8065 0.8065 0.8065 0.8065 3.6925 3.6925 3.6925 3.6925 17.3767 17.3767 17.3767 17.3767 18.8206 18.8206 18.8207 18.8207 k = 0.0000 0.2070 0.2887 ( 2296 PWs) bands (ev): -89.8483 -89.8483 -89.8483 -89.8483 -89.7965 -89.7965 -89.7965 -89.7965 0.7415 0.7415 0.7415 0.7415 3.8161 3.8161 3.8161 3.8161 17.2507 17.2507 17.2507 17.2507 18.6936 18.6936 18.6936 18.6936 k = 0.0000 0.2001 0.2887 ( 2290 PWs) bands (ev): -89.8486 -89.8486 -89.8486 -89.8486 -89.7962 -89.7962 -89.7962 -89.7962 0.6786 0.6786 0.6787 0.6787 3.9409 3.9409 3.9409 3.9409 17.1082 17.1082 17.1082 17.1082 18.5818 18.5818 18.5819 18.5819 k = 0.0000 0.1932 0.2887 ( 2294 PWs) bands (ev): -89.8489 -89.8489 -89.8489 -89.8489 -89.7960 -89.7960 -89.7960 -89.7960 0.6179 0.6179 0.6179 0.6179 4.0669 4.0669 4.0669 4.0669 16.9508 16.9508 16.9508 16.9508 18.4846 18.4846 18.4847 18.4847 k = 0.0000 0.1863 0.2887 ( 2294 PWs) bands (ev): -89.8491 -89.8491 -89.8491 -89.8491 -89.7957 -89.7957 -89.7957 -89.7957 0.5592 0.5592 0.5592 0.5592 4.1940 4.1940 4.1940 4.1940 16.7805 16.7805 16.7805 16.7805 18.4006 18.4006 18.4007 18.4007 k = 0.0000 0.1794 0.2887 ( 2302 PWs) bands (ev): -89.8494 -89.8494 -89.8494 -89.8494 -89.7954 -89.7954 -89.7954 -89.7954 0.5027 0.5027 0.5027 0.5027 4.3220 4.3220 4.3220 4.3220 16.5998 16.5998 16.5998 16.5998 18.3279 18.3279 18.3279 18.3279 k = 0.0000 0.1725 0.2887 ( 2310 PWs) bands (ev): -89.8497 -89.8497 -89.8497 -89.8497 -89.7951 -89.7951 -89.7951 -89.7951 0.4483 0.4483 0.4483 0.4483 4.4508 4.4508 4.4508 4.4508 16.4112 16.4112 16.4112 16.4112 18.2645 18.2645 18.2645 18.2645 k = 0.0000 0.1656 0.2887 ( 2310 PWs) bands (ev): -89.8500 -89.8500 -89.8500 -89.8500 -89.7949 -89.7949 -89.7949 -89.7949 0.3960 0.3960 0.3960 0.3960 4.5802 4.5802 4.5802 4.5802 16.2169 16.2169 16.2169 16.2169 18.2087 18.2087 18.2088 18.2088 k = 0.0000 0.1587 0.2887 ( 2310 PWs) bands (ev): -89.8502 -89.8502 -89.8502 -89.8502 -89.7946 -89.7946 -89.7946 -89.7946 0.3459 0.3459 0.3459 0.3459 4.7101 4.7101 4.7101 4.7101 16.0189 16.0189 16.0189 16.0189 18.1592 18.1592 18.1592 18.1592 k = 0.0000 0.1518 0.2887 ( 2308 PWs) bands (ev): -89.8505 -89.8505 -89.8505 -89.8505 -89.7943 -89.7943 -89.7943 -89.7943 0.2978 0.2978 0.2978 0.2978 4.8403 4.8403 4.8403 4.8403 15.8187 15.8187 15.8187 15.8187 18.1147 18.1147 18.1148 18.1148 k = 0.0000 0.1449 0.2887 ( 2310 PWs) bands (ev): -89.8508 -89.8508 -89.8508 -89.8508 -89.7940 -89.7940 -89.7940 -89.7940 0.2519 0.2519 0.2519 0.2519 4.9705 4.9705 4.9705 4.9705 15.6178 15.6178 15.6178 15.6178 18.0745 18.0745 18.0746 18.0746 k = 0.0000 0.1380 0.2887 ( 2308 PWs) bands (ev): -89.8510 -89.8510 -89.8510 -89.8510 -89.7938 -89.7938 -89.7938 -89.7938 0.2082 0.2082 0.2082 0.2082 5.1006 5.1006 5.1006 5.1006 15.4173 15.4173 15.4173 15.4173 18.0379 18.0379 18.0380 18.0380 k = 0.0000 0.1311 0.2887 ( 2308 PWs) bands (ev): -89.8513 -89.8513 -89.8513 -89.8513 -89.7935 -89.7935 -89.7935 -89.7935 0.1665 0.1665 0.1665 0.1665 5.2302 5.2302 5.2302 5.2302 15.2183 15.2183 15.2183 15.2183 18.0044 18.0044 18.0044 18.0044 k = 0.0000 0.1242 0.2887 ( 2308 PWs) bands (ev): -89.8515 -89.8515 -89.8515 -89.8515 -89.7933 -89.7933 -89.7933 -89.7933 0.1270 0.1270 0.1270 0.1270 5.3590 5.3590 5.3590 5.3590 15.0216 15.0216 15.0216 15.0216 17.9735 17.9735 17.9735 17.9735 k = 0.0000 0.1173 0.2887 ( 2304 PWs) bands (ev): -89.8518 -89.8518 -89.8518 -89.8518 -89.7930 -89.7930 -89.7930 -89.7930 0.0896 0.0896 0.0896 0.0896 5.4867 5.4867 5.4867 5.4867 14.8281 14.8281 14.8281 14.8281 17.9450 17.9450 17.9450 17.9450 k = 0.0000 0.1104 0.2887 ( 2296 PWs) bands (ev): -89.8520 -89.8520 -89.8520 -89.8520 -89.7928 -89.7928 -89.7928 -89.7928 0.0544 0.0544 0.0544 0.0544 5.6129 5.6129 5.6129 5.6129 14.6385 14.6385 14.6386 14.6386 17.9187 17.9187 17.9187 17.9187 k = 0.0000 0.1035 0.2887 ( 2288 PWs) bands (ev): -89.8522 -89.8522 -89.8522 -89.8522 -89.7926 -89.7926 -89.7926 -89.7926 0.0213 0.0213 0.0213 0.0213 5.7372 5.7372 5.7372 5.7372 14.4537 14.4537 14.4537 14.4537 17.8943 17.8943 17.8944 17.8944 k = 0.0000 0.0966 0.2887 ( 2288 PWs) bands (ev): -89.8525 -89.8525 -89.8525 -89.8525 -89.7924 -89.7924 -89.7924 -89.7924 -0.0097 -0.0097 -0.0097 -0.0097 5.8590 5.8590 5.8590 5.8590 14.2744 14.2744 14.2744 14.2744 17.8719 17.8719 17.8719 17.8719 k = 0.0000 0.0897 0.2887 ( 2290 PWs) bands (ev): -89.8527 -89.8527 -89.8527 -89.8527 -89.7922 -89.7922 -89.7922 -89.7922 -0.0385 -0.0385 -0.0385 -0.0385 5.9777 5.9777 5.9777 5.9777 14.1013 14.1013 14.1014 14.1014 17.8511 17.8511 17.8512 17.8512 k = 0.0000 0.0828 0.2887 ( 2294 PWs) bands (ev): -89.8528 -89.8528 -89.8528 -89.8528 -89.7920 -89.7920 -89.7920 -89.7920 -0.0652 -0.0652 -0.0652 -0.0652 6.0929 6.0929 6.0929 6.0929 13.9354 13.9354 13.9354 13.9354 17.8321 17.8321 17.8322 17.8322 k = 0.0000 0.0759 0.2887 ( 2294 PWs) bands (ev): -89.8530 -89.8530 -89.8530 -89.8530 -89.7918 -89.7918 -89.7918 -89.7918 -0.0898 -0.0898 -0.0898 -0.0898 6.2037 6.2037 6.2037 6.2037 13.7774 13.7774 13.7774 13.7774 17.8148 17.8148 17.8148 17.8148 k = 0.0000 0.0690 0.2887 ( 2290 PWs) bands (ev): -89.8532 -89.8532 -89.8532 -89.8532 -89.7916 -89.7916 -89.7916 -89.7916 -0.1122 -0.1122 -0.1122 -0.1122 6.3094 6.3094 6.3094 6.3094 13.6282 13.6282 13.6282 13.6282 17.7990 17.7990 17.7990 17.7990 k = 0.0000 0.0621 0.2887 ( 2300 PWs) bands (ev): -89.8533 -89.8533 -89.8533 -89.8533 -89.7915 -89.7915 -89.7915 -89.7915 -0.1325 -0.1325 -0.1325 -0.1325 6.4091 6.4091 6.4091 6.4091 13.4888 13.4888 13.4888 13.4888 17.7848 17.7848 17.7848 17.7848 k = 0.0000 0.0552 0.2887 ( 2304 PWs) bands (ev): -89.8535 -89.8535 -89.8535 -89.8535 -89.7913 -89.7913 -89.7913 -89.7913 -0.1507 -0.1507 -0.1507 -0.1507 6.5021 6.5021 6.5021 6.5021 13.3601 13.3601 13.3601 13.3601 17.7721 17.7721 17.7721 17.7721 k = 0.0000 0.0483 0.2887 ( 2304 PWs) bands (ev): -89.8536 -89.8536 -89.8536 -89.8536 -89.7912 -89.7912 -89.7912 -89.7912 -0.1667 -0.1667 -0.1667 -0.1667 6.5873 6.5873 6.5873 6.5873 13.2433 13.2433 13.2433 13.2433 17.7609 17.7609 17.7610 17.7610 k = 0.0000 0.0414 0.2887 ( 2302 PWs) bands (ev): -89.8537 -89.8537 -89.8537 -89.8537 -89.7911 -89.7911 -89.7911 -89.7911 -0.1806 -0.1806 -0.1806 -0.1806 6.6638 6.6638 6.6638 6.6638 13.1392 13.1392 13.1392 13.1392 17.7513 17.7513 17.7513 17.7513 k = 0.0000 0.0345 0.2887 ( 2298 PWs) bands (ev): -89.8538 -89.8538 -89.8538 -89.8538 -89.7910 -89.7910 -89.7910 -89.7910 -0.1923 -0.1923 -0.1923 -0.1923 6.7306 6.7306 6.7306 6.7306 13.0490 13.0490 13.0490 13.0490 17.7432 17.7432 17.7432 17.7432 k = 0.0000 0.0276 0.2887 ( 2298 PWs) bands (ev): -89.8539 -89.8539 -89.8539 -89.8539 -89.7910 -89.7910 -89.7910 -89.7910 -0.2019 -0.2019 -0.2019 -0.2019 6.7868 6.7868 6.7868 6.7868 12.9736 12.9736 12.9736 12.9736 17.7365 17.7365 17.7365 17.7365 k = 0.0000 0.0207 0.2887 ( 2300 PWs) bands (ev): -89.8539 -89.8539 -89.8539 -89.8539 -89.7909 -89.7909 -89.7909 -89.7909 -0.2094 -0.2094 -0.2094 -0.2094 6.8315 6.8315 6.8315 6.8315 12.9139 12.9139 12.9139 12.9139 17.7313 17.7313 17.7314 17.7314 k = 0.0000 0.0138 0.2887 ( 2292 PWs) bands (ev): -89.8539 -89.8539 -89.8539 -89.8539 -89.7909 -89.7909 -89.7909 -89.7909 -0.2148 -0.2148 -0.2148 -0.2148 6.8640 6.8640 6.8640 6.8640 12.8706 12.8706 12.8707 12.8707 17.7276 17.7276 17.7277 17.7277 k = 0.0000 0.0069 0.2887 ( 2292 PWs) bands (ev): -89.8540 -89.8540 -89.8540 -89.8540 -89.7908 -89.7908 -89.7908 -89.7908 -0.2180 -0.2180 -0.2180 -0.2180 6.8838 6.8838 6.8838 6.8838 12.8445 12.8445 12.8445 12.8445 17.7254 17.7254 17.7255 17.7255 k = 0.0000 0.0000 0.2887 ( 2296 PWs) bands (ev): -89.8540 -89.8540 -89.8540 -89.8540 -89.7908 -89.7908 -89.7908 -89.7908 -0.2190 -0.2190 -0.2190 -0.2190 6.8904 6.8904 6.8904 6.8904 12.8357 12.8357 12.8357 12.8357 17.7247 17.7247 17.7247 17.7247 k = 0.0000 0.3173-0.0000 ( 2330 PWs) bands (ev): -89.8481 -89.8481 -89.8481 -89.8481 -89.7968 -89.7968 -89.7968 -89.7968 0.1722 0.1722 0.1722 0.1722 6.0223 6.0223 6.0223 6.0223 11.1388 11.1388 11.1388 11.1388 21.7807 21.7807 21.7809 21.7809 k = 0.0000 0.3173 0.0069 ( 2320 PWs) bands (ev): -89.8481 -89.8481 -89.8481 -89.8481 -89.7968 -89.7968 -89.7968 -89.7968 0.1732 0.1732 0.1732 0.1732 6.0159 6.0159 6.0159 6.0159 11.1477 11.1477 11.1477 11.1477 21.7811 21.7811 21.7813 21.7813 k = 0.0000 0.3173 0.0137 ( 2320 PWs) bands (ev): -89.8480 -89.8480 -89.8480 -89.8480 -89.7968 -89.7968 -89.7968 -89.7968 0.1764 0.1764 0.1764 0.1764 5.9968 5.9968 5.9968 5.9968 11.1740 11.1740 11.1740 11.1740 21.7823 21.7823 21.7825 21.7825 k = 0.0000 0.3173 0.0206 ( 2314 PWs) bands (ev): -89.8480 -89.8480 -89.8480 -89.8480 -89.7968 -89.7968 -89.7968 -89.7968 0.1817 0.1817 0.1817 0.1817 5.9653 5.9653 5.9653 5.9653 11.2175 11.2175 11.2175 11.2175 21.7842 21.7842 21.7844 21.7844 k = 0.0000 0.3173 0.0275 ( 2318 PWs) bands (ev): -89.8480 -89.8480 -89.8480 -89.8480 -89.7968 -89.7968 -89.7968 -89.7968 0.1891 0.1891 0.1891 0.1891 5.9222 5.9222 5.9222 5.9222 11.2774 11.2774 11.2774 11.2774 21.7869 21.7869 21.7871 21.7871 k = 0.0000 0.3173 0.0344 ( 2316 PWs) bands (ev): -89.8480 -89.8480 -89.8480 -89.8480 -89.7968 -89.7968 -89.7968 -89.7968 0.1987 0.1987 0.1987 0.1987 5.8682 5.8682 5.8682 5.8682 11.3531 11.3531 11.3531 11.3531 21.7903 21.7903 21.7905 21.7905 k = 0.0000 0.3173 0.0412 ( 2312 PWs) bands (ev): -89.8480 -89.8480 -89.8480 -89.8480 -89.7969 -89.7969 -89.7969 -89.7969 0.2103 0.2103 0.2103 0.2103 5.8042 5.8042 5.8042 5.8042 11.4435 11.4435 11.4435 11.4435 21.7944 21.7944 21.7946 21.7946 k = 0.0000 0.3173 0.0481 ( 2312 PWs) bands (ev): -89.8479 -89.8479 -89.8479 -89.8479 -89.7969 -89.7969 -89.7969 -89.7969 0.2241 0.2241 0.2241 0.2241 5.7312 5.7312 5.7312 5.7312 11.5476 11.5476 11.5476 11.5476 21.7992 21.7992 21.7994 21.7994 k = 0.0000 0.3173 0.0550 ( 2316 PWs) bands (ev): -89.8479 -89.8479 -89.8479 -89.8479 -89.7969 -89.7969 -89.7969 -89.7969 0.2400 0.2400 0.2400 0.2400 5.6503 5.6503 5.6503 5.6503 11.6644 11.6644 11.6644 11.6644 21.8046 21.8046 21.8048 21.8048 k = 0.0000 0.3173 0.0619 ( 2316 PWs) bands (ev): -89.8478 -89.8478 -89.8478 -89.8478 -89.7970 -89.7970 -89.7970 -89.7970 0.2580 0.2580 0.2580 0.2580 5.5624 5.5624 5.5624 5.5624 11.7929 11.7929 11.7930 11.7930 21.8106 21.8106 21.8108 21.8108 k = 0.0000 0.3173 0.0687 ( 2320 PWs) bands (ev): -89.8478 -89.8478 -89.8478 -89.8478 -89.7970 -89.7970 -89.7970 -89.7970 0.2781 0.2781 0.2781 0.2781 5.4685 5.4685 5.4685 5.4685 11.9322 11.9322 11.9322 11.9322 21.8171 21.8171 21.8173 21.8173 k = 0.0000 0.3173 0.0756 ( 2326 PWs) bands (ev): -89.8477 -89.8477 -89.8477 -89.8477 -89.7971 -89.7971 -89.7971 -89.7971 0.3003 0.3003 0.3003 0.3003 5.3694 5.3694 5.3694 5.3694 12.0812 12.0812 12.0813 12.0813 21.8242 21.8242 21.8243 21.8243 k = 0.0000 0.3173 0.0825 ( 2326 PWs) bands (ev): -89.8477 -89.8477 -89.8477 -89.8477 -89.7972 -89.7972 -89.7972 -89.7972 0.3247 0.3247 0.3247 0.3247 5.2660 5.2660 5.2660 5.2660 12.2393 12.2393 12.2393 12.2393 21.8316 21.8316 21.8318 21.8318 k = 0.0000 0.3173 0.0894 ( 2320 PWs) bands (ev): -89.8476 -89.8476 -89.8476 -89.8476 -89.7972 -89.7972 -89.7972 -89.7972 0.3511 0.3511 0.3511 0.3511 5.1591 5.1591 5.1591 5.1591 12.4055 12.4055 12.4055 12.4055 21.8395 21.8395 21.8397 21.8397 k = 0.0000 0.3173 0.0962 ( 2324 PWs) bands (ev): -89.8475 -89.8475 -89.8475 -89.8475 -89.7973 -89.7973 -89.7973 -89.7973 0.3797 0.3797 0.3797 0.3797 5.0492 5.0492 5.0492 5.0492 12.5791 12.5791 12.5792 12.5792 21.8477 21.8477 21.8478 21.8478 k = 0.0000 0.3173 0.1031 ( 2322 PWs) bands (ev): -89.8475 -89.8475 -89.8475 -89.8475 -89.7974 -89.7974 -89.7974 -89.7974 0.4104 0.4104 0.4104 0.4104 4.9370 4.9370 4.9370 4.9370 12.7597 12.7597 12.7597 12.7597 21.8561 21.8561 21.8563 21.8563 k = 0.0000 0.3173 0.1100 ( 2322 PWs) bands (ev): -89.8474 -89.8474 -89.8474 -89.8474 -89.7974 -89.7974 -89.7974 -89.7974 0.4432 0.4432 0.4432 0.4432 4.8230 4.8230 4.8230 4.8230 12.9465 12.9465 12.9465 12.9465 21.8646 21.8646 21.8648 21.8648 k = 0.0000 0.3173 0.1168 ( 2318 PWs) bands (ev): -89.8473 -89.8473 -89.8473 -89.8473 -89.7975 -89.7975 -89.7975 -89.7975 0.4781 0.4781 0.4781 0.4781 4.7076 4.7076 4.7076 4.7076 13.1390 13.1390 13.1390 13.1390 21.8733 21.8733 21.8735 21.8735 k = 0.0000 0.3173 0.1237 ( 2318 PWs) bands (ev): -89.8472 -89.8472 -89.8472 -89.8472 -89.7976 -89.7976 -89.7976 -89.7976 0.5152 0.5152 0.5152 0.5152 4.5913 4.5913 4.5913 4.5913 13.3369 13.3369 13.3369 13.3369 21.8819 21.8819 21.8821 21.8821 k = 0.0000 0.3173 0.1306 ( 2320 PWs) bands (ev): -89.8472 -89.8472 -89.8472 -89.8472 -89.7977 -89.7977 -89.7977 -89.7977 0.5543 0.5543 0.5543 0.5543 4.4744 4.4744 4.4744 4.4744 13.5395 13.5395 13.5396 13.5396 21.8905 21.8905 21.8906 21.8906 k = 0.0000 0.3173 0.1375 ( 2318 PWs) bands (ev): -89.8471 -89.8471 -89.8471 -89.8471 -89.7977 -89.7977 -89.7977 -89.7977 0.5956 0.5956 0.5956 0.5956 4.3571 4.3571 4.3572 4.3572 13.7466 13.7466 13.7467 13.7467 21.8988 21.8988 21.8989 21.8989 k = 0.0000 0.3173 0.1443 ( 2314 PWs) bands (ev): -89.8470 -89.8470 -89.8470 -89.8470 -89.7978 -89.7978 -89.7978 -89.7978 0.6390 0.6390 0.6390 0.6390 4.2399 4.2399 4.2399 4.2399 13.9578 13.9578 13.9578 13.9578 21.9068 21.9068 21.9069 21.9069 k = 0.0000 0.3173 0.1512 ( 2314 PWs) bands (ev): -89.8469 -89.8469 -89.8469 -89.8469 -89.7979 -89.7979 -89.7979 -89.7979 0.6845 0.6845 0.6845 0.6845 4.1229 4.1229 4.1229 4.1229 14.1726 14.1726 14.1727 14.1727 21.9142 21.9142 21.9144 21.9144 k = 0.0000 0.3173 0.1581 ( 2314 PWs) bands (ev): -89.8468 -89.8468 -89.8468 -89.8468 -89.7980 -89.7980 -89.7980 -89.7980 0.7320 0.7320 0.7320 0.7320 4.0063 4.0063 4.0063 4.0063 14.3908 14.3908 14.3908 14.3908 21.9211 21.9211 21.9212 21.9212 k = 0.0000 0.3173 0.1650 ( 2318 PWs) bands (ev): -89.8468 -89.8468 -89.8468 -89.8468 -89.7981 -89.7981 -89.7981 -89.7981 0.7817 0.7817 0.7817 0.7817 3.8904 3.8904 3.8904 3.8904 14.6119 14.6119 14.6119 14.6119 21.9271 21.9271 21.9272 21.9272 k = 0.0000 0.3173 0.1718 ( 2314 PWs) bands (ev): -89.8467 -89.8467 -89.8467 -89.8467 -89.7981 -89.7981 -89.7981 -89.7981 0.8335 0.8335 0.8335 0.8335 3.7753 3.7753 3.7753 3.7753 14.8356 14.8356 14.8356 14.8356 21.9319 21.9319 21.9321 21.9321 k = 0.0000 0.3173 0.1787 ( 2310 PWs) bands (ev): -89.8466 -89.8466 -89.8466 -89.8466 -89.7982 -89.7982 -89.7982 -89.7982 0.8874 0.8874 0.8874 0.8874 3.6610 3.6610 3.6610 3.6610 15.0614 15.0614 15.0614 15.0614 21.9354 21.9354 21.9355 21.9355 k = 0.0000 0.3173 0.1856 ( 2314 PWs) bands (ev): -89.8465 -89.8465 -89.8465 -89.8465 -89.7983 -89.7983 -89.7983 -89.7983 0.9434 0.9434 0.9434 0.9434 3.5479 3.5479 3.5479 3.5479 15.2890 15.2890 15.2890 15.2890 21.9368 21.9368 21.9370 21.9370 k = 0.0000 0.3173 0.1925 ( 2314 PWs) bands (ev): -89.8465 -89.8465 -89.8465 -89.8465 -89.7984 -89.7984 -89.7984 -89.7984 1.0015 1.0015 1.0015 1.0015 3.4359 3.4359 3.4359 3.4359 15.5179 15.5179 15.5179 15.5179 21.9357 21.9357 21.9359 21.9359 k = 0.0000 0.3173 0.1993 ( 2310 PWs) bands (ev): -89.8464 -89.8464 -89.8464 -89.8464 -89.7984 -89.7984 -89.7984 -89.7984 1.0616 1.0616 1.0616 1.0616 3.3252 3.3252 3.3252 3.3252 15.7474 15.7474 15.7475 15.7475 21.9311 21.9311 21.9312 21.9312 k = 0.0000 0.3173 0.2062 ( 2310 PWs) bands (ev): -89.8463 -89.8463 -89.8463 -89.8463 -89.7985 -89.7985 -89.7985 -89.7985 1.1239 1.1239 1.1239 1.1239 3.2159 3.2159 3.2159 3.2159 15.9770 15.9770 15.9771 15.9771 21.9213 21.9213 21.9215 21.9215 k = 0.0000 0.3173 0.2131 ( 2310 PWs) bands (ev): -89.8463 -89.8463 -89.8463 -89.8463 -89.7986 -89.7986 -89.7986 -89.7986 1.1882 1.1882 1.1882 1.1882 3.1081 3.1081 3.1081 3.1081 16.2058 16.2058 16.2059 16.2059 21.9041 21.9041 21.9042 21.9042 k = 0.0000 0.3173 0.2199 ( 2310 PWs) bands (ev): -89.8462 -89.8462 -89.8462 -89.8462 -89.7986 -89.7986 -89.7986 -89.7986 1.2545 1.2545 1.2545 1.2545 3.0017 3.0017 3.0017 3.0017 16.4329 16.4329 16.4329 16.4329 21.8756 21.8756 21.8757 21.8757 k = 0.0000 0.3173 0.2268 ( 2310 PWs) bands (ev): -89.8461 -89.8461 -89.8461 -89.8461 -89.7987 -89.7987 -89.7987 -89.7987 1.3230 1.3230 1.3230 1.3230 2.8970 2.8970 2.8970 2.8970 16.6569 16.6569 16.6569 16.6569 21.8301 21.8301 21.8302 21.8302 k = 0.0000 0.3173 0.2337 ( 2310 PWs) bands (ev): -89.8461 -89.8461 -89.8461 -89.8461 -89.7987 -89.7987 -89.7987 -89.7987 1.3934 1.3934 1.3934 1.3934 2.7939 2.7939 2.7939 2.7939 16.8762 16.8762 16.8762 16.8762 21.7607 21.7607 21.7608 21.7608 k = 0.0000 0.3173 0.2406 ( 2304 PWs) bands (ev): -89.8460 -89.8460 -89.8460 -89.8460 -89.7988 -89.7988 -89.7988 -89.7988 1.4659 1.4659 1.4659 1.4659 2.6926 2.6926 2.6926 2.6926 17.0886 17.0886 17.0887 17.0887 21.6626 21.6626 21.6627 21.6627 k = 0.0000 0.3173 0.2474 ( 2304 PWs) bands (ev): -89.8460 -89.8460 -89.8460 -89.8460 -89.7988 -89.7988 -89.7988 -89.7988 1.5404 1.5404 1.5404 1.5404 2.5930 2.5930 2.5930 2.5930 17.2913 17.2913 17.2913 17.2913 21.5388 21.5388 21.5389 21.5389 k = 0.0000 0.3173 0.2543 ( 2304 PWs) bands (ev): -89.8460 -89.8460 -89.8460 -89.8460 -89.7988 -89.7988 -89.7988 -89.7988 1.6169 1.6169 1.6169 1.6169 2.4952 2.4952 2.4952 2.4952 17.4804 17.4804 17.4804 17.4804 21.4000 21.4000 21.4001 21.4001 k = 0.0000 0.3173 0.2612 ( 2312 PWs) bands (ev): -89.8459 -89.8459 -89.8459 -89.8459 -89.7989 -89.7989 -89.7989 -89.7989 1.6953 1.6953 1.6953 1.6953 2.3994 2.3994 2.3994 2.3994 17.6508 17.6508 17.6508 17.6508 21.2604 21.2604 21.2605 21.2605 k = 0.0000 0.3173 0.2681 ( 2316 PWs) bands (ev): -89.8459 -89.8459 -89.8459 -89.8459 -89.7989 -89.7989 -89.7989 -89.7989 1.7755 1.7755 1.7755 1.7755 2.3057 2.3057 2.3057 2.3057 17.7961 17.7961 17.7961 17.7961 21.1336 21.1336 21.1336 21.1336 k = 0.0000 0.3173 0.2749 ( 2316 PWs) bands (ev): -89.8459 -89.8459 -89.8459 -89.8459 -89.7989 -89.7989 -89.7989 -89.7989 1.8571 1.8571 1.8571 1.8571 2.2143 2.2143 2.2143 2.2143 17.9085 17.9085 17.9085 17.9085 21.0318 21.0318 21.0318 21.0318 k = 0.0000 0.3173 0.2818 ( 2316 PWs) bands (ev): -89.8459 -89.8459 -89.8459 -89.8459 -89.7989 -89.7989 -89.7989 -89.7989 1.9386 1.9386 1.9386 1.9386 2.1270 2.1270 2.1270 2.1270 17.9803 17.9803 17.9803 17.9803 20.9655 20.9655 20.9655 20.9655 k = 0.0000 0.3173 0.2887 ( 2316 PWs) bands (ev): -89.8459 -89.8459 -89.8459 -89.8459 -89.7989 -89.7989 -89.7989 -89.7989 1.9973 1.9973 1.9973 1.9973 2.0663 2.0663 2.0663 2.0663 18.0050 18.0050 18.0050 18.0050 20.9425 20.9425 20.9425 20.9425 k = 0.5000-0.0000 0.2887 ( 2328 PWs) bands (ev): -89.8365 -89.8365 -89.8365 -89.8365 -89.7845 -89.7845 -89.7845 -89.7845 4.5807 4.5807 4.5807 4.5807 6.5887 6.5887 6.5888 6.5888 13.1423 13.1423 13.1424 13.1424 16.1981 16.1981 16.1982 16.1982 k = 0.5000-0.0000 0.2818 ( 2324 PWs) bands (ev): -89.8371 -89.8371 -89.8360 -89.8360 -89.7847 -89.7847 -89.7843 -89.7843 4.5459 4.5459 4.6104 4.6104 6.5816 6.5817 6.6050 6.6051 13.0815 13.0816 13.2042 13.2043 16.1162 16.1163 16.2800 16.2801 k = 0.5000-0.0000 0.2749 ( 2320 PWs) bands (ev): -89.8376 -89.8376 -89.8354 -89.8354 -89.7849 -89.7849 -89.7841 -89.7841 4.5065 4.5066 4.6346 4.6346 6.5841 6.5842 6.6298 6.6299 13.0218 13.0220 13.2671 13.2672 16.0347 16.0349 16.3612 16.3613 k = 0.5000-0.0000 0.2681 ( 2318 PWs) bands (ev): -89.8382 -89.8382 -89.8349 -89.8349 -89.7851 -89.7851 -89.7839 -89.7839 4.4633 4.4633 4.6529 4.6529 6.5964 6.5965 6.6626 6.6627 12.9634 12.9635 13.3309 13.3311 15.9541 15.9542 16.4406 16.4407 k = 0.5000-0.0000 0.2612 ( 2320 PWs) bands (ev): -89.8387 -89.8387 -89.8343 -89.8343 -89.7854 -89.7854 -89.7837 -89.7837 4.4168 4.4169 4.6653 4.6653 6.6188 6.6189 6.7028 6.7029 12.9062 12.9063 13.3955 13.3957 15.8745 15.8746 16.5163 16.5165 k = 0.5000-0.0000 0.2543 ( 2320 PWs) bands (ev): -89.8392 -89.8392 -89.8337 -89.8337 -89.7856 -89.7856 -89.7836 -89.7836 4.3678 4.3678 4.6717 4.6718 6.6511 6.6512 6.7497 6.7498 12.8503 12.8505 13.4608 13.4609 15.7962 15.7963 16.5851 16.5853 k = 0.5000-0.0000 0.2474 ( 2324 PWs) bands (ev): -89.8398 -89.8398 -89.8332 -89.8332 -89.7858 -89.7858 -89.7834 -89.7834 4.3166 4.3166 4.6725 4.6726 6.6931 6.6932 6.8027 6.8028 12.7958 12.7959 13.5265 13.5266 15.7193 15.7195 16.6407 16.6409 k = 0.5000-0.0000 0.2406 ( 2316 PWs) bands (ev): -89.8403 -89.8403 -89.8326 -89.8326 -89.7860 -89.7860 -89.7832 -89.7832 4.2640 4.2640 4.6681 4.6681 6.7443 6.7444 6.8614 6.8615 12.7426 12.7428 13.5925 13.5926 15.6441 15.6442 16.6716 16.6718 k = 0.5000-0.0000 0.2337 ( 2312 PWs) bands (ev): -89.8408 -89.8408 -89.8320 -89.8320 -89.7863 -89.7863 -89.7830 -89.7830 4.2103 4.2103 4.6589 4.6589 6.8043 6.8044 6.9251 6.9252 12.6908 12.6910 13.6585 13.6587 15.5705 15.5707 16.6616 16.6619 k = 0.5000-0.0000 0.2268 ( 2312 PWs) bands (ev): -89.8413 -89.8413 -89.8314 -89.8314 -89.7865 -89.7865 -89.7829 -89.7829 4.1560 4.1561 4.6456 4.6456 6.8723 6.8724 6.9936 6.9937 12.6403 12.6406 13.7242 13.7244 15.4989 15.4991 16.6024 16.6027 k = 0.5000-0.0000 0.2199 ( 2316 PWs) bands (ev): -89.8418 -89.8418 -89.8309 -89.8309 -89.7867 -89.7867 -89.7827 -89.7827 4.1015 4.1016 4.6287 4.6288 6.9478 6.9479 7.0664 7.0665 12.5913 12.5915 13.7893 13.7895 15.4294 15.4295 16.5035 16.5038 k = 0.5000-0.0000 0.2131 ( 2320 PWs) bands (ev): -89.8422 -89.8422 -89.8303 -89.8303 -89.7870 -89.7870 -89.7826 -89.7826 4.0471 4.0472 4.6089 4.6089 7.0302 7.0303 7.1433 7.1434 12.5436 12.5439 13.8533 13.8535 15.3622 15.3623 16.3799 16.3803 k = 0.5000-0.0000 0.2062 ( 2320 PWs) bands (ev): -89.8427 -89.8427 -89.8297 -89.8297 -89.7872 -89.7872 -89.7824 -89.7824 3.9931 3.9931 4.5867 4.5867 7.1189 7.1190 7.2238 7.2239 12.4973 12.4976 13.9155 13.9157 15.2976 15.2978 16.2418 16.2421 k = 0.5000-0.0000 0.1993 ( 2320 PWs) bands (ev): -89.8432 -89.8432 -89.8292 -89.8292 -89.7875 -89.7875 -89.7823 -89.7823 3.9396 3.9397 4.5626 4.5626 7.2133 7.2134 7.3079 7.3080 12.4524 12.4526 13.9752 13.9754 15.2361 15.2363 16.0945 16.0948 k = 0.5000-0.0000 0.1925 ( 2320 PWs) bands (ev): -89.8436 -89.8436 -89.8286 -89.8286 -89.7877 -89.7877 -89.7821 -89.7821 3.8870 3.8870 4.5371 4.5371 7.3130 7.3131 7.3952 7.3953 12.4087 12.4090 14.0313 14.0317 15.1783 15.1785 15.9411 15.9415 k = 0.5000-0.0000 0.1856 ( 2320 PWs) bands (ev): -89.8441 -89.8441 -89.8281 -89.8281 -89.7880 -89.7880 -89.7820 -89.7820 3.8354 3.8354 4.5105 4.5105 7.4176 7.4177 7.4856 7.4857 12.3664 12.3667 14.0827 14.0830 15.1250 15.1253 15.7835 15.7839 k = 0.5000-0.0000 0.1787 ( 2312 PWs) bands (ev): -89.8445 -89.8445 -89.8275 -89.8275 -89.7882 -89.7882 -89.7819 -89.7819 3.7848 3.7849 4.4833 4.4833 7.5266 7.5267 7.5790 7.5791 12.3253 12.3256 14.1274 14.1278 15.0773 15.0776 15.6229 15.6233 k = 0.5000-0.0000 0.1718 ( 2316 PWs) bands (ev): -89.8449 -89.8449 -89.8270 -89.8270 -89.7885 -89.7885 -89.7817 -89.7817 3.7356 3.7356 4.4557 4.4558 7.6397 7.6398 7.6751 7.6753 12.2854 12.2857 14.1635 14.1640 15.0367 15.0371 15.4600 15.4604 k = 0.5000-0.0000 0.1650 ( 2312 PWs) bands (ev): -89.8453 -89.8453 -89.8265 -89.8265 -89.7887 -89.7887 -89.7816 -89.7816 3.6877 3.6877 4.4281 4.4281 7.7566 7.7567 7.7739 7.7741 12.2466 12.2470 14.1886 14.1891 15.0048 15.0052 15.2957 15.2961 k = 0.5000-0.0000 0.1581 ( 2316 PWs) bands (ev): -89.8457 -89.8457 -89.8259 -89.8259 -89.7890 -89.7890 -89.7815 -89.7815 3.6414 3.6414 4.4006 4.4006 7.8752 7.8754 7.8770 7.8771 12.2088 12.2092 14.2001 14.2007 14.9830 14.9834 15.1304 15.1309 k = 0.5000-0.0000 0.1512 ( 2316 PWs) bands (ev): -89.8460 -89.8460 -89.8254 -89.8254 -89.7892 -89.7892 -89.7814 -89.7814 3.5965 3.5966 4.3734 4.3734 7.9790 7.9791 8.0007 8.0008 12.1721 12.1725 14.1963 14.1970 14.9647 14.9652 14.9720 14.9725 k = 0.5000-0.0000 0.1443 ( 2320 PWs) bands (ev): -89.8464 -89.8464 -89.8249 -89.8249 -89.7895 -89.7895 -89.7813 -89.7813 3.5534 3.5534 4.3466 4.3467 8.0851 8.0852 8.1274 8.1275 12.1361 12.1366 14.1767 14.1773 14.7991 14.7996 14.9714 14.9719 k = 0.5000-0.0000 0.1375 ( 2320 PWs) bands (ev): -89.8467 -89.8467 -89.8244 -89.8244 -89.7897 -89.7897 -89.7812 -89.7812 3.5119 3.5119 4.3206 4.3206 8.1933 8.1935 8.2570 8.2571 12.1009 12.1014 14.1416 14.1422 14.6340 14.6345 14.9790 14.9795 k = 0.5000-0.0000 0.1306 ( 2316 PWs) bands (ev): -89.8471 -89.8471 -89.8239 -89.8239 -89.7900 -89.7900 -89.7811 -89.7811 3.4722 3.4722 4.2953 4.2953 8.3037 8.3039 8.3893 8.3894 12.0662 12.0668 14.0924 14.0931 14.4698 14.4704 14.9921 14.9925 k = 0.5000-0.0000 0.1237 ( 2312 PWs) bands (ev): -89.8474 -89.8474 -89.8235 -89.8235 -89.7902 -89.7902 -89.7810 -89.7810 3.4343 3.4343 4.2708 4.2708 8.4161 8.4163 8.5240 8.5241 12.0319 12.0324 14.0307 14.0314 14.3072 14.3077 15.0073 15.0077 k = 0.5000-0.0000 0.1168 ( 2308 PWs) bands (ev): -89.8477 -89.8477 -89.8230 -89.8230 -89.7905 -89.7905 -89.7809 -89.7809 3.3983 3.3983 4.2473 4.2473 8.5304 8.5306 8.6609 8.6610 11.9976 11.9982 13.9578 13.9585 14.1464 14.1470 15.0217 15.0221 k = 0.5000-0.0000 0.1100 ( 2306 PWs) bands (ev): -89.8480 -89.8480 -89.8226 -89.8226 -89.7907 -89.7907 -89.7808 -89.7808 3.3642 3.3642 4.2249 4.2249 8.6465 8.6466 8.7999 8.8000 11.9631 11.9638 13.8748 13.8754 13.9882 13.9888 15.0327 15.0330 k = 0.5000-0.0000 0.1031 ( 2302 PWs) bands (ev): -89.8482 -89.8482 -89.8222 -89.8222 -89.7909 -89.7909 -89.7808 -89.7808 3.3320 3.3320 4.2035 4.2036 8.7642 8.7644 8.9407 8.9408 11.9280 11.9287 13.7824 13.7830 13.8331 13.8337 15.0384 15.0387 k = 0.5000-0.0000 0.0962 ( 2300 PWs) bands (ev): -89.8485 -89.8485 -89.8218 -89.8218 -89.7911 -89.7911 -89.7807 -89.7807 3.3017 3.3017 4.1834 4.1834 8.8835 8.8837 9.0831 9.0832 11.8918 11.8926 13.6812 13.6815 13.6822 13.6825 15.0377 15.0381 k = 0.5000-0.0000 0.0894 ( 2306 PWs) bands (ev): -89.8487 -89.8487 -89.8214 -89.8214 -89.7913 -89.7913 -89.7806 -89.7806 3.2735 3.2735 4.1644 4.1644 9.0041 9.0043 9.2268 9.2270 11.8540 11.8548 13.5351 13.5358 13.5724 13.5729 15.0305 15.0308 k = 0.5000-0.0000 0.0825 ( 2306 PWs) bands (ev): -89.8489 -89.8489 -89.8210 -89.8210 -89.7915 -89.7915 -89.7806 -89.7806 3.2472 3.2472 4.1467 4.1467 9.1258 9.1260 9.3716 9.3717 11.8139 11.8147 13.3941 13.3948 13.4562 13.4568 15.0174 15.0177 k = 0.5000-0.0000 0.0756 ( 2310 PWs) bands (ev): -89.8491 -89.8491 -89.8207 -89.8207 -89.7917 -89.7917 -89.7805 -89.7805 3.2230 3.2230 4.1303 4.1303 9.2485 9.2487 9.5169 9.5170 11.7706 11.7715 13.2598 13.2606 13.3339 13.3344 14.9996 14.9999 k = 0.5000-0.0000 0.0687 ( 2316 PWs) bands (ev): -89.8493 -89.8493 -89.8204 -89.8204 -89.7919 -89.7919 -89.7805 -89.7805 3.2009 3.2009 4.1152 4.1152 9.3718 9.3720 9.6624 9.6625 11.7234 11.7243 13.1335 13.1343 13.2065 13.2070 14.9787 14.9790 k = 0.5000-0.0000 0.0619 ( 2316 PWs) bands (ev): -89.8495 -89.8495 -89.8201 -89.8201 -89.7921 -89.7921 -89.7804 -89.7804 3.1808 3.1808 4.1015 4.1015 9.4953 9.4955 9.8073 9.8074 11.6712 11.6722 13.0165 13.0172 13.0753 13.0758 14.9564 14.9566 k = 0.5000-0.0000 0.0550 ( 2316 PWs) bands (ev): -89.8496 -89.8496 -89.8199 -89.8199 -89.7922 -89.7922 -89.7804 -89.7804 3.1628 3.1628 4.0892 4.0892 9.6185 9.6188 9.9509 9.9511 11.6134 11.6144 12.9102 12.9109 12.9419 12.9423 14.9339 14.9341 k = 0.5000-0.0000 0.0481 ( 2320 PWs) bands (ev): -89.8498 -89.8498 -89.8196 -89.8196 -89.7924 -89.7924 -89.7804 -89.7804 3.1469 3.1469 4.0783 4.0783 9.7407 9.7410 10.0921 10.0922 11.5495 11.5504 12.8080 12.8083 12.8157 12.8164 14.9123 14.9125 k = 0.5000-0.0000 0.0412 ( 2324 PWs) bands (ev): -89.8499 -89.8499 -89.8194 -89.8194 -89.7925 -89.7925 -89.7803 -89.7803 3.1331 3.1331 4.0688 4.0688 9.8609 9.8612 10.2292 10.2293 11.4795 11.4804 12.6759 12.6762 12.7340 12.7346 14.8926 14.8927 k = 0.5000-0.0000 0.0344 ( 2324 PWs) bands (ev): -89.8500 -89.8500 -89.8192 -89.8192 -89.7926 -89.7926 -89.7803 -89.7803 3.1214 3.1214 4.0607 4.0607 9.9776 9.9779 10.3599 10.3601 11.4046 11.4055 12.5484 12.5487 12.6657 12.6662 14.8753 14.8754 k = 0.5000-0.0000 0.0275 ( 2324 PWs) bands (ev): -89.8501 -89.8501 -89.8191 -89.8191 -89.7927 -89.7927 -89.7803 -89.7803 3.1118 3.1118 4.0541 4.0541 10.0883 10.0887 10.4810 10.4811 11.3271 11.3279 12.4294 12.4296 12.6107 12.6111 14.8607 14.8608 k = 0.5000-0.0000 0.0206 ( 2324 PWs) bands (ev): -89.8501 -89.8501 -89.8190 -89.8190 -89.7927 -89.7927 -89.7803 -89.7803 3.1043 3.1043 4.0490 4.0490 10.1893 10.1896 10.5876 10.5877 11.2512 11.2519 12.3240 12.3241 12.5687 12.5691 14.8491 14.8492 k = 0.5000-0.0000 0.0137 ( 2332 PWs) bands (ev): -89.8502 -89.8502 -89.8189 -89.8189 -89.7928 -89.7928 -89.7802 -89.7802 3.0990 3.0990 4.0453 4.0453 10.2740 10.2743 10.6731 10.6732 11.1839 11.1843 12.2391 12.2392 12.5393 12.5396 14.8408 14.8409 k = 0.5000-0.0000 0.0069 ( 2336 PWs) bands (ev): -89.8502 -89.8502 -89.8189 -89.8189 -89.7928 -89.7928 -89.7802 -89.7802 3.0958 3.0958 4.0431 4.0431 10.3328 10.3330 10.7295 10.7295 11.1353 11.1356 12.1831 12.1832 12.5220 12.5221 14.8358 14.8358 k = 0.5000-0.0000-0.0000 ( 2336 PWs) bands (ev): -89.8502 -89.8502 -89.8188 -89.8188 -89.7928 -89.7928 -89.7802 -89.7802 3.0947 3.0947 4.0423 4.0423 10.3544 10.3544 10.7493 10.7493 11.1173 11.1173 12.1634 12.1634 12.5163 12.5163 14.8341 14.8341 k = 0.5000 0.3173-0.0000 ( 2312 PWs) bands (ev): -89.8345 -89.8345 -89.8345 -89.8345 -89.7866 -89.7866 -89.7866 -89.7866 4.7437 4.7437 4.7438 4.7438 6.9139 6.9139 6.9141 6.9141 12.4253 12.4253 12.4254 12.4254 15.4534 15.4534 15.4536 15.4536 k = 0.5000 0.3173 0.0069 ( 2320 PWs) bands (ev): -89.8345 -89.8345 -89.8345 -89.8345 -89.7866 -89.7866 -89.7866 -89.7866 4.7445 4.7445 4.7445 4.7445 6.9136 6.9136 6.9138 6.9138 12.4235 12.4235 12.4235 12.4235 15.4242 15.4242 15.4244 15.4244 k = 0.5000 0.3173 0.0137 ( 2320 PWs) bands (ev): -89.8345 -89.8345 -89.8345 -89.8345 -89.7866 -89.7866 -89.7866 -89.7866 4.7468 4.7468 4.7469 4.7469 6.9128 6.9128 6.9129 6.9129 12.4178 12.4178 12.4178 12.4178 15.3460 15.3460 15.3462 15.3462 k = 0.5000 0.3173 0.0206 ( 2320 PWs) bands (ev): -89.8345 -89.8345 -89.8345 -89.8345 -89.7866 -89.7866 -89.7866 -89.7866 4.7507 4.7507 4.7507 4.7507 6.9113 6.9113 6.9115 6.9115 12.4085 12.4085 12.4085 12.4085 15.2364 15.2364 15.2367 15.2367 k = 0.5000 0.3173 0.0275 ( 2308 PWs) bands (ev): -89.8344 -89.8344 -89.8344 -89.8344 -89.7866 -89.7866 -89.7866 -89.7866 4.7561 4.7561 4.7561 4.7561 6.9093 6.9093 6.9095 6.9095 12.3956 12.3956 12.3956 12.3956 15.1095 15.1095 15.1098 15.1098 k = 0.5000 0.3173 0.0344 ( 2308 PWs) bands (ev): -89.8344 -89.8344 -89.8344 -89.8344 -89.7866 -89.7866 -89.7866 -89.7866 4.7630 4.7630 4.7630 4.7630 6.9067 6.9067 6.9068 6.9068 12.3792 12.3792 12.3792 12.3792 14.9734 14.9734 14.9737 14.9737 k = 0.5000 0.3173 0.0412 ( 2316 PWs) bands (ev): -89.8344 -89.8344 -89.8344 -89.8344 -89.7866 -89.7866 -89.7866 -89.7866 4.7714 4.7714 4.7715 4.7715 6.9035 6.9035 6.9036 6.9036 12.3596 12.3596 12.3596 12.3596 14.8328 14.8328 14.8330 14.8330 k = 0.5000 0.3173 0.0481 ( 2316 PWs) bands (ev): -89.8344 -89.8344 -89.8344 -89.8344 -89.7866 -89.7866 -89.7866 -89.7866 4.7814 4.7814 4.7814 4.7814 6.8996 6.8996 6.8998 6.8998 12.3369 12.3369 12.3369 12.3369 14.6902 14.6902 14.6905 14.6905 k = 0.5000 0.3173 0.0550 ( 2320 PWs) bands (ev): -89.8344 -89.8344 -89.8344 -89.8344 -89.7866 -89.7866 -89.7866 -89.7866 4.7928 4.7928 4.7928 4.7928 6.8952 6.8952 6.8953 6.8953 12.3114 12.3114 12.3114 12.3114 14.5474 14.5474 14.5477 14.5477 k = 0.5000 0.3173 0.0619 ( 2320 PWs) bands (ev): -89.8344 -89.8344 -89.8344 -89.8344 -89.7867 -89.7867 -89.7867 -89.7867 4.8057 4.8057 4.8057 4.8057 6.8901 6.8901 6.8902 6.8902 12.2833 12.2833 12.2833 12.2833 14.4054 14.4054 14.4056 14.4056 k = 0.5000 0.3173 0.0687 ( 2320 PWs) bands (ev): -89.8343 -89.8343 -89.8343 -89.8343 -89.7867 -89.7867 -89.7867 -89.7867 4.8200 4.8200 4.8200 4.8200 6.8843 6.8843 6.8844 6.8844 12.2528 12.2528 12.2529 12.2529 14.2648 14.2648 14.2651 14.2651 k = 0.5000 0.3173 0.0756 ( 2316 PWs) bands (ev): -89.8343 -89.8343 -89.8343 -89.8343 -89.7867 -89.7867 -89.7867 -89.7867 4.8357 4.8357 4.8357 4.8357 6.8778 6.8778 6.8780 6.8780 12.2204 12.2204 12.2205 12.2205 14.1262 14.1262 14.1264 14.1264 k = 0.5000 0.3173 0.0825 ( 2308 PWs) bands (ev): -89.8343 -89.8343 -89.8343 -89.8343 -89.7867 -89.7867 -89.7867 -89.7867 4.8528 4.8528 4.8528 4.8528 6.8707 6.8707 6.8708 6.8708 12.1862 12.1862 12.1863 12.1863 13.9899 13.9899 13.9901 13.9901 k = 0.5000 0.3173 0.0894 ( 2308 PWs) bands (ev): -89.8343 -89.8343 -89.8343 -89.8343 -89.7868 -89.7868 -89.7868 -89.7868 4.8712 4.8712 4.8713 4.8713 6.8628 6.8628 6.8629 6.8629 12.1506 12.1506 12.1507 12.1507 13.8562 13.8562 13.8565 13.8565 k = 0.5000 0.3173 0.0962 ( 2312 PWs) bands (ev): -89.8342 -89.8342 -89.8342 -89.8342 -89.7868 -89.7868 -89.7868 -89.7868 4.8910 4.8910 4.8910 4.8910 6.8542 6.8542 6.8543 6.8543 12.1138 12.1138 12.1139 12.1139 13.7254 13.7254 13.7256 13.7256 k = 0.5000 0.3173 0.1031 ( 2308 PWs) bands (ev): -89.8342 -89.8342 -89.8342 -89.8342 -89.7868 -89.7868 -89.7868 -89.7868 4.9120 4.9120 4.9121 4.9121 6.8448 6.8448 6.8449 6.8449 12.0761 12.0761 12.0762 12.0762 13.5975 13.5975 13.5978 13.5978 k = 0.5000 0.3173 0.1100 ( 2308 PWs) bands (ev): -89.8342 -89.8342 -89.8342 -89.8342 -89.7868 -89.7868 -89.7868 -89.7868 4.9342 4.9342 4.9343 4.9343 6.8346 6.8346 6.8347 6.8347 12.0379 12.0379 12.0379 12.0379 13.4729 13.4729 13.4732 13.4732 k = 0.5000 0.3173 0.1168 ( 2304 PWs) bands (ev): -89.8342 -89.8342 -89.8342 -89.8342 -89.7869 -89.7869 -89.7869 -89.7869 4.9576 4.9576 4.9577 4.9577 6.8236 6.8236 6.8238 6.8238 11.9993 11.9993 11.9994 11.9994 13.3516 13.3516 13.3519 13.3519 k = 0.5000 0.3173 0.1237 ( 2308 PWs) bands (ev): -89.8341 -89.8341 -89.8341 -89.8341 -89.7869 -89.7869 -89.7869 -89.7869 4.9822 4.9822 4.9822 4.9822 6.8119 6.8119 6.8120 6.8120 11.9607 11.9607 11.9608 11.9608 13.2338 13.2338 13.2340 13.2340 k = 0.5000 0.3173 0.1306 ( 2312 PWs) bands (ev): -89.8341 -89.8341 -89.8341 -89.8341 -89.7869 -89.7869 -89.7869 -89.7869 5.0077 5.0077 5.0077 5.0077 6.7993 6.7993 6.7994 6.7994 11.9223 11.9223 11.9224 11.9224 13.1195 13.1195 13.1198 13.1198 k = 0.5000 0.3173 0.1375 ( 2312 PWs) bands (ev): -89.8341 -89.8341 -89.8341 -89.8341 -89.7870 -89.7870 -89.7870 -89.7870 5.0342 5.0342 5.0343 5.0343 6.7859 6.7859 6.7860 6.7860 11.8844 11.8844 11.8845 11.8845 13.0089 13.0089 13.0091 13.0091 k = 0.5000 0.3173 0.1443 ( 2312 PWs) bands (ev): -89.8340 -89.8340 -89.8340 -89.8340 -89.7870 -89.7870 -89.7870 -89.7870 5.0616 5.0616 5.0617 5.0617 6.7716 6.7716 6.7717 6.7717 11.8472 11.8472 11.8473 11.8473 12.9020 12.9020 12.9022 12.9022 k = 0.5000 0.3173 0.1512 ( 2320 PWs) bands (ev): -89.8340 -89.8340 -89.8340 -89.8340 -89.7870 -89.7870 -89.7870 -89.7870 5.0899 5.0899 5.0899 5.0899 6.7566 6.7566 6.7567 6.7567 11.8110 11.8110 11.8111 11.8111 12.7989 12.7989 12.7991 12.7991 k = 0.5000 0.3173 0.1581 ( 2316 PWs) bands (ev): -89.8340 -89.8340 -89.8340 -89.8340 -89.7871 -89.7871 -89.7871 -89.7871 5.1188 5.1188 5.1189 5.1189 6.7407 6.7407 6.7408 6.7408 11.7760 11.7760 11.7760 11.7760 12.6997 12.6997 12.6999 12.6999 k = 0.5000 0.3173 0.1650 ( 2316 PWs) bands (ev): -89.8339 -89.8339 -89.8339 -89.8339 -89.7871 -89.7871 -89.7871 -89.7871 5.1484 5.1484 5.1484 5.1484 6.7241 6.7241 6.7242 6.7242 11.7423 11.7423 11.7424 11.7424 12.6044 12.6044 12.6047 12.6047 k = 0.5000 0.3173 0.1718 ( 2316 PWs) bands (ev): -89.8339 -89.8339 -89.8339 -89.8339 -89.7871 -89.7871 -89.7871 -89.7871 5.1784 5.1784 5.1785 5.1785 6.7068 6.7068 6.7069 6.7069 11.7103 11.7103 11.7103 11.7103 12.5131 12.5131 12.5134 12.5134 k = 0.5000 0.3173 0.1787 ( 2316 PWs) bands (ev): -89.8339 -89.8339 -89.8339 -89.8339 -89.7872 -89.7872 -89.7872 -89.7872 5.2088 5.2088 5.2089 5.2089 6.6888 6.6888 6.6889 6.6889 11.6800 11.6800 11.6801 11.6801 12.4259 12.4259 12.4261 12.4261 k = 0.5000 0.3173 0.1856 ( 2320 PWs) bands (ev): -89.8338 -89.8338 -89.8338 -89.8338 -89.7872 -89.7872 -89.7872 -89.7872 5.2395 5.2395 5.2395 5.2395 6.6702 6.6702 6.6703 6.6703 11.6517 11.6517 11.6518 11.6518 12.3427 12.3427 12.3430 12.3430 k = 0.5000 0.3173 0.1925 ( 2320 PWs) bands (ev): -89.8338 -89.8338 -89.8338 -89.8338 -89.7872 -89.7872 -89.7872 -89.7872 5.2702 5.2702 5.2702 5.2702 6.6511 6.6511 6.6511 6.6511 11.6256 11.6256 11.6257 11.6257 12.2637 12.2637 12.2639 12.2639 k = 0.5000 0.3173 0.1993 ( 2320 PWs) bands (ev): -89.8338 -89.8338 -89.8338 -89.8338 -89.7872 -89.7872 -89.7872 -89.7872 5.3007 5.3007 5.3008 5.3008 6.6316 6.6316 6.6316 6.6316 11.6018 11.6018 11.6019 11.6019 12.1887 12.1887 12.1890 12.1890 k = 0.5000 0.3173 0.2062 ( 2312 PWs) bands (ev): -89.8338 -89.8338 -89.8338 -89.8338 -89.7873 -89.7873 -89.7873 -89.7873 5.3310 5.3310 5.3310 5.3310 6.6118 6.6118 6.6119 6.6119 11.5805 11.5805 11.5805 11.5805 12.1180 12.1180 12.1182 12.1182 k = 0.5000 0.3173 0.2131 ( 2308 PWs) bands (ev): -89.8337 -89.8337 -89.8337 -89.8337 -89.7873 -89.7873 -89.7873 -89.7873 5.3607 5.3607 5.3607 5.3607 6.5920 6.5920 6.5920 6.5920 11.5618 11.5618 11.5618 11.5618 12.0514 12.0514 12.0516 12.0516 k = 0.5000 0.3173 0.2199 ( 2308 PWs) bands (ev): -89.8337 -89.8337 -89.8337 -89.8337 -89.7873 -89.7873 -89.7873 -89.7873 5.3896 5.3896 5.3896 5.3896 6.5722 6.5722 6.5723 6.5723 11.5458 11.5458 11.5458 11.5458 11.9891 11.9891 11.9893 11.9893 k = 0.5000 0.3173 0.2268 ( 2308 PWs) bands (ev): -89.8337 -89.8337 -89.8337 -89.8337 -89.7873 -89.7873 -89.7873 -89.7873 5.4174 5.4174 5.4175 5.4175 6.5529 6.5529 6.5529 6.5529 11.5326 11.5326 11.5327 11.5327 11.9310 11.9310 11.9312 11.9312 k = 0.5000 0.3173 0.2337 ( 2308 PWs) bands (ev): -89.8337 -89.8337 -89.8337 -89.8337 -89.7874 -89.7874 -89.7874 -89.7874 5.4438 5.4438 5.4439 5.4439 6.5341 6.5341 6.5342 6.5342 11.5224 11.5224 11.5224 11.5224 11.8771 11.8771 11.8773 11.8773 k = 0.5000 0.3173 0.2406 ( 2308 PWs) bands (ev): -89.8337 -89.8337 -89.8337 -89.8337 -89.7874 -89.7874 -89.7874 -89.7874 5.4685 5.4685 5.4685 5.4685 6.5163 6.5163 6.5164 6.5164 11.5151 11.5151 11.5152 11.5152 11.8276 11.8276 11.8278 11.8278 k = 0.5000 0.3173 0.2474 ( 2308 PWs) bands (ev): -89.8336 -89.8336 -89.8336 -89.8336 -89.7874 -89.7874 -89.7874 -89.7874 5.4910 5.4910 5.4911 5.4911 6.4998 6.4998 6.4999 6.4999 11.5109 11.5109 11.5109 11.5109 11.7825 11.7825 11.7826 11.7826 k = 0.5000 0.3173 0.2543 ( 2304 PWs) bands (ev): -89.8336 -89.8336 -89.8336 -89.8336 -89.7874 -89.7874 -89.7874 -89.7874 5.5111 5.5111 5.5111 5.5111 6.4849 6.4849 6.4850 6.4850 11.5095 11.5095 11.5096 11.5096 11.7419 11.7419 11.7421 11.7421 k = 0.5000 0.3173 0.2612 ( 2300 PWs) bands (ev): -89.8336 -89.8336 -89.8336 -89.8336 -89.7874 -89.7874 -89.7874 -89.7874 5.5282 5.5282 5.5282 5.5282 6.4721 6.4721 6.4721 6.4721 11.5109 11.5109 11.5110 11.5110 11.7061 11.7061 11.7063 11.7063 k = 0.5000 0.3173 0.2681 ( 2300 PWs) bands (ev): -89.8336 -89.8336 -89.8336 -89.8336 -89.7874 -89.7874 -89.7874 -89.7874 5.5420 5.5420 5.5420 5.5420 6.4616 6.4616 6.4616 6.4616 11.5147 11.5147 11.5147 11.5147 11.6756 11.6756 11.6757 11.6757 k = 0.5000 0.3173 0.2749 ( 2300 PWs) bands (ev): -89.8336 -89.8336 -89.8336 -89.8336 -89.7874 -89.7874 -89.7874 -89.7874 5.5521 5.5521 5.5521 5.5521 6.4538 6.4538 6.4538 6.4538 11.5199 11.5199 11.5199 11.5199 11.6513 11.6513 11.6513 11.6513 k = 0.5000 0.3173 0.2818 ( 2292 PWs) bands (ev): -89.8336 -89.8336 -89.8336 -89.8336 -89.7874 -89.7874 -89.7874 -89.7874 5.5583 5.5583 5.5584 5.5584 6.4490 6.4490 6.4490 6.4490 11.5248 11.5248 11.5248 11.5248 11.6349 11.6349 11.6349 11.6349 k = 0.5000 0.3173 0.2887 ( 2296 PWs) bands (ev): -89.8336 -89.8336 -89.8336 -89.8336 -89.7874 -89.7874 -89.7874 -89.7874 5.5604 5.5604 5.5604 5.5604 6.4474 6.4474 6.4474 6.4474 11.5269 11.5269 11.5269 11.5269 11.6290 11.6290 11.6290 11.6290 Writing output data file Be.save init_run : 0.44s CPU 0.28s WALL ( 1 calls) electrons : 251.86s CPU 133.87s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.02s WALL ( 1 calls) potinit : 0.28s CPU 0.17s WALL ( 1 calls) Called by electrons: c_bands : 251.84s CPU 133.85s WALL ( 1 calls) v_of_rho : 0.11s CPU 0.05s WALL ( 1 calls) v_h : 0.08s CPU 0.04s WALL ( 1 calls) v_xc : 0.03s CPU 0.01s WALL ( 1 calls) newd : 0.02s CPU 0.01s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.14s CPU 0.10s WALL ( 656 calls) cegterg : 221.51s CPU 116.43s WALL ( 699 calls) Called by sum_band: Called by *egterg: h_psi : 139.98s CPU 74.96s WALL ( 10773 calls) s_psi : 2.66s CPU 1.35s WALL ( 10773 calls) g_psi : 0.25s CPU 0.12s WALL ( 9418 calls) cdiaghg : 88.80s CPU 45.53s WALL ( 10074 calls) cegterg:over : 5.47s CPU 3.03s WALL ( 9418 calls) cegterg:upda : 4.79s CPU 2.36s WALL ( 9418 calls) cegterg:last : 2.52s CPU 1.35s WALL ( 2103 calls) cdiaghg:chol : 4.32s CPU 2.24s WALL ( 10074 calls) cdiaghg:inve : 1.23s CPU 0.62s WALL ( 10074 calls) cdiaghg:para : 5.51s CPU 2.77s WALL ( 20148 calls) Called by h_psi: h_psi:vloc : 132.40s CPU 71.00s WALL ( 10773 calls) h_psi:vnl : 7.41s CPU 3.88s WALL ( 10773 calls) add_vuspsi : 3.41s CPU 1.77s WALL ( 10773 calls) General routines calbec : 3.89s CPU 2.07s WALL ( 10773 calls) fft : 0.03s CPU 0.02s WALL ( 18 calls) ffts : 0.06s CPU 0.03s WALL ( 4 calls) fftw : 124.90s CPU 67.02s WALL ( 671620 calls) interpolate : 0.06s CPU 0.03s WALL ( 4 calls) davcio : 0.80s CPU 0.66s WALL ( 1312 calls) Parallel routines fft_scatter : 56.76s CPU 30.12s WALL ( 671642 calls) PWSCF : 4m24.80s CPU 2m48.85s WALL This run was terminated on: 23:22:15 10Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=