Program PWSCF v.5.1.1 starts on 21Jul2015 at 5:21:31 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./FeSe.save/ file Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 19 15 4 661 443 72 Max 20 16 5 668 460 79 Sum 949 737 221 31959 21613 3637 bravais-lattice index = 14 lattice parameter (alat) = 7.0659 a.u. unit-cell volume = 513.9890 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 238.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.065896 celldm(2)= 1.000000 celldm(3)= 1.456977 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.001740 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.001740 0.999998 0.000000 ) a(3) = ( 0.000000 0.000000 1.456977 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.001740 -0.000000 ) b(2) = ( 0.000000 1.000002 -0.000000 ) b(3) = ( 0.000000 0.000000 0.686353 ) PseudoPot. # 1 for Fe read from file: /home/autes/Pseudo/Fe.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1f786298b0c3f78d6037ec413201e537 Pseudo is Ultrasoft + core correction, Zval = 8.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1191 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /home/autes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 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 Fe 8.00 55.84500 Fe( 1.00) Se 6.00 78.96000 Se( 1.00) 4 Sym. Ops., with 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 =( -0.5000000 ) ( 0 -1 0 ) ( 0.5000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5008699 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.4999992 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( 0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5008699 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.4999992 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 s_h -s_h i -i G_3+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_4+ 1.00 -1.00 0.00 0.00 0.00 0.00 1.00 -1.00 G_3- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 G_4- 1.00 -1.00 0.00 0.00 0.00 0.00 -1.00 1.00 imaginary part E -E C2 -C2 s_h -s_h i -i G_3+ 0.00 0.00 1.00 -1.00 1.00 -1.00 0.00 0.00 G_4+ 0.00 0.00 -1.00 1.00 -1.00 1.00 0.00 0.00 G_3- 0.00 0.00 1.00 -1.00 -1.00 1.00 0.00 0.00 G_4- 0.00 0.00 -1.00 1.00 1.00 -1.00 0.00 0.00 the symmetry operations in each class: E 1 C2 2 i 3 s_h 4 -E -1 -C2 -2 -i -3 -s_h -4 Cartesian axes number of k points= 454 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022026 k( 2) = ( 0.0083189 0.0083333 -0.0000000), wk = 0.0022026 k( 3) = ( 0.0166377 0.0166667 -0.0000000), wk = 0.0022026 k( 4) = ( 0.0249566 0.0250000 -0.0000000), wk = 0.0022026 k( 5) = ( 0.0332754 0.0333334 -0.0000000), wk = 0.0022026 k( 6) = ( 0.0415943 0.0416667 -0.0000000), wk = 0.0022026 k( 7) = ( 0.0499132 0.0500001 -0.0000000), wk = 0.0022026 k( 8) = ( 0.0582320 0.0583334 -0.0000000), wk = 0.0022026 k( 9) = ( 0.0665509 0.0666668 -0.0000000), wk = 0.0022026 k( 10) = ( 0.0748697 0.0750001 -0.0000000), wk = 0.0022026 k( 11) = ( 0.0831886 0.0833335 -0.0000000), wk = 0.0022026 k( 12) = ( 0.0915075 0.0916668 -0.0000000), wk = 0.0022026 k( 13) = ( 0.0998263 0.1000002 -0.0000000), wk = 0.0022026 k( 14) = ( 0.1081452 0.1083335 -0.0000000), wk = 0.0022026 k( 15) = ( 0.1164640 0.1166668 -0.0000000), wk = 0.0022026 k( 16) = ( 0.1247829 0.1250002 -0.0000000), wk = 0.0022026 k( 17) = ( 0.1331018 0.1333335 -0.0000000), wk = 0.0022026 k( 18) = ( 0.1414206 0.1416669 -0.0000000), wk = 0.0022026 k( 19) = ( 0.1497395 0.1500002 -0.0000000), wk = 0.0022026 k( 20) = ( 0.1580583 0.1583336 -0.0000000), wk = 0.0022026 k( 21) = ( 0.1663772 0.1666669 -0.0000000), wk = 0.0022026 k( 22) = ( 0.1746961 0.1750003 -0.0000000), wk = 0.0022026 k( 23) = ( 0.1830149 0.1833336 -0.0000000), wk = 0.0022026 k( 24) = ( 0.1913338 0.1916670 -0.0000000), wk = 0.0022026 k( 25) = ( 0.1996526 0.2000003 -0.0000000), wk = 0.0022026 k( 26) = ( 0.2079715 0.2083336 -0.0000000), wk = 0.0022026 k( 27) = ( 0.2162904 0.2166670 -0.0000000), wk = 0.0022026 k( 28) = ( 0.2246092 0.2250003 -0.0000000), wk = 0.0022026 k( 29) = ( 0.2329281 0.2333337 -0.0000000), wk = 0.0022026 k( 30) = ( 0.2412469 0.2416670 -0.0000000), wk = 0.0022026 k( 31) = ( 0.2495658 0.2500004 -0.0000000), wk = 0.0022026 k( 32) = ( 0.2578847 0.2583337 -0.0000000), wk = 0.0022026 k( 33) = ( 0.2662035 0.2666671 -0.0000000), wk = 0.0022026 k( 34) = ( 0.2745224 0.2750004 -0.0000000), wk = 0.0022026 k( 35) = ( 0.2828412 0.2833338 -0.0000000), wk = 0.0022026 k( 36) = ( 0.2911601 0.2916671 -0.0000000), wk = 0.0022026 k( 37) = ( 0.2994790 0.3000005 -0.0000000), wk = 0.0022026 k( 38) = ( 0.3077978 0.3083338 -0.0000000), wk = 0.0022026 k( 39) = ( 0.3161167 0.3166671 -0.0000000), wk = 0.0022026 k( 40) = ( 0.3244355 0.3250005 -0.0000000), wk = 0.0022026 k( 41) = ( 0.3327544 0.3333338 -0.0000000), wk = 0.0022026 k( 42) = ( 0.3410733 0.3416672 -0.0000000), wk = 0.0022026 k( 43) = ( 0.3493921 0.3500005 -0.0000000), wk = 0.0022026 k( 44) = ( 0.3577110 0.3583339 -0.0000000), wk = 0.0022026 k( 45) = ( 0.3660298 0.3666672 -0.0000000), wk = 0.0022026 k( 46) = ( 0.3743487 0.3750006 -0.0000000), wk = 0.0022026 k( 47) = ( 0.3826676 0.3833339 -0.0000000), wk = 0.0022026 k( 48) = ( 0.3909864 0.3916673 -0.0000000), wk = 0.0022026 k( 49) = ( 0.3993053 0.4000006 -0.0000000), wk = 0.0022026 k( 50) = ( 0.4076241 0.4083340 -0.0000000), wk = 0.0022026 k( 51) = ( 0.4159430 0.4166673 -0.0000000), wk = 0.0022026 k( 52) = ( 0.4242619 0.4250006 -0.0000000), wk = 0.0022026 k( 53) = ( 0.4325807 0.4333340 -0.0000000), wk = 0.0022026 k( 54) = ( 0.4408996 0.4416673 -0.0000000), wk = 0.0022026 k( 55) = ( 0.4492184 0.4500007 -0.0000000), wk = 0.0022026 k( 56) = ( 0.4575373 0.4583340 -0.0000000), wk = 0.0022026 k( 57) = ( 0.4658562 0.4666674 -0.0000000), wk = 0.0022026 k( 58) = ( 0.4741750 0.4750007 -0.0000000), wk = 0.0022026 k( 59) = ( 0.4824939 0.4833341 -0.0000000), wk = 0.0022026 k( 60) = ( 0.4908127 0.4916674 -0.0000000), wk = 0.0022026 k( 61) = ( 0.4991316 0.5000008 -0.0000000), wk = 0.0022026 k( 62) = ( 0.4991316 0.5000008 -0.0000000), wk = 0.0022026 k( 63) = ( 0.4872475 0.5000008 -0.0000000), wk = 0.0022026 k( 64) = ( 0.4753634 0.5000008 -0.0000000), wk = 0.0022026 k( 65) = ( 0.4634793 0.5000008 -0.0000000), wk = 0.0022026 k( 66) = ( 0.4515953 0.5000008 -0.0000000), wk = 0.0022026 k( 67) = ( 0.4397112 0.5000008 -0.0000000), wk = 0.0022026 k( 68) = ( 0.4278271 0.5000008 -0.0000000), wk = 0.0022026 k( 69) = ( 0.4159430 0.5000008 -0.0000000), wk = 0.0022026 k( 70) = ( 0.4040589 0.5000008 -0.0000000), wk = 0.0022026 k( 71) = ( 0.3921748 0.5000008 -0.0000000), wk = 0.0022026 k( 72) = ( 0.3802907 0.5000008 -0.0000000), wk = 0.0022026 k( 73) = ( 0.3684067 0.5000008 -0.0000000), wk = 0.0022026 k( 74) = ( 0.3565226 0.5000008 -0.0000000), wk = 0.0022026 k( 75) = ( 0.3446385 0.5000008 -0.0000000), wk = 0.0022026 k( 76) = ( 0.3327544 0.5000008 -0.0000000), wk = 0.0022026 k( 77) = ( 0.3208703 0.5000008 -0.0000000), wk = 0.0022026 k( 78) = ( 0.3089862 0.5000008 -0.0000000), wk = 0.0022026 k( 79) = ( 0.2971021 0.5000008 -0.0000000), wk = 0.0022026 k( 80) = ( 0.2852181 0.5000008 -0.0000000), wk = 0.0022026 k( 81) = ( 0.2733340 0.5000008 -0.0000000), wk = 0.0022026 k( 82) = ( 0.2614499 0.5000008 -0.0000000), wk = 0.0022026 k( 83) = ( 0.2495658 0.5000008 -0.0000000), wk = 0.0022026 k( 84) = ( 0.2376817 0.5000008 -0.0000000), wk = 0.0022026 k( 85) = ( 0.2257976 0.5000008 -0.0000000), wk = 0.0022026 k( 86) = ( 0.2139135 0.5000008 -0.0000000), wk = 0.0022026 k( 87) = ( 0.2020295 0.5000008 -0.0000000), wk = 0.0022026 k( 88) = ( 0.1901454 0.5000008 -0.0000000), wk = 0.0022026 k( 89) = ( 0.1782613 0.5000008 -0.0000000), wk = 0.0022026 k( 90) = ( 0.1663772 0.5000008 -0.0000000), wk = 0.0022026 k( 91) = ( 0.1544931 0.5000008 -0.0000000), wk = 0.0022026 k( 92) = ( 0.1426090 0.5000008 -0.0000000), wk = 0.0022026 k( 93) = ( 0.1307249 0.5000008 -0.0000000), wk = 0.0022026 k( 94) = ( 0.1188409 0.5000008 -0.0000000), wk = 0.0022026 k( 95) = ( 0.1069568 0.5000008 -0.0000000), wk = 0.0022026 k( 96) = ( 0.0950727 0.5000008 -0.0000000), wk = 0.0022026 k( 97) = ( 0.0831886 0.5000008 -0.0000000), wk = 0.0022026 k( 98) = ( 0.0713045 0.5000008 -0.0000000), wk = 0.0022026 k( 99) = ( 0.0594204 0.5000008 -0.0000000), wk = 0.0022026 k( 100) = ( 0.0475363 0.5000008 -0.0000000), wk = 0.0022026 k( 101) = ( 0.0356523 0.5000008 -0.0000000), wk = 0.0022026 k( 102) = ( 0.0237682 0.5000008 -0.0000000), wk = 0.0022026 k( 103) = ( 0.0118841 0.5000008 -0.0000000), wk = 0.0022026 k( 104) = ( 0.0000000 0.5000008 -0.0000000), wk = 0.0022026 k( 105) = ( 0.0000000 0.5000008 -0.0000000), wk = 0.0022026 k( 106) = ( 0.0000000 0.5000008 0.0118337), wk = 0.0022026 k( 107) = ( 0.0000000 0.5000008 0.0236673), wk = 0.0022026 k( 108) = ( 0.0000000 0.5000008 0.0355010), wk = 0.0022026 k( 109) = ( 0.0000000 0.5000008 0.0473347), wk = 0.0022026 k( 110) = ( 0.0000000 0.5000008 0.0591683), wk = 0.0022026 k( 111) = ( 0.0000000 0.5000008 0.0710020), wk = 0.0022026 k( 112) = ( 0.0000000 0.5000008 0.0828357), wk = 0.0022026 k( 113) = ( 0.0000000 0.5000008 0.0946693), wk = 0.0022026 k( 114) = ( 0.0000000 0.5000008 0.1065030), wk = 0.0022026 k( 115) = ( 0.0000000 0.5000008 0.1183366), wk = 0.0022026 k( 116) = ( 0.0000000 0.5000008 0.1301703), wk = 0.0022026 k( 117) = ( 0.0000000 0.5000008 0.1420040), wk = 0.0022026 k( 118) = ( 0.0000000 0.5000008 0.1538376), wk = 0.0022026 k( 119) = ( 0.0000000 0.5000008 0.1656713), wk = 0.0022026 k( 120) = ( 0.0000000 0.5000008 0.1775050), wk = 0.0022026 k( 121) = ( 0.0000000 0.5000008 0.1893386), wk = 0.0022026 k( 122) = ( 0.0000000 0.5000008 0.2011723), wk = 0.0022026 k( 123) = ( 0.0000000 0.5000008 0.2130060), wk = 0.0022026 k( 124) = ( 0.0000000 0.5000008 0.2248396), wk = 0.0022026 k( 125) = ( 0.0000000 0.5000008 0.2366733), wk = 0.0022026 k( 126) = ( 0.0000000 0.5000008 0.2485070), wk = 0.0022026 k( 127) = ( 0.0000000 0.5000008 0.2603406), wk = 0.0022026 k( 128) = ( 0.0000000 0.5000008 0.2721743), wk = 0.0022026 k( 129) = ( 0.0000000 0.5000008 0.2840079), wk = 0.0022026 k( 130) = ( 0.0000000 0.5000008 0.2958416), wk = 0.0022026 k( 131) = ( 0.0000000 0.5000008 0.3076753), wk = 0.0022026 k( 132) = ( 0.0000000 0.5000008 0.3195089), wk = 0.0022026 k( 133) = ( 0.0000000 0.5000008 0.3313426), wk = 0.0022026 k( 134) = ( 0.0000000 0.5000008 0.3431763), wk = 0.0022026 k( 135) = ( 0.0000000 0.5000008 0.3431763), wk = 0.0022026 k( 136) = ( 0.0118841 0.5000008 0.3431763), wk = 0.0022026 k( 137) = ( 0.0237682 0.5000008 0.3431763), wk = 0.0022026 k( 138) = ( 0.0356523 0.5000008 0.3431763), wk = 0.0022026 k( 139) = ( 0.0475363 0.5000008 0.3431763), wk = 0.0022026 k( 140) = ( 0.0594204 0.5000008 0.3431763), wk = 0.0022026 k( 141) = ( 0.0713045 0.5000008 0.3431763), wk = 0.0022026 k( 142) = ( 0.0831886 0.5000008 0.3431763), wk = 0.0022026 k( 143) = ( 0.0950727 0.5000008 0.3431763), wk = 0.0022026 k( 144) = ( 0.1069568 0.5000008 0.3431763), wk = 0.0022026 k( 145) = ( 0.1188409 0.5000008 0.3431763), wk = 0.0022026 k( 146) = ( 0.1307249 0.5000008 0.3431763), wk = 0.0022026 k( 147) = ( 0.1426090 0.5000008 0.3431763), wk = 0.0022026 k( 148) = ( 0.1544931 0.5000008 0.3431763), wk = 0.0022026 k( 149) = ( 0.1663772 0.5000008 0.3431763), wk = 0.0022026 k( 150) = ( 0.1782613 0.5000008 0.3431763), wk = 0.0022026 k( 151) = ( 0.1901454 0.5000008 0.3431763), wk = 0.0022026 k( 152) = ( 0.2020295 0.5000008 0.3431763), wk = 0.0022026 k( 153) = ( 0.2139135 0.5000008 0.3431763), wk = 0.0022026 k( 154) = ( 0.2257976 0.5000008 0.3431763), wk = 0.0022026 k( 155) = ( 0.2376817 0.5000008 0.3431763), wk = 0.0022026 k( 156) = ( 0.2495658 0.5000008 0.3431763), wk = 0.0022026 k( 157) = ( 0.2614499 0.5000008 0.3431763), wk = 0.0022026 k( 158) = ( 0.2733340 0.5000008 0.3431763), wk = 0.0022026 k( 159) = ( 0.2852181 0.5000008 0.3431763), wk = 0.0022026 k( 160) = ( 0.2971021 0.5000008 0.3431763), wk = 0.0022026 k( 161) = ( 0.3089862 0.5000008 0.3431763), wk = 0.0022026 k( 162) = ( 0.3208703 0.5000008 0.3431763), wk = 0.0022026 k( 163) = ( 0.3327544 0.5000008 0.3431763), wk = 0.0022026 k( 164) = ( 0.3446385 0.5000008 0.3431763), wk = 0.0022026 k( 165) = ( 0.3565226 0.5000008 0.3431763), wk = 0.0022026 k( 166) = ( 0.3684067 0.5000008 0.3431763), wk = 0.0022026 k( 167) = ( 0.3802907 0.5000008 0.3431763), wk = 0.0022026 k( 168) = ( 0.3921748 0.5000008 0.3431763), wk = 0.0022026 k( 169) = ( 0.4040589 0.5000008 0.3431763), wk = 0.0022026 k( 170) = ( 0.4159430 0.5000008 0.3431763), wk = 0.0022026 k( 171) = ( 0.4278271 0.5000008 0.3431763), wk = 0.0022026 k( 172) = ( 0.4397112 0.5000008 0.3431763), wk = 0.0022026 k( 173) = ( 0.4515953 0.5000008 0.3431763), wk = 0.0022026 k( 174) = ( 0.4634793 0.5000008 0.3431763), wk = 0.0022026 k( 175) = ( 0.4753634 0.5000008 0.3431763), wk = 0.0022026 k( 176) = ( 0.4872475 0.5000008 0.3431763), wk = 0.0022026 k( 177) = ( 0.4991316 0.5000008 0.3431763), wk = 0.0022026 k( 178) = ( 0.4991316 0.5000008 0.3431763), wk = 0.0022026 k( 179) = ( 0.4908127 0.4916674 0.3431763), wk = 0.0022026 k( 180) = ( 0.4824939 0.4833341 0.3431763), wk = 0.0022026 k( 181) = ( 0.4741750 0.4750007 0.3431763), wk = 0.0022026 k( 182) = ( 0.4658562 0.4666674 0.3431763), wk = 0.0022026 k( 183) = ( 0.4575373 0.4583340 0.3431763), wk = 0.0022026 k( 184) = ( 0.4492184 0.4500007 0.3431763), wk = 0.0022026 k( 185) = ( 0.4408996 0.4416673 0.3431763), wk = 0.0022026 k( 186) = ( 0.4325807 0.4333340 0.3431763), wk = 0.0022026 k( 187) = ( 0.4242619 0.4250006 0.3431763), wk = 0.0022026 k( 188) = ( 0.4159430 0.4166673 0.3431763), wk = 0.0022026 k( 189) = ( 0.4076241 0.4083340 0.3431763), wk = 0.0022026 k( 190) = ( 0.3993053 0.4000006 0.3431763), wk = 0.0022026 k( 191) = ( 0.3909864 0.3916673 0.3431763), wk = 0.0022026 k( 192) = ( 0.3826676 0.3833339 0.3431763), wk = 0.0022026 k( 193) = ( 0.3743487 0.3750006 0.3431763), wk = 0.0022026 k( 194) = ( 0.3660298 0.3666672 0.3431763), wk = 0.0022026 k( 195) = ( 0.3577110 0.3583339 0.3431763), wk = 0.0022026 k( 196) = ( 0.3493921 0.3500005 0.3431763), wk = 0.0022026 k( 197) = ( 0.3410733 0.3416672 0.3431763), wk = 0.0022026 k( 198) = ( 0.3327544 0.3333338 0.3431763), wk = 0.0022026 k( 199) = ( 0.3244355 0.3250005 0.3431763), wk = 0.0022026 k( 200) = ( 0.3161167 0.3166671 0.3431763), wk = 0.0022026 k( 201) = ( 0.3077978 0.3083338 0.3431763), wk = 0.0022026 k( 202) = ( 0.2994790 0.3000005 0.3431763), wk = 0.0022026 k( 203) = ( 0.2911601 0.2916671 0.3431763), wk = 0.0022026 k( 204) = ( 0.2828412 0.2833338 0.3431763), wk = 0.0022026 k( 205) = ( 0.2745224 0.2750004 0.3431763), wk = 0.0022026 k( 206) = ( 0.2662035 0.2666671 0.3431763), wk = 0.0022026 k( 207) = ( 0.2578847 0.2583337 0.3431763), wk = 0.0022026 k( 208) = ( 0.2495658 0.2500004 0.3431763), wk = 0.0022026 k( 209) = ( 0.2412469 0.2416670 0.3431763), wk = 0.0022026 k( 210) = ( 0.2329281 0.2333337 0.3431763), wk = 0.0022026 k( 211) = ( 0.2246092 0.2250003 0.3431763), wk = 0.0022026 k( 212) = ( 0.2162904 0.2166670 0.3431763), wk = 0.0022026 k( 213) = ( 0.2079715 0.2083336 0.3431763), wk = 0.0022026 k( 214) = ( 0.1996526 0.2000003 0.3431763), wk = 0.0022026 k( 215) = ( 0.1913338 0.1916670 0.3431763), wk = 0.0022026 k( 216) = ( 0.1830149 0.1833336 0.3431763), wk = 0.0022026 k( 217) = ( 0.1746961 0.1750003 0.3431763), wk = 0.0022026 k( 218) = ( 0.1663772 0.1666669 0.3431763), wk = 0.0022026 k( 219) = ( 0.1580583 0.1583336 0.3431763), wk = 0.0022026 k( 220) = ( 0.1497395 0.1500002 0.3431763), wk = 0.0022026 k( 221) = ( 0.1414206 0.1416669 0.3431763), wk = 0.0022026 k( 222) = ( 0.1331018 0.1333335 0.3431763), wk = 0.0022026 k( 223) = ( 0.1247829 0.1250002 0.3431763), wk = 0.0022026 k( 224) = ( 0.1164640 0.1166668 0.3431763), wk = 0.0022026 k( 225) = ( 0.1081452 0.1083335 0.3431763), wk = 0.0022026 k( 226) = ( 0.0998263 0.1000002 0.3431763), wk = 0.0022026 k( 227) = ( 0.0915075 0.0916668 0.3431763), wk = 0.0022026 k( 228) = ( 0.0831886 0.0833335 0.3431763), wk = 0.0022026 k( 229) = ( 0.0748697 0.0750001 0.3431763), wk = 0.0022026 k( 230) = ( 0.0665509 0.0666668 0.3431763), wk = 0.0022026 k( 231) = ( 0.0582320 0.0583334 0.3431763), wk = 0.0022026 k( 232) = ( 0.0499132 0.0500001 0.3431763), wk = 0.0022026 k( 233) = ( 0.0415943 0.0416667 0.3431763), wk = 0.0022026 k( 234) = ( 0.0332754 0.0333334 0.3431763), wk = 0.0022026 k( 235) = ( 0.0249566 0.0250000 0.3431763), wk = 0.0022026 k( 236) = ( 0.0166377 0.0166667 0.3431763), wk = 0.0022026 k( 237) = ( 0.0083189 0.0083333 0.3431763), wk = 0.0022026 k( 238) = ( 0.0000000 0.0000000 0.3431763), wk = 0.0022026 k( 239) = ( 0.0000000 0.0000000 0.3431763), wk = 0.0022026 k( 240) = ( 0.0000000 0.0000000 0.3313426), wk = 0.0022026 k( 241) = ( 0.0000000 0.0000000 0.3195089), wk = 0.0022026 k( 242) = ( 0.0000000 0.0000000 0.3076753), wk = 0.0022026 k( 243) = ( 0.0000000 0.0000000 0.2958416), wk = 0.0022026 k( 244) = ( 0.0000000 0.0000000 0.2840079), wk = 0.0022026 k( 245) = ( 0.0000000 0.0000000 0.2721743), wk = 0.0022026 k( 246) = ( 0.0000000 0.0000000 0.2603406), wk = 0.0022026 k( 247) = ( 0.0000000 0.0000000 0.2485070), wk = 0.0022026 k( 248) = ( 0.0000000 0.0000000 0.2366733), wk = 0.0022026 k( 249) = ( 0.0000000 0.0000000 0.2248396), wk = 0.0022026 k( 250) = ( 0.0000000 0.0000000 0.2130060), wk = 0.0022026 k( 251) = ( 0.0000000 0.0000000 0.2011723), wk = 0.0022026 k( 252) = ( 0.0000000 0.0000000 0.1893386), wk = 0.0022026 k( 253) = ( 0.0000000 0.0000000 0.1775050), wk = 0.0022026 k( 254) = ( 0.0000000 0.0000000 0.1656713), wk = 0.0022026 k( 255) = ( 0.0000000 0.0000000 0.1538376), wk = 0.0022026 k( 256) = ( 0.0000000 0.0000000 0.1420040), wk = 0.0022026 k( 257) = ( 0.0000000 0.0000000 0.1301703), wk = 0.0022026 k( 258) = ( 0.0000000 0.0000000 0.1183366), wk = 0.0022026 k( 259) = ( 0.0000000 0.0000000 0.1065030), wk = 0.0022026 k( 260) = ( 0.0000000 0.0000000 0.0946693), wk = 0.0022026 k( 261) = ( 0.0000000 0.0000000 0.0828357), wk = 0.0022026 k( 262) = ( 0.0000000 0.0000000 0.0710020), wk = 0.0022026 k( 263) = ( 0.0000000 0.0000000 0.0591683), wk = 0.0022026 k( 264) = ( 0.0000000 0.0000000 0.0473347), wk = 0.0022026 k( 265) = ( 0.0000000 0.0000000 0.0355010), wk = 0.0022026 k( 266) = ( 0.0000000 0.0000000 0.0236673), wk = 0.0022026 k( 267) = ( 0.0000000 0.0000000 0.0118337), wk = 0.0022026 k( 268) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022026 k( 269) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022026 k( 270) = ( -0.0083333 0.0083188 0.0000000), wk = 0.0022026 k( 271) = ( -0.0166667 0.0166377 0.0000000), wk = 0.0022026 k( 272) = ( -0.0250000 0.0249565 0.0000000), wk = 0.0022026 k( 273) = ( -0.0333333 0.0332754 0.0000000), wk = 0.0022026 k( 274) = ( -0.0416667 0.0415942 0.0000000), wk = 0.0022026 k( 275) = ( -0.0500000 0.0499131 0.0000000), wk = 0.0022026 k( 276) = ( -0.0583333 0.0582319 0.0000000), wk = 0.0022026 k( 277) = ( -0.0666667 0.0665508 0.0000000), wk = 0.0022026 k( 278) = ( -0.0750000 0.0748696 0.0000000), wk = 0.0022026 k( 279) = ( -0.0833333 0.0831885 0.0000000), wk = 0.0022026 k( 280) = ( -0.0916667 0.0915073 0.0000000), wk = 0.0022026 k( 281) = ( -0.1000000 0.0998262 0.0000000), wk = 0.0022026 k( 282) = ( -0.1083333 0.1081450 0.0000000), wk = 0.0022026 k( 283) = ( -0.1166667 0.1164639 0.0000000), wk = 0.0022026 k( 284) = ( -0.1250000 0.1247827 0.0000000), wk = 0.0022026 k( 285) = ( -0.1333333 0.1331016 0.0000000), wk = 0.0022026 k( 286) = ( -0.1416667 0.1414204 0.0000000), wk = 0.0022026 k( 287) = ( -0.1500000 0.1497393 0.0000000), wk = 0.0022026 k( 288) = ( -0.1583333 0.1580581 0.0000000), wk = 0.0022026 k( 289) = ( -0.1666667 0.1663770 0.0000000), wk = 0.0022026 k( 290) = ( -0.1750000 0.1746958 0.0000000), wk = 0.0022026 k( 291) = ( -0.1833333 0.1830146 0.0000000), wk = 0.0022026 k( 292) = ( -0.1916667 0.1913335 0.0000000), wk = 0.0022026 k( 293) = ( -0.2000000 0.1996523 0.0000000), wk = 0.0022026 k( 294) = ( -0.2083333 0.2079712 0.0000000), wk = 0.0022026 k( 295) = ( -0.2166667 0.2162900 0.0000000), wk = 0.0022026 k( 296) = ( -0.2250000 0.2246089 0.0000000), wk = 0.0022026 k( 297) = ( -0.2333333 0.2329277 0.0000000), wk = 0.0022026 k( 298) = ( -0.2416667 0.2412466 0.0000000), wk = 0.0022026 k( 299) = ( -0.2500000 0.2495654 0.0000000), wk = 0.0022026 k( 300) = ( -0.2583333 0.2578843 0.0000000), wk = 0.0022026 k( 301) = ( -0.2666667 0.2662031 0.0000000), wk = 0.0022026 k( 302) = ( -0.2750000 0.2745220 0.0000000), wk = 0.0022026 k( 303) = ( -0.2833333 0.2828408 0.0000000), wk = 0.0022026 k( 304) = ( -0.2916667 0.2911597 0.0000000), wk = 0.0022026 k( 305) = ( -0.3000000 0.2994785 0.0000000), wk = 0.0022026 k( 306) = ( -0.3083333 0.3077974 0.0000000), wk = 0.0022026 k( 307) = ( -0.3166667 0.3161162 0.0000000), wk = 0.0022026 k( 308) = ( -0.3250000 0.3244350 0.0000000), wk = 0.0022026 k( 309) = ( -0.3333333 0.3327539 0.0000000), wk = 0.0022026 k( 310) = ( -0.3416667 0.3410727 0.0000000), wk = 0.0022026 k( 311) = ( -0.3500000 0.3493916 0.0000000), wk = 0.0022026 k( 312) = ( -0.3583333 0.3577104 0.0000000), wk = 0.0022026 k( 313) = ( -0.3666667 0.3660293 0.0000000), wk = 0.0022026 k( 314) = ( -0.3750000 0.3743481 0.0000000), wk = 0.0022026 k( 315) = ( -0.3833333 0.3826670 0.0000000), wk = 0.0022026 k( 316) = ( -0.3916667 0.3909858 0.0000000), wk = 0.0022026 k( 317) = ( -0.4000000 0.3993047 0.0000000), wk = 0.0022026 k( 318) = ( -0.4083333 0.4076235 0.0000000), wk = 0.0022026 k( 319) = ( -0.4166667 0.4159424 0.0000000), wk = 0.0022026 k( 320) = ( -0.4250000 0.4242612 0.0000000), wk = 0.0022026 k( 321) = ( -0.4333333 0.4325801 0.0000000), wk = 0.0022026 k( 322) = ( -0.4416667 0.4408989 0.0000000), wk = 0.0022026 k( 323) = ( -0.4500000 0.4492178 0.0000000), wk = 0.0022026 k( 324) = ( -0.4583333 0.4575366 0.0000000), wk = 0.0022026 k( 325) = ( -0.4666667 0.4658555 0.0000000), wk = 0.0022026 k( 326) = ( -0.4750000 0.4741743 0.0000000), wk = 0.0022026 k( 327) = ( -0.4833333 0.4824931 0.0000000), wk = 0.0022026 k( 328) = ( -0.4916667 0.4908120 0.0000000), wk = 0.0022026 k( 329) = ( -0.5000000 0.4991308 0.0000000), wk = 0.0022026 k( 330) = ( -0.5000000 0.4991308 0.0000000), wk = 0.0022026 k( 331) = ( -0.4991316 0.5000008 -0.0000000), wk = 0.0022026 k( 332) = ( -0.4991316 0.5000008 -0.0000000), wk = 0.0022026 k( 333) = ( -0.4991316 0.5000008 0.0118337), wk = 0.0022026 k( 334) = ( -0.4991316 0.5000008 0.0236673), wk = 0.0022026 k( 335) = ( -0.4991316 0.5000008 0.0355010), wk = 0.0022026 k( 336) = ( -0.4991316 0.5000008 0.0473347), wk = 0.0022026 k( 337) = ( -0.4991316 0.5000008 0.0591683), wk = 0.0022026 k( 338) = ( -0.4991316 0.5000008 0.0710020), wk = 0.0022026 k( 339) = ( -0.4991316 0.5000008 0.0828357), wk = 0.0022026 k( 340) = ( -0.4991316 0.5000008 0.0946693), wk = 0.0022026 k( 341) = ( -0.4991316 0.5000008 0.1065030), wk = 0.0022026 k( 342) = ( -0.4991316 0.5000008 0.1183366), wk = 0.0022026 k( 343) = ( -0.4991316 0.5000008 0.1301703), wk = 0.0022026 k( 344) = ( -0.4991316 0.5000008 0.1420040), wk = 0.0022026 k( 345) = ( -0.4991316 0.5000008 0.1538376), wk = 0.0022026 k( 346) = ( -0.4991316 0.5000008 0.1656713), wk = 0.0022026 k( 347) = ( -0.4991316 0.5000008 0.1775050), wk = 0.0022026 k( 348) = ( -0.4991316 0.5000008 0.1893386), wk = 0.0022026 k( 349) = ( -0.4991316 0.5000008 0.2011723), wk = 0.0022026 k( 350) = ( -0.4991316 0.5000008 0.2130060), wk = 0.0022026 k( 351) = ( -0.4991316 0.5000008 0.2248396), wk = 0.0022026 k( 352) = ( -0.4991316 0.5000008 0.2366733), wk = 0.0022026 k( 353) = ( -0.4991316 0.5000008 0.2485070), wk = 0.0022026 k( 354) = ( -0.4991316 0.5000008 0.2603406), wk = 0.0022026 k( 355) = ( -0.4991316 0.5000008 0.2721743), wk = 0.0022026 k( 356) = ( -0.4991316 0.5000008 0.2840079), wk = 0.0022026 k( 357) = ( -0.4991316 0.5000008 0.2958416), wk = 0.0022026 k( 358) = ( -0.4991316 0.5000008 0.3076753), wk = 0.0022026 k( 359) = ( -0.4991316 0.5000008 0.3195089), wk = 0.0022026 k( 360) = ( -0.4991316 0.5000008 0.3313426), wk = 0.0022026 k( 361) = ( -0.4991316 0.5000008 0.3431763), wk = 0.0022026 k( 362) = ( -0.4991316 0.5000008 0.3431763), wk = 0.0022026 k( 363) = ( -0.5000000 0.4991308 0.3431763), wk = 0.0022026 k( 364) = ( -0.5000000 0.4991308 0.3431763), wk = 0.0022026 k( 365) = ( -0.5000000 0.4991308 0.3313426), wk = 0.0022026 k( 366) = ( -0.5000000 0.4991308 0.3195089), wk = 0.0022026 k( 367) = ( -0.5000000 0.4991308 0.3076753), wk = 0.0022026 k( 368) = ( -0.5000000 0.4991308 0.2958416), wk = 0.0022026 k( 369) = ( -0.5000000 0.4991308 0.2840079), wk = 0.0022026 k( 370) = ( -0.5000000 0.4991308 0.2721743), wk = 0.0022026 k( 371) = ( -0.5000000 0.4991308 0.2603406), wk = 0.0022026 k( 372) = ( -0.5000000 0.4991308 0.2485070), wk = 0.0022026 k( 373) = ( -0.5000000 0.4991308 0.2366733), wk = 0.0022026 k( 374) = ( -0.5000000 0.4991308 0.2248396), wk = 0.0022026 k( 375) = ( -0.5000000 0.4991308 0.2130060), wk = 0.0022026 k( 376) = ( -0.5000000 0.4991308 0.2011723), wk = 0.0022026 k( 377) = ( -0.5000000 0.4991308 0.1893386), wk = 0.0022026 k( 378) = ( -0.5000000 0.4991308 0.1775050), wk = 0.0022026 k( 379) = ( -0.5000000 0.4991308 0.1656713), wk = 0.0022026 k( 380) = ( -0.5000000 0.4991308 0.1538376), wk = 0.0022026 k( 381) = ( -0.5000000 0.4991308 0.1420040), wk = 0.0022026 k( 382) = ( -0.5000000 0.4991308 0.1301703), wk = 0.0022026 k( 383) = ( -0.5000000 0.4991308 0.1183366), wk = 0.0022026 k( 384) = ( -0.5000000 0.4991308 0.1065030), wk = 0.0022026 k( 385) = ( -0.5000000 0.4991308 0.0946693), wk = 0.0022026 k( 386) = ( -0.5000000 0.4991308 0.0828357), wk = 0.0022026 k( 387) = ( -0.5000000 0.4991308 0.0710020), wk = 0.0022026 k( 388) = ( -0.5000000 0.4991308 0.0591683), wk = 0.0022026 k( 389) = ( -0.5000000 0.4991308 0.0473347), wk = 0.0022026 k( 390) = ( -0.5000000 0.4991308 0.0355010), wk = 0.0022026 k( 391) = ( -0.5000000 0.4991308 0.0236673), wk = 0.0022026 k( 392) = ( -0.5000000 0.4991308 0.0118337), wk = 0.0022026 k( 393) = ( -0.5000000 0.4991308 0.0000000), wk = 0.0022026 k( 394) = ( 0.0000000 0.0000000 0.3431763), wk = 0.0022026 k( 395) = ( -0.0083333 0.0083188 0.3431763), wk = 0.0022026 k( 396) = ( -0.0166667 0.0166377 0.3431763), wk = 0.0022026 k( 397) = ( -0.0250000 0.0249565 0.3431763), wk = 0.0022026 k( 398) = ( -0.0333333 0.0332754 0.3431763), wk = 0.0022026 k( 399) = ( -0.0416667 0.0415942 0.3431763), wk = 0.0022026 k( 400) = ( -0.0500000 0.0499131 0.3431763), wk = 0.0022026 k( 401) = ( -0.0583333 0.0582319 0.3431763), wk = 0.0022026 k( 402) = ( -0.0666667 0.0665508 0.3431763), wk = 0.0022026 k( 403) = ( -0.0750000 0.0748696 0.3431763), wk = 0.0022026 k( 404) = ( -0.0833333 0.0831885 0.3431763), wk = 0.0022026 k( 405) = ( -0.0916667 0.0915073 0.3431763), wk = 0.0022026 k( 406) = ( -0.1000000 0.0998262 0.3431763), wk = 0.0022026 k( 407) = ( -0.1083333 0.1081450 0.3431763), wk = 0.0022026 k( 408) = ( -0.1166667 0.1164639 0.3431763), wk = 0.0022026 k( 409) = ( -0.1250000 0.1247827 0.3431763), wk = 0.0022026 k( 410) = ( -0.1333333 0.1331016 0.3431763), wk = 0.0022026 k( 411) = ( -0.1416667 0.1414204 0.3431763), wk = 0.0022026 k( 412) = ( -0.1500000 0.1497393 0.3431763), wk = 0.0022026 k( 413) = ( -0.1583333 0.1580581 0.3431763), wk = 0.0022026 k( 414) = ( -0.1666667 0.1663770 0.3431763), wk = 0.0022026 k( 415) = ( -0.1750000 0.1746958 0.3431763), wk = 0.0022026 k( 416) = ( -0.1833333 0.1830146 0.3431763), wk = 0.0022026 k( 417) = ( -0.1916667 0.1913335 0.3431763), wk = 0.0022026 k( 418) = ( -0.2000000 0.1996523 0.3431763), wk = 0.0022026 k( 419) = ( -0.2083333 0.2079712 0.3431763), wk = 0.0022026 k( 420) = ( -0.2166667 0.2162900 0.3431763), wk = 0.0022026 k( 421) = ( -0.2250000 0.2246089 0.3431763), wk = 0.0022026 k( 422) = ( -0.2333333 0.2329277 0.3431763), wk = 0.0022026 k( 423) = ( -0.2416667 0.2412466 0.3431763), wk = 0.0022026 k( 424) = ( -0.2500000 0.2495654 0.3431763), wk = 0.0022026 k( 425) = ( -0.2583333 0.2578843 0.3431763), wk = 0.0022026 k( 426) = ( -0.2666667 0.2662031 0.3431763), wk = 0.0022026 k( 427) = ( -0.2750000 0.2745220 0.3431763), wk = 0.0022026 k( 428) = ( -0.2833333 0.2828408 0.3431763), wk = 0.0022026 k( 429) = ( -0.2916667 0.2911597 0.3431763), wk = 0.0022026 k( 430) = ( -0.3000000 0.2994785 0.3431763), wk = 0.0022026 k( 431) = ( -0.3083333 0.3077974 0.3431763), wk = 0.0022026 k( 432) = ( -0.3166667 0.3161162 0.3431763), wk = 0.0022026 k( 433) = ( -0.3250000 0.3244350 0.3431763), wk = 0.0022026 k( 434) = ( -0.3333333 0.3327539 0.3431763), wk = 0.0022026 k( 435) = ( -0.3416667 0.3410727 0.3431763), wk = 0.0022026 k( 436) = ( -0.3500000 0.3493916 0.3431763), wk = 0.0022026 k( 437) = ( -0.3583333 0.3577104 0.3431763), wk = 0.0022026 k( 438) = ( -0.3666667 0.3660293 0.3431763), wk = 0.0022026 k( 439) = ( -0.3750000 0.3743481 0.3431763), wk = 0.0022026 k( 440) = ( -0.3833333 0.3826670 0.3431763), wk = 0.0022026 k( 441) = ( -0.3916667 0.3909858 0.3431763), wk = 0.0022026 k( 442) = ( -0.4000000 0.3993047 0.3431763), wk = 0.0022026 k( 443) = ( -0.4083333 0.4076235 0.3431763), wk = 0.0022026 k( 444) = ( -0.4166667 0.4159424 0.3431763), wk = 0.0022026 k( 445) = ( -0.4250000 0.4242612 0.3431763), wk = 0.0022026 k( 446) = ( -0.4333333 0.4325801 0.3431763), wk = 0.0022026 k( 447) = ( -0.4416667 0.4408989 0.3431763), wk = 0.0022026 k( 448) = ( -0.4500000 0.4492178 0.3431763), wk = 0.0022026 k( 449) = ( -0.4583333 0.4575366 0.3431763), wk = 0.0022026 k( 450) = ( -0.4666667 0.4658555 0.3431763), wk = 0.0022026 k( 451) = ( -0.4750000 0.4741743 0.3431763), wk = 0.0022026 k( 452) = ( -0.4833333 0.4824931 0.3431763), wk = 0.0022026 k( 453) = ( -0.4916667 0.4908120 0.3431763), wk = 0.0022026 k( 454) = ( -0.5000000 0.4991308 0.3431763), wk = 0.0022026 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022026 k( 2) = ( 0.0083189 0.0083189 0.0000000), wk = 0.0022026 k( 3) = ( 0.0166377 0.0166377 0.0000000), wk = 0.0022026 k( 4) = ( 0.0249566 0.0249566 0.0000000), wk = 0.0022026 k( 5) = ( 0.0332754 0.0332754 0.0000000), wk = 0.0022026 k( 6) = ( 0.0415943 0.0415943 0.0000000), wk = 0.0022026 k( 7) = ( 0.0499132 0.0499132 0.0000000), wk = 0.0022026 k( 8) = ( 0.0582320 0.0582320 -0.0000000), wk = 0.0022026 k( 9) = ( 0.0665509 0.0665509 0.0000000), wk = 0.0022026 k( 10) = ( 0.0748697 0.0748697 0.0000000), wk = 0.0022026 k( 11) = ( 0.0831886 0.0831886 0.0000000), wk = 0.0022026 k( 12) = ( 0.0915075 0.0915075 -0.0000000), wk = 0.0022026 k( 13) = ( 0.0998263 0.0998263 0.0000000), wk = 0.0022026 k( 14) = ( 0.1081452 0.1081452 0.0000000), wk = 0.0022026 k( 15) = ( 0.1164640 0.1164640 -0.0000000), wk = 0.0022026 k( 16) = ( 0.1247829 0.1247829 0.0000000), wk = 0.0022026 k( 17) = ( 0.1331018 0.1331018 0.0000000), wk = 0.0022026 k( 18) = ( 0.1414206 0.1414206 0.0000000), wk = 0.0022026 k( 19) = ( 0.1497395 0.1497395 0.0000000), wk = 0.0022026 k( 20) = ( 0.1580583 0.1580583 -0.0000000), wk = 0.0022026 k( 21) = ( 0.1663772 0.1663772 0.0000000), wk = 0.0022026 k( 22) = ( 0.1746961 0.1746961 0.0000000), wk = 0.0022026 k( 23) = ( 0.1830149 0.1830149 -0.0000000), wk = 0.0022026 k( 24) = ( 0.1913338 0.1913338 0.0000000), wk = 0.0022026 k( 25) = ( 0.1996526 0.1996526 0.0000000), wk = 0.0022026 k( 26) = ( 0.2079715 0.2079715 0.0000000), wk = 0.0022026 k( 27) = ( 0.2162904 0.2162904 0.0000000), wk = 0.0022026 k( 28) = ( 0.2246092 0.2246092 0.0000000), wk = 0.0022026 k( 29) = ( 0.2329281 0.2329281 -0.0000000), wk = 0.0022026 k( 30) = ( 0.2412469 0.2412469 0.0000000), wk = 0.0022026 k( 31) = ( 0.2495658 0.2495658 0.0000000), wk = 0.0022026 k( 32) = ( 0.2578847 0.2578847 -0.0000000), wk = 0.0022026 k( 33) = ( 0.2662035 0.2662035 0.0000000), wk = 0.0022026 k( 34) = ( 0.2745224 0.2745224 0.0000000), wk = 0.0022026 k( 35) = ( 0.2828412 0.2828412 0.0000000), wk = 0.0022026 k( 36) = ( 0.2911601 0.2911601 0.0000000), wk = 0.0022026 k( 37) = ( 0.2994790 0.2994790 0.0000000), wk = 0.0022026 k( 38) = ( 0.3077978 0.3077978 0.0000000), wk = 0.0022026 k( 39) = ( 0.3161167 0.3161167 -0.0000000), wk = 0.0022026 k( 40) = ( 0.3244355 0.3244355 0.0000000), wk = 0.0022026 k( 41) = ( 0.3327544 0.3327544 0.0000000), wk = 0.0022026 k( 42) = ( 0.3410733 0.3410733 0.0000000), wk = 0.0022026 k( 43) = ( 0.3493921 0.3493921 0.0000000), wk = 0.0022026 k( 44) = ( 0.3577110 0.3577110 -0.0000000), wk = 0.0022026 k( 45) = ( 0.3660298 0.3660298 -0.0000000), wk = 0.0022026 k( 46) = ( 0.3743487 0.3743487 0.0000000), wk = 0.0022026 k( 47) = ( 0.3826676 0.3826676 0.0000000), wk = 0.0022026 k( 48) = ( 0.3909864 0.3909864 0.0000000), wk = 0.0022026 k( 49) = ( 0.3993053 0.3993053 0.0000000), wk = 0.0022026 k( 50) = ( 0.4076241 0.4076241 -0.0000000), wk = 0.0022026 k( 51) = ( 0.4159430 0.4159430 0.0000000), wk = 0.0022026 k( 52) = ( 0.4242619 0.4242619 -0.0000000), wk = 0.0022026 k( 53) = ( 0.4325807 0.4325807 0.0000000), wk = 0.0022026 k( 54) = ( 0.4408996 0.4408996 0.0000000), wk = 0.0022026 k( 55) = ( 0.4492184 0.4492184 0.0000000), wk = 0.0022026 k( 56) = ( 0.4575373 0.4575373 0.0000000), wk = 0.0022026 k( 57) = ( 0.4658562 0.4658562 -0.0000000), wk = 0.0022026 k( 58) = ( 0.4741750 0.4741750 0.0000000), wk = 0.0022026 k( 59) = ( 0.4824939 0.4824939 0.0000000), wk = 0.0022026 k( 60) = ( 0.4908127 0.4908127 0.0000000), wk = 0.0022026 k( 61) = ( 0.4991316 0.4991316 0.0000000), wk = 0.0022026 k( 62) = ( 0.4991316 0.4991316 0.0000000), wk = 0.0022026 k( 63) = ( 0.4872475 0.4991523 0.0000000), wk = 0.0022026 k( 64) = ( 0.4753634 0.4991729 -0.0000000), wk = 0.0022026 k( 65) = ( 0.4634793 0.4991936 0.0000000), wk = 0.0022026 k( 66) = ( 0.4515953 0.4992143 0.0000000), wk = 0.0022026 k( 67) = ( 0.4397112 0.4992350 -0.0000000), wk = 0.0022026 k( 68) = ( 0.4278271 0.4992557 0.0000000), wk = 0.0022026 k( 69) = ( 0.4159430 0.4992763 0.0000000), wk = 0.0022026 k( 70) = ( 0.4040589 0.4992970 0.0000000), wk = 0.0022026 k( 71) = ( 0.3921748 0.4993177 0.0000000), wk = 0.0022026 k( 72) = ( 0.3802907 0.4993384 0.0000000), wk = 0.0022026 k( 73) = ( 0.3684067 0.4993590 0.0000000), wk = 0.0022026 k( 74) = ( 0.3565226 0.4993797 0.0000000), wk = 0.0022026 k( 75) = ( 0.3446385 0.4994004 -0.0000000), wk = 0.0022026 k( 76) = ( 0.3327544 0.4994211 -0.0000000), wk = 0.0022026 k( 77) = ( 0.3208703 0.4994417 0.0000000), wk = 0.0022026 k( 78) = ( 0.3089862 0.4994624 0.0000000), wk = 0.0022026 k( 79) = ( 0.2971021 0.4994831 0.0000000), wk = 0.0022026 k( 80) = ( 0.2852181 0.4995038 0.0000000), wk = 0.0022026 k( 81) = ( 0.2733340 0.4995245 0.0000000), wk = 0.0022026 k( 82) = ( 0.2614499 0.4995451 0.0000000), wk = 0.0022026 k( 83) = ( 0.2495658 0.4995658 -0.0000000), wk = 0.0022026 k( 84) = ( 0.2376817 0.4995865 0.0000000), wk = 0.0022026 k( 85) = ( 0.2257976 0.4996071 0.0000000), wk = 0.0022026 k( 86) = ( 0.2139135 0.4996278 0.0000000), wk = 0.0022026 k( 87) = ( 0.2020295 0.4996485 0.0000000), wk = 0.0022026 k( 88) = ( 0.1901454 0.4996692 0.0000000), wk = 0.0022026 k( 89) = ( 0.1782613 0.4996899 0.0000000), wk = 0.0022026 k( 90) = ( 0.1663772 0.4997105 0.0000000), wk = 0.0022026 k( 91) = ( 0.1544931 0.4997312 0.0000000), wk = 0.0022026 k( 92) = ( 0.1426090 0.4997519 0.0000000), wk = 0.0022026 k( 93) = ( 0.1307249 0.4997726 0.0000000), wk = 0.0022026 k( 94) = ( 0.1188409 0.4997932 0.0000000), wk = 0.0022026 k( 95) = ( 0.1069568 0.4998139 0.0000000), wk = 0.0022026 k( 96) = ( 0.0950727 0.4998346 0.0000000), wk = 0.0022026 k( 97) = ( 0.0831886 0.4998553 0.0000000), wk = 0.0022026 k( 98) = ( 0.0713045 0.4998759 0.0000000), wk = 0.0022026 k( 99) = ( 0.0594204 0.4998966 0.0000000), wk = 0.0022026 k( 100) = ( 0.0475363 0.4999173 0.0000000), wk = 0.0022026 k( 101) = ( 0.0356523 0.4999380 0.0000000), wk = 0.0022026 k( 102) = ( 0.0237682 0.4999586 0.0000000), wk = 0.0022026 k( 103) = ( 0.0118841 0.4999793 0.0000000), wk = 0.0022026 k( 104) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022026 k( 105) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022026 k( 106) = ( 0.0000000 0.5000000 0.0172414), wk = 0.0022026 k( 107) = ( 0.0000000 0.5000000 0.0344828), wk = 0.0022026 k( 108) = ( 0.0000000 0.5000000 0.0517241), wk = 0.0022026 k( 109) = ( 0.0000000 0.5000000 0.0689655), wk = 0.0022026 k( 110) = ( 0.0000000 0.5000000 0.0862069), wk = 0.0022026 k( 111) = ( 0.0000000 0.5000000 0.1034483), wk = 0.0022026 k( 112) = ( 0.0000000 0.5000000 0.1206897), wk = 0.0022026 k( 113) = ( 0.0000000 0.5000000 0.1379310), wk = 0.0022026 k( 114) = ( 0.0000000 0.5000000 0.1551724), wk = 0.0022026 k( 115) = ( 0.0000000 0.5000000 0.1724138), wk = 0.0022026 k( 116) = ( 0.0000000 0.5000000 0.1896552), wk = 0.0022026 k( 117) = ( 0.0000000 0.5000000 0.2068965), wk = 0.0022026 k( 118) = ( 0.0000000 0.5000000 0.2241379), wk = 0.0022026 k( 119) = ( 0.0000000 0.5000000 0.2413793), wk = 0.0022026 k( 120) = ( 0.0000000 0.5000000 0.2586207), wk = 0.0022026 k( 121) = ( 0.0000000 0.5000000 0.2758621), wk = 0.0022026 k( 122) = ( 0.0000000 0.5000000 0.2931034), wk = 0.0022026 k( 123) = ( 0.0000000 0.5000000 0.3103448), wk = 0.0022026 k( 124) = ( 0.0000000 0.5000000 0.3275862), wk = 0.0022026 k( 125) = ( 0.0000000 0.5000000 0.3448276), wk = 0.0022026 k( 126) = ( 0.0000000 0.5000000 0.3620690), wk = 0.0022026 k( 127) = ( 0.0000000 0.5000000 0.3793103), wk = 0.0022026 k( 128) = ( 0.0000000 0.5000000 0.3965517), wk = 0.0022026 k( 129) = ( 0.0000000 0.5000000 0.4137931), wk = 0.0022026 k( 130) = ( 0.0000000 0.5000000 0.4310345), wk = 0.0022026 k( 131) = ( 0.0000000 0.5000000 0.4482759), wk = 0.0022026 k( 132) = ( 0.0000000 0.5000000 0.4655172), wk = 0.0022026 k( 133) = ( 0.0000000 0.5000000 0.4827586), wk = 0.0022026 k( 134) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022026 k( 135) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022026 k( 136) = ( 0.0118841 0.4999793 0.5000000), wk = 0.0022026 k( 137) = ( 0.0237682 0.4999586 0.5000000), wk = 0.0022026 k( 138) = ( 0.0356523 0.4999380 0.5000000), wk = 0.0022026 k( 139) = ( 0.0475363 0.4999173 0.5000000), wk = 0.0022026 k( 140) = ( 0.0594204 0.4998966 0.5000000), wk = 0.0022026 k( 141) = ( 0.0713045 0.4998759 0.5000000), wk = 0.0022026 k( 142) = ( 0.0831886 0.4998553 0.5000000), wk = 0.0022026 k( 143) = ( 0.0950727 0.4998346 0.5000000), wk = 0.0022026 k( 144) = ( 0.1069568 0.4998139 0.5000000), wk = 0.0022026 k( 145) = ( 0.1188409 0.4997932 0.5000000), wk = 0.0022026 k( 146) = ( 0.1307249 0.4997726 0.5000000), wk = 0.0022026 k( 147) = ( 0.1426090 0.4997519 0.5000000), wk = 0.0022026 k( 148) = ( 0.1544931 0.4997312 0.5000000), wk = 0.0022026 k( 149) = ( 0.1663772 0.4997105 0.5000000), wk = 0.0022026 k( 150) = ( 0.1782613 0.4996899 0.5000000), wk = 0.0022026 k( 151) = ( 0.1901454 0.4996692 0.5000000), wk = 0.0022026 k( 152) = ( 0.2020295 0.4996485 0.5000000), wk = 0.0022026 k( 153) = ( 0.2139135 0.4996278 0.5000000), wk = 0.0022026 k( 154) = ( 0.2257976 0.4996071 0.5000000), wk = 0.0022026 k( 155) = ( 0.2376817 0.4995865 0.5000000), wk = 0.0022026 k( 156) = ( 0.2495658 0.4995658 0.5000000), wk = 0.0022026 k( 157) = ( 0.2614499 0.4995451 0.5000000), wk = 0.0022026 k( 158) = ( 0.2733340 0.4995245 0.5000000), wk = 0.0022026 k( 159) = ( 0.2852181 0.4995038 0.5000000), wk = 0.0022026 k( 160) = ( 0.2971021 0.4994831 0.5000000), wk = 0.0022026 k( 161) = ( 0.3089862 0.4994624 0.5000000), wk = 0.0022026 k( 162) = ( 0.3208703 0.4994417 0.5000000), wk = 0.0022026 k( 163) = ( 0.3327544 0.4994211 0.5000000), wk = 0.0022026 k( 164) = ( 0.3446385 0.4994004 0.5000000), wk = 0.0022026 k( 165) = ( 0.3565226 0.4993797 0.5000000), wk = 0.0022026 k( 166) = ( 0.3684067 0.4993590 0.5000000), wk = 0.0022026 k( 167) = ( 0.3802907 0.4993384 0.5000000), wk = 0.0022026 k( 168) = ( 0.3921748 0.4993177 0.5000000), wk = 0.0022026 k( 169) = ( 0.4040589 0.4992970 0.5000000), wk = 0.0022026 k( 170) = ( 0.4159430 0.4992763 0.5000000), wk = 0.0022026 k( 171) = ( 0.4278271 0.4992557 0.5000000), wk = 0.0022026 k( 172) = ( 0.4397112 0.4992350 0.5000000), wk = 0.0022026 k( 173) = ( 0.4515953 0.4992143 0.5000000), wk = 0.0022026 k( 174) = ( 0.4634793 0.4991936 0.5000000), wk = 0.0022026 k( 175) = ( 0.4753634 0.4991729 0.5000000), wk = 0.0022026 k( 176) = ( 0.4872475 0.4991523 0.5000000), wk = 0.0022026 k( 177) = ( 0.4991316 0.4991316 0.5000000), wk = 0.0022026 k( 178) = ( 0.4991316 0.4991316 0.5000000), wk = 0.0022026 k( 179) = ( 0.4908127 0.4908127 0.5000000), wk = 0.0022026 k( 180) = ( 0.4824939 0.4824939 0.5000000), wk = 0.0022026 k( 181) = ( 0.4741750 0.4741750 0.5000000), wk = 0.0022026 k( 182) = ( 0.4658562 0.4658562 0.5000000), wk = 0.0022026 k( 183) = ( 0.4575373 0.4575373 0.5000000), wk = 0.0022026 k( 184) = ( 0.4492184 0.4492184 0.5000000), wk = 0.0022026 k( 185) = ( 0.4408996 0.4408996 0.5000000), wk = 0.0022026 k( 186) = ( 0.4325807 0.4325807 0.5000000), wk = 0.0022026 k( 187) = ( 0.4242619 0.4242619 0.5000000), wk = 0.0022026 k( 188) = ( 0.4159430 0.4159430 0.5000000), wk = 0.0022026 k( 189) = ( 0.4076241 0.4076241 0.5000000), wk = 0.0022026 k( 190) = ( 0.3993053 0.3993053 0.5000000), wk = 0.0022026 k( 191) = ( 0.3909864 0.3909864 0.5000000), wk = 0.0022026 k( 192) = ( 0.3826676 0.3826676 0.5000000), wk = 0.0022026 k( 193) = ( 0.3743487 0.3743487 0.5000000), wk = 0.0022026 k( 194) = ( 0.3660298 0.3660298 0.5000000), wk = 0.0022026 k( 195) = ( 0.3577110 0.3577110 0.5000000), wk = 0.0022026 k( 196) = ( 0.3493921 0.3493921 0.5000000), wk = 0.0022026 k( 197) = ( 0.3410733 0.3410733 0.5000000), wk = 0.0022026 k( 198) = ( 0.3327544 0.3327544 0.5000000), wk = 0.0022026 k( 199) = ( 0.3244355 0.3244355 0.5000000), wk = 0.0022026 k( 200) = ( 0.3161167 0.3161167 0.5000000), wk = 0.0022026 k( 201) = ( 0.3077978 0.3077978 0.5000000), wk = 0.0022026 k( 202) = ( 0.2994790 0.2994790 0.5000000), wk = 0.0022026 k( 203) = ( 0.2911601 0.2911601 0.5000000), wk = 0.0022026 k( 204) = ( 0.2828412 0.2828412 0.5000000), wk = 0.0022026 k( 205) = ( 0.2745224 0.2745224 0.5000000), wk = 0.0022026 k( 206) = ( 0.2662035 0.2662035 0.5000000), wk = 0.0022026 k( 207) = ( 0.2578847 0.2578847 0.5000000), wk = 0.0022026 k( 208) = ( 0.2495658 0.2495658 0.5000000), wk = 0.0022026 k( 209) = ( 0.2412469 0.2412469 0.5000000), wk = 0.0022026 k( 210) = ( 0.2329281 0.2329281 0.5000000), wk = 0.0022026 k( 211) = ( 0.2246092 0.2246092 0.5000000), wk = 0.0022026 k( 212) = ( 0.2162904 0.2162904 0.5000000), wk = 0.0022026 k( 213) = ( 0.2079715 0.2079715 0.5000000), wk = 0.0022026 k( 214) = ( 0.1996526 0.1996526 0.5000000), wk = 0.0022026 k( 215) = ( 0.1913338 0.1913338 0.5000000), wk = 0.0022026 k( 216) = ( 0.1830149 0.1830149 0.5000000), wk = 0.0022026 k( 217) = ( 0.1746961 0.1746961 0.5000000), wk = 0.0022026 k( 218) = ( 0.1663772 0.1663772 0.5000000), wk = 0.0022026 k( 219) = ( 0.1580583 0.1580583 0.5000000), wk = 0.0022026 k( 220) = ( 0.1497395 0.1497395 0.5000000), wk = 0.0022026 k( 221) = ( 0.1414206 0.1414206 0.5000000), wk = 0.0022026 k( 222) = ( 0.1331018 0.1331018 0.5000000), wk = 0.0022026 k( 223) = ( 0.1247829 0.1247829 0.5000000), wk = 0.0022026 k( 224) = ( 0.1164640 0.1164640 0.5000000), wk = 0.0022026 k( 225) = ( 0.1081452 0.1081452 0.5000000), wk = 0.0022026 k( 226) = ( 0.0998263 0.0998263 0.5000000), wk = 0.0022026 k( 227) = ( 0.0915075 0.0915075 0.5000000), wk = 0.0022026 k( 228) = ( 0.0831886 0.0831886 0.5000000), wk = 0.0022026 k( 229) = ( 0.0748697 0.0748697 0.5000000), wk = 0.0022026 k( 230) = ( 0.0665509 0.0665509 0.5000000), wk = 0.0022026 k( 231) = ( 0.0582320 0.0582320 0.5000000), wk = 0.0022026 k( 232) = ( 0.0499132 0.0499132 0.5000000), wk = 0.0022026 k( 233) = ( 0.0415943 0.0415943 0.5000000), wk = 0.0022026 k( 234) = ( 0.0332754 0.0332754 0.5000000), wk = 0.0022026 k( 235) = ( 0.0249566 0.0249566 0.5000000), wk = 0.0022026 k( 236) = ( 0.0166377 0.0166377 0.5000000), wk = 0.0022026 k( 237) = ( 0.0083189 0.0083189 0.5000000), wk = 0.0022026 k( 238) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022026 k( 239) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022026 k( 240) = ( 0.0000000 0.0000000 0.4827586), wk = 0.0022026 k( 241) = ( 0.0000000 0.0000000 0.4655172), wk = 0.0022026 k( 242) = ( 0.0000000 0.0000000 0.4482759), wk = 0.0022026 k( 243) = ( 0.0000000 0.0000000 0.4310345), wk = 0.0022026 k( 244) = ( 0.0000000 0.0000000 0.4137931), wk = 0.0022026 k( 245) = ( 0.0000000 0.0000000 0.3965517), wk = 0.0022026 k( 246) = ( 0.0000000 0.0000000 0.3793103), wk = 0.0022026 k( 247) = ( 0.0000000 0.0000000 0.3620690), wk = 0.0022026 k( 248) = ( 0.0000000 0.0000000 0.3448276), wk = 0.0022026 k( 249) = ( 0.0000000 0.0000000 0.3275862), wk = 0.0022026 k( 250) = ( 0.0000000 0.0000000 0.3103448), wk = 0.0022026 k( 251) = ( 0.0000000 0.0000000 0.2931034), wk = 0.0022026 k( 252) = ( 0.0000000 0.0000000 0.2758621), wk = 0.0022026 k( 253) = ( 0.0000000 0.0000000 0.2586207), wk = 0.0022026 k( 254) = ( 0.0000000 0.0000000 0.2413793), wk = 0.0022026 k( 255) = ( 0.0000000 0.0000000 0.2241379), wk = 0.0022026 k( 256) = ( 0.0000000 0.0000000 0.2068965), wk = 0.0022026 k( 257) = ( 0.0000000 0.0000000 0.1896552), wk = 0.0022026 k( 258) = ( 0.0000000 0.0000000 0.1724138), wk = 0.0022026 k( 259) = ( 0.0000000 0.0000000 0.1551724), wk = 0.0022026 k( 260) = ( 0.0000000 0.0000000 0.1379310), wk = 0.0022026 k( 261) = ( 0.0000000 0.0000000 0.1206897), wk = 0.0022026 k( 262) = ( 0.0000000 0.0000000 0.1034483), wk = 0.0022026 k( 263) = ( 0.0000000 0.0000000 0.0862069), wk = 0.0022026 k( 264) = ( 0.0000000 0.0000000 0.0689655), wk = 0.0022026 k( 265) = ( 0.0000000 0.0000000 0.0517241), wk = 0.0022026 k( 266) = ( 0.0000000 0.0000000 0.0344828), wk = 0.0022026 k( 267) = ( 0.0000000 0.0000000 0.0172414), wk = 0.0022026 k( 268) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022026 k( 269) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022026 k( 270) = ( -0.0083333 0.0083333 0.0000000), wk = 0.0022026 k( 271) = ( -0.0166667 0.0166667 0.0000000), wk = 0.0022026 k( 272) = ( -0.0250000 0.0250000 -0.0000000), wk = 0.0022026 k( 273) = ( -0.0333333 0.0333333 -0.0000000), wk = 0.0022026 k( 274) = ( -0.0416667 0.0416667 -0.0000000), wk = 0.0022026 k( 275) = ( -0.0500000 0.0500000 -0.0000000), wk = 0.0022026 k( 276) = ( -0.0583333 0.0583333 -0.0000000), wk = 0.0022026 k( 277) = ( -0.0666667 0.0666667 0.0000000), wk = 0.0022026 k( 278) = ( -0.0750000 0.0750000 0.0000000), wk = 0.0022026 k( 279) = ( -0.0833333 0.0833333 -0.0000000), wk = 0.0022026 k( 280) = ( -0.0916667 0.0916667 -0.0000000), wk = 0.0022026 k( 281) = ( -0.1000000 0.1000000 -0.0000000), wk = 0.0022026 k( 282) = ( -0.1083333 0.1083333 -0.0000000), wk = 0.0022026 k( 283) = ( -0.1166667 0.1166667 0.0000000), wk = 0.0022026 k( 284) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0022026 k( 285) = ( -0.1333333 0.1333333 -0.0000000), wk = 0.0022026 k( 286) = ( -0.1416667 0.1416667 0.0000000), wk = 0.0022026 k( 287) = ( -0.1500000 0.1500000 0.0000000), wk = 0.0022026 k( 288) = ( -0.1583333 0.1583333 0.0000000), wk = 0.0022026 k( 289) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0022026 k( 290) = ( -0.1750000 0.1750000 0.0000000), wk = 0.0022026 k( 291) = ( -0.1833333 0.1833333 -0.0000000), wk = 0.0022026 k( 292) = ( -0.1916667 0.1916667 -0.0000000), wk = 0.0022026 k( 293) = ( -0.2000000 0.2000000 -0.0000000), wk = 0.0022026 k( 294) = ( -0.2083333 0.2083333 0.0000000), wk = 0.0022026 k( 295) = ( -0.2166667 0.2166667 0.0000000), wk = 0.0022026 k( 296) = ( -0.2250000 0.2250000 0.0000000), wk = 0.0022026 k( 297) = ( -0.2333333 0.2333333 0.0000000), wk = 0.0022026 k( 298) = ( -0.2416667 0.2416667 0.0000000), wk = 0.0022026 k( 299) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0022026 k( 300) = ( -0.2583333 0.2583333 0.0000000), wk = 0.0022026 k( 301) = ( -0.2666667 0.2666667 0.0000000), wk = 0.0022026 k( 302) = ( -0.2750000 0.2750000 0.0000000), wk = 0.0022026 k( 303) = ( -0.2833333 0.2833333 -0.0000000), wk = 0.0022026 k( 304) = ( -0.2916667 0.2916667 0.0000000), wk = 0.0022026 k( 305) = ( -0.3000000 0.3000000 0.0000000), wk = 0.0022026 k( 306) = ( -0.3083333 0.3083333 0.0000000), wk = 0.0022026 k( 307) = ( -0.3166667 0.3166667 -0.0000000), wk = 0.0022026 k( 308) = ( -0.3250000 0.3250000 -0.0000000), wk = 0.0022026 k( 309) = ( -0.3333333 0.3333333 0.0000000), wk = 0.0022026 k( 310) = ( -0.3416667 0.3416667 -0.0000000), wk = 0.0022026 k( 311) = ( -0.3500000 0.3500000 0.0000000), wk = 0.0022026 k( 312) = ( -0.3583333 0.3583333 0.0000000), wk = 0.0022026 k( 313) = ( -0.3666667 0.3666667 0.0000000), wk = 0.0022026 k( 314) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0022026 k( 315) = ( -0.3833333 0.3833333 -0.0000000), wk = 0.0022026 k( 316) = ( -0.3916667 0.3916667 -0.0000000), wk = 0.0022026 k( 317) = ( -0.4000000 0.4000000 -0.0000000), wk = 0.0022026 k( 318) = ( -0.4083333 0.4083333 -0.0000000), wk = 0.0022026 k( 319) = ( -0.4166667 0.4166667 0.0000000), wk = 0.0022026 k( 320) = ( -0.4250000 0.4250000 0.0000000), wk = 0.0022026 k( 321) = ( -0.4333333 0.4333333 0.0000000), wk = 0.0022026 k( 322) = ( -0.4416667 0.4416667 0.0000000), wk = 0.0022026 k( 323) = ( -0.4500000 0.4500000 0.0000000), wk = 0.0022026 k( 324) = ( -0.4583333 0.4583333 0.0000000), wk = 0.0022026 k( 325) = ( -0.4666667 0.4666667 -0.0000000), wk = 0.0022026 k( 326) = ( -0.4750000 0.4750000 -0.0000000), wk = 0.0022026 k( 327) = ( -0.4833333 0.4833333 -0.0000000), wk = 0.0022026 k( 328) = ( -0.4916667 0.4916667 0.0000000), wk = 0.0022026 k( 329) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0022026 k( 330) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0022026 k( 331) = ( -0.4991316 0.5008684 0.0000000), wk = 0.0022026 k( 332) = ( -0.4991316 0.5008684 0.0000000), wk = 0.0022026 k( 333) = ( -0.4991316 0.5008684 0.0172414), wk = 0.0022026 k( 334) = ( -0.4991316 0.5008684 0.0344828), wk = 0.0022026 k( 335) = ( -0.4991316 0.5008684 0.0517241), wk = 0.0022026 k( 336) = ( -0.4991316 0.5008684 0.0689655), wk = 0.0022026 k( 337) = ( -0.4991316 0.5008684 0.0862069), wk = 0.0022026 k( 338) = ( -0.4991316 0.5008684 0.1034483), wk = 0.0022026 k( 339) = ( -0.4991316 0.5008684 0.1206897), wk = 0.0022026 k( 340) = ( -0.4991316 0.5008684 0.1379310), wk = 0.0022026 k( 341) = ( -0.4991316 0.5008684 0.1551724), wk = 0.0022026 k( 342) = ( -0.4991316 0.5008684 0.1724138), wk = 0.0022026 k( 343) = ( -0.4991316 0.5008684 0.1896552), wk = 0.0022026 k( 344) = ( -0.4991316 0.5008684 0.2068965), wk = 0.0022026 k( 345) = ( -0.4991316 0.5008684 0.2241379), wk = 0.0022026 k( 346) = ( -0.4991316 0.5008684 0.2413793), wk = 0.0022026 k( 347) = ( -0.4991316 0.5008684 0.2586207), wk = 0.0022026 k( 348) = ( -0.4991316 0.5008684 0.2758621), wk = 0.0022026 k( 349) = ( -0.4991316 0.5008684 0.2931034), wk = 0.0022026 k( 350) = ( -0.4991316 0.5008684 0.3103448), wk = 0.0022026 k( 351) = ( -0.4991316 0.5008684 0.3275862), wk = 0.0022026 k( 352) = ( -0.4991316 0.5008684 0.3448276), wk = 0.0022026 k( 353) = ( -0.4991316 0.5008684 0.3620690), wk = 0.0022026 k( 354) = ( -0.4991316 0.5008684 0.3793103), wk = 0.0022026 k( 355) = ( -0.4991316 0.5008684 0.3965517), wk = 0.0022026 k( 356) = ( -0.4991316 0.5008684 0.4137931), wk = 0.0022026 k( 357) = ( -0.4991316 0.5008684 0.4310345), wk = 0.0022026 k( 358) = ( -0.4991316 0.5008684 0.4482759), wk = 0.0022026 k( 359) = ( -0.4991316 0.5008684 0.4655172), wk = 0.0022026 k( 360) = ( -0.4991316 0.5008684 0.4827586), wk = 0.0022026 k( 361) = ( -0.4991316 0.5008684 0.5000000), wk = 0.0022026 k( 362) = ( -0.4991316 0.5008684 0.5000000), wk = 0.0022026 k( 363) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022026 k( 364) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022026 k( 365) = ( -0.5000000 0.5000000 0.4827586), wk = 0.0022026 k( 366) = ( -0.5000000 0.5000000 0.4655172), wk = 0.0022026 k( 367) = ( -0.5000000 0.5000000 0.4482759), wk = 0.0022026 k( 368) = ( -0.5000000 0.5000000 0.4310345), wk = 0.0022026 k( 369) = ( -0.5000000 0.5000000 0.4137931), wk = 0.0022026 k( 370) = ( -0.5000000 0.5000000 0.3965517), wk = 0.0022026 k( 371) = ( -0.5000000 0.5000000 0.3793103), wk = 0.0022026 k( 372) = ( -0.5000000 0.5000000 0.3620690), wk = 0.0022026 k( 373) = ( -0.5000000 0.5000000 0.3448276), wk = 0.0022026 k( 374) = ( -0.5000000 0.5000000 0.3275862), wk = 0.0022026 k( 375) = ( -0.5000000 0.5000000 0.3103448), wk = 0.0022026 k( 376) = ( -0.5000000 0.5000000 0.2931034), wk = 0.0022026 k( 377) = ( -0.5000000 0.5000000 0.2758621), wk = 0.0022026 k( 378) = ( -0.5000000 0.5000000 0.2586207), wk = 0.0022026 k( 379) = ( -0.5000000 0.5000000 0.2413793), wk = 0.0022026 k( 380) = ( -0.5000000 0.5000000 0.2241379), wk = 0.0022026 k( 381) = ( -0.5000000 0.5000000 0.2068965), wk = 0.0022026 k( 382) = ( -0.5000000 0.5000000 0.1896552), wk = 0.0022026 k( 383) = ( -0.5000000 0.5000000 0.1724138), wk = 0.0022026 k( 384) = ( -0.5000000 0.5000000 0.1551724), wk = 0.0022026 k( 385) = ( -0.5000000 0.5000000 0.1379310), wk = 0.0022026 k( 386) = ( -0.5000000 0.5000000 0.1206897), wk = 0.0022026 k( 387) = ( -0.5000000 0.5000000 0.1034483), wk = 0.0022026 k( 388) = ( -0.5000000 0.5000000 0.0862069), wk = 0.0022026 k( 389) = ( -0.5000000 0.5000000 0.0689655), wk = 0.0022026 k( 390) = ( -0.5000000 0.5000000 0.0517241), wk = 0.0022026 k( 391) = ( -0.5000000 0.5000000 0.0344828), wk = 0.0022026 k( 392) = ( -0.5000000 0.5000000 0.0172414), wk = 0.0022026 k( 393) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0022026 k( 394) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022026 k( 395) = ( -0.0083333 0.0083333 0.5000000), wk = 0.0022026 k( 396) = ( -0.0166667 0.0166667 0.5000000), wk = 0.0022026 k( 397) = ( -0.0250000 0.0250000 0.5000000), wk = 0.0022026 k( 398) = ( -0.0333333 0.0333333 0.5000000), wk = 0.0022026 k( 399) = ( -0.0416667 0.0416667 0.5000000), wk = 0.0022026 k( 400) = ( -0.0500000 0.0500000 0.5000000), wk = 0.0022026 k( 401) = ( -0.0583333 0.0583333 0.5000000), wk = 0.0022026 k( 402) = ( -0.0666667 0.0666667 0.5000000), wk = 0.0022026 k( 403) = ( -0.0750000 0.0750000 0.5000000), wk = 0.0022026 k( 404) = ( -0.0833333 0.0833333 0.5000000), wk = 0.0022026 k( 405) = ( -0.0916667 0.0916667 0.5000000), wk = 0.0022026 k( 406) = ( -0.1000000 0.1000000 0.5000000), wk = 0.0022026 k( 407) = ( -0.1083333 0.1083333 0.5000000), wk = 0.0022026 k( 408) = ( -0.1166667 0.1166667 0.5000000), wk = 0.0022026 k( 409) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0022026 k( 410) = ( -0.1333333 0.1333333 0.5000000), wk = 0.0022026 k( 411) = ( -0.1416667 0.1416667 0.5000000), wk = 0.0022026 k( 412) = ( -0.1500000 0.1500000 0.5000000), wk = 0.0022026 k( 413) = ( -0.1583333 0.1583333 0.5000000), wk = 0.0022026 k( 414) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0022026 k( 415) = ( -0.1750000 0.1750000 0.5000000), wk = 0.0022026 k( 416) = ( -0.1833333 0.1833333 0.5000000), wk = 0.0022026 k( 417) = ( -0.1916667 0.1916667 0.5000000), wk = 0.0022026 k( 418) = ( -0.2000000 0.2000000 0.5000000), wk = 0.0022026 k( 419) = ( -0.2083333 0.2083333 0.5000000), wk = 0.0022026 k( 420) = ( -0.2166667 0.2166667 0.5000000), wk = 0.0022026 k( 421) = ( -0.2250000 0.2250000 0.5000000), wk = 0.0022026 k( 422) = ( -0.2333333 0.2333333 0.5000000), wk = 0.0022026 k( 423) = ( -0.2416667 0.2416667 0.5000000), wk = 0.0022026 k( 424) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0022026 k( 425) = ( -0.2583333 0.2583333 0.5000000), wk = 0.0022026 k( 426) = ( -0.2666667 0.2666667 0.5000000), wk = 0.0022026 k( 427) = ( -0.2750000 0.2750000 0.5000000), wk = 0.0022026 k( 428) = ( -0.2833333 0.2833333 0.5000000), wk = 0.0022026 k( 429) = ( -0.2916667 0.2916667 0.5000000), wk = 0.0022026 k( 430) = ( -0.3000000 0.3000000 0.5000000), wk = 0.0022026 k( 431) = ( -0.3083333 0.3083333 0.5000000), wk = 0.0022026 k( 432) = ( -0.3166667 0.3166667 0.5000000), wk = 0.0022026 k( 433) = ( -0.3250000 0.3250000 0.5000000), wk = 0.0022026 k( 434) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0022026 k( 435) = ( -0.3416667 0.3416667 0.5000000), wk = 0.0022026 k( 436) = ( -0.3500000 0.3500000 0.5000000), wk = 0.0022026 k( 437) = ( -0.3583333 0.3583333 0.5000000), wk = 0.0022026 k( 438) = ( -0.3666667 0.3666667 0.5000000), wk = 0.0022026 k( 439) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0022026 k( 440) = ( -0.3833333 0.3833333 0.5000000), wk = 0.0022026 k( 441) = ( -0.3916667 0.3916667 0.5000000), wk = 0.0022026 k( 442) = ( -0.4000000 0.4000000 0.5000000), wk = 0.0022026 k( 443) = ( -0.4083333 0.4083333 0.5000000), wk = 0.0022026 k( 444) = ( -0.4166667 0.4166667 0.5000000), wk = 0.0022026 k( 445) = ( -0.4250000 0.4250000 0.5000000), wk = 0.0022026 k( 446) = ( -0.4333333 0.4333333 0.5000000), wk = 0.0022026 k( 447) = ( -0.4416667 0.4416667 0.5000000), wk = 0.0022026 k( 448) = ( -0.4500000 0.4500000 0.5000000), wk = 0.0022026 k( 449) = ( -0.4583333 0.4583333 0.5000000), wk = 0.0022026 k( 450) = ( -0.4666667 0.4666667 0.5000000), wk = 0.0022026 k( 451) = ( -0.4750000 0.4750000 0.5000000), wk = 0.0022026 k( 452) = ( -0.4833333 0.4833333 0.5000000), wk = 0.0022026 k( 453) = ( -0.4916667 0.4916667 0.5000000), wk = 0.0022026 k( 454) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022026 Dense grid: 31959 G-vectors FFT dimensions: ( 36, 36, 54) Smooth grid: 21613 G-vectors FFT dimensions: ( 32, 32, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.07 Mb ( 132, 36) NL pseudopotentials 0.10 Mb ( 66, 96) Each V/rho on FFT grid 0.04 Mb ( 2592) Each G-vector array 0.01 Mb ( 668) G-vector shells 0.00 Mb ( 344) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.29 Mb ( 132, 144) Each subspace H/S matrix 0.32 Mb ( 144, 144) Each matrix 0.11 Mb ( 96, 2, 36) The potential is recalculated from file : ./FeSe.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.1 secs Computing kpt #: 2 total cpu time spent up to now is 41.8 secs Computing kpt #: 3 total cpu time spent up to now is 42.5 secs Computing kpt #: 4 total cpu time spent up to now is 43.3 secs Computing kpt #: 5 total cpu time spent up to now is 44.0 secs Computing kpt #: 6 total cpu time spent up to now is 44.6 secs Computing kpt #: 7 total cpu time spent up to now is 45.3 secs Computing kpt #: 8 total cpu time spent up to now is 45.8 secs Computing kpt #: 9 total cpu time spent up to now is 46.4 secs Computing kpt #: 10 total cpu time spent up to now is 46.9 secs Computing kpt #: 11 total cpu time spent up to now is 47.5 secs Computing kpt #: 12 total cpu time spent up to now is 48.0 secs Computing kpt #: 13 total cpu time spent up to now is 48.6 secs Computing kpt #: 14 total cpu time spent up to now is 49.1 secs Computing kpt #: 15 total cpu time spent up to now is 49.7 secs Computing kpt #: 16 total cpu time spent up to now is 50.2 secs Computing kpt #: 17 total cpu time spent up to now is 50.8 secs Computing kpt #: 18 total cpu time spent up to now is 51.3 secs Computing kpt #: 19 total cpu time spent up to now is 51.9 secs Computing kpt #: 20 total cpu time spent up to now is 52.4 secs Computing kpt #: 21 total cpu time spent up to now is 53.0 secs Computing kpt #: 22 total cpu time spent up to now is 53.5 secs Computing kpt #: 23 total cpu time spent up to now is 54.1 secs Computing kpt #: 24 total cpu time spent up to now is 54.7 secs Computing kpt #: 25 total cpu time spent up to now is 55.6 secs Computing kpt #: 26 total cpu time spent up to now is 56.3 secs Computing kpt #: 27 total cpu time spent up to now is 57.1 secs Computing kpt #: 28 total cpu time spent up to now is 57.8 secs Computing kpt #: 29 total cpu time spent up to now is 58.4 secs Computing kpt #: 30 total cpu time spent up to now is 58.9 secs Computing kpt #: 31 total cpu time spent up to now is 59.5 secs Computing kpt #: 32 total cpu time spent up to now is 60.1 secs Computing kpt #: 33 total cpu time spent up to now is 60.7 secs Computing kpt #: 34 total cpu time spent up to now is 61.5 secs Computing kpt #: 35 total cpu time spent up to now is 62.0 secs Computing kpt #: 36 total cpu time spent up to now is 62.5 secs Computing kpt #: 37 total cpu time spent up to now is 63.1 secs Computing kpt #: 38 total cpu time spent up to now is 64.7 secs Computing kpt #: 39 total cpu time spent up to now is 65.2 secs Computing kpt #: 40 total cpu time spent up to now is 65.7 secs Computing kpt #: 41 total cpu time spent up to now is 66.4 secs Computing kpt #: 42 total cpu time spent up to now is 67.0 secs Computing kpt #: 43 total cpu time spent up to now is 67.6 secs Computing kpt #: 44 total cpu time spent up to now is 68.2 secs Computing kpt #: 45 total cpu time spent up to now is 68.9 secs Computing kpt #: 46 total cpu time spent up to now is 69.5 secs Computing kpt #: 47 total cpu time spent up to now is 70.0 secs Computing kpt #: 48 total cpu time spent up to now is 70.6 secs Computing kpt #: 49 total cpu time spent up to now is 71.2 secs Computing kpt #: 50 total cpu time spent up to now is 71.7 secs Computing kpt #: 51 total cpu time spent up to now is 72.3 secs Computing kpt #: 52 total cpu time spent up to now is 72.9 secs Computing kpt #: 53 total cpu time spent up to now is 74.1 secs Computing kpt #: 54 total cpu time spent up to now is 74.8 secs Computing kpt #: 55 total cpu time spent up to now is 75.5 secs Computing kpt #: 56 total cpu time spent up to now is 76.3 secs Computing kpt #: 57 total cpu time spent up to now is 77.1 secs Computing kpt #: 58 total cpu time spent up to now is 77.8 secs Computing kpt #: 59 total cpu time spent up to now is 78.6 secs Computing kpt #: 60 total cpu time spent up to now is 79.5 secs Computing kpt #: 61 total cpu time spent up to now is 80.9 secs Computing kpt #: 62 total cpu time spent up to now is 81.7 secs Computing kpt #: 63 total cpu time spent up to now is 82.5 secs Computing kpt #: 64 total cpu time spent up to now is 83.3 secs Computing kpt #: 65 total cpu time spent up to now is 84.0 secs Computing kpt #: 66 total cpu time spent up to now is 85.5 secs Computing kpt #: 67 total cpu time spent up to now is 86.2 secs Computing kpt #: 68 total cpu time spent up to now is 86.9 secs Computing kpt #: 69 total cpu time spent up to now is 87.6 secs Computing kpt #: 70 total cpu time spent up to now is 88.5 secs Computing kpt #: 71 total cpu time spent up to now is 89.2 secs Computing kpt #: 72 total cpu time spent up to now is 89.8 secs Computing kpt #: 73 total cpu time spent up to now is 90.3 secs Computing kpt #: 74 total cpu time spent up to now is 90.9 secs Computing kpt #: 75 total cpu time spent up to now is 91.5 secs Computing kpt #: 76 total cpu time spent up to now is 92.1 secs Computing kpt #: 77 total cpu time spent up to now is 92.8 secs Computing kpt #: 78 total cpu time spent up to now is 93.4 secs Computing kpt #: 79 total cpu time spent up to now is 93.9 secs Computing kpt #: 80 total cpu time spent up to now is 94.5 secs Computing kpt #: 81 total cpu time spent up to now is 95.3 secs Computing kpt #: 82 total cpu time spent up to now is 95.9 secs Computing kpt #: 83 total cpu time spent up to now is 96.4 secs Computing kpt #: 84 total cpu time spent up to now is 96.9 secs Computing kpt #: 85 total cpu time spent up to now is 97.5 secs Computing kpt #: 86 total cpu time spent up to now is 98.0 secs Computing kpt #: 87 total cpu time spent up to now is 98.5 secs Computing kpt #: 88 total cpu time spent up to now is 99.0 secs Computing kpt #: 89 total cpu time spent up to now is 99.7 secs Computing kpt #: 90 total cpu time spent up to now is 100.3 secs Computing kpt #: 91 total cpu time spent up to now is 101.2 secs Computing kpt #: 92 total cpu time spent up to now is 101.8 secs Computing kpt #: 93 total cpu time spent up to now is 102.4 secs Computing kpt #: 94 total cpu time spent up to now is 103.0 secs Computing kpt #: 95 total cpu time spent up to now is 103.4 secs Computing kpt #: 96 total cpu time spent up to now is 103.9 secs Computing kpt #: 97 total cpu time spent up to now is 104.4 secs Computing kpt #: 98 total cpu time spent up to now is 104.9 secs Computing kpt #: 99 total cpu time spent up to now is 105.6 secs Computing kpt #: 100 total cpu time spent up to now is 106.1 secs Computing kpt #: 101 total cpu time spent up to now is 106.5 secs Computing kpt #: 102 total cpu time spent up to now is 107.0 secs Computing kpt #: 103 total cpu time spent up to now is 107.5 secs Computing kpt #: 104 total cpu time spent up to now is 108.0 secs Computing kpt #: 105 total cpu time spent up to now is 108.5 secs Computing kpt #: 106 total cpu time spent up to now is 109.3 secs Computing kpt #: 107 total cpu time spent up to now is 109.8 secs Computing kpt #: 108 total cpu time spent up to now is 110.4 secs Computing kpt #: 109 total cpu time spent up to now is 111.0 secs Computing kpt #: 110 total cpu time spent up to now is 111.5 secs Computing kpt #: 111 total cpu time spent up to now is 112.0 secs Computing kpt #: 112 total cpu time spent up to now is 112.5 secs Computing kpt #: 113 total cpu time spent up to now is 113.0 secs Computing kpt #: 114 total cpu time spent up to now is 113.6 secs Computing kpt #: 115 total cpu time spent up to now is 114.5 secs Computing kpt #: 116 total cpu time spent up to now is 115.1 secs Computing kpt #: 117 total cpu time spent up to now is 115.6 secs Computing kpt #: 118 total cpu time spent up to now is 116.1 secs Computing kpt #: 119 total cpu time spent up to now is 116.7 secs Computing kpt #: 120 total cpu time spent up to now is 117.2 secs Computing kpt #: 121 total cpu time spent up to now is 117.9 secs Computing kpt #: 122 total cpu time spent up to now is 118.8 secs Computing kpt #: 123 total cpu time spent up to now is 119.3 secs Computing kpt #: 124 total cpu time spent up to now is 119.8 secs Computing kpt #: 125 total cpu time spent up to now is 120.3 secs Computing kpt #: 126 total cpu time spent up to now is 120.9 secs Computing kpt #: 127 total cpu time spent up to now is 121.4 secs Computing kpt #: 128 total cpu time spent up to now is 121.9 secs Computing kpt #: 129 total cpu time spent up to now is 122.5 secs Computing kpt #: 130 total cpu time spent up to now is 123.1 secs Computing kpt #: 131 total cpu time spent up to now is 123.6 secs Computing kpt #: 132 total cpu time spent up to now is 124.1 secs Computing kpt #: 133 total cpu time spent up to now is 124.7 secs Computing kpt #: 134 total cpu time spent up to now is 125.2 secs Computing kpt #: 135 total cpu time spent up to now is 125.7 secs Computing kpt #: 136 total cpu time spent up to now is 126.2 secs Computing kpt #: 137 total cpu time spent up to now is 126.7 secs Computing kpt #: 138 total cpu time spent up to now is 127.4 secs Computing kpt #: 139 total cpu time spent up to now is 128.0 secs Computing kpt #: 140 total cpu time spent up to now is 128.6 secs Computing kpt #: 141 total cpu time spent up to now is 129.1 secs Computing kpt #: 142 total cpu time spent up to now is 129.7 secs Computing kpt #: 143 total cpu time spent up to now is 130.2 secs Computing kpt #: 144 total cpu time spent up to now is 130.7 secs Computing kpt #: 145 total cpu time spent up to now is 131.2 secs Computing kpt #: 146 total cpu time spent up to now is 131.7 secs Computing kpt #: 147 total cpu time spent up to now is 132.2 secs Computing kpt #: 148 total cpu time spent up to now is 132.7 secs Computing kpt #: 149 total cpu time spent up to now is 133.2 secs Computing kpt #: 150 total cpu time spent up to now is 133.8 secs Computing kpt #: 151 total cpu time spent up to now is 134.3 secs Computing kpt #: 152 total cpu time spent up to now is 134.9 secs Computing kpt #: 153 total cpu time spent up to now is 135.4 secs Computing kpt #: 154 total cpu time spent up to now is 135.9 secs Computing kpt #: 155 total cpu time spent up to now is 136.4 secs Computing kpt #: 156 total cpu time spent up to now is 136.9 secs Computing kpt #: 157 total cpu time spent up to now is 137.5 secs Computing kpt #: 158 total cpu time spent up to now is 138.0 secs Computing kpt #: 159 total cpu time spent up to now is 138.5 secs Computing kpt #: 160 total cpu time spent up to now is 139.2 secs Computing kpt #: 161 total cpu time spent up to now is 139.8 secs Computing kpt #: 162 total cpu time spent up to now is 140.6 secs Computing kpt #: 163 total cpu time spent up to now is 141.3 secs Computing kpt #: 164 total cpu time spent up to now is 141.9 secs Computing kpt #: 165 total cpu time spent up to now is 142.5 secs Computing kpt #: 166 total cpu time spent up to now is 143.0 secs Computing kpt #: 167 total cpu time spent up to now is 143.5 secs Computing kpt #: 168 total cpu time spent up to now is 144.1 secs Computing kpt #: 169 total cpu time spent up to now is 144.6 secs Computing kpt #: 170 total cpu time spent up to now is 145.2 secs Computing kpt #: 171 total cpu time spent up to now is 146.1 secs Computing kpt #: 172 total cpu time spent up to now is 146.7 secs Computing kpt #: 173 total cpu time spent up to now is 147.2 secs Computing kpt #: 174 total cpu time spent up to now is 147.7 secs Computing kpt #: 175 total cpu time spent up to now is 148.2 secs Computing kpt #: 176 total cpu time spent up to now is 148.7 secs Computing kpt #: 177 total cpu time spent up to now is 149.3 secs Computing kpt #: 178 total cpu time spent up to now is 149.8 secs Computing kpt #: 179 total cpu time spent up to now is 150.3 secs Computing kpt #: 180 total cpu time spent up to now is 150.8 secs Computing kpt #: 181 total cpu time spent up to now is 151.5 secs Computing kpt #: 182 total cpu time spent up to now is 152.0 secs Computing kpt #: 183 total cpu time spent up to now is 152.6 secs Computing kpt #: 184 total cpu time spent up to now is 153.1 secs Computing kpt #: 185 total cpu time spent up to now is 153.7 secs Computing kpt #: 186 total cpu time spent up to now is 154.2 secs Computing kpt #: 187 total cpu time spent up to now is 154.7 secs Computing kpt #: 188 total cpu time spent up to now is 155.3 secs Computing kpt #: 189 total cpu time spent up to now is 155.9 secs Computing kpt #: 190 total cpu time spent up to now is 156.4 secs Computing kpt #: 191 total cpu time spent up to now is 157.1 secs Computing kpt #: 192 total cpu time spent up to now is 157.8 secs Computing kpt #: 193 total cpu time spent up to now is 158.4 secs Computing kpt #: 194 total cpu time spent up to now is 159.0 secs Computing kpt #: 195 total cpu time spent up to now is 159.5 secs Computing kpt #: 196 total cpu time spent up to now is 160.0 secs Computing kpt #: 197 total cpu time spent up to now is 160.5 secs Computing kpt #: 198 total cpu time spent up to now is 161.0 secs Computing kpt #: 199 total cpu time spent up to now is 161.5 secs Computing kpt #: 200 total cpu time spent up to now is 162.0 secs Computing kpt #: 201 total cpu time spent up to now is 162.5 secs Computing kpt #: 202 total cpu time spent up to now is 163.0 secs Computing kpt #: 203 total cpu time spent up to now is 163.7 secs Computing kpt #: 204 total cpu time spent up to now is 164.5 secs Computing kpt #: 205 total cpu time spent up to now is 165.0 secs Computing kpt #: 206 total cpu time spent up to now is 165.5 secs Computing kpt #: 207 total cpu time spent up to now is 166.2 secs Computing kpt #: 208 total cpu time spent up to now is 166.8 secs Computing kpt #: 209 total cpu time spent up to now is 167.6 secs Computing kpt #: 210 total cpu time spent up to now is 168.4 secs Computing kpt #: 211 total cpu time spent up to now is 169.2 secs Computing kpt #: 212 total cpu time spent up to now is 169.8 secs Computing kpt #: 213 total cpu time spent up to now is 170.3 secs Computing kpt #: 214 total cpu time spent up to now is 170.8 secs Computing kpt #: 215 total cpu time spent up to now is 171.3 secs Computing kpt #: 216 total cpu time spent up to now is 171.8 secs Computing kpt #: 217 total cpu time spent up to now is 172.3 secs Computing kpt #: 218 total cpu time spent up to now is 172.8 secs Computing kpt #: 219 total cpu time spent up to now is 173.3 secs Computing kpt #: 220 total cpu time spent up to now is 173.8 secs Computing kpt #: 221 total cpu time spent up to now is 174.7 secs Computing kpt #: 222 total cpu time spent up to now is 175.2 secs Computing kpt #: 223 total cpu time spent up to now is 175.7 secs Computing kpt #: 224 total cpu time spent up to now is 176.2 secs Computing kpt #: 225 total cpu time spent up to now is 176.7 secs Computing kpt #: 226 total cpu time spent up to now is 177.3 secs Computing kpt #: 227 total cpu time spent up to now is 177.8 secs Computing kpt #: 228 total cpu time spent up to now is 178.5 secs Computing kpt #: 229 total cpu time spent up to now is 179.1 secs Computing kpt #: 230 total cpu time spent up to now is 179.6 secs Computing kpt #: 231 total cpu time spent up to now is 180.2 secs Computing kpt #: 232 total cpu time spent up to now is 180.8 secs Computing kpt #: 233 total cpu time spent up to now is 181.5 secs Computing kpt #: 234 total cpu time spent up to now is 182.2 secs Computing kpt #: 235 total cpu time spent up to now is 182.9 secs Computing kpt #: 236 total cpu time spent up to now is 183.6 secs Computing kpt #: 237 total cpu time spent up to now is 184.2 secs Computing kpt #: 238 total cpu time spent up to now is 184.8 secs Computing kpt #: 239 total cpu time spent up to now is 185.4 secs Computing kpt #: 240 total cpu time spent up to now is 186.0 secs Computing kpt #: 241 total cpu time spent up to now is 186.5 secs Computing kpt #: 242 total cpu time spent up to now is 187.1 secs Computing kpt #: 243 total cpu time spent up to now is 187.9 secs Computing kpt #: 244 total cpu time spent up to now is 188.5 secs Computing kpt #: 245 total cpu time spent up to now is 189.1 secs Computing kpt #: 246 total cpu time spent up to now is 189.7 secs Computing kpt #: 247 total cpu time spent up to now is 190.3 secs Computing kpt #: 248 total cpu time spent up to now is 190.9 secs Computing kpt #: 249 total cpu time spent up to now is 191.5 secs Computing kpt #: 250 total cpu time spent up to now is 192.2 secs Computing kpt #: 251 total cpu time spent up to now is 192.9 secs Computing kpt #: 252 total cpu time spent up to now is 193.6 secs Computing kpt #: 253 total cpu time spent up to now is 194.4 secs Computing kpt #: 254 total cpu time spent up to now is 195.1 secs Computing kpt #: 255 total cpu time spent up to now is 195.8 secs Computing kpt #: 256 total cpu time spent up to now is 196.5 secs Computing kpt #: 257 total cpu time spent up to now is 197.1 secs Computing kpt #: 258 total cpu time spent up to now is 197.8 secs Computing kpt #: 259 total cpu time spent up to now is 198.5 secs Computing kpt #: 260 total cpu time spent up to now is 199.3 secs Computing kpt #: 261 total cpu time spent up to now is 200.1 secs Computing kpt #: 262 total cpu time spent up to now is 201.0 secs Computing kpt #: 263 total cpu time spent up to now is 201.7 secs Computing kpt #: 264 total cpu time spent up to now is 202.5 secs Computing kpt #: 265 total cpu time spent up to now is 203.3 secs Computing kpt #: 266 total cpu time spent up to now is 204.0 secs Computing kpt #: 267 total cpu time spent up to now is 204.7 secs Computing kpt #: 268 total cpu time spent up to now is 205.4 secs Computing kpt #: 269 total cpu time spent up to now is 206.1 secs Computing kpt #: 270 total cpu time spent up to now is 206.9 secs Computing kpt #: 271 total cpu time spent up to now is 207.8 secs Computing kpt #: 272 total cpu time spent up to now is 208.4 secs Computing kpt #: 273 total cpu time spent up to now is 209.0 secs Computing kpt #: 274 total cpu time spent up to now is 209.7 secs Computing kpt #: 275 total cpu time spent up to now is 210.3 secs Computing kpt #: 276 total cpu time spent up to now is 211.1 secs Computing kpt #: 277 total cpu time spent up to now is 211.7 secs Computing kpt #: 278 total cpu time spent up to now is 212.3 secs Computing kpt #: 279 total cpu time spent up to now is 212.8 secs Computing kpt #: 280 total cpu time spent up to now is 213.4 secs Computing kpt #: 281 total cpu time spent up to now is 213.9 secs Computing kpt #: 282 total cpu time spent up to now is 214.5 secs Computing kpt #: 283 total cpu time spent up to now is 215.0 secs Computing kpt #: 284 total cpu time spent up to now is 215.6 secs Computing kpt #: 285 total cpu time spent up to now is 216.1 secs Computing kpt #: 286 total cpu time spent up to now is 216.7 secs Computing kpt #: 287 total cpu time spent up to now is 217.3 secs Computing kpt #: 288 total cpu time spent up to now is 218.1 secs Computing kpt #: 289 total cpu time spent up to now is 219.0 secs Computing kpt #: 290 total cpu time spent up to now is 219.5 secs Computing kpt #: 291 total cpu time spent up to now is 220.5 secs Computing kpt #: 292 total cpu time spent up to now is 221.1 secs Computing kpt #: 293 total cpu time spent up to now is 221.6 secs Computing kpt #: 294 total cpu time spent up to now is 222.2 secs Computing kpt #: 295 total cpu time spent up to now is 222.7 secs Computing kpt #: 296 total cpu time spent up to now is 223.2 secs Computing kpt #: 297 total cpu time spent up to now is 223.7 secs Computing kpt #: 298 total cpu time spent up to now is 224.1 secs Computing kpt #: 299 total cpu time spent up to now is 224.7 secs Computing kpt #: 300 total cpu time spent up to now is 225.2 secs Computing kpt #: 301 total cpu time spent up to now is 225.8 secs Computing kpt #: 302 total cpu time spent up to now is 226.4 secs Computing kpt #: 303 total cpu time spent up to now is 227.2 secs Computing kpt #: 304 total cpu time spent up to now is 227.9 secs Computing kpt #: 305 total cpu time spent up to now is 228.4 secs Computing kpt #: 306 total cpu time spent up to now is 228.9 secs Computing kpt #: 307 total cpu time spent up to now is 229.4 secs Computing kpt #: 308 total cpu time spent up to now is 229.9 secs Computing kpt #: 309 total cpu time spent up to now is 230.5 secs Computing kpt #: 310 total cpu time spent up to now is 231.1 secs Computing kpt #: 311 total cpu time spent up to now is 231.8 secs Computing kpt #: 312 total cpu time spent up to now is 232.4 secs Computing kpt #: 313 total cpu time spent up to now is 233.0 secs Computing kpt #: 314 total cpu time spent up to now is 233.7 secs Computing kpt #: 315 total cpu time spent up to now is 234.2 secs Computing kpt #: 316 total cpu time spent up to now is 234.8 secs Computing kpt #: 317 total cpu time spent up to now is 235.3 secs Computing kpt #: 318 total cpu time spent up to now is 236.0 secs Computing kpt #: 319 total cpu time spent up to now is 236.6 secs Computing kpt #: 320 total cpu time spent up to now is 237.2 secs Computing kpt #: 321 total cpu time spent up to now is 238.0 secs Computing kpt #: 322 total cpu time spent up to now is 238.5 secs Computing kpt #: 323 total cpu time spent up to now is 239.2 secs Computing kpt #: 324 total cpu time spent up to now is 239.9 secs Computing kpt #: 325 total cpu time spent up to now is 240.6 secs Computing kpt #: 326 total cpu time spent up to now is 241.4 secs Computing kpt #: 327 total cpu time spent up to now is 242.1 secs Computing kpt #: 328 total cpu time spent up to now is 242.7 secs Computing kpt #: 329 total cpu time spent up to now is 243.3 secs Computing kpt #: 330 total cpu time spent up to now is 244.0 secs Computing kpt #: 331 total cpu time spent up to now is 244.6 secs Computing kpt #: 332 total cpu time spent up to now is 245.2 secs Computing kpt #: 333 total cpu time spent up to now is 245.9 secs Computing kpt #: 334 total cpu time spent up to now is 246.5 secs Computing kpt #: 335 total cpu time spent up to now is 247.3 secs Computing kpt #: 336 total cpu time spent up to now is 247.9 secs Computing kpt #: 337 total cpu time spent up to now is 248.7 secs Computing kpt #: 338 total cpu time spent up to now is 249.4 secs Computing kpt #: 339 total cpu time spent up to now is 250.0 secs Computing kpt #: 340 total cpu time spent up to now is 250.6 secs Computing kpt #: 341 total cpu time spent up to now is 251.3 secs Computing kpt #: 342 total cpu time spent up to now is 251.9 secs Computing kpt #: 343 total cpu time spent up to now is 252.5 secs Computing kpt #: 344 total cpu time spent up to now is 253.1 secs Computing kpt #: 345 total cpu time spent up to now is 253.7 secs Computing kpt #: 346 total cpu time spent up to now is 254.4 secs Computing kpt #: 347 total cpu time spent up to now is 255.0 secs Computing kpt #: 348 total cpu time spent up to now is 255.8 secs Computing kpt #: 349 total cpu time spent up to now is 256.4 secs Computing kpt #: 350 total cpu time spent up to now is 257.0 secs Computing kpt #: 351 total cpu time spent up to now is 257.5 secs Computing kpt #: 352 total cpu time spent up to now is 258.0 secs Computing kpt #: 353 total cpu time spent up to now is 258.6 secs Computing kpt #: 354 total cpu time spent up to now is 259.1 secs Computing kpt #: 355 total cpu time spent up to now is 259.7 secs Computing kpt #: 356 total cpu time spent up to now is 260.2 secs Computing kpt #: 357 total cpu time spent up to now is 260.8 secs Computing kpt #: 358 total cpu time spent up to now is 261.5 secs Computing kpt #: 359 total cpu time spent up to now is 262.0 secs Computing kpt #: 360 total cpu time spent up to now is 262.6 secs Computing kpt #: 361 total cpu time spent up to now is 263.1 secs Computing kpt #: 362 total cpu time spent up to now is 263.6 secs Computing kpt #: 363 total cpu time spent up to now is 264.0 secs Computing kpt #: 364 total cpu time spent up to now is 264.5 secs Computing kpt #: 365 total cpu time spent up to now is 265.6 secs Computing kpt #: 366 total cpu time spent up to now is 266.1 secs Computing kpt #: 367 total cpu time spent up to now is 266.6 secs Computing kpt #: 368 total cpu time spent up to now is 267.1 secs Computing kpt #: 369 total cpu time spent up to now is 267.7 secs Computing kpt #: 370 total cpu time spent up to now is 268.2 secs Computing kpt #: 371 total cpu time spent up to now is 268.7 secs Computing kpt #: 372 total cpu time spent up to now is 269.3 secs Computing kpt #: 373 total cpu time spent up to now is 269.8 secs Computing kpt #: 374 total cpu time spent up to now is 270.4 secs Computing kpt #: 375 total cpu time spent up to now is 271.4 secs Computing kpt #: 376 total cpu time spent up to now is 272.1 secs Computing kpt #: 377 total cpu time spent up to now is 273.1 secs Computing kpt #: 378 total cpu time spent up to now is 273.7 secs Computing kpt #: 379 total cpu time spent up to now is 274.3 secs Computing kpt #: 380 total cpu time spent up to now is 274.9 secs Computing kpt #: 381 total cpu time spent up to now is 275.5 secs Computing kpt #: 382 total cpu time spent up to now is 276.1 secs Computing kpt #: 383 total cpu time spent up to now is 276.7 secs Computing kpt #: 384 total cpu time spent up to now is 277.5 secs Computing kpt #: 385 total cpu time spent up to now is 278.9 secs Computing kpt #: 386 total cpu time spent up to now is 279.8 secs Computing kpt #: 387 total cpu time spent up to now is 280.6 secs Computing kpt #: 388 total cpu time spent up to now is 281.3 secs Computing kpt #: 389 total cpu time spent up to now is 282.0 secs Computing kpt #: 390 total cpu time spent up to now is 282.6 secs Computing kpt #: 391 total cpu time spent up to now is 283.3 secs Computing kpt #: 392 total cpu time spent up to now is 284.0 secs Computing kpt #: 393 total cpu time spent up to now is 284.6 secs Computing kpt #: 394 total cpu time spent up to now is 285.2 secs Computing kpt #: 395 total cpu time spent up to now is 285.9 secs Computing kpt #: 396 total cpu time spent up to now is 286.5 secs Computing kpt #: 397 total cpu time spent up to now is 287.1 secs Computing kpt #: 398 total cpu time spent up to now is 287.8 secs Computing kpt #: 399 total cpu time spent up to now is 288.4 secs Computing kpt #: 400 total cpu time spent up to now is 289.1 secs Computing kpt #: 401 total cpu time spent up to now is 289.7 secs Computing kpt #: 402 total cpu time spent up to now is 290.3 secs Computing kpt #: 403 total cpu time spent up to now is 290.8 secs Computing kpt #: 404 total cpu time spent up to now is 291.4 secs Computing kpt #: 405 total cpu time spent up to now is 291.9 secs Computing kpt #: 406 total cpu time spent up to now is 292.5 secs Computing kpt #: 407 total cpu time spent up to now is 293.1 secs Computing kpt #: 408 total cpu time spent up to now is 293.6 secs Computing kpt #: 409 total cpu time spent up to now is 294.2 secs Computing kpt #: 410 total cpu time spent up to now is 294.7 secs Computing kpt #: 411 total cpu time spent up to now is 295.2 secs Computing kpt #: 412 total cpu time spent up to now is 295.8 secs Computing kpt #: 413 total cpu time spent up to now is 296.3 secs Computing kpt #: 414 total cpu time spent up to now is 296.8 secs Computing kpt #: 415 total cpu time spent up to now is 297.2 secs Computing kpt #: 416 total cpu time spent up to now is 297.9 secs Computing kpt #: 417 total cpu time spent up to now is 298.4 secs Computing kpt #: 418 total cpu time spent up to now is 299.0 secs Computing kpt #: 419 total cpu time spent up to now is 299.6 secs Computing kpt #: 420 total cpu time spent up to now is 300.4 secs Computing kpt #: 421 total cpu time spent up to now is 301.0 secs Computing kpt #: 422 total cpu time spent up to now is 301.5 secs Computing kpt #: 423 total cpu time spent up to now is 301.9 secs Computing kpt #: 424 total cpu time spent up to now is 302.4 secs Computing kpt #: 425 total cpu time spent up to now is 302.9 secs Computing kpt #: 426 total cpu time spent up to now is 303.4 secs Computing kpt #: 427 total cpu time spent up to now is 303.9 secs Computing kpt #: 428 total cpu time spent up to now is 304.5 secs Computing kpt #: 429 total cpu time spent up to now is 305.0 secs Computing kpt #: 430 total cpu time spent up to now is 305.6 secs Computing kpt #: 431 total cpu time spent up to now is 306.4 secs Computing kpt #: 432 total cpu time spent up to now is 307.2 secs Computing kpt #: 433 total cpu time spent up to now is 308.0 secs Computing kpt #: 434 total cpu time spent up to now is 308.6 secs Computing kpt #: 435 total cpu time spent up to now is 309.2 secs Computing kpt #: 436 total cpu time spent up to now is 309.9 secs Computing kpt #: 437 total cpu time spent up to now is 310.4 secs Computing kpt #: 438 total cpu time spent up to now is 311.0 secs Computing kpt #: 439 total cpu time spent up to now is 311.6 secs Computing kpt #: 440 total cpu time spent up to now is 312.2 secs Computing kpt #: 441 total cpu time spent up to now is 312.7 secs Computing kpt #: 442 total cpu time spent up to now is 313.3 secs Computing kpt #: 443 total cpu time spent up to now is 313.8 secs Computing kpt #: 444 total cpu time spent up to now is 314.3 secs Computing kpt #: 445 total cpu time spent up to now is 314.9 secs Computing kpt #: 446 total cpu time spent up to now is 315.4 secs Computing kpt #: 447 total cpu time spent up to now is 316.0 secs Computing kpt #: 448 total cpu time spent up to now is 316.7 secs Computing kpt #: 449 total cpu time spent up to now is 318.1 secs Computing kpt #: 450 total cpu time spent up to now is 318.8 secs Computing kpt #: 451 total cpu time spent up to now is 319.3 secs Computing kpt #: 452 total cpu time spent up to now is 319.8 secs Computing kpt #: 453 total cpu time spent up to now is 320.3 secs Computing kpt #: 454 total cpu time spent up to now is 320.8 secs ethr = 3.57E-11, avg # of iterations = 17.9 total cpu time spent up to now is 320.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2743 PWs) bands (ev): -7.8899 -7.8899 -5.7608 -5.7608 1.0840 1.0840 1.9055 1.9055 2.1350 2.1350 3.9305 3.9305 5.5145 5.5145 5.5169 5.5169 5.9205 5.9205 6.3150 6.3150 6.5840 6.5840 6.7269 6.7269 6.9812 6.9812 7.1323 7.1323 7.8121 7.8121 8.4753 8.4753 9.0223 9.0223 9.9257 9.9257 k = 0.0083 0.0083-0.0000 ( 2741 PWs) bands (ev): -7.8893 -7.8893 -5.7608 -5.7608 1.0847 1.0847 1.9049 1.9049 2.1351 2.1351 3.9287 3.9287 5.5139 5.5139 5.5171 5.5171 5.9206 5.9206 6.3148 6.3148 6.5822 6.5822 6.7265 6.7265 6.9845 6.9845 7.1306 7.1306 7.8119 7.8119 8.4732 8.4732 9.0157 9.0157 9.9365 9.9365 k = 0.0166 0.0167-0.0000 ( 2737 PWs) bands (ev): -7.8875 -7.8875 -5.7606 -5.7606 1.0868 1.0868 1.9033 1.9033 2.1353 2.1353 3.9231 3.9231 5.5114 5.5114 5.5182 5.5182 5.9209 5.9209 6.3143 6.3143 6.5770 6.5770 6.7254 6.7254 6.9941 6.9941 7.1262 7.1262 7.8112 7.8112 8.4664 8.4664 8.9967 8.9967 9.9678 9.9678 k = 0.0250 0.0250-0.0000 ( 2741 PWs) bands (ev): -7.8845 -7.8845 -5.7604 -5.7604 1.0903 1.0903 1.9004 1.9004 2.1357 2.1357 3.9137 3.9137 5.5068 5.5068 5.5203 5.5203 5.9212 5.9212 6.3135 6.3135 6.5690 6.5690 6.7233 6.7233 7.0089 7.0089 7.1191 7.1191 7.8100 7.8100 8.4551 8.4551 8.9679 8.9679 10.0157 10.0157 k = 0.0333 0.0333-0.0000 ( 2741 PWs) bands (ev): -7.8804 -7.8804 -5.7600 -5.7600 1.0952 1.0952 1.8965 1.8965 2.1362 2.1362 3.9008 3.9008 5.5005 5.5005 5.5233 5.5233 5.9215 5.9215 6.3123 6.3123 6.5590 6.5590 6.7205 6.7205 7.0278 7.0278 7.1103 7.1103 7.8083 7.8083 8.4391 8.4391 8.9323 8.9323 10.0488 10.0488 k = 0.0416 0.0417-0.0000 ( 2737 PWs) bands (ev): -7.8751 -7.8751 -5.7596 -5.7596 1.1015 1.1015 1.8913 1.8913 2.1370 2.1370 3.8844 3.8844 5.4926 5.4926 5.5272 5.5272 5.9214 5.9214 6.3109 6.3109 6.5478 6.5478 6.7167 6.7167 7.0469 7.0469 7.1025 7.1025 7.8063 7.8063 8.4181 8.4181 8.8928 8.8928 9.9614 9.9614 k = 0.0499 0.0500-0.0000 ( 2733 PWs) bands (ev): -7.8686 -7.8686 -5.7590 -5.7590 1.1091 1.1091 1.8851 1.8851 2.1380 2.1380 3.8647 3.8647 5.4831 5.4831 5.5321 5.5321 5.9207 5.9207 6.3093 6.3093 6.5361 6.5361 6.7121 6.7121 7.0554 7.0554 7.1063 7.1063 7.8038 7.8038 8.3920 8.3920 8.8516 8.8516 9.8640 9.8640 k = 0.0582 0.0583-0.0000 ( 2729 PWs) bands (ev): -7.8611 -7.8611 -5.7584 -5.7584 1.1182 1.1182 1.8777 1.8777 2.1392 2.1392 3.8417 3.8417 5.4721 5.4721 5.5379 5.5379 5.9192 5.9192 6.3077 6.3077 6.5245 6.5245 6.7066 6.7066 7.0460 7.0460 7.1284 7.1284 7.8010 7.8010 8.3605 8.3605 8.8101 8.8101 9.7708 9.7708 k = 0.0666 0.0667-0.0000 ( 2725 PWs) bands (ev): -7.8523 -7.8523 -5.7577 -5.7577 1.1285 1.1285 1.8691 1.8691 2.1406 2.1406 3.8156 3.8156 5.4598 5.4598 5.5446 5.5446 5.9165 5.9165 6.3061 6.3061 6.5134 6.5134 6.7002 6.7002 7.0288 7.0288 7.1585 7.1585 7.7976 7.7976 8.3235 8.3235 8.7697 8.7697 9.6835 9.6835 k = 0.0749 0.0750-0.0000 ( 2725 PWs) bands (ev): -7.8425 -7.8425 -5.7569 -5.7569 1.1401 1.1401 1.8595 1.8595 2.1424 2.1424 3.7868 3.7868 5.4462 5.4462 5.5522 5.5522 5.9123 5.9123 6.3047 6.3047 6.5031 6.5031 6.6927 6.6927 7.0084 7.0084 7.1919 7.1919 7.7938 7.7938 8.2810 8.2810 8.7309 8.7309 9.6026 9.6026 k = 0.0832 0.0833-0.0000 ( 2725 PWs) bands (ev): -7.8316 -7.8316 -5.7560 -5.7560 1.1530 1.1530 1.8487 1.8487 2.1443 2.1443 3.7553 3.7553 5.4314 5.4314 5.5606 5.5606 5.9061 5.9061 6.3036 6.3036 6.4939 6.4939 6.6844 6.6844 6.9862 6.9862 7.2271 7.2271 7.7895 7.7895 8.2330 8.2330 8.6943 8.6943 9.5285 9.5285 k = 0.0915 0.0917-0.0000 ( 2729 PWs) bands (ev): -7.8196 -7.8196 -5.7551 -5.7551 1.1671 1.1671 1.8368 1.8368 2.1466 2.1466 3.7215 3.7215 5.4156 5.4156 5.5698 5.5698 5.8978 5.8978 6.3030 6.3030 6.4859 6.4859 6.6750 6.6750 6.9633 6.9633 7.2633 7.2633 7.7847 7.7847 8.1797 8.1797 8.6602 8.6602 9.4612 9.4612 k = 0.0998 0.1000-0.0000 ( 2721 PWs) bands (ev): -7.8066 -7.8066 -5.7541 -5.7541 1.1823 1.1823 1.8239 1.8239 2.1493 2.1493 3.6856 3.6856 5.3988 5.3988 5.5798 5.5798 5.8869 5.8869 6.3030 6.3030 6.4794 6.4794 6.6645 6.6645 6.9401 6.9401 7.3001 7.3001 7.7797 7.7797 8.1218 8.1218 8.6286 8.6286 9.4006 9.4006 k = 0.1081 0.1083-0.0000 ( 2721 PWs) bands (ev): -7.7926 -7.7926 -5.7530 -5.7530 1.1987 1.1987 1.8099 1.8099 2.1522 2.1522 3.6478 3.6478 5.3810 5.3810 5.5903 5.5903 5.8734 5.8734 6.3038 6.3038 6.4744 6.4744 6.6529 6.6529 6.9171 6.9171 7.3373 7.3373 7.7741 7.7741 8.0597 8.0597 8.5997 8.5997 9.3464 9.3464 k = 0.1165 0.1167-0.0000 ( 2717 PWs) bands (ev): -7.7776 -7.7776 -5.7519 -5.7519 1.2162 1.2162 1.7950 1.7950 2.1556 2.1556 3.6083 3.6083 5.3623 5.3623 5.6012 5.6012 5.8569 5.8569 6.3053 6.3053 6.4710 6.4710 6.6400 6.6400 6.8947 6.8947 7.3745 7.3745 7.7680 7.7680 7.9945 7.9945 8.5735 8.5735 9.2980 9.2980 k = 0.1248 0.1250-0.0000 ( 2717 PWs) bands (ev): -7.7616 -7.7616 -5.7507 -5.7507 1.2346 1.2346 1.7791 1.7791 2.1593 2.1593 3.5675 3.5675 5.3428 5.3428 5.6125 5.6125 5.8376 5.8376 6.3077 6.3077 6.4692 6.4692 6.6259 6.6259 6.8733 6.8733 7.4116 7.4116 7.7609 7.7609 7.9273 7.9273 8.5497 8.5497 9.2548 9.2548 k = 0.1331 0.1333-0.0000 ( 2709 PWs) bands (ev): -7.7447 -7.7447 -5.7495 -5.7495 1.2540 1.2540 1.7625 1.7625 2.1633 2.1633 3.5255 3.5255 5.3226 5.3226 5.6239 5.6239 5.8154 5.8154 6.3108 6.3108 6.4692 6.4692 6.6104 6.6104 6.8531 6.8531 7.4485 7.4485 7.7517 7.7517 7.8603 7.8603 8.5285 8.5285 9.2163 9.2163 k = 0.1414 0.1417-0.0000 ( 2719 PWs) bands (ev): -7.7270 -7.7270 -5.7482 -5.7482 1.2742 1.2742 1.7450 1.7450 2.1676 2.1676 3.4826 3.4826 5.3015 5.3015 5.6349 5.6349 5.7907 5.7907 6.3146 6.3146 6.4710 6.4710 6.5933 6.5933 6.8343 6.8343 7.4850 7.4850 7.7346 7.7346 7.7999 7.7999 8.5096 8.5096 9.1819 9.1819 k = 0.1497 0.1500-0.0000 ( 2719 PWs) bands (ev): -7.7084 -7.7084 -5.7469 -5.7469 1.2951 1.2951 1.7269 1.7269 2.1724 2.1724 3.4390 3.4390 5.2800 5.2800 5.6453 5.6453 5.7640 5.7640 6.3189 6.3189 6.4746 6.4746 6.5746 6.5746 6.8172 6.8172 7.5210 7.5210 7.6916 7.6916 7.7654 7.7654 8.4929 8.4929 9.1510 9.1510 k = 0.1581 0.1583-0.0000 ( 2719 PWs) bands (ev): -7.6891 -7.6891 -5.7456 -5.7456 1.3166 1.3166 1.7083 1.7083 2.1775 2.1775 3.3949 3.3949 5.2578 5.2578 5.6537 5.6537 5.7365 5.7365 6.3235 6.3235 6.4800 6.4800 6.5544 6.5544 6.8017 6.8017 7.5560 7.5560 7.6287 7.6287 7.7518 7.7518 8.4784 8.4784 9.1231 9.1231 k = 0.1664 0.1667-0.0000 ( 2717 PWs) bands (ev): -7.6690 -7.6690 -5.7443 -5.7443 1.3384 1.3384 1.6894 1.6894 2.1830 2.1830 3.3505 3.3505 5.2351 5.2351 5.6563 5.6563 5.7123 5.7123 6.3281 6.3281 6.4867 6.4867 6.5328 6.5328 6.7880 6.7880 7.5577 7.5577 7.5948 7.5948 7.7436 7.7436 8.4659 8.4659 9.0978 9.0978 k = 0.1747 0.1750-0.0000 ( 2717 PWs) bands (ev): -7.6482 -7.6482 -5.7429 -5.7429 1.3603 1.3603 1.6705 1.6705 2.1889 2.1889 3.3061 3.3061 5.2120 5.2120 5.6432 5.6432 5.7013 5.7013 6.3327 6.3327 6.4908 6.4908 6.5136 6.5136 6.7760 6.7760 7.4928 7.4928 7.6272 7.6272 7.7375 7.7375 8.4554 8.4554 9.0747 9.0747 k = 0.1830 0.1833-0.0000 ( 2713 PWs) bands (ev): -7.6267 -7.6267 -5.7416 -5.7416 1.3819 1.3819 1.6519 1.6519 2.1952 2.1952 3.2618 3.2618 5.1884 5.1884 5.6148 5.6148 5.7033 5.7033 6.3369 6.3369 6.4746 6.4746 6.5145 6.5145 6.7657 6.7657 7.4284 7.4284 7.6594 7.6594 7.7336 7.7336 8.4467 8.4467 9.0535 9.0535 k = 0.1913 0.1917-0.0000 ( 2715 PWs) bands (ev): -7.6047 -7.6047 -5.7402 -5.7402 1.4024 1.4024 1.6344 1.6344 2.2018 2.2018 3.2178 3.2178 5.1645 5.1645 5.5803 5.5803 5.7093 5.7093 6.3404 6.3404 6.4470 6.4470 6.5265 6.5265 6.7571 6.7571 7.3664 7.3664 7.6862 7.6862 7.7359 7.7359 8.4399 8.4399 9.0339 9.0339 k = 0.1997 0.2000-0.0000 ( 2719 PWs) bands (ev): -7.5821 -7.5821 -5.7389 -5.7389 1.4208 1.4208 1.6191 1.6191 2.2087 2.2087 3.1742 3.1742 5.1403 5.1403 5.5434 5.5434 5.7157 5.7157 6.3427 6.3427 6.4164 6.4164 6.5412 6.5412 6.7501 6.7501 7.3078 7.3078 7.6984 7.6984 7.7532 7.7532 8.4347 8.4347 9.0157 9.0157 k = 0.2080 0.2083-0.0000 ( 2715 PWs) bands (ev): -7.5590 -7.5590 -5.7376 -5.7376 1.4353 1.4353 1.6077 1.6077 2.2160 2.2160 3.1312 3.1312 5.1159 5.1159 5.5052 5.5052 5.7216 5.7216 6.3413 6.3413 6.3861 6.3861 6.5576 6.5576 6.7447 6.7447 7.2528 7.2528 7.6987 7.6987 7.7832 7.7832 8.4313 8.4313 8.9987 8.9987 k = 0.2163 0.2167-0.0000 ( 2723 PWs) bands (ev): -7.5355 -7.5355 -5.7362 -5.7362 1.4433 1.4433 1.6028 1.6028 2.2236 2.2236 3.0889 3.0889 5.0912 5.0912 5.4663 5.4663 5.7264 5.7264 6.3257 6.3257 6.3666 6.3666 6.5751 6.5751 6.7409 6.7409 7.2018 7.2018 7.6954 7.6954 7.8178 7.8178 8.4296 8.4296 8.9827 8.9827 k = 0.2246 0.2250-0.0000 ( 2731 PWs) bands (ev): -7.5116 -7.5116 -5.7350 -5.7350 1.4430 1.4430 1.6063 1.6063 2.2315 2.2315 3.0474 3.0474 5.0665 5.0665 5.4272 5.4272 5.7301 5.7301 6.2916 6.2916 6.3623 6.3623 6.5932 6.5932 6.7387 6.7387 7.1548 7.1548 7.6911 7.6911 7.8546 7.8546 8.4295 8.4295 8.9678 8.9678 k = 0.2329 0.2333-0.0000 ( 2727 PWs) bands (ev): -7.4874 -7.4874 -5.7337 -5.7337 1.4345 1.4345 1.6180 1.6180 2.2398 2.2398 3.0069 3.0069 5.0416 5.0416 5.3881 5.3881 5.7325 5.7325 6.2505 6.2505 6.3624 6.3624 6.6117 6.6117 6.7383 6.7383 7.1119 7.1119 7.6868 7.6868 7.8932 7.8932 8.4310 8.4310 8.9536 8.9536 k = 0.2412 0.2417-0.0000 ( 2721 PWs) bands (ev): -7.4629 -7.4629 -5.7325 -5.7325 1.4200 1.4200 1.6358 1.6358 2.2483 2.2483 2.9675 2.9675 5.0168 5.0168 5.3493 5.3493 5.7335 5.7335 6.2060 6.2060 6.3633 6.3633 6.6298 6.6298 6.7397 6.7397 7.0731 7.0731 7.6826 7.6826 7.9334 7.9334 8.4342 8.4342 8.9403 8.9403 k = 0.2496 0.2500-0.0000 ( 2725 PWs) bands (ev): -7.4382 -7.4382 -5.7313 -5.7313 1.4017 1.4017 1.6574 1.6574 2.2571 2.2571 2.9292 2.9292 4.9920 4.9920 5.3109 5.3109 5.7330 5.7330 6.1592 6.1592 6.3641 6.3641 6.6470 6.6470 6.7430 6.7430 7.0379 7.0379 7.6786 7.6786 7.9757 7.9757 8.4391 8.4391 8.9276 8.9276 k = 0.2579 0.2583-0.0000 ( 2717 PWs) bands (ev): -7.4135 -7.4135 -5.7301 -5.7301 1.3810 1.3810 1.6813 1.6813 2.2661 2.2661 2.8920 2.8920 4.9673 4.9673 5.2731 5.2731 5.7310 5.7310 6.1110 6.1110 6.3646 6.3646 6.6628 6.6628 6.7488 6.7488 7.0064 7.0064 7.6750 7.6750 8.0201 8.0201 8.4456 8.4456 8.9155 8.9155 k = 0.2662 0.2667-0.0000 ( 2719 PWs) bands (ev): -7.3886 -7.3886 -5.7290 -5.7290 1.3589 1.3589 1.7067 1.7067 2.2753 2.2753 2.8562 2.8562 4.9427 4.9427 5.2361 5.2361 5.7274 5.7274 6.0616 6.0616 6.3648 6.3648 6.6766 6.6766 6.7568 6.7568 6.9779 6.9779 7.6717 7.6717 8.0670 8.0670 8.4537 8.4537 8.9040 8.9040 k = 0.2745 0.2750-0.0000 ( 2715 PWs) bands (ev): -7.3638 -7.3638 -5.7279 -5.7279 1.3359 1.3359 1.7329 1.7329 2.2847 2.2847 2.8217 2.8217 4.9184 4.9184 5.1999 5.1999 5.7223 5.7223 6.0115 6.0115 6.3647 6.3647 6.6884 6.6884 6.7671 6.7671 6.9523 6.9523 7.6689 7.6689 8.1166 8.1166 8.4635 8.4635 8.8930 8.8930 k = 0.2828 0.2833-0.0000 ( 2713 PWs) bands (ev): -7.3391 -7.3391 -5.7269 -5.7269 1.3125 1.3125 1.7595 1.7595 2.2942 2.2942 2.7886 2.7886 4.8943 4.8943 5.1648 5.1648 5.7157 5.7157 5.9613 5.9613 6.3641 6.3641 6.6984 6.6984 6.7789 6.7789 6.9294 6.9294 7.6665 7.6665 8.1691 8.1691 8.4751 8.4751 8.8826 8.8826 k = 0.2912 0.2917-0.0000 ( 2697 PWs) bands (ev): -7.3145 -7.3145 -5.7259 -5.7259 1.2889 1.2889 1.7864 1.7864 2.3038 2.3038 2.7569 2.7569 4.8705 4.8705 5.1308 5.1308 5.7075 5.7075 5.9113 5.9113 6.3634 6.3634 6.7071 6.7071 6.7917 6.7917 6.9088 6.9088 7.6647 7.6647 8.2248 8.2248 8.4885 8.4885 8.8727 8.8727 k = 0.2995 0.3000-0.0000 ( 2695 PWs) bands (ev): -7.2901 -7.2901 -5.7250 -5.7250 1.2653 1.2653 1.8132 1.8132 2.3135 2.3135 2.7266 2.7266 4.8470 4.8470 5.0980 5.0980 5.6977 5.6977 5.8619 5.8619 6.3621 6.3621 6.7151 6.7151 6.8046 6.8046 6.8903 6.8903 7.6632 7.6632 8.2836 8.2836 8.5036 8.5036 8.8632 8.8632 k = 0.3078 0.3083-0.0000 ( 2693 PWs) bands (ev): -7.2660 -7.2660 -5.7241 -5.7241 1.2419 1.2419 1.8399 1.8399 2.3232 2.3232 2.6978 2.6978 4.8240 4.8240 5.0664 5.0664 5.6863 5.6863 5.8134 5.8134 6.3605 6.3605 6.7226 6.7226 6.8170 6.8170 6.8738 6.8738 7.6621 7.6621 8.3458 8.3458 8.5206 8.5206 8.8542 8.8542 k = 0.3161 0.3167-0.0000 ( 2685 PWs) bands (ev): -7.2423 -7.2423 -5.7233 -5.7233 1.2187 1.2187 1.8664 1.8664 2.3329 2.3329 2.6704 2.6704 4.8014 4.8014 5.0361 5.0361 5.6730 5.6730 5.7666 5.7666 6.3586 6.3586 6.7301 6.7301 6.8283 6.8283 6.8597 6.8597 7.6615 7.6615 8.4113 8.4113 8.5397 8.5397 8.8457 8.8457 k = 0.3244 0.3250-0.0000 ( 2691 PWs) bands (ev): -7.2191 -7.2191 -5.7225 -5.7225 1.1958 1.1958 1.8924 1.8924 2.3425 2.3425 2.6445 2.6445 4.7793 4.7793 5.0071 5.0071 5.6570 5.6570 5.7224 5.7224 6.3563 6.3563 6.7373 6.7373 6.8350 6.8350 6.8506 6.8506 7.6612 7.6612 8.4800 8.4800 8.5609 8.5609 8.8377 8.8377 k = 0.3328 0.3333-0.0000 ( 2691 PWs) bands (ev): -7.1963 -7.1963 -5.7218 -5.7218 1.1735 1.1735 1.9181 1.9181 2.3520 2.3520 2.6200 2.6200 4.7577 4.7577 4.9795 4.9795 5.6362 5.6362 5.6835 5.6835 6.3537 6.3537 6.7445 6.7445 6.8291 6.8291 6.8547 6.8547 7.6614 7.6614 8.5505 8.5505 8.5858 8.5858 8.8302 8.8302 k = 0.3411 0.3417-0.0000 ( 2691 PWs) bands (ev): -7.1741 -7.1741 -5.7211 -5.7211 1.1517 1.1517 1.9432 1.9432 2.3613 2.3613 2.5970 2.5970 4.7368 4.7368 4.9533 4.9533 5.6068 5.6068 5.6535 5.6535 6.3509 6.3509 6.7516 6.7516 6.8196 6.8196 6.8629 6.8629 7.6618 7.6618 8.6028 8.6028 8.6342 8.6342 8.8234 8.8234 k = 0.3494 0.3500-0.0000 ( 2699 PWs) bands (ev): -7.1526 -7.1526 -5.7205 -5.7205 1.1306 1.1306 1.9677 1.9677 2.3704 2.3704 2.5754 2.5754 4.7166 4.7166 4.9285 4.9285 5.5707 5.5707 5.6312 5.6312 6.3479 6.3479 6.7582 6.7582 6.8108 6.8108 6.8709 6.8709 7.6625 7.6625 8.6323 8.6323 8.7101 8.7101 8.8178 8.8178 k = 0.3577 0.3583-0.0000 ( 2697 PWs) bands (ev): -7.1317 -7.1317 -5.7199 -5.7199 1.1101 1.1101 1.9917 1.9917 2.3791 2.3791 2.5552 2.5552 4.6972 4.6972 4.9050 4.9050 5.5327 5.5327 5.6121 5.6121 6.3448 6.3448 6.7638 6.7638 6.8040 6.8040 6.8783 6.8783 7.6636 7.6636 8.6617 8.6617 8.7837 8.7837 8.8206 8.8206 k = 0.3660 0.3667-0.0000 ( 2697 PWs) bands (ev): -7.1117 -7.1117 -5.7194 -5.7194 1.0905 1.0905 2.0149 2.0149 2.3873 2.3873 2.5364 2.5364 4.6785 4.6785 4.8830 4.8830 5.4953 5.4953 5.5938 5.5938 6.3415 6.3415 6.7670 6.7670 6.8002 6.8002 6.8848 6.8848 7.6649 7.6649 8.6928 8.6928 8.7996 8.7996 8.8852 8.8852 k = 0.3743 0.3750-0.0000 ( 2691 PWs) bands (ev): -7.0925 -7.0925 -5.7189 -5.7189 1.0717 1.0717 2.0375 2.0375 2.3950 2.3950 2.5191 2.5191 4.6607 4.6607 4.8624 4.8624 5.4592 5.4592 5.5759 5.5759 6.3383 6.3383 6.7669 6.7669 6.8007 6.8007 6.8906 6.8906 7.6665 7.6665 8.7250 8.7250 8.7974 8.7974 8.9727 8.9727 k = 0.3827 0.3833-0.0000 ( 2693 PWs) bands (ev): -7.0742 -7.0742 -5.7185 -5.7185 1.0538 1.0538 2.0593 2.0593 2.4017 2.4017 2.5034 2.5034 4.6438 4.6438 4.8431 4.8431 5.4249 5.4249 5.5582 5.5582 6.3349 6.3349 6.7637 6.7637 6.8048 6.8048 6.8957 6.8957 7.6681 7.6681 8.7557 8.7557 8.7982 8.7982 9.0645 9.0645 k = 0.3910 0.3917-0.0000 ( 2700 PWs) bands (ev): -7.0568 -7.0568 -5.7181 -5.7181 1.0370 1.0370 2.0804 2.0804 2.4071 2.4071 2.4897 2.4897 4.6278 4.6278 4.8252 4.8252 5.3925 5.3925 5.5407 5.5407 6.3314 6.3314 6.7593 6.7593 6.8106 6.8106 6.9001 6.9001 7.6698 7.6698 8.7721 8.7721 8.8157 8.8157 9.1593 9.1593 k = 0.3993 0.4000-0.0000 ( 2706 PWs) bands (ev): -7.0405 -7.0405 -5.7177 -5.7177 1.0211 1.0211 2.1008 2.1008 2.4105 2.4105 2.4783 2.4783 4.6129 4.6129 4.8088 4.8088 5.3623 5.3623 5.5236 5.5236 6.3282 6.3282 6.7545 6.7545 6.8172 6.8172 6.9039 6.9039 7.6717 7.6717 8.7731 8.7731 8.8513 8.8513 9.2567 9.2567 k = 0.4076 0.4083-0.0000 ( 2702 PWs) bands (ev): -7.0253 -7.0253 -5.7174 -5.7174 1.0063 1.0063 2.1205 2.1205 2.4109 2.4109 2.4703 2.4703 4.5990 4.5990 4.7936 4.7936 5.3342 5.3342 5.5071 5.5071 6.3250 6.3250 6.7499 6.7499 6.8240 6.8240 6.9073 6.9073 7.6736 7.6736 8.7706 8.7706 8.8934 8.8934 9.3564 9.3564 k = 0.4159 0.4167-0.0000 ( 2706 PWs) bands (ev): -7.0111 -7.0111 -5.7171 -5.7171 0.9926 0.9926 2.1394 2.1394 2.4075 2.4075 2.4662 2.4662 4.5861 4.5861 4.7798 4.7798 5.3083 5.3083 5.4912 5.4912 6.3219 6.3219 6.7456 6.7456 6.8307 6.8307 6.9102 6.9102 7.6755 7.6755 8.7675 8.7675 8.9388 8.9388 9.4580 9.4580 k = 0.4243 0.4250-0.0000 ( 2702 PWs) bands (ev): -6.9982 -6.9982 -5.7169 -5.7169 0.9801 0.9801 2.1577 2.1577 2.4007 2.4007 2.4656 2.4656 4.5744 4.5744 4.7674 4.7674 5.2848 5.2848 5.4763 5.4763 6.3190 6.3190 6.7417 6.7417 6.8371 6.8371 6.9127 6.9127 7.6774 7.6774 8.7643 8.7643 8.9869 8.9869 9.5611 9.5611 k = 0.4326 0.4333-0.0000 ( 2702 PWs) bands (ev): -6.9865 -6.9865 -5.7167 -5.7167 0.9688 0.9688 2.1753 2.1753 2.3917 2.3917 2.4672 2.4672 4.5638 4.5638 4.7562 4.7562 5.2637 5.2637 5.4623 5.4623 6.3163 6.3163 6.7382 6.7382 6.8430 6.8430 6.9149 6.9149 7.6791 7.6791 8.7614 8.7614 9.0376 9.0376 9.6650 9.6650 k = 0.4409 0.4417-0.0000 ( 2694 PWs) bands (ev): -6.9760 -6.9760 -5.7165 -5.7165 0.9587 0.9587 2.1922 2.1922 2.3814 2.3814 2.4698 2.4698 4.5544 4.5544 4.7464 4.7464 5.2449 5.2449 5.4496 5.4496 6.3139 6.3139 6.7351 6.7351 6.8485 6.8485 6.9169 6.9169 7.6808 7.6808 8.7587 8.7587 9.0902 9.0902 9.7688 9.7688 k = 0.4492 0.4500-0.0000 ( 2694 PWs) bands (ev): -6.9668 -6.9668 -5.7163 -5.7163 0.9499 0.9499 2.2085 2.2085 2.3704 2.3704 2.4726 2.4726 4.5462 4.5462 4.7379 4.7379 5.2286 5.2286 5.4382 5.4382 6.3117 6.3117 6.7324 6.7324 6.8534 6.8534 6.9185 6.9185 7.6823 7.6823 8.7564 8.7564 9.1445 9.1445 9.8715 9.8715 k = 0.4575 0.4583-0.0000 ( 2686 PWs) bands (ev): -6.9590 -6.9590 -5.7162 -5.7162 0.9424 0.9424 2.2243 2.2243 2.3590 2.3590 2.4754 2.4754 4.5392 4.5392 4.7307 4.7307 5.2147 5.2147 5.4283 5.4283 6.3099 6.3099 6.7302 6.7302 6.8576 6.8576 6.9200 6.9200 7.6837 7.6837 8.7544 8.7544 9.1997 9.1997 9.9707 9.9707 k = 0.4659 0.4667-0.0000 ( 2688 PWs) bands (ev): -6.9525 -6.9525 -5.7161 -5.7161 0.9361 0.9361 2.2394 2.2394 2.3474 2.3474 2.4779 2.4779 4.5335 4.5335 4.7248 4.7248 5.2032 5.2032 5.4199 5.4199 6.3083 6.3083 6.7283 6.7283 6.8611 6.8611 6.9212 6.9212 7.6848 7.6848 8.7527 8.7527 9.2545 9.2545 10.0576 10.0576 k = 0.4742 0.4750-0.0000 ( 2684 PWs) bands (ev): -6.9475 -6.9475 -5.7160 -5.7160 0.9313 0.9313 2.2540 2.2540 2.3355 2.3355 2.4799 2.4799 4.5289 4.5289 4.7202 4.7202 5.1943 5.1943 5.4133 5.4133 6.3071 6.3071 6.7269 6.7269 6.8639 6.8639 6.9221 6.9221 7.6857 7.6857 8.7514 8.7514 9.3067 9.3067 10.0236 10.0236 k = 0.4825 0.4833-0.0000 ( 2680 PWs) bands (ev): -6.9438 -6.9438 -5.7160 -5.7160 0.9277 0.9277 2.2681 2.2681 2.3233 2.3233 2.4815 2.4815 4.5257 4.5257 4.7168 4.7168 5.1878 5.1878 5.4084 5.4084 6.3062 6.3062 6.7259 6.7259 6.8660 6.8660 6.9228 6.9228 7.6864 7.6864 8.7505 8.7505 9.3528 9.3528 9.9625 9.9625 k = 0.4908 0.4917-0.0000 ( 2672 PWs) bands (ev): -6.9415 -6.9415 -5.7159 -5.7159 0.9256 0.9256 2.2816 2.2816 2.3109 2.3109 2.4825 2.4825 4.5236 4.5236 4.7148 4.7148 5.1838 5.1838 5.4054 5.4054 6.3057 6.3057 6.7253 6.7253 6.8674 6.8674 6.9233 6.9233 7.6868 7.6868 8.7499 8.7499 9.3867 9.3867 9.9187 9.9187 k = 0.4991 0.5000-0.0000 ( 2676 PWs) bands (ev): -6.9406 -6.9406 -5.7159 -5.7159 0.9247 0.9247 2.2935 2.2935 2.2995 2.2995 2.4828 2.4828 4.5229 4.5229 4.7140 4.7140 5.1822 5.1822 5.4043 5.4043 6.3055 6.3055 6.7250 6.7250 6.8678 6.8678 6.9234 6.9234 7.6869 7.6869 8.7496 8.7496 9.4011 9.4011 9.9005 9.9005 k = 0.4991 0.5000-0.0000 ( 2676 PWs) bands (ev): -6.9406 -6.9406 -5.7159 -5.7159 0.9247 0.9247 2.2935 2.2935 2.2995 2.2995 2.4828 2.4828 4.5229 4.5229 4.7140 4.7140 5.1822 5.1822 5.4043 5.4043 6.3055 6.3055 6.7250 6.7250 6.8678 6.8678 6.9234 6.9234 7.6869 7.6869 8.7496 8.7496 9.4011 9.4011 9.9005 9.9005 k = 0.4872 0.5000-0.0000 ( 2672 PWs) bands (ev): -6.9407 -6.9407 -5.7170 -5.7170 0.9268 0.9268 2.2858 2.2858 2.3076 2.3076 2.4832 2.4832 4.5209 4.5209 4.7117 4.7117 5.1829 5.1829 5.4058 5.4058 6.3059 6.3059 6.7267 6.7267 6.8681 6.8681 6.9248 6.9248 7.6866 7.6866 8.7448 8.7448 9.3929 9.3929 9.9169 9.9169 k = 0.4754 0.5000-0.0000 ( 2676 PWs) bands (ev): -6.9407 -6.9407 -5.7203 -5.7203 0.9328 0.9328 2.2773 2.2773 2.3171 2.3171 2.4844 2.4844 4.5148 4.5148 4.7046 4.7046 5.1841 5.1841 5.4099 5.4099 6.3069 6.3069 6.7314 6.7314 6.8689 6.8689 6.9289 6.9289 7.6855 7.6855 8.7303 8.7303 9.3748 9.3748 9.9583 9.9583 k = 0.4635 0.5000-0.0000 ( 2674 PWs) bands (ev): -6.9406 -6.9406 -5.7257 -5.7257 0.9426 0.9426 2.2694 2.2694 2.3268 2.3268 2.4864 2.4864 4.5047 4.5047 4.6929 4.6929 5.1860 5.1860 5.4168 5.4168 6.3086 6.3086 6.7390 6.7390 6.8705 6.8705 6.9361 6.9361 7.6838 7.6838 8.7067 8.7067 9.3519 9.3519 10.0191 10.0191 k = 0.4516 0.5000-0.0000 ( 2676 PWs) bands (ev): -6.9405 -6.9405 -5.7333 -5.7333 0.9563 0.9563 2.2621 2.2621 2.3366 2.3366 2.4891 2.4891 4.4907 4.4907 4.6770 4.6770 5.1886 5.1886 5.4261 5.4261 6.3109 6.3109 6.7488 6.7488 6.8729 6.8729 6.9462 6.9462 7.6815 7.6815 8.6747 8.6747 9.3286 9.3286 10.0919 10.0919 k = 0.4397 0.5000-0.0000 ( 2686 PWs) bands (ev): -6.9403 -6.9403 -5.7429 -5.7429 0.9736 0.9736 2.2556 2.2556 2.3463 2.3463 2.4927 2.4927 4.4730 4.4730 4.6571 4.6571 5.1917 5.1917 5.4380 5.4380 6.3139 6.3139 6.7600 6.7600 6.8764 6.8764 6.9592 6.9592 7.6784 7.6784 8.6355 8.6355 9.3074 9.3074 10.1002 10.1002 k = 0.4278 0.5000-0.0000 ( 2686 PWs) bands (ev): -6.9400 -6.9400 -5.7546 -5.7546 0.9945 0.9945 2.2499 2.2499 2.3559 2.3559 2.4971 2.4971 4.4517 4.4517 4.6337 4.6337 5.1955 5.1955 5.4524 5.4524 6.3175 6.3175 6.7715 6.7715 6.8819 6.8819 6.9751 6.9751 7.6748 7.6748 8.5906 8.5906 9.2895 9.2895 10.0385 10.0385 k = 0.4159 0.5000-0.0000 ( 2682 PWs) bands (ev): -6.9396 -6.9396 -5.7682 -5.7682 1.0187 1.0187 2.2452 2.2452 2.3653 2.3653 2.5022 2.5022 4.4271 4.4271 4.6073 4.6073 5.1999 5.1999 5.4691 5.4691 6.3219 6.3219 6.7821 6.7821 6.8906 6.8906 6.9936 6.9936 7.6708 7.6708 8.5413 8.5413 9.2749 9.2749 9.9713 9.9713 k = 0.4041 0.5000-0.0000 ( 2682 PWs) bands (ev): -6.9390 -6.9390 -5.7836 -5.7836 1.0462 1.0462 2.2415 2.2415 2.3744 2.3744 2.5081 2.5081 4.3993 4.3993 4.5782 4.5782 5.2048 5.2048 5.4882 5.4882 6.3268 6.3268 6.7906 6.7906 6.9029 6.9029 7.0143 7.0143 7.6662 7.6662 8.4891 8.4891 9.2634 9.2634 9.9016 9.9016 k = 0.3922 0.5000-0.0000 ( 2687 PWs) bands (ev): -6.9383 -6.9383 -5.8008 -5.8008 1.0767 1.0767 2.2389 2.2389 2.3830 2.3830 2.5147 2.5147 4.3687 4.3687 4.5470 4.5470 5.2102 5.2102 5.5094 5.5094 6.3325 6.3325 6.7963 6.7963 6.9191 6.9191 7.0370 7.0370 7.6611 7.6611 8.4351 8.4351 9.2544 9.2544 9.8305 9.8305 k = 0.3803 0.5000-0.0000 ( 2687 PWs) bands (ev): -6.9375 -6.9375 -5.8197 -5.8197 1.1100 1.1100 2.2374 2.2374 2.3911 2.3911 2.5222 2.5222 4.3353 4.3353 4.5140 4.5140 5.2164 5.2164 5.5326 5.5326 6.3390 6.3390 6.7997 6.7997 6.9388 6.9388 7.0613 7.0613 7.6558 7.6558 8.3804 8.3804 9.2477 9.2477 9.7589 9.7589 k = 0.3684 0.5000-0.0000 ( 2690 PWs) bands (ev): -6.9365 -6.9365 -5.8401 -5.8401 1.1457 1.1457 2.2371 2.2371 2.3986 2.3986 2.5305 2.5305 4.2995 4.2995 4.4798 4.4798 5.2232 5.2232 5.5577 5.5577 6.3463 6.3463 6.8011 6.8011 6.9609 6.9609 7.0867 7.0867 7.6503 7.6503 8.3258 8.3258 9.2426 9.2426 9.6872 9.6872 k = 0.3565 0.5000-0.0000 ( 2688 PWs) bands (ev): -6.9352 -6.9352 -5.8619 -5.8619 1.1837 1.1837 2.2381 2.2381 2.4054 2.4054 2.5397 2.5397 4.2615 4.2615 4.4445 4.4445 5.2307 5.2307 5.5846 5.5846 6.3545 6.3545 6.8015 6.8015 6.9844 6.9844 7.1129 7.1129 7.6447 7.6447 8.2720 8.2720 9.2390 9.2390 9.6159 9.6159 k = 0.3446 0.5000-0.0000 ( 2690 PWs) bands (ev): -6.9338 -6.9338 -5.8851 -5.8851 1.2236 1.2236 2.2404 2.2404 2.4113 2.4113 2.5500 2.5500 4.2214 4.2214 4.4086 4.4086 5.2390 5.2390 5.6129 5.6129 6.3638 6.3638 6.8011 6.8011 7.0084 7.0084 7.1396 7.1396 7.6393 7.6393 8.2196 8.2196 9.2365 9.2365 9.5452 9.5452 k = 0.3328 0.5000-0.0000 ( 2686 PWs) bands (ev): -6.9320 -6.9320 -5.9094 -5.9094 1.2651 1.2651 2.2440 2.2440 2.4162 2.4162 2.5615 2.5615 4.1796 4.1796 4.3723 4.3723 5.2482 5.2482 5.6426 5.6426 6.3742 6.3742 6.8005 6.8005 7.0321 7.0321 7.1662 7.1662 7.6343 7.6343 8.1691 8.1691 9.2348 9.2348 9.4755 9.4755 k = 0.3209 0.5000-0.0000 ( 2690 PWs) bands (ev): -6.9300 -6.9300 -5.9348 -5.9348 1.3079 1.3079 2.2489 2.2489 2.4200 2.4200 2.5742 2.5742 4.1363 4.1363 4.3358 4.3358 5.2584 5.2584 5.6734 5.6734 6.3856 6.3856 6.8000 6.8000 7.0548 7.0548 7.1923 7.1923 7.6299 7.6299 8.1210 8.1210 9.2338 9.2338 9.4069 9.4069 k = 0.3090 0.5000-0.0000 ( 2692 PWs) bands (ev): -6.9277 -6.9277 -5.9612 -5.9612 1.3517 1.3517 2.2551 2.2551 2.4226 2.4226 2.5883 2.5883 4.0916 4.0916 4.2992 4.2992 5.2696 5.2696 5.7050 5.7050 6.3983 6.3983 6.7998 6.7998 7.0758 7.0758 7.2173 7.2173 7.6267 7.6267 8.0758 8.0758 9.2331 9.2331 9.3397 9.3397 k = 0.2971 0.5000-0.0000 ( 2694 PWs) bands (ev): -6.9250 -6.9250 -5.9884 -5.9884 1.3960 1.3960 2.2628 2.2628 2.4240 2.4240 2.6039 2.6039 4.0458 4.0458 4.2627 4.2627 5.2820 5.2820 5.7373 5.7373 6.4121 6.4121 6.8000 6.8000 7.0945 7.0945 7.2407 7.2407 7.6251 7.6251 8.0340 8.0340 9.2317 9.2317 9.2749 9.2749 k = 0.2852 0.5000-0.0000 ( 2697 PWs) bands (ev): -6.9220 -6.9220 -6.0163 -6.0163 1.4406 1.4406 2.2717 2.2717 2.4241 2.4241 2.6212 2.6212 3.9991 3.9991 4.2264 4.2264 5.2958 5.2958 5.7699 5.7699 6.4271 6.4271 6.8009 6.8009 7.1102 7.1102 7.2617 7.2617 7.6258 7.6258 7.9959 7.9959 9.2052 9.2052 9.2372 9.2372 k = 0.2733 0.5000-0.0000 ( 2696 PWs) bands (ev): -6.9185 -6.9185 -6.0449 -6.0449 1.4852 1.4852 2.2820 2.2820 2.4231 2.4231 2.6401 2.6401 3.9516 3.9516 4.1903 4.1903 5.3110 5.3110 5.8027 5.8027 6.4431 6.4431 6.8026 6.8026 7.1223 7.1223 7.2799 7.2799 7.6292 7.6292 7.9621 7.9621 9.1444 9.1444 9.2355 9.2355 k = 0.2614 0.5000-0.0000 ( 2692 PWs) bands (ev): -6.9146 -6.9146 -6.0739 -6.0739 1.5292 1.5292 2.2935 2.2935 2.4210 2.4210 2.6609 2.6609 3.9036 3.9036 4.1545 4.1545 5.3278 5.3278 5.8354 5.8354 6.4599 6.4599 6.8051 6.8051 7.1304 7.1304 7.2946 7.2946 7.6361 7.6361 7.9329 7.9329 9.0839 9.0839 9.2355 9.2355 k = 0.2496 0.5000-0.0000 ( 2690 PWs) bands (ev): -6.9102 -6.9102 -6.1033 -6.1033 1.5725 1.5725 2.3061 2.3061 2.4180 2.4180 2.6834 2.6834 3.8552 3.8552 4.1190 4.1190 5.3463 5.3463 5.8680 5.8680 6.4772 6.4772 6.8086 6.8086 7.1338 7.1338 7.3054 7.3054 7.6469 7.6469 7.9087 7.9087 9.0253 9.0253 9.2355 9.2355 k = 0.2377 0.5000-0.0000 ( 2694 PWs) bands (ev): -6.9054 -6.9054 -6.1329 -6.1329 1.6148 1.6148 2.3194 2.3194 2.4144 2.4144 2.7077 2.7077 3.8065 3.8065 4.0837 4.0837 5.3665 5.3665 5.9001 5.9001 6.4946 6.4946 6.8131 6.8131 7.1323 7.1323 7.3121 7.3121 7.6618 7.6618 7.8897 7.8897 8.9689 8.9689 9.2353 9.2353 k = 0.2258 0.5000-0.0000 ( 2693 PWs) bands (ev): -6.9000 -6.9000 -6.1628 -6.1628 1.6558 1.6558 2.3328 2.3328 2.4110 2.4110 2.7338 2.7338 3.7577 3.7577 4.0488 4.0488 5.3888 5.3888 5.9318 5.9318 6.5117 6.5117 6.8186 6.8186 7.1260 7.1260 7.3151 7.3151 7.6808 7.6808 7.8759 7.8759 8.9150 8.9150 9.2348 9.2348 k = 0.2139 0.5000-0.0000 ( 2690 PWs) bands (ev): -6.8941 -6.8941 -6.1927 -6.1927 1.6954 1.6954 2.3450 2.3450 2.4092 2.4092 2.7618 2.7618 3.7089 3.7089 4.0142 4.0142 5.4130 5.4130 5.9629 5.9629 6.5278 6.5278 6.8250 6.8250 7.1147 7.1147 7.3146 7.3146 7.7035 7.7035 7.8670 7.8670 8.8638 8.8638 9.2336 9.2336 k = 0.2020 0.5000-0.0000 ( 2685 PWs) bands (ev): -6.8875 -6.8875 -6.2226 -6.2226 1.7332 1.7332 2.3530 2.3530 2.4118 2.4118 2.7913 2.7913 3.6602 3.6602 3.9798 3.9798 5.4395 5.4395 5.9936 5.9936 6.5423 6.5423 6.8326 6.8326 7.0990 7.0990 7.3113 7.3113 7.7294 7.7294 7.8628 7.8628 8.8158 8.8158 9.2317 9.2317 k = 0.1901 0.5000-0.0000 ( 2702 PWs) bands (ev): -6.8804 -6.8804 -6.2524 -6.2524 1.7693 1.7693 2.3544 2.3544 2.4215 2.4215 2.8223 2.8223 3.6116 3.6116 3.9457 3.9457 5.4680 5.4680 6.0237 6.0237 6.5544 6.5544 6.8409 6.8409 7.0793 7.0793 7.3057 7.3057 7.7576 7.7576 7.8628 7.8628 8.7713 8.7713 9.2288 9.2288 k = 0.1783 0.5000-0.0000 ( 2704 PWs) bands (ev): -6.8726 -6.8726 -6.2820 -6.2820 1.8036 1.8036 2.3499 2.3499 2.4375 2.4375 2.8548 2.8548 3.5632 3.5632 3.9118 3.9118 5.4988 5.4988 6.0533 6.0533 6.5638 6.5638 6.8501 6.8501 7.0562 7.0562 7.2984 7.2984 7.7874 7.7874 7.8668 7.8668 8.7308 8.7308 9.2247 9.2247 k = 0.1664 0.5000-0.0000 ( 2708 PWs) bands (ev): -6.8641 -6.8641 -6.3114 -6.3114 1.8360 1.8360 2.3420 2.3420 2.4576 2.4576 2.8886 2.8886 3.5152 3.5152 3.8780 3.8780 5.5320 5.5320 6.0826 6.0826 6.5697 6.5697 6.8598 6.8598 7.0307 7.0307 7.2899 7.2899 7.8172 7.8172 7.8748 7.8748 8.6948 8.6948 9.2193 9.2193 k = 0.1545 0.5000-0.0000 ( 2705 PWs) bands (ev): -6.8550 -6.8550 -6.3404 -6.3404 1.8666 1.8666 2.3320 2.3320 2.4802 2.4802 2.9234 2.9234 3.4675 3.4675 3.8444 3.8444 5.5674 5.5674 6.1116 6.1116 6.5717 6.5717 6.8696 6.8696 7.0037 7.0037 7.2803 7.2803 7.8445 7.8445 7.8881 7.8881 8.6641 8.6641 9.2122 9.2122 k = 0.1426 0.5000-0.0000 ( 2702 PWs) bands (ev): -6.8451 -6.8451 -6.3690 -6.3690 1.8955 1.8955 2.3208 2.3208 2.5048 2.5048 2.9591 2.9591 3.4204 3.4204 3.8110 3.8110 5.6052 5.6052 6.1403 6.1403 6.5693 6.5693 6.8781 6.8781 6.9770 6.9770 7.2700 7.2700 7.8660 7.8660 7.9086 7.9086 8.6392 8.6392 9.2032 9.2032 k = 0.1307 0.5000-0.0000 ( 2700 PWs) bands (ev): -6.8345 -6.8345 -6.3972 -6.3972 1.9227 1.9227 2.3087 2.3087 2.5309 2.5309 2.9954 2.9954 3.3737 3.3737 3.7776 3.7776 5.6450 5.6450 6.1687 6.1687 6.5625 6.5625 6.8815 6.8815 6.9547 6.9547 7.2590 7.2590 7.8820 7.8820 7.9342 7.9342 8.6212 8.6212 9.1921 9.1921 k = 0.1188 0.5000-0.0000 ( 2702 PWs) bands (ev): -6.8231 -6.8231 -6.4249 -6.4249 1.9483 1.9483 2.2958 2.2958 2.5585 2.5585 3.0320 3.0320 3.3277 3.3277 3.7442 3.7442 5.6869 5.6869 6.1968 6.1968 6.5513 6.5513 6.8719 6.8719 6.9451 6.9451 7.2473 7.2473 7.8956 7.8956 7.9603 7.9603 8.6108 8.6108 9.1787 9.1787 k = 0.1070 0.5000-0.0000 ( 2704 PWs) bands (ev): -6.8110 -6.8110 -6.4520 -6.4520 1.9725 1.9725 2.2824 2.2824 2.5873 2.5873 3.0686 3.0686 3.2825 3.2825 3.7108 3.7108 5.7307 5.7307 6.2243 6.2243 6.5359 6.5359 6.8483 6.8483 6.9494 6.9494 7.2351 7.2351 7.9083 7.9083 7.9838 7.9838 8.6088 8.6088 9.1626 9.1626 k = 0.0951 0.5000-0.0000 ( 2704 PWs) bands (ev): -6.7980 -6.7980 -6.4785 -6.4785 1.9954 1.9954 2.2686 2.2686 2.6174 2.6174 3.1045 3.1045 3.2389 3.2389 3.6774 3.6774 5.7761 5.7761 6.2509 6.2509 6.5170 6.5170 6.8180 6.8180 6.9607 6.9607 7.2221 7.2221 7.9207 7.9207 8.0031 8.0031 8.6157 8.6157 9.1438 9.1438 k = 0.0832 0.5000-0.0000 ( 2700 PWs) bands (ev): -6.7843 -6.7843 -6.5043 -6.5043 2.0171 2.0171 2.2544 2.2544 2.6486 2.6486 3.1360 3.1360 3.2004 3.2004 3.6439 3.6439 5.8231 5.8231 6.2754 6.2754 6.4960 6.4960 6.7851 6.7851 6.9749 6.9749 7.2085 7.2085 7.9330 7.9330 8.0174 8.0174 8.6314 8.6314 9.1220 9.1220 k = 0.0713 0.5000-0.0000 ( 2702 PWs) bands (ev): -6.7697 -6.7697 -6.5295 -6.5295 2.0378 2.0378 2.2398 2.2398 2.6810 2.6810 3.1346 3.1346 3.1953 3.1953 3.6103 3.6103 5.8713 5.8713 6.2956 6.2956 6.4755 6.4755 6.7511 6.7511 6.9906 6.9906 7.1942 7.1942 7.9450 7.9450 8.0264 8.0264 8.6551 8.6551 9.0971 9.0971 k = 0.0594 0.5000-0.0000 ( 2704 PWs) bands (ev): -6.7543 -6.7543 -6.5539 -6.5539 2.0576 2.0576 2.2249 2.2249 2.7144 2.7144 3.0981 3.0981 3.2257 3.2257 3.5765 3.5765 5.9203 5.9203 6.3067 6.3067 6.4606 6.4606 6.7167 6.7167 7.0072 7.0072 7.1792 7.1792 7.9567 7.9567 8.0308 8.0308 8.6855 8.6855 9.0690 9.0690 k = 0.0475 0.5000-0.0000 ( 2704 PWs) bands (ev): -6.7380 -6.7380 -6.5776 -6.5776 2.0766 2.0766 2.2098 2.2098 2.7489 2.7489 3.0573 3.0573 3.2610 3.2610 3.5425 3.5425 5.9698 5.9698 6.3024 6.3024 6.4584 6.4584 6.6822 6.6822 7.0243 7.0243 7.1635 7.1635 7.9681 7.9681 8.0313 8.0313 8.7212 8.7212 9.0379 9.0379 k = 0.0357 0.5000-0.0000 ( 2696 PWs) bands (ev): -6.7209 -6.7209 -6.6006 -6.6006 2.0948 2.0948 2.1944 2.1944 2.7844 2.7844 3.0163 3.0163 3.2970 3.2970 3.5083 3.5083 6.0194 6.0194 6.2811 6.2811 6.4706 6.4706 6.6480 6.6480 7.0420 7.0420 7.1472 7.1472 7.9791 7.9791 8.0287 8.0287 8.7606 8.7606 9.0037 9.0037 k = 0.0238 0.5000-0.0000 ( 2694 PWs) bands (ev): -6.7029 -6.7029 -6.6227 -6.6227 2.1125 2.1125 2.1787 2.1787 2.8209 2.8209 2.9757 2.9757 3.3329 3.3329 3.4738 3.4738 6.0688 6.0688 6.2480 6.2480 6.4924 6.4924 6.6144 6.6144 7.0598 7.0598 7.1304 7.1304 7.9896 7.9896 8.0236 8.0236 8.8022 8.8022 8.9669 8.9669 k = 0.0119 0.5000-0.0000 ( 2691 PWs) bands (ev): -6.6841 -6.6841 -6.6440 -6.6440 2.1297 2.1297 2.1627 2.1627 2.8583 2.8583 2.9358 2.9358 3.3686 3.3686 3.4391 3.4391 6.1171 6.1171 6.2080 6.2080 6.5196 6.5196 6.5815 6.5815 7.0777 7.0777 7.1131 7.1131 7.9995 7.9995 8.0168 8.0168 8.8446 8.8446 8.9277 8.9277 k = 0.0000 0.5000-0.0000 ( 2694 PWs) bands (ev): -6.6645 -6.6645 -6.6645 -6.6645 2.1464 2.1464 2.1464 2.1464 2.8966 2.8966 2.8966 2.8966 3.4040 3.4040 3.4040 3.4040 6.1638 6.1638 6.1638 6.1638 6.5496 6.5496 6.5496 6.5496 7.0955 7.0955 7.0955 7.0955 8.0087 8.0087 8.0087 8.0087 8.8867 8.8867 8.8867 8.8867 k = 0.0000 0.5000-0.0000 ( 2694 PWs) bands (ev): -6.6645 -6.6645 -6.6645 -6.6645 2.1464 2.1464 2.1464 2.1464 2.8966 2.8966 2.8966 2.8966 3.4040 3.4040 3.4040 3.4040 6.1638 6.1638 6.1638 6.1638 6.5496 6.5496 6.5496 6.5496 7.0955 7.0955 7.0955 7.0955 8.0087 8.0087 8.0087 8.0087 8.8867 8.8867 8.8867 8.8867 k = 0.0000 0.5000 0.0118 ( 2696 PWs) bands (ev): -6.6644 -6.6644 -6.6644 -6.6644 2.1411 2.1411 2.1433 2.1433 2.8996 2.8996 2.9011 2.9011 3.4041 3.4041 3.4047 3.4047 6.1628 6.1628 6.1641 6.1641 6.5503 6.5503 6.5506 6.5506 7.0951 7.0951 7.0959 7.0959 8.0088 8.0088 8.0102 8.0102 8.8851 8.8851 8.8885 8.8885 k = 0.0000 0.5000 0.0237 ( 2702 PWs) bands (ev): -6.6642 -6.6642 -6.6642 -6.6642 2.1277 2.1277 2.1319 2.1319 2.9099 2.9099 2.9128 2.9128 3.4052 3.4052 3.4064 3.4064 6.1611 6.1611 6.1636 6.1636 6.5525 6.5525 6.5532 6.5532 7.0946 7.0946 7.0963 7.0963 8.0105 8.0105 8.0133 8.0133 8.8836 8.8836 8.8905 8.8905 k = 0.0000 0.5000 0.0355 ( 2700 PWs) bands (ev): -6.6638 -6.6638 -6.6637 -6.6637 2.1072 2.1072 2.1132 2.1132 2.9267 2.9267 2.9307 2.9307 3.4073 3.4073 3.4092 3.4092 6.1587 6.1587 6.1623 6.1623 6.5564 6.5564 6.5573 6.5573 7.0941 7.0941 7.0966 7.0966 8.0139 8.0139 8.0182 8.0182 8.8825 8.8825 8.8927 8.8927 k = 0.0000 0.5000 0.0473 ( 2700 PWs) bands (ev): -6.6633 -6.6633 -6.6632 -6.6632 2.0807 2.0807 2.0881 2.0881 2.9487 2.9487 2.9534 2.9534 3.4105 3.4105 3.4130 3.4130 6.1557 6.1557 6.1604 6.1604 6.5616 6.5616 6.5628 6.5628 7.0936 7.0936 7.0970 7.0970 8.0190 8.0190 8.0248 8.0248 8.8815 8.8815 8.8951 8.8951 k = 0.0000 0.5000 0.0592 ( 2696 PWs) bands (ev): -6.6627 -6.6627 -6.6625 -6.6625 2.0495 2.0495 2.0581 2.0581 2.9747 2.9747 2.9798 2.9798 3.4149 3.4149 3.4181 3.4181 6.1522 6.1522 6.1578 6.1578 6.5683 6.5683 6.5696 6.5696 7.0931 7.0931 7.0973 7.0973 8.0258 8.0258 8.0330 8.0330 8.8808 8.8808 8.8977 8.8977 k = 0.0000 0.5000 0.0710 ( 2690 PWs) bands (ev): -6.6619 -6.6619 -6.6617 -6.6617 2.0148 2.0148 2.0242 2.0242 3.0032 3.0032 3.0083 3.0083 3.4205 3.4205 3.4245 3.4245 6.1483 6.1483 6.1548 6.1548 6.5761 6.5761 6.5776 6.5776 7.0926 7.0926 7.0975 7.0975 8.0341 8.0341 8.0430 8.0430 8.8804 8.8804 8.9006 8.9006 k = 0.0000 0.5000 0.0828 ( 2690 PWs) bands (ev): -6.6609 -6.6609 -6.6608 -6.6608 1.9776 1.9776 1.9876 1.9876 3.0330 3.0330 3.0378 3.0378 3.4275 3.4275 3.4323 3.4323 6.1440 6.1440 6.1512 6.1512 6.5849 6.5849 6.5865 6.5865 7.0921 7.0921 7.0977 7.0977 8.0441 8.0441 8.0546 8.0546 8.8802 8.8802 8.9036 8.9036 k = 0.0000 0.5000 0.0947 ( 2688 PWs) bands (ev): -6.6599 -6.6599 -6.6597 -6.6597 1.9388 1.9388 1.9491 1.9491 3.0631 3.0631 3.0673 3.0673 3.4360 3.4360 3.4417 3.4417 6.1396 6.1396 6.1473 6.1473 6.5947 6.5947 6.5963 6.5963 7.0916 7.0916 7.0979 7.0979 8.0556 8.0556 8.0678 8.0678 8.8804 8.8804 8.9069 8.9069 k = 0.0000 0.5000 0.1065 ( 2698 PWs) bands (ev): -6.6588 -6.6588 -6.6586 -6.6586 1.8991 1.8991 1.9096 1.9096 3.0924 3.0924 3.0959 3.0959 3.4463 3.4463 3.4528 3.4528 6.1349 6.1349 6.1431 6.1431 6.6050 6.6050 6.6066 6.6066 7.0911 7.0911 7.0980 7.0980 8.0686 8.0686 8.0826 8.0826 8.8809 8.8809 8.9104 8.9104 k = 0.0000 0.5000 0.1183 ( 2706 PWs) bands (ev): -6.6576 -6.6576 -6.6573 -6.6573 1.8590 1.8590 1.8696 1.8696 3.1202 3.1202 3.1229 3.1229 3.4584 3.4584 3.4658 3.4658 6.1302 6.1302 6.1387 6.1387 6.6158 6.6158 6.6173 6.6173 7.0906 7.0906 7.0981 7.0981 8.0832 8.0832 8.0989 8.0989 8.8819 8.8819 8.9142 8.9142 k = 0.0000 0.5000 0.1302 ( 2718 PWs) bands (ev): -6.6563 -6.6563 -6.6560 -6.6560 1.8192 1.8192 1.8296 1.8296 3.1460 3.1460 3.1478 3.1478 3.4726 3.4726 3.4806 3.4806 6.1253 6.1253 6.1341 6.1341 6.6269 6.6269 6.6284 6.6284 7.0900 7.0900 7.0980 7.0980 8.0991 8.0991 8.1167 8.1167 8.8833 8.8833 8.9183 8.9183 k = 0.0000 0.5000 0.1420 ( 2718 PWs) bands (ev): -6.6549 -6.6549 -6.6547 -6.6547 1.7799 1.7799 1.7902 1.7902 3.1693 3.1693 3.1702 3.1702 3.4886 3.4886 3.4973 3.4973 6.1207 6.1207 6.1295 6.1295 6.6382 6.6382 6.6397 6.6397 7.0896 7.0896 7.0980 7.0980 8.1163 8.1163 8.1357 8.1357 8.8852 8.8852 8.9227 8.9227 k = 0.0000 0.5000 0.1538 ( 2714 PWs) bands (ev): -6.6535 -6.6535 -6.6533 -6.6533 1.7416 1.7416 1.7516 1.7516 3.1899 3.1899 3.1900 3.1900 3.5064 3.5064 3.5155 3.5155 6.1162 6.1162 6.1250 6.1250 6.6495 6.6495 6.6509 6.6509 7.0893 7.0893 7.0980 7.0980 8.1347 8.1347 8.1560 8.1560 8.8877 8.8877 8.9275 8.9275 k = 0.0000 0.5000 0.1657 ( 2718 PWs) bands (ev): -6.6521 -6.6521 -6.6518 -6.6518 1.7045 1.7045 1.7142 1.7142 3.2072 3.2072 3.2078 3.2078 3.5256 3.5256 3.5350 3.5350 6.1118 6.1118 6.1205 6.1205 6.6606 6.6606 6.6619 6.6619 7.0890 7.0890 7.0979 7.0979 8.1541 8.1541 8.1770 8.1770 8.8908 8.8908 8.9325 8.9325 k = 0.0000 0.5000 0.1775 ( 2716 PWs) bands (ev): -6.6506 -6.6506 -6.6504 -6.6504 1.6689 1.6689 1.6781 1.6781 3.2221 3.2221 3.2231 3.2231 3.5459 3.5459 3.5553 3.5553 6.1077 6.1077 6.1161 6.1161 6.6714 6.6714 6.6727 6.6727 7.0887 7.0887 7.0978 7.0978 8.1743 8.1743 8.1988 8.1988 8.8946 8.8946 8.9379 8.9379 k = 0.0000 0.5000 0.1893 ( 2720 PWs) bands (ev): -6.6492 -6.6492 -6.6489 -6.6489 1.6349 1.6349 1.6437 1.6437 3.2347 3.2347 3.2361 3.2361 3.5668 3.5668 3.5760 3.5760 6.1037 6.1037 6.1118 6.1118 6.6818 6.6818 6.6831 6.6831 7.0885 7.0885 7.0976 7.0976 8.1950 8.1950 8.2209 8.2209 8.8991 8.8991 8.9436 8.9436 k = 0.0000 0.5000 0.2012 ( 2720 PWs) bands (ev): -6.6478 -6.6478 -6.6475 -6.6475 1.6029 1.6029 1.6112 1.6112 3.2455 3.2455 3.2471 3.2471 3.5878 3.5878 3.5967 3.5967 6.0999 6.0999 6.1077 6.1077 6.6917 6.6917 6.6930 6.6930 7.0883 7.0883 7.0973 7.0973 8.2161 8.2161 8.2430 8.2430 8.9043 8.9043 8.9495 8.9495 k = 0.0000 0.5000 0.2130 ( 2726 PWs) bands (ev): -6.6464 -6.6464 -6.6462 -6.6462 1.5729 1.5729 1.5806 1.5806 3.2546 3.2546 3.2563 3.2563 3.6084 3.6084 3.6168 3.6168 6.0965 6.0965 6.1039 6.1039 6.7010 6.7010 6.7022 6.7022 7.0882 7.0882 7.0970 7.0970 8.2371 8.2371 8.2648 8.2648 8.9103 8.9103 8.9555 8.9555 k = 0.0000 0.5000 0.2248 ( 2728 PWs) bands (ev): -6.6451 -6.6451 -6.6449 -6.6449 1.5451 1.5451 1.5522 1.5522 3.2623 3.2623 3.2640 3.2640 3.6283 3.6283 3.6362 3.6362 6.0933 6.0933 6.1002 6.1002 6.7096 6.7096 6.7108 6.7108 7.0882 7.0882 7.0967 7.0967 8.2579 8.2579 8.2859 8.2859 8.9171 8.9171 8.9618 8.9618 k = 0.0000 0.5000 0.2367 ( 2726 PWs) bands (ev): -6.6438 -6.6438 -6.6436 -6.6436 1.5196 1.5196 1.5261 1.5261 3.2688 3.2688 3.2705 3.2705 3.6471 3.6471 3.6544 3.6544 6.0905 6.0905 6.0968 6.0968 6.7175 6.7175 6.7187 6.7187 7.0883 7.0883 7.0963 7.0963 8.2782 8.2782 8.3058 8.3058 8.9246 8.9246 8.9679 8.9679 k = 0.0000 0.5000 0.2485 ( 2718 PWs) bands (ev): -6.6427 -6.6427 -6.6425 -6.6425 1.4966 1.4966 1.5025 1.5025 3.2744 3.2744 3.2759 3.2759 3.6646 3.6646 3.6711 3.6711 6.0880 6.0880 6.0938 6.0938 6.7247 6.7247 6.7259 6.7259 7.0885 7.0885 7.0960 7.0960 8.2975 8.2975 8.3243 8.3243 8.9327 8.9327 8.9740 8.9740 k = 0.0000 0.5000 0.2603 ( 2722 PWs) bands (ev): -6.6416 -6.6416 -6.6414 -6.6414 1.4761 1.4761 1.4813 1.4813 3.2790 3.2790 3.2804 3.2804 3.6805 3.6805 3.6863 3.6863 6.0858 6.0858 6.0909 6.0909 6.7311 6.7311 6.7322 6.7322 7.0887 7.0887 7.0955 7.0955 8.3157 8.3157 8.3410 8.3410 8.9412 8.9412 8.9796 8.9796 k = 0.0000 0.5000 0.2722 ( 2720 PWs) bands (ev): -6.6407 -6.6407 -6.6405 -6.6405 1.4583 1.4583 1.4627 1.4627 3.2828 3.2828 3.2841 3.2841 3.6946 3.6946 3.6996 3.6996 6.0840 6.0840 6.0884 6.0884 6.7367 6.7367 6.7376 6.7376 7.0890 7.0890 7.0951 7.0951 8.3324 8.3324 8.3556 8.3556 8.9500 8.9500 8.9847 8.9847 k = 0.0000 0.5000 0.2840 ( 2718 PWs) bands (ev): -6.6398 -6.6398 -6.6397 -6.6397 1.4431 1.4431 1.4468 1.4468 3.2860 3.2860 3.2871 3.2871 3.7069 3.7069 3.7111 3.7111 6.0824 6.0824 6.0862 6.0862 6.7414 6.7414 6.7423 6.7423 7.0894 7.0894 7.0945 7.0945 8.3474 8.3474 8.3678 8.3678 8.9587 8.9587 8.9890 8.9890 k = 0.0000 0.5000 0.2958 ( 2718 PWs) bands (ev): -6.6391 -6.6391 -6.6390 -6.6390 1.4306 1.4306 1.4337 1.4337 3.2885 3.2885 3.2894 3.2894 3.7171 3.7171 3.7204 3.7204 6.0813 6.0813 6.0843 6.0843 6.7453 6.7453 6.7460 6.7460 7.0898 7.0898 7.0940 7.0940 8.3604 8.3604 8.3775 8.3775 8.9671 8.9671 8.9923 8.9923 k = 0.0000 0.5000 0.3077 ( 2718 PWs) bands (ev): -6.6386 -6.6386 -6.6385 -6.6385 1.4210 1.4210 1.4233 1.4233 3.2905 3.2905 3.2911 3.2911 3.7252 3.7252 3.7277 3.7277 6.0804 6.0804 6.0827 6.0827 6.7484 6.7484 6.7489 6.7489 7.0903 7.0903 7.0935 7.0935 8.3713 8.3713 8.3846 8.3846 8.9749 8.9749 8.9943 8.9943 k = 0.0000 0.5000 0.3195 ( 2718 PWs) bands (ev): -6.6382 -6.6382 -6.6381 -6.6381 1.4142 1.4142 1.4157 1.4157 3.2919 3.2919 3.2923 3.2923 3.7311 3.7311 3.7328 3.7328 6.0799 6.0799 6.0815 6.0815 6.7506 6.7506 6.7510 6.7510 7.0908 7.0908 7.0929 7.0929 8.3799 8.3799 8.3890 8.3890 8.9817 8.9817 8.9948 8.9948 k = 0.0000 0.5000 0.3313 ( 2720 PWs) bands (ev): -6.6379 -6.6379 -6.6379 -6.6379 1.4103 1.4103 1.4110 1.4110 3.2927 3.2927 3.2930 3.2930 3.7349 3.7349 3.7357 3.7357 6.0798 6.0798 6.0806 6.0806 6.7520 6.7520 6.7522 6.7522 7.0913 7.0913 7.0924 7.0924 8.3860 8.3860 8.3906 8.3906 8.9872 8.9872 8.9939 8.9939 k = 0.0000 0.5000 0.3432 ( 2712 PWs) bands (ev): -6.6378 -6.6378 -6.6378 -6.6378 1.4092 1.4092 1.4092 1.4092 3.2932 3.2932 3.2932 3.2932 3.7365 3.7365 3.7365 3.7365 6.0800 6.0800 6.0800 6.0800 6.7526 6.7526 6.7526 6.7526 7.0918 7.0918 7.0918 7.0918 8.3897 8.3897 8.3897 8.3897 8.9914 8.9914 8.9914 8.9914 k = 0.0000 0.5000 0.3432 ( 2712 PWs) bands (ev): -6.6378 -6.6378 -6.6378 -6.6378 1.4092 1.4092 1.4092 1.4092 3.2932 3.2932 3.2932 3.2932 3.7365 3.7365 3.7365 3.7365 6.0800 6.0800 6.0800 6.0800 6.7526 6.7526 6.7526 6.7526 7.0918 7.0918 7.0918 7.0918 8.3897 8.3897 8.3897 8.3897 8.9914 8.9914 8.9914 8.9914 k = 0.0119 0.5000 0.3432 ( 2716 PWs) bands (ev): -6.6577 -6.6577 -6.6171 -6.6171 1.4010 1.4010 1.4188 1.4188 3.2839 3.2839 3.2971 3.2971 3.7283 3.7283 3.7481 3.7481 6.0357 6.0357 6.1224 6.1224 6.7342 6.7342 6.7710 6.7710 7.0728 7.0728 7.1107 7.1107 8.3527 8.3527 8.4229 8.4229 8.9784 8.9784 9.0037 9.0037 k = 0.0238 0.5000 0.3432 ( 2720 PWs) bands (ev): -6.6768 -6.6768 -6.5956 -6.5956 1.3941 1.3941 1.4297 1.4297 3.2698 3.2698 3.2955 3.2955 3.7235 3.7235 3.7628 3.7628 5.9901 5.9901 6.1625 6.1625 6.7161 6.7161 6.7892 6.7892 7.0539 7.0539 7.1293 7.1293 8.3120 8.3120 8.4525 8.4525 8.9649 8.9649 9.0157 9.0157 k = 0.0357 0.5000 0.3432 ( 2720 PWs) bands (ev): -6.6951 -6.6951 -6.5734 -6.5734 1.3886 1.3886 1.4421 1.4421 3.2514 3.2514 3.2887 3.2887 3.7222 3.7222 3.7800 3.7800 5.9436 5.9436 6.1996 6.1996 6.6988 6.6988 6.8072 6.8072 7.0352 7.0352 7.1476 7.1476 8.2675 8.2675 8.4787 8.4787 8.9505 8.9505 9.0275 9.0275 k = 0.0475 0.5000 0.3432 ( 2720 PWs) bands (ev): -6.7126 -6.7126 -6.5503 -6.5503 1.3843 1.3843 1.4559 1.4559 3.2291 3.2291 3.2770 3.2770 3.7239 3.7239 3.7994 3.7994 5.8968 5.8968 6.2332 6.2332 6.6823 6.6823 6.8245 6.8245 7.0170 7.0170 7.1653 7.1653 8.2196 8.2196 8.5019 8.5019 8.9354 8.9354 9.0393 9.0393 k = 0.0594 0.5000 0.3432 ( 2722 PWs) bands (ev): -6.7293 -6.7293 -6.5266 -6.5266 1.3812 1.3812 1.4710 1.4710 3.2034 3.2034 3.2611 3.2611 3.7279 3.7279 3.8203 3.8203 5.8498 5.8498 6.2627 6.2627 6.6670 6.6670 6.8409 6.8409 6.9995 6.9995 7.1822 7.1822 8.1684 8.1684 8.5224 8.5224 8.9194 8.9194 9.0513 9.0513 k = 0.0713 0.5000 0.3432 ( 2718 PWs) bands (ev): -6.7451 -6.7451 -6.5021 -6.5021 1.3793 1.3793 1.4876 1.4876 3.1745 3.1745 3.2417 3.2417 3.7337 3.7337 3.8424 3.8424 5.8033 5.8033 6.2876 6.2876 6.6534 6.6534 6.8559 6.8559 6.9830 6.9830 7.1983 7.1983 8.1146 8.1146 8.5406 8.5406 8.9027 8.9027 9.0639 9.0639 k = 0.0832 0.5000 0.3432 ( 2718 PWs) bands (ev): -6.7602 -6.7602 -6.4770 -6.4770 1.3785 1.3785 1.5055 1.5055 3.1427 3.1427 3.2198 3.2198 3.7406 3.7406 3.8652 3.8652 5.7576 5.7576 6.3071 6.3071 6.6414 6.6414 6.8690 6.8690 6.9681 6.9681 7.2133 7.2133 8.0587 8.0587 8.5569 8.5569 8.8853 8.8853 9.0771 9.0771 k = 0.0951 0.5000 0.3432 ( 2720 PWs) bands (ev): -6.7744 -6.7744 -6.4512 -6.4512 1.3788 1.3788 1.5247 1.5247 3.1080 3.1080 3.1960 3.1960 3.7482 3.7482 3.8883 3.8883 5.7129 5.7129 6.3210 6.3210 6.6313 6.6313 6.8789 6.8789 6.9559 6.9559 7.2270 7.2270 8.0014 8.0014 8.5717 8.5717 8.8673 8.8673 9.0912 9.0912 k = 0.1070 0.5000 0.3432 ( 2718 PWs) bands (ev): -6.7879 -6.7879 -6.4248 -6.4248 1.3800 1.3800 1.5453 1.5453 3.0707 3.0707 3.1710 3.1710 3.7561 3.7561 3.9115 3.9115 5.6698 5.6698 6.3291 6.3291 6.6229 6.6229 6.8838 6.8838 6.9484 6.9484 7.2391 7.2391 7.9435 7.9435 8.5852 8.5852 8.8487 8.8487 9.1064 9.1064 k = 0.1188 0.5000 0.3432 ( 2720 PWs) bands (ev): -6.8006 -6.8006 -6.3979 -6.3979 1.3820 1.3820 1.5672 1.5672 3.0308 3.0308 3.1454 3.1454 3.7639 3.7639 3.9345 3.9345 5.6282 5.6282 6.3316 6.3316 6.6158 6.6158 6.8821 6.8821 6.9469 6.9469 7.2491 7.2491 7.8859 7.8859 8.5977 8.5977 8.8298 8.8298 9.1228 9.1228 k = 0.1307 0.5000 0.3432 ( 2720 PWs) bands (ev): -6.8125 -6.8125 -6.3705 -6.3705 1.3849 1.3849 1.5904 1.5904 2.9885 2.9885 3.1196 3.1196 3.7714 3.7714 3.9570 3.9570 5.5887 5.5887 6.3291 6.3291 6.6092 6.6092 6.8750 6.8750 6.9505 6.9505 7.2568 7.2568 7.8297 7.8297 8.6096 8.6096 8.8108 8.8108 9.1406 9.1406 k = 0.1426 0.5000 0.3432 ( 2716 PWs) bands (ev): -6.8237 -6.8237 -6.3426 -6.3426 1.3884 1.3884 1.6147 1.6147 2.9441 2.9441 3.0940 3.0940 3.7784 3.7784 3.9789 3.9789 5.5513 5.5513 6.3221 6.3221 6.6024 6.6024 6.8652 6.8652 6.9561 6.9561 7.2614 7.2614 7.7763 7.7763 8.6210 8.6210 8.7918 8.7918 9.1598 9.1598 k = 0.1545 0.5000 0.3432 ( 2718 PWs) bands (ev): -6.8342 -6.8342 -6.3142 -6.3142 1.3924 1.3924 1.6401 1.6401 2.8977 2.8977 3.0686 3.0686 3.7848 3.7848 3.9999 3.9999 5.5162 5.5162 6.3112 6.3112 6.5946 6.5946 6.8544 6.8544 6.9622 6.9622 7.2621 7.2621 7.7268 7.7268 8.6317 8.6317 8.7732 8.7732 9.1805 9.1805 k = 0.1664 0.5000 0.3432 ( 2720 PWs) bands (ev): -6.8439 -6.8439 -6.2856 -6.2856 1.3968 1.3968 1.6667 1.6667 2.8497 2.8497 3.0438 3.0438 3.7904 3.7904 4.0201 4.0201 5.4834 5.4834 6.2972 6.2972 6.5851 6.5851 6.8437 6.8437 6.9676 6.9676 7.2578 7.2578 7.6828 7.6828 8.6416 8.6416 8.7558 8.7558 9.2027 9.2027 k = 0.1783 0.5000 0.3432 ( 2716 PWs) bands (ev): -6.8530 -6.8530 -6.2566 -6.2566 1.4015 1.4015 1.6942 1.6942 2.8005 2.8005 3.0197 3.0197 3.7952 3.7952 4.0392 4.0392 5.4531 5.4531 6.2804 6.2804 6.5737 6.5737 6.8334 6.8334 6.9720 6.9720 7.2475 7.2475 7.6457 7.6457 8.6494 8.6494 8.7409 8.7409 9.2265 9.2265 k = 0.1901 0.5000 0.3432 ( 2716 PWs) bands (ev): -6.8614 -6.8614 -6.2275 -6.2275 1.4062 1.4062 1.7226 1.7226 2.7505 2.7505 2.9964 2.9964 3.7992 3.7992 4.0573 4.0573 5.4253 5.4253 6.2609 6.2609 6.5603 6.5603 6.8239 6.8239 6.9751 6.9751 7.2305 7.2305 7.6166 7.6166 8.6530 8.6530 8.7310 8.7310 9.2517 9.2517 k = 0.2020 0.5000 0.3432 ( 2712 PWs) bands (ev): -6.8692 -6.8692 -6.1982 -6.1982 1.4108 1.4108 1.7519 1.7519 2.6999 2.6999 2.9740 2.9740 3.8024 3.8024 4.0742 4.0742 5.4000 5.4000 6.2392 6.2392 6.5450 6.5450 6.8152 6.8152 6.9769 6.9769 7.2065 7.2065 7.5958 7.5958 8.6495 8.6495 8.7290 8.7290 9.2783 9.2783 k = 0.2139 0.5000 0.3432 ( 2712 PWs) bands (ev): -6.8763 -6.8763 -6.1688 -6.1688 1.4152 1.4152 1.7818 1.7818 2.6492 2.6492 2.9524 2.9524 3.8047 3.8047 4.0900 4.0900 5.3770 5.3770 6.2150 6.2150 6.5281 6.5281 6.8076 6.8076 6.9772 6.9772 7.1764 7.1764 7.5825 7.5825 8.6390 8.6390 8.7350 8.7350 9.3061 9.3061 k = 0.2258 0.5000 0.3432 ( 2708 PWs) bands (ev): -6.8829 -6.8829 -6.1395 -6.1395 1.4190 1.4190 1.8123 1.8123 2.5990 2.5990 2.9319 2.9319 3.8062 3.8062 4.1046 4.1046 5.3564 5.3564 6.1886 6.1886 6.5103 6.5103 6.8011 6.8011 6.9761 6.9761 7.1415 7.1415 7.5756 7.5756 8.6244 8.6244 8.7463 8.7463 9.3351 9.3351 k = 0.2377 0.5000 0.3432 ( 2706 PWs) bands (ev): -6.8889 -6.8889 -6.1103 -6.1103 1.4220 1.4220 1.8433 1.8433 2.5496 2.5496 2.9123 2.9123 3.8068 3.8068 4.1182 4.1182 5.3378 5.3378 6.1600 6.1600 6.4920 6.4920 6.7956 6.7956 6.9734 6.9734 7.1031 7.1031 7.5735 7.5735 8.6077 8.6077 8.7608 8.7608 9.3650 9.3650 k = 0.2496 0.5000 0.3432 ( 2706 PWs) bands (ev): -6.8944 -6.8944 -6.0813 -6.0813 1.4241 1.4241 1.8746 1.8746 2.5016 2.5016 2.8939 2.8939 3.8066 3.8066 4.1307 4.1307 5.3212 5.3212 6.1292 6.1292 6.4738 6.4738 6.7911 6.7911 6.9690 6.9690 7.0625 7.0625 7.5749 7.5749 8.5904 8.5904 8.7773 8.7773 9.3957 9.3957 k = 0.2614 0.5000 0.3432 ( 2704 PWs) bands (ev): -6.8993 -6.8993 -6.0526 -6.0526 1.4249 1.4249 1.9059 1.9059 2.4554 2.4554 2.8764 2.8764 3.8056 3.8056 4.1422 4.1422 5.3065 5.3065 6.0965 6.0965 6.4563 6.4563 6.7877 6.7877 6.9625 6.9625 7.0213 7.0213 7.5788 7.5788 8.5729 8.5729 8.7953 8.7953 9.4270 9.4270 k = 0.2733 0.5000 0.3432 ( 2702 PWs) bands (ev): -6.9038 -6.9038 -6.0243 -6.0243 1.4242 1.4242 1.9372 1.9372 2.4117 2.4117 2.8601 2.8601 3.8040 3.8040 4.1529 4.1529 5.2935 5.2935 6.0621 6.0621 6.4396 6.4396 6.7851 6.7851 6.9512 6.9512 6.9830 6.9830 7.5844 7.5844 8.5556 8.5556 8.8143 8.8143 9.4586 9.4586 k = 0.2852 0.5000 0.3432 ( 2694 PWs) bands (ev): -6.9079 -6.9079 -5.9965 -5.9965 1.4218 1.4218 1.9681 1.9681 2.3709 2.3709 2.8448 2.8448 3.8017 3.8017 4.1627 4.1627 5.2821 5.2821 6.0264 6.0264 6.4243 6.4243 6.7834 6.7834 6.9236 6.9236 6.9597 6.9597 7.5912 7.5912 8.5387 8.5387 8.8343 8.8343 9.4904 9.4904 k = 0.2971 0.5000 0.3432 ( 2696 PWs) bands (ev): -6.9115 -6.9115 -5.9693 -5.9693 1.4175 1.4175 1.9983 1.9983 2.3335 2.3335 2.8306 2.8306 3.7987 3.7987 4.1717 4.1717 5.2719 5.2719 5.9899 5.9899 6.4101 6.4101 6.7818 6.7818 6.8840 6.8840 6.9478 6.9478 7.5986 7.5986 8.5223 8.5223 8.8548 8.8548 9.5220 9.5220 k = 0.3090 0.5000 0.3432 ( 2698 PWs) bands (ev): -6.9148 -6.9148 -5.9429 -5.9429 1.4111 1.4111 2.0274 2.0274 2.3003 2.3003 2.8175 2.8175 3.7954 3.7954 4.1801 4.1801 5.2627 5.2627 5.9532 5.9532 6.3973 6.3973 6.7794 6.7794 6.8439 6.8439 6.9376 6.9376 7.6064 7.6064 8.5067 8.5067 8.8758 8.8758 9.5533 9.5533 k = 0.3209 0.5000 0.3432 ( 2700 PWs) bands (ev): -6.9177 -6.9177 -5.9173 -5.9173 1.4027 1.4027 2.0548 2.0548 2.2718 2.2718 2.8055 2.8055 3.7916 3.7916 4.1879 4.1879 5.2548 5.2548 5.9167 5.9167 6.3857 6.3857 6.7702 6.7702 6.8112 6.8112 6.9273 6.9273 7.6145 7.6145 8.4918 8.4918 8.8971 8.8971 9.5840 9.5840 k = 0.3328 0.5000 0.3432 ( 2702 PWs) bands (ev): -6.9202 -6.9202 -5.8926 -5.8926 1.3923 1.3923 2.0793 2.0793 2.2491 2.2491 2.7945 2.7945 3.7874 3.7874 4.1951 4.1951 5.2477 5.2477 5.8807 5.8807 6.3753 6.3753 6.7424 6.7424 6.7982 6.7982 6.9168 6.9168 7.6224 7.6224 8.4777 8.4777 8.9185 8.9185 9.6140 9.6140 k = 0.3446 0.5000 0.3432 ( 2704 PWs) bands (ev): -6.9225 -6.9225 -5.8690 -5.8690 1.3800 1.3800 2.0992 2.0992 2.2339 2.2339 2.7844 2.7844 3.7831 3.7831 4.2018 4.2018 5.2413 5.2413 5.8458 5.8458 6.3661 6.3661 6.7049 6.7049 6.7964 6.7964 6.9060 6.9060 7.6302 7.6302 8.4645 8.4645 8.9398 8.9398 9.6429 9.6429 k = 0.3565 0.5000 0.3432 ( 2704 PWs) bands (ev): -6.9244 -6.9244 -5.8466 -5.8466 1.3662 1.3662 2.1120 2.1120 2.2282 2.2282 2.7754 2.7754 3.7787 3.7787 4.2081 4.2081 5.2357 5.2357 5.8123 5.8123 6.3577 6.3577 6.6664 6.6664 6.7974 6.7974 6.8952 6.8952 7.6377 7.6377 8.4522 8.4522 8.9607 8.9607 9.6707 9.6707 k = 0.3684 0.5000 0.3432 ( 2706 PWs) bands (ev): -6.9261 -6.9261 -5.8255 -5.8255 1.3511 1.3511 2.1167 2.1167 2.2327 2.2327 2.7673 2.7673 3.7742 3.7742 4.2140 4.2140 5.2306 5.2306 5.7806 5.7806 6.3503 6.3503 6.6289 6.6289 6.7993 6.7993 6.8845 6.8845 7.6449 7.6449 8.4410 8.4410 8.9811 8.9811 9.6970 9.6970 k = 0.3803 0.5000 0.3432 ( 2706 PWs) bands (ev): -6.9276 -6.9276 -5.8058 -5.8058 1.3352 1.3352 2.1152 2.1152 2.2450 2.2450 2.7601 2.7601 3.7698 3.7698 4.2194 4.2194 5.2261 5.2261 5.7508 5.7508 6.3436 6.3436 6.5932 6.5932 6.8015 6.8015 6.8742 6.8742 7.6516 7.6516 8.4306 8.4306 9.0008 9.0008 9.7217 9.7217 k = 0.3922 0.5000 0.3432 ( 2708 PWs) bands (ev): -6.9288 -6.9288 -5.7876 -5.7876 1.3190 1.3190 2.1111 2.1111 2.2611 2.2611 2.7537 2.7537 3.7655 3.7655 4.2245 4.2245 5.2221 5.2221 5.7233 5.7233 6.3375 6.3375 6.5598 6.5598 6.8036 6.8036 6.8645 6.8645 7.6578 7.6578 8.4213 8.4213 9.0196 9.0196 9.7447 9.7447 k = 0.4041 0.5000 0.3432 ( 2716 PWs) bands (ev): -6.9299 -6.9299 -5.7710 -5.7710 1.3030 1.3030 2.1063 2.1063 2.2782 2.2782 2.7481 2.7481 3.7615 3.7615 4.2290 4.2290 5.2185 5.2185 5.6982 5.6982 6.3319 6.3319 6.5291 6.5291 6.8053 6.8053 6.8557 6.8557 7.6635 7.6635 8.4129 8.4129 9.0371 9.0371 9.7657 9.7657 k = 0.4159 0.5000 0.3432 ( 2708 PWs) bands (ev): -6.9308 -6.9308 -5.7561 -5.7561 1.2877 1.2877 2.1021 2.1021 2.2949 2.2949 2.7433 2.7433 3.7578 3.7578 4.2332 4.2332 5.2153 5.2153 5.6757 5.6757 6.3269 6.3269 6.5016 6.5016 6.8064 6.8064 6.8485 6.8485 7.6686 7.6686 8.4056 8.4056 9.0533 9.0533 9.7846 9.7846 k = 0.4278 0.5000 0.3432 ( 2704 PWs) bands (ev): -6.9315 -6.9315 -5.7430 -5.7430 1.2734 1.2734 2.0985 2.0985 2.3104 2.3104 2.7392 2.7392 3.7544 3.7544 4.2368 4.2368 5.2126 5.2126 5.6560 5.6560 6.3221 6.3221 6.4774 6.4774 6.8063 6.8063 6.8429 6.8429 7.6731 7.6731 8.3993 8.3993 9.0678 9.0678 9.8014 9.8014 k = 0.4397 0.5000 0.3432 ( 2706 PWs) bands (ev): -6.9320 -6.9320 -5.7318 -5.7318 1.2606 1.2606 2.0958 2.0958 2.3241 2.3241 2.7357 2.7357 3.7515 3.7515 4.2400 4.2400 5.2102 5.2102 5.6391 5.6391 6.3177 6.3177 6.4569 6.4569 6.8051 6.8051 6.8393 6.8393 7.6770 7.6770 8.3939 8.3939 9.0804 9.0804 9.8157 9.8157 k = 0.4516 0.5000 0.3432 ( 2702 PWs) bands (ev): -6.9324 -6.9324 -5.7225 -5.7225 1.2497 1.2497 2.0938 2.0938 2.3357 2.3357 2.7329 2.7329 3.7491 3.7491 4.2426 4.2426 5.2082 5.2082 5.6252 5.6252 6.3137 6.3137 6.4403 6.4403 6.8030 6.8030 6.8374 6.8374 7.6801 7.6801 8.3896 8.3896 9.0911 9.0911 9.8277 9.8277 k = 0.4635 0.5000 0.3432 ( 2702 PWs) bands (ev): -6.9327 -6.9327 -5.7152 -5.7152 1.2408 1.2408 2.0924 2.0924 2.3449 2.3449 2.7308 2.7308 3.7471 3.7471 4.2446 4.2446 5.2066 5.2066 5.6143 5.6143 6.3102 6.3102 6.4275 6.4275 6.8005 6.8005 6.8365 6.8365 7.6826 7.6826 8.3861 8.3861 9.0995 9.0995 9.8372 9.8372 k = 0.4754 0.5000 0.3432 ( 2698 PWs) bands (ev): -6.9329 -6.9329 -5.7099 -5.7099 1.2343 1.2343 2.0916 2.0916 2.3517 2.3517 2.7292 2.7292 3.7457 3.7457 4.2460 4.2460 5.2054 5.2054 5.6064 5.6064 6.3075 6.3075 6.4185 6.4185 6.7984 6.7984 6.8365 6.8365 7.6844 7.6844 8.3836 8.3836 9.1057 9.1057 9.8440 9.8440 k = 0.4872 0.5000 0.3432 ( 2702 PWs) bands (ev): -6.9330 -6.9330 -5.7067 -5.7067 1.2303 1.2303 2.0911 2.0911 2.3558 2.3558 2.7282 2.7282 3.7448 3.7448 4.2468 4.2468 5.2046 5.2046 5.6016 5.6016 6.3056 6.3056 6.4131 6.4131 6.7969 6.7969 6.8365 6.8365 7.6855 7.6855 8.3820 8.3820 9.1094 9.1094 9.8483 9.8483 k = 0.4991 0.5000 0.3432 ( 2704 PWs) bands (ev): -6.9330 -6.9330 -5.7056 -5.7056 1.2289 1.2289 2.0910 2.0910 2.3573 2.3573 2.7278 2.7278 3.7444 3.7444 4.2470 4.2470 5.2042 5.2042 5.6000 5.6000 6.3050 6.3050 6.4113 6.4113 6.7964 6.7964 6.8367 6.8367 7.6859 7.6859 8.3814 8.3814 9.1106 9.1106 9.8498 9.8498 k = 0.4991 0.5000 0.3432 ( 2704 PWs) bands (ev): -6.9330 -6.9330 -5.7056 -5.7056 1.2289 1.2289 2.0910 2.0910 2.3573 2.3573 2.7278 2.7278 3.7444 3.7444 4.2470 4.2470 5.2042 5.2042 5.6000 5.6000 6.3050 6.3050 6.4113 6.4113 6.7964 6.7964 6.8367 6.8367 7.6859 7.6859 8.3814 8.3814 9.1106 9.1106 9.8498 9.8498 k = 0.4908 0.4917 0.3432 ( 2700 PWs) bands (ev): -6.9336 -6.9336 -5.7060 -5.7060 1.2296 1.2296 2.0902 2.0902 2.3561 2.3561 2.7288 2.7288 3.7453 3.7453 4.2484 4.2484 5.2058 5.2058 5.6005 5.6005 6.3052 6.3052 6.4120 6.4120 6.7966 6.7966 6.8358 6.8358 7.6856 7.6856 8.3828 8.3828 9.1108 9.1108 9.8478 9.8478 k = 0.4825 0.4833 0.3432 ( 2700 PWs) bands (ev): -6.9352 -6.9352 -5.7071 -5.7071 1.2315 1.2315 2.0882 2.0882 2.3529 2.3529 2.7315 2.7315 3.7478 3.7478 4.2520 4.2520 5.2101 5.2101 5.6019 5.6019 6.3056 6.3056 6.4140 6.4140 6.7970 6.7970 6.8337 6.8337 7.6848 7.6848 8.3865 8.3865 9.1112 9.1112 9.8422 9.8422 k = 0.4742 0.4750 0.3432 ( 2696 PWs) bands (ev): -6.9377 -6.9377 -5.7087 -5.7087 1.2346 1.2346 2.0850 2.0850 2.3478 2.3478 2.7358 2.7358 3.7518 3.7518 4.2579 4.2579 5.2169 5.2169 5.6041 5.6041 6.3063 6.3063 6.4173 6.4173 6.7977 6.7977 6.8302 6.8302 7.6835 7.6835 8.3924 8.3924 9.1120 9.1120 9.8332 9.8332 k = 0.4659 0.4667 0.3432 ( 2702 PWs) bands (ev): -6.9413 -6.9413 -5.7111 -5.7111 1.2388 1.2388 2.0805 2.0805 2.3410 2.3410 2.7414 2.7414 3.7574 3.7574 4.2660 4.2660 5.2265 5.2265 5.6071 5.6071 6.3071 6.3071 6.4216 6.4216 6.7986 6.7986 6.8253 6.8253 7.6817 7.6817 8.4006 8.4006 9.1129 9.1129 9.8208 9.8208 k = 0.4575 0.4583 0.3432 ( 2702 PWs) bands (ev): -6.9458 -6.9458 -5.7140 -5.7140 1.2442 1.2442 2.0750 2.0750 2.3329 2.3329 2.7483 2.7483 3.7645 3.7645 4.2762 4.2762 5.2386 5.2386 5.6109 5.6109 6.3083 6.3083 6.4270 6.4270 6.7998 6.7998 6.8194 6.8194 7.6794 7.6794 8.4109 8.4109 9.1142 9.1142 9.8050 9.8050 k = 0.4492 0.4500 0.3432 ( 2702 PWs) bands (ev): -6.9513 -6.9513 -5.7176 -5.7176 1.2507 1.2507 2.0685 2.0685 2.3236 2.3236 2.7562 2.7562 3.7731 3.7731 4.2883 4.2883 5.2533 5.2533 5.6152 5.6152 6.3097 6.3097 6.4334 6.4334 6.8008 6.8008 6.8126 6.8126 7.6768 7.6768 8.4232 8.4232 9.1157 9.1157 9.7859 9.7859 k = 0.4409 0.4417 0.3432 ( 2710 PWs) bands (ev): -6.9578 -6.9578 -5.7218 -5.7218 1.2583 1.2583 2.0611 2.0611 2.3134 2.3134 2.7649 2.7649 3.7832 3.7832 4.3024 4.3024 5.2705 5.2705 5.6202 5.6202 6.3110 6.3110 6.4407 6.4407 6.7992 6.7992 6.8073 6.8073 7.6736 7.6736 8.4375 8.4375 9.1175 9.1175 9.7635 9.7635 k = 0.4326 0.4333 0.3432 ( 2718 PWs) bands (ev): -6.9651 -6.9651 -5.7267 -5.7267 1.2670 1.2670 2.0528 2.0528 2.3027 2.3027 2.7742 2.7742 3.7948 3.7948 4.3181 4.3181 5.2904 5.2904 5.6257 5.6257 6.3126 6.3126 6.4487 6.4487 6.7912 6.7912 6.8075 6.8075 7.6703 7.6703 8.4536 8.4536 9.1196 9.1196 9.7379 9.7379 k = 0.4243 0.4250 0.3432 ( 2714 PWs) bands (ev): -6.9734 -6.9734 -5.7321 -5.7321 1.2767 1.2767 2.0440 2.0440 2.2916 2.2916 2.7841 2.7841 3.8079 3.8079 4.3355 4.3355 5.3128 5.3128 5.6317 5.6317 6.3143 6.3143 6.4573 6.4573 6.7806 6.7806 6.8097 6.8097 7.6666 7.6666 8.4714 8.4714 9.1220 9.1220 9.7094 9.7094 k = 0.4159 0.4167 0.3432 ( 2722 PWs) bands (ev): -6.9825 -6.9825 -5.7381 -5.7381 1.2875 1.2875 2.0346 2.0346 2.2803 2.2803 2.7943 2.7943 3.8225 3.8225 4.3543 4.3543 5.3377 5.3377 5.6380 5.6380 6.3159 6.3159 6.4662 6.4662 6.7683 6.7683 6.8126 6.8126 7.6627 7.6627 8.4908 8.4908 9.1247 9.1247 9.6777 9.6777 k = 0.4076 0.4083 0.3432 ( 2722 PWs) bands (ev): -6.9925 -6.9925 -5.7447 -5.7447 1.2992 1.2992 2.0248 2.0248 2.2691 2.2691 2.8049 2.8049 3.8385 3.8385 4.3744 4.3744 5.3653 5.3653 5.6446 5.6446 6.3176 6.3176 6.4754 6.4754 6.7552 6.7552 6.8159 6.8159 7.6587 7.6587 8.5114 8.5114 9.1278 9.1278 9.6433 9.6433 k = 0.3993 0.4000 0.3432 ( 2714 PWs) bands (ev): -7.0034 -7.0034 -5.7518 -5.7518 1.3119 1.3119 2.0148 2.0148 2.2581 2.2581 2.8157 2.8157 3.8559 3.8559 4.3956 4.3956 5.3951 5.3951 5.6515 5.6515 6.3193 6.3193 6.4845 6.4845 6.7413 6.7413 6.8198 6.8198 7.6546 7.6546 8.5333 8.5333 9.1311 9.1311 9.6062 9.6062 k = 0.3910 0.3917 0.3432 ( 2714 PWs) bands (ev): -7.0150 -7.0150 -5.7595 -5.7595 1.3254 1.3254 2.0046 2.0046 2.2474 2.2474 2.8268 2.8268 3.8747 3.8747 4.4176 4.4176 5.4274 5.4274 5.6585 5.6585 6.3209 6.3209 6.4933 6.4933 6.7263 6.7263 6.8241 6.8241 7.6505 7.6505 8.5562 8.5562 9.1347 9.1347 9.5664 9.5664 k = 0.3827 0.3833 0.3432 ( 2708 PWs) bands (ev): -7.0274 -7.0274 -5.7676 -5.7676 1.3398 1.3398 1.9945 1.9945 2.2373 2.2373 2.8380 2.8380 3.8949 3.8949 4.4404 4.4404 5.4619 5.4619 5.6658 5.6658 6.3224 6.3224 6.5016 6.5016 6.7107 6.7107 6.8289 6.8289 7.6464 7.6464 8.5799 8.5799 9.1386 9.1386 9.5242 9.5242 k = 0.3743 0.3750 0.3432 ( 2704 PWs) bands (ev): -7.0406 -7.0406 -5.7763 -5.7763 1.3550 1.3550 1.9845 1.9845 2.2278 2.2278 2.8495 2.8495 3.9165 3.9165 4.4637 4.4637 5.4989 5.4989 5.6732 5.6732 6.3235 6.3235 6.5090 6.5090 6.6946 6.6946 6.8343 6.8343 7.6424 7.6424 8.6042 8.6042 9.1429 9.1429 9.4798 9.4798 k = 0.3660 0.3667 0.3432 ( 2698 PWs) bands (ev): -7.0544 -7.0544 -5.7855 -5.7855 1.3710 1.3710 1.9748 1.9748 2.2189 2.2189 2.8612 2.8612 3.9394 3.9394 4.4872 4.4872 5.5378 5.5378 5.6809 5.6809 6.3244 6.3244 6.5154 6.5154 6.6782 6.6782 6.8402 6.8402 7.6387 7.6387 8.6288 8.6288 9.1475 9.1475 9.4332 9.4332 k = 0.3577 0.3583 0.3432 ( 2698 PWs) bands (ev): -7.0690 -7.0690 -5.7951 -5.7951 1.3876 1.3876 1.9654 1.9654 2.2108 2.2108 2.8732 2.8732 3.9636 3.9636 4.5108 4.5108 5.5785 5.5785 5.6889 5.6889 6.3248 6.3248 6.5205 6.5205 6.6616 6.6616 6.8467 6.8467 7.6352 7.6352 8.6538 8.6538 9.1524 9.1524 9.3847 9.3847 k = 0.3494 0.3500 0.3432 ( 2698 PWs) bands (ev): -7.0841 -7.0841 -5.8051 -5.8051 1.4048 1.4048 1.9566 1.9566 2.2034 2.2034 2.8855 2.8855 3.9890 3.9890 4.5343 4.5343 5.6202 5.6202 5.6981 5.6981 6.3248 6.3248 6.5239 6.5239 6.6453 6.6453 6.8539 6.8539 7.6320 7.6320 8.6789 8.6789 9.1577 9.1577 9.3345 9.3345 k = 0.3411 0.3417 0.3432 ( 2698 PWs) bands (ev): -7.0998 -7.0998 -5.8155 -5.8155 1.4226 1.4226 1.9484 1.9484 2.1969 2.1969 2.8982 2.8982 4.0156 4.0156 4.5574 4.5574 5.6601 5.6601 5.7110 5.7110 6.3243 6.3243 6.5255 6.5255 6.6293 6.6293 6.8619 6.8619 7.6291 7.6291 8.7038 8.7038 9.1632 9.1632 9.2826 9.2826 k = 0.3328 0.3333 0.3432 ( 2700 PWs) bands (ev): -7.1161 -7.1161 -5.8263 -5.8263 1.4409 1.4409 1.9409 1.9409 2.1912 2.1912 2.9114 2.9114 4.0435 4.0435 4.5798 4.5798 5.6894 5.6894 5.7365 5.7365 6.3232 6.3232 6.5249 6.5249 6.6141 6.6141 6.8708 6.8708 7.6268 7.6268 8.7286 8.7286 9.1689 9.1689 9.2295 9.2295 k = 0.3244 0.3250 0.3432 ( 2700 PWs) bands (ev): -7.1328 -7.1328 -5.8374 -5.8374 1.4596 1.4596 1.9342 1.9342 2.1863 2.1863 2.9250 2.9250 4.0724 4.0724 4.6013 4.6013 5.7042 5.7042 5.7781 5.7781 6.3215 6.3215 6.5221 6.5221 6.5998 6.5998 6.8807 6.8807 7.6250 7.6250 8.7530 8.7530 9.1672 9.1672 9.1827 9.1827 k = 0.3161 0.3167 0.3432 ( 2698 PWs) bands (ev): -7.1500 -7.1500 -5.8488 -5.8488 1.4787 1.4787 1.9285 1.9285 2.1822 2.1822 2.9393 2.9393 4.1025 4.1025 4.6217 4.6217 5.7138 5.7138 5.8265 5.8265 6.3191 6.3191 6.5170 6.5170 6.5868 6.5868 6.8916 6.8916 7.6237 7.6237 8.7770 8.7770 9.1164 9.1164 9.1842 9.1842 k = 0.3078 0.3083 0.3432 ( 2702 PWs) bands (ev): -7.1676 -7.1676 -5.8606 -5.8606 1.4981 1.4981 1.9236 1.9236 2.1789 2.1789 2.9543 2.9543 4.1336 4.1336 4.6408 4.6408 5.7217 5.7217 5.8777 5.8777 6.3160 6.3160 6.5097 6.5097 6.5750 6.5750 6.9038 6.9038 7.6230 7.6230 8.8005 8.8005 9.0594 9.0594 9.1912 9.1912 k = 0.2995 0.3000 0.3432 ( 2702 PWs) bands (ev): -7.1855 -7.1855 -5.8725 -5.8725 1.5178 1.5178 1.9198 1.9198 2.1764 2.1764 2.9701 2.9701 4.1656 4.1656 4.6582 4.6582 5.7290 5.7290 5.9307 5.9307 6.3122 6.3122 6.5006 6.5006 6.5643 6.5643 6.9175 6.9175 7.6231 7.6231 8.8232 8.8232 9.0013 9.0013 9.1990 9.1990 k = 0.2912 0.2917 0.3432 ( 2698 PWs) bands (ev): -7.2038 -7.2038 -5.8847 -5.8847 1.5376 1.5376 1.9171 1.9171 2.1745 2.1745 2.9868 2.9868 4.1985 4.1985 4.6738 4.6738 5.7360 5.7360 5.9847 5.9847 6.3078 6.3078 6.4902 6.4902 6.5546 6.5546 6.9328 6.9328 7.6239 7.6239 8.8445 8.8445 8.9427 8.9427 9.2073 9.2073 k = 0.2828 0.2833 0.3432 ( 2702 PWs) bands (ev): -7.2223 -7.2223 -5.8971 -5.8971 1.5575 1.5575 1.9155 1.9155 2.1733 2.1733 3.0044 3.0044 4.2322 4.2322 4.6872 4.6872 5.7428 5.7428 6.0392 6.0392 6.3026 6.3026 6.4785 6.4785 6.5459 6.5459 6.9502 6.9502 7.6254 7.6254 8.8570 8.8570 8.8913 8.8913 9.2163 9.2163 k = 0.2745 0.2750 0.3432 ( 2702 PWs) bands (ev): -7.2409 -7.2409 -5.9096 -5.9096 1.5775 1.5775 1.9151 1.9151 2.1727 2.1727 3.0231 3.0231 4.2667 4.2667 4.6984 4.6984 5.7495 5.7495 6.0937 6.0937 6.2969 6.2969 6.4658 6.4658 6.5386 6.5386 6.9698 6.9698 7.6276 7.6276 8.8134 8.8134 8.8945 8.8945 9.2259 9.2259 k = 0.2662 0.2667 0.3432 ( 2702 PWs) bands (ev): -7.2597 -7.2597 -5.9222 -5.9222 1.5974 1.5974 1.9158 1.9158 2.1725 2.1725 3.0430 3.0430 4.3017 4.3017 4.7072 4.7072 5.7561 5.7561 6.1474 6.1474 6.2910 6.2910 6.4518 6.4518 6.5331 6.5331 6.9920 6.9920 7.6305 7.6305 8.7523 8.7523 8.9137 8.9137 9.2361 9.2361 k = 0.2579 0.2583 0.3432 ( 2702 PWs) bands (ev): -7.2786 -7.2786 -5.9349 -5.9349 1.6172 1.6172 1.9178 1.9178 2.1728 2.1728 3.0641 3.0641 4.3372 4.3372 4.7135 4.7135 5.7627 5.7627 6.1982 6.1982 6.2861 6.2861 6.4362 6.4362 6.5301 6.5301 7.0173 7.0173 7.6341 7.6341 8.6889 8.6889 8.9337 8.9337 9.2471 9.2471 k = 0.2496 0.2500 0.3432 ( 2708 PWs) bands (ev): -7.2976 -7.2976 -5.9476 -5.9476 1.6369 1.6369 1.9210 1.9210 2.1734 2.1734 3.0865 3.0865 4.3728 4.3728 4.7173 4.7173 5.7691 5.7691 6.2385 6.2385 6.2895 6.2895 6.4189 6.4189 6.5299 6.5299 7.0461 7.0461 7.6384 7.6384 8.6243 8.6243 8.9536 8.9536 9.2588 9.2588 k = 0.2412 0.2417 0.3432 ( 2708 PWs) bands (ev): -7.3165 -7.3165 -5.9604 -5.9604 1.6564 1.6564 1.9253 1.9253 2.1744 2.1744 3.1103 3.1103 4.4084 4.4084 4.7188 4.7188 5.7756 5.7756 6.2491 6.2491 6.3197 6.3197 6.4000 6.4000 6.5330 6.5330 7.0790 7.0790 7.6434 7.6434 8.5587 8.5587 8.9733 8.9733 9.2714 9.2714 k = 0.2329 0.2333 0.3432 ( 2710 PWs) bands (ev): -7.3354 -7.3354 -5.9731 -5.9731 1.6756 1.6756 1.9308 1.9308 2.1756 2.1756 3.1355 3.1355 4.4433 4.4433 4.7184 4.7184 5.7821 5.7821 6.2432 6.2432 6.3615 6.3615 6.3810 6.3810 6.5393 6.5393 7.1162 7.1162 7.6489 7.6489 8.4922 8.4922 8.9929 8.9929 9.2850 9.2850 k = 0.2246 0.2250 0.3432 ( 2710 PWs) bands (ev): -7.3541 -7.3541 -5.9858 -5.9858 1.6945 1.6945 1.9375 1.9375 2.1769 2.1769 3.1621 3.1621 4.4769 4.4769 4.7168 4.7168 5.7885 5.7885 6.2333 6.2333 6.3564 6.3564 6.4078 6.4078 6.5489 6.5489 7.1580 7.1580 7.6551 7.6551 8.4248 8.4248 9.0125 9.0125 9.2996 9.2996 k = 0.2163 0.2167 0.3432 ( 2714 PWs) bands (ev): -7.3727 -7.3727 -5.9983 -5.9983 1.7130 1.7130 1.9453 1.9453 2.1783 2.1783 3.1902 3.1902 4.5076 4.5076 4.7156 4.7156 5.7948 5.7948 6.2217 6.2217 6.3339 6.3339 6.4485 6.4485 6.5615 6.5615 7.2046 7.2046 7.6619 7.6619 8.3565 8.3565 9.0321 9.0321 9.3154 9.3154 k = 0.2080 0.2083 0.3432 ( 2714 PWs) bands (ev): -7.3910 -7.3910 -6.0107 -6.0107 1.7312 1.7312 1.9541 1.9541 2.1798 2.1798 3.2197 3.2197 4.5333 4.5333 4.7169 4.7169 5.8012 5.8012 6.2089 6.2089 6.3103 6.3103 6.4863 6.4863 6.5773 6.5773 7.2562 7.2562 7.6691 7.6691 8.2876 8.2876 9.0519 9.0519 9.3326 9.3326 k = 0.1997 0.2000 0.3432 ( 2712 PWs) bands (ev): -7.4091 -7.4091 -6.0230 -6.0230 1.7489 1.7489 1.9639 1.9639 2.1814 2.1814 3.2506 3.2506 4.5507 4.5507 4.7242 4.7242 5.8075 5.8075 6.1950 6.1950 6.2861 6.2861 6.5208 6.5208 6.5958 6.5958 7.3123 7.3123 7.6767 7.6767 8.2179 8.2179 9.0720 9.0720 9.3513 9.3513 k = 0.1913 0.1917 0.3432 ( 2724 PWs) bands (ev): -7.4268 -7.4268 -6.0350 -6.0350 1.7661 1.7661 1.9745 1.9745 2.1829 2.1829 3.2829 3.2829 4.5572 4.5572 4.7400 4.7400 5.8138 5.8138 6.1800 6.1800 6.2616 6.2616 6.5518 6.5518 6.6168 6.6168 7.3725 7.3725 7.6846 7.6846 8.1477 8.1477 9.0925 9.0925 9.3716 9.3716 k = 0.1830 0.1833 0.3432 ( 2728 PWs) bands (ev): -7.4442 -7.4442 -6.0468 -6.0468 1.7830 1.7830 1.9860 1.9860 2.1844 2.1844 3.3165 3.3165 4.5532 4.5532 4.7644 4.7644 5.8200 5.8200 6.1641 6.1641 6.2372 6.2372 6.5797 6.5797 6.6401 6.6401 7.4366 7.4366 7.6930 7.6930 8.0770 8.0770 9.1135 9.1135 9.3939 9.3939 k = 0.1747 0.1750 0.3432 ( 2720 PWs) bands (ev): -7.4612 -7.4612 -6.0584 -6.0584 1.7993 1.7993 1.9981 1.9981 2.1859 2.1859 3.3513 3.3513 4.5410 4.5410 4.7951 4.7951 5.8262 5.8262 6.1472 6.1472 6.2134 6.2134 6.6046 6.6046 6.6657 6.6657 7.5031 7.5031 7.7020 7.7020 8.0060 8.0060 9.1352 9.1352 9.4185 9.4185 k = 0.1664 0.1667 0.3432 ( 2720 PWs) bands (ev): -7.4776 -7.4776 -6.0696 -6.0696 1.8152 1.8152 2.0108 2.0108 2.1873 2.1873 3.3872 3.3872 4.5233 4.5233 4.8296 4.8296 5.8323 5.8323 6.1291 6.1291 6.1902 6.1902 6.6266 6.6266 6.6931 6.6931 7.5710 7.5710 7.7119 7.7119 7.9349 7.9349 9.1577 9.1577 9.4456 9.4456 k = 0.1581 0.1583 0.3432 ( 2716 PWs) bands (ev): -7.4936 -7.4936 -6.0805 -6.0805 1.8306 1.8306 2.0240 2.0240 2.1887 2.1887 3.4240 3.4240 4.5019 4.5019 4.8665 4.8665 5.8384 5.8384 6.1099 6.1099 6.1681 6.1681 6.6461 6.6461 6.7221 6.7221 7.6372 7.6372 7.7248 7.7248 7.8642 7.8642 9.1812 9.1812 9.4756 9.4756 k = 0.1497 0.1500 0.3432 ( 2716 PWs) bands (ev): -7.5091 -7.5091 -6.0911 -6.0911 1.8454 1.8454 2.0375 2.0375 2.1901 2.1901 3.4616 3.4616 4.4779 4.4779 4.9047 4.9047 5.8442 5.8442 6.0896 6.0896 6.1473 6.1473 6.6634 6.6634 6.7523 6.7523 7.6889 7.6889 7.7512 7.7512 7.7954 7.7954 9.2057 9.2057 9.5088 9.5088 k = 0.1414 0.1417 0.3432 ( 2716 PWs) bands (ev): -7.5239 -7.5239 -6.1012 -6.1012 1.8597 1.8597 2.0511 2.0511 2.1915 2.1915 3.4998 3.4998 4.4522 4.4522 4.9436 4.9436 5.8498 5.8498 6.0683 6.0683 6.1280 6.1280 6.6788 6.6788 6.7832 6.7832 7.6970 7.6970 7.7415 7.7415 7.8063 7.8063 9.2312 9.2312 9.5457 9.5457 k = 0.1331 0.1333 0.3432 ( 2708 PWs) bands (ev): -7.5381 -7.5381 -6.1109 -6.1109 1.8733 1.8733 2.0649 2.0649 2.1929 2.1929 3.5384 3.5384 4.4254 4.4254 4.9829 4.9829 5.8552 5.8552 6.0464 6.0464 6.1101 6.1101 6.6926 6.6926 6.8146 6.8146 7.6427 7.6427 7.7381 7.7381 7.8733 7.8733 9.2579 9.2579 9.5869 9.5869 k = 0.1248 0.1250 0.3432 ( 2712 PWs) bands (ev): -7.5517 -7.5517 -6.1202 -6.1202 1.8863 1.8863 2.0785 2.0785 2.1944 2.1944 3.5770 3.5770 4.3978 4.3978 5.0222 5.0222 5.8600 5.8600 6.0240 6.0240 6.0936 6.0936 6.7050 6.7050 6.8460 6.8460 7.5752 7.5752 7.7454 7.7454 7.9414 7.9414 9.2859 9.2859 9.6327 9.6327 k = 0.1165 0.1167 0.3432 ( 2716 PWs) bands (ev): -7.5645 -7.5645 -6.1290 -6.1290 1.8986 1.8986 2.0919 2.0919 2.1961 2.1961 3.6156 3.6156 4.3701 4.3701 5.0614 5.0614 5.8641 5.8641 6.0017 6.0017 6.0786 6.0786 6.7160 6.7160 6.8772 6.8772 7.5073 7.5073 7.7530 7.7530 8.0080 8.0080 9.3150 9.3150 9.6836 9.6836 k = 0.1081 0.1083 0.3432 ( 2714 PWs) bands (ev): -7.5767 -7.5767 -6.1373 -6.1373 1.9102 1.9102 2.1049 2.1049 2.1980 2.1980 3.6537 3.6537 4.3425 4.3425 5.1003 5.1003 5.8671 5.8671 5.9798 5.9798 6.0652 6.0652 6.7260 6.7260 6.9079 6.9079 7.4403 7.4403 7.7605 7.7605 8.0721 8.0721 9.3453 9.3453 9.7402 9.7402 k = 0.0998 0.1000 0.3432 ( 2710 PWs) bands (ev): -7.5880 -7.5880 -6.1451 -6.1451 1.9211 1.9211 2.1172 2.1172 2.2003 2.2003 3.6912 3.6912 4.3154 4.3154 5.1389 5.1389 5.8682 5.8682 5.9593 5.9593 6.0535 6.0535 6.7349 6.7349 6.9375 6.9375 7.3750 7.3750 7.7675 7.7675 8.1327 8.1327 9.3768 9.3768 9.8028 9.8028 k = 0.0915 0.0917 0.3432 ( 2710 PWs) bands (ev): -7.5985 -7.5985 -6.1524 -6.1524 1.9311 1.9311 2.1286 2.1286 2.2030 2.2030 3.7276 3.7276 4.2890 4.2890 5.1768 5.1768 5.8660 5.8660 5.9412 5.9412 6.0437 6.0437 6.7428 6.7428 6.9659 6.9659 7.3118 7.3118 7.7740 7.7740 8.1891 8.1891 9.4091 9.4091 9.8717 9.8717 k = 0.0832 0.0833 0.3432 ( 2706 PWs) bands (ev): -7.6083 -7.6083 -6.1590 -6.1590 1.9403 1.9403 2.1390 2.1390 2.2062 2.2062 3.7626 3.7626 4.2637 4.2637 5.2141 5.2141 5.8587 5.8587 5.9274 5.9274 6.0361 6.0361 6.7500 6.7500 6.9927 6.9927 7.2512 7.2512 7.7800 7.7800 8.2409 8.2409 9.4421 9.4421 9.9472 9.9472 k = 0.0749 0.0750 0.3432 ( 2706 PWs) bands (ev): -7.6171 -7.6171 -6.1651 -6.1651 1.9486 1.9486 2.1480 2.1480 2.2101 2.2101 3.7959 3.7959 4.2398 4.2398 5.2505 5.2505 5.8451 5.8451 5.9187 5.9187 6.0307 6.0307 6.7563 6.7563 7.0174 7.0174 7.1940 7.1940 7.7855 7.7855 8.2877 8.2877 9.4755 9.4755 10.0293 10.0293 k = 0.0666 0.0667 0.3432 ( 2704 PWs) bands (ev): -7.6251 -7.6251 -6.1706 -6.1706 1.9561 1.9561 2.1555 2.1555 2.2147 2.2147 3.8271 3.8271 4.2174 4.2174 5.2861 5.2861 5.8267 5.8267 5.9138 5.9138 6.0276 6.0276 6.7618 6.7618 7.0392 7.0392 7.1413 7.1413 7.7905 7.7905 8.3293 8.3293 9.5087 9.5087 10.1181 10.1181 k = 0.0582 0.0583 0.3432 ( 2696 PWs) bands (ev): -7.6322 -7.6322 -6.1755 -6.1755 1.9627 1.9627 2.1615 2.1615 2.2198 2.2198 3.8558 3.8558 4.1969 4.1969 5.3206 5.3206 5.8056 5.8056 5.9109 5.9109 6.0266 6.0266 6.7666 6.7666 7.0532 7.0532 7.0982 7.0982 7.7950 7.7950 8.3659 8.3659 9.5413 9.5413 10.2132 10.2132 k = 0.0499 0.0500 0.3432 ( 2692 PWs) bands (ev): -7.6384 -7.6384 -6.1798 -6.1798 1.9684 1.9684 2.1662 2.1662 2.2252 2.2252 3.8818 3.8818 4.1784 4.1784 5.3537 5.3537 5.7830 5.7830 5.9088 5.9088 6.0274 6.0274 6.7706 6.7706 7.0341 7.0341 7.0907 7.0907 7.7989 7.7989 8.3971 8.3971 9.5725 9.5725 10.3144 10.3144 k = 0.0416 0.0417 0.3432 ( 2684 PWs) bands (ev): -7.6437 -7.6437 -6.1834 -6.1834 1.9732 1.9732 2.1698 2.1698 2.2304 2.2304 3.9047 3.9047 4.1622 4.1622 5.3852 5.3852 5.7599 5.7599 5.9070 5.9070 6.0295 6.0295 6.7740 6.7740 6.9980 6.9980 7.1030 7.1030 7.8023 7.8023 8.4232 8.4232 9.6014 9.6014 10.4213 10.4213 k = 0.0333 0.0333 0.3432 ( 2680 PWs) bands (ev): -7.6480 -7.6480 -6.1864 -6.1864 1.9771 1.9771 2.1724 2.1724 2.2352 2.2352 3.9241 3.9241 4.1484 4.1484 5.4144 5.4144 5.7374 5.7374 5.9055 5.9055 6.0323 6.0323 6.7766 6.7766 6.9652 6.9652 7.1154 7.1154 7.8050 7.8050 8.4443 8.4443 9.6271 9.6271 10.5330 10.5330 k = 0.0250 0.0250 0.3432 ( 2676 PWs) bands (ev): -7.6514 -7.6514 -6.1887 -6.1887 1.9801 1.9801 2.1743 2.1743 2.2393 2.2393 3.9398 3.9398 4.1373 4.1373 5.4406 5.4406 5.7162 5.7162 5.9042 5.9042 6.0352 6.0352 6.7785 6.7785 6.9386 6.9386 7.1255 7.1255 7.8071 7.8071 8.4605 8.4605 9.6486 9.6486 10.6487 10.6487 k = 0.0166 0.0167 0.3432 ( 2674 PWs) bands (ev): -7.6538 -7.6538 -6.1904 -6.1904 1.9823 1.9823 2.1755 2.1755 2.2423 2.2423 3.9513 3.9513 4.1291 4.1291 5.4622 5.4622 5.6982 5.6982 5.9032 5.9032 6.0377 6.0377 6.7798 6.7798 6.9190 6.9190 7.1329 7.1329 7.8086 7.8086 8.4720 8.4720 9.6649 9.6649 10.7660 10.7660 k = 0.0083 0.0083 0.3432 ( 2682 PWs) bands (ev): -7.6553 -7.6553 -6.1914 -6.1914 1.9836 1.9836 2.1762 2.1762 2.2442 2.2442 3.9582 3.9582 4.1241 4.1241 5.4769 5.4769 5.6855 5.6855 5.9025 5.9025 6.0395 6.0395 6.7805 6.7805 6.9070 6.9070 7.1373 7.1373 7.8094 7.8094 8.4789 8.4789 9.6750 9.6750 10.8771 10.8771 k = 0.0000 0.0000 0.3432 ( 2678 PWs) bands (ev): -7.6557 -7.6557 -6.1917 -6.1917 1.9840 1.9840 2.1764 2.1764 2.2448 2.2448 3.9607 3.9607 4.1224 4.1224 5.4823 5.4823 5.6809 5.6809 5.9023 5.9023 6.0401 6.0401 6.7808 6.7808 6.9030 6.9030 7.1388 7.1388 7.8098 7.8098 8.4811 8.4811 9.6785 9.6785 10.9395 10.9395 k = 0.0000 0.0000 0.3432 ( 2678 PWs) bands (ev): -7.6557 -7.6557 -6.1917 -6.1917 1.9840 1.9840 2.1764 2.1764 2.2448 2.2448 3.9607 3.9607 4.1224 4.1224 5.4823 5.4823 5.6809 5.6809 5.9023 5.9023 6.0401 6.0401 6.7808 6.7808 6.9030 6.9030 7.1388 7.1388 7.8098 7.8098 8.4811 8.4811 9.6785 9.6785 10.9395 10.9395 k = 0.0000 0.0000 0.3313 ( 2678 PWs) bands (ev): -7.6566 -7.6566 -6.1904 -6.1904 1.9827 1.9827 2.1737 2.1737 2.2434 2.2434 3.9580 3.9580 4.1305 4.1305 5.4824 5.4824 5.6822 5.6822 5.9025 5.9025 6.0414 6.0414 6.7807 6.7807 6.9034 6.9034 7.1388 7.1388 7.8098 7.8098 8.4811 8.4811 9.6767 9.6767 10.9380 10.9380 k = 0.0000 0.0000 0.3195 ( 2678 PWs) bands (ev): -7.6591 -7.6591 -6.1862 -6.1862 1.9788 1.9788 2.1655 2.1655 2.2398 2.2398 3.9515 3.9515 4.1534 4.1534 5.4827 5.4827 5.6859 5.6859 5.9032 5.9032 6.0454 6.0454 6.7806 6.7806 6.9044 6.9044 7.1388 7.1388 7.8099 7.8099 8.4811 8.4811 9.6715 9.6715 10.9334 10.9334 k = 0.0000 0.0000 0.3077 ( 2688 PWs) bands (ev): -7.6633 -7.6633 -6.1793 -6.1793 1.9716 1.9716 2.1514 2.1514 2.2350 2.2350 3.9434 3.9434 4.1880 4.1880 5.4831 5.4831 5.6922 5.6922 5.9042 5.9042 6.0521 6.0521 6.7803 6.7803 6.9060 6.9060 7.1388 7.1388 7.8098 7.8098 8.4810 8.4810 9.6629 9.6629 10.9259 10.9259 k = 0.0000 0.0000 0.2958 ( 2690 PWs) bands (ev): -7.6691 -7.6691 -6.1698 -6.1698 1.9607 1.9607 2.1324 2.1324 2.2300 2.2300 3.9358 3.9358 4.2316 4.2316 5.4838 5.4838 5.7007 5.7007 5.9058 5.9058 6.0614 6.0614 6.7799 6.7799 6.9083 6.9083 7.1387 7.1387 7.8099 7.8099 8.4810 8.4810 9.6509 9.6509 10.9155 10.9155 k = 0.0000 0.0000 0.2840 ( 2690 PWs) bands (ev): -7.6762 -7.6762 -6.1579 -6.1579 1.9446 1.9446 2.1102 2.1102 2.2252 2.2252 3.9293 3.9293 4.2826 4.2826 5.4846 5.4846 5.7114 5.7114 5.9080 5.9080 6.0732 6.0732 6.7794 6.7794 6.9112 6.9112 7.1387 7.1387 7.8099 7.8099 8.4809 8.4809 9.6358 9.6358 10.9023 10.9023 k = 0.0000 0.0000 0.2722 ( 2694 PWs) bands (ev): -7.6847 -7.6847 -6.1438 -6.1438 1.9219 1.9219 2.0875 2.0875 2.2206 2.2206 3.9241 3.9241 4.3396 4.3396 5.4856 5.4856 5.7241 5.7241 5.9109 5.9109 6.0874 6.0874 6.7788 6.7788 6.9148 6.9148 7.1386 7.1386 7.8100 7.8100 8.4808 8.4808 9.6175 9.6175 10.8864 10.8864 k = 0.0000 0.0000 0.2603 ( 2702 PWs) bands (ev): -7.6943 -7.6943 -6.1276 -6.1276 1.8916 1.8916 2.0666 2.0666 2.2160 2.2160 3.9201 3.9201 4.4015 4.4015 5.4865 5.4865 5.7383 5.7383 5.9148 5.9148 6.1038 6.1038 6.7780 6.7780 6.9188 6.9188 7.1386 7.1386 7.8101 7.8101 8.4806 8.4806 9.5963 9.5963 10.8680 10.8680 k = 0.0000 0.0000 0.2485 ( 2694 PWs) bands (ev): -7.7049 -7.7049 -6.1097 -6.1097 1.8539 1.8539 2.0487 2.0487 2.2114 2.2114 3.9173 3.9173 4.4673 4.4673 5.4878 5.4878 5.7538 5.7538 5.9200 5.9200 6.1225 6.1225 6.7773 6.7773 6.9233 6.9233 7.1385 7.1385 7.8102 7.8102 8.4805 8.4805 9.5724 9.5724 10.8473 10.8473 k = 0.0000 0.0000 0.2367 ( 2698 PWs) bands (ev): -7.7162 -7.7162 -6.0902 -6.0902 1.8100 1.8100 2.0336 2.0336 2.2067 2.2067 3.9154 3.9154 4.5360 4.5360 5.4891 5.4891 5.7699 5.7699 5.9269 5.9269 6.1432 6.1432 6.7761 6.7761 6.9282 6.9282 7.1385 7.1385 7.8103 7.8103 8.4803 8.4803 9.5461 9.5461 10.8241 10.8241 k = 0.0000 0.0000 0.2248 ( 2702 PWs) bands (ev): -7.7281 -7.7281 -6.0694 -6.0694 1.7614 1.7614 2.0207 2.0207 2.2019 2.2019 3.9143 3.9143 4.6070 4.6070 5.4906 5.4906 5.7861 5.7861 5.9358 5.9358 6.1657 6.1657 6.7749 6.7749 6.9335 6.9335 7.1384 7.1384 7.8104 7.8104 8.4801 8.4801 9.5175 9.5175 10.7953 10.7953 k = 0.0000 0.0000 0.2130 ( 2706 PWs) bands (ev): -7.7405 -7.7405 -6.0476 -6.0476 1.7099 1.7099 2.0093 2.0093 2.1970 2.1970 3.9138 3.9138 4.6792 4.6792 5.4922 5.4922 5.8016 5.8016 5.9473 5.9473 6.1899 6.1899 6.7734 6.7734 6.9388 6.9388 7.1382 7.1382 7.8106 7.8106 8.4799 8.4799 9.4870 9.4870 10.7378 10.7378 k = 0.0000 0.0000 0.2012 ( 2710 PWs) bands (ev): -7.7531 -7.7531 -6.0251 -6.0251 1.6568 1.6568 1.9989 1.9989 2.1919 2.1919 3.9139 3.9139 4.7521 4.7521 5.4939 5.4939 5.8159 5.8159 5.9619 5.9619 6.2155 6.2155 6.7717 6.7717 6.9444 6.9444 7.1381 7.1381 7.8107 7.8107 8.4796 8.4796 9.4548 9.4548 10.6712 10.6712 k = 0.0000 0.0000 0.1893 ( 2702 PWs) bands (ev): -7.7658 -7.7658 -6.0022 -6.0022 1.6031 1.6031 1.9893 1.9893 2.1869 2.1869 3.9144 3.9144 4.8249 4.8249 5.4958 5.4958 5.8285 5.8285 5.9797 5.9797 6.2423 6.2423 6.7699 6.7699 6.9501 6.9501 7.1379 7.1379 7.8109 7.8109 8.4794 8.4794 9.4213 9.4213 10.6034 10.6034 k = 0.0000 0.0000 0.1775 ( 2710 PWs) bands (ev): -7.7785 -7.7785 -5.9790 -5.9790 1.5497 1.5497 1.9801 1.9801 2.1818 2.1818 3.9152 3.9152 4.8969 4.8969 5.4974 5.4974 5.8393 5.8393 6.0007 6.0007 6.2701 6.2701 6.7677 6.7677 6.9556 6.9556 7.1376 7.1376 7.8110 7.8110 8.4790 8.4790 9.3868 9.3868 10.5357 10.5357 k = 0.0000 0.0000 0.1657 ( 2710 PWs) bands (ev): -7.7909 -7.7909 -5.9559 -5.9559 1.4972 1.4972 1.9715 1.9715 2.1768 2.1768 3.9163 3.9163 4.9675 4.9675 5.4992 5.4992 5.8484 5.8484 6.0244 6.0244 6.2986 6.2986 6.7654 6.7654 6.9609 6.9609 7.1374 7.1374 7.8112 7.8112 8.4788 8.4788 9.3517 9.3517 10.4688 10.4688 k = 0.0000 0.0000 0.1538 ( 2714 PWs) bands (ev): -7.8030 -7.8030 -5.9332 -5.9332 1.4462 1.4462 1.9632 1.9632 2.1719 2.1719 3.9175 3.9175 5.0360 5.0360 5.5010 5.5010 5.8564 5.8564 6.0502 6.0502 6.3275 6.3275 6.7628 6.7628 6.9657 6.9657 7.1370 7.1370 7.8113 7.8113 8.4785 8.4785 9.3164 9.3164 10.4035 10.4035 k = 0.0000 0.0000 0.1420 ( 2718 PWs) bands (ev): -7.8147 -7.8147 -5.9110 -5.9110 1.3973 1.3973 1.9554 1.9554 2.1671 2.1671 3.9189 3.9189 5.1018 5.1018 5.5028 5.5028 5.8634 5.8634 6.0774 6.0774 6.3565 6.3565 6.7600 6.7600 6.9702 6.9702 7.1367 7.1367 7.8114 7.8114 8.4782 8.4782 9.2813 9.2813 10.3404 10.3404 k = 0.0000 0.0000 0.1302 ( 2718 PWs) bands (ev): -7.8258 -7.8258 -5.8896 -5.8896 1.3508 1.3508 1.9481 1.9481 2.1625 2.1625 3.9204 3.9204 5.1644 5.1644 5.5046 5.5046 5.8698 5.8698 6.1056 6.1056 6.3854 6.3854 6.7571 6.7571 6.9741 6.9741 7.1363 7.1363 7.8115 7.8115 8.4779 8.4779 9.2467 9.2467 10.2801 10.2801 k = 0.0000 0.0000 0.1183 ( 2720 PWs) bands (ev): -7.8362 -7.8362 -5.8692 -5.8692 1.3072 1.3072 1.9412 1.9412 2.1581 2.1581 3.9218 3.9218 5.2231 5.2231 5.5062 5.5062 5.8759 5.8759 6.1340 6.1340 6.4137 6.4137 6.7539 6.7539 6.9774 6.9774 7.1359 7.1359 7.8116 7.8116 8.4775 8.4775 9.2131 9.2131 10.2231 10.2231 k = 0.0000 0.0000 0.1065 ( 2736 PWs) bands (ev): -7.8459 -7.8459 -5.8501 -5.8501 1.2667 1.2667 1.9346 1.9346 2.1540 2.1540 3.9232 3.9232 5.2774 5.2774 5.5077 5.5077 5.8818 5.8818 6.1621 6.1621 6.4411 6.4411 6.7504 6.7504 6.9800 6.9800 7.1353 7.1353 7.8115 7.8115 8.4772 8.4772 9.1810 9.1810 10.1699 10.1699 k = 0.0000 0.0000 0.0947 ( 2734 PWs) bands (ev): -7.8548 -7.8548 -5.8324 -5.8324 1.2297 1.2297 1.9288 1.9288 2.1502 2.1502 3.9246 3.9246 5.3269 5.3269 5.5092 5.5092 5.8877 5.8877 6.1894 6.1894 6.4673 6.4673 6.7470 6.7470 6.9818 6.9818 7.1349 7.1349 7.8117 7.8117 8.4769 8.4769 9.1508 9.1508 10.1211 10.1211 k = 0.0000 0.0000 0.0828 ( 2726 PWs) bands (ev): -7.8628 -7.8628 -5.8163 -5.8163 1.1965 1.1965 1.9236 1.9236 2.1468 2.1468 3.9259 3.9259 5.3711 5.3711 5.5107 5.5107 5.8935 5.8935 6.2153 6.2153 6.4918 6.4918 6.7436 6.7436 6.9830 6.9830 7.1344 7.1344 7.8118 7.8118 8.4766 8.4766 9.1228 9.1228 10.0769 10.0769 k = 0.0000 0.0000 0.0710 ( 2735 PWs) bands (ev): -7.8698 -7.8698 -5.8021 -5.8021 1.1672 1.1672 1.9189 1.9189 2.1438 2.1438 3.9270 3.9270 5.4097 5.4097 5.5119 5.5119 5.8993 5.8993 6.2394 6.2394 6.5142 6.5142 6.7401 6.7401 6.9833 6.9833 7.1339 7.1339 7.8119 7.8119 8.4763 8.4763 9.0976 9.0976 10.0378 10.0378 k = 0.0000 0.0000 0.0592 ( 2735 PWs) bands (ev): -7.8758 -7.8758 -5.7897 -5.7897 1.1421 1.1421 1.9149 1.9149 2.1412 2.1412 3.9281 3.9281 5.4424 5.4424 5.5129 5.5129 5.9048 5.9048 6.2610 6.2610 6.5342 6.5342 6.7367 6.7367 6.9833 6.9833 7.1334 7.1334 7.8119 7.8119 8.4761 8.4761 9.0754 9.0754 10.0042 10.0042 k = 0.0000 0.0000 0.0473 ( 2731 PWs) bands (ev): -7.8808 -7.8808 -5.7795 -5.7795 1.1214 1.1214 1.9116 1.9116 2.1390 2.1390 3.9290 3.9290 5.4691 5.4691 5.5138 5.5138 5.9099 5.9099 6.2796 6.2796 6.5514 6.5514 6.7336 6.7336 6.9830 6.9830 7.1330 7.1330 7.8120 7.8120 8.4759 8.4759 9.0568 9.0568 9.9763 9.9763 k = 0.0000 0.0000 0.0355 ( 2731 PWs) bands (ev): -7.8848 -7.8848 -5.7714 -5.7714 1.1051 1.1051 1.9090 1.9090 2.1373 2.1373 3.9297 3.9297 5.4898 5.4898 5.5145 5.5145 5.9143 5.9143 6.2947 6.2947 6.5653 6.5653 6.7310 6.7310 6.9824 6.9824 7.1327 7.1327 7.8121 7.8121 8.4757 8.4757 9.0419 9.0419 9.9543 9.9543 k = 0.0000 0.0000 0.0237 ( 2735 PWs) bands (ev): -7.8876 -7.8876 -5.7655 -5.7655 1.0934 1.0934 1.9071 1.9071 2.1360 2.1360 3.9301 3.9301 5.5044 5.5044 5.5150 5.5150 5.9177 5.9177 6.3059 6.3059 6.5755 6.5755 6.7289 6.7289 6.9818 6.9818 7.1324 7.1324 7.8121 7.8121 8.4755 8.4755 9.0311 9.0311 9.9385 9.9385 k = 0.0000 0.0000 0.0118 ( 2739 PWs) bands (ev): -7.8893 -7.8893 -5.7620 -5.7620 1.0863 1.0863 1.9060 1.9060 2.1353 2.1353 3.9305 3.9305 5.5128 5.5128 5.5156 5.5156 5.9198 5.9198 6.3127 6.3127 6.5818 6.5818 6.7275 6.7275 6.9814 6.9814 7.1322 7.1322 7.8121 7.8121 8.4754 8.4754 9.0245 9.0245 9.9289 9.9289 k = 0.0000 0.0000 0.0000 ( 2743 PWs) bands (ev): -7.8899 -7.8899 -5.7608 -5.7608 1.0840 1.0840 1.9055 1.9055 2.1350 2.1350 3.9305 3.9305 5.5145 5.5145 5.5169 5.5169 5.9205 5.9205 6.3150 6.3150 6.5840 6.5840 6.7269 6.7269 6.9812 6.9812 7.1323 7.1323 7.8121 7.8121 8.4753 8.4753 9.0223 9.0223 9.9257 9.9257 k = 0.0000 0.0000 0.0000 ( 2743 PWs) bands (ev): -7.8899 -7.8899 -5.7608 -5.7608 1.0840 1.0840 1.9055 1.9055 2.1350 2.1350 3.9305 3.9305 5.5145 5.5145 5.5169 5.5169 5.9205 5.9205 6.3150 6.3150 6.5840 6.5840 6.7269 6.7269 6.9812 6.9812 7.1323 7.1323 7.8121 7.8121 8.4753 8.4753 9.0223 9.0223 9.9257 9.9257 k =-0.0083 0.0083 0.0000 ( 2743 PWs) bands (ev): -7.8887 -7.8887 -5.7616 -5.7616 1.0854 1.0854 1.9064 1.9064 2.1353 2.1353 3.9314 3.9314 5.5041 5.5041 5.5151 5.5151 5.9149 5.9149 6.3045 6.3045 6.5874 6.5874 6.7418 6.7418 6.9870 6.9870 7.1327 7.1327 7.8116 7.8116 8.4731 8.4731 9.0139 9.0139 9.9045 9.9045 k =-0.0167 0.0166 0.0000 ( 2739 PWs) bands (ev): -7.8853 -7.8853 -5.7642 -5.7642 1.0898 1.0898 1.9088 1.9088 2.1362 2.1362 3.9339 3.9339 5.4735 5.4735 5.5105 5.5105 5.8968 5.8968 6.2767 6.2767 6.5997 6.5997 6.7814 6.7814 7.0034 7.0034 7.1344 7.1344 7.8099 7.8099 8.4667 8.4667 8.9891 8.9891 9.8515 9.8515 k =-0.0250 0.0250 0.0000 ( 2739 PWs) bands (ev): -7.8796 -7.8796 -5.7684 -5.7684 1.0972 1.0972 1.9129 1.9129 2.1377 2.1377 3.9378 3.9378 5.4268 5.4268 5.5024 5.5024 5.8643 5.8643 6.2388 6.2388 6.6236 6.6236 6.8363 6.8363 7.0279 7.0279 7.1374 7.1374 7.8073 7.8073 8.4557 8.4557 8.9495 8.9495 9.7839 9.7839 k =-0.0333 0.0333 0.0000 ( 2739 PWs) bands (ev): -7.8717 -7.8717 -5.7743 -5.7743 1.1074 1.1074 1.9186 1.9186 2.1397 2.1397 3.9434 3.9434 5.3681 5.3681 5.4897 5.4897 5.8175 5.8175 6.1962 6.1962 6.6601 6.6601 6.8992 6.8992 7.0572 7.0572 7.1427 7.1427 7.8035 7.8035 8.4404 8.4404 8.8974 8.8974 9.7123 9.7123 k =-0.0417 0.0416 0.0000 ( 2733 PWs) bands (ev): -7.8616 -7.8616 -5.7819 -5.7819 1.1207 1.1207 1.9260 1.9260 2.1424 2.1424 3.9506 3.9506 5.3009 5.3009 5.4712 5.4712 5.7587 5.7587 6.1522 6.1522 6.7082 6.7082 6.9656 6.9656 7.0870 7.0870 7.1524 7.1524 7.7990 7.7990 8.4207 8.4207 8.8352 8.8352 9.6420 9.6420 k =-0.0500 0.0499 0.0000 ( 2737 PWs) bands (ev): -7.8492 -7.8492 -5.7910 -5.7910 1.1368 1.1368 1.9349 1.9349 2.1457 2.1457 3.9592 3.9592 5.2278 5.2278 5.4451 5.4451 5.6910 5.6910 6.1096 6.1096 6.7653 6.7653 7.0321 7.0321 7.1113 7.1113 7.1707 7.1707 7.7934 7.7934 8.3970 8.3970 8.7652 8.7652 9.5761 9.5761 k =-0.0583 0.0582 0.0000 ( 2729 PWs) bands (ev): -7.8346 -7.8346 -5.8018 -5.8018 1.1558 1.1558 1.9454 1.9454 2.1496 2.1496 3.9695 3.9695 5.1505 5.1505 5.4097 5.4097 5.6175 5.6175 6.0706 6.0706 6.8291 6.8291 7.0951 7.0951 7.1286 7.1286 7.1997 7.1997 7.7872 7.7872 8.3696 8.3696 8.6894 8.6894 9.5161 9.5161 k =-0.0667 0.0666 0.0000 ( 2733 PWs) bands (ev): -7.8177 -7.8177 -5.8141 -5.8141 1.1777 1.1777 1.9573 1.9573 2.1541 2.1541 3.9812 3.9812 5.0704 5.0704 5.3636 5.3636 5.5403 5.5403 6.0375 6.0375 6.8972 6.8972 7.1298 7.1298 7.1652 7.1652 7.2348 7.2348 7.7803 7.7803 8.3392 8.3392 8.6094 8.6094 9.4630 9.4630 k =-0.0750 0.0749 0.0000 ( 2729 PWs) bands (ev): -7.7988 -7.7988 -5.8280 -5.8280 1.2024 1.2024 1.9709 1.9709 2.1593 2.1593 3.9944 3.9944 4.9884 4.9884 5.3063 5.3063 5.4609 5.4609 6.0118 6.0118 6.9676 6.9676 7.1395 7.1395 7.2196 7.2196 7.2724 7.2724 7.7731 7.7731 8.3066 8.3066 8.5269 8.5269 9.4173 9.4173 k =-0.0833 0.0832 0.0000 ( 2725 PWs) bands (ev): -7.7776 -7.7776 -5.8434 -5.8434 1.2300 1.2300 1.9858 1.9858 2.1652 2.1652 4.0090 4.0090 4.9051 4.9051 5.2384 5.2384 5.3797 5.3797 5.9938 5.9938 7.0387 7.0387 7.1467 7.1467 7.2680 7.2680 7.3113 7.3113 7.7658 7.7658 8.2730 8.2730 8.4431 8.4431 9.3792 9.3792 k =-0.0917 0.0915 0.0000 ( 2721 PWs) bands (ev): -7.7543 -7.7543 -5.8602 -5.8602 1.2605 1.2605 2.0021 2.0021 2.1719 2.1719 4.0251 4.0251 4.8210 4.8210 5.1619 5.1619 5.2965 5.2965 5.9835 5.9835 7.1085 7.1085 7.1538 7.1538 7.3067 7.3067 7.3516 7.3516 7.7591 7.7591 8.2391 8.2391 8.3600 8.3600 9.3486 9.3486 k =-0.1000 0.0998 0.0000 ( 2721 PWs) bands (ev): -7.7290 -7.7290 -5.8784 -5.8784 1.2937 1.2937 2.0195 2.0195 2.1793 2.1793 4.0425 4.0425 4.7364 4.7364 5.0788 5.0788 5.2111 5.2111 5.9800 5.9800 7.1595 7.1595 7.1763 7.1763 7.3352 7.3352 7.3918 7.3918 7.7538 7.7538 8.2027 8.2027 8.2821 8.2821 9.3254 9.3254 k =-0.1083 0.1081 0.0000 ( 2717 PWs) bands (ev): -7.7015 -7.7015 -5.8979 -5.8979 1.3298 1.3298 2.0380 2.0380 2.1878 2.1878 4.0611 4.0611 4.6517 4.6517 4.9908 4.9908 5.1236 5.1236 5.9825 5.9825 7.1671 7.1671 7.2359 7.2359 7.3548 7.3548 7.4305 7.4305 7.7512 7.7512 8.1515 8.1515 8.2243 8.2243 9.3092 9.3092 k =-0.1167 0.1165 0.0000 ( 2713 PWs) bands (ev): -7.6720 -7.6720 -5.9187 -5.9187 1.3686 1.3686 2.0572 2.0572 2.1974 2.1974 4.0810 4.0810 4.5671 4.5671 4.8992 4.8992 5.0344 5.0344 5.9900 5.9900 7.1743 7.1743 7.2822 7.2822 7.3704 7.3704 7.4662 7.4662 7.7535 7.7535 8.0786 8.0786 8.1951 8.1951 9.3000 9.3000 k =-0.1250 0.1248 0.0000 ( 2713 PWs) bands (ev): -7.6406 -7.6406 -5.9407 -5.9407 1.4101 1.4101 2.0770 2.0770 2.2085 2.2085 4.1018 4.1018 4.4827 4.4827 4.8047 4.8047 4.9443 4.9443 6.0018 6.0018 7.1813 7.1813 7.3012 7.3012 7.3936 7.3936 7.4975 7.4975 7.7636 7.7636 7.9982 7.9982 8.1808 8.1808 9.2972 9.2972 k =-0.1333 0.1331 0.0000 ( 2715 PWs) bands (ev): -7.6072 -7.6072 -5.9638 -5.9638 1.4542 1.4542 2.0968 2.0968 2.2213 2.2213 4.1236 4.1236 4.3986 4.3986 4.7080 4.7080 4.8539 4.8539 6.0172 6.0172 7.1874 7.1874 7.2919 7.2919 7.4254 7.4254 7.5223 7.5223 7.7848 7.7848 7.9171 7.9171 8.1748 8.1748 9.3006 9.3006 k =-0.1417 0.1414 0.0000 ( 2719 PWs) bands (ev): -7.5719 -7.5719 -5.9881 -5.9881 1.5009 1.5009 2.1161 2.1161 2.2364 2.2364 4.1456 4.1456 4.3149 4.3149 4.6098 4.6098 4.7642 4.7642 6.0359 6.0359 7.1904 7.1904 7.2679 7.2679 7.4546 7.4546 7.5403 7.5403 7.8125 7.8125 7.8430 7.8430 8.1743 8.1743 9.3098 9.3098 k =-0.1500 0.1497 0.0000 ( 2719 PWs) bands (ev): -7.5347 -7.5347 -6.0133 -6.0133 1.5502 1.5502 2.1346 2.1346 2.2542 2.2542 4.1667 4.1667 4.2322 4.2322 4.5110 4.5110 4.6755 4.6755 6.0574 6.0574 7.1817 7.1817 7.2446 7.2446 7.4746 7.4746 7.5546 7.5546 7.7541 7.7541 7.8676 7.8676 8.1773 8.1773 9.3245 9.3245 k =-0.1583 0.1581 0.0000 ( 2719 PWs) bands (ev): -7.4957 -7.4957 -6.0394 -6.0394 1.6020 1.6020 2.1517 2.1517 2.2749 2.2749 4.1447 4.1447 4.1901 4.1901 4.4146 4.4146 4.5886 4.5886 6.0815 6.0815 7.1484 7.1484 7.2380 7.2380 7.4824 7.4824 7.5692 7.5692 7.6788 7.6788 7.9191 7.9191 8.1825 8.1825 9.3442 9.3442 k =-0.1667 0.1664 0.0000 ( 2713 PWs) bands (ev): -7.4550 -7.4550 -6.0664 -6.0664 1.6561 1.6561 2.1675 2.1675 2.2987 2.2987 4.0627 4.0627 4.1949 4.1949 4.3314 4.3314 4.5038 4.5038 6.1078 6.1078 7.0989 7.0989 7.2422 7.2422 7.4788 7.4788 7.5771 7.5771 7.6152 7.6152 7.9740 7.9740 8.1896 8.1896 9.3684 9.3684 k =-0.1750 0.1747 0.0000 ( 2713 PWs) bands (ev): -7.4126 -7.4126 -6.0942 -6.0942 1.7125 1.7125 2.1819 2.1819 2.3252 2.3252 3.9785 3.9785 4.1537 4.1537 4.2963 4.2963 4.4218 4.4218 6.1364 6.1364 7.0418 7.0418 7.2497 7.2497 7.4651 7.4651 7.5278 7.5278 7.6150 7.6150 8.0273 8.0273 8.1997 8.1997 9.3965 9.3965 k =-0.1833 0.1830 0.0000 ( 2715 PWs) bands (ev): -7.3686 -7.3686 -6.1227 -6.1227 1.7709 1.7709 2.1955 2.1955 2.3542 2.3542 3.8928 3.8928 4.0696 4.0696 4.3019 4.3019 4.3467 4.3467 6.1668 6.1668 6.9807 6.9807 7.2580 7.2580 7.4322 7.4322 7.4782 7.4782 7.6324 7.6324 8.0722 8.0722 8.2171 8.2171 9.4280 9.4280 k =-0.1917 0.1913 0.0000 ( 2719 PWs) bands (ev): -7.3230 -7.3230 -6.1517 -6.1517 1.8311 1.8311 2.2084 2.2084 2.3851 2.3851 3.8045 3.8045 3.9765 3.9765 4.2574 4.2574 4.3371 4.3371 6.1991 6.1991 6.9172 6.9172 7.2649 7.2649 7.3760 7.3760 7.4521 7.4521 7.6503 7.6503 8.1011 8.1011 8.2482 8.2482 9.4622 9.4622 k =-0.2000 0.1997 0.0000 ( 2719 PWs) bands (ev): -7.2760 -7.2760 -6.1813 -6.1813 1.8928 1.8928 2.2215 2.2215 2.4176 2.4176 3.7125 3.7125 3.8846 3.8846 4.1845 4.1845 4.3627 4.3627 6.2333 6.2333 6.8524 6.8524 7.2623 7.2623 7.3246 7.3246 7.4317 7.4317 7.6674 7.6674 8.1123 8.1123 8.2937 8.2937 9.4985 9.4985 k =-0.2083 0.2080 0.0000 ( 2727 PWs) bands (ev): -7.2276 -7.2276 -6.2113 -6.2113 1.9552 1.9552 2.2353 2.2353 2.4511 2.4511 3.6162 3.6162 3.7969 3.7969 4.1132 4.1132 4.3918 4.3918 6.2689 6.2689 6.7868 6.7868 7.2251 7.2251 7.3085 7.3085 7.4118 7.4118 7.6832 7.6832 8.1116 8.1116 8.3474 8.3474 9.5365 9.5365 k =-0.2167 0.2163 0.0000 ( 2723 PWs) bands (ev): -7.1778 -7.1778 -6.2417 -6.2417 2.0172 2.0172 2.2512 2.2512 2.4852 2.4852 3.5157 3.5157 3.7145 3.7145 4.0448 4.0448 4.4224 4.4224 6.3062 6.3062 6.7211 6.7211 7.1686 7.1686 7.3133 7.3133 7.3923 7.3923 7.6979 7.6979 8.1035 8.1035 8.4044 8.4044 9.5755 9.5755 k =-0.2250 0.2246 0.0000 ( 2723 PWs) bands (ev): -7.1268 -7.1268 -6.2723 -6.2723 2.0764 2.0764 2.2714 2.2714 2.5193 2.5193 3.4118 3.4118 3.6369 3.6369 3.9803 3.9803 4.4539 4.4539 6.3448 6.3448 6.6556 6.6556 7.1102 7.1102 7.3207 7.3207 7.3742 7.3742 7.7112 7.7112 8.0903 8.0903 8.4622 8.4622 9.6151 9.6151 k =-0.2333 0.2329 0.0000 ( 2725 PWs) bands (ev): -7.0747 -7.0747 -6.3031 -6.3031 2.1289 2.1289 2.2998 2.2998 2.5527 2.5527 3.3056 3.3056 3.5637 3.5637 3.9199 3.9199 4.4861 4.4861 6.3848 6.3848 6.5906 6.5906 7.0532 7.0532 7.3231 7.3231 7.3621 7.3621 7.7231 7.7231 8.0732 8.0732 8.5195 8.5195 9.6549 9.6549 k =-0.2417 0.2412 0.0000 ( 2717 PWs) bands (ev): -7.0216 -7.0216 -6.3340 -6.3340 2.1698 2.1698 2.3412 2.3412 2.5849 2.5849 3.1983 3.1983 3.4942 3.4942 3.8643 3.8643 4.5187 4.5187 6.4258 6.4258 6.5266 6.5266 6.9981 6.9981 7.3128 7.3128 7.3634 7.3634 7.7341 7.7341 8.0528 8.0528 8.5758 8.5758 9.6946 9.6946 k =-0.2500 0.2496 0.0000 ( 2717 PWs) bands (ev): -6.9675 -6.9675 -6.3650 -6.3650 2.1981 2.1981 2.3962 2.3962 2.6148 2.6148 3.0911 3.0911 3.4279 3.4279 3.8142 3.8142 4.5516 4.5516 6.4611 6.4611 6.4702 6.4702 6.9453 6.9453 7.2946 7.2946 7.3727 7.3727 7.7437 7.7437 8.0294 8.0294 8.6307 8.6307 9.7337 9.7337 k =-0.2583 0.2579 0.0000 ( 2719 PWs) bands (ev): -6.9126 -6.9126 -6.3958 -6.3958 2.2171 2.2171 2.4609 2.4609 2.6407 2.6407 2.9858 2.9858 3.3646 3.3646 3.7705 3.7705 4.5848 4.5848 6.4010 6.4010 6.5111 6.5111 6.8949 6.8949 7.2740 7.2740 7.3847 7.3847 7.7523 7.7523 8.0034 8.0034 8.6839 8.6839 9.7721 9.7721 k =-0.2667 0.2662 0.0000 ( 2719 PWs) bands (ev): -6.8570 -6.8570 -6.4265 -6.4265 2.2307 2.2307 2.5306 2.5306 2.6593 2.6593 2.8862 2.8862 3.3041 3.3041 3.7339 3.7339 4.6180 4.6180 6.3404 6.3404 6.5547 6.5547 6.8468 6.8468 7.2527 7.2527 7.3977 7.3977 7.7600 7.7600 7.9748 7.9748 8.7353 8.7353 9.8096 9.8096 k =-0.2750 0.2745 0.0000 ( 2719 PWs) bands (ev): -6.8009 -6.8009 -6.4569 -6.4569 2.2411 2.2411 2.5999 2.5999 2.6576 2.6576 2.8075 2.8075 3.2462 3.2462 3.7054 3.7054 4.6512 4.6512 6.2811 6.2811 6.5987 6.5987 6.8012 6.8012 7.2312 7.2312 7.4112 7.4112 7.7668 7.7668 7.9439 7.9439 8.7848 8.7848 9.8459 9.8459 k =-0.2833 0.2828 0.0000 ( 2713 PWs) bands (ev): -6.7443 -6.7443 -6.4870 -6.4870 2.2495 2.2495 2.6044 2.6044 2.6599 2.6599 2.7882 2.7882 3.1908 3.1908 3.6860 3.6860 4.6842 4.6842 6.2233 6.2233 6.6429 6.6429 6.7580 6.7580 7.2097 7.2097 7.4252 7.4252 7.7732 7.7732 7.9108 7.9108 8.8324 8.8324 9.8810 9.8810 k =-0.2917 0.2912 0.0000 ( 2705 PWs) bands (ev): -6.6873 -6.6873 -6.5167 -6.5167 2.2565 2.2565 2.5155 2.5155 2.6928 2.6928 2.8289 2.8289 3.1380 3.1380 3.6764 3.6764 4.7170 4.7170 6.1671 6.1671 6.6868 6.6868 6.7173 6.7173 7.1884 7.1884 7.4393 7.4393 7.7792 7.7792 7.8756 7.8756 8.8780 8.8780 9.9148 9.9148 k =-0.3000 0.2995 0.0000 ( 2701 PWs) bands (ev): -6.6303 -6.6303 -6.5459 -6.5459 2.2621 2.2621 2.4173 2.4173 2.7025 2.7025 2.8990 2.8990 3.0875 3.0875 3.6767 3.6767 4.7494 4.7494 6.1127 6.1127 6.6789 6.6789 6.7300 6.7300 7.1675 7.1675 7.4536 7.4536 7.7854 7.7854 7.8384 7.8384 8.9215 8.9215 9.9471 9.9471 k =-0.3083 0.3078 0.0000 ( 2691 PWs) bands (ev): -6.5745 -6.5745 -6.5732 -6.5732 2.2649 2.2649 2.3193 2.3193 2.6998 2.6998 2.9800 2.9800 3.0393 3.0393 3.6870 3.6870 4.7814 4.7814 6.0599 6.0599 6.6430 6.6430 6.7719 6.7719 7.1469 7.1469 7.4680 7.4680 7.7919 7.7919 7.7995 7.7995 8.9629 8.9629 9.9780 9.9780 k =-0.3167 0.3161 0.0000 ( 2683 PWs) bands (ev): -6.6025 -6.6025 -6.5163 -6.5163 2.2126 2.2126 2.2763 2.2763 2.6892 2.6892 2.9932 2.9932 3.0655 3.0655 3.7066 3.7066 4.8128 4.8128 6.0090 6.0090 6.6092 6.6092 6.8118 6.8118 7.1270 7.1270 7.4823 7.4823 7.7585 7.7585 7.8000 7.8000 9.0024 9.0024 10.0072 10.0072 k =-0.3250 0.3244 0.0000 ( 2691 PWs) bands (ev): -6.6298 -6.6298 -6.4598 -6.4598 2.1160 2.1160 2.2784 2.2784 2.6728 2.6728 2.9493 2.9493 3.1533 3.1533 3.7345 3.7345 4.8434 4.8434 5.9598 5.9598 6.5775 6.5775 6.8489 6.8489 7.1075 7.1075 7.4966 7.4966 7.7160 7.7160 7.8096 7.8096 9.0397 9.0397 10.0350 10.0350 k =-0.3333 0.3328 0.0000 ( 2695 PWs) bands (ev): -6.6563 -6.6563 -6.4037 -6.4037 2.0198 2.0198 2.2815 2.2815 2.6520 2.6520 2.9073 2.9073 3.2426 3.2426 3.7697 3.7697 4.8733 4.8733 5.9125 5.9125 6.5481 6.5481 6.8824 6.8824 7.0888 7.0888 7.5107 7.5107 7.6720 7.6720 7.8219 7.8219 9.0750 9.0750 10.0611 10.0611 k =-0.3417 0.3411 0.0000 ( 2699 PWs) bands (ev): -6.6820 -6.6820 -6.3484 -6.3484 1.9257 1.9257 2.2844 2.2844 2.6282 2.6282 2.8672 2.8672 3.3327 3.3327 3.8110 3.8110 4.9023 4.9023 5.8671 5.8671 6.5209 6.5209 6.9113 6.9113 7.0711 7.0711 7.5247 7.5247 7.6267 7.6267 7.8377 7.8377 9.1084 9.1084 10.0857 10.0857 k =-0.3500 0.3494 0.0000 ( 2699 PWs) bands (ev): -6.7068 -6.7068 -6.2940 -6.2940 1.8343 1.8343 2.2870 2.2870 2.6024 2.6024 2.8291 2.8291 3.4232 3.4232 3.8575 3.8575 4.9303 4.9303 5.8237 5.8237 6.4956 6.4956 6.9345 6.9345 7.0545 7.0545 7.5376 7.5376 7.5811 7.5811 7.8578 7.8578 9.1397 9.1397 10.1088 10.1088 k =-0.3583 0.3577 0.0000 ( 2697 PWs) bands (ev): -6.7305 -6.7305 -6.2407 -6.2407 1.7457 1.7457 2.2892 2.2892 2.5756 2.5756 2.7927 2.7927 3.5137 3.5137 3.9081 3.9081 4.9573 4.9573 5.7824 5.7824 6.4723 6.4723 6.9511 6.9511 7.0393 7.0393 7.5284 7.5284 7.5561 7.5561 7.8831 7.8831 9.1691 9.1691 10.1303 10.1303 k =-0.3667 0.3660 0.0000 ( 2697 PWs) bands (ev): -6.7533 -6.7533 -6.1887 -6.1887 1.6603 1.6603 2.2911 2.2911 2.5483 2.5483 2.7583 2.7583 3.6038 3.6038 3.9620 3.9620 4.9831 4.9831 5.7429 5.7429 6.4509 6.4509 6.9603 6.9603 7.0259 7.0259 7.4819 7.4819 7.5673 7.5673 7.9140 7.9140 9.1966 9.1966 10.1504 10.1504 k =-0.3750 0.3743 0.0000 ( 2701 PWs) bands (ev): -6.7749 -6.7749 -6.1382 -6.1382 1.5783 1.5783 2.2927 2.2927 2.5211 2.5211 2.7257 2.7257 3.6930 3.6930 4.0185 4.0185 5.0076 5.0076 5.7055 5.7055 6.4313 6.4313 6.9617 6.9617 7.0142 7.0142 7.4330 7.4330 7.5799 7.5799 7.9511 7.9511 9.2222 9.2222 10.1691 10.1691 k =-0.3833 0.3827 0.0000 ( 2705 PWs) bands (ev): -6.7955 -6.7955 -6.0895 -6.0895 1.5000 1.5000 2.2941 2.2941 2.4946 2.4946 2.6950 2.6950 3.7809 3.7809 4.0768 4.0768 5.0308 5.0308 5.6701 5.6701 6.4133 6.4133 6.9568 6.9568 7.0030 7.0030 7.3837 7.3837 7.5921 7.5921 7.9942 7.9942 9.2459 9.2459 10.1863 10.1863 k =-0.3917 0.3910 0.0000 ( 2697 PWs) bands (ev): -6.8148 -6.8148 -6.0429 -6.0429 1.4257 1.4257 2.2952 2.2952 2.4690 2.4690 2.6663 2.6663 3.8670 3.8670 4.1365 4.1365 5.0526 5.0526 5.6366 5.6366 6.3971 6.3971 6.9479 6.9479 6.9908 6.9908 7.3343 7.3343 7.6040 7.6040 8.0432 8.0432 9.2679 9.2679 10.2021 10.2021 k =-0.4000 0.3993 0.0000 ( 2698 PWs) bands (ev): -6.8329 -6.8329 -5.9984 -5.9984 1.3556 1.3556 2.2960 2.2960 2.4446 2.4446 2.6395 2.6395 3.9506 3.9506 4.1970 4.1970 5.0729 5.0729 5.6052 5.6052 6.3824 6.3824 6.9366 6.9366 6.9761 6.9761 7.2853 7.2853 7.6153 7.6153 8.0974 8.0974 9.2880 9.2880 10.2166 10.2166 k =-0.4083 0.4076 0.0000 ( 2698 PWs) bands (ev): -6.8497 -6.8497 -5.9564 -5.9564 1.2900 1.2900 2.2967 2.2967 2.4217 2.4217 2.6148 2.6148 4.0311 4.0311 4.2578 4.2578 5.0915 5.0915 5.5758 5.5758 6.3692 6.3692 6.9234 6.9234 6.9594 6.9594 7.2372 7.2372 7.6259 7.6259 8.1562 8.1562 9.3064 9.3064 10.2297 10.2297 k =-0.4167 0.4159 0.0000 ( 2698 PWs) bands (ev): -6.8651 -6.8651 -5.9171 -5.9171 1.2291 1.2291 2.2973 2.2973 2.4004 2.4004 2.5921 2.5921 4.1078 4.1078 4.3183 4.3183 5.1085 5.1085 5.5485 5.5485 6.3575 6.3575 6.9079 6.9079 6.9421 6.9421 7.1904 7.1904 7.6359 7.6359 8.2189 8.2189 9.3231 9.3231 10.2416 10.2416 k =-0.4250 0.4243 0.0000 ( 2702 PWs) bands (ev): -6.8793 -6.8793 -5.8807 -5.8807 1.1731 1.1731 2.2977 2.2977 2.3808 2.3808 2.5715 2.5715 4.1800 4.1800 4.3780 4.3780 5.1237 5.1237 5.5232 5.5232 6.3470 6.3470 6.8886 6.8886 6.9266 6.9266 7.1454 7.1454 7.6450 7.6450 8.2846 8.2846 9.3381 9.3381 10.2522 10.2522 k =-0.4333 0.4326 0.0000 ( 2694 PWs) bands (ev): -6.8919 -6.8919 -5.8474 -5.8474 1.1224 1.1224 2.2979 2.2979 2.3630 2.3630 2.5530 2.5530 4.2471 4.2471 4.4361 4.4361 5.1372 5.1372 5.5002 5.5002 6.3379 6.3379 6.8657 6.8657 6.9139 6.9139 7.1029 7.1029 7.6535 7.6535 8.3523 8.3523 9.3514 9.3514 10.2617 10.2617 k =-0.4417 0.4409 0.0000 ( 2690 PWs) bands (ev): -6.9032 -6.9032 -5.8175 -5.8175 1.0770 1.0770 2.2981 2.2981 2.3473 2.3473 2.5366 2.5366 4.3081 4.3081 4.4918 4.4918 5.1488 5.1488 5.4792 5.4792 6.3301 6.3301 6.8407 6.8407 6.9035 6.9035 7.0635 7.0635 7.6611 7.6611 8.4209 8.4209 9.3632 9.3632 10.2699 10.2699 k =-0.4500 0.4492 0.0000 ( 2690 PWs) bands (ev): -6.9131 -6.9131 -5.7911 -5.7911 1.0372 1.0372 2.2982 2.2982 2.3335 2.3335 2.5224 2.5224 4.3627 4.3627 4.5441 4.5441 5.1585 5.1585 5.4604 5.4604 6.3233 6.3233 6.8152 6.8152 6.8948 6.8948 7.0278 7.0278 7.6678 7.6678 8.4890 8.4890 9.3733 9.3733 10.2697 10.2697 k =-0.4583 0.4575 0.0000 ( 2684 PWs) bands (ev): -6.9215 -6.9215 -5.7685 -5.7685 1.0032 1.0032 2.2983 2.2983 2.3217 2.3217 2.5103 2.5103 4.4101 4.4101 4.5916 4.5916 5.1664 5.1664 5.4440 5.4440 6.3178 6.3178 6.7909 6.7909 6.8876 6.8876 6.9964 6.9964 7.6736 7.6736 8.5548 8.5548 9.3818 9.3818 10.1705 10.1705 k =-0.4667 0.4659 0.0000 ( 2684 PWs) bands (ev): -6.9283 -6.9283 -5.7498 -5.7498 0.9751 0.9751 2.2982 2.2982 2.3121 2.3121 2.5004 2.5004 4.4498 4.4498 4.6331 4.6331 5.1725 5.1725 5.4302 5.4302 6.3132 6.3132 6.7690 6.7690 6.8812 6.8812 6.9702 6.9702 7.6783 7.6783 8.6160 8.6160 9.3888 9.3888 10.0820 10.0820 k =-0.4750 0.4742 0.0000 ( 2682 PWs) bands (ev): -6.9337 -6.9337 -5.7350 -5.7350 0.9532 0.9532 2.2980 2.2980 2.3048 2.3048 2.4927 2.4927 4.4813 4.4813 4.6673 4.6673 5.1770 5.1770 5.4191 5.4191 6.3098 6.3098 6.7506 6.7506 6.8758 6.8758 6.9495 6.9495 7.6821 7.6821 8.6697 8.6697 9.3942 9.3942 10.0072 10.0072 k =-0.4833 0.4825 0.0000 ( 2682 PWs) bands (ev): -6.9375 -6.9375 -5.7244 -5.7244 0.9374 0.9374 2.2969 2.2969 2.3005 2.3005 2.4872 2.4872 4.5043 4.5043 4.6928 4.6928 5.1799 5.1799 5.4110 5.4110 6.3073 6.3073 6.7367 6.7367 6.8715 6.8715 6.9349 6.9349 7.6847 7.6847 8.7123 8.7123 9.3981 9.3981 9.9497 9.9497 k =-0.4917 0.4908 0.0000 ( 2676 PWs) bands (ev): -6.9398 -6.9398 -5.7180 -5.7180 0.9279 0.9279 2.2947 2.2947 2.2994 2.2994 2.4839 2.4839 4.5182 4.5182 4.7086 4.7086 5.1816 5.1816 5.4060 5.4060 6.3060 6.3060 6.7280 6.7280 6.8689 6.8689 6.9263 6.9263 7.6864 7.6864 8.7400 8.7400 9.4004 9.4004 9.9130 9.9130 k =-0.5000 0.4991 0.0000 ( 2676 PWs) bands (ev): -6.9406 -6.9406 -5.7159 -5.7159 0.9247 0.9247 2.2938 2.2938 2.2992 2.2992 2.4828 2.4828 4.5229 4.5229 4.7140 4.7140 5.1822 5.1822 5.4043 5.4043 6.3055 6.3055 6.7250 6.7250 6.8678 6.8678 6.9234 6.9234 7.6869 7.6869 8.7496 8.7496 9.4012 9.4012 9.9004 9.9004 k =-0.5000 0.4991 0.0000 ( 2676 PWs) bands (ev): -6.9406 -6.9406 -5.7159 -5.7159 0.9247 0.9247 2.2938 2.2938 2.2992 2.2992 2.4828 2.4828 4.5229 4.5229 4.7140 4.7140 5.1822 5.1822 5.4043 5.4043 6.3055 6.3055 6.7250 6.7250 6.8678 6.8678 6.9234 6.9234 7.6869 7.6869 8.7496 8.7496 9.4012 9.4012 9.9004 9.9004 k =-0.4991 0.5000-0.0000 ( 2676 PWs) bands (ev): -6.9406 -6.9406 -5.7159 -5.7159 0.9247 0.9247 2.2935 2.2935 2.2995 2.2995 2.4828 2.4828 4.5229 4.5229 4.7140 4.7140 5.1822 5.1822 5.4043 5.4043 6.3055 6.3055 6.7250 6.7250 6.8678 6.8678 6.9234 6.9234 7.6869 7.6869 8.7496 8.7496 9.4011 9.4011 9.9005 9.9005 k =-0.4991 0.5000-0.0000 ( 2676 PWs) bands (ev): -6.9406 -6.9406 -5.7159 -5.7159 0.9247 0.9247 2.2935 2.2935 2.2995 2.2995 2.4828 2.4828 4.5229 4.5229 4.7140 4.7140 5.1822 5.1822 5.4043 5.4043 6.3055 6.3055 6.7250 6.7250 6.8678 6.8678 6.9234 6.9234 7.6869 7.6869 8.7496 8.7496 9.4011 9.4011 9.9005 9.9005 k =-0.4991 0.5000 0.0118 ( 2674 PWs) bands (ev): -6.9406 -6.9406 -5.7159 -5.7159 0.9255 0.9255 2.2874 2.2874 2.3048 2.3048 2.4840 2.4840 4.5207 4.5207 4.7117 4.7117 5.1825 5.1825 5.4053 5.4053 6.3055 6.3055 6.7254 6.7254 6.8675 6.8675 6.9220 6.9220 7.6870 7.6870 8.7510 8.7510 9.3957 9.3957 9.8981 9.8981 k =-0.4991 0.5000 0.0237 ( 2672 PWs) bands (ev): -6.9405 -6.9405 -5.7158 -5.7158 0.9277 0.9277 2.2784 2.2784 2.3113 2.3113 2.4873 2.4873 4.5143 4.5143 4.7048 4.7048 5.1831 5.1831 5.4083 5.4083 6.3055 6.3055 6.7263 6.7263 6.8664 6.8664 6.9179 6.9179 7.6870 7.6870 8.7549 8.7549 9.3798 9.3798 9.8912 9.8912 k =-0.4991 0.5000 0.0355 ( 2672 PWs) bands (ev): -6.9404 -6.9404 -5.7156 -5.7156 0.9314 0.9314 2.2687 2.2687 2.3172 2.3172 2.4927 2.4927 4.5036 4.5036 4.6937 4.6937 5.1840 5.1840 5.4131 5.4131 6.3055 6.3055 6.7278 6.7278 6.8642 6.8642 6.9115 6.9115 7.6870 7.6870 8.7614 8.7614 9.3543 9.3543 9.8814 9.8814 k =-0.4991 0.5000 0.0473 ( 2672 PWs) bands (ev): -6.9403 -6.9403 -5.7154 -5.7154 0.9366 0.9366 2.2584 2.2584 2.3223 2.3223 2.4999 2.4999 4.4888 4.4888 4.6787 4.6787 5.1851 5.1851 5.4196 5.4196 6.3055 6.3055 6.7298 6.7298 6.8605 6.8605 6.9035 6.9035 7.6869 7.6869 8.7702 8.7702 9.3204 9.3204 9.8701 9.8701 k =-0.4991 0.5000 0.0592 ( 2672 PWs) bands (ev): -6.9401 -6.9401 -5.7152 -5.7152 0.9432 0.9432 2.2478 2.2478 2.3267 2.3267 2.5087 2.5087 4.4701 4.4701 4.6603 4.6603 5.1865 5.1865 5.4274 5.4274 6.3055 6.3055 6.7322 6.7322 6.8542 6.8542 6.8950 6.8950 7.6869 7.6869 8.7813 8.7813 9.2795 9.2795 9.8586 9.8586 k =-0.4991 0.5000 0.0710 ( 2674 PWs) bands (ev): -6.9398 -6.9398 -5.7149 -5.7149 0.9512 0.9512 2.2371 2.2371 2.3305 2.3305 2.5188 2.5188 4.4476 4.4476 4.6391 4.6391 5.1879 5.1879 5.4365 5.4365 6.3054 6.3054 6.7348 6.7348 6.8441 6.8441 6.8877 6.8877 7.6868 7.6868 8.7944 8.7944 9.2332 9.2332 9.8479 9.8479 k =-0.4991 0.5000 0.0828 ( 2676 PWs) bands (ev): -6.9396 -6.9396 -5.7145 -5.7145 0.9605 0.9605 2.2263 2.2263 2.3337 2.3337 2.5300 2.5300 4.4215 4.4215 4.6157 4.6157 5.1894 5.1894 5.4464 5.4464 6.3053 6.3053 6.7375 6.7375 6.8299 6.8299 6.8821 6.8821 7.6868 7.6868 8.8092 8.8092 9.1827 9.1827 9.8384 9.8384 k =-0.4991 0.5000 0.0947 ( 2684 PWs) bands (ev): -6.9393 -6.9393 -5.7141 -5.7141 0.9709 0.9709 2.2155 2.2155 2.3365 2.3365 2.5419 2.5419 4.3920 4.3920 4.5909 4.5909 5.1909 5.1909 5.4570 5.4570 6.3053 6.3053 6.7397 6.7397 6.8124 6.8124 6.8779 6.8779 7.6867 7.6867 8.8255 8.8255 9.1295 9.1295 9.8306 9.8306 k =-0.4991 0.5000 0.1065 ( 2695 PWs) bands (ev): -6.9389 -6.9389 -5.7137 -5.7137 0.9826 0.9826 2.2049 2.2049 2.3390 2.3390 2.5544 2.5544 4.3595 4.3595 4.5650 4.5650 5.1923 5.1923 5.4679 5.4679 6.3053 6.3053 6.7406 6.7406 6.7936 6.7936 6.8747 6.8747 7.6866 7.6866 8.8428 8.8428 9.0746 9.0746 9.8245 9.8245 k =-0.4991 0.5000 0.1183 ( 2696 PWs) bands (ev): -6.9386 -6.9386 -5.7132 -5.7132 0.9953 0.9953 2.1945 2.1945 2.3412 2.3412 2.5672 2.5672 4.3241 4.3241 4.5388 4.5388 5.1937 5.1937 5.4790 5.4790 6.3053 6.3053 6.7375 6.7375 6.7771 6.7771 6.8720 6.8720 7.6866 7.6866 8.8608 8.8608 9.0192 9.0192 9.8200 9.8200 k =-0.4991 0.5000 0.1302 ( 2692 PWs) bands (ev): -6.9382 -6.9382 -5.7127 -5.7127 1.0091 1.0091 2.1845 2.1845 2.3431 2.3431 2.5803 2.5803 4.2863 4.2863 4.5125 4.5125 5.1950 5.1950 5.4901 5.4901 6.3053 6.3053 6.7252 6.7252 6.7686 6.7686 6.8695 6.8695 7.6866 7.6866 8.8785 8.8785 8.9649 8.9649 9.8171 9.8171 k =-0.4991 0.5000 0.1420 ( 2684 PWs) bands (ev): -6.9378 -6.9378 -5.7122 -5.7122 1.0237 1.0237 2.1748 2.1748 2.3450 2.3450 2.5934 2.5934 4.2467 4.2467 4.4867 4.4867 5.1963 5.1963 5.5013 5.5013 6.3053 6.3053 6.7044 6.7044 6.7673 6.7673 6.8671 6.8671 7.6866 7.6866 8.8865 8.8865 8.9213 8.9213 9.8157 9.8157 k =-0.4991 0.5000 0.1538 ( 2694 PWs) bands (ev): -6.9374 -6.9374 -5.7116 -5.7116 1.0389 1.0389 2.1655 2.1655 2.3466 2.3466 2.6064 2.6064 4.2055 4.2055 4.4615 4.4615 5.1973 5.1973 5.5119 5.5119 6.3052 6.3052 6.6800 6.6800 6.7688 6.7688 6.8646 6.8646 7.6865 7.6865 8.8478 8.8478 8.9255 8.9255 9.8154 9.8154 k =-0.4991 0.5000 0.1657 ( 2708 PWs) bands (ev): -6.9370 -6.9370 -5.7111 -5.7111 1.0547 1.0547 2.1567 2.1567 2.3480 2.3480 2.6192 2.6192 4.1634 4.1634 4.4373 4.4373 5.1982 5.1982 5.5221 5.5221 6.3051 6.3051 6.6544 6.6544 6.7713 6.7713 6.8621 6.8621 7.6863 7.6863 8.7972 8.7972 8.9432 8.9432 9.8162 9.8162 k =-0.4991 0.5000 0.1775 ( 2712 PWs) bands (ev): -6.9366 -6.9366 -5.7105 -5.7105 1.0710 1.0710 2.1483 2.1483 2.3494 2.3494 2.6316 2.6316 4.1209 4.1209 4.4140 4.4140 5.1990 5.1990 5.5319 5.5319 6.3051 6.3051 6.6285 6.6285 6.7741 6.7741 6.8597 6.8597 7.6863 7.6863 8.7475 8.7475 8.9618 8.9618 9.8178 9.8178 k =-0.4991 0.5000 0.1893 ( 2704 PWs) bands (ev): -6.9362 -6.9362 -5.7100 -5.7100 1.0875 1.0875 2.1405 2.1405 2.3506 2.3506 2.6437 2.6437 4.0785 4.0785 4.3920 4.3920 5.1999 5.1999 5.5412 5.5412 6.3051 6.3051 6.6030 6.6030 6.7770 6.7770 6.8573 6.8573 7.6863 7.6863 8.6999 8.6999 8.9802 8.9802 9.8202 9.8202 k =-0.4991 0.5000 0.2012 ( 2704 PWs) bands (ev): -6.9358 -6.9358 -5.7094 -5.7094 1.1040 1.1040 2.1332 2.1332 2.3517 2.3517 2.6552 2.6552 4.0367 4.0367 4.3713 4.3713 5.2006 5.2006 5.5498 5.5498 6.3051 6.3051 6.5780 6.5780 6.7798 6.7798 6.8549 6.8549 7.6862 7.6862 8.6549 8.6549 8.9980 8.9980 9.8229 9.8229 k =-0.4991 0.5000 0.2130 ( 2712 PWs) bands (ev): -6.9354 -6.9354 -5.7089 -5.7089 1.1203 1.1203 2.1264 2.1264 2.3527 2.3527 2.6660 2.6660 3.9961 3.9961 4.3520 4.3520 5.2012 5.2012 5.5578 5.5578 6.3050 6.3050 6.5539 6.5539 6.7822 6.7822 6.8525 6.8525 7.6861 7.6861 8.6127 8.6127 9.0148 9.0148 9.8260 9.8260 k =-0.4991 0.5000 0.2248 ( 2716 PWs) bands (ev): -6.9350 -6.9350 -5.7084 -5.7084 1.1363 1.1363 2.1202 2.1202 2.3535 2.3535 2.6762 2.6762 3.9571 3.9571 4.3341 4.3341 5.2017 5.2017 5.5651 5.5651 6.3050 6.3050 6.5310 6.5310 6.7846 6.7846 6.8502 6.8502 7.6860 7.6860 8.5737 8.5737 9.0306 9.0306 9.8292 9.8292 k =-0.4991 0.5000 0.2367 ( 2724 PWs) bands (ev): -6.9347 -6.9347 -5.7079 -5.7079 1.1516 1.1516 2.1146 2.1146 2.3543 2.3543 2.6856 2.6856 3.9203 3.9203 4.3178 4.3178 5.2022 5.2022 5.5717 5.5717 6.3049 6.3049 6.5096 6.5096 6.7867 6.7867 6.8479 6.8479 7.6859 7.6859 8.5379 8.5379 9.0452 9.0452 9.8325 9.8325 k =-0.4991 0.5000 0.2485 ( 2724 PWs) bands (ev): -6.9344 -6.9344 -5.7075 -5.7075 1.1662 1.1662 2.1096 2.1096 2.3550 2.3550 2.6942 2.6942 3.8859 3.8859 4.3031 4.3031 5.2026 5.2026 5.5776 5.5776 6.3049 6.3049 6.4899 6.4899 6.7887 6.7887 6.8458 6.8458 7.6859 7.6859 8.5055 8.5055 9.0585 9.0585 9.8357 9.8357 k =-0.4991 0.5000 0.2603 ( 2724 PWs) bands (ev): -6.9341 -6.9341 -5.7071 -5.7071 1.1797 1.1797 2.1052 2.1052 2.3555 2.3555 2.7019 2.7019 3.8545 3.8545 4.2901 4.2901 5.2030 5.2030 5.5828 5.5828 6.3049 6.3049 6.4721 6.4721 6.7904 6.7904 6.8438 6.8438 7.6860 7.6860 8.4767 8.4767 9.0705 9.0705 9.8387 9.8387 k =-0.4991 0.5000 0.2722 ( 2708 PWs) bands (ev): -6.9338 -6.9338 -5.7067 -5.7067 1.1921 1.1921 2.1014 2.1014 2.3560 2.3560 2.7087 2.7087 3.8264 3.8264 4.2787 4.2787 5.2034 5.2034 5.5874 5.5874 6.3051 6.3051 6.4564 6.4564 6.7921 6.7921 6.8421 6.8421 7.6860 7.6860 8.4517 8.4517 9.0810 9.0810 9.8415 9.8415 k =-0.4991 0.5000 0.2840 ( 2708 PWs) bands (ev): -6.9335 -6.9335 -5.7064 -5.7064 1.2028 1.2028 2.0982 2.0982 2.3564 2.3564 2.7145 2.7145 3.8021 3.8021 4.2690 4.2690 5.2037 5.2037 5.5912 5.5912 6.3051 6.3051 6.4428 6.4428 6.7934 6.7934 6.8405 6.8405 7.6860 7.6860 8.4303 8.4303 9.0900 9.0900 9.8440 9.8440 k =-0.4991 0.5000 0.2958 ( 2708 PWs) bands (ev): -6.9334 -6.9334 -5.7061 -5.7061 1.2120 1.2120 2.0956 2.0956 2.3567 2.3567 2.7192 2.7192 3.7817 3.7817 4.2611 4.2611 5.2039 5.2039 5.5943 5.5943 6.3051 6.3051 6.4315 6.4315 6.7944 6.7944 6.8392 6.8392 7.6860 7.6860 8.4127 8.4127 9.0973 9.0973 9.8460 9.8460 k =-0.4991 0.5000 0.3077 ( 2707 PWs) bands (ev): -6.9332 -6.9332 -5.7059 -5.7059 1.2193 1.2193 2.0936 2.0936 2.3570 2.3570 2.7229 2.7229 3.7655 3.7655 4.2549 4.2549 5.2040 5.2040 5.5968 5.5968 6.3051 6.3051 6.4227 6.4227 6.7952 6.7952 6.8381 6.8381 7.6859 7.6859 8.3990 8.3990 9.1031 9.1031 9.8477 9.8477 k =-0.4991 0.5000 0.3195 ( 2708 PWs) bands (ev): -6.9331 -6.9331 -5.7057 -5.7057 1.2246 1.2246 2.0921 2.0921 2.3572 2.3572 2.7256 2.7256 3.7538 3.7538 4.2505 4.2505 5.2041 5.2041 5.5985 5.5985 6.3050 6.3050 6.4163 6.4163 6.7958 6.7958 6.8373 6.8373 7.6859 7.6859 8.3892 8.3892 9.1072 9.1072 9.8489 9.8489 k =-0.4991 0.5000 0.3313 ( 2702 PWs) bands (ev): -6.9330 -6.9330 -5.7057 -5.7057 1.2278 1.2278 2.0913 2.0913 2.3573 2.3573 2.7272 2.7272 3.7468 3.7468 4.2479 4.2479 5.2042 5.2042 5.5996 5.5996 6.3050 6.3050 6.4126 6.4126 6.7963 6.7963 6.8368 6.8368 7.6859 7.6859 8.3833 8.3833 9.1098 9.1098 9.8496 9.8496 k =-0.4991 0.5000 0.3432 ( 2704 PWs) bands (ev): -6.9330 -6.9330 -5.7056 -5.7056 1.2289 1.2289 2.0910 2.0910 2.3573 2.3573 2.7278 2.7278 3.7444 3.7444 4.2470 4.2470 5.2042 5.2042 5.6000 5.6000 6.3050 6.3050 6.4113 6.4113 6.7964 6.7964 6.8367 6.8367 7.6859 7.6859 8.3814 8.3814 9.1106 9.1106 9.8498 9.8498 k =-0.4991 0.5000 0.3432 ( 2704 PWs) bands (ev): -6.9330 -6.9330 -5.7056 -5.7056 1.2289 1.2289 2.0910 2.0910 2.3573 2.3573 2.7278 2.7278 3.7444 3.7444 4.2470 4.2470 5.2042 5.2042 5.6000 5.6000 6.3050 6.3050 6.4113 6.4113 6.7964 6.7964 6.8367 6.8367 7.6859 7.6859 8.3814 8.3814 9.1106 9.1106 9.8498 9.8498 k =-0.5000 0.4991 0.3432 ( 2704 PWs) bands (ev): -6.9330 -6.9330 -5.7056 -5.7056 1.2289 1.2289 2.0910 2.0910 2.3573 2.3573 2.7278 2.7278 3.7444 3.7444 4.2470 4.2470 5.2042 5.2042 5.6000 5.6000 6.3050 6.3050 6.4113 6.4113 6.7964 6.7964 6.8367 6.8367 7.6859 7.6859 8.3813 8.3813 9.1106 9.1106 9.8499 9.8499 k =-0.5000 0.4991 0.3432 ( 2704 PWs) bands (ev): -6.9330 -6.9330 -5.7056 -5.7056 1.2289 1.2289 2.0910 2.0910 2.3573 2.3573 2.7278 2.7278 3.7444 3.7444 4.2470 4.2470 5.2042 5.2042 5.6000 5.6000 6.3050 6.3050 6.4113 6.4113 6.7964 6.7964 6.8367 6.8367 7.6859 7.6859 8.3813 8.3813 9.1106 9.1106 9.8499 9.8499 k =-0.5000 0.4991 0.3313 ( 2704 PWs) bands (ev): -6.9330 -6.9330 -5.7056 -5.7056 1.2278 1.2278 2.0913 2.0913 2.3573 2.3573 2.7272 2.7272 3.7468 3.7468 4.2478 4.2478 5.2042 5.2042 5.5996 5.5996 6.3050 6.3050 6.4125 6.4125 6.7963 6.7963 6.8368 6.8368 7.6859 7.6859 8.3833 8.3833 9.1098 9.1098 9.8496 9.8496 k =-0.5000 0.4991 0.3195 ( 2708 PWs) bands (ev): -6.9331 -6.9331 -5.7057 -5.7057 1.2246 1.2246 2.0922 2.0922 2.3572 2.3572 2.7256 2.7256 3.7538 3.7538 4.2505 4.2505 5.2041 5.2041 5.5985 5.5985 6.3050 6.3050 6.4163 6.4163 6.7958 6.7958 6.8373 6.8373 7.6859 7.6859 8.3892 8.3892 9.1072 9.1072 9.8489 9.8489 k =-0.5000 0.4991 0.3077 ( 2708 PWs) bands (ev): -6.9332 -6.9332 -5.7059 -5.7059 1.2193 1.2193 2.0936 2.0936 2.3570 2.3570 2.7229 2.7229 3.7655 3.7655 4.2549 4.2549 5.2040 5.2040 5.5968 5.5968 6.3050 6.3050 6.4227 6.4227 6.7952 6.7952 6.8381 6.8381 7.6859 7.6859 8.3990 8.3990 9.1031 9.1031 9.8477 9.8477 k =-0.5000 0.4991 0.2958 ( 2708 PWs) bands (ev): -6.9334 -6.9334 -5.7061 -5.7061 1.2120 1.2120 2.0956 2.0956 2.3568 2.3568 2.7192 2.7192 3.7817 3.7817 4.2611 4.2611 5.2038 5.2038 5.5943 5.5943 6.3051 6.3051 6.4315 6.4315 6.7944 6.7944 6.8392 6.8392 7.6860 7.6860 8.4127 8.4127 9.0973 9.0973 9.8460 9.8460 k =-0.5000 0.4991 0.2840 ( 2708 PWs) bands (ev): -6.9335 -6.9335 -5.7064 -5.7064 1.2028 1.2028 2.0982 2.0982 2.3564 2.3564 2.7144 2.7144 3.8021 3.8021 4.2690 4.2690 5.2036 5.2036 5.5912 5.5912 6.3051 6.3051 6.4428 6.4428 6.7934 6.7934 6.8405 6.8405 7.6860 7.6860 8.4303 8.4303 9.0900 9.0900 9.8440 9.8440 k =-0.5000 0.4991 0.2722 ( 2708 PWs) bands (ev): -6.9338 -6.9338 -5.7067 -5.7067 1.1920 1.1920 2.1014 2.1014 2.3560 2.3560 2.7087 2.7087 3.8264 3.8264 4.2787 4.2787 5.2034 5.2034 5.5874 5.5874 6.3051 6.3051 6.4564 6.4564 6.7921 6.7921 6.8421 6.8421 7.6860 7.6860 8.4517 8.4517 9.0810 9.0810 9.8415 9.8415 k =-0.5000 0.4991 0.2603 ( 2724 PWs) bands (ev): -6.9341 -6.9341 -5.7070 -5.7070 1.1797 1.1797 2.1052 2.1052 2.3555 2.3555 2.7019 2.7019 3.8545 3.8545 4.2901 4.2901 5.2030 5.2030 5.5828 5.5828 6.3049 6.3049 6.4721 6.4721 6.7904 6.7904 6.8438 6.8438 7.6859 7.6859 8.4768 8.4768 9.0705 9.0705 9.8387 9.8387 k =-0.5000 0.4991 0.2485 ( 2724 PWs) bands (ev): -6.9344 -6.9344 -5.7075 -5.7075 1.1662 1.1662 2.1096 2.1096 2.3550 2.3550 2.6942 2.6942 3.8859 3.8859 4.3031 4.3031 5.2026 5.2026 5.5776 5.5776 6.3049 6.3049 6.4899 6.4899 6.7887 6.7887 6.8458 6.8458 7.6859 7.6859 8.5055 8.5055 9.0585 9.0585 9.8357 9.8357 k =-0.5000 0.4991 0.2367 ( 2724 PWs) bands (ev): -6.9347 -6.9347 -5.7079 -5.7079 1.1516 1.1516 2.1146 2.1146 2.3543 2.3543 2.6856 2.6856 3.9203 3.9203 4.3178 4.3178 5.2022 5.2022 5.5717 5.5717 6.3049 6.3049 6.5096 6.5096 6.7867 6.7867 6.8479 6.8479 7.6859 7.6859 8.5379 8.5379 9.0452 9.0452 9.8325 9.8325 k =-0.5000 0.4991 0.2248 ( 2716 PWs) bands (ev): -6.9350 -6.9350 -5.7084 -5.7084 1.1363 1.1363 2.1202 2.1202 2.3535 2.3535 2.6762 2.6762 3.9571 3.9571 4.3341 4.3341 5.2017 5.2017 5.5651 5.5651 6.3050 6.3050 6.5310 6.5310 6.7846 6.7846 6.8502 6.8502 7.6860 7.6860 8.5737 8.5737 9.0306 9.0306 9.8292 9.8292 k =-0.5000 0.4991 0.2130 ( 2712 PWs) bands (ev): -6.9354 -6.9354 -5.7089 -5.7089 1.1203 1.1203 2.1264 2.1264 2.3527 2.3527 2.6660 2.6660 3.9961 3.9961 4.3519 4.3519 5.2012 5.2012 5.5578 5.5578 6.3050 6.3050 6.5539 6.5539 6.7822 6.7822 6.8525 6.8525 7.6861 7.6861 8.6127 8.6127 9.0148 9.0148 9.8260 9.8260 k =-0.5000 0.4991 0.2012 ( 2704 PWs) bands (ev): -6.9358 -6.9358 -5.7094 -5.7094 1.1040 1.1040 2.1332 2.1332 2.3517 2.3517 2.6552 2.6552 4.0367 4.0367 4.3713 4.3713 5.2006 5.2006 5.5498 5.5498 6.3051 6.3051 6.5780 6.5780 6.7798 6.7798 6.8549 6.8549 7.6862 7.6862 8.6549 8.6549 8.9980 8.9980 9.8229 9.8229 k =-0.5000 0.4991 0.1893 ( 2704 PWs) bands (ev): -6.9362 -6.9362 -5.7100 -5.7100 1.0875 1.0875 2.1405 2.1405 2.3506 2.3506 2.6437 2.6437 4.0785 4.0785 4.3920 4.3920 5.1998 5.1998 5.5412 5.5412 6.3051 6.3051 6.6030 6.6030 6.7770 6.7770 6.8573 6.8573 7.6863 7.6863 8.7000 8.7000 8.9802 8.9802 9.8201 9.8201 k =-0.5000 0.4991 0.1775 ( 2712 PWs) bands (ev): -6.9366 -6.9366 -5.7105 -5.7105 1.0710 1.0710 2.1483 2.1483 2.3494 2.3494 2.6316 2.6316 4.1209 4.1209 4.4140 4.4140 5.1990 5.1990 5.5319 5.5319 6.3051 6.3051 6.6285 6.6285 6.7741 6.7741 6.8597 6.8597 7.6863 7.6863 8.7475 8.7475 8.9618 8.9618 9.8178 9.8178 k =-0.5000 0.4991 0.1657 ( 2708 PWs) bands (ev): -6.9370 -6.9370 -5.7111 -5.7111 1.0547 1.0547 2.1567 2.1567 2.3480 2.3480 2.6192 2.6192 4.1634 4.1634 4.4372 4.4372 5.1981 5.1981 5.5221 5.5221 6.3051 6.3051 6.6544 6.6544 6.7713 6.7713 6.8621 6.8621 7.6863 7.6863 8.7973 8.7973 8.9432 8.9432 9.8162 9.8162 k =-0.5000 0.4991 0.1538 ( 2692 PWs) bands (ev): -6.9374 -6.9374 -5.7116 -5.7116 1.0389 1.0389 2.1656 2.1656 2.3466 2.3466 2.6064 2.6064 4.2055 4.2055 4.4615 4.4615 5.1973 5.1973 5.5119 5.5119 6.3052 6.3052 6.6800 6.6800 6.7688 6.7688 6.8647 6.8647 7.6866 7.6866 8.8478 8.8478 8.9256 8.9256 9.8154 9.8154 k =-0.5000 0.4991 0.1420 ( 2684 PWs) bands (ev): -6.9378 -6.9378 -5.7122 -5.7122 1.0237 1.0237 2.1748 2.1748 2.3450 2.3450 2.5934 2.5934 4.2466 4.2466 4.4867 4.4867 5.1962 5.1962 5.5012 5.5012 6.3053 6.3053 6.7044 6.7044 6.7673 6.7673 6.8671 6.8671 7.6866 7.6866 8.8865 8.8865 8.9213 8.9213 9.8156 9.8156 k =-0.5000 0.4991 0.1302 ( 2692 PWs) bands (ev): -6.9382 -6.9382 -5.7127 -5.7127 1.0091 1.0091 2.1845 2.1845 2.3431 2.3431 2.5803 2.5803 4.2863 4.2863 4.5125 4.5125 5.1950 5.1950 5.4901 5.4901 6.3053 6.3053 6.7252 6.7252 6.7686 6.7686 6.8695 6.8695 7.6866 7.6866 8.8785 8.8785 8.9649 8.9649 9.8171 9.8171 k =-0.5000 0.4991 0.1183 ( 2696 PWs) bands (ev): -6.9386 -6.9386 -5.7132 -5.7132 0.9953 0.9953 2.1946 2.1946 2.3412 2.3412 2.5672 2.5672 4.3241 4.3241 4.5388 4.5388 5.1937 5.1937 5.4790 5.4790 6.3053 6.3053 6.7375 6.7375 6.7771 6.7771 6.8720 6.8720 7.6866 7.6866 8.8608 8.8608 9.0192 9.0192 9.8200 9.8200 k =-0.5000 0.4991 0.1065 ( 2694 PWs) bands (ev): -6.9389 -6.9389 -5.7137 -5.7137 0.9826 0.9826 2.2049 2.2049 2.3390 2.3390 2.5544 2.5544 4.3594 4.3594 4.5650 4.5650 5.1923 5.1923 5.4679 5.4679 6.3053 6.3053 6.7406 6.7406 6.7936 6.7936 6.8747 6.8747 7.6866 7.6866 8.8428 8.8428 9.0746 9.0746 9.8244 9.8244 k =-0.5000 0.4991 0.0947 ( 2684 PWs) bands (ev): -6.9392 -6.9392 -5.7141 -5.7141 0.9709 0.9709 2.2155 2.2155 2.3365 2.3365 2.5419 2.5419 4.3920 4.3920 4.5908 4.5908 5.1909 5.1909 5.4570 5.4570 6.3053 6.3053 6.7397 6.7397 6.8124 6.8124 6.8779 6.8779 7.6867 7.6867 8.8255 8.8255 9.1295 9.1295 9.8305 9.8305 k =-0.5000 0.4991 0.0828 ( 2674 PWs) bands (ev): -6.9396 -6.9396 -5.7145 -5.7145 0.9605 0.9605 2.2263 2.2263 2.3337 2.3337 2.5300 2.5300 4.4215 4.4215 4.6157 4.6157 5.1894 5.1894 5.4464 5.4464 6.3053 6.3053 6.7375 6.7375 6.8299 6.8299 6.8821 6.8821 7.6868 7.6868 8.8092 8.8092 9.1828 9.1828 9.8383 9.8383 k =-0.5000 0.4991 0.0710 ( 2672 PWs) bands (ev): -6.9398 -6.9398 -5.7149 -5.7149 0.9512 0.9512 2.2371 2.2371 2.3305 2.3305 2.5188 2.5188 4.4476 4.4476 4.6391 4.6391 5.1879 5.1879 5.4365 5.4365 6.3055 6.3055 6.7348 6.7348 6.8441 6.8441 6.8877 6.8877 7.6869 7.6869 8.7944 8.7944 9.2333 9.2333 9.8478 9.8478 k =-0.5000 0.4991 0.0592 ( 2672 PWs) bands (ev): -6.9401 -6.9401 -5.7152 -5.7152 0.9432 0.9432 2.2478 2.2478 2.3267 2.3267 2.5087 2.5087 4.4701 4.4701 4.6603 4.6603 5.1865 5.1865 5.4274 5.4274 6.3055 6.3055 6.7322 6.7322 6.8542 6.8542 6.8950 6.8950 7.6869 7.6869 8.7813 8.7813 9.2796 9.2796 9.8585 9.8585 k =-0.5000 0.4991 0.0473 ( 2672 PWs) bands (ev): -6.9403 -6.9403 -5.7154 -5.7154 0.9366 0.9366 2.2584 2.2584 2.3223 2.3223 2.4999 2.4999 4.4888 4.4888 4.6787 4.6787 5.1851 5.1851 5.4195 5.4195 6.3055 6.3055 6.7298 6.7298 6.8605 6.8605 6.9035 6.9035 7.6869 7.6869 8.7702 8.7702 9.3205 9.3205 9.8699 9.8699 k =-0.5000 0.4991 0.0355 ( 2672 PWs) bands (ev): -6.9404 -6.9404 -5.7156 -5.7156 0.9314 0.9314 2.2687 2.2687 2.3172 2.3172 2.4927 2.4927 4.5036 4.5036 4.6937 4.6937 5.1840 5.1840 5.4131 5.4131 6.3055 6.3055 6.7278 6.7278 6.8642 6.8642 6.9115 6.9115 7.6870 7.6870 8.7614 8.7614 9.3545 9.3545 9.8812 9.8812 k =-0.5000 0.4991 0.0237 ( 2672 PWs) bands (ev): -6.9405 -6.9405 -5.7158 -5.7158 0.9277 0.9277 2.2785 2.2785 2.3113 2.3113 2.4873 2.4873 4.5143 4.5143 4.7048 4.7048 5.1831 5.1831 5.4083 5.4083 6.3055 6.3055 6.7263 6.7263 6.8664 6.8664 6.9179 6.9179 7.6870 7.6870 8.7549 8.7549 9.3800 9.3800 9.8911 9.8911 k =-0.5000 0.4991 0.0118 ( 2672 PWs) bands (ev): -6.9406 -6.9406 -5.7159 -5.7159 0.9255 0.9255 2.2875 2.2875 2.3047 2.3047 2.4840 2.4840 4.5207 4.5207 4.7117 4.7117 5.1825 5.1825 5.4053 5.4053 6.3055 6.3055 6.7254 6.7254 6.8675 6.8675 6.9220 6.9220 7.6870 7.6870 8.7510 8.7510 9.3958 9.3958 9.8979 9.8979 k =-0.5000 0.4991 0.0000 ( 2676 PWs) bands (ev): -6.9406 -6.9406 -5.7159 -5.7159 0.9247 0.9247 2.2938 2.2938 2.2992 2.2992 2.4828 2.4828 4.5229 4.5229 4.7140 4.7140 5.1822 5.1822 5.4043 5.4043 6.3055 6.3055 6.7250 6.7250 6.8678 6.8678 6.9234 6.9234 7.6869 7.6869 8.7496 8.7496 9.4012 9.4012 9.9004 9.9004 k = 0.0000 0.0000 0.3432 ( 2678 PWs) bands (ev): -7.6557 -7.6557 -6.1917 -6.1917 1.9840 1.9840 2.1764 2.1764 2.2448 2.2448 3.9607 3.9607 4.1224 4.1224 5.4823 5.4823 5.6809 5.6809 5.9023 5.9023 6.0401 6.0401 6.7808 6.7808 6.9030 6.9030 7.1388 7.1388 7.8098 7.8098 8.4811 8.4811 9.6785 9.6785 10.9395 10.9395 k =-0.0083 0.0083 0.3432 ( 2678 PWs) bands (ev): -7.6547 -7.6547 -6.1921 -6.1921 1.9832 1.9832 2.1764 2.1764 2.2453 2.2453 3.9614 3.9614 4.1233 4.1233 5.4613 5.4613 5.6718 5.6718 5.9097 5.9097 6.0536 6.0536 6.7820 6.7820 6.9120 6.9120 7.1392 7.1392 7.8092 7.8092 8.4794 8.4794 9.6684 9.6684 10.8953 10.8953 k =-0.0167 0.0166 0.3432 ( 2678 PWs) bands (ev): -7.6514 -7.6514 -6.1933 -6.1933 1.9807 1.9807 2.1763 2.1763 2.2469 2.2469 3.9637 3.9637 4.1259 4.1259 5.4081 5.4081 5.6402 5.6402 5.9316 5.9316 6.0899 6.0899 6.7858 6.7858 6.9383 6.9383 7.1404 7.1404 7.8071 7.8071 8.4743 8.4743 9.6390 9.6390 10.8058 10.8058 k =-0.0250 0.0250 0.3432 ( 2676 PWs) bands (ev): -7.6460 -7.6460 -6.1953 -6.1953 1.9763 1.9763 2.1763 2.1763 2.2496 2.2496 3.9675 3.9675 4.1302 4.1302 5.3371 5.3371 5.5864 5.5864 5.9615 5.9615 6.1426 6.1426 6.7919 6.7919 6.9799 6.9799 7.1424 7.1424 7.8038 7.8038 8.4658 8.4658 9.5926 9.5926 10.7059 10.7059 k =-0.0333 0.0333 0.3432 ( 2684 PWs) bands (ev): -7.6385 -7.6385 -6.1980 -6.1980 1.9698 1.9698 2.1767 2.1767 2.2533 2.2533 3.9729 3.9729 4.1359 4.1359 5.2568 5.2568 5.5170 5.5170 5.9910 5.9910 6.2074 6.2074 6.8002 6.8002 7.0338 7.0338 7.1456 7.1456 7.7991 7.7991 8.4539 8.4539 9.5323 9.5323 10.6045 10.6045 k =-0.0417 0.0416 0.3432 ( 2688 PWs) bands (ev): -7.6288 -7.6288 -6.2015 -6.2015 1.9611 1.9611 2.1778 2.1778 2.2584 2.2584 3.9797 3.9797 4.1427 4.1427 5.1716 5.1716 5.4374 5.4374 6.0171 6.0171 6.2806 6.2806 6.8108 6.8108 7.0949 7.0949 7.1523 7.1523 7.7930 7.7930 8.4389 8.4389 9.4613 9.4613 10.5045 10.5045 k =-0.0500 0.0499 0.3432 ( 2692 PWs) bands (ev): -7.6169 -7.6169 -6.2058 -6.2058 1.9500 1.9500 2.1801 2.1801 2.2648 2.2648 3.9881 3.9881 4.1502 4.1502 5.0838 5.0838 5.3511 5.3511 6.0398 6.0398 6.3590 6.3590 6.8236 6.8236 7.1384 7.1384 7.1847 7.1847 7.7856 7.7856 8.4207 8.4207 9.3823 9.3823 10.4069 10.4069 k =-0.0583 0.0582 0.3432 ( 2696 PWs) bands (ev): -7.6030 -7.6030 -6.2108 -6.2108 1.9364 1.9364 2.1836 2.1836 2.2727 2.2727 3.9979 3.9979 4.1581 4.1581 4.9945 4.9945 5.2602 5.2602 6.0601 6.0601 6.4401 6.4401 6.8385 6.8385 7.1489 7.1489 7.2562 7.2562 7.7771 7.7771 8.3995 8.3995 9.2975 9.2975 10.3123 10.3123 k =-0.0667 0.0666 0.3432 ( 2706 PWs) bands (ev): -7.5870 -7.5870 -6.2167 -6.2167 1.9206 1.9206 2.1885 2.1885 2.2820 2.2820 4.0091 4.0091 4.1658 4.1658 4.9046 4.9046 5.1660 5.1660 6.0790 6.0790 6.5224 6.5224 6.8554 6.8554 7.1550 7.1550 7.3362 7.3362 7.7674 7.7674 8.3755 8.3755 9.2085 9.2085 10.2209 10.2209 k =-0.0750 0.0749 0.3432 ( 2706 PWs) bands (ev): -7.5689 -7.5689 -6.2233 -6.2233 1.9028 1.9028 2.1948 2.1948 2.2929 2.2929 4.0219 4.0219 4.1728 4.1728 4.8148 4.8148 5.0697 5.0697 6.0973 6.0973 6.6049 6.6049 6.8743 6.8743 7.1608 7.1608 7.4193 7.4193 7.7566 7.7566 8.3492 8.3492 9.1168 9.1168 10.1330 10.1330 k =-0.0833 0.0832 0.3432 ( 2702 PWs) bands (ev): -7.5488 -7.5488 -6.2307 -6.2307 1.8834 1.8834 2.2023 2.2023 2.3054 2.3054 4.0361 4.0361 4.1785 4.1785 4.7256 4.7256 4.9721 4.9721 6.1154 6.1154 6.6867 6.6867 6.8951 6.8951 7.1669 7.1669 7.5036 7.5036 7.7448 7.7448 8.3208 8.3208 9.0234 9.0234 10.0484 10.0484 k =-0.0917 0.0915 0.3432 ( 2706 PWs) bands (ev): -7.5267 -7.5267 -6.2389 -6.2389 1.8627 1.8627 2.2108 2.2108 2.3196 2.3196 4.0517 4.0517 4.1821 4.1821 4.6379 4.6379 4.8738 4.8738 6.1337 6.1337 6.7668 6.7668 6.9177 6.9177 7.1735 7.1735 7.5878 7.5878 7.7321 7.7321 8.2906 8.2906 8.9291 8.9291 9.9673 9.9673 k =-0.1000 0.0998 0.3432 ( 2706 PWs) bands (ev): -7.5026 -7.5026 -6.2479 -6.2479 1.8413 1.8413 2.2203 2.2203 2.3355 2.3355 4.0685 4.0685 4.1825 4.1825 4.5525 4.5525 4.7754 4.7754 6.1524 6.1524 6.8434 6.8434 6.9431 6.9431 7.1806 7.1806 7.6695 7.6695 7.7205 7.7205 8.2593 8.2593 8.8344 8.8344 9.8895 9.8895 k =-0.1083 0.1081 0.3432 ( 2710 PWs) bands (ev): -7.4765 -7.4765 -6.2576 -6.2576 1.8194 1.8194 2.2305 2.2305 2.3529 2.3529 4.0866 4.0866 4.1777 4.1777 4.4714 4.4714 4.6774 4.6774 6.1718 6.1718 6.9112 6.9112 6.9758 6.9758 7.1881 7.1881 7.6990 7.6990 7.7589 7.7589 8.2275 8.2275 8.7400 8.7400 9.8150 9.8150 k =-0.1167 0.1165 0.3432 ( 2710 PWs) bands (ev): -7.4486 -7.4486 -6.2681 -6.2681 1.7976 1.7976 2.2413 2.2413 2.3718 2.3718 4.1056 4.1056 4.1644 4.1644 4.3977 4.3977 4.5803 4.5803 6.1918 6.1918 6.9574 6.9574 7.0275 7.0275 7.1962 7.1962 7.6854 7.6854 7.8379 7.8379 8.1958 8.1958 8.6463 8.6463 9.7437 9.7437 k =-0.1250 0.1248 0.3432 ( 2712 PWs) bands (ev): -7.4188 -7.4188 -6.2794 -6.2794 1.7761 1.7761 2.2526 2.2526 2.3921 2.3921 4.1218 4.1218 4.1406 4.1406 4.3367 4.3367 4.4851 4.4851 6.2126 6.2126 6.9854 6.9854 7.0937 7.0937 7.2048 7.2048 7.6698 7.6698 7.9157 7.9157 8.1652 8.1652 8.5537 8.5537 9.6756 9.6756 k =-0.1333 0.1331 0.3432 ( 2712 PWs) bands (ev): -7.3872 -7.3872 -6.2914 -6.2914 1.7553 1.7553 2.2644 2.2644 2.4136 2.4136 4.0863 4.0863 4.1508 4.1508 4.2907 4.2907 4.3941 4.3941 6.2344 6.2344 7.0058 7.0058 7.1622 7.1622 7.2140 7.2140 7.6539 7.6539 7.9901 7.9901 8.1366 8.1366 8.4630 8.4630 9.6104 9.6104 k =-0.1417 0.1414 0.3432 ( 2720 PWs) bands (ev): -7.3539 -7.3539 -6.3041 -6.3041 1.7354 1.7354 2.2764 2.2764 2.4361 2.4361 4.0234 4.0234 4.1731 4.1731 4.2473 4.2473 4.3173 4.3173 6.2569 6.2569 7.0214 7.0214 7.2224 7.2224 7.2300 7.2300 7.6383 7.6383 8.0570 8.0570 8.1138 8.1138 8.3751 8.3751 9.5481 9.5481 k =-0.1500 0.1497 0.3432 ( 2720 PWs) bands (ev): -7.3189 -7.3189 -6.3176 -6.3176 1.7167 1.7167 2.2888 2.2888 2.4592 2.4592 3.9510 3.9510 4.1783 4.1783 4.1973 4.1973 4.2761 4.2761 6.2803 6.2803 7.0319 7.0319 7.2332 7.2332 7.2920 7.2920 7.6241 7.6241 8.0759 8.0759 8.1340 8.1340 8.2940 8.2940 9.4888 9.4888 k =-0.1583 0.1581 0.3432 ( 2728 PWs) bands (ev): -7.2822 -7.2822 -6.3318 -6.3318 1.6995 1.6995 2.3014 2.3014 2.4826 2.4826 3.8746 3.8746 4.0944 4.0944 4.2221 4.2221 4.2557 4.2557 6.3045 6.3045 7.0368 7.0368 7.2435 7.2435 7.3488 7.3488 7.6128 7.6128 8.0562 8.0562 8.1600 8.1600 8.2479 8.2479 9.4324 9.4324 k =-0.1667 0.1664 0.3432 ( 2720 PWs) bands (ev): -7.2440 -7.2440 -6.3466 -6.3466 1.6840 1.6840 2.3143 2.3143 2.5059 2.5059 3.7968 3.7968 4.0087 4.0087 4.2395 4.2395 4.2493 4.2493 6.3298 6.3298 7.0356 7.0356 7.2540 7.2540 7.3961 7.3961 7.6081 7.6081 8.0283 8.0283 8.1156 8.1156 8.2832 8.2832 9.3792 9.3792 k =-0.1750 0.1747 0.3432 ( 2728 PWs) bands (ev): -7.2043 -7.2043 -6.3621 -6.3621 1.6703 1.6703 2.3273 2.3273 2.5283 2.5283 3.7193 3.7193 3.9245 3.9245 4.2258 4.2258 4.2758 4.2758 6.3557 6.3557 7.0276 7.0276 7.2647 7.2647 7.4279 7.4279 7.6157 7.6157 7.9780 7.9780 8.0782 8.0782 8.3363 8.3363 9.3292 9.3292 k =-0.1833 0.1830 0.3432 ( 2728 PWs) bands (ev): -7.1631 -7.1631 -6.3782 -6.3782 1.6587 1.6587 2.3404 2.3404 2.5494 2.5494 3.6429 3.6429 3.8432 3.8432 4.2114 4.2114 4.3038 4.3038 6.3824 6.3824 7.0129 7.0129 7.2754 7.2754 7.4406 7.4406 7.6392 7.6392 7.9079 7.9079 8.0636 8.0636 8.3885 8.3885 9.2830 9.2830 k =-0.1917 0.1913 0.3432 ( 2720 PWs) bands (ev): -7.1206 -7.1206 -6.3948 -6.3948 1.6493 1.6493 2.3537 2.3537 2.5681 2.5681 3.5683 3.5683 3.7658 3.7658 4.1963 4.1963 4.3327 4.3327 6.4099 6.4099 6.9918 6.9918 7.2861 7.2861 7.4376 7.4376 7.6753 7.6753 7.8323 7.8323 8.0590 8.0590 8.4372 8.4372 9.2412 9.2412 k =-0.2000 0.1997 0.3432 ( 2714 PWs) bands (ev): -7.0768 -7.0768 -6.4121 -6.4121 1.6421 1.6421 2.3668 2.3668 2.5835 2.5835 3.4959 3.4959 3.6931 3.6931 4.1802 4.1802 4.3623 4.3623 6.4379 6.4379 6.9646 6.9646 7.2964 7.2964 7.4258 7.4258 7.7168 7.7168 7.7567 7.7567 8.0586 8.0586 8.4818 8.4818 9.2043 9.2043 k =-0.2083 0.2080 0.3432 ( 2714 PWs) bands (ev): -7.0318 -7.0318 -6.4298 -6.4298 1.6372 1.6372 2.3798 2.3798 2.5943 2.5943 3.4261 3.4261 3.6265 3.6265 4.1633 4.1633 4.3925 4.3925 6.4665 6.4665 6.9322 6.9322 7.3056 7.3056 7.4095 7.4095 7.6813 7.6813 7.7610 7.7610 8.0593 8.0593 8.5221 8.5221 9.1730 9.1730 k =-0.2167 0.2163 0.3432 ( 2710 PWs) bands (ev): -6.9858 -6.9858 -6.4481 -6.4481 1.6348 1.6348 2.3924 2.3924 2.5991 2.5991 3.3589 3.3589 3.5677 3.5677 4.1453 4.1453 4.4234 4.4234 6.4954 6.4954 6.8953 6.8953 7.3127 7.3127 7.3915 7.3915 7.6098 7.6098 7.8032 7.8032 8.0589 8.0589 8.5579 8.5579 9.1486 9.1486 k =-0.2250 0.2246 0.3432 ( 2710 PWs) bands (ev): -6.9387 -6.9387 -6.4667 -6.4667 1.6348 1.6348 2.4043 2.4043 2.5968 2.5968 3.2939 3.2939 3.5184 3.5184 4.1265 4.1265 4.4547 4.4547 6.5246 6.5246 6.8547 6.8547 7.3149 7.3149 7.3745 7.3745 7.5424 7.5424 7.8431 7.8431 8.0558 8.0558 8.5894 8.5894 9.1316 9.1316 k =-0.2333 0.2329 0.3432 ( 2708 PWs) bands (ev): -6.8907 -6.8907 -6.4857 -6.4857 1.6373 1.6373 2.4148 2.4148 2.5868 2.5868 3.2307 3.2307 3.4803 3.4803 4.1069 4.1069 4.4865 4.4865 6.5539 6.5539 6.8113 6.8113 7.3076 7.3076 7.3598 7.3598 7.4834 7.4834 7.8786 7.8786 8.0497 8.0497 8.6165 8.6165 9.1227 9.1227 k =-0.2417 0.2412 0.3432 ( 2704 PWs) bands (ev): -6.8420 -6.8420 -6.5050 -6.5050 1.6423 1.6423 2.4225 2.4225 2.5701 2.5701 3.1688 3.1688 3.4547 3.4547 4.0868 4.0868 4.5186 4.5186 6.5833 6.5833 6.7657 6.7657 7.2882 7.2882 7.3408 7.3408 7.4421 7.4421 7.9064 7.9064 8.0424 8.0424 8.6396 8.6396 9.1222 9.1222 k =-0.2500 0.2496 0.3432 ( 2712 PWs) bands (ev): -6.7925 -6.7925 -6.5246 -6.5246 1.6498 1.6498 2.4242 2.4242 2.5500 2.5500 3.1076 3.1076 3.4416 3.4416 4.0660 4.0660 4.5510 4.5510 6.6124 6.6124 6.7184 6.7184 7.2567 7.2567 7.3098 7.3098 7.4267 7.4267 7.9189 7.9189 8.0403 8.0403 8.6589 8.6589 9.1299 9.1299 k =-0.2583 0.2579 0.3432 ( 2708 PWs) bands (ev): -6.7424 -6.7424 -6.5444 -6.5444 1.6598 1.6598 2.4138 2.4138 2.5335 2.5335 3.0474 3.0474 3.4402 3.4402 4.0451 4.0451 4.5836 4.5836 6.6409 6.6409 6.6704 6.6704 7.2119 7.2119 7.2777 7.2777 7.4278 7.4278 7.9091 7.9091 8.0508 8.0508 8.6747 8.6747 9.1453 9.1453 k =-0.2667 0.2662 0.3432 ( 2706 PWs) bands (ev): -6.6919 -6.6919 -6.5644 -6.5644 1.6722 1.6722 2.3864 2.3864 2.5272 2.5272 2.9881 2.9881 3.4486 3.4486 4.0238 4.0238 4.6163 4.6163 6.6204 6.6204 6.6700 6.6700 7.1586 7.1586 7.2498 7.2498 7.4355 7.4355 7.8794 7.8794 8.0715 8.0715 8.6873 8.6873 9.1675 9.1675 k =-0.2750 0.2745 0.3432 ( 2706 PWs) bands (ev): -6.6411 -6.6411 -6.5844 -6.5844 1.6868 1.6868 2.3445 2.3445 2.5300 2.5300 2.9299 2.9299 3.4652 3.4652 4.0026 4.0026 4.6490 4.6490 6.5711 6.5711 6.6973 6.6973 7.1027 7.1027 7.2240 7.2240 7.4460 7.4460 7.8368 7.8368 8.0960 8.0960 8.6972 8.6972 9.1953 9.1953 k =-0.2833 0.2828 0.3432 ( 2702 PWs) bands (ev): -6.6045 -6.6045 -6.5901 -6.5901 1.7037 1.7037 2.2937 2.2937 2.5377 2.5377 2.8732 2.8732 3.4881 3.4881 3.9816 3.9816 4.6816 4.6816 6.5215 6.5215 6.7236 6.7236 7.0468 7.0468 7.1994 7.1994 7.4578 7.4578 7.7855 7.7855 8.1213 8.1213 8.7048 8.7048 9.2276 9.2276 k =-0.2917 0.2912 0.3432 ( 2706 PWs) bands (ev): -6.6245 -6.6245 -6.5390 -6.5390 1.7227 1.7227 2.2378 2.2378 2.5478 2.5478 2.8181 2.8181 3.5160 3.5160 3.9609 3.9609 4.7140 4.7140 6.4721 6.4721 6.7486 6.7486 6.9919 6.9919 7.1753 7.1753 7.4702 7.4702 7.7276 7.7276 8.1459 8.1459 8.7108 8.7108 9.2632 9.2632 k =-0.3000 0.2995 0.3432 ( 2702 PWs) bands (ev): -6.6444 -6.6444 -6.4880 -6.4880 1.7435 1.7435 2.1793 2.1793 2.5589 2.5589 2.7647 2.7647 3.5478 3.5478 3.9407 3.9407 4.7462 4.7462 6.4230 6.4230 6.7721 6.7721 6.9387 6.9387 7.1519 7.1519 7.4831 7.4831 7.6646 7.6646 8.1692 8.1692 8.7157 8.7157 9.3011 9.3011 k =-0.3083 0.3078 0.3432 ( 2702 PWs) bands (ev): -6.6641 -6.6641 -6.4372 -6.4372 1.7658 1.7658 2.1196 2.1196 2.5705 2.5705 2.7131 2.7131 3.5821 3.5821 3.9212 3.9212 4.7779 4.7779 6.3744 6.3744 6.7936 6.7936 6.8875 6.8875 7.1290 7.1290 7.4960 7.4960 7.5977 7.5977 8.1912 8.1912 8.7201 8.7201 9.3404 9.3404 k =-0.3167 0.3161 0.3432 ( 2700 PWs) bands (ev): -6.6836 -6.6836 -6.3868 -6.3868 1.7891 1.7891 2.0602 2.0602 2.5822 2.5822 2.6636 2.6636 3.6183 3.6183 3.9026 3.9026 4.8092 4.8092 6.3264 6.3264 6.8121 6.8121 6.8392 6.8392 7.1067 7.1067 7.5082 7.5082 7.5285 7.5285 8.2116 8.2116 8.7245 8.7245 9.3803 9.3803 k =-0.3250 0.3244 0.3432 ( 2704 PWs) bands (ev): -6.7028 -6.7028 -6.3369 -6.3369 1.8122 1.8122 2.0027 2.0027 2.5934 2.5934 2.6165 2.6165 3.6554 3.6554 3.8853 3.8853 4.8399 4.8399 6.2791 6.2791 6.7893 6.7893 6.8319 6.8319 7.0850 7.0850 7.4547 7.4547 7.5226 7.5226 8.2306 8.2306 8.7295 8.7295 9.4201 9.4201 k =-0.3333 0.3328 0.3432 ( 2700 PWs) bands (ev): -6.7215 -6.7215 -6.2877 -6.2877 1.8309 1.8309 1.9517 1.9517 2.5700 2.5700 2.6060 2.6060 3.6924 3.6924 3.8700 3.8700 4.8700 4.8700 6.2327 6.2327 6.7447 6.7447 6.8461 6.8461 7.0638 7.0638 7.3810 7.3810 7.5353 7.5353 8.2480 8.2480 8.7358 8.7358 9.4594 9.4594 k =-0.3417 0.3411 0.3432 ( 2700 PWs) bands (ev): -6.7399 -6.7399 -6.2393 -6.2393 1.8294 1.8294 1.9230 1.9230 2.5270 2.5270 2.6170 2.6170 3.7277 3.7277 3.8580 3.8580 4.8994 4.8994 6.1870 6.1870 6.7018 6.7018 6.8580 6.8580 7.0434 7.0434 7.3064 7.3064 7.5480 7.5480 8.2640 8.2640 8.7436 8.7436 9.4976 9.4976 k =-0.3500 0.3494 0.3432 ( 2698 PWs) bands (ev): -6.7577 -6.7577 -6.1920 -6.1920 1.7937 1.7937 1.9309 1.9309 2.4861 2.4861 2.6279 2.6279 3.7576 3.7576 3.8527 3.8527 4.9278 4.9278 6.1422 6.1422 6.6610 6.6610 6.8670 6.8670 7.0236 7.0236 7.2317 7.2317 7.5603 7.5603 8.2787 8.2787 8.7536 8.7536 9.5344 9.5344 k =-0.3583 0.3577 0.3432 ( 2698 PWs) bands (ev): -6.7750 -6.7750 -6.1459 -6.1459 1.7444 1.7444 1.9547 1.9547 2.4475 2.4475 2.6383 2.6383 3.7749 3.7749 3.8611 3.8611 4.9554 4.9554 6.0982 6.0982 6.6224 6.6224 6.8731 6.8731 7.0046 7.0046 7.1576 7.1576 7.5724 7.5724 8.2920 8.2920 8.7658 8.7658 9.5695 9.5695 k =-0.3667 0.3660 0.3432 ( 2702 PWs) bands (ev): -6.7916 -6.7916 -6.1011 -6.1011 1.6928 1.6928 1.9829 1.9829 2.4114 2.4114 2.6484 2.6484 3.7775 3.7775 3.8851 3.8851 4.9818 4.9818 6.0551 6.0551 6.5860 6.5860 6.8761 6.8761 6.9861 6.9861 7.0850 7.0850 7.5841 7.5841 8.3041 8.3041 8.7806 8.7806 9.6028 9.6028 k =-0.3750 0.3743 0.3432 ( 2706 PWs) bands (ev): -6.8076 -6.8076 -6.0579 -6.0579 1.6419 1.6419 2.0123 2.0123 2.3779 2.3779 2.6579 2.6579 3.7725 3.7725 3.9171 3.9171 5.0071 5.0071 6.0128 6.0128 6.5518 6.5518 6.8756 6.8756 6.9674 6.9674 7.0159 7.0159 7.5954 7.5954 8.3151 8.3151 8.7980 8.7980 9.6340 9.6340 k =-0.3833 0.3827 0.3432 ( 2700 PWs) bands (ev): -6.8228 -6.8228 -6.0164 -6.0164 1.5928 1.5928 2.0418 2.0418 2.3473 2.3473 2.6669 2.6669 3.7657 3.7657 3.9516 3.9516 5.0313 5.0313 5.9716 5.9716 6.5200 6.5200 6.8698 6.8698 6.9391 6.9391 6.9625 6.9625 7.6062 7.6062 8.3250 8.3250 8.8179 8.8179 9.6631 9.6631 k =-0.3917 0.3910 0.3432 ( 2716 PWs) bands (ev): -6.8372 -6.8372 -5.9768 -5.9768 1.5458 1.5458 2.0701 2.0701 2.3200 2.3200 2.6753 2.6753 3.7588 3.7588 3.9863 3.9863 5.0540 5.0540 5.9310 5.9310 6.4902 6.4902 6.8472 6.8472 6.8968 6.8968 6.9408 6.9408 7.6164 7.6164 8.3338 8.3338 8.8402 8.8402 9.6900 9.6900 k =-0.4000 0.3993 0.3432 ( 2718 PWs) bands (ev): -6.8508 -6.8508 -5.9393 -5.9393 1.5014 1.5014 2.0962 2.0962 2.2968 2.2968 2.6832 2.6832 3.7528 3.7528 4.0203 4.0203 5.0754 5.0754 5.8917 5.8917 6.4627 6.4627 6.7968 6.7968 6.8788 6.8788 6.9252 6.9252 7.6260 7.6260 8.3417 8.3417 8.8647 8.8647 9.7147 9.7147 k =-0.4083 0.4076 0.3432 ( 2726 PWs) bands (ev): -6.8635 -6.8635 -5.9041 -5.9041 1.4598 1.4598 2.1181 2.1181 2.2791 2.2791 2.6904 2.6904 3.7477 3.7477 4.0529 4.0529 5.0954 5.0954 5.8534 5.8534 6.4373 6.4373 6.7400 6.7400 6.8688 6.8688 6.9115 6.9115 7.6351 7.6351 8.3487 8.3487 8.8909 8.8909 9.7371 9.7371 k =-0.4167 0.4159 0.3432 ( 2722 PWs) bands (ev): -6.8752 -6.8752 -5.8712 -5.8712 1.4212 1.4212 2.1335 2.1335 2.2691 2.2691 2.6970 2.6970 3.7439 3.7439 4.0839 4.0839 5.1139 5.1139 5.8164 5.8164 6.4143 6.4143 6.6853 6.6853 6.8598 6.8598 6.8987 6.8987 7.6435 7.6435 8.3549 8.3549 8.9183 8.9183 9.7574 9.7574 k =-0.4250 0.4243 0.3432 ( 2718 PWs) bands (ev): -6.8859 -6.8859 -5.8409 -5.8409 1.3857 1.3857 2.1400 2.1400 2.2687 2.2687 2.7030 2.7030 3.7413 3.7413 4.1128 4.1128 5.1307 5.1307 5.7810 5.7810 6.3936 6.3936 6.6345 6.6345 6.8508 6.8508 6.8872 6.8872 7.6514 7.6514 8.3603 8.3603 8.9463 8.9463 9.7755 9.7755 k =-0.4333 0.4326 0.3432 ( 2714 PWs) bands (ev): -6.8956 -6.8956 -5.8134 -5.8134 1.3536 1.3536 2.1382 2.1382 2.2769 2.2769 2.7083 2.7083 3.7398 3.7398 4.1395 4.1395 5.1459 5.1459 5.7475 5.7475 6.3749 6.3749 6.5884 6.5884 6.8416 6.8416 6.8766 6.8766 7.6584 7.6584 8.3650 8.3650 8.9743 8.9743 9.7916 9.7916 k =-0.4417 0.4409 0.3432 ( 2710 PWs) bands (ev): -6.9042 -6.9042 -5.7887 -5.7887 1.3249 1.3249 2.1314 2.1314 2.2902 2.2902 2.7129 2.7129 3.7392 3.7392 4.1637 4.1637 5.1594 5.1594 5.7162 5.7162 6.3586 6.3586 6.5472 6.5472 6.8326 6.8326 6.8674 6.8674 7.6648 7.6648 8.3690 8.3690 9.0015 9.0015 9.8055 9.8055 k =-0.4500 0.4492 0.3432 ( 2706 PWs) bands (ev): -6.9118 -6.9118 -5.7671 -5.7671 1.2997 1.2997 2.1227 2.1227 2.3052 2.3052 2.7169 2.7169 3.7395 3.7395 4.1851 4.1851 5.1712 5.1712 5.6877 5.6877 6.3444 6.3444 6.5112 6.5112 6.8240 6.8240 6.8593 6.8593 7.6703 7.6703 8.3724 8.3724 9.0272 9.0272 9.8175 9.8175 k =-0.4583 0.4575 0.3432 ( 2702 PWs) bands (ev): -6.9182 -6.9182 -5.7485 -5.7485 1.2783 1.2783 2.1139 2.1139 2.3198 2.3198 2.7203 2.7203 3.7402 3.7402 4.2036 4.2036 5.1813 5.1813 5.6624 5.6624 6.3324 6.3324 6.4807 6.4807 6.8164 6.8164 6.8522 6.8522 7.6751 7.6751 8.3752 8.3752 9.0507 9.0507 9.8275 9.8275 k =-0.4667 0.4659 0.3432 ( 2702 PWs) bands (ev): -6.9235 -6.9235 -5.7332 -5.7332 1.2607 1.2607 2.1061 2.1061 2.3326 2.3326 2.7230 2.7230 3.7413 3.7413 4.2190 4.2190 5.1895 5.1895 5.6407 5.6407 6.3225 6.3225 6.4557 6.4557 6.8095 6.8095 6.8466 6.8466 7.6789 7.6789 8.3775 8.3775 9.0712 9.0712 9.8356 9.8356 k =-0.4750 0.4742 0.3432 ( 2702 PWs) bands (ev): -6.9276 -6.9276 -5.7212 -5.7212 1.2468 1.2468 2.0996 2.0996 2.3432 2.3432 2.7251 2.7251 3.7425 3.7425 4.2311 4.2311 5.1959 5.1959 5.6232 5.6232 6.3149 6.3149 6.4363 6.4363 6.8039 6.8039 6.8422 6.8422 7.6820 7.6820 8.3792 8.3792 9.0879 9.0879 9.8419 9.8419 k =-0.4833 0.4825 0.3432 ( 2696 PWs) bands (ev): -6.9306 -6.9306 -5.7126 -5.7126 1.2369 1.2369 2.0949 2.0949 2.3510 2.3510 2.7266 2.7266 3.7435 3.7435 4.2399 4.2399 5.2006 5.2006 5.6105 5.6105 6.3094 6.3094 6.4224 6.4224 6.7998 6.7998 6.8392 6.8392 7.6842 7.6842 8.3804 8.3804 9.1004 9.1004 9.8463 9.8463 k =-0.4917 0.4908 0.3432 ( 2704 PWs) bands (ev): -6.9324 -6.9324 -5.7074 -5.7074 1.2309 1.2309 2.0920 2.0920 2.3557 2.3557 2.7275 2.7275 3.7441 3.7441 4.2452 4.2452 5.2033 5.2033 5.6026 5.6026 6.3061 6.3061 6.4140 6.4140 6.7972 6.7972 6.8373 6.8373 7.6855 7.6855 8.3811 8.3811 9.1080 9.1080 9.8490 9.8490 k =-0.5000 0.4991 0.3432 ( 2704 PWs) bands (ev): -6.9330 -6.9330 -5.7056 -5.7056 1.2289 1.2289 2.0910 2.0910 2.3573 2.3573 2.7278 2.7278 3.7444 3.7444 4.2470 4.2470 5.2042 5.2042 5.6000 5.6000 6.3050 6.3050 6.4113 6.4113 6.7964 6.7964 6.8367 6.8367 7.6859 7.6859 8.3813 8.3813 9.1106 9.1106 9.8499 9.8499 Writing output data file FeSe.save init_run : 3.50s CPU 13.11s WALL ( 1 calls) electrons : 278.30s CPU 283.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.49s CPU 1.62s WALL ( 1 calls) Called by electrons: c_bands : 278.28s CPU 283.02s WALL ( 1 calls) v_of_rho : 0.21s CPU 0.95s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.21s CPU 0.63s WALL ( 1 calls) newd : 0.36s CPU 0.50s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.13s WALL ( 454 calls) cegterg : 230.08s CPU 232.05s WALL ( 548 calls) Called by sum_band: Called by *egterg: h_psi : 106.40s CPU 111.26s WALL ( 9148 calls) s_psi : 12.91s CPU 13.36s WALL ( 9148 calls) g_psi : 0.34s CPU 0.36s WALL ( 8146 calls) cdiaghg : 79.49s CPU 78.17s WALL ( 8600 calls) cegterg:over : 24.29s CPU 21.63s WALL ( 8146 calls) cegterg:upda : 2.96s CPU 5.19s WALL ( 8146 calls) cegterg:last : 3.45s CPU 4.30s WALL ( 1984 calls) Called by h_psi: h_psi:vloc : 80.79s CPU 84.70s WALL ( 9148 calls) h_psi:vnl : 25.51s CPU 26.21s WALL ( 9148 calls) add_vuspsi : 6.92s CPU 10.17s WALL ( 9148 calls) General routines calbec : 18.56s CPU 15.97s WALL ( 9148 calls) fft : 0.30s CPU 1.40s WALL ( 19 calls) ffts : 0.05s CPU 0.09s WALL ( 4 calls) fftw : 76.82s CPU 79.73s WALL ( 935384 calls) interpolate : 0.09s CPU 0.16s WALL ( 4 calls) davcio : 0.04s CPU 1.33s WALL ( 908 calls) Parallel routines fft_scatter : 62.34s CPU 63.48s WALL ( 935407 calls) PWSCF : 5m27.22s CPU 7m 4.29s WALL This run was terminated on: 5:28:35 21Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=