Program PWSCF v.5.1.1 starts on 16Jul2015 at 17:23: 6 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 32 processors R & G space division: proc/nbgrp/npool/nimage = 32 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: ./LaF3.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S 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 47 30 9 1737 862 141 Max 48 31 10 1742 882 145 Sum 1527 961 289 55669 27843 4575 bravais-lattice index = 14 lattice parameter (alat) = 7.6165 a.u. unit-cell volume = 584.1085 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 317.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.616541 celldm(2)= 1.040194 celldm(3)= 1.270885 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.040194 0.000000 ) a(3) = ( 0.000000 0.000000 1.270885 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.961360 -0.000000 ) b(3) = ( 0.000000 0.000000 0.786854 ) PseudoPot. # 1 for La read from file: /home/autes/Pseudo/La.rel-pbe-n-nc.UPF MD5 check sum: 6f08dcd1d72f485b2e849640f263b2b9 Pseudo is Norm-conserving + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1253 points, 6 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 l(5) = 3 l(6) = 3 PseudoPot. # 2 for F read from file: /home/autes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 La 3.00 138.90550 La( 1.00) F 7.00 18.99840 F( 1.00) 4 Sym. Ops. (no inversion) found (note: 4 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,1,0] cryst. s( 2) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inv. 180 deg rotation - cart. axis [0,0,1] 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 [1,0,0] cryst. s( 4) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2v (mm2) there are 5 classes and 1 irreducible representations the character table: E -E C2 s_v s_v' -C2 -s_v -s_v' G_5 2.00 -2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 s_v -s_v 3 -3 s_v'-s_v' 4 -4 -E -1 Cartesian axes number of k points= 444 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 2) = ( 0.0128205 -0.0000000 -0.0000000), wk = 0.0022523 k( 3) = ( 0.0256410 -0.0000000 -0.0000000), wk = 0.0022523 k( 4) = ( 0.0384615 -0.0000000 -0.0000000), wk = 0.0022523 k( 5) = ( 0.0512821 -0.0000000 -0.0000000), wk = 0.0022523 k( 6) = ( 0.0641026 -0.0000000 -0.0000000), wk = 0.0022523 k( 7) = ( 0.0769231 -0.0000000 -0.0000000), wk = 0.0022523 k( 8) = ( 0.0897436 -0.0000000 -0.0000000), wk = 0.0022523 k( 9) = ( 0.1025641 -0.0000000 -0.0000000), wk = 0.0022523 k( 10) = ( 0.1153846 -0.0000000 -0.0000000), wk = 0.0022523 k( 11) = ( 0.1282051 -0.0000000 -0.0000000), wk = 0.0022523 k( 12) = ( 0.1410256 -0.0000000 -0.0000000), wk = 0.0022523 k( 13) = ( 0.1538461 -0.0000000 -0.0000000), wk = 0.0022523 k( 14) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0022523 k( 15) = ( 0.1794872 -0.0000000 -0.0000000), wk = 0.0022523 k( 16) = ( 0.1923077 -0.0000000 -0.0000000), wk = 0.0022523 k( 17) = ( 0.2051282 -0.0000000 -0.0000000), wk = 0.0022523 k( 18) = ( 0.2179487 -0.0000000 -0.0000000), wk = 0.0022523 k( 19) = ( 0.2307692 -0.0000000 -0.0000000), wk = 0.0022523 k( 20) = ( 0.2435897 -0.0000000 -0.0000000), wk = 0.0022523 k( 21) = ( 0.2564103 -0.0000000 -0.0000000), wk = 0.0022523 k( 22) = ( 0.2692308 -0.0000000 -0.0000000), wk = 0.0022523 k( 23) = ( 0.2820513 -0.0000000 -0.0000000), wk = 0.0022523 k( 24) = ( 0.2948718 -0.0000000 -0.0000000), wk = 0.0022523 k( 25) = ( 0.3076923 -0.0000000 -0.0000000), wk = 0.0022523 k( 26) = ( 0.3205128 -0.0000000 -0.0000000), wk = 0.0022523 k( 27) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0022523 k( 28) = ( 0.3461538 -0.0000000 -0.0000000), wk = 0.0022523 k( 29) = ( 0.3589744 -0.0000000 -0.0000000), wk = 0.0022523 k( 30) = ( 0.3717949 -0.0000000 -0.0000000), wk = 0.0022523 k( 31) = ( 0.3846154 -0.0000000 -0.0000000), wk = 0.0022523 k( 32) = ( 0.3974359 -0.0000000 -0.0000000), wk = 0.0022523 k( 33) = ( 0.4102564 -0.0000000 -0.0000000), wk = 0.0022523 k( 34) = ( 0.4230769 -0.0000000 -0.0000000), wk = 0.0022523 k( 35) = ( 0.4358974 -0.0000000 -0.0000000), wk = 0.0022523 k( 36) = ( 0.4487179 -0.0000000 -0.0000000), wk = 0.0022523 k( 37) = ( 0.4615385 -0.0000000 -0.0000000), wk = 0.0022523 k( 38) = ( 0.4743590 -0.0000000 -0.0000000), wk = 0.0022523 k( 39) = ( 0.4871795 -0.0000000 -0.0000000), wk = 0.0022523 k( 40) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022523 k( 41) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022523 k( 42) = ( 0.5000000 0.0126495 -0.0000000), wk = 0.0022523 k( 43) = ( 0.5000000 0.0252989 -0.0000000), wk = 0.0022523 k( 44) = ( 0.5000000 0.0379484 -0.0000000), wk = 0.0022523 k( 45) = ( 0.5000000 0.0505979 -0.0000000), wk = 0.0022523 k( 46) = ( 0.5000000 0.0632473 -0.0000000), wk = 0.0022523 k( 47) = ( 0.5000000 0.0758968 -0.0000000), wk = 0.0022523 k( 48) = ( 0.5000000 0.0885463 -0.0000000), wk = 0.0022523 k( 49) = ( 0.5000000 0.1011957 -0.0000000), wk = 0.0022523 k( 50) = ( 0.5000000 0.1138452 -0.0000000), wk = 0.0022523 k( 51) = ( 0.5000000 0.1264947 -0.0000000), wk = 0.0022523 k( 52) = ( 0.5000000 0.1391441 -0.0000000), wk = 0.0022523 k( 53) = ( 0.5000000 0.1517936 -0.0000000), wk = 0.0022523 k( 54) = ( 0.5000000 0.1644431 -0.0000000), wk = 0.0022523 k( 55) = ( 0.5000000 0.1770926 -0.0000000), wk = 0.0022523 k( 56) = ( 0.5000000 0.1897420 -0.0000000), wk = 0.0022523 k( 57) = ( 0.5000000 0.2023915 -0.0000000), wk = 0.0022523 k( 58) = ( 0.5000000 0.2150410 -0.0000000), wk = 0.0022523 k( 59) = ( 0.5000000 0.2276904 -0.0000000), wk = 0.0022523 k( 60) = ( 0.5000000 0.2403399 -0.0000000), wk = 0.0022523 k( 61) = ( 0.5000000 0.2529894 -0.0000000), wk = 0.0022523 k( 62) = ( 0.5000000 0.2656388 -0.0000000), wk = 0.0022523 k( 63) = ( 0.5000000 0.2782883 -0.0000000), wk = 0.0022523 k( 64) = ( 0.5000000 0.2909378 -0.0000000), wk = 0.0022523 k( 65) = ( 0.5000000 0.3035872 -0.0000000), wk = 0.0022523 k( 66) = ( 0.5000000 0.3162367 -0.0000000), wk = 0.0022523 k( 67) = ( 0.5000000 0.3288862 -0.0000000), wk = 0.0022523 k( 68) = ( 0.5000000 0.3415356 -0.0000000), wk = 0.0022523 k( 69) = ( 0.5000000 0.3541851 -0.0000000), wk = 0.0022523 k( 70) = ( 0.5000000 0.3668346 -0.0000000), wk = 0.0022523 k( 71) = ( 0.5000000 0.3794840 -0.0000000), wk = 0.0022523 k( 72) = ( 0.5000000 0.3921335 -0.0000000), wk = 0.0022523 k( 73) = ( 0.5000000 0.4047830 -0.0000000), wk = 0.0022523 k( 74) = ( 0.5000000 0.4174324 -0.0000000), wk = 0.0022523 k( 75) = ( 0.5000000 0.4300819 -0.0000000), wk = 0.0022523 k( 76) = ( 0.5000000 0.4427314 -0.0000000), wk = 0.0022523 k( 77) = ( 0.5000000 0.4553808 -0.0000000), wk = 0.0022523 k( 78) = ( 0.5000000 0.4680303 -0.0000000), wk = 0.0022523 k( 79) = ( 0.5000000 0.4806798 -0.0000000), wk = 0.0022523 k( 80) = ( 0.5000000 0.4806798 -0.0000000), wk = 0.0022523 k( 81) = ( 0.4871795 0.4806798 -0.0000000), wk = 0.0022523 k( 82) = ( 0.4743590 0.4806798 -0.0000000), wk = 0.0022523 k( 83) = ( 0.4615385 0.4806798 -0.0000000), wk = 0.0022523 k( 84) = ( 0.4487179 0.4806798 -0.0000000), wk = 0.0022523 k( 85) = ( 0.4358974 0.4806798 -0.0000000), wk = 0.0022523 k( 86) = ( 0.4230769 0.4806798 -0.0000000), wk = 0.0022523 k( 87) = ( 0.4102564 0.4806798 -0.0000000), wk = 0.0022523 k( 88) = ( 0.3974359 0.4806798 -0.0000000), wk = 0.0022523 k( 89) = ( 0.3846154 0.4806798 -0.0000000), wk = 0.0022523 k( 90) = ( 0.3717949 0.4806798 -0.0000000), wk = 0.0022523 k( 91) = ( 0.3589744 0.4806798 -0.0000000), wk = 0.0022523 k( 92) = ( 0.3461538 0.4806798 -0.0000000), wk = 0.0022523 k( 93) = ( 0.3333333 0.4806798 -0.0000000), wk = 0.0022523 k( 94) = ( 0.3205128 0.4806798 -0.0000000), wk = 0.0022523 k( 95) = ( 0.3076923 0.4806798 -0.0000000), wk = 0.0022523 k( 96) = ( 0.2948718 0.4806798 -0.0000000), wk = 0.0022523 k( 97) = ( 0.2820513 0.4806798 -0.0000000), wk = 0.0022523 k( 98) = ( 0.2692308 0.4806798 -0.0000000), wk = 0.0022523 k( 99) = ( 0.2564103 0.4806798 -0.0000000), wk = 0.0022523 k( 100) = ( 0.2435897 0.4806798 -0.0000000), wk = 0.0022523 k( 101) = ( 0.2307692 0.4806798 -0.0000000), wk = 0.0022523 k( 102) = ( 0.2179487 0.4806798 -0.0000000), wk = 0.0022523 k( 103) = ( 0.2051282 0.4806798 -0.0000000), wk = 0.0022523 k( 104) = ( 0.1923077 0.4806798 -0.0000000), wk = 0.0022523 k( 105) = ( 0.1794872 0.4806798 -0.0000000), wk = 0.0022523 k( 106) = ( 0.1666667 0.4806798 -0.0000000), wk = 0.0022523 k( 107) = ( 0.1538461 0.4806798 -0.0000000), wk = 0.0022523 k( 108) = ( 0.1410256 0.4806798 -0.0000000), wk = 0.0022523 k( 109) = ( 0.1282051 0.4806798 -0.0000000), wk = 0.0022523 k( 110) = ( 0.1153846 0.4806798 -0.0000000), wk = 0.0022523 k( 111) = ( 0.1025641 0.4806798 -0.0000000), wk = 0.0022523 k( 112) = ( 0.0897436 0.4806798 -0.0000000), wk = 0.0022523 k( 113) = ( 0.0769231 0.4806798 -0.0000000), wk = 0.0022523 k( 114) = ( 0.0641026 0.4806798 -0.0000000), wk = 0.0022523 k( 115) = ( 0.0512821 0.4806798 -0.0000000), wk = 0.0022523 k( 116) = ( 0.0384615 0.4806798 -0.0000000), wk = 0.0022523 k( 117) = ( 0.0256410 0.4806798 -0.0000000), wk = 0.0022523 k( 118) = ( 0.0128205 0.4806798 -0.0000000), wk = 0.0022523 k( 119) = ( 0.0000000 0.4806798 -0.0000000), wk = 0.0022523 k( 120) = ( 0.0000000 0.4806798 -0.0000000), wk = 0.0022523 k( 121) = ( 0.0000000 0.4680303 -0.0000000), wk = 0.0022523 k( 122) = ( 0.0000000 0.4553808 -0.0000000), wk = 0.0022523 k( 123) = ( 0.0000000 0.4427314 -0.0000000), wk = 0.0022523 k( 124) = ( 0.0000000 0.4300819 -0.0000000), wk = 0.0022523 k( 125) = ( 0.0000000 0.4174324 -0.0000000), wk = 0.0022523 k( 126) = ( 0.0000000 0.4047830 -0.0000000), wk = 0.0022523 k( 127) = ( 0.0000000 0.3921335 -0.0000000), wk = 0.0022523 k( 128) = ( 0.0000000 0.3794840 -0.0000000), wk = 0.0022523 k( 129) = ( 0.0000000 0.3668346 -0.0000000), wk = 0.0022523 k( 130) = ( 0.0000000 0.3541851 -0.0000000), wk = 0.0022523 k( 131) = ( 0.0000000 0.3415356 -0.0000000), wk = 0.0022523 k( 132) = ( 0.0000000 0.3288862 -0.0000000), wk = 0.0022523 k( 133) = ( 0.0000000 0.3162367 -0.0000000), wk = 0.0022523 k( 134) = ( 0.0000000 0.3035872 -0.0000000), wk = 0.0022523 k( 135) = ( 0.0000000 0.2909378 -0.0000000), wk = 0.0022523 k( 136) = ( 0.0000000 0.2782883 -0.0000000), wk = 0.0022523 k( 137) = ( 0.0000000 0.2656388 -0.0000000), wk = 0.0022523 k( 138) = ( 0.0000000 0.2529894 -0.0000000), wk = 0.0022523 k( 139) = ( 0.0000000 0.2403399 -0.0000000), wk = 0.0022523 k( 140) = ( 0.0000000 0.2276904 -0.0000000), wk = 0.0022523 k( 141) = ( 0.0000000 0.2150410 -0.0000000), wk = 0.0022523 k( 142) = ( 0.0000000 0.2023915 -0.0000000), wk = 0.0022523 k( 143) = ( 0.0000000 0.1897420 -0.0000000), wk = 0.0022523 k( 144) = ( 0.0000000 0.1770926 -0.0000000), wk = 0.0022523 k( 145) = ( 0.0000000 0.1644431 -0.0000000), wk = 0.0022523 k( 146) = ( 0.0000000 0.1517936 -0.0000000), wk = 0.0022523 k( 147) = ( 0.0000000 0.1391441 -0.0000000), wk = 0.0022523 k( 148) = ( 0.0000000 0.1264947 -0.0000000), wk = 0.0022523 k( 149) = ( 0.0000000 0.1138452 -0.0000000), wk = 0.0022523 k( 150) = ( 0.0000000 0.1011957 -0.0000000), wk = 0.0022523 k( 151) = ( 0.0000000 0.0885463 -0.0000000), wk = 0.0022523 k( 152) = ( 0.0000000 0.0758968 -0.0000000), wk = 0.0022523 k( 153) = ( 0.0000000 0.0632473 -0.0000000), wk = 0.0022523 k( 154) = ( 0.0000000 0.0505979 -0.0000000), wk = 0.0022523 k( 155) = ( 0.0000000 0.0379484 -0.0000000), wk = 0.0022523 k( 156) = ( 0.0000000 0.0252989 -0.0000000), wk = 0.0022523 k( 157) = ( 0.0000000 0.0126495 -0.0000000), wk = 0.0022523 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 160) = ( 0.0000000 0.0000000 0.0126912), wk = 0.0022523 k( 161) = ( 0.0000000 0.0000000 0.0253824), wk = 0.0022523 k( 162) = ( 0.0000000 0.0000000 0.0380736), wk = 0.0022523 k( 163) = ( 0.0000000 0.0000000 0.0507647), wk = 0.0022523 k( 164) = ( 0.0000000 0.0000000 0.0634559), wk = 0.0022523 k( 165) = ( 0.0000000 0.0000000 0.0761471), wk = 0.0022523 k( 166) = ( 0.0000000 0.0000000 0.0888383), wk = 0.0022523 k( 167) = ( 0.0000000 0.0000000 0.1015295), wk = 0.0022523 k( 168) = ( 0.0000000 0.0000000 0.1142207), wk = 0.0022523 k( 169) = ( 0.0000000 0.0000000 0.1269119), wk = 0.0022523 k( 170) = ( 0.0000000 0.0000000 0.1396030), wk = 0.0022523 k( 171) = ( 0.0000000 0.0000000 0.1522942), wk = 0.0022523 k( 172) = ( 0.0000000 0.0000000 0.1649854), wk = 0.0022523 k( 173) = ( 0.0000000 0.0000000 0.1776766), wk = 0.0022523 k( 174) = ( 0.0000000 0.0000000 0.1903678), wk = 0.0022523 k( 175) = ( 0.0000000 0.0000000 0.2030590), wk = 0.0022523 k( 176) = ( 0.0000000 0.0000000 0.2157502), wk = 0.0022523 k( 177) = ( 0.0000000 0.0000000 0.2284414), wk = 0.0022523 k( 178) = ( 0.0000000 0.0000000 0.2411325), wk = 0.0022523 k( 179) = ( 0.0000000 0.0000000 0.2538237), wk = 0.0022523 k( 180) = ( 0.0000000 0.0000000 0.2665149), wk = 0.0022523 k( 181) = ( 0.0000000 0.0000000 0.2792061), wk = 0.0022523 k( 182) = ( 0.0000000 0.0000000 0.2918973), wk = 0.0022523 k( 183) = ( 0.0000000 0.0000000 0.3045885), wk = 0.0022523 k( 184) = ( 0.0000000 0.0000000 0.3172797), wk = 0.0022523 k( 185) = ( 0.0000000 0.0000000 0.3299708), wk = 0.0022523 k( 186) = ( 0.0000000 0.0000000 0.3426620), wk = 0.0022523 k( 187) = ( 0.0000000 0.0000000 0.3553532), wk = 0.0022523 k( 188) = ( 0.0000000 0.0000000 0.3680444), wk = 0.0022523 k( 189) = ( 0.0000000 0.0000000 0.3807356), wk = 0.0022523 k( 190) = ( 0.0000000 0.0000000 0.3934268), wk = 0.0022523 k( 191) = ( 0.0000000 0.0000000 0.3934268), wk = 0.0022523 k( 192) = ( 0.0128205 -0.0000000 0.3934268), wk = 0.0022523 k( 193) = ( 0.0256410 -0.0000000 0.3934268), wk = 0.0022523 k( 194) = ( 0.0384615 -0.0000000 0.3934268), wk = 0.0022523 k( 195) = ( 0.0512821 -0.0000000 0.3934268), wk = 0.0022523 k( 196) = ( 0.0641026 -0.0000000 0.3934268), wk = 0.0022523 k( 197) = ( 0.0769231 -0.0000000 0.3934268), wk = 0.0022523 k( 198) = ( 0.0897436 -0.0000000 0.3934268), wk = 0.0022523 k( 199) = ( 0.1025641 -0.0000000 0.3934268), wk = 0.0022523 k( 200) = ( 0.1153846 -0.0000000 0.3934268), wk = 0.0022523 k( 201) = ( 0.1282051 -0.0000000 0.3934268), wk = 0.0022523 k( 202) = ( 0.1410256 -0.0000000 0.3934268), wk = 0.0022523 k( 203) = ( 0.1538461 -0.0000000 0.3934268), wk = 0.0022523 k( 204) = ( 0.1666667 -0.0000000 0.3934268), wk = 0.0022523 k( 205) = ( 0.1794872 -0.0000000 0.3934268), wk = 0.0022523 k( 206) = ( 0.1923077 -0.0000000 0.3934268), wk = 0.0022523 k( 207) = ( 0.2051282 -0.0000000 0.3934268), wk = 0.0022523 k( 208) = ( 0.2179487 -0.0000000 0.3934268), wk = 0.0022523 k( 209) = ( 0.2307692 -0.0000000 0.3934268), wk = 0.0022523 k( 210) = ( 0.2435897 -0.0000000 0.3934268), wk = 0.0022523 k( 211) = ( 0.2564103 -0.0000000 0.3934268), wk = 0.0022523 k( 212) = ( 0.2692308 -0.0000000 0.3934268), wk = 0.0022523 k( 213) = ( 0.2820513 -0.0000000 0.3934268), wk = 0.0022523 k( 214) = ( 0.2948718 -0.0000000 0.3934268), wk = 0.0022523 k( 215) = ( 0.3076923 -0.0000000 0.3934268), wk = 0.0022523 k( 216) = ( 0.3205128 -0.0000000 0.3934268), wk = 0.0022523 k( 217) = ( 0.3333333 -0.0000000 0.3934268), wk = 0.0022523 k( 218) = ( 0.3461538 -0.0000000 0.3934268), wk = 0.0022523 k( 219) = ( 0.3589744 -0.0000000 0.3934268), wk = 0.0022523 k( 220) = ( 0.3717949 -0.0000000 0.3934268), wk = 0.0022523 k( 221) = ( 0.3846154 -0.0000000 0.3934268), wk = 0.0022523 k( 222) = ( 0.3974359 -0.0000000 0.3934268), wk = 0.0022523 k( 223) = ( 0.4102564 -0.0000000 0.3934268), wk = 0.0022523 k( 224) = ( 0.4230769 -0.0000000 0.3934268), wk = 0.0022523 k( 225) = ( 0.4358974 -0.0000000 0.3934268), wk = 0.0022523 k( 226) = ( 0.4487179 -0.0000000 0.3934268), wk = 0.0022523 k( 227) = ( 0.4615385 -0.0000000 0.3934268), wk = 0.0022523 k( 228) = ( 0.4743590 -0.0000000 0.3934268), wk = 0.0022523 k( 229) = ( 0.4871795 -0.0000000 0.3934268), wk = 0.0022523 k( 230) = ( 0.5000000 -0.0000000 0.3934268), wk = 0.0022523 k( 231) = ( 0.5000000 -0.0000000 0.3934268), wk = 0.0022523 k( 232) = ( 0.5000000 0.0126495 0.3934268), wk = 0.0022523 k( 233) = ( 0.5000000 0.0252989 0.3934268), wk = 0.0022523 k( 234) = ( 0.5000000 0.0379484 0.3934268), wk = 0.0022523 k( 235) = ( 0.5000000 0.0505979 0.3934268), wk = 0.0022523 k( 236) = ( 0.5000000 0.0632473 0.3934268), wk = 0.0022523 k( 237) = ( 0.5000000 0.0758968 0.3934268), wk = 0.0022523 k( 238) = ( 0.5000000 0.0885463 0.3934268), wk = 0.0022523 k( 239) = ( 0.5000000 0.1011957 0.3934268), wk = 0.0022523 k( 240) = ( 0.5000000 0.1138452 0.3934268), wk = 0.0022523 k( 241) = ( 0.5000000 0.1264947 0.3934268), wk = 0.0022523 k( 242) = ( 0.5000000 0.1391441 0.3934268), wk = 0.0022523 k( 243) = ( 0.5000000 0.1517936 0.3934268), wk = 0.0022523 k( 244) = ( 0.5000000 0.1644431 0.3934268), wk = 0.0022523 k( 245) = ( 0.5000000 0.1770926 0.3934268), wk = 0.0022523 k( 246) = ( 0.5000000 0.1897420 0.3934268), wk = 0.0022523 k( 247) = ( 0.5000000 0.2023915 0.3934268), wk = 0.0022523 k( 248) = ( 0.5000000 0.2150410 0.3934268), wk = 0.0022523 k( 249) = ( 0.5000000 0.2276904 0.3934268), wk = 0.0022523 k( 250) = ( 0.5000000 0.2403399 0.3934268), wk = 0.0022523 k( 251) = ( 0.5000000 0.2529894 0.3934268), wk = 0.0022523 k( 252) = ( 0.5000000 0.2656388 0.3934268), wk = 0.0022523 k( 253) = ( 0.5000000 0.2782883 0.3934268), wk = 0.0022523 k( 254) = ( 0.5000000 0.2909378 0.3934268), wk = 0.0022523 k( 255) = ( 0.5000000 0.3035872 0.3934268), wk = 0.0022523 k( 256) = ( 0.5000000 0.3162367 0.3934268), wk = 0.0022523 k( 257) = ( 0.5000000 0.3288862 0.3934268), wk = 0.0022523 k( 258) = ( 0.5000000 0.3415356 0.3934268), wk = 0.0022523 k( 259) = ( 0.5000000 0.3541851 0.3934268), wk = 0.0022523 k( 260) = ( 0.5000000 0.3668346 0.3934268), wk = 0.0022523 k( 261) = ( 0.5000000 0.3794840 0.3934268), wk = 0.0022523 k( 262) = ( 0.5000000 0.3921335 0.3934268), wk = 0.0022523 k( 263) = ( 0.5000000 0.4047830 0.3934268), wk = 0.0022523 k( 264) = ( 0.5000000 0.4174324 0.3934268), wk = 0.0022523 k( 265) = ( 0.5000000 0.4300819 0.3934268), wk = 0.0022523 k( 266) = ( 0.5000000 0.4427314 0.3934268), wk = 0.0022523 k( 267) = ( 0.5000000 0.4553808 0.3934268), wk = 0.0022523 k( 268) = ( 0.5000000 0.4680303 0.3934268), wk = 0.0022523 k( 269) = ( 0.5000000 0.4806798 0.3934268), wk = 0.0022523 k( 270) = ( 0.5000000 0.4806798 0.3934268), wk = 0.0022523 k( 271) = ( 0.4871795 0.4806798 0.3934268), wk = 0.0022523 k( 272) = ( 0.4743590 0.4806798 0.3934268), wk = 0.0022523 k( 273) = ( 0.4615385 0.4806798 0.3934268), wk = 0.0022523 k( 274) = ( 0.4487179 0.4806798 0.3934268), wk = 0.0022523 k( 275) = ( 0.4358974 0.4806798 0.3934268), wk = 0.0022523 k( 276) = ( 0.4230769 0.4806798 0.3934268), wk = 0.0022523 k( 277) = ( 0.4102564 0.4806798 0.3934268), wk = 0.0022523 k( 278) = ( 0.3974359 0.4806798 0.3934268), wk = 0.0022523 k( 279) = ( 0.3846154 0.4806798 0.3934268), wk = 0.0022523 k( 280) = ( 0.3717949 0.4806798 0.3934268), wk = 0.0022523 k( 281) = ( 0.3589744 0.4806798 0.3934268), wk = 0.0022523 k( 282) = ( 0.3461538 0.4806798 0.3934268), wk = 0.0022523 k( 283) = ( 0.3333333 0.4806798 0.3934268), wk = 0.0022523 k( 284) = ( 0.3205128 0.4806798 0.3934268), wk = 0.0022523 k( 285) = ( 0.3076923 0.4806798 0.3934268), wk = 0.0022523 k( 286) = ( 0.2948718 0.4806798 0.3934268), wk = 0.0022523 k( 287) = ( 0.2820513 0.4806798 0.3934268), wk = 0.0022523 k( 288) = ( 0.2692308 0.4806798 0.3934268), wk = 0.0022523 k( 289) = ( 0.2564103 0.4806798 0.3934268), wk = 0.0022523 k( 290) = ( 0.2435897 0.4806798 0.3934268), wk = 0.0022523 k( 291) = ( 0.2307692 0.4806798 0.3934268), wk = 0.0022523 k( 292) = ( 0.2179487 0.4806798 0.3934268), wk = 0.0022523 k( 293) = ( 0.2051282 0.4806798 0.3934268), wk = 0.0022523 k( 294) = ( 0.1923077 0.4806798 0.3934268), wk = 0.0022523 k( 295) = ( 0.1794872 0.4806798 0.3934268), wk = 0.0022523 k( 296) = ( 0.1666667 0.4806798 0.3934268), wk = 0.0022523 k( 297) = ( 0.1538461 0.4806798 0.3934268), wk = 0.0022523 k( 298) = ( 0.1410256 0.4806798 0.3934268), wk = 0.0022523 k( 299) = ( 0.1282051 0.4806798 0.3934268), wk = 0.0022523 k( 300) = ( 0.1153846 0.4806798 0.3934268), wk = 0.0022523 k( 301) = ( 0.1025641 0.4806798 0.3934268), wk = 0.0022523 k( 302) = ( 0.0897436 0.4806798 0.3934268), wk = 0.0022523 k( 303) = ( 0.0769231 0.4806798 0.3934268), wk = 0.0022523 k( 304) = ( 0.0641026 0.4806798 0.3934268), wk = 0.0022523 k( 305) = ( 0.0512821 0.4806798 0.3934268), wk = 0.0022523 k( 306) = ( 0.0384615 0.4806798 0.3934268), wk = 0.0022523 k( 307) = ( 0.0256410 0.4806798 0.3934268), wk = 0.0022523 k( 308) = ( 0.0128205 0.4806798 0.3934268), wk = 0.0022523 k( 309) = ( 0.0000000 0.4806798 0.3934268), wk = 0.0022523 k( 310) = ( 0.0000000 0.4806798 0.3934268), wk = 0.0022523 k( 311) = ( 0.0000000 0.4680303 0.3934268), wk = 0.0022523 k( 312) = ( 0.0000000 0.4553808 0.3934268), wk = 0.0022523 k( 313) = ( 0.0000000 0.4427314 0.3934268), wk = 0.0022523 k( 314) = ( 0.0000000 0.4300819 0.3934268), wk = 0.0022523 k( 315) = ( 0.0000000 0.4174324 0.3934268), wk = 0.0022523 k( 316) = ( 0.0000000 0.4047830 0.3934268), wk = 0.0022523 k( 317) = ( 0.0000000 0.3921335 0.3934268), wk = 0.0022523 k( 318) = ( 0.0000000 0.3794840 0.3934268), wk = 0.0022523 k( 319) = ( 0.0000000 0.3668346 0.3934268), wk = 0.0022523 k( 320) = ( 0.0000000 0.3541851 0.3934268), wk = 0.0022523 k( 321) = ( 0.0000000 0.3415356 0.3934268), wk = 0.0022523 k( 322) = ( 0.0000000 0.3288862 0.3934268), wk = 0.0022523 k( 323) = ( 0.0000000 0.3162367 0.3934268), wk = 0.0022523 k( 324) = ( 0.0000000 0.3035872 0.3934268), wk = 0.0022523 k( 325) = ( 0.0000000 0.2909378 0.3934268), wk = 0.0022523 k( 326) = ( 0.0000000 0.2782883 0.3934268), wk = 0.0022523 k( 327) = ( 0.0000000 0.2656388 0.3934268), wk = 0.0022523 k( 328) = ( 0.0000000 0.2529894 0.3934268), wk = 0.0022523 k( 329) = ( 0.0000000 0.2403399 0.3934268), wk = 0.0022523 k( 330) = ( 0.0000000 0.2276904 0.3934268), wk = 0.0022523 k( 331) = ( 0.0000000 0.2150410 0.3934268), wk = 0.0022523 k( 332) = ( 0.0000000 0.2023915 0.3934268), wk = 0.0022523 k( 333) = ( 0.0000000 0.1897420 0.3934268), wk = 0.0022523 k( 334) = ( 0.0000000 0.1770926 0.3934268), wk = 0.0022523 k( 335) = ( 0.0000000 0.1644431 0.3934268), wk = 0.0022523 k( 336) = ( 0.0000000 0.1517936 0.3934268), wk = 0.0022523 k( 337) = ( 0.0000000 0.1391441 0.3934268), wk = 0.0022523 k( 338) = ( 0.0000000 0.1264947 0.3934268), wk = 0.0022523 k( 339) = ( 0.0000000 0.1138452 0.3934268), wk = 0.0022523 k( 340) = ( 0.0000000 0.1011957 0.3934268), wk = 0.0022523 k( 341) = ( 0.0000000 0.0885463 0.3934268), wk = 0.0022523 k( 342) = ( 0.0000000 0.0758968 0.3934268), wk = 0.0022523 k( 343) = ( 0.0000000 0.0632473 0.3934268), wk = 0.0022523 k( 344) = ( 0.0000000 0.0505979 0.3934268), wk = 0.0022523 k( 345) = ( 0.0000000 0.0379484 0.3934268), wk = 0.0022523 k( 346) = ( 0.0000000 0.0252989 0.3934268), wk = 0.0022523 k( 347) = ( 0.0000000 0.0126495 0.3934268), wk = 0.0022523 k( 348) = ( 0.0000000 0.0000000 0.3934268), wk = 0.0022523 k( 349) = ( 0.0000000 0.4806798 -0.0000000), wk = 0.0022523 k( 350) = ( 0.0000000 0.4806798 0.0126912), wk = 0.0022523 k( 351) = ( 0.0000000 0.4806798 0.0253824), wk = 0.0022523 k( 352) = ( 0.0000000 0.4806798 0.0380736), wk = 0.0022523 k( 353) = ( 0.0000000 0.4806798 0.0507647), wk = 0.0022523 k( 354) = ( 0.0000000 0.4806798 0.0634559), wk = 0.0022523 k( 355) = ( 0.0000000 0.4806798 0.0761471), wk = 0.0022523 k( 356) = ( 0.0000000 0.4806798 0.0888383), wk = 0.0022523 k( 357) = ( 0.0000000 0.4806798 0.1015295), wk = 0.0022523 k( 358) = ( 0.0000000 0.4806798 0.1142207), wk = 0.0022523 k( 359) = ( 0.0000000 0.4806798 0.1269119), wk = 0.0022523 k( 360) = ( 0.0000000 0.4806798 0.1396030), wk = 0.0022523 k( 361) = ( 0.0000000 0.4806798 0.1522942), wk = 0.0022523 k( 362) = ( 0.0000000 0.4806798 0.1649854), wk = 0.0022523 k( 363) = ( 0.0000000 0.4806798 0.1776766), wk = 0.0022523 k( 364) = ( 0.0000000 0.4806798 0.1903678), wk = 0.0022523 k( 365) = ( 0.0000000 0.4806798 0.2030590), wk = 0.0022523 k( 366) = ( 0.0000000 0.4806798 0.2157502), wk = 0.0022523 k( 367) = ( 0.0000000 0.4806798 0.2284414), wk = 0.0022523 k( 368) = ( 0.0000000 0.4806798 0.2411325), wk = 0.0022523 k( 369) = ( 0.0000000 0.4806798 0.2538237), wk = 0.0022523 k( 370) = ( 0.0000000 0.4806798 0.2665149), wk = 0.0022523 k( 371) = ( 0.0000000 0.4806798 0.2792061), wk = 0.0022523 k( 372) = ( 0.0000000 0.4806798 0.2918973), wk = 0.0022523 k( 373) = ( 0.0000000 0.4806798 0.3045885), wk = 0.0022523 k( 374) = ( 0.0000000 0.4806798 0.3172797), wk = 0.0022523 k( 375) = ( 0.0000000 0.4806798 0.3299708), wk = 0.0022523 k( 376) = ( 0.0000000 0.4806798 0.3426620), wk = 0.0022523 k( 377) = ( 0.0000000 0.4806798 0.3553532), wk = 0.0022523 k( 378) = ( 0.0000000 0.4806798 0.3680444), wk = 0.0022523 k( 379) = ( 0.0000000 0.4806798 0.3807356), wk = 0.0022523 k( 380) = ( 0.0000000 0.4806798 0.3934268), wk = 0.0022523 k( 381) = ( 0.5000000 -0.0000000 0.3934268), wk = 0.0022523 k( 382) = ( 0.5000000 -0.0000000 0.3807356), wk = 0.0022523 k( 383) = ( 0.5000000 -0.0000000 0.3680444), wk = 0.0022523 k( 384) = ( 0.5000000 -0.0000000 0.3553532), wk = 0.0022523 k( 385) = ( 0.5000000 -0.0000000 0.3426620), wk = 0.0022523 k( 386) = ( 0.5000000 -0.0000000 0.3299708), wk = 0.0022523 k( 387) = ( 0.5000000 -0.0000000 0.3172797), wk = 0.0022523 k( 388) = ( 0.5000000 -0.0000000 0.3045885), wk = 0.0022523 k( 389) = ( 0.5000000 -0.0000000 0.2918973), wk = 0.0022523 k( 390) = ( 0.5000000 -0.0000000 0.2792061), wk = 0.0022523 k( 391) = ( 0.5000000 -0.0000000 0.2665149), wk = 0.0022523 k( 392) = ( 0.5000000 -0.0000000 0.2538237), wk = 0.0022523 k( 393) = ( 0.5000000 -0.0000000 0.2411325), wk = 0.0022523 k( 394) = ( 0.5000000 -0.0000000 0.2284414), wk = 0.0022523 k( 395) = ( 0.5000000 -0.0000000 0.2157502), wk = 0.0022523 k( 396) = ( 0.5000000 -0.0000000 0.2030590), wk = 0.0022523 k( 397) = ( 0.5000000 -0.0000000 0.1903678), wk = 0.0022523 k( 398) = ( 0.5000000 -0.0000000 0.1776766), wk = 0.0022523 k( 399) = ( 0.5000000 -0.0000000 0.1649854), wk = 0.0022523 k( 400) = ( 0.5000000 -0.0000000 0.1522942), wk = 0.0022523 k( 401) = ( 0.5000000 -0.0000000 0.1396030), wk = 0.0022523 k( 402) = ( 0.5000000 -0.0000000 0.1269119), wk = 0.0022523 k( 403) = ( 0.5000000 -0.0000000 0.1142207), wk = 0.0022523 k( 404) = ( 0.5000000 -0.0000000 0.1015295), wk = 0.0022523 k( 405) = ( 0.5000000 -0.0000000 0.0888383), wk = 0.0022523 k( 406) = ( 0.5000000 -0.0000000 0.0761471), wk = 0.0022523 k( 407) = ( 0.5000000 -0.0000000 0.0634559), wk = 0.0022523 k( 408) = ( 0.5000000 -0.0000000 0.0507647), wk = 0.0022523 k( 409) = ( 0.5000000 -0.0000000 0.0380736), wk = 0.0022523 k( 410) = ( 0.5000000 -0.0000000 0.0253824), wk = 0.0022523 k( 411) = ( 0.5000000 -0.0000000 0.0126912), wk = 0.0022523 k( 412) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0022523 k( 413) = ( 0.5000000 0.4806798 -0.0000000), wk = 0.0022523 k( 414) = ( 0.5000000 0.4806798 0.0126912), wk = 0.0022523 k( 415) = ( 0.5000000 0.4806798 0.0253824), wk = 0.0022523 k( 416) = ( 0.5000000 0.4806798 0.0380736), wk = 0.0022523 k( 417) = ( 0.5000000 0.4806798 0.0507647), wk = 0.0022523 k( 418) = ( 0.5000000 0.4806798 0.0634559), wk = 0.0022523 k( 419) = ( 0.5000000 0.4806798 0.0761471), wk = 0.0022523 k( 420) = ( 0.5000000 0.4806798 0.0888383), wk = 0.0022523 k( 421) = ( 0.5000000 0.4806798 0.1015295), wk = 0.0022523 k( 422) = ( 0.5000000 0.4806798 0.1142207), wk = 0.0022523 k( 423) = ( 0.5000000 0.4806798 0.1269119), wk = 0.0022523 k( 424) = ( 0.5000000 0.4806798 0.1396030), wk = 0.0022523 k( 425) = ( 0.5000000 0.4806798 0.1522942), wk = 0.0022523 k( 426) = ( 0.5000000 0.4806798 0.1649854), wk = 0.0022523 k( 427) = ( 0.5000000 0.4806798 0.1776766), wk = 0.0022523 k( 428) = ( 0.5000000 0.4806798 0.1903678), wk = 0.0022523 k( 429) = ( 0.5000000 0.4806798 0.2030590), wk = 0.0022523 k( 430) = ( 0.5000000 0.4806798 0.2157502), wk = 0.0022523 k( 431) = ( 0.5000000 0.4806798 0.2284414), wk = 0.0022523 k( 432) = ( 0.5000000 0.4806798 0.2411325), wk = 0.0022523 k( 433) = ( 0.5000000 0.4806798 0.2538237), wk = 0.0022523 k( 434) = ( 0.5000000 0.4806798 0.2665149), wk = 0.0022523 k( 435) = ( 0.5000000 0.4806798 0.2792061), wk = 0.0022523 k( 436) = ( 0.5000000 0.4806798 0.2918973), wk = 0.0022523 k( 437) = ( 0.5000000 0.4806798 0.3045885), wk = 0.0022523 k( 438) = ( 0.5000000 0.4806798 0.3172797), wk = 0.0022523 k( 439) = ( 0.5000000 0.4806798 0.3299708), wk = 0.0022523 k( 440) = ( 0.5000000 0.4806798 0.3426620), wk = 0.0022523 k( 441) = ( 0.5000000 0.4806798 0.3553532), wk = 0.0022523 k( 442) = ( 0.5000000 0.4806798 0.3680444), wk = 0.0022523 k( 443) = ( 0.5000000 0.4806798 0.3807356), wk = 0.0022523 k( 444) = ( 0.5000000 0.4806798 0.3934268), wk = 0.0022523 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 2) = ( 0.0128205 0.0000000 0.0000000), wk = 0.0022523 k( 3) = ( 0.0256410 0.0000000 0.0000000), wk = 0.0022523 k( 4) = ( 0.0384615 -0.0000000 -0.0000000), wk = 0.0022523 k( 5) = ( 0.0512821 0.0000000 -0.0000000), wk = 0.0022523 k( 6) = ( 0.0641026 0.0000000 0.0000000), wk = 0.0022523 k( 7) = ( 0.0769231 -0.0000000 -0.0000000), wk = 0.0022523 k( 8) = ( 0.0897436 0.0000000 0.0000000), wk = 0.0022523 k( 9) = ( 0.1025641 0.0000000 -0.0000000), wk = 0.0022523 k( 10) = ( 0.1153846 0.0000000 0.0000000), wk = 0.0022523 k( 11) = ( 0.1282051 0.0000000 -0.0000000), wk = 0.0022523 k( 12) = ( 0.1410256 0.0000000 0.0000000), wk = 0.0022523 k( 13) = ( 0.1538461 0.0000000 0.0000000), wk = 0.0022523 k( 14) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0022523 k( 15) = ( 0.1794872 0.0000000 0.0000000), wk = 0.0022523 k( 16) = ( 0.1923077 0.0000000 0.0000000), wk = 0.0022523 k( 17) = ( 0.2051282 0.0000000 -0.0000000), wk = 0.0022523 k( 18) = ( 0.2179487 0.0000000 0.0000000), wk = 0.0022523 k( 19) = ( 0.2307692 0.0000000 0.0000000), wk = 0.0022523 k( 20) = ( 0.2435897 0.0000000 0.0000000), wk = 0.0022523 k( 21) = ( 0.2564103 0.0000000 -0.0000000), wk = 0.0022523 k( 22) = ( 0.2692308 -0.0000000 0.0000000), wk = 0.0022523 k( 23) = ( 0.2820513 0.0000000 0.0000000), wk = 0.0022523 k( 24) = ( 0.2948718 0.0000000 0.0000000), wk = 0.0022523 k( 25) = ( 0.3076923 0.0000000 -0.0000000), wk = 0.0022523 k( 26) = ( 0.3205128 0.0000000 -0.0000000), wk = 0.0022523 k( 27) = ( 0.3333333 -0.0000000 0.0000000), wk = 0.0022523 k( 28) = ( 0.3461538 0.0000000 0.0000000), wk = 0.0022523 k( 29) = ( 0.3589744 0.0000000 0.0000000), wk = 0.0022523 k( 30) = ( 0.3717949 0.0000000 0.0000000), wk = 0.0022523 k( 31) = ( 0.3846154 0.0000000 0.0000000), wk = 0.0022523 k( 32) = ( 0.3974359 0.0000000 0.0000000), wk = 0.0022523 k( 33) = ( 0.4102564 0.0000000 -0.0000000), wk = 0.0022523 k( 34) = ( 0.4230769 -0.0000000 0.0000000), wk = 0.0022523 k( 35) = ( 0.4358974 0.0000000 0.0000000), wk = 0.0022523 k( 36) = ( 0.4487179 0.0000000 0.0000000), wk = 0.0022523 k( 37) = ( 0.4615385 0.0000000 0.0000000), wk = 0.0022523 k( 38) = ( 0.4743590 0.0000000 0.0000000), wk = 0.0022523 k( 39) = ( 0.4871795 0.0000000 -0.0000000), wk = 0.0022523 k( 40) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022523 k( 41) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022523 k( 42) = ( 0.5000000 0.0131579 0.0000000), wk = 0.0022523 k( 43) = ( 0.5000000 0.0263158 0.0000000), wk = 0.0022523 k( 44) = ( 0.5000000 0.0394737 0.0000000), wk = 0.0022523 k( 45) = ( 0.5000000 0.0526316 0.0000000), wk = 0.0022523 k( 46) = ( 0.5000000 0.0657895 0.0000000), wk = 0.0022523 k( 47) = ( 0.5000000 0.0789474 0.0000000), wk = 0.0022523 k( 48) = ( 0.5000000 0.0921053 0.0000000), wk = 0.0022523 k( 49) = ( 0.5000000 0.1052632 -0.0000000), wk = 0.0022523 k( 50) = ( 0.5000000 0.1184211 -0.0000000), wk = 0.0022523 k( 51) = ( 0.5000000 0.1315790 -0.0000000), wk = 0.0022523 k( 52) = ( 0.5000000 0.1447368 0.0000000), wk = 0.0022523 k( 53) = ( 0.5000000 0.1578947 0.0000000), wk = 0.0022523 k( 54) = ( 0.5000000 0.1710526 0.0000000), wk = 0.0022523 k( 55) = ( 0.5000000 0.1842105 0.0000000), wk = 0.0022523 k( 56) = ( 0.5000000 0.1973684 0.0000000), wk = 0.0022523 k( 57) = ( 0.5000000 0.2105263 0.0000000), wk = 0.0022523 k( 58) = ( 0.5000000 0.2236842 -0.0000000), wk = 0.0022523 k( 59) = ( 0.5000000 0.2368421 0.0000000), wk = 0.0022523 k( 60) = ( 0.5000000 0.2500000 0.0000000), wk = 0.0022523 k( 61) = ( 0.5000000 0.2631579 0.0000000), wk = 0.0022523 k( 62) = ( 0.5000000 0.2763158 0.0000000), wk = 0.0022523 k( 63) = ( 0.5000000 0.2894737 -0.0000000), wk = 0.0022523 k( 64) = ( 0.5000000 0.3026316 0.0000000), wk = 0.0022523 k( 65) = ( 0.5000000 0.3157895 0.0000000), wk = 0.0022523 k( 66) = ( 0.5000000 0.3289474 -0.0000000), wk = 0.0022523 k( 67) = ( 0.5000000 0.3421053 0.0000000), wk = 0.0022523 k( 68) = ( 0.5000000 0.3552632 0.0000000), wk = 0.0022523 k( 69) = ( 0.5000000 0.3684211 0.0000000), wk = 0.0022523 k( 70) = ( 0.5000000 0.3815790 0.0000000), wk = 0.0022523 k( 71) = ( 0.5000000 0.3947368 0.0000000), wk = 0.0022523 k( 72) = ( 0.5000000 0.4078947 -0.0000000), wk = 0.0022523 k( 73) = ( 0.5000000 0.4210526 0.0000000), wk = 0.0022523 k( 74) = ( 0.5000000 0.4342105 0.0000000), wk = 0.0022523 k( 75) = ( 0.5000000 0.4473684 0.0000000), wk = 0.0022523 k( 76) = ( 0.5000000 0.4605263 0.0000000), wk = 0.0022523 k( 77) = ( 0.5000000 0.4736842 0.0000000), wk = 0.0022523 k( 78) = ( 0.5000000 0.4868421 0.0000000), wk = 0.0022523 k( 79) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022523 k( 80) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022523 k( 81) = ( 0.4871795 0.5000000 -0.0000000), wk = 0.0022523 k( 82) = ( 0.4743590 0.5000000 0.0000000), wk = 0.0022523 k( 83) = ( 0.4615385 0.5000000 0.0000000), wk = 0.0022523 k( 84) = ( 0.4487179 0.5000000 -0.0000000), wk = 0.0022523 k( 85) = ( 0.4358974 0.5000000 0.0000000), wk = 0.0022523 k( 86) = ( 0.4230769 0.5000000 0.0000000), wk = 0.0022523 k( 87) = ( 0.4102564 0.5000000 0.0000000), wk = 0.0022523 k( 88) = ( 0.3974359 0.5000000 0.0000000), wk = 0.0022523 k( 89) = ( 0.3846154 0.5000000 -0.0000000), wk = 0.0022523 k( 90) = ( 0.3717949 0.5000000 0.0000000), wk = 0.0022523 k( 91) = ( 0.3589744 0.5000000 -0.0000000), wk = 0.0022523 k( 92) = ( 0.3461538 0.5000000 0.0000000), wk = 0.0022523 k( 93) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0022523 k( 94) = ( 0.3205128 0.5000000 0.0000000), wk = 0.0022523 k( 95) = ( 0.3076923 0.5000000 -0.0000000), wk = 0.0022523 k( 96) = ( 0.2948718 0.5000000 0.0000000), wk = 0.0022523 k( 97) = ( 0.2820513 0.5000000 -0.0000000), wk = 0.0022523 k( 98) = ( 0.2692308 0.5000000 0.0000000), wk = 0.0022523 k( 99) = ( 0.2564103 0.5000000 0.0000000), wk = 0.0022523 k( 100) = ( 0.2435897 0.5000000 0.0000000), wk = 0.0022523 k( 101) = ( 0.2307692 0.5000000 0.0000000), wk = 0.0022523 k( 102) = ( 0.2179487 0.5000000 0.0000000), wk = 0.0022523 k( 103) = ( 0.2051282 0.5000000 0.0000000), wk = 0.0022523 k( 104) = ( 0.1923077 0.5000000 0.0000000), wk = 0.0022523 k( 105) = ( 0.1794872 0.5000000 0.0000000), wk = 0.0022523 k( 106) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0022523 k( 107) = ( 0.1538461 0.5000000 0.0000000), wk = 0.0022523 k( 108) = ( 0.1410256 0.5000000 0.0000000), wk = 0.0022523 k( 109) = ( 0.1282051 0.5000000 0.0000000), wk = 0.0022523 k( 110) = ( 0.1153846 0.5000000 0.0000000), wk = 0.0022523 k( 111) = ( 0.1025641 0.5000000 0.0000000), wk = 0.0022523 k( 112) = ( 0.0897436 0.5000000 0.0000000), wk = 0.0022523 k( 113) = ( 0.0769231 0.5000000 0.0000000), wk = 0.0022523 k( 114) = ( 0.0641026 0.5000000 0.0000000), wk = 0.0022523 k( 115) = ( 0.0512821 0.5000000 0.0000000), wk = 0.0022523 k( 116) = ( 0.0384615 0.5000000 0.0000000), wk = 0.0022523 k( 117) = ( 0.0256410 0.5000000 0.0000000), wk = 0.0022523 k( 118) = ( 0.0128205 0.5000000 0.0000000), wk = 0.0022523 k( 119) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022523 k( 120) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022523 k( 121) = ( 0.0000000 0.4868421 0.0000000), wk = 0.0022523 k( 122) = ( 0.0000000 0.4736842 0.0000000), wk = 0.0022523 k( 123) = ( 0.0000000 0.4605263 0.0000000), wk = 0.0022523 k( 124) = ( 0.0000000 0.4473684 0.0000000), wk = 0.0022523 k( 125) = ( 0.0000000 0.4342105 0.0000000), wk = 0.0022523 k( 126) = ( 0.0000000 0.4210526 0.0000000), wk = 0.0022523 k( 127) = ( 0.0000000 0.4078947 -0.0000000), wk = 0.0022523 k( 128) = ( 0.0000000 0.3947368 0.0000000), wk = 0.0022523 k( 129) = ( 0.0000000 0.3815790 0.0000000), wk = 0.0022523 k( 130) = ( 0.0000000 0.3684211 0.0000000), wk = 0.0022523 k( 131) = ( 0.0000000 0.3552632 -0.0000000), wk = 0.0022523 k( 132) = ( 0.0000000 0.3421053 0.0000000), wk = 0.0022523 k( 133) = ( 0.0000000 0.3289474 0.0000000), wk = 0.0022523 k( 134) = ( 0.0000000 0.3157895 0.0000000), wk = 0.0022523 k( 135) = ( 0.0000000 0.3026316 0.0000000), wk = 0.0022523 k( 136) = ( 0.0000000 0.2894737 0.0000000), wk = 0.0022523 k( 137) = ( 0.0000000 0.2763158 0.0000000), wk = 0.0022523 k( 138) = ( 0.0000000 0.2631579 0.0000000), wk = 0.0022523 k( 139) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0022523 k( 140) = ( 0.0000000 0.2368421 0.0000000), wk = 0.0022523 k( 141) = ( 0.0000000 0.2236842 0.0000000), wk = 0.0022523 k( 142) = ( 0.0000000 0.2105263 -0.0000000), wk = 0.0022523 k( 143) = ( 0.0000000 0.1973684 0.0000000), wk = 0.0022523 k( 144) = ( 0.0000000 0.1842105 -0.0000000), wk = 0.0022523 k( 145) = ( 0.0000000 0.1710526 0.0000000), wk = 0.0022523 k( 146) = ( 0.0000000 0.1578947 0.0000000), wk = 0.0022523 k( 147) = ( 0.0000000 0.1447368 0.0000000), wk = 0.0022523 k( 148) = ( 0.0000000 0.1315790 0.0000000), wk = 0.0022523 k( 149) = ( 0.0000000 0.1184211 0.0000000), wk = 0.0022523 k( 150) = ( 0.0000000 0.1052632 -0.0000000), wk = 0.0022523 k( 151) = ( 0.0000000 0.0921053 -0.0000000), wk = 0.0022523 k( 152) = ( 0.0000000 0.0789474 0.0000000), wk = 0.0022523 k( 153) = ( 0.0000000 0.0657895 0.0000000), wk = 0.0022523 k( 154) = ( 0.0000000 0.0526316 -0.0000000), wk = 0.0022523 k( 155) = ( 0.0000000 0.0394737 -0.0000000), wk = 0.0022523 k( 156) = ( 0.0000000 0.0263158 -0.0000000), wk = 0.0022523 k( 157) = ( 0.0000000 0.0131579 0.0000000), wk = 0.0022523 k( 158) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 159) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022523 k( 160) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0022523 k( 161) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0022523 k( 162) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0022523 k( 163) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0022523 k( 164) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0022523 k( 165) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0022523 k( 166) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0022523 k( 167) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0022523 k( 168) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0022523 k( 169) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0022523 k( 170) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0022523 k( 171) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0022523 k( 172) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0022523 k( 173) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0022523 k( 174) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0022523 k( 175) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0022523 k( 176) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0022523 k( 177) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0022523 k( 178) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0022523 k( 179) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0022523 k( 180) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0022523 k( 181) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0022523 k( 182) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0022523 k( 183) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0022523 k( 184) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0022523 k( 185) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0022523 k( 186) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0022523 k( 187) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0022523 k( 188) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0022523 k( 189) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0022523 k( 190) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022523 k( 191) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022523 k( 192) = ( 0.0128205 0.0000000 0.5000000), wk = 0.0022523 k( 193) = ( 0.0256410 0.0000000 0.5000000), wk = 0.0022523 k( 194) = ( 0.0384615 -0.0000000 0.5000000), wk = 0.0022523 k( 195) = ( 0.0512821 0.0000000 0.5000000), wk = 0.0022523 k( 196) = ( 0.0641026 0.0000000 0.5000000), wk = 0.0022523 k( 197) = ( 0.0769231 -0.0000000 0.5000000), wk = 0.0022523 k( 198) = ( 0.0897436 0.0000000 0.5000000), wk = 0.0022523 k( 199) = ( 0.1025641 0.0000000 0.5000000), wk = 0.0022523 k( 200) = ( 0.1153846 0.0000000 0.5000000), wk = 0.0022523 k( 201) = ( 0.1282051 0.0000000 0.5000000), wk = 0.0022523 k( 202) = ( 0.1410256 0.0000000 0.5000000), wk = 0.0022523 k( 203) = ( 0.1538461 0.0000000 0.5000000), wk = 0.0022523 k( 204) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0022523 k( 205) = ( 0.1794872 0.0000000 0.5000000), wk = 0.0022523 k( 206) = ( 0.1923077 0.0000000 0.5000000), wk = 0.0022523 k( 207) = ( 0.2051282 0.0000000 0.5000000), wk = 0.0022523 k( 208) = ( 0.2179487 0.0000000 0.5000000), wk = 0.0022523 k( 209) = ( 0.2307692 0.0000000 0.5000000), wk = 0.0022523 k( 210) = ( 0.2435897 0.0000000 0.5000000), wk = 0.0022523 k( 211) = ( 0.2564103 0.0000000 0.5000000), wk = 0.0022523 k( 212) = ( 0.2692308 -0.0000000 0.5000000), wk = 0.0022523 k( 213) = ( 0.2820513 0.0000000 0.5000000), wk = 0.0022523 k( 214) = ( 0.2948718 0.0000000 0.5000000), wk = 0.0022523 k( 215) = ( 0.3076923 0.0000000 0.5000000), wk = 0.0022523 k( 216) = ( 0.3205128 0.0000000 0.5000000), wk = 0.0022523 k( 217) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0022523 k( 218) = ( 0.3461538 0.0000000 0.5000000), wk = 0.0022523 k( 219) = ( 0.3589744 0.0000000 0.5000000), wk = 0.0022523 k( 220) = ( 0.3717949 0.0000000 0.5000000), wk = 0.0022523 k( 221) = ( 0.3846154 0.0000000 0.5000000), wk = 0.0022523 k( 222) = ( 0.3974359 0.0000000 0.5000000), wk = 0.0022523 k( 223) = ( 0.4102564 0.0000000 0.5000000), wk = 0.0022523 k( 224) = ( 0.4230769 -0.0000000 0.5000000), wk = 0.0022523 k( 225) = ( 0.4358974 0.0000000 0.5000000), wk = 0.0022523 k( 226) = ( 0.4487179 0.0000000 0.5000000), wk = 0.0022523 k( 227) = ( 0.4615385 0.0000000 0.5000000), wk = 0.0022523 k( 228) = ( 0.4743590 0.0000000 0.5000000), wk = 0.0022523 k( 229) = ( 0.4871795 0.0000000 0.5000000), wk = 0.0022523 k( 230) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022523 k( 231) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022523 k( 232) = ( 0.5000000 0.0131579 0.5000000), wk = 0.0022523 k( 233) = ( 0.5000000 0.0263158 0.5000000), wk = 0.0022523 k( 234) = ( 0.5000000 0.0394737 0.5000000), wk = 0.0022523 k( 235) = ( 0.5000000 0.0526316 0.5000000), wk = 0.0022523 k( 236) = ( 0.5000000 0.0657895 0.5000000), wk = 0.0022523 k( 237) = ( 0.5000000 0.0789474 0.5000000), wk = 0.0022523 k( 238) = ( 0.5000000 0.0921053 0.5000000), wk = 0.0022523 k( 239) = ( 0.5000000 0.1052632 0.5000000), wk = 0.0022523 k( 240) = ( 0.5000000 0.1184211 0.5000000), wk = 0.0022523 k( 241) = ( 0.5000000 0.1315790 0.5000000), wk = 0.0022523 k( 242) = ( 0.5000000 0.1447368 0.5000000), wk = 0.0022523 k( 243) = ( 0.5000000 0.1578947 0.5000000), wk = 0.0022523 k( 244) = ( 0.5000000 0.1710526 0.5000000), wk = 0.0022523 k( 245) = ( 0.5000000 0.1842105 0.5000000), wk = 0.0022523 k( 246) = ( 0.5000000 0.1973684 0.5000000), wk = 0.0022523 k( 247) = ( 0.5000000 0.2105263 0.5000000), wk = 0.0022523 k( 248) = ( 0.5000000 0.2236842 0.5000000), wk = 0.0022523 k( 249) = ( 0.5000000 0.2368421 0.5000000), wk = 0.0022523 k( 250) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0022523 k( 251) = ( 0.5000000 0.2631579 0.5000000), wk = 0.0022523 k( 252) = ( 0.5000000 0.2763158 0.5000000), wk = 0.0022523 k( 253) = ( 0.5000000 0.2894737 0.5000000), wk = 0.0022523 k( 254) = ( 0.5000000 0.3026316 0.5000000), wk = 0.0022523 k( 255) = ( 0.5000000 0.3157895 0.5000000), wk = 0.0022523 k( 256) = ( 0.5000000 0.3289474 0.5000000), wk = 0.0022523 k( 257) = ( 0.5000000 0.3421053 0.5000000), wk = 0.0022523 k( 258) = ( 0.5000000 0.3552632 0.5000000), wk = 0.0022523 k( 259) = ( 0.5000000 0.3684211 0.5000000), wk = 0.0022523 k( 260) = ( 0.5000000 0.3815790 0.5000000), wk = 0.0022523 k( 261) = ( 0.5000000 0.3947368 0.5000000), wk = 0.0022523 k( 262) = ( 0.5000000 0.4078947 0.5000000), wk = 0.0022523 k( 263) = ( 0.5000000 0.4210526 0.5000000), wk = 0.0022523 k( 264) = ( 0.5000000 0.4342105 0.5000000), wk = 0.0022523 k( 265) = ( 0.5000000 0.4473684 0.5000000), wk = 0.0022523 k( 266) = ( 0.5000000 0.4605263 0.5000000), wk = 0.0022523 k( 267) = ( 0.5000000 0.4736842 0.5000000), wk = 0.0022523 k( 268) = ( 0.5000000 0.4868421 0.5000000), wk = 0.0022523 k( 269) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022523 k( 270) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022523 k( 271) = ( 0.4871795 0.5000000 0.5000000), wk = 0.0022523 k( 272) = ( 0.4743590 0.5000000 0.5000000), wk = 0.0022523 k( 273) = ( 0.4615385 0.5000000 0.5000000), wk = 0.0022523 k( 274) = ( 0.4487179 0.5000000 0.5000000), wk = 0.0022523 k( 275) = ( 0.4358974 0.5000000 0.5000000), wk = 0.0022523 k( 276) = ( 0.4230769 0.5000000 0.5000000), wk = 0.0022523 k( 277) = ( 0.4102564 0.5000000 0.5000000), wk = 0.0022523 k( 278) = ( 0.3974359 0.5000000 0.5000000), wk = 0.0022523 k( 279) = ( 0.3846154 0.5000000 0.5000000), wk = 0.0022523 k( 280) = ( 0.3717949 0.5000000 0.5000000), wk = 0.0022523 k( 281) = ( 0.3589744 0.5000000 0.5000000), wk = 0.0022523 k( 282) = ( 0.3461538 0.5000000 0.5000000), wk = 0.0022523 k( 283) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0022523 k( 284) = ( 0.3205128 0.5000000 0.5000000), wk = 0.0022523 k( 285) = ( 0.3076923 0.5000000 0.5000000), wk = 0.0022523 k( 286) = ( 0.2948718 0.5000000 0.5000000), wk = 0.0022523 k( 287) = ( 0.2820513 0.5000000 0.5000000), wk = 0.0022523 k( 288) = ( 0.2692308 0.5000000 0.5000000), wk = 0.0022523 k( 289) = ( 0.2564103 0.5000000 0.5000000), wk = 0.0022523 k( 290) = ( 0.2435897 0.5000000 0.5000000), wk = 0.0022523 k( 291) = ( 0.2307692 0.5000000 0.5000000), wk = 0.0022523 k( 292) = ( 0.2179487 0.5000000 0.5000000), wk = 0.0022523 k( 293) = ( 0.2051282 0.5000000 0.5000000), wk = 0.0022523 k( 294) = ( 0.1923077 0.5000000 0.5000000), wk = 0.0022523 k( 295) = ( 0.1794872 0.5000000 0.5000000), wk = 0.0022523 k( 296) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0022523 k( 297) = ( 0.1538461 0.5000000 0.5000000), wk = 0.0022523 k( 298) = ( 0.1410256 0.5000000 0.5000000), wk = 0.0022523 k( 299) = ( 0.1282051 0.5000000 0.5000000), wk = 0.0022523 k( 300) = ( 0.1153846 0.5000000 0.5000000), wk = 0.0022523 k( 301) = ( 0.1025641 0.5000000 0.5000000), wk = 0.0022523 k( 302) = ( 0.0897436 0.5000000 0.5000000), wk = 0.0022523 k( 303) = ( 0.0769231 0.5000000 0.5000000), wk = 0.0022523 k( 304) = ( 0.0641026 0.5000000 0.5000000), wk = 0.0022523 k( 305) = ( 0.0512821 0.5000000 0.5000000), wk = 0.0022523 k( 306) = ( 0.0384615 0.5000000 0.5000000), wk = 0.0022523 k( 307) = ( 0.0256410 0.5000000 0.5000000), wk = 0.0022523 k( 308) = ( 0.0128205 0.5000000 0.5000000), wk = 0.0022523 k( 309) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022523 k( 310) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022523 k( 311) = ( 0.0000000 0.4868421 0.5000000), wk = 0.0022523 k( 312) = ( 0.0000000 0.4736842 0.5000000), wk = 0.0022523 k( 313) = ( 0.0000000 0.4605263 0.5000000), wk = 0.0022523 k( 314) = ( 0.0000000 0.4473684 0.5000000), wk = 0.0022523 k( 315) = ( 0.0000000 0.4342105 0.5000000), wk = 0.0022523 k( 316) = ( 0.0000000 0.4210526 0.5000000), wk = 0.0022523 k( 317) = ( 0.0000000 0.4078947 0.5000000), wk = 0.0022523 k( 318) = ( 0.0000000 0.3947368 0.5000000), wk = 0.0022523 k( 319) = ( 0.0000000 0.3815790 0.5000000), wk = 0.0022523 k( 320) = ( 0.0000000 0.3684211 0.5000000), wk = 0.0022523 k( 321) = ( 0.0000000 0.3552632 0.5000000), wk = 0.0022523 k( 322) = ( 0.0000000 0.3421053 0.5000000), wk = 0.0022523 k( 323) = ( 0.0000000 0.3289474 0.5000000), wk = 0.0022523 k( 324) = ( 0.0000000 0.3157895 0.5000000), wk = 0.0022523 k( 325) = ( 0.0000000 0.3026316 0.5000000), wk = 0.0022523 k( 326) = ( 0.0000000 0.2894737 0.5000000), wk = 0.0022523 k( 327) = ( 0.0000000 0.2763158 0.5000000), wk = 0.0022523 k( 328) = ( 0.0000000 0.2631579 0.5000000), wk = 0.0022523 k( 329) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0022523 k( 330) = ( 0.0000000 0.2368421 0.5000000), wk = 0.0022523 k( 331) = ( 0.0000000 0.2236842 0.5000000), wk = 0.0022523 k( 332) = ( 0.0000000 0.2105263 0.5000000), wk = 0.0022523 k( 333) = ( 0.0000000 0.1973684 0.5000000), wk = 0.0022523 k( 334) = ( 0.0000000 0.1842105 0.5000000), wk = 0.0022523 k( 335) = ( 0.0000000 0.1710526 0.5000000), wk = 0.0022523 k( 336) = ( 0.0000000 0.1578947 0.5000000), wk = 0.0022523 k( 337) = ( 0.0000000 0.1447368 0.5000000), wk = 0.0022523 k( 338) = ( 0.0000000 0.1315790 0.5000000), wk = 0.0022523 k( 339) = ( 0.0000000 0.1184211 0.5000000), wk = 0.0022523 k( 340) = ( 0.0000000 0.1052632 0.5000000), wk = 0.0022523 k( 341) = ( 0.0000000 0.0921053 0.5000000), wk = 0.0022523 k( 342) = ( 0.0000000 0.0789474 0.5000000), wk = 0.0022523 k( 343) = ( 0.0000000 0.0657895 0.5000000), wk = 0.0022523 k( 344) = ( 0.0000000 0.0526316 0.5000000), wk = 0.0022523 k( 345) = ( 0.0000000 0.0394737 0.5000000), wk = 0.0022523 k( 346) = ( 0.0000000 0.0263158 0.5000000), wk = 0.0022523 k( 347) = ( 0.0000000 0.0131579 0.5000000), wk = 0.0022523 k( 348) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022523 k( 349) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022523 k( 350) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0022523 k( 351) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0022523 k( 352) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0022523 k( 353) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0022523 k( 354) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0022523 k( 355) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0022523 k( 356) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0022523 k( 357) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0022523 k( 358) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0022523 k( 359) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0022523 k( 360) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0022523 k( 361) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0022523 k( 362) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0022523 k( 363) = ( 0.0000000 0.5000000 0.2258064), wk = 0.0022523 k( 364) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0022523 k( 365) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0022523 k( 366) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0022523 k( 367) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0022523 k( 368) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0022523 k( 369) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0022523 k( 370) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0022523 k( 371) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0022523 k( 372) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0022523 k( 373) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0022523 k( 374) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0022523 k( 375) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0022523 k( 376) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0022523 k( 377) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0022523 k( 378) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0022523 k( 379) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0022523 k( 380) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022523 k( 381) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0022523 k( 382) = ( 0.5000000 0.0000000 0.4838710), wk = 0.0022523 k( 383) = ( 0.5000000 0.0000000 0.4677419), wk = 0.0022523 k( 384) = ( 0.5000000 0.0000000 0.4516129), wk = 0.0022523 k( 385) = ( 0.5000000 0.0000000 0.4354839), wk = 0.0022523 k( 386) = ( 0.5000000 0.0000000 0.4193548), wk = 0.0022523 k( 387) = ( 0.5000000 0.0000000 0.4032258), wk = 0.0022523 k( 388) = ( 0.5000000 0.0000000 0.3870968), wk = 0.0022523 k( 389) = ( 0.5000000 0.0000000 0.3709677), wk = 0.0022523 k( 390) = ( 0.5000000 0.0000000 0.3548387), wk = 0.0022523 k( 391) = ( 0.5000000 0.0000000 0.3387097), wk = 0.0022523 k( 392) = ( 0.5000000 0.0000000 0.3225807), wk = 0.0022523 k( 393) = ( 0.5000000 0.0000000 0.3064516), wk = 0.0022523 k( 394) = ( 0.5000000 0.0000000 0.2903226), wk = 0.0022523 k( 395) = ( 0.5000000 0.0000000 0.2741936), wk = 0.0022523 k( 396) = ( 0.5000000 0.0000000 0.2580645), wk = 0.0022523 k( 397) = ( 0.5000000 0.0000000 0.2419355), wk = 0.0022523 k( 398) = ( 0.5000000 0.0000000 0.2258064), wk = 0.0022523 k( 399) = ( 0.5000000 0.0000000 0.2096774), wk = 0.0022523 k( 400) = ( 0.5000000 0.0000000 0.1935484), wk = 0.0022523 k( 401) = ( 0.5000000 0.0000000 0.1774194), wk = 0.0022523 k( 402) = ( 0.5000000 0.0000000 0.1612903), wk = 0.0022523 k( 403) = ( 0.5000000 0.0000000 0.1451613), wk = 0.0022523 k( 404) = ( 0.5000000 0.0000000 0.1290323), wk = 0.0022523 k( 405) = ( 0.5000000 0.0000000 0.1129032), wk = 0.0022523 k( 406) = ( 0.5000000 0.0000000 0.0967742), wk = 0.0022523 k( 407) = ( 0.5000000 0.0000000 0.0806452), wk = 0.0022523 k( 408) = ( 0.5000000 0.0000000 0.0645161), wk = 0.0022523 k( 409) = ( 0.5000000 0.0000000 0.0483871), wk = 0.0022523 k( 410) = ( 0.5000000 0.0000000 0.0322581), wk = 0.0022523 k( 411) = ( 0.5000000 0.0000000 0.0161290), wk = 0.0022523 k( 412) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0022523 k( 413) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0022523 k( 414) = ( 0.5000000 0.5000000 0.0161290), wk = 0.0022523 k( 415) = ( 0.5000000 0.5000000 0.0322581), wk = 0.0022523 k( 416) = ( 0.5000000 0.5000000 0.0483871), wk = 0.0022523 k( 417) = ( 0.5000000 0.5000000 0.0645161), wk = 0.0022523 k( 418) = ( 0.5000000 0.5000000 0.0806452), wk = 0.0022523 k( 419) = ( 0.5000000 0.5000000 0.0967742), wk = 0.0022523 k( 420) = ( 0.5000000 0.5000000 0.1129032), wk = 0.0022523 k( 421) = ( 0.5000000 0.5000000 0.1290323), wk = 0.0022523 k( 422) = ( 0.5000000 0.5000000 0.1451613), wk = 0.0022523 k( 423) = ( 0.5000000 0.5000000 0.1612903), wk = 0.0022523 k( 424) = ( 0.5000000 0.5000000 0.1774194), wk = 0.0022523 k( 425) = ( 0.5000000 0.5000000 0.1935484), wk = 0.0022523 k( 426) = ( 0.5000000 0.5000000 0.2096774), wk = 0.0022523 k( 427) = ( 0.5000000 0.5000000 0.2258064), wk = 0.0022523 k( 428) = ( 0.5000000 0.5000000 0.2419355), wk = 0.0022523 k( 429) = ( 0.5000000 0.5000000 0.2580645), wk = 0.0022523 k( 430) = ( 0.5000000 0.5000000 0.2741936), wk = 0.0022523 k( 431) = ( 0.5000000 0.5000000 0.2903226), wk = 0.0022523 k( 432) = ( 0.5000000 0.5000000 0.3064516), wk = 0.0022523 k( 433) = ( 0.5000000 0.5000000 0.3225807), wk = 0.0022523 k( 434) = ( 0.5000000 0.5000000 0.3387097), wk = 0.0022523 k( 435) = ( 0.5000000 0.5000000 0.3548387), wk = 0.0022523 k( 436) = ( 0.5000000 0.5000000 0.3709677), wk = 0.0022523 k( 437) = ( 0.5000000 0.5000000 0.3870968), wk = 0.0022523 k( 438) = ( 0.5000000 0.5000000 0.4032258), wk = 0.0022523 k( 439) = ( 0.5000000 0.5000000 0.4193548), wk = 0.0022523 k( 440) = ( 0.5000000 0.5000000 0.4354839), wk = 0.0022523 k( 441) = ( 0.5000000 0.5000000 0.4516129), wk = 0.0022523 k( 442) = ( 0.5000000 0.5000000 0.4677419), wk = 0.0022523 k( 443) = ( 0.5000000 0.5000000 0.4838710), wk = 0.0022523 k( 444) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0022523 Dense grid: 55669 G-vectors FFT dimensions: ( 45, 45, 60) Smooth grid: 27843 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 244, 58) NL pseudopotentials 0.27 Mb ( 122, 144) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1742) G-vector shells 0.01 Mb ( 852) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.86 Mb ( 244, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.25 Mb ( 144, 2, 58) The potential is recalculated from file : ./LaF3.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4.5 secs Computing kpt #: 2 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 7.3 secs Computing kpt #: 3 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 9.9 secs Computing kpt #: 4 total cpu time spent up to now is 12.5 secs Computing kpt #: 5 total cpu time spent up to now is 15.1 secs Computing kpt #: 6 total cpu time spent up to now is 17.3 secs Computing kpt #: 7 total cpu time spent up to now is 19.4 secs Computing kpt #: 8 total cpu time spent up to now is 21.2 secs Computing kpt #: 9 total cpu time spent up to now is 23.0 secs Computing kpt #: 10 total cpu time spent up to now is 24.8 secs Computing kpt #: 11 total cpu time spent up to now is 26.5 secs Computing kpt #: 12 total cpu time spent up to now is 28.2 secs Computing kpt #: 13 total cpu time spent up to now is 30.2 secs Computing kpt #: 14 total cpu time spent up to now is 32.2 secs Computing kpt #: 15 total cpu time spent up to now is 34.1 secs Computing kpt #: 16 total cpu time spent up to now is 36.1 secs Computing kpt #: 17 total cpu time spent up to now is 38.0 secs Computing kpt #: 18 total cpu time spent up to now is 39.8 secs Computing kpt #: 19 total cpu time spent up to now is 41.5 secs Computing kpt #: 20 total cpu time spent up to now is 43.1 secs Computing kpt #: 21 total cpu time spent up to now is 44.6 secs Computing kpt #: 22 total cpu time spent up to now is 46.2 secs Computing kpt #: 23 total cpu time spent up to now is 47.7 secs Computing kpt #: 24 total cpu time spent up to now is 49.2 secs Computing kpt #: 25 total cpu time spent up to now is 50.7 secs Computing kpt #: 26 total cpu time spent up to now is 52.2 secs Computing kpt #: 27 total cpu time spent up to now is 53.7 secs Computing kpt #: 28 total cpu time spent up to now is 55.3 secs Computing kpt #: 29 total cpu time spent up to now is 56.9 secs Computing kpt #: 30 total cpu time spent up to now is 58.5 secs Computing kpt #: 31 total cpu time spent up to now is 60.1 secs Computing kpt #: 32 total cpu time spent up to now is 61.7 secs Computing kpt #: 33 total cpu time spent up to now is 63.4 secs Computing kpt #: 34 total cpu time spent up to now is 65.0 secs Computing kpt #: 35 total cpu time spent up to now is 66.7 secs Computing kpt #: 36 total cpu time spent up to now is 68.4 secs Computing kpt #: 37 total cpu time spent up to now is 70.4 secs Computing kpt #: 38 total cpu time spent up to now is 72.4 secs Computing kpt #: 39 total cpu time spent up to now is 74.7 secs Computing kpt #: 40 total cpu time spent up to now is 76.4 secs Computing kpt #: 41 total cpu time spent up to now is 78.0 secs Computing kpt #: 42 total cpu time spent up to now is 79.7 secs Computing kpt #: 43 total cpu time spent up to now is 81.3 secs Computing kpt #: 44 total cpu time spent up to now is 83.0 secs Computing kpt #: 45 total cpu time spent up to now is 84.7 secs Computing kpt #: 46 total cpu time spent up to now is 86.4 secs Computing kpt #: 47 total cpu time spent up to now is 88.6 secs Computing kpt #: 48 total cpu time spent up to now is 92.8 secs Computing kpt #: 49 total cpu time spent up to now is 94.8 secs Computing kpt #: 50 total cpu time spent up to now is 96.8 secs Computing kpt #: 51 total cpu time spent up to now is 98.6 secs Computing kpt #: 52 total cpu time spent up to now is 100.5 secs Computing kpt #: 53 total cpu time spent up to now is 102.3 secs Computing kpt #: 54 total cpu time spent up to now is 104.1 secs Computing kpt #: 55 total cpu time spent up to now is 105.7 secs Computing kpt #: 56 total cpu time spent up to now is 107.2 secs Computing kpt #: 57 total cpu time spent up to now is 108.7 secs Computing kpt #: 58 total cpu time spent up to now is 110.2 secs Computing kpt #: 59 total cpu time spent up to now is 111.7 secs Computing kpt #: 60 total cpu time spent up to now is 113.1 secs Computing kpt #: 61 total cpu time spent up to now is 114.5 secs Computing kpt #: 62 total cpu time spent up to now is 115.9 secs Computing kpt #: 63 total cpu time spent up to now is 117.4 secs Computing kpt #: 64 total cpu time spent up to now is 118.8 secs Computing kpt #: 65 total cpu time spent up to now is 120.2 secs Computing kpt #: 66 total cpu time spent up to now is 121.6 secs Computing kpt #: 67 total cpu time spent up to now is 123.1 secs Computing kpt #: 68 total cpu time spent up to now is 124.5 secs Computing kpt #: 69 total cpu time spent up to now is 125.9 secs Computing kpt #: 70 total cpu time spent up to now is 127.3 secs Computing kpt #: 71 total cpu time spent up to now is 128.7 secs Computing kpt #: 72 total cpu time spent up to now is 130.1 secs Computing kpt #: 73 total cpu time spent up to now is 131.6 secs Computing kpt #: 74 total cpu time spent up to now is 133.0 secs Computing kpt #: 75 total cpu time spent up to now is 134.4 secs Computing kpt #: 76 total cpu time spent up to now is 135.8 secs Computing kpt #: 77 total cpu time spent up to now is 137.3 secs Computing kpt #: 78 total cpu time spent up to now is 138.7 secs Computing kpt #: 79 total cpu time spent up to now is 140.1 secs Computing kpt #: 80 total cpu time spent up to now is 141.5 secs Computing kpt #: 81 total cpu time spent up to now is 143.9 secs Computing kpt #: 82 total cpu time spent up to now is 145.9 secs Computing kpt #: 83 total cpu time spent up to now is 147.7 secs Computing kpt #: 84 total cpu time spent up to now is 149.4 secs Computing kpt #: 85 total cpu time spent up to now is 151.1 secs Computing kpt #: 86 total cpu time spent up to now is 152.8 secs Computing kpt #: 87 total cpu time spent up to now is 154.5 secs Computing kpt #: 88 total cpu time spent up to now is 156.2 secs Computing kpt #: 89 total cpu time spent up to now is 157.8 secs Computing kpt #: 90 total cpu time spent up to now is 159.5 secs Computing kpt #: 91 total cpu time spent up to now is 161.2 secs Computing kpt #: 92 total cpu time spent up to now is 162.9 secs Computing kpt #: 93 total cpu time spent up to now is 164.6 secs Computing kpt #: 94 total cpu time spent up to now is 166.2 secs Computing kpt #: 95 total cpu time spent up to now is 168.0 secs Computing kpt #: 96 total cpu time spent up to now is 169.7 secs Computing kpt #: 97 total cpu time spent up to now is 171.5 secs Computing kpt #: 98 total cpu time spent up to now is 173.5 secs Computing kpt #: 99 total cpu time spent up to now is 175.8 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 178.5 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 181.3 secs Computing kpt #: 102 total cpu time spent up to now is 183.7 secs Computing kpt #: 103 total cpu time spent up to now is 185.8 secs Computing kpt #: 104 total cpu time spent up to now is 187.5 secs Computing kpt #: 105 total cpu time spent up to now is 189.3 secs Computing kpt #: 106 total cpu time spent up to now is 191.0 secs Computing kpt #: 107 total cpu time spent up to now is 192.7 secs Computing kpt #: 108 total cpu time spent up to now is 194.4 secs Computing kpt #: 109 total cpu time spent up to now is 196.0 secs Computing kpt #: 110 total cpu time spent up to now is 197.6 secs Computing kpt #: 111 total cpu time spent up to now is 199.2 secs Computing kpt #: 112 total cpu time spent up to now is 200.7 secs Computing kpt #: 113 total cpu time spent up to now is 202.3 secs Computing kpt #: 114 total cpu time spent up to now is 203.9 secs Computing kpt #: 115 total cpu time spent up to now is 205.6 secs Computing kpt #: 116 total cpu time spent up to now is 207.3 secs Computing kpt #: 117 total cpu time spent up to now is 209.1 secs Computing kpt #: 118 total cpu time spent up to now is 210.9 secs Computing kpt #: 119 total cpu time spent up to now is 212.6 secs Computing kpt #: 120 total cpu time spent up to now is 214.3 secs Computing kpt #: 121 total cpu time spent up to now is 216.0 secs Computing kpt #: 122 total cpu time spent up to now is 217.8 secs Computing kpt #: 123 total cpu time spent up to now is 219.7 secs Computing kpt #: 124 total cpu time spent up to now is 221.5 secs Computing kpt #: 125 total cpu time spent up to now is 223.3 secs Computing kpt #: 126 total cpu time spent up to now is 225.2 secs Computing kpt #: 127 total cpu time spent up to now is 227.1 secs Computing kpt #: 128 total cpu time spent up to now is 229.1 secs Computing kpt #: 129 total cpu time spent up to now is 231.1 secs Computing kpt #: 130 total cpu time spent up to now is 233.1 secs Computing kpt #: 131 total cpu time spent up to now is 235.1 secs Computing kpt #: 132 total cpu time spent up to now is 237.2 secs Computing kpt #: 133 total cpu time spent up to now is 239.7 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 242.3 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 244.9 secs Computing kpt #: 136 total cpu time spent up to now is 246.9 secs Computing kpt #: 137 total cpu time spent up to now is 248.9 secs Computing kpt #: 138 total cpu time spent up to now is 250.9 secs Computing kpt #: 139 total cpu time spent up to now is 252.9 secs Computing kpt #: 140 total cpu time spent up to now is 255.2 secs Computing kpt #: 141 total cpu time spent up to now is 257.3 secs Computing kpt #: 142 total cpu time spent up to now is 259.5 secs Computing kpt #: 143 total cpu time spent up to now is 261.8 secs Computing kpt #: 144 total cpu time spent up to now is 263.9 secs Computing kpt #: 145 total cpu time spent up to now is 266.2 secs Computing kpt #: 146 total cpu time spent up to now is 268.4 secs Computing kpt #: 147 total cpu time spent up to now is 270.5 secs Computing kpt #: 148 total cpu time spent up to now is 272.7 secs Computing kpt #: 149 total cpu time spent up to now is 274.9 secs Computing kpt #: 150 total cpu time spent up to now is 277.0 secs Computing kpt #: 151 total cpu time spent up to now is 279.3 secs Computing kpt #: 152 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 281.9 secs Computing kpt #: 153 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 284.6 secs Computing kpt #: 154 total cpu time spent up to now is 287.1 secs Computing kpt #: 155 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 289.7 secs Computing kpt #: 156 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 292.3 secs Computing kpt #: 157 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 294.9 secs Computing kpt #: 158 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 297.5 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 300.1 secs Computing kpt #: 160 total cpu time spent up to now is 302.7 secs Computing kpt #: 161 total cpu time spent up to now is 304.7 secs Computing kpt #: 162 total cpu time spent up to now is 306.6 secs Computing kpt #: 163 total cpu time spent up to now is 308.4 secs Computing kpt #: 164 total cpu time spent up to now is 310.0 secs Computing kpt #: 165 total cpu time spent up to now is 311.6 secs Computing kpt #: 166 total cpu time spent up to now is 313.2 secs Computing kpt #: 167 total cpu time spent up to now is 314.8 secs Computing kpt #: 168 total cpu time spent up to now is 316.4 secs Computing kpt #: 169 total cpu time spent up to now is 317.9 secs Computing kpt #: 170 total cpu time spent up to now is 319.6 secs Computing kpt #: 171 total cpu time spent up to now is 321.3 secs Computing kpt #: 172 total cpu time spent up to now is 322.9 secs Computing kpt #: 173 total cpu time spent up to now is 324.7 secs Computing kpt #: 174 total cpu time spent up to now is 326.4 secs Computing kpt #: 175 total cpu time spent up to now is 328.1 secs Computing kpt #: 176 total cpu time spent up to now is 329.8 secs Computing kpt #: 177 total cpu time spent up to now is 331.6 secs Computing kpt #: 178 total cpu time spent up to now is 333.4 secs Computing kpt #: 179 total cpu time spent up to now is 335.2 secs Computing kpt #: 180 total cpu time spent up to now is 337.0 secs Computing kpt #: 181 total cpu time spent up to now is 338.7 secs Computing kpt #: 182 total cpu time spent up to now is 340.5 secs Computing kpt #: 183 total cpu time spent up to now is 342.3 secs Computing kpt #: 184 total cpu time spent up to now is 344.1 secs Computing kpt #: 185 total cpu time spent up to now is 345.9 secs Computing kpt #: 186 total cpu time spent up to now is 347.8 secs Computing kpt #: 187 total cpu time spent up to now is 349.8 secs Computing kpt #: 188 total cpu time spent up to now is 352.3 secs Computing kpt #: 189 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 355.1 secs Computing kpt #: 190 total cpu time spent up to now is 356.6 secs Computing kpt #: 191 total cpu time spent up to now is 358.2 secs Computing kpt #: 192 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 360.9 secs Computing kpt #: 193 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 363.6 secs Computing kpt #: 194 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 366.3 secs Computing kpt #: 195 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 369.0 secs Computing kpt #: 196 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 371.7 secs Computing kpt #: 197 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 374.4 secs Computing kpt #: 198 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 377.1 secs Computing kpt #: 199 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 379.7 secs Computing kpt #: 200 total cpu time spent up to now is 382.3 secs Computing kpt #: 201 total cpu time spent up to now is 384.9 secs Computing kpt #: 202 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 387.5 secs Computing kpt #: 203 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 390.2 secs Computing kpt #: 204 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 393.0 secs Computing kpt #: 205 total cpu time spent up to now is 398.4 secs Computing kpt #: 206 total cpu time spent up to now is 401.0 secs Computing kpt #: 207 total cpu time spent up to now is 403.6 secs Computing kpt #: 208 total cpu time spent up to now is 406.1 secs Computing kpt #: 209 total cpu time spent up to now is 408.7 secs Computing kpt #: 210 total cpu time spent up to now is 411.2 secs Computing kpt #: 211 total cpu time spent up to now is 413.8 secs Computing kpt #: 212 total cpu time spent up to now is 416.5 secs Computing kpt #: 213 total cpu time spent up to now is 419.2 secs Computing kpt #: 214 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 421.9 secs Computing kpt #: 215 total cpu time spent up to now is 423.5 secs Computing kpt #: 216 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 426.2 secs Computing kpt #: 217 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 429.0 secs Computing kpt #: 218 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 431.7 secs Computing kpt #: 219 total cpu time spent up to now is 434.3 secs Computing kpt #: 220 total cpu time spent up to now is 436.9 secs Computing kpt #: 221 total cpu time spent up to now is 439.6 secs Computing kpt #: 222 total cpu time spent up to now is 442.2 secs Computing kpt #: 223 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 444.9 secs Computing kpt #: 224 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 447.7 secs Computing kpt #: 225 total cpu time spent up to now is 450.4 secs Computing kpt #: 226 total cpu time spent up to now is 453.1 secs Computing kpt #: 227 total cpu time spent up to now is 455.8 secs Computing kpt #: 228 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 458.6 secs Computing kpt #: 229 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 461.3 secs Computing kpt #: 230 total cpu time spent up to now is 462.8 secs Computing kpt #: 231 total cpu time spent up to now is 464.2 secs Computing kpt #: 232 total cpu time spent up to now is 465.7 secs Computing kpt #: 233 total cpu time spent up to now is 467.2 secs Computing kpt #: 234 total cpu time spent up to now is 468.6 secs Computing kpt #: 235 total cpu time spent up to now is 470.1 secs Computing kpt #: 236 total cpu time spent up to now is 471.6 secs Computing kpt #: 237 total cpu time spent up to now is 473.1 secs Computing kpt #: 238 total cpu time spent up to now is 474.5 secs Computing kpt #: 239 total cpu time spent up to now is 476.0 secs Computing kpt #: 240 total cpu time spent up to now is 477.5 secs Computing kpt #: 241 total cpu time spent up to now is 479.0 secs Computing kpt #: 242 total cpu time spent up to now is 480.7 secs Computing kpt #: 243 total cpu time spent up to now is 482.4 secs Computing kpt #: 244 total cpu time spent up to now is 484.2 secs Computing kpt #: 245 total cpu time spent up to now is 486.0 secs Computing kpt #: 246 total cpu time spent up to now is 487.7 secs Computing kpt #: 247 total cpu time spent up to now is 489.3 secs Computing kpt #: 248 total cpu time spent up to now is 490.8 secs Computing kpt #: 249 total cpu time spent up to now is 492.3 secs Computing kpt #: 250 total cpu time spent up to now is 493.9 secs Computing kpt #: 251 total cpu time spent up to now is 495.6 secs Computing kpt #: 252 total cpu time spent up to now is 497.4 secs Computing kpt #: 253 total cpu time spent up to now is 499.2 secs Computing kpt #: 254 total cpu time spent up to now is 501.0 secs Computing kpt #: 255 total cpu time spent up to now is 502.9 secs Computing kpt #: 256 total cpu time spent up to now is 504.8 secs Computing kpt #: 257 total cpu time spent up to now is 506.7 secs Computing kpt #: 258 total cpu time spent up to now is 508.6 secs Computing kpt #: 259 total cpu time spent up to now is 510.4 secs Computing kpt #: 260 total cpu time spent up to now is 512.2 secs Computing kpt #: 261 total cpu time spent up to now is 514.0 secs Computing kpt #: 262 total cpu time spent up to now is 515.7 secs Computing kpt #: 263 total cpu time spent up to now is 517.5 secs Computing kpt #: 264 total cpu time spent up to now is 519.2 secs Computing kpt #: 265 total cpu time spent up to now is 520.9 secs Computing kpt #: 266 total cpu time spent up to now is 522.7 secs Computing kpt #: 267 total cpu time spent up to now is 524.4 secs Computing kpt #: 268 total cpu time spent up to now is 526.1 secs Computing kpt #: 269 total cpu time spent up to now is 527.8 secs Computing kpt #: 270 total cpu time spent up to now is 529.5 secs Computing kpt #: 271 total cpu time spent up to now is 532.1 secs Computing kpt #: 272 total cpu time spent up to now is 534.2 secs Computing kpt #: 273 total cpu time spent up to now is 536.3 secs Computing kpt #: 274 total cpu time spent up to now is 538.4 secs Computing kpt #: 275 total cpu time spent up to now is 540.5 secs Computing kpt #: 276 total cpu time spent up to now is 542.5 secs Computing kpt #: 277 total cpu time spent up to now is 544.6 secs Computing kpt #: 278 total cpu time spent up to now is 546.6 secs Computing kpt #: 279 total cpu time spent up to now is 548.6 secs Computing kpt #: 280 total cpu time spent up to now is 550.7 secs Computing kpt #: 281 total cpu time spent up to now is 552.7 secs Computing kpt #: 282 total cpu time spent up to now is 554.8 secs Computing kpt #: 283 total cpu time spent up to now is 556.8 secs Computing kpt #: 284 total cpu time spent up to now is 558.9 secs Computing kpt #: 285 total cpu time spent up to now is 561.3 secs Computing kpt #: 286 total cpu time spent up to now is 563.5 secs Computing kpt #: 287 total cpu time spent up to now is 565.8 secs Computing kpt #: 288 total cpu time spent up to now is 568.0 secs Computing kpt #: 289 total cpu time spent up to now is 570.3 secs Computing kpt #: 290 total cpu time spent up to now is 572.4 secs Computing kpt #: 291 total cpu time spent up to now is 574.4 secs Computing kpt #: 292 total cpu time spent up to now is 576.5 secs Computing kpt #: 293 total cpu time spent up to now is 578.5 secs Computing kpt #: 294 total cpu time spent up to now is 580.4 secs Computing kpt #: 295 total cpu time spent up to now is 582.4 secs Computing kpt #: 296 total cpu time spent up to now is 584.4 secs Computing kpt #: 297 total cpu time spent up to now is 586.3 secs Computing kpt #: 298 total cpu time spent up to now is 588.3 secs Computing kpt #: 299 total cpu time spent up to now is 590.3 secs Computing kpt #: 300 total cpu time spent up to now is 592.4 secs Computing kpt #: 301 total cpu time spent up to now is 594.4 secs Computing kpt #: 302 total cpu time spent up to now is 596.4 secs Computing kpt #: 303 total cpu time spent up to now is 598.7 secs Computing kpt #: 304 total cpu time spent up to now is 601.2 secs Computing kpt #: 305 total cpu time spent up to now is 603.7 secs Computing kpt #: 306 total cpu time spent up to now is 606.3 secs Computing kpt #: 307 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 609.0 secs Computing kpt #: 308 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 611.7 secs Computing kpt #: 309 total cpu time spent up to now is 613.3 secs Computing kpt #: 310 total cpu time spent up to now is 614.9 secs Computing kpt #: 311 total cpu time spent up to now is 616.5 secs Computing kpt #: 312 total cpu time spent up to now is 618.1 secs Computing kpt #: 313 total cpu time spent up to now is 619.7 secs Computing kpt #: 314 total cpu time spent up to now is 621.3 secs Computing kpt #: 315 total cpu time spent up to now is 622.9 secs Computing kpt #: 316 total cpu time spent up to now is 624.5 secs Computing kpt #: 317 total cpu time spent up to now is 626.2 secs Computing kpt #: 318 total cpu time spent up to now is 627.9 secs Computing kpt #: 319 total cpu time spent up to now is 629.6 secs Computing kpt #: 320 total cpu time spent up to now is 631.4 secs Computing kpt #: 321 total cpu time spent up to now is 633.3 secs Computing kpt #: 322 total cpu time spent up to now is 635.2 secs Computing kpt #: 323 total cpu time spent up to now is 637.3 secs Computing kpt #: 324 total cpu time spent up to now is 639.4 secs Computing kpt #: 325 total cpu time spent up to now is 641.5 secs Computing kpt #: 326 total cpu time spent up to now is 643.7 secs Computing kpt #: 327 total cpu time spent up to now is 645.8 secs Computing kpt #: 328 total cpu time spent up to now is 647.9 secs Computing kpt #: 329 total cpu time spent up to now is 649.8 secs Computing kpt #: 330 total cpu time spent up to now is 651.6 secs Computing kpt #: 331 total cpu time spent up to now is 653.2 secs Computing kpt #: 332 total cpu time spent up to now is 654.8 secs Computing kpt #: 333 total cpu time spent up to now is 656.4 secs Computing kpt #: 334 total cpu time spent up to now is 657.9 secs Computing kpt #: 335 total cpu time spent up to now is 659.4 secs Computing kpt #: 336 total cpu time spent up to now is 660.9 secs Computing kpt #: 337 total cpu time spent up to now is 662.4 secs Computing kpt #: 338 total cpu time spent up to now is 663.8 secs Computing kpt #: 339 total cpu time spent up to now is 665.4 secs Computing kpt #: 340 total cpu time spent up to now is 667.0 secs Computing kpt #: 341 total cpu time spent up to now is 668.6 secs Computing kpt #: 342 total cpu time spent up to now is 670.2 secs Computing kpt #: 343 total cpu time spent up to now is 671.7 secs Computing kpt #: 344 total cpu time spent up to now is 673.4 secs Computing kpt #: 345 total cpu time spent up to now is 675.0 secs Computing kpt #: 346 total cpu time spent up to now is 676.5 secs Computing kpt #: 347 total cpu time spent up to now is 678.1 secs Computing kpt #: 348 total cpu time spent up to now is 679.7 secs Computing kpt #: 349 total cpu time spent up to now is 681.4 secs Computing kpt #: 350 total cpu time spent up to now is 683.1 secs Computing kpt #: 351 total cpu time spent up to now is 684.8 secs Computing kpt #: 352 total cpu time spent up to now is 686.5 secs Computing kpt #: 353 total cpu time spent up to now is 688.2 secs Computing kpt #: 354 total cpu time spent up to now is 689.9 secs Computing kpt #: 355 total cpu time spent up to now is 691.5 secs Computing kpt #: 356 total cpu time spent up to now is 693.2 secs Computing kpt #: 357 total cpu time spent up to now is 697.8 secs Computing kpt #: 358 total cpu time spent up to now is 699.6 secs Computing kpt #: 359 total cpu time spent up to now is 701.2 secs Computing kpt #: 360 total cpu time spent up to now is 702.8 secs Computing kpt #: 361 total cpu time spent up to now is 704.4 secs Computing kpt #: 362 total cpu time spent up to now is 706.0 secs Computing kpt #: 363 total cpu time spent up to now is 707.6 secs Computing kpt #: 364 total cpu time spent up to now is 709.3 secs Computing kpt #: 365 total cpu time spent up to now is 710.9 secs Computing kpt #: 366 total cpu time spent up to now is 712.5 secs Computing kpt #: 367 total cpu time spent up to now is 714.1 secs Computing kpt #: 368 total cpu time spent up to now is 715.8 secs Computing kpt #: 369 total cpu time spent up to now is 717.4 secs Computing kpt #: 370 total cpu time spent up to now is 719.1 secs Computing kpt #: 371 total cpu time spent up to now is 720.8 secs Computing kpt #: 372 total cpu time spent up to now is 722.5 secs Computing kpt #: 373 total cpu time spent up to now is 724.2 secs Computing kpt #: 374 total cpu time spent up to now is 726.0 secs Computing kpt #: 375 total cpu time spent up to now is 727.9 secs Computing kpt #: 376 total cpu time spent up to now is 729.8 secs Computing kpt #: 377 total cpu time spent up to now is 731.8 secs Computing kpt #: 378 total cpu time spent up to now is 733.9 secs Computing kpt #: 379 total cpu time spent up to now is 736.4 secs Computing kpt #: 380 total cpu time spent up to now is 738.0 secs Computing kpt #: 381 total cpu time spent up to now is 739.5 secs Computing kpt #: 382 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 742.2 secs Computing kpt #: 383 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 745.0 secs Computing kpt #: 384 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 747.7 secs Computing kpt #: 385 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 750.4 secs Computing kpt #: 386 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 753.2 secs Computing kpt #: 387 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 755.9 secs Computing kpt #: 388 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 758.6 secs Computing kpt #: 389 total cpu time spent up to now is 761.3 secs Computing kpt #: 390 total cpu time spent up to now is 764.0 secs Computing kpt #: 391 total cpu time spent up to now is 766.6 secs Computing kpt #: 392 total cpu time spent up to now is 769.3 secs Computing kpt #: 393 total cpu time spent up to now is 771.9 secs Computing kpt #: 394 total cpu time spent up to now is 774.0 secs Computing kpt #: 395 total cpu time spent up to now is 776.2 secs Computing kpt #: 396 total cpu time spent up to now is 778.4 secs Computing kpt #: 397 total cpu time spent up to now is 780.5 secs Computing kpt #: 398 total cpu time spent up to now is 782.6 secs Computing kpt #: 399 total cpu time spent up to now is 784.7 secs Computing kpt #: 400 total cpu time spent up to now is 786.7 secs Computing kpt #: 401 total cpu time spent up to now is 788.8 secs Computing kpt #: 402 total cpu time spent up to now is 790.8 secs Computing kpt #: 403 total cpu time spent up to now is 792.9 secs Computing kpt #: 404 total cpu time spent up to now is 795.0 secs Computing kpt #: 405 total cpu time spent up to now is 797.1 secs Computing kpt #: 406 total cpu time spent up to now is 799.3 secs Computing kpt #: 407 total cpu time spent up to now is 801.7 secs Computing kpt #: 408 total cpu time spent up to now is 804.3 secs Computing kpt #: 409 total cpu time spent up to now is 806.9 secs Computing kpt #: 410 total cpu time spent up to now is 809.5 secs Computing kpt #: 411 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 812.2 secs Computing kpt #: 412 total cpu time spent up to now is 813.9 secs Computing kpt #: 413 total cpu time spent up to now is 815.3 secs Computing kpt #: 414 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 818.0 secs Computing kpt #: 415 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 820.8 secs Computing kpt #: 416 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 823.5 secs Computing kpt #: 417 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 826.2 secs Computing kpt #: 418 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 829.0 secs Computing kpt #: 419 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 831.7 secs Computing kpt #: 420 total cpu time spent up to now is 834.1 secs Computing kpt #: 421 total cpu time spent up to now is 836.5 secs Computing kpt #: 422 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 839.3 secs Computing kpt #: 423 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 842.1 secs Computing kpt #: 424 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 844.8 secs Computing kpt #: 425 total cpu time spent up to now is 847.2 secs Computing kpt #: 426 total cpu time spent up to now is 849.6 secs Computing kpt #: 427 total cpu time spent up to now is 852.0 secs Computing kpt #: 428 total cpu time spent up to now is 853.8 secs Computing kpt #: 429 total cpu time spent up to now is 856.2 secs Computing kpt #: 430 total cpu time spent up to now is 858.4 secs Computing kpt #: 431 total cpu time spent up to now is 860.6 secs Computing kpt #: 432 total cpu time spent up to now is 862.4 secs Computing kpt #: 433 total cpu time spent up to now is 864.7 secs Computing kpt #: 434 total cpu time spent up to now is 866.8 secs Computing kpt #: 435 total cpu time spent up to now is 868.6 secs Computing kpt #: 436 total cpu time spent up to now is 870.9 secs Computing kpt #: 437 total cpu time spent up to now is 873.0 secs Computing kpt #: 438 total cpu time spent up to now is 875.3 secs Computing kpt #: 439 total cpu time spent up to now is 877.4 secs Computing kpt #: 440 total cpu time spent up to now is 879.4 secs Computing kpt #: 441 total cpu time spent up to now is 882.0 secs Computing kpt #: 442 total cpu time spent up to now is 884.4 secs Computing kpt #: 443 total cpu time spent up to now is 886.6 secs Computing kpt #: 444 total cpu time spent up to now is 888.3 secs ethr = 2.08E-11, avg # of iterations = 67.8 total cpu time spent up to now is 888.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3481 PWs) bands (ev): -16.5259 -16.5259 -15.8866 -15.8866 -15.0254 -15.0254 -14.9752 -14.9752 -14.7441 -14.7441 -14.1019 -14.1019 0.4438 0.4438 0.8708 0.8708 1.3736 1.3736 1.5647 1.5647 2.3648 2.3648 2.4695 2.4695 2.6409 2.6409 2.7891 2.7891 2.8055 2.8055 3.2431 3.2431 3.8165 3.8165 3.8295 3.8295 4.4685 4.4685 4.6797 4.6797 4.9668 4.9668 5.3951 5.3951 5.4363 5.4363 5.6118 5.6118 12.9428 12.9428 13.3651 13.3651 13.5051 13.5051 14.1602 14.1602 14.9253 14.9253 k = 0.0128-0.0000-0.0000 ( 3477 PWs) bands (ev): -16.5248 -16.5248 -15.8859 -15.8859 -15.0258 -15.0258 -14.9756 -14.9756 -14.7440 -14.7440 -14.1024 -14.1024 0.4453 0.4453 0.8712 0.8712 1.3753 1.3753 1.5617 1.5617 2.3596 2.3596 2.4749 2.4749 2.6406 2.6406 2.7823 2.7823 2.8133 2.8133 3.2443 3.2443 3.8199 3.8199 3.8299 3.8299 4.4679 4.4679 4.6766 4.6766 4.9674 4.9674 5.3947 5.3947 5.4363 5.4363 5.6118 5.6118 12.9438 12.9438 13.3421 13.3421 13.5248 13.5248 14.1627 14.1627 14.9224 14.9224 k = 0.0256-0.0000-0.0000 ( 3481 PWs) bands (ev): -16.5215 -16.5215 -15.8839 -15.8839 -15.0269 -15.0269 -14.9767 -14.9767 -14.7438 -14.7438 -14.1038 -14.1038 0.4497 0.4497 0.8725 0.8725 1.3806 1.3806 1.5528 1.5528 2.3458 2.3458 2.4890 2.4890 2.6394 2.6394 2.7714 2.7714 2.8268 2.8268 3.2479 3.2479 3.8294 3.8294 3.8316 3.8316 4.4660 4.4660 4.6675 4.6675 4.9693 4.9693 5.3937 5.3937 5.4363 5.4363 5.6118 5.6118 12.9466 12.9466 13.2927 13.2927 13.5641 13.5641 14.1701 14.1701 14.9156 14.9156 k = 0.0385-0.0000-0.0000 ( 3479 PWs) bands (ev): -16.5161 -16.5161 -15.8806 -15.8806 -15.0287 -15.0287 -14.9786 -14.9786 -14.7433 -14.7433 -14.1062 -14.1062 0.4572 0.4572 0.8746 0.8746 1.3894 1.3894 1.5385 1.5385 2.3265 2.3265 2.5086 2.5086 2.6375 2.6375 2.7607 2.7607 2.8422 2.8422 3.2539 3.2539 3.8332 3.8332 3.8463 3.8463 4.4628 4.4628 4.6523 4.6523 4.9723 4.9723 5.3921 5.3921 5.4364 5.4364 5.6118 5.6118 12.9514 12.9514 13.2344 13.2344 13.6053 13.6053 14.1828 14.1828 14.9063 14.9063 k = 0.0513-0.0000-0.0000 ( 3479 PWs) bands (ev): -16.5085 -16.5085 -15.8760 -15.8760 -15.0312 -15.0312 -14.9812 -14.9812 -14.7428 -14.7428 -14.1095 -14.1095 0.4677 0.4677 0.8776 0.8776 1.4015 1.4015 1.5196 1.5196 2.3031 2.3031 2.5309 2.5309 2.6347 2.6347 2.7511 2.7511 2.8592 2.8592 3.2621 3.2621 3.8364 3.8364 3.8683 3.8683 4.4583 4.4583 4.6313 4.6313 4.9765 4.9765 5.3898 5.3898 5.4364 5.4364 5.6118 5.6118 12.9580 12.9580 13.1728 13.1728 13.6424 13.6424 14.2013 14.2013 14.8924 14.8924 k = 0.0641-0.0000-0.0000 ( 3471 PWs) bands (ev): -16.4988 -16.4988 -15.8701 -15.8701 -15.0345 -15.0345 -14.9845 -14.9845 -14.7420 -14.7420 -14.1138 -14.1138 0.4810 0.4810 0.8815 0.8815 1.4171 1.4171 1.4970 1.4970 2.2767 2.2767 2.5535 2.5535 2.6312 2.6312 2.7435 2.7435 2.8779 2.8779 3.2724 3.2724 3.8404 3.8404 3.8957 3.8957 4.4526 4.4526 4.6046 4.6046 4.9818 4.9818 5.3870 5.3870 5.4363 5.4363 5.6118 5.6118 12.9664 12.9664 13.1101 13.1101 13.6731 13.6731 14.2257 14.2257 14.8687 14.8687 k = 0.0769-0.0000-0.0000 ( 3465 PWs) bands (ev): -16.4871 -16.4871 -15.8630 -15.8630 -15.0384 -15.0384 -14.9885 -14.9885 -14.7410 -14.7410 -14.1189 -14.1189 0.4973 0.4973 0.8862 0.8862 1.4358 1.4358 1.4714 1.4714 2.2477 2.2477 2.5737 2.5737 2.6270 2.6270 2.7400 2.7400 2.8984 2.8984 3.2848 3.2848 3.8455 3.8455 3.9276 3.9276 4.4458 4.4458 4.5723 4.5723 4.9884 4.9884 5.3837 5.3837 5.4361 5.4361 5.6118 5.6118 12.9761 12.9761 13.0478 13.0478 13.6965 13.6965 14.2558 14.2558 14.8350 14.8350 k = 0.0897-0.0000-0.0000 ( 3477 PWs) bands (ev): -16.4733 -16.4733 -15.8548 -15.8548 -15.0429 -15.0429 -14.9931 -14.9931 -14.7399 -14.7399 -14.1250 -14.1250 0.5164 0.5164 0.8919 0.8919 1.4436 1.4436 1.4579 1.4579 2.2166 2.2166 2.5875 2.5875 2.6220 2.6220 2.7430 2.7430 2.9208 2.9208 3.2991 3.2991 3.8517 3.8517 3.9632 3.9632 4.4378 4.4378 4.5347 4.5347 4.9961 4.9961 5.3800 5.3800 5.4358 5.4358 5.6119 5.6119 12.9771 12.9771 12.9966 12.9966 13.7126 13.7126 14.2909 14.2909 14.7957 14.7957 k = 0.1026-0.0000-0.0000 ( 3479 PWs) bands (ev): -16.4576 -16.4576 -15.8455 -15.8455 -15.0481 -15.0481 -14.9985 -14.9985 -14.7386 -14.7386 -14.1319 -14.1319 0.5383 0.5383 0.8986 0.8986 1.4148 1.4148 1.4827 1.4827 2.1838 2.1838 2.5920 2.5920 2.6165 2.6165 2.7551 2.7551 2.9452 2.9452 3.3150 3.3150 3.8590 3.8590 4.0021 4.0021 4.4288 4.4288 4.4921 4.4921 5.0048 5.0048 5.3757 5.3757 5.4354 5.4354 5.6119 5.6119 12.9224 12.9224 13.0042 13.0042 13.7219 13.7219 14.3299 14.3299 14.7532 14.7532 k = 0.1154-0.0000-0.0000 ( 3487 PWs) bands (ev): -16.4400 -16.4400 -15.8353 -15.8353 -15.0538 -15.0538 -15.0044 -15.0044 -14.7371 -14.7371 -14.1396 -14.1396 0.5629 0.5629 0.9062 0.9062 1.3854 1.3854 1.5104 1.5104 2.1498 2.1498 2.5873 2.5873 2.6098 2.6098 2.7755 2.7755 2.9716 2.9716 3.3323 3.3323 3.8675 3.8675 4.0435 4.0435 4.4188 4.4188 4.4448 4.4448 5.0147 5.0147 5.3711 5.3711 5.4349 5.4349 5.6120 5.6120 12.8639 12.8639 13.0190 13.0190 13.7253 13.7253 14.3709 14.3709 14.7092 14.7092 k = 0.1282-0.0000-0.0000 ( 3491 PWs) bands (ev): -16.4207 -16.4207 -15.8241 -15.8241 -15.0600 -15.0600 -15.0108 -15.0108 -14.7354 -14.7354 -14.1481 -14.1481 0.5902 0.5902 0.9149 0.9149 1.3560 1.3560 1.5407 1.5407 2.1151 2.1151 2.5759 2.5759 2.6016 2.6016 2.8016 2.8016 3.0001 3.0001 3.3509 3.3509 3.8774 3.8774 4.0867 4.0867 4.3924 4.3924 4.4085 4.4085 5.0256 5.0256 5.3661 5.3661 5.4343 5.4343 5.6122 5.6122 12.8074 12.8074 13.0355 13.0355 13.7237 13.7237 14.4119 14.4119 14.6651 14.6651 k = 0.1410-0.0000-0.0000 ( 3487 PWs) bands (ev): -16.3997 -16.3997 -15.8122 -15.8122 -15.0667 -15.0667 -15.0178 -15.0178 -14.7334 -14.7334 -14.1574 -14.1574 0.6200 0.6200 0.9247 0.9247 1.3271 1.3271 1.5735 1.5735 2.0800 2.0800 2.5599 2.5599 2.5923 2.5923 2.8304 2.8304 3.0307 3.0307 3.3704 3.3704 3.8886 3.8886 4.1311 4.1311 4.3366 4.3366 4.3968 4.3968 5.0375 5.0375 5.3608 5.3608 5.4337 5.4337 5.6123 5.6123 12.7536 12.7536 13.0534 13.0534 13.7180 13.7180 14.4488 14.4488 14.6241 14.6241 k = 0.1538-0.0000-0.0000 ( 3483 PWs) bands (ev): -16.3770 -16.3770 -15.7995 -15.7995 -15.0739 -15.0739 -15.0253 -15.0253 -14.7312 -14.7312 -14.1674 -14.1674 0.6523 0.6523 0.9356 0.9356 1.2993 1.2993 1.6085 1.6085 2.0449 2.0449 2.5404 2.5404 2.5820 2.5820 2.8602 2.8602 3.0635 3.0635 3.3905 3.3905 3.9012 3.9012 4.1761 4.1761 4.2768 4.2768 4.3847 4.3847 5.0504 5.0504 5.3552 5.3552 5.4332 5.4332 5.6125 5.6125 12.7029 12.7029 13.0726 13.0726 13.7091 13.7091 14.4724 14.4724 14.5944 14.5944 k = 0.1667-0.0000-0.0000 ( 3481 PWs) bands (ev): -16.3529 -16.3529 -15.7862 -15.7862 -15.0814 -15.0814 -15.0332 -15.0332 -14.7288 -14.7288 -14.1782 -14.1782 0.6870 0.6870 0.9476 0.9476 1.2728 1.2728 1.6454 1.6454 2.0102 2.0102 2.5182 2.5182 2.5708 2.5708 2.8894 2.8894 3.0982 3.0982 3.4110 3.4110 3.9152 3.9152 4.2132 4.2132 4.2212 4.2212 4.3725 4.3725 5.0641 5.0641 5.3493 5.3493 5.4327 5.4327 5.6127 5.6127 12.6556 12.6556 13.0928 13.0928 13.6975 13.6975 14.4657 14.4657 14.5909 14.5909 k = 0.1795-0.0000-0.0000 ( 3483 PWs) bands (ev): -16.3274 -16.3274 -15.7725 -15.7725 -15.0892 -15.0892 -15.0415 -15.0415 -14.7262 -14.7262 -14.1895 -14.1895 0.7239 0.7239 0.9607 0.9607 1.2481 1.2481 1.6839 1.6839 1.9762 1.9762 2.4939 2.4939 2.5589 2.5589 2.9174 2.9174 3.1349 3.1349 3.4313 3.4313 3.9307 3.9307 4.1471 4.1471 4.2649 4.2649 4.3605 4.3605 5.0786 5.0786 5.3431 5.3431 5.4324 5.4324 5.6129 5.6129 12.6122 12.6122 13.1138 13.1138 13.6840 13.6840 14.4331 14.4331 14.6060 14.6060 k = 0.1923-0.0000-0.0000 ( 3481 PWs) bands (ev): -16.3006 -16.3006 -15.7585 -15.7585 -15.0973 -15.0973 -15.0501 -15.0501 -14.7232 -14.7232 -14.2015 -14.2015 0.7629 0.7629 0.9751 0.9751 1.2253 1.2253 1.7236 1.7236 1.9432 1.9432 2.4678 2.4678 2.5464 2.5464 2.9435 2.9435 3.1735 3.1735 3.4512 3.4512 3.9476 3.9476 4.0781 4.0781 4.3052 4.3052 4.3512 4.3512 5.0939 5.0939 5.3368 5.3368 5.4322 5.4322 5.6130 5.6130 12.5729 12.5729 13.1355 13.1355 13.6690 13.6690 14.3914 14.3914 14.6179 14.6179 k = 0.2051-0.0000-0.0000 ( 3485 PWs) bands (ev): -16.2727 -16.2727 -15.7442 -15.7442 -15.1055 -15.1055 -15.0590 -15.0590 -14.7201 -14.7201 -14.2140 -14.2140 0.8039 0.8039 0.9906 0.9906 1.2048 1.2048 1.7639 1.7639 1.9115 1.9115 2.4401 2.4401 2.5334 2.5334 2.9672 2.9672 3.2136 3.2136 3.4703 3.4703 3.9659 3.9659 4.0072 4.0072 4.3234 4.3234 4.3629 4.3629 5.1097 5.1097 5.3304 5.3304 5.4324 5.4324 5.6132 5.6132 12.5380 12.5380 13.1577 13.1577 13.6529 13.6529 14.3473 14.3473 14.6164 14.6164 k = 0.2179-0.0000-0.0000 ( 3487 PWs) bands (ev): -16.2438 -16.2438 -15.7299 -15.7299 -15.1140 -15.1140 -15.0681 -15.0681 -14.7166 -14.7166 -14.2270 -14.2270 0.8466 0.8466 1.0074 1.0074 1.1868 1.1868 1.8040 1.8040 1.8817 1.8817 2.4109 2.4110 2.5204 2.5204 2.9881 2.9881 3.2551 3.2551 3.4880 3.4880 3.9343 3.9343 3.9859 3.9859 4.3160 4.3160 4.3990 4.3990 5.1260 5.1260 5.3239 5.3239 5.4328 5.4328 5.6133 5.6133 12.5078 12.5078 13.1801 13.1801 13.6361 13.6361 14.3029 14.3029 14.6010 14.6010 k = 0.2308-0.0000-0.0000 ( 3487 PWs) bands (ev): -16.2140 -16.2140 -15.7156 -15.7156 -15.1225 -15.1225 -15.0774 -15.0774 -14.7128 -14.7128 -14.2405 -14.2405 0.8910 0.8910 1.0254 1.0254 1.1714 1.1714 1.8379 1.8379 1.8594 1.8594 2.3806 2.3806 2.5078 2.5078 3.0060 3.0060 3.2974 3.2974 3.5039 3.5039 3.8611 3.8611 4.0069 4.0069 4.3056 4.3056 4.4367 4.4367 5.1427 5.1427 5.3174 5.3174 5.4336 5.4336 5.6133 5.6133 12.4825 12.4825 13.2025 13.2025 13.6191 13.6191 14.2591 14.2591 14.5758 14.5758 k = 0.2436-0.0000-0.0000 ( 3485 PWs) bands (ev): -16.1835 -16.1835 -15.7016 -15.7016 -15.1310 -15.1310 -15.0869 -15.0869 -14.7088 -14.7088 -14.2545 -14.2545 0.9366 0.9366 1.0448 1.0448 1.1588 1.1588 1.8227 1.8227 1.8866 1.8866 2.3493 2.3493 2.4962 2.4962 3.0207 3.0207 3.3396 3.3396 3.5175 3.5175 3.7885 3.7885 4.0292 4.0292 4.2955 4.2955 4.4728 4.4728 5.1596 5.1596 5.3110 5.3110 5.4348 5.4348 5.6133 5.6133 12.4623 12.4623 13.2247 13.2247 13.6021 13.6021 14.2166 14.2166 14.5438 14.5438 k = 0.2564-0.0000-0.0000 ( 3485 PWs) bands (ev): -16.1524 -16.1524 -15.6878 -15.6878 -15.1394 -15.1394 -15.0964 -15.0964 -14.7044 -14.7044 -14.2687 -14.2687 0.9833 0.9833 1.0654 1.0654 1.1492 1.1492 1.7984 1.7984 1.9227 1.9227 2.3170 2.3170 2.4866 2.4866 3.0319 3.0319 3.3793 3.3793 3.5282 3.5282 3.7190 3.7190 4.0525 4.0525 4.2866 4.2866 4.5063 4.5063 5.1766 5.1766 5.3047 5.3047 5.4364 5.4364 5.6130 5.6130 12.4473 12.4473 13.2462 13.2462 13.5855 13.5855 14.1756 14.1756 14.5068 14.5068 k = 0.2692-0.0000-0.0000 ( 3493 PWs) bands (ev): -16.1209 -16.1209 -15.6746 -15.6746 -15.1478 -15.1478 -15.1059 -15.1059 -14.6997 -14.6997 -14.2833 -14.2833 1.0307 1.0307 1.0876 1.0876 1.1425 1.1425 1.7756 1.7756 1.9557 1.9557 2.2840 2.2840 2.4800 2.4800 3.0396 3.0396 3.4109 3.4109 3.5357 3.5357 3.6589 3.6589 4.0768 4.0768 4.2792 4.2792 4.5367 4.5367 5.1935 5.1935 5.2988 5.2988 5.4384 5.4384 5.6126 5.6126 12.4377 12.4377 13.2669 13.2669 13.5696 13.5696 14.1364 14.1364 14.4659 14.4659 k = 0.2821-0.0000-0.0000 ( 3485 PWs) bands (ev): -16.0891 -16.0891 -15.6619 -15.6619 -15.1560 -15.1560 -15.1153 -15.1153 -14.6947 -14.6947 -14.2982 -14.2982 1.0779 1.0779 1.1117 1.1117 1.1390 1.1390 1.7549 1.7549 1.9839 1.9839 2.2503 2.2503 2.4777 2.4777 3.0436 3.0436 3.4196 3.4196 3.5400 3.5400 3.6227 3.6227 4.1017 4.1017 4.2737 4.2737 4.5639 4.5639 5.2102 5.2102 5.2931 5.2932 5.4410 5.4410 5.6120 5.6120 12.4335 12.4335 13.2864 13.2864 13.5546 13.5546 14.0991 14.0991 14.4215 14.4215 k = 0.2949-0.0000-0.0000 ( 3477 PWs) bands (ev): -16.0572 -16.0572 -15.6500 -15.6500 -15.1639 -15.1639 -15.1247 -15.1247 -14.6892 -14.6892 -14.3132 -14.3132 1.1217 1.1217 1.1383 1.1383 1.1409 1.1409 1.7364 1.7364 2.0055 2.0055 2.2162 2.2162 2.4814 2.4814 3.0440 3.0440 3.3900 3.3900 3.5417 3.5417 3.6254 3.6254 4.1271 4.1271 4.2703 4.2703 4.5875 4.5875 5.2264 5.2264 5.2880 5.2880 5.4440 5.4440 5.6111 5.6111 12.4348 12.4348 13.3043 13.3043 13.5408 13.5408 14.0641 14.0641 14.3743 14.3743 k = 0.3077-0.0000-0.0000 ( 3481 PWs) bands (ev): -16.0253 -16.0253 -15.6390 -15.6390 -15.1717 -15.1717 -15.1339 -15.1339 -14.6835 -14.6835 -14.3285 -14.3285 1.1414 1.1414 1.1545 1.1545 1.1816 1.1816 1.7201 1.7201 2.0192 2.0192 2.1818 2.1818 2.4920 2.4920 3.0407 3.0407 3.3343 3.3343 3.5390 3.5390 3.6567 3.6567 4.1526 4.1526 4.2692 4.2692 4.6073 4.6073 5.2419 5.2419 5.2834 5.2834 5.4475 5.4475 5.6098 5.6098 12.4416 12.4416 13.3204 13.3204 13.5285 13.5285 14.0312 14.0312 14.3246 14.3246 k = 0.3205-0.0000-0.0000 ( 3475 PWs) bands (ev): -15.9937 -15.9937 -15.6290 -15.6290 -15.1790 -15.1790 -15.1429 -15.1429 -14.6773 -14.6773 -14.3438 -14.3438 1.1474 1.1474 1.1826 1.1826 1.2279 1.2279 1.7063 1.7063 2.0244 2.0244 2.1472 2.1472 2.5102 2.5102 3.0335 3.0335 3.2691 3.2691 3.5317 3.5317 3.7007 3.7007 4.1781 4.1781 4.2703 4.2703 4.6230 4.6230 5.2566 5.2566 5.2796 5.2796 5.4514 5.4514 5.6082 5.6082 12.4539 12.4539 13.3341 13.3341 13.5178 13.5178 14.0007 14.0007 14.2729 14.2729 k = 0.3333-0.0000-0.0000 ( 3471 PWs) bands (ev): -15.9623 -15.9623 -15.6201 -15.6201 -15.1860 -15.1860 -15.1517 -15.1517 -14.6708 -14.6708 -14.3592 -14.3592 1.1567 1.1567 1.2108 1.2108 1.2742 1.2742 1.6949 1.6949 2.0214 2.0214 2.1126 2.1126 2.5357 2.5357 3.0224 3.0224 3.2021 3.2021 3.5202 3.5202 3.7501 3.7501 4.2031 4.2031 4.2734 4.2734 4.6347 4.6347 5.2697 5.2697 5.2771 5.2771 5.4558 5.4558 5.6063 5.6063 12.4715 12.4716 13.3452 13.3452 13.5090 13.5090 13.9724 13.9724 14.2198 14.2198 k = 0.3462-0.0000-0.0000 ( 3471 PWs) bands (ev): -15.9315 -15.9315 -15.6125 -15.6125 -15.1925 -15.1925 -15.1601 -15.1601 -14.6638 -14.6638 -14.3747 -14.3747 1.1690 1.1690 1.2397 1.2397 1.3191 1.3191 1.6861 1.6861 2.0111 2.0111 2.0781 2.0781 2.5673 2.5673 3.0068 3.0068 3.1371 3.1371 3.5047 3.5047 3.8021 3.8021 4.2274 4.2274 4.2785 4.2785 4.6421 4.6421 5.2734 5.2734 5.2839 5.2839 5.4607 5.4607 5.6038 5.6038 12.4944 12.4944 13.3531 13.3531 13.5022 13.5022 13.9462 13.9462 14.1661 14.1661 k = 0.3590-0.0000-0.0000 ( 3469 PWs) bands (ev): -15.9013 -15.9013 -15.6062 -15.6062 -15.1986 -15.1986 -15.1682 -15.1682 -14.6565 -14.6565 -14.3901 -14.3901 1.1844 1.1844 1.2696 1.2696 1.3617 1.3617 1.6797 1.6797 1.9947 1.9947 2.0439 2.0439 2.6039 2.6039 2.9854 2.9854 3.0773 3.0773 3.4855 3.4855 3.8556 3.8556 4.2507 4.2507 4.2852 4.2852 4.6451 4.6451 5.2725 5.2725 5.2949 5.2949 5.4660 5.4660 5.6010 5.6010 12.5223 12.5223 13.3575 13.3575 13.4976 13.4976 13.9218 13.9218 14.1127 14.1127 k = 0.3718-0.0000-0.0000 ( 3453 PWs) bands (ev): -15.8718 -15.8718 -15.6014 -15.6014 -15.2041 -15.2041 -15.1760 -15.1760 -14.6487 -14.6487 -14.4054 -14.4054 1.2028 1.2028 1.3003 1.3003 1.4013 1.4013 1.6759 1.6759 1.9735 1.9735 2.0102 2.0102 2.6441 2.6441 2.9556 2.9556 3.0270 3.0270 3.4627 3.4627 3.9097 3.9097 4.2725 4.2725 4.2932 4.2932 4.6439 4.6439 5.2724 5.2724 5.3048 5.3048 5.4716 5.4716 5.5976 5.5976 12.5551 12.5551 13.3579 13.3579 13.4953 13.4953 13.8982 13.8982 14.0614 14.0614 k = 0.3846-0.0000-0.0000 ( 3459 PWs) bands (ev): -15.8434 -15.8434 -15.5981 -15.5981 -15.2091 -15.2091 -15.1833 -15.1833 -14.6405 -14.6405 -14.4206 -14.4206 1.2239 1.2239 1.3320 1.3320 1.4370 1.4370 1.6746 1.6746 1.9484 1.9484 1.9772 1.9772 2.6869 2.6869 2.9163 2.9163 2.9885 2.9885 3.4368 3.4368 3.9640 3.9640 4.2927 4.2927 4.3022 4.3022 4.6383 4.6383 5.2734 5.2734 5.3132 5.3132 5.4776 5.4776 5.5938 5.5938 12.5924 12.5924 13.3538 13.3538 13.4951 13.4951 13.8738 13.8738 14.0145 14.0145 k = 0.3974-0.0000-0.0000 ( 3459 PWs) bands (ev): -15.8159 -15.8159 -15.5965 -15.5965 -15.2134 -15.2134 -15.1901 -15.1901 -14.6318 -14.6318 -14.4357 -14.4357 1.2475 1.2475 1.3644 1.3644 1.4678 1.4678 1.6757 1.6757 1.9205 1.9205 1.9450 1.9450 2.7313 2.7313 2.8733 2.8733 2.9577 2.9577 3.4080 3.4080 4.0181 4.0181 4.3102 4.3102 4.3125 4.3125 4.6285 4.6285 5.2754 5.2754 5.3199 5.3199 5.4839 5.4839 5.5894 5.5894 12.6339 12.6339 13.3448 13.3448 13.4972 13.4972 13.8461 13.8461 13.9756 13.9756 k = 0.4103-0.0000-0.0000 ( 3457 PWs) bands (ev): -15.7897 -15.7897 -15.5966 -15.5966 -15.2171 -15.2171 -15.1964 -15.1964 -14.6227 -14.6227 -14.4505 -14.4505 1.2734 1.2734 1.3977 1.3977 1.4930 1.4930 1.6791 1.6791 1.8902 1.8902 1.9140 1.9140 2.7764 2.7764 2.8330 2.8330 2.9300 2.9300 3.3766 3.3766 4.0717 4.0717 4.3212 4.3212 4.3273 4.3273 4.6144 4.6144 5.2785 5.2785 5.3250 5.3250 5.4905 5.4905 5.5846 5.5846 12.6792 12.6792 13.3303 13.3303 13.5013 13.5013 13.8133 13.8133 13.9478 13.9478 k = 0.4231-0.0000-0.0000 ( 3457 PWs) bands (ev): -15.7648 -15.7648 -15.5984 -15.5984 -15.2202 -15.2202 -15.2022 -15.2022 -14.6132 -14.6132 -14.4652 -14.4652 1.3011 1.3011 1.4316 1.4316 1.5119 1.5119 1.6845 1.6845 1.8581 1.8581 1.8845 1.8845 2.7979 2.7979 2.8211 2.8211 2.9046 2.9046 3.3428 3.3428 4.1245 4.1245 4.3309 4.3309 4.3410 4.3410 4.5963 4.5963 5.2826 5.2826 5.3284 5.3284 5.4973 5.4973 5.5793 5.5793 12.7279 12.7279 13.3097 13.3097 13.5076 13.5076 13.7762 13.7762 13.9310 13.9310 k = 0.4359-0.0000-0.0000 ( 3454 PWs) bands (ev): -15.7413 -15.7413 -15.6021 -15.6021 -15.2226 -15.2226 -15.2074 -15.2074 -14.6032 -14.6032 -14.4796 -14.4796 1.3304 1.3304 1.4661 1.4661 1.5239 1.5239 1.6915 1.6915 1.8247 1.8247 1.8566 1.8566 2.7711 2.7711 2.8524 2.8524 2.8923 2.8923 3.3069 3.3069 4.1761 4.1761 4.3402 4.3402 4.3523 4.3523 4.5742 4.5742 5.2875 5.2875 5.3301 5.3301 5.5042 5.5042 5.5736 5.5736 12.7796 12.7796 13.2825 13.2825 13.5160 13.5160 13.7379 13.7379 13.9235 13.9235 k = 0.4487-0.0000-0.0000 ( 3454 PWs) bands (ev): -15.7194 -15.7194 -15.6076 -15.6076 -15.2243 -15.2243 -15.2120 -15.2120 -14.5927 -14.5927 -14.4936 -14.4936 1.3606 1.3606 1.5004 1.5004 1.5292 1.5292 1.7000 1.7000 1.7903 1.7903 1.8308 1.8308 2.7524 2.7524 2.8399 2.8399 2.9246 2.9246 3.2691 3.2691 4.2263 4.2263 4.3486 4.3486 4.3611 4.3611 4.5483 4.5483 5.2931 5.2931 5.3302 5.3302 5.5114 5.5114 5.5675 5.5675 12.8336 12.8336 13.2487 13.2487 13.5264 13.5264 13.7014 13.7014 13.9231 13.9231 k = 0.4615-0.0000-0.0000 ( 3458 PWs) bands (ev): -15.6991 -15.6991 -15.6150 -15.6150 -15.2253 -15.2253 -15.2160 -15.2160 -14.5818 -14.5818 -14.5074 -14.5074 1.3911 1.3911 1.5216 1.5216 1.5406 1.5406 1.7099 1.7099 1.7551 1.7551 1.8072 1.8072 2.7420 2.7420 2.8164 2.8164 2.9688 2.9688 3.2297 3.2297 4.2745 4.2745 4.3560 4.3560 4.3676 4.3676 4.5188 4.5188 5.2991 5.2991 5.3287 5.3287 5.5186 5.5186 5.5611 5.5611 12.8892 12.8892 13.2085 13.2085 13.5389 13.5389 13.6681 13.6681 13.9288 13.9288 k = 0.4744-0.0000-0.0000 ( 3456 PWs) bands (ev): -15.6805 -15.6805 -15.6243 -15.6243 -15.2255 -15.2255 -15.2193 -15.2193 -14.5705 -14.5705 -14.5208 -14.5208 1.4210 1.4210 1.5134 1.5134 1.5746 1.5746 1.7173 1.7173 1.7235 1.7235 1.7860 1.7860 2.7398 2.7398 2.7934 2.7934 3.0140 3.0140 3.1888 3.1888 4.3201 4.3201 4.3621 4.3621 4.3724 4.3724 4.4859 4.4859 5.3053 5.3053 5.3259 5.3259 5.5259 5.5259 5.5544 5.5544 12.9459 12.9459 13.1626 13.1626 13.5536 13.5536 13.6385 13.6385 13.9400 13.9400 k = 0.4872-0.0000-0.0000 ( 3450 PWs) bands (ev): -15.6637 -15.6637 -15.6355 -15.6355 -15.2250 -15.2250 -15.2219 -15.2219 -14.5587 -14.5587 -14.5338 -14.5338 1.4495 1.4495 1.4971 1.4971 1.6105 1.6105 1.6829 1.6829 1.7350 1.7350 1.7669 1.7669 2.7449 2.7449 2.7729 2.7729 3.0590 3.0590 3.1466 3.1466 4.3575 4.3575 4.3664 4.3664 4.3807 4.3807 4.4502 4.4502 5.3113 5.3113 5.3219 5.3219 5.5331 5.5331 5.5474 5.5474 13.0026 13.0026 13.1121 13.1121 13.5706 13.5706 13.6127 13.6127 13.9564 13.9564 k = 0.5000-0.0000-0.0000 ( 3442 PWs) bands (ev): -15.6487 -15.6487 -15.6487 -15.6487 -15.2238 -15.2238 -15.2238 -15.2238 -14.5465 -14.5465 -14.5465 -14.5465 1.4753 1.4753 1.4753 1.4753 1.6467 1.6467 1.6467 1.6467 1.7500 1.7500 1.7500 1.7500 2.7563 2.7563 2.7563 2.7563 3.1033 3.1033 3.1033 3.1033 4.3674 4.3674 4.3674 4.3674 4.4124 4.4124 4.4124 4.4124 5.3170 5.3170 5.3170 5.3170 5.5403 5.5403 5.5403 5.5403 13.0584 13.0584 13.0584 13.0584 13.5902 13.5902 13.5902 13.5902 13.9781 13.9781 k = 0.5000-0.0000-0.0000 ( 3442 PWs) bands (ev): -15.6487 -15.6487 -15.6487 -15.6487 -15.2238 -15.2238 -15.2238 -15.2238 -14.5465 -14.5465 -14.5465 -14.5465 1.4753 1.4753 1.4753 1.4753 1.6467 1.6467 1.6467 1.6467 1.7500 1.7500 1.7500 1.7500 2.7563 2.7563 2.7563 2.7563 3.1033 3.1033 3.1033 3.1033 4.3674 4.3674 4.3674 4.3674 4.4124 4.4124 4.4124 4.4124 5.3170 5.3170 5.3170 5.3170 5.5403 5.5403 5.5403 5.5403 13.0584 13.0584 13.0584 13.0584 13.5902 13.5902 13.5902 13.5902 13.9781 13.9781 k = 0.5000 0.0126-0.0000 ( 3446 PWs) bands (ev): -15.6482 -15.6482 -15.6482 -15.6482 -15.2241 -15.2241 -15.2241 -15.2241 -14.5466 -14.5466 -14.5466 -14.5466 1.4705 1.4705 1.4705 1.4705 1.6476 1.6476 1.6476 1.6476 1.7565 1.7565 1.7565 1.7565 2.7561 2.7561 2.7561 2.7561 3.1043 3.1043 3.1043 3.1043 4.3671 4.3671 4.3671 4.3671 4.4119 4.4119 4.4119 4.4119 5.3166 5.3166 5.3166 5.3166 5.5390 5.5390 5.5390 5.5390 13.0581 13.0581 13.0581 13.0581 13.5915 13.5915 13.5915 13.5915 13.9754 13.9754 k = 0.5000 0.0253-0.0000 ( 3454 PWs) bands (ev): -15.6467 -15.6467 -15.6467 -15.6467 -15.2249 -15.2249 -15.2249 -15.2249 -14.5470 -14.5470 -14.5470 -14.5470 1.4574 1.4574 1.4574 1.4574 1.6504 1.6504 1.6504 1.6504 1.7745 1.7745 1.7745 1.7745 2.7554 2.7554 2.7554 2.7554 3.1073 3.1073 3.1073 3.1073 4.3663 4.3663 4.3663 4.3663 4.4104 4.4104 4.4104 4.4104 5.3157 5.3157 5.3157 5.3157 5.5351 5.5351 5.5351 5.5351 13.0571 13.0571 13.0571 13.0571 13.5955 13.5955 13.5955 13.5955 13.9675 13.9675 k = 0.5000 0.0379-0.0000 ( 3458 PWs) bands (ev): -15.6444 -15.6444 -15.6444 -15.6444 -15.2263 -15.2263 -15.2263 -15.2263 -14.5476 -14.5476 -14.5476 -14.5476 1.4386 1.4386 1.4386 1.4386 1.6550 1.6550 1.6550 1.6550 1.8015 1.8015 1.8015 1.8015 2.7542 2.7542 2.7542 2.7542 3.1123 3.1123 3.1123 3.1123 4.3650 4.3650 4.3650 4.3650 4.4080 4.4080 4.4080 4.4080 5.3141 5.3141 5.3141 5.3141 5.5286 5.5286 5.5286 5.5286 13.0556 13.0556 13.0556 13.0556 13.6020 13.6020 13.6020 13.6020 13.9546 13.9546 k = 0.5000 0.0506-0.0000 ( 3458 PWs) bands (ev): -15.6410 -15.6410 -15.6410 -15.6410 -15.2282 -15.2282 -15.2282 -15.2282 -14.5484 -14.5484 -14.5484 -14.5484 1.4168 1.4168 1.4168 1.4168 1.6616 1.6616 1.6616 1.6616 1.8346 1.8346 1.8346 1.8346 2.7526 2.7526 2.7526 2.7526 3.1193 3.1193 3.1193 3.1193 4.3631 4.3631 4.3631 4.3631 4.4045 4.4045 4.4045 4.4045 5.3120 5.3120 5.3120 5.3120 5.5197 5.5197 5.5197 5.5197 13.0535 13.0535 13.0535 13.0535 13.6105 13.6105 13.6105 13.6105 13.9370 13.9370 k = 0.5000 0.0632-0.0000 ( 3458 PWs) bands (ev): -15.6368 -15.6368 -15.6368 -15.6368 -15.2307 -15.2307 -15.2307 -15.2307 -14.5495 -14.5495 -14.5495 -14.5495 1.3938 1.3938 1.3938 1.3938 1.6700 1.6700 1.6700 1.6700 1.8721 1.8721 1.8721 1.8721 2.7504 2.7504 2.7504 2.7504 3.1282 3.1282 3.1282 3.1282 4.3607 4.3607 4.3607 4.3607 4.4001 4.4001 4.4001 4.4001 5.3092 5.3092 5.3092 5.3092 5.5086 5.5086 5.5086 5.5086 13.0508 13.0508 13.0508 13.0508 13.6206 13.6206 13.6206 13.6206 13.9154 13.9154 k = 0.5000 0.0759-0.0000 ( 3458 PWs) bands (ev): -15.6316 -15.6316 -15.6316 -15.6316 -15.2336 -15.2336 -15.2336 -15.2336 -14.5508 -14.5508 -14.5508 -14.5508 1.3707 1.3707 1.3707 1.3707 1.6801 1.6801 1.6801 1.6801 1.9126 1.9126 1.9126 1.9126 2.7477 2.7477 2.7477 2.7477 3.1392 3.1392 3.1392 3.1392 4.3577 4.3577 4.3577 4.3577 4.3946 4.3946 4.3946 4.3946 5.3058 5.3058 5.3058 5.3058 5.4953 5.4953 5.4953 5.4953 13.0477 13.0477 13.0477 13.0477 13.6312 13.6312 13.6312 13.6312 13.8910 13.8910 k = 0.5000 0.0885-0.0000 ( 3458 PWs) bands (ev): -15.6256 -15.6256 -15.6256 -15.6256 -15.2370 -15.2370 -15.2370 -15.2370 -14.5523 -14.5523 -14.5523 -14.5523 1.3485 1.3485 1.3485 1.3485 1.6919 1.6919 1.6919 1.6919 1.9551 1.9551 1.9551 1.9551 2.7446 2.7446 2.7446 2.7446 3.1521 3.1521 3.1521 3.1521 4.3541 4.3541 4.3541 4.3541 4.3881 4.3881 4.3881 4.3881 5.3019 5.3019 5.3019 5.3019 5.4803 5.4803 5.4803 5.4803 13.0442 13.0442 13.0442 13.0442 13.6406 13.6406 13.6406 13.6406 13.8654 13.8654 k = 0.5000 0.1012-0.0000 ( 3460 PWs) bands (ev): -15.6188 -15.6188 -15.6188 -15.6188 -15.2409 -15.2409 -15.2409 -15.2409 -14.5541 -14.5541 -14.5541 -14.5541 1.3276 1.3276 1.3276 1.3276 1.7053 1.7053 1.7053 1.7053 1.9992 1.9992 1.9992 1.9992 2.7408 2.7408 2.7408 2.7408 3.1670 3.1670 3.1670 3.1670 4.3497 4.3497 4.3497 4.3497 4.3807 4.3807 4.3807 4.3807 5.2974 5.2974 5.2974 5.2974 5.4636 5.4636 5.4636 5.4636 13.0402 13.0402 13.0402 13.0402 13.6459 13.6459 13.6459 13.6459 13.8417 13.8417 k = 0.5000 0.1138-0.0000 ( 3456 PWs) bands (ev): -15.6111 -15.6111 -15.6111 -15.6111 -15.2452 -15.2452 -15.2452 -15.2452 -14.5561 -14.5561 -14.5561 -14.5561 1.3083 1.3083 1.3083 1.3083 1.7201 1.7201 1.7201 1.7201 2.0443 2.0443 2.0443 2.0443 2.7365 2.7365 2.7365 2.7365 3.1838 3.1838 3.1838 3.1838 4.3446 4.3446 4.3446 4.3446 4.3723 4.3723 4.3723 4.3723 5.2924 5.2924 5.2924 5.2924 5.4457 5.4457 5.4457 5.4457 13.0358 13.0358 13.0358 13.0358 13.6423 13.6423 13.6423 13.6423 13.8248 13.8248 k = 0.5000 0.1265-0.0000 ( 3456 PWs) bands (ev): -15.6027 -15.6027 -15.6027 -15.6027 -15.2499 -15.2499 -15.2499 -15.2499 -14.5583 -14.5583 -14.5583 -14.5583 1.2909 1.2909 1.2909 1.2909 1.7363 1.7363 1.7363 1.7363 2.0899 2.0899 2.0899 2.0899 2.7317 2.7317 2.7317 2.7317 3.2024 3.2024 3.2024 3.2024 4.3383 4.3383 4.3383 4.3383 4.3634 4.3634 4.3634 4.3634 5.2869 5.2869 5.2869 5.2869 5.4268 5.4268 5.4268 5.4268 13.0310 13.0310 13.0310 13.0310 13.6255 13.6255 13.6255 13.6255 13.8192 13.8192 k = 0.5000 0.1391-0.0000 ( 3458 PWs) bands (ev): -15.5936 -15.5936 -15.5936 -15.5936 -15.2550 -15.2550 -15.2550 -15.2550 -14.5607 -14.5607 -14.5607 -14.5607 1.2756 1.2756 1.2756 1.2756 1.7536 1.7536 1.7536 1.7536 2.1358 2.1358 2.1358 2.1358 2.7263 2.7263 2.7263 2.7263 3.2229 3.2229 3.2229 3.2229 4.3305 4.3305 4.3305 4.3305 4.3541 4.3541 4.3541 4.3541 5.2810 5.2810 5.2810 5.2810 5.4073 5.4073 5.4073 5.4073 13.0258 13.0258 13.0258 13.0258 13.5950 13.5950 13.5950 13.5950 13.8252 13.8252 k = 0.5000 0.1518-0.0000 ( 3460 PWs) bands (ev): -15.5839 -15.5839 -15.5839 -15.5839 -15.2604 -15.2604 -15.2604 -15.2604 -14.5633 -14.5633 -14.5633 -14.5633 1.2625 1.2625 1.2626 1.2626 1.7721 1.7721 1.7721 1.7721 2.1815 2.1815 2.1815 2.1815 2.7203 2.7203 2.7203 2.7203 3.2451 3.2451 3.2451 3.2451 4.3207 4.3207 4.3207 4.3207 4.3450 4.3450 4.3450 4.3450 5.2745 5.2745 5.2745 5.2745 5.3876 5.3876 5.3876 5.3876 13.0203 13.0203 13.0203 13.0203 13.5543 13.5543 13.5543 13.5543 13.8397 13.8397 k = 0.5000 0.1644-0.0000 ( 3466 PWs) bands (ev): -15.5736 -15.5736 -15.5736 -15.5736 -15.2661 -15.2661 -15.2661 -15.2661 -14.5661 -14.5661 -14.5661 -14.5661 1.2518 1.2518 1.2518 1.2518 1.7915 1.7915 1.7915 1.7915 2.2267 2.2267 2.2267 2.2267 2.7139 2.7139 2.7139 2.7139 3.2690 3.2690 3.2690 3.2690 4.3086 4.3086 4.3086 4.3086 4.3365 4.3365 4.3365 4.3365 5.2677 5.2677 5.2677 5.2677 5.3679 5.3679 5.3679 5.3679 13.0143 13.0143 13.0143 13.0143 13.5069 13.5069 13.5069 13.5069 13.8592 13.8592 k = 0.5000 0.1771-0.0000 ( 3462 PWs) bands (ev): -15.5627 -15.5627 -15.5627 -15.5627 -15.2721 -15.2721 -15.2721 -15.2721 -14.5691 -14.5691 -14.5691 -14.5691 1.2434 1.2434 1.2434 1.2434 1.8117 1.8117 1.8117 1.8117 2.2710 2.2710 2.2710 2.2710 2.7072 2.7072 2.7072 2.7072 3.2945 3.2945 3.2945 3.2945 4.2943 4.2943 4.2943 4.2943 4.3284 4.3284 4.3284 4.3284 5.2605 5.2605 5.2605 5.2605 5.3486 5.3486 5.3486 5.3486 13.0079 13.0079 13.0079 13.0079 13.4550 13.4550 13.4550 13.4550 13.8817 13.8817 k = 0.5000 0.1897-0.0000 ( 3476 PWs) bands (ev): -15.5514 -15.5514 -15.5514 -15.5514 -15.2782 -15.2782 -15.2782 -15.2782 -14.5723 -14.5723 -14.5723 -14.5723 1.2374 1.2374 1.2374 1.2374 1.8325 1.8325 1.8325 1.8325 2.3138 2.3138 2.3138 2.3138 2.7002 2.7002 2.7002 2.7002 3.3215 3.3215 3.3215 3.3215 4.2780 4.2780 4.2780 4.2780 4.3205 4.3205 4.3205 4.3205 5.2529 5.2529 5.2529 5.2529 5.3300 5.3300 5.3300 5.3300 13.0011 13.0011 13.0011 13.0011 13.4001 13.4001 13.4001 13.4001 13.9059 13.9059 k = 0.5000 0.2024-0.0000 ( 3484 PWs) bands (ev): -15.5397 -15.5397 -15.5397 -15.5397 -15.2846 -15.2846 -15.2846 -15.2846 -14.5756 -14.5756 -14.5756 -14.5756 1.2339 1.2339 1.2339 1.2339 1.8538 1.8538 1.8538 1.8538 2.3545 2.3545 2.3545 2.3545 2.6935 2.6935 2.6935 2.6935 3.3499 3.3499 3.3499 3.3499 4.2602 4.2602 4.2602 4.2602 4.3126 4.3126 4.3126 4.3126 5.2450 5.2450 5.2450 5.2450 5.3124 5.3124 5.3124 5.3124 12.9939 12.9939 12.9939 12.9939 13.3430 13.3430 13.3430 13.3430 13.9309 13.9309 k = 0.5000 0.2150-0.0000 ( 3494 PWs) bands (ev): -15.5277 -15.5277 -15.5277 -15.5277 -15.2910 -15.2910 -15.2910 -15.2910 -14.5791 -14.5791 -14.5791 -14.5791 1.2328 1.2328 1.2328 1.2328 1.8754 1.8754 1.8754 1.8754 2.3923 2.3923 2.3923 2.3923 2.6875 2.6875 2.6875 2.6875 3.3795 3.3795 3.3795 3.3795 4.2410 4.2410 4.2410 4.2410 4.3046 4.3046 4.3046 4.3046 5.2369 5.2369 5.2369 5.2369 5.2959 5.2959 5.2959 5.2959 12.9861 12.9861 12.9861 12.9861 13.2846 13.2846 13.2846 13.2846 13.9563 13.9563 k = 0.5000 0.2277-0.0000 ( 3502 PWs) bands (ev): -15.5155 -15.5155 -15.5155 -15.5155 -15.2975 -15.2975 -15.2975 -15.2975 -14.5827 -14.5827 -14.5827 -14.5827 1.2342 1.2342 1.2342 1.2342 1.8972 1.8972 1.8972 1.8972 2.4260 2.4260 2.4260 2.4260 2.6832 2.6832 2.6832 2.6832 3.4102 3.4102 3.4102 3.4102 4.2208 4.2208 4.2208 4.2208 4.2965 4.2965 4.2965 4.2965 5.2286 5.2286 5.2286 5.2286 5.2807 5.2807 5.2807 5.2807 12.9778 12.9778 12.9778 12.9778 13.2254 13.2254 13.2254 13.2254 13.9816 13.9816 k = 0.5000 0.2403-0.0000 ( 3510 PWs) bands (ev): -15.5030 -15.5030 -15.5030 -15.5030 -15.3041 -15.3041 -15.3041 -15.3041 -14.5864 -14.5864 -14.5864 -14.5864 1.2379 1.2379 1.2379 1.2379 1.9190 1.9190 1.9190 1.9190 2.4540 2.4540 2.4540 2.4540 2.6819 2.6819 2.6819 2.6819 3.4418 3.4418 3.4418 3.4418 4.1996 4.1996 4.1996 4.1996 4.2883 4.2883 4.2883 4.2883 5.2203 5.2203 5.2203 5.2203 5.2669 5.2669 5.2669 5.2669 12.9688 12.9688 12.9688 12.9688 13.1662 13.1662 13.1662 13.1662 14.0065 14.0065 k = 0.5000 0.2530-0.0000 ( 3518 PWs) bands (ev): -15.4905 -15.4905 -15.4905 -15.4905 -15.3106 -15.3106 -15.3106 -15.3106 -14.5902 -14.5902 -14.5902 -14.5902 1.2441 1.2441 1.2441 1.2441 1.9407 1.9407 1.9407 1.9407 2.4744 2.4744 2.4744 2.4744 2.6853 2.6853 2.6853 2.6853 3.4741 3.4741 3.4741 3.4741 4.1779 4.1779 4.1779 4.1779 4.2799 4.2799 4.2799 4.2799 5.2122 5.2122 5.2122 5.2122 5.2544 5.2544 5.2544 5.2544 12.9588 12.9588 12.9588 12.9588 13.1076 13.1076 13.1076 13.1076 14.0309 14.0309 k = 0.5000 0.2656-0.0000 ( 3518 PWs) bands (ev): -15.4780 -15.4780 -15.4780 -15.4780 -15.3171 -15.3171 -15.3171 -15.3171 -14.5941 -14.5941 -14.5941 -14.5941 1.2525 1.2525 1.2525 1.2525 1.9621 1.9621 1.9621 1.9621 2.4857 2.4857 2.4857 2.4857 2.6948 2.6948 2.6948 2.6948 3.5070 3.5070 3.5070 3.5070 4.1558 4.1558 4.1558 4.1558 4.2714 4.2714 4.2714 4.2714 5.2043 5.2043 5.2043 5.2043 5.2432 5.2432 5.2432 5.2432 12.9470 12.9470 12.9470 12.9470 13.0511 13.0511 13.0511 13.0511 14.0545 14.0545 k = 0.5000 0.2783-0.0000 ( 3510 PWs) bands (ev): -15.4655 -15.4655 -15.4655 -15.4655 -15.3234 -15.3234 -15.3234 -15.3234 -14.5980 -14.5980 -14.5980 -14.5980 1.2632 1.2632 1.2632 1.2632 1.9831 1.9831 1.9831 1.9831 2.4878 2.4878 2.4878 2.4878 2.7102 2.7102 2.7102 2.7102 3.5401 3.5401 3.5401 3.5401 4.1337 4.1337 4.1337 4.1337 4.2629 4.2629 4.2629 4.2629 5.1968 5.1968 5.1968 5.1968 5.2332 5.2332 5.2332 5.2332 12.9305 12.9305 12.9305 12.9305 12.9999 12.9999 12.9999 12.9999 14.0772 14.0773 k = 0.5000 0.2909-0.0000 ( 3506 PWs) bands (ev): -15.4533 -15.4533 -15.4533 -15.4533 -15.3296 -15.3296 -15.3296 -15.3296 -14.6019 -14.6019 -14.6019 -14.6019 1.2759 1.2759 1.2759 1.2759 2.0035 2.0035 2.0035 2.0035 2.4821 2.4821 2.4821 2.4821 2.7301 2.7301 2.7301 2.7301 3.5733 3.5733 3.5733 3.5733 4.1117 4.1117 4.1117 4.1117 4.2544 4.2544 4.2544 4.2544 5.1897 5.1897 5.1897 5.1897 5.2244 5.2244 5.2244 5.2244 12.9011 12.9011 12.9011 12.9011 12.9626 12.9626 12.9626 12.9626 14.0990 14.0990 k = 0.5000 0.3036-0.0000 ( 3506 PWs) bands (ev): -15.4413 -15.4413 -15.4413 -15.4413 -15.3356 -15.3356 -15.3356 -15.3356 -14.6058 -14.6058 -14.6058 -14.6058 1.2907 1.2907 1.2907 1.2907 2.0231 2.0231 2.0231 2.0231 2.4706 2.4706 2.4706 2.4706 2.7524 2.7524 2.7524 2.7524 3.6062 3.6062 3.6062 3.6062 4.0903 4.0903 4.0903 4.0903 4.2460 4.2460 4.2460 4.2460 5.1831 5.1831 5.1831 5.1831 5.2168 5.2168 5.2168 5.2168 12.8567 12.8567 12.8567 12.8567 12.9419 12.9419 12.9419 12.9419 14.1196 14.1196 k = 0.5000 0.3162-0.0000 ( 3500 PWs) bands (ev): -15.4297 -15.4297 -15.4297 -15.4297 -15.3413 -15.3413 -15.3413 -15.3413 -14.6097 -14.6097 -14.6097 -14.6097 1.3072 1.3072 1.3072 1.3072 2.0419 2.0419 2.0419 2.0419 2.4548 2.4548 2.4548 2.4548 2.7756 2.7756 2.7756 2.7756 3.6387 3.6387 3.6387 3.6387 4.0697 4.0697 4.0697 4.0697 4.2378 4.2378 4.2378 4.2378 5.1767 5.1767 5.1767 5.1767 5.2103 5.2103 5.2104 5.2104 12.8070 12.8070 12.8070 12.8070 12.9284 12.9284 12.9284 12.9284 14.1390 14.1390 k = 0.5000 0.3289-0.0000 ( 3500 PWs) bands (ev): -15.4185 -15.4185 -15.4185 -15.4185 -15.3467 -15.3467 -15.3467 -15.3467 -14.6135 -14.6135 -14.6135 -14.6135 1.3254 1.3254 1.3254 1.3254 2.0596 2.0596 2.0596 2.0596 2.4360 2.4360 2.4360 2.4360 2.7984 2.7984 2.7984 2.7984 3.6703 3.6703 3.6703 3.6703 4.0500 4.0500 4.0501 4.0501 4.2298 4.2298 4.2298 4.2298 5.1704 5.1704 5.1704 5.1704 5.2052 5.2052 5.2052 5.2052 12.7574 12.7574 12.7574 12.7574 12.9174 12.9174 12.9174 12.9174 14.1572 14.1572 k = 0.5000 0.3415-0.0000 ( 3504 PWs) bands (ev): -15.4080 -15.4080 -15.4080 -15.4080 -15.3516 -15.3516 -15.3516 -15.3516 -14.6172 -14.6172 -14.6172 -14.6172 1.3450 1.3450 1.3450 1.3450 2.0761 2.0761 2.0761 2.0761 2.4151 2.4151 2.4151 2.4151 2.8203 2.8203 2.8203 2.8203 3.7009 3.7009 3.7009 3.7009 4.0316 4.0316 4.0316 4.0316 4.2222 4.2222 4.2222 4.2222 5.1642 5.1642 5.1642 5.1642 5.2013 5.2013 5.2013 5.2013 12.7095 12.7095 12.7095 12.7095 12.9074 12.9074 12.9074 12.9074 14.1741 14.1741 k = 0.5000 0.3542-0.0000 ( 3508 PWs) bands (ev): -15.3983 -15.3983 -15.3983 -15.3983 -15.3560 -15.3560 -15.3560 -15.3560 -14.6208 -14.6208 -14.6208 -14.6208 1.3656 1.3656 1.3656 1.3656 2.0912 2.0912 2.0912 2.0912 2.3929 2.3929 2.3929 2.3929 2.8406 2.8406 2.8406 2.8406 3.7300 3.7300 3.7300 3.7300 4.0146 4.0146 4.0146 4.0146 4.2149 4.2149 4.2149 4.2149 5.1581 5.1581 5.1581 5.1581 5.1986 5.1986 5.1986 5.1986 12.6642 12.6642 12.6642 12.6642 12.8982 12.8982 12.8982 12.8982 14.1896 14.1896 k = 0.5000 0.3668-0.0000 ( 3504 PWs) bands (ev): -15.3897 -15.3897 -15.3897 -15.3897 -15.3596 -15.3596 -15.3596 -15.3596 -14.6241 -14.6241 -14.6241 -14.6241 1.3871 1.3871 1.3871 1.3871 2.1048 2.1048 2.1048 2.1048 2.3700 2.3700 2.3700 2.3700 2.8593 2.8593 2.8593 2.8593 3.7575 3.7575 3.7575 3.7575 3.9992 3.9992 3.9992 3.9992 4.2081 4.2081 4.2081 4.2081 5.1521 5.1521 5.1521 5.1521 5.1969 5.1969 5.1969 5.1969 12.6220 12.6220 12.6220 12.6220 12.8896 12.8896 12.8896 12.8896 14.2038 14.2038 k = 0.5000 0.3795-0.0000 ( 3496 PWs) bands (ev): -15.3829 -15.3829 -15.3829 -15.3829 -15.3618 -15.3618 -15.3618 -15.3618 -14.6273 -14.6273 -14.6273 -14.6273 1.4089 1.4089 1.4089 1.4089 2.1165 2.1165 2.1165 2.1165 2.3471 2.3471 2.3471 2.3471 2.8760 2.8760 2.8760 2.8760 3.7829 3.7829 3.7829 3.7829 3.9854 3.9854 3.9854 3.9854 4.2020 4.2020 4.2020 4.2020 5.1463 5.1463 5.1463 5.1463 5.1961 5.1961 5.1961 5.1961 12.5833 12.5833 12.5833 12.5833 12.8817 12.8817 12.8817 12.8817 14.2166 14.2166 k = 0.5000 0.3921-0.0000 ( 3492 PWs) bands (ev): -15.3792 -15.3792 -15.3792 -15.3792 -15.3612 -15.3612 -15.3612 -15.3612 -14.6302 -14.6302 -14.6302 -14.6302 1.4306 1.4306 1.4306 1.4306 2.1262 2.1262 2.1262 2.1262 2.3251 2.3251 2.3251 2.3251 2.8908 2.8908 2.8908 2.8908 3.8060 3.8060 3.8060 3.8060 3.9733 3.9733 3.9733 3.9733 4.1964 4.1964 4.1964 4.1964 5.1409 5.1409 5.1409 5.1409 5.1959 5.1959 5.1959 5.1959 12.5483 12.5483 12.5483 12.5483 12.8745 12.8745 12.8745 12.8745 14.2280 14.2280 k = 0.5000 0.4048-0.0000 ( 3490 PWs) bands (ev): -15.3789 -15.3789 -15.3789 -15.3789 -15.3577 -15.3577 -15.3577 -15.3577 -14.6328 -14.6328 -14.6328 -14.6328 1.4517 1.4517 1.4517 1.4517 2.1334 2.1334 2.1334 2.1334 2.3049 2.3049 2.3049 2.3049 2.9035 2.9035 2.9035 2.9035 3.8264 3.8264 3.8264 3.8264 3.9630 3.9630 3.9630 3.9630 4.1915 4.1915 4.1915 4.1915 5.1359 5.1359 5.1359 5.1359 5.1961 5.1961 5.1961 5.1961 12.5175 12.5175 12.5175 12.5175 12.8680 12.8680 12.8680 12.8680 14.2379 14.2379 k = 0.5000 0.4174-0.0000 ( 3486 PWs) bands (ev): -15.3802 -15.3802 -15.3802 -15.3802 -15.3532 -15.3532 -15.3532 -15.3532 -14.6350 -14.6350 -14.6350 -14.6350 1.4715 1.4715 1.4715 1.4715 2.1381 2.1381 2.1381 2.1381 2.2872 2.2872 2.2872 2.2872 2.9142 2.9142 2.9142 2.9142 3.8440 3.8440 3.8440 3.8440 3.9545 3.9545 3.9545 3.9545 4.1874 4.1874 4.1874 4.1874 5.1314 5.1314 5.1314 5.1314 5.1966 5.1966 5.1966 5.1966 12.4910 12.4910 12.4910 12.4910 12.8624 12.8624 12.8624 12.8624 14.2463 14.2463 k = 0.5000 0.4301-0.0000 ( 3490 PWs) bands (ev): -15.3818 -15.3818 -15.3818 -15.3818 -15.3489 -15.3489 -15.3489 -15.3489 -14.6369 -14.6369 -14.6369 -14.6369 1.4893 1.4893 1.4893 1.4893 2.1400 2.1400 2.1400 2.1400 2.2730 2.2730 2.2730 2.2730 2.9229 2.9229 2.9229 2.9229 3.8584 3.8584 3.8584 3.8584 3.9477 3.9477 3.9477 3.9477 4.1840 4.1840 4.1840 4.1840 5.1276 5.1276 5.1277 5.1277 5.1972 5.1972 5.1972 5.1972 12.4690 12.4690 12.4690 12.4690 12.8577 12.8577 12.8577 12.8577 14.2533 14.2533 k = 0.5000 0.4427-0.0000 ( 3494 PWs) bands (ev): -15.3832 -15.3832 -15.3832 -15.3832 -15.3453 -15.3453 -15.3453 -15.3453 -14.6384 -14.6384 -14.6384 -14.6384 1.5043 1.5043 1.5043 1.5043 2.1397 2.1397 2.1397 2.1397 2.2626 2.2626 2.2626 2.2626 2.9296 2.9296 2.9296 2.9296 3.8696 3.8696 3.8696 3.8696 3.9428 3.9428 3.9428 3.9428 4.1814 4.1814 4.1814 4.1814 5.1246 5.1246 5.1246 5.1246 5.1978 5.1978 5.1978 5.1978 12.4517 12.4517 12.4517 12.4517 12.8540 12.8540 12.8540 12.8540 14.2587 14.2587 k = 0.5000 0.4554-0.0000 ( 3488 PWs) bands (ev): -15.3843 -15.3843 -15.3843 -15.3843 -15.3426 -15.3426 -15.3426 -15.3426 -14.6395 -14.6395 -14.6395 -14.6395 1.5157 1.5157 1.5157 1.5157 2.1381 2.1381 2.1381 2.1381 2.2558 2.2558 2.2558 2.2558 2.9344 2.9344 2.9344 2.9344 3.8774 3.8774 3.8774 3.8774 3.9395 3.9395 3.9395 3.9395 4.1796 4.1796 4.1796 4.1796 5.1224 5.1224 5.1224 5.1224 5.1983 5.1983 5.1983 5.1983 12.4392 12.4392 12.4392 12.4392 12.8513 12.8513 12.8513 12.8513 14.2626 14.2626 k = 0.5000 0.4680-0.0000 ( 3480 PWs) bands (ev): -15.3850 -15.3850 -15.3850 -15.3850 -15.3409 -15.3409 -15.3409 -15.3409 -14.6402 -14.6402 -14.6402 -14.6402 1.5229 1.5229 1.5229 1.5229 2.1365 2.1365 2.1365 2.1365 2.2522 2.2522 2.2522 2.2522 2.9372 2.9372 2.9372 2.9372 3.8820 3.8820 3.8820 3.8820 3.9377 3.9377 3.9377 3.9377 4.1785 4.1785 4.1785 4.1785 5.1210 5.1210 5.1210 5.1210 5.1987 5.1987 5.1987 5.1987 12.4317 12.4317 12.4317 12.4317 12.8496 12.8496 12.8496 12.8496 14.2649 14.2649 k = 0.5000 0.4807-0.0000 ( 3468 PWs) bands (ev): -15.3852 -15.3852 -15.3852 -15.3852 -15.3404 -15.3404 -15.3404 -15.3404 -14.6404 -14.6404 -14.6404 -14.6404 1.5253 1.5253 1.5253 1.5253 2.1358 2.1358 2.1358 2.1358 2.2510 2.2510 2.2510 2.2510 2.9382 2.9382 2.9382 2.9382 3.8835 3.8835 3.8835 3.8835 3.9371 3.9371 3.9371 3.9371 4.1781 4.1781 4.1781 4.1781 5.1206 5.1206 5.1206 5.1206 5.1988 5.1988 5.1988 5.1988 12.4292 12.4292 12.4292 12.4292 12.8491 12.8491 12.8491 12.8491 14.2657 14.2657 k = 0.5000 0.4807-0.0000 ( 3468 PWs) bands (ev): -15.3852 -15.3852 -15.3852 -15.3852 -15.3404 -15.3404 -15.3404 -15.3404 -14.6404 -14.6404 -14.6404 -14.6404 1.5253 1.5253 1.5253 1.5253 2.1358 2.1358 2.1358 2.1358 2.2510 2.2510 2.2510 2.2510 2.9382 2.9382 2.9382 2.9382 3.8835 3.8835 3.8835 3.8835 3.9371 3.9371 3.9371 3.9371 4.1781 4.1781 4.1781 4.1781 5.1206 5.1206 5.1206 5.1206 5.1988 5.1988 5.1988 5.1988 12.4292 12.4292 12.4292 12.4292 12.8491 12.8491 12.8491 12.8491 14.2657 14.2657 k = 0.4872 0.4807-0.0000 ( 3468 PWs) bands (ev): -15.3903 -15.3903 -15.3795 -15.3795 -15.3478 -15.3478 -15.3348 -15.3348 -14.6503 -14.6503 -14.6300 -14.6300 1.4932 1.4932 1.5581 1.5581 2.1273 2.1273 2.1417 2.1417 2.2423 2.2423 2.2568 2.2568 2.9182 2.9182 2.9622 2.9622 3.8514 3.8514 3.9010 3.9010 3.9173 3.9173 3.9653 3.9653 4.1724 4.1724 4.1851 4.1851 5.1138 5.1138 5.1281 5.1281 5.1988 5.1988 5.1997 5.1997 12.3771 12.3771 12.4856 12.4856 12.8055 12.8055 12.8943 12.8943 14.2437 14.2437 k = 0.4744 0.4807-0.0000 ( 3476 PWs) bands (ev): -15.3948 -15.3948 -15.3733 -15.3733 -15.3568 -15.3568 -15.3310 -15.3310 -14.6596 -14.6596 -14.6192 -14.6192 1.4620 1.4620 1.5910 1.5910 2.1166 2.1166 2.1442 2.1442 2.2303 2.2304 2.2603 2.2603 2.9026 2.9026 2.9898 2.9898 3.8142 3.8142 3.8751 3.8751 3.9347 3.9347 3.9924 3.9924 4.1678 4.1678 4.1935 4.1935 5.1076 5.1076 5.1361 5.1361 5.1997 5.1997 5.2015 5.2015 12.3298 12.3298 12.5456 12.5456 12.7642 12.7642 12.9405 12.9405 14.2227 14.2227 k = 0.4615 0.4807-0.0000 ( 3484 PWs) bands (ev): -15.3986 -15.3986 -15.3702 -15.3702 -15.3639 -15.3639 -15.3290 -15.3290 -14.6683 -14.6683 -14.6078 -14.6078 1.4323 1.4323 1.6234 1.6234 2.1038 2.1038 2.1427 2.1427 2.2156 2.2156 2.2627 2.2627 2.8912 2.8912 3.0203 3.0203 3.7725 3.7725 3.8457 3.8457 3.9499 3.9499 4.0180 4.0180 4.1641 4.1641 4.2031 4.2031 5.1021 5.1021 5.1447 5.1447 5.2014 5.2014 5.2044 5.2044 12.2878 12.2878 12.6084 12.6084 12.7257 12.7257 12.9870 12.9870 14.2030 14.2030 k = 0.4487 0.4807-0.0000 ( 3486 PWs) bands (ev): -15.4021 -15.4021 -15.3811 -15.3811 -15.3581 -15.3581 -15.3286 -15.3286 -14.6764 -14.6764 -14.5959 -14.5959 1.4041 1.4041 1.6546 1.6546 2.0890 2.0890 2.1365 2.1365 2.1992 2.1992 2.2649 2.2649 2.8837 2.8837 3.0528 3.0528 3.7266 3.7266 3.8174 3.8174 3.9591 3.9591 4.0417 4.0417 4.1611 4.1611 4.2138 4.2138 5.0973 5.0973 5.1537 5.1537 5.2036 5.2036 5.2084 5.2084 12.2515 12.2515 12.6707 12.6707 12.6931 12.6931 13.0331 13.0331 14.1854 14.1854 k = 0.4359 0.4807-0.0000 ( 3480 PWs) bands (ev): -15.4061 -15.4061 -15.3937 -15.3937 -15.3509 -15.3509 -15.3294 -15.3294 -14.6839 -14.6839 -14.5836 -14.5836 1.3779 1.3779 1.6833 1.6833 2.0720 2.0720 2.1262 2.1262 2.1823 2.1823 2.2677 2.2677 2.8792 2.8792 3.0867 3.0867 3.6771 3.6771 3.7912 3.7912 3.9624 3.9624 4.0634 4.0634 4.1589 4.1589 4.2250 4.2250 5.0932 5.0932 5.1633 5.1633 5.2063 5.2063 5.2134 5.2134 12.2213 12.2213 12.6564 12.6564 12.7421 12.7421 13.0778 13.0778 14.1704 14.1704 k = 0.4231 0.4807-0.0000 ( 3480 PWs) bands (ev): -15.4159 -15.4159 -15.4017 -15.4017 -15.3457 -15.3457 -15.3294 -15.3294 -14.6909 -14.6909 -14.5710 -14.5710 1.3536 1.3536 1.7078 1.7078 2.0533 2.0533 2.1130 2.1130 2.1655 2.1655 2.2711 2.2711 2.8767 2.8767 3.1213 3.1213 3.6244 3.6244 3.7679 3.7679 3.9601 3.9601 4.0828 4.0828 4.1572 4.1572 4.2362 4.2362 5.0900 5.0900 5.1732 5.1732 5.2094 5.2094 5.2194 5.2194 12.1974 12.1974 12.6285 12.6285 12.8092 12.8092 13.1203 13.1203 14.1590 14.1590 k = 0.4103 0.4807-0.0000 ( 3486 PWs) bands (ev): -15.4321 -15.4321 -15.4041 -15.4041 -15.3464 -15.3464 -15.3246 -15.3246 -14.6973 -14.6973 -14.5579 -14.5579 1.3316 1.3316 1.7257 1.7257 2.0345 2.0345 2.0988 2.0988 2.1489 2.1489 2.2751 2.2751 2.8752 2.8752 3.1560 3.1560 3.5689 3.5689 3.7486 3.7486 3.9526 3.9526 4.0998 4.0998 4.1562 4.1562 4.2468 4.2468 5.0875 5.0875 5.1835 5.1835 5.2125 5.2125 5.2264 5.2264 12.1802 12.1802 12.6045 12.6045 12.8765 12.8765 13.1598 13.1598 14.1519 14.1519 k = 0.3974 0.4807-0.0000 ( 3492 PWs) bands (ev): -15.4507 -15.4507 -15.4048 -15.4048 -15.3521 -15.3521 -15.3159 -15.3159 -14.7031 -14.7031 -14.5446 -14.5446 1.3119 1.3119 1.7338 1.7338 2.0189 2.0189 2.0847 2.0847 2.1324 2.1324 2.2794 2.2794 2.8738 2.8738 3.1902 3.1902 3.5110 3.5110 3.7339 3.7339 3.9404 3.9404 4.1144 4.1144 4.1557 4.1557 4.2564 4.2564 5.0859 5.0859 5.1940 5.1940 5.2157 5.2157 5.2342 5.2342 12.1697 12.1697 12.5847 12.5847 12.9424 12.9424 13.1954 13.1954 14.1501 14.1501 k = 0.3846 0.4807-0.0000 ( 3488 PWs) bands (ev): -15.4709 -15.4709 -15.4048 -15.4048 -15.3604 -15.3604 -15.3057 -15.3057 -14.7083 -14.7083 -14.5309 -14.5309 1.2946 1.2946 1.7290 1.7290 2.0100 2.0100 2.0712 2.0712 2.1164 2.1164 2.2836 2.2836 2.8716 2.8716 3.2235 3.2235 3.4512 3.4512 3.7247 3.7247 3.9238 3.9238 4.1264 4.1264 4.1558 4.1558 4.2647 4.2647 5.0852 5.0852 5.2043 5.2043 5.2189 5.2189 5.2430 5.2430 12.1662 12.1662 12.5695 12.5695 13.0058 13.0058 13.2267 13.2267 14.1545 14.1545 k = 0.3718 0.4807-0.0000 ( 3488 PWs) bands (ev): -15.4924 -15.4924 -15.4043 -15.4043 -15.3703 -15.3703 -15.2946 -15.2946 -14.7130 -14.7130 -14.5170 -14.5170 1.2799 1.2799 1.7103 1.7103 2.0090 2.0090 2.0581 2.0581 2.1013 2.1013 2.2877 2.2877 2.8682 2.8682 3.2553 3.2553 3.3897 3.3897 3.7214 3.7214 3.9029 3.9029 4.1359 4.1359 4.1566 4.1566 4.2715 4.2715 5.0853 5.0853 5.2135 5.2135 5.2231 5.2231 5.2525 5.2525 12.1695 12.1695 12.5590 12.5590 13.0648 13.0648 13.2540 13.2540 14.1656 14.1656 k = 0.3590 0.4807-0.0000 ( 3490 PWs) bands (ev): -15.5151 -15.5151 -15.4040 -15.4040 -15.3811 -15.3811 -15.2829 -15.2829 -14.7172 -14.7172 -14.5029 -14.5029 1.2677 1.2677 1.6799 1.6799 2.0137 2.0137 2.0454 2.0454 2.0880 2.0880 2.2914 2.2914 2.8632 2.8632 3.2851 3.2851 3.3271 3.3271 3.7244 3.7244 3.8779 3.8779 4.1432 4.1432 4.1579 4.1579 4.2768 4.2768 5.0864 5.0864 5.2186 5.2186 5.2309 5.2309 5.2627 5.2627 12.1797 12.1797 12.5533 12.5533 13.1169 13.1169 13.2790 13.2790 14.1837 14.1837 k = 0.3462 0.4807-0.0000 ( 3494 PWs) bands (ev): -15.5386 -15.5386 -15.4063 -15.4063 -15.3900 -15.3900 -15.2708 -15.2708 -14.7208 -14.7208 -14.4887 -14.4887 1.2582 1.2582 1.6410 1.6410 2.0181 2.0181 2.0349 2.0349 2.0778 2.0778 2.2946 2.2946 2.8568 2.8568 3.2634 3.2634 3.3127 3.3127 3.7337 3.7337 3.8490 3.8490 4.1485 4.1485 4.1600 4.1600 4.2807 4.2807 5.0883 5.0883 5.2202 5.2202 5.2413 5.2413 5.2736 5.2736 12.1967 12.1967 12.5525 12.5525 13.1581 13.1581 13.3048 13.3048 14.2088 14.2088 k = 0.3333 0.4807-0.0000 ( 3494 PWs) bands (ev): -15.5630 -15.5630 -15.4160 -15.4160 -15.3924 -15.3924 -15.2583 -15.2583 -14.7240 -14.7240 -14.4743 -14.4743 1.2512 1.2512 1.5966 1.5966 2.0119 2.0119 2.0325 2.0325 2.0727 2.0727 2.2974 2.2974 2.8495 2.8495 3.1992 3.1992 3.3374 3.3374 3.7490 3.7490 3.8164 3.8164 4.1522 4.1522 4.1625 4.1625 4.2831 4.2831 5.0912 5.0912 5.2202 5.2202 5.2525 5.2525 5.2849 5.2849 12.2204 12.2204 12.5566 12.5566 13.1846 13.1846 13.3351 13.3351 14.2404 14.2404 k = 0.3205 0.4807-0.0000 ( 3494 PWs) bands (ev): -15.5881 -15.5881 -15.4304 -15.4304 -15.3906 -15.3906 -15.2455 -15.2455 -14.7268 -14.7268 -14.4599 -14.4599 1.2468 1.2468 1.5487 1.5487 1.9990 1.9990 2.0317 2.0317 2.0731 2.0731 2.2995 2.2995 2.8420 2.8420 3.1348 3.1348 3.3586 3.3586 3.7694 3.7694 3.7807 3.7807 4.1549 4.1549 4.1655 4.1655 4.2842 4.2842 5.0949 5.0949 5.2190 5.2190 5.2639 5.2639 5.2967 5.2967 12.2506 12.2506 12.5654 12.5654 13.1961 13.1961 13.3705 13.3705 14.2777 14.2777 k = 0.3077 0.4807-0.0000 ( 3502 PWs) bands (ev): -15.6137 -15.6137 -15.4467 -15.4467 -15.3875 -15.3875 -15.2325 -15.2325 -14.7291 -14.7291 -14.4454 -14.4454 1.2448 1.2448 1.4989 1.4989 1.9850 1.9850 2.0286 2.0286 2.0763 2.0763 2.3011 2.3011 2.8349 2.8349 3.0704 3.0704 3.3759 3.3759 3.7401 3.7401 3.7963 3.7963 4.1572 4.1572 4.1690 4.1690 4.2841 4.2841 5.0993 5.0993 5.2164 5.2164 5.2754 5.2754 5.3087 5.3087 12.2870 12.2870 12.5791 12.5791 13.1959 13.1959 13.4084 13.4084 14.3198 14.3198 k = 0.2949 0.4807-0.0000 ( 3498 PWs) bands (ev): -15.6398 -15.6398 -15.4642 -15.4642 -15.3837 -15.3837 -15.2192 -15.2192 -14.7311 -14.7311 -14.4310 -14.4310 1.2451 1.2451 1.4484 1.4484 1.9712 1.9712 2.0248 2.0248 2.0787 2.0787 2.3022 2.3022 2.8289 2.8289 3.0065 3.0065 3.3887 3.3887 3.6972 3.6972 3.8266 3.8266 4.1596 4.1596 4.1730 4.1730 4.2830 4.2830 5.1045 5.1045 5.2125 5.2125 5.2868 5.2868 5.3210 5.3210 12.3294 12.3294 12.5973 12.5973 13.1876 13.1876 13.4457 13.4457 14.3658 14.3658 k = 0.2821 0.4807-0.0000 ( 3498 PWs) bands (ev): -15.6660 -15.6660 -15.4824 -15.4824 -15.3795 -15.3795 -15.2059 -15.2059 -14.7327 -14.7327 -14.4167 -14.4167 1.2473 1.2473 1.3979 1.3979 1.9580 1.9580 2.0215 2.0215 2.0784 2.0784 2.3027 2.3027 2.8247 2.8247 2.9432 2.9432 3.3964 3.3964 3.6512 3.6512 3.8607 3.8607 4.1627 4.1627 4.1776 4.1776 4.2811 4.2811 5.1103 5.1103 5.2072 5.2072 5.2980 5.2980 5.3335 5.3335 12.3774 12.3774 12.6201 12.6201 13.1739 13.1739 13.4809 13.4809 14.4146 14.4146 k = 0.2692 0.4807-0.0000 ( 3494 PWs) bands (ev): -15.6924 -15.6924 -15.5013 -15.5013 -15.3748 -15.3748 -15.1925 -15.1925 -14.7339 -14.7339 -14.4025 -14.4025 1.2507 1.2507 1.3487 1.3487 1.9460 1.9460 2.0187 2.0187 2.0749 2.0749 2.3026 2.3026 2.8225 2.8225 2.8814 2.8814 3.3984 3.3984 3.6025 3.6025 3.8979 3.8979 4.1668 4.1668 4.1830 4.1830 4.2784 4.2784 5.1166 5.1166 5.2006 5.2006 5.3091 5.3091 5.3459 5.3459 12.4307 12.4307 12.6472 12.6472 13.1565 13.1565 13.5130 13.5130 14.4655 14.4655 k = 0.2564 0.4807-0.0000 ( 3494 PWs) bands (ev): -15.7187 -15.7187 -15.5205 -15.5205 -15.3700 -15.3700 -15.1791 -15.1791 -14.7349 -14.7349 -14.3884 -14.3884 1.2514 1.2514 1.3050 1.3050 1.9355 1.9355 2.0163 2.0163 2.0685 2.0685 2.3019 2.3019 2.8134 2.8134 2.8299 2.8299 3.3943 3.3943 3.5513 3.5513 3.9373 3.9373 4.1724 4.1724 4.1894 4.1894 4.2752 4.2752 5.1234 5.1234 5.1925 5.1925 5.3200 5.3200 5.3583 5.3583 12.4889 12.4889 12.6785 12.6785 13.1365 13.1365 13.5417 13.5417 14.5174 14.5174 k = 0.2436 0.4807-0.0000 ( 3488 PWs) bands (ev): -15.7448 -15.7448 -15.5400 -15.5400 -15.3648 -15.3648 -15.1659 -15.1659 -14.7356 -14.7356 -14.3747 -14.3747 1.2313 1.2313 1.2849 1.2849 1.9267 1.9267 2.0131 2.0131 2.0607 2.0607 2.3006 2.3006 2.7585 2.7585 2.8283 2.8283 3.3839 3.3839 3.4980 3.4980 3.9785 3.9785 4.1792 4.1792 4.1975 4.1975 4.2716 4.2716 5.1303 5.1303 5.1831 5.1831 5.3306 5.3306 5.3705 5.3705 12.5515 12.5515 12.7138 12.7138 13.1149 13.1149 13.5671 13.5671 14.5684 14.5684 k = 0.2308 0.4807-0.0000 ( 3488 PWs) bands (ev): -15.7706 -15.7706 -15.5596 -15.5596 -15.3596 -15.3596 -15.1527 -15.1527 -14.7361 -14.7361 -14.3612 -14.3612 1.1899 1.1899 1.2889 1.2889 1.9200 1.9200 2.0070 2.0070 2.0541 2.0541 2.2988 2.2988 2.7012 2.7012 2.8332 2.8332 3.3670 3.3670 3.4429 3.4429 4.0208 4.0208 4.1866 4.1866 4.2080 4.2080 4.2678 4.2678 5.1370 5.1370 5.1727 5.1727 5.3409 5.3409 5.3825 5.3825 12.6177 12.6177 12.7531 12.7531 13.0925 13.0925 13.5894 13.5894 14.5934 14.5934 k = 0.2179 0.4807-0.0000 ( 3506 PWs) bands (ev): -15.7959 -15.7959 -15.5792 -15.5792 -15.3542 -15.3542 -15.1399 -15.1399 -14.7364 -14.7364 -14.3481 -14.3481 1.1454 1.1454 1.2988 1.2988 1.9157 1.9157 1.9956 1.9956 2.0518 2.0518 2.2962 2.2962 2.6456 2.6456 2.8403 2.8403 3.3436 3.3436 3.3864 3.3864 4.0636 4.0636 4.1938 4.1938 4.2216 4.2216 4.2640 4.2640 5.1417 5.1417 5.1630 5.1630 5.3508 5.3508 5.3941 5.3941 12.6864 12.6864 12.7966 12.7966 13.0700 13.0700 13.6086 13.6086 14.5931 14.5931 k = 0.2051 0.4807-0.0000 ( 3506 PWs) bands (ev): -15.8206 -15.8206 -15.5985 -15.5985 -15.3488 -15.3488 -15.1273 -15.1273 -14.7364 -14.7364 -14.3354 -14.3354 1.1015 1.1015 1.3108 1.3108 1.9142 1.9142 1.9791 1.9791 2.0545 2.0545 2.2929 2.2929 2.5925 2.5925 2.8489 2.8489 3.3133 3.3133 3.3297 3.3297 4.1063 4.1063 4.2006 4.2006 4.2384 4.2384 4.2607 4.2607 5.1376 5.1376 5.1605 5.1605 5.3604 5.3604 5.4053 5.4053 12.7556 12.7556 12.8454 12.8454 13.0481 13.0481 13.6251 13.6251 14.5887 14.5887 k = 0.1923 0.4807-0.0000 ( 3498 PWs) bands (ev): -15.8446 -15.8446 -15.6175 -15.6175 -15.3434 -15.3434 -15.1151 -15.1151 -14.7363 -14.7363 -14.3232 -14.3232 1.0591 1.0591 1.3236 1.3236 1.9159 1.9159 1.9593 1.9593 2.0609 2.0609 2.2888 2.2888 2.5423 2.5423 2.8587 2.8587 3.2669 3.2669 3.2826 3.2826 4.1481 4.1481 4.2070 4.2070 4.2529 4.2529 4.2636 4.2636 5.1244 5.1244 5.1657 5.1657 5.3695 5.3695 5.4161 5.4161 12.8213 12.8213 12.9015 12.9015 13.0282 13.0282 13.6393 13.6393 14.5812 14.5812 k = 0.1795 0.4807-0.0000 ( 3498 PWs) bands (ev): -15.8677 -15.8677 -15.6360 -15.6360 -15.3381 -15.3381 -15.1033 -15.1033 -14.7361 -14.7361 -14.3114 -14.3114 1.0187 1.0187 1.3367 1.3367 1.9209 1.9209 1.9376 1.9376 2.0703 2.0703 2.2836 2.2836 2.4954 2.4954 2.8692 2.8692 3.2086 3.2086 3.2419 3.2419 4.1870 4.1870 4.2132 4.2132 4.2544 4.2544 4.2844 4.2844 5.1079 5.1079 5.1726 5.1726 5.3783 5.3783 5.4262 5.4262 12.8776 12.8776 12.9665 12.9665 13.0147 13.0147 13.6513 13.6513 14.5707 14.5707 k = 0.1667 0.4807-0.0000 ( 3494 PWs) bands (ev): -15.8897 -15.8897 -15.6538 -15.6538 -15.3328 -15.3328 -15.0920 -15.0920 -14.7358 -14.7358 -14.3003 -14.3003 0.9805 0.9805 1.3496 1.3496 1.9146 1.9146 1.9303 1.9303 2.0823 2.0823 2.2768 2.2768 2.4527 2.4527 2.8800 2.8800 3.1491 3.1491 3.1976 3.1976 4.2166 4.2166 4.2193 4.2194 4.2617 4.2617 4.3098 4.3098 5.0894 5.0894 5.1798 5.1798 5.3865 5.3865 5.4358 5.4358 12.9152 12.9152 13.0067 13.0067 13.0496 13.0496 13.6614 13.6614 14.5574 14.5574 k = 0.1538 0.4807-0.0000 ( 3486 PWs) bands (ev): -15.9107 -15.9107 -15.6708 -15.6708 -15.3278 -15.3278 -15.0812 -15.0812 -14.7354 -14.7354 -14.2897 -14.2897 0.9446 0.9446 1.3619 1.3619 1.8920 1.8920 1.9433 1.9433 2.0967 2.0967 2.2679 2.2679 2.4150 2.4150 2.8908 2.8908 3.0894 3.0894 3.1496 3.1496 4.2244 4.2244 4.2276 4.2276 4.2870 4.2870 4.3375 4.3375 5.0692 5.0692 5.1870 5.1870 5.3942 5.3942 5.4446 5.4446 12.9231 12.9231 13.0349 13.0349 13.1304 13.1304 13.6700 13.6700 14.5413 14.5413 k = 0.1410 0.4807-0.0000 ( 3490 PWs) bands (ev): -15.9304 -15.9304 -15.6870 -15.6870 -15.3229 -15.3229 -15.0711 -15.0711 -14.7349 -14.7349 -14.2798 -14.2798 0.9111 0.9111 1.3731 1.3731 1.8697 1.8697 1.9606 1.9606 2.1133 2.1133 2.2558 2.2558 2.3835 2.3835 2.9012 2.9012 3.0299 3.0299 3.0985 3.0985 4.2273 4.2273 4.2302 4.2302 4.3209 4.3209 4.3669 4.3669 5.0476 5.0476 5.1939 5.1939 5.4014 5.4014 5.4528 5.4528 12.9132 12.9132 13.0790 13.0790 13.2169 13.2169 13.6772 13.6772 14.5226 14.5226 k = 0.1282 0.4807-0.0000 ( 3492 PWs) bands (ev): -15.9488 -15.9488 -15.7022 -15.7022 -15.3184 -15.3184 -15.0616 -15.0616 -14.7344 -14.7344 -14.2706 -14.2706 0.8803 0.8803 1.3832 1.3832 1.8481 1.8481 1.9823 1.9823 2.1322 2.1322 2.2400 2.2400 2.3591 2.3591 2.9108 2.9108 2.9711 2.9711 3.0450 3.0450 4.2251 4.2251 4.2351 4.2351 4.3555 4.3555 4.3977 4.3977 5.0245 5.0245 5.2005 5.2005 5.4081 5.4081 5.4603 5.4603 12.8987 12.8987 13.1280 13.1280 13.3062 13.3062 13.6832 13.6832 14.5016 14.5016 k = 0.1154 0.4807-0.0000 ( 3486 PWs) bands (ev): -15.9657 -15.9657 -15.7163 -15.7163 -15.3141 -15.3141 -15.0529 -15.0529 -14.7339 -14.7339 -14.2621 -14.2621 0.8521 0.8521 1.3919 1.3919 1.8278 1.8278 2.0082 2.0082 2.1533 2.1533 2.2210 2.2210 2.3418 2.3418 2.9104 2.9104 2.9207 2.9207 2.9909 2.9909 4.2223 4.2223 4.2398 4.2398 4.3887 4.3887 4.4294 4.4294 5.0001 5.0001 5.2066 5.2066 5.4141 5.4141 5.4670 5.4670 12.8834 12.8834 13.1779 13.1779 13.3973 13.3973 13.6883 13.6883 14.4786 14.4786 k = 0.1026 0.4807-0.0000 ( 3486 PWs) bands (ev): -15.9811 -15.9811 -15.7291 -15.7291 -15.3101 -15.3101 -15.0449 -15.0449 -14.7334 -14.7334 -14.2544 -14.2544 0.8267 0.8267 1.3993 1.3993 1.8089 1.8089 2.0380 2.0380 2.1757 2.1757 2.2011 2.2011 2.3302 2.3302 2.8549 2.8549 2.9120 2.9120 2.9485 2.9485 4.2193 4.2193 4.2441 4.2441 4.4197 4.4197 4.4618 4.4618 4.9743 4.9743 5.2123 5.2123 5.4196 5.4196 5.4729 5.4729 12.8688 12.8688 13.2271 13.2271 13.4893 13.4893 13.6927 13.6927 14.4541 14.4541 k = 0.0897 0.4807-0.0000 ( 3486 PWs) bands (ev): -15.9949 -15.9949 -15.7407 -15.7407 -15.3065 -15.3065 -15.0378 -15.0378 -14.7329 -14.7329 -14.2475 -14.2475 0.8041 0.8041 1.4054 1.4054 1.7917 1.7917 2.0707 2.0707 2.1774 2.1774 2.2049 2.2049 2.3230 2.3230 2.7987 2.7987 2.8639 2.8639 2.9453 2.9453 4.2166 4.2166 4.2480 4.2480 4.4480 4.4480 4.4948 4.4948 4.9474 4.9474 5.2174 5.2174 5.4245 5.4245 5.4781 5.4781 12.8554 12.8554 13.2747 13.2747 13.5811 13.5811 13.6970 13.6970 14.4287 14.4287 k = 0.0769 0.4807-0.0000 ( 3490 PWs) bands (ev): -16.0070 -16.0070 -15.7509 -15.7509 -15.3034 -15.3034 -15.0315 -15.0315 -14.7324 -14.7324 -14.2415 -14.2415 0.7844 0.7844 1.4102 1.4102 1.7764 1.7764 2.1037 2.1037 2.1621 2.1621 2.2320 2.2320 2.3193 2.3193 2.7438 2.7438 2.8054 2.8054 2.9508 2.9508 4.2140 4.2140 4.2515 4.2515 4.4733 4.4733 4.5282 4.5282 4.9194 4.9194 5.2220 5.2220 5.4288 5.4288 5.4825 5.4825 12.8434 12.8434 13.3197 13.3197 13.6670 13.6670 13.7063 13.7063 14.4029 14.4029 k = 0.0641 0.4807-0.0000 ( 3494 PWs) bands (ev): -16.0173 -16.0173 -15.7597 -15.7597 -15.3007 -15.3007 -15.0262 -15.0262 -14.7320 -14.7320 -14.2364 -14.2364 0.7676 0.7676 1.4140 1.4140 1.7632 1.7632 2.1219 2.1219 2.1647 2.1647 2.2621 2.2621 2.3192 2.3192 2.6904 2.6904 2.7454 2.7454 2.9564 2.9564 4.2118 4.2118 4.2544 4.2544 4.4951 4.4951 4.5620 4.5620 4.8902 4.8902 5.2259 5.2259 5.4324 5.4324 5.4862 5.4862 12.8331 12.8331 13.3610 13.3610 13.6951 13.6951 13.7719 13.7719 14.3775 14.3775 k = 0.0513 0.4807-0.0000 ( 3498 PWs) bands (ev): -16.0259 -16.0259 -15.7669 -15.7669 -15.2984 -15.2984 -15.0217 -15.0217 -14.7317 -14.7317 -14.2321 -14.2321 0.7538 0.7538 1.4168 1.4168 1.7523 1.7523 2.1153 2.1153 2.1943 2.1943 2.2942 2.2942 2.3246 2.3246 2.6386 2.6386 2.6850 2.6850 2.9613 2.9613 4.2100 4.2100 4.2569 4.2569 4.5132 4.5132 4.5960 4.5960 4.8601 4.8601 5.2291 5.2291 5.4354 5.4354 5.4892 5.4892 12.8245 12.8245 13.3975 13.3975 13.6986 13.6986 13.8595 13.8595 14.3533 14.3533 k = 0.0385 0.4807-0.0000 ( 3490 PWs) bands (ev): -16.0325 -16.0325 -15.7726 -15.7726 -15.2966 -15.2966 -15.0183 -15.0183 -14.7314 -14.7314 -14.2288 -14.2288 0.7431 0.7431 1.4189 1.4189 1.7437 1.7437 2.1051 2.1051 2.2251 2.2251 2.3267 2.3267 2.3407 2.3407 2.5886 2.5886 2.6252 2.6252 2.9653 2.9653 4.2085 4.2085 4.2589 4.2589 4.5275 4.5275 4.6302 4.6302 4.8291 4.8291 5.2317 5.2317 5.4377 5.4377 5.4915 5.4915 12.8177 12.8177 13.4278 13.4278 13.7001 13.7001 13.9447 13.9447 14.3305 14.3305 k = 0.0256 0.4807-0.0000 ( 3486 PWs) bands (ev): -16.0373 -16.0373 -15.7767 -15.7767 -15.2953 -15.2953 -15.0158 -15.0158 -14.7312 -14.7312 -14.2264 -14.2264 0.7354 0.7354 1.4203 1.4203 1.7374 1.7374 2.0971 2.0971 2.2462 2.2462 2.3599 2.3599 2.3722 2.3722 2.5403 2.5403 2.5665 2.5665 2.9681 2.9681 4.2075 4.2075 4.2603 4.2603 4.5378 4.5378 4.6642 4.6642 4.7974 4.7974 5.2335 5.2335 5.4394 5.4394 5.4931 5.4931 12.8129 12.8129 13.4507 13.4507 13.7009 13.7009 14.0227 14.0227 14.3092 14.3092 k = 0.0128 0.4807-0.0000 ( 3494 PWs) bands (ev): -16.0402 -16.0402 -15.7791 -15.7791 -15.2946 -15.2946 -15.0143 -15.0143 -14.7311 -14.7311 -14.2250 -14.2250 0.7308 0.7308 1.4211 1.4211 1.7337 1.7337 2.0920 2.0920 2.2564 2.2564 2.4012 2.4012 2.4111 2.4111 2.4938 2.4938 2.5102 2.5102 2.9699 2.9699 4.2068 4.2068 4.2611 4.2611 4.5440 4.5440 4.6980 4.6980 4.7650 4.7650 5.2347 5.2347 5.4404 5.4404 5.4941 5.4941 12.8100 12.8100 13.4651 13.4651 13.7013 13.7013 14.0849 14.0849 14.2896 14.2896 k = 0.0000 0.4807-0.0000 ( 3494 PWs) bands (ev): -16.0412 -16.0412 -15.7800 -15.7800 -15.2943 -15.2943 -15.0138 -15.0138 -14.7310 -14.7310 -14.2245 -14.2245 0.7292 0.7292 1.4213 1.4213 1.7324 1.7324 2.0903 2.0903 2.2592 2.2592 2.4444 2.4444 2.4476 2.4476 2.4513 2.4513 2.4661 2.4661 2.9705 2.9705 4.2066 4.2066 4.2614 4.2614 4.5461 4.5461 4.7283 4.7283 4.7352 4.7352 5.2350 5.2350 5.4407 5.4407 5.4944 5.4944 12.8090 12.8090 13.4699 13.4699 13.7014 13.7014 14.1114 14.1114 14.2795 14.2795 k = 0.0000 0.4807-0.0000 ( 3494 PWs) bands (ev): -16.0412 -16.0412 -15.7800 -15.7800 -15.2943 -15.2943 -15.0138 -15.0138 -14.7310 -14.7310 -14.2245 -14.2245 0.7292 0.7292 1.4213 1.4213 1.7324 1.7324 2.0903 2.0903 2.2592 2.2592 2.4444 2.4444 2.4476 2.4476 2.4513 2.4513 2.4661 2.4661 2.9705 2.9705 4.2066 4.2066 4.2614 4.2614 4.5461 4.5461 4.7283 4.7283 4.7352 4.7352 5.2350 5.2350 5.4407 5.4407 5.4944 5.4944 12.8090 12.8090 13.4699 13.4699 13.7014 13.7014 14.1114 14.1114 14.2795 14.2795 k = 0.0000 0.4680-0.0000 ( 3490 PWs) bands (ev): -16.0423 -16.0423 -15.7799 -15.7799 -15.2939 -15.2939 -15.0136 -15.0136 -14.7310 -14.7310 -14.2243 -14.2243 0.7267 0.7267 1.4232 1.4232 1.7334 1.7334 2.0864 2.0864 2.2516 2.2516 2.4283 2.4283 2.4541 2.4541 2.4628 2.4628 2.4746 2.4746 2.9717 2.9717 4.2059 4.2059 4.2619 4.2619 4.5451 4.5451 4.7284 4.7284 4.7351 4.7351 5.2350 5.2350 5.4398 5.4398 5.4937 5.4937 12.8099 12.8099 13.4695 13.4695 13.7042 13.7042 14.1139 14.1139 14.2784 14.2784 k = 0.0000 0.4554-0.0000 ( 3482 PWs) bands (ev): -16.0458 -16.0458 -15.7796 -15.7796 -15.2928 -15.2928 -15.0131 -15.0131 -14.7309 -14.7309 -14.2236 -14.2236 0.7192 0.7192 1.4288 1.4288 1.7365 1.7365 2.0752 2.0752 2.2304 2.2304 2.4165 2.4165 2.4638 2.4638 2.4676 2.4676 2.5013 2.5013 2.9754 2.9754 4.2037 4.2037 4.2635 4.2635 4.5420 4.5420 4.7287 4.7287 4.7350 4.7350 5.2347 5.2347 5.4368 5.4368 5.4915 5.4915 12.8128 12.8128 13.4681 13.4681 13.7125 13.7125 14.1215 14.1215 14.2750 14.2750 k = 0.0000 0.4427-0.0000 ( 3480 PWs) bands (ev): -16.0515 -16.0515 -15.7793 -15.7793 -15.2911 -15.2911 -15.0124 -15.0124 -14.7307 -14.7307 -14.2225 -14.2225 0.7073 0.7073 1.4374 1.4374 1.7415 1.7415 2.0580 2.0580 2.1989 2.1989 2.4101 2.4101 2.4686 2.4686 2.4836 2.4836 2.5308 2.5308 2.9812 2.9812 4.2002 4.2002 4.2661 4.2661 4.5368 4.5368 4.7290 4.7290 4.7350 4.7350 5.2343 5.2343 5.4320 5.4320 5.4878 5.4878 12.8176 12.8176 13.4657 13.4657 13.7263 13.7263 14.1341 14.1341 14.2692 14.2692 k = 0.0000 0.4301-0.0000 ( 3484 PWs) bands (ev): -16.0592 -16.0592 -15.7789 -15.7789 -15.2886 -15.2886 -15.0114 -15.0114 -14.7305 -14.7305 -14.2210 -14.2210 0.6915 0.6915 1.4485 1.4485 1.7485 1.7485 2.0362 2.0362 2.1605 2.1605 2.4073 2.4073 2.4735 2.4735 2.5059 2.5059 2.5605 2.5605 2.9885 2.9885 4.1952 4.1952 4.2698 4.2698 4.5298 4.5298 4.7292 4.7292 4.7355 4.7355 5.2334 5.2334 5.4255 5.4255 5.4828 5.4828 12.8241 12.8241 13.4624 13.4624 13.7455 13.7455 14.1515 14.1515 14.2612 14.2612 k = 0.0000 0.4174-0.0000 ( 3486 PWs) bands (ev): -16.0689 -16.0689 -15.7786 -15.7786 -15.2854 -15.2854 -15.0100 -15.0100 -14.7302 -14.7302 -14.2191 -14.2191 0.6728 0.6728 1.4611 1.4611 1.7575 1.7575 2.0111 2.0111 2.1174 2.1174 2.4069 2.4069 2.4802 2.4802 2.5317 2.5317 2.5893 2.5893 2.9968 2.9968 4.1889 4.1889 4.2745 4.2745 4.5209 4.5209 4.7292 4.7292 4.7368 4.7368 5.2321 5.2321 5.4176 5.4176 5.4766 5.4766 12.8322 12.8322 13.4582 13.4582 13.7699 13.7699 14.1736 14.1736 14.2511 14.2511 k = 0.0000 0.4048-0.0000 ( 3484 PWs) bands (ev): -16.0803 -16.0803 -15.7785 -15.7785 -15.2815 -15.2815 -15.0084 -15.0084 -14.7299 -14.7299 -14.2167 -14.2167 0.6518 0.6518 1.4745 1.4745 1.7684 1.7684 1.9837 1.9837 2.0713 2.0713 2.4082 2.4082 2.4888 2.4888 2.5599 2.5599 2.6166 2.6166 3.0054 3.0054 4.1814 4.1814 4.2803 4.2803 4.5102 4.5102 4.7291 4.7291 4.7390 4.7390 5.2299 5.2299 5.4087 5.4087 5.4692 5.4692 12.8419 12.8419 13.4530 13.4530 13.7994 13.7994 14.1991 14.1991 14.2397 14.2397 k = 0.0000 0.3921-0.0000 ( 3488 PWs) bands (ev): -16.0933 -16.0933 -15.7786 -15.7786 -15.2770 -15.2770 -15.0066 -15.0066 -14.7296 -14.7296 -14.2140 -14.2140 0.6293 0.6293 1.4878 1.4878 1.7811 1.7811 1.9548 1.9548 2.0231 2.0231 2.4111 2.4111 2.4994 2.4994 2.5897 2.5897 2.6421 2.6421 3.0135 3.0135 4.1726 4.1726 4.2871 4.2871 4.4978 4.4978 4.7292 4.7292 4.7423 4.7423 5.2266 5.2266 5.3992 5.3992 5.4609 5.4609 12.8529 12.8529 13.4469 13.4469 13.8337 13.8337 14.2146 14.2146 14.2407 14.2407 k = 0.0000 0.3795-0.0000 ( 3488 PWs) bands (ev): -16.1077 -16.1077 -15.7791 -15.7791 -15.2718 -15.2718 -15.0046 -15.0046 -14.7293 -14.7293 -14.2109 -14.2109 0.6060 0.6060 1.5005 1.5005 1.7956 1.7956 1.9248 1.9248 1.9737 1.9737 2.4154 2.4154 2.5122 2.5122 2.6204 2.6204 2.6655 2.6655 3.0204 3.0204 4.1627 4.1627 4.2950 4.2950 4.4838 4.4838 4.7294 4.7294 4.7472 4.7472 5.2217 5.2217 5.3898 5.3898 5.4519 5.4519 12.8651 12.8651 13.4399 13.4399 13.8724 13.8724 14.2017 14.2017 14.2722 14.2722 k = 0.0000 0.3668-0.0000 ( 3492 PWs) bands (ev): -16.1233 -16.1233 -15.7800 -15.7800 -15.2660 -15.2660 -15.0023 -15.0023 -14.7291 -14.7291 -14.2075 -14.2075 0.5824 0.5824 1.5122 1.5122 1.8117 1.8117 1.8934 1.8934 1.9242 1.9242 2.4210 2.4210 2.5270 2.5270 2.6513 2.6513 2.6870 2.6870 3.0254 3.0254 4.1517 4.1517 4.3040 4.3040 4.4684 4.4684 4.7297 4.7297 4.7540 4.7540 5.2149 5.2149 5.3810 5.3810 5.4423 5.4423 12.8781 12.8781 13.4321 13.4321 13.9151 13.9151 14.1832 14.1832 14.3116 14.3116 k = 0.0000 0.3542-0.0000 ( 3496 PWs) bands (ev): -16.1400 -16.1400 -15.7814 -15.7814 -15.2596 -15.2596 -14.9998 -14.9998 -14.7288 -14.7288 -14.2038 -14.2038 0.5591 0.5591 1.5225 1.5225 1.8281 1.8281 1.8582 1.8582 1.8788 1.8788 2.4279 2.4279 2.5436 2.5436 2.6813 2.6813 2.7073 2.7073 3.0279 3.0279 4.1398 4.1398 4.3138 4.3138 4.4515 4.4515 4.7299 4.7299 4.7633 4.7633 5.2057 5.2057 5.3733 5.3733 5.4324 5.4324 12.8918 12.8918 13.4236 13.4236 13.9612 13.9612 14.1630 14.1630 14.3553 14.3553 k = 0.0000 0.3415-0.0000 ( 3494 PWs) bands (ev): -16.1575 -16.1575 -15.7832 -15.7832 -15.2527 -15.2527 -14.9973 -14.9973 -14.7287 -14.7287 -14.1998 -14.1998 0.5365 0.5365 1.5313 1.5313 1.8090 1.8090 1.8373 1.8373 1.8558 1.8558 2.4361 2.4361 2.5617 2.5617 2.7073 2.7073 2.7292 2.7292 3.0274 3.0274 4.1271 4.1271 4.3246 4.3246 4.4334 4.4334 4.7299 4.7299 4.7756 4.7756 5.1940 5.1940 5.3672 5.3672 5.4225 5.4225 12.9060 12.9060 13.4145 13.4145 14.0086 14.0086 14.1430 14.1430 14.4028 14.4028 k = 0.0000 0.3289-0.0000 ( 3496 PWs) bands (ev): -16.1757 -16.1757 -15.7856 -15.7856 -15.2452 -15.2452 -14.9945 -14.9945 -14.7286 -14.7286 -14.1955 -14.1955 0.5149 0.5149 1.5386 1.5386 1.7585 1.7585 1.8086 1.8086 1.8737 1.8737 2.4453 2.4453 2.5810 2.5810 2.7256 2.7256 2.7562 2.7562 3.0235 3.0235 4.1136 4.1136 4.3360 4.3360 4.4140 4.4140 4.7296 4.7296 4.7911 4.7911 5.1798 5.1798 5.3628 5.3628 5.4129 5.4129 12.9203 12.9203 13.4049 13.4049 14.0497 14.0497 14.1308 14.1308 14.4535 14.4535 k = 0.0000 0.3162-0.0000 ( 3490 PWs) bands (ev): -16.1945 -16.1945 -15.7883 -15.7883 -15.2373 -15.2373 -14.9917 -14.9917 -14.7285 -14.7285 -14.1910 -14.1910 0.4946 0.4946 1.5443 1.5443 1.7064 1.7064 1.7789 1.7789 1.8961 1.8961 2.4556 2.4556 2.6010 2.6010 2.7382 2.7382 2.7862 2.7862 3.0161 3.0161 4.0995 4.0995 4.3476 4.3476 4.3940 4.3940 4.7291 4.7291 4.8101 4.8101 5.1635 5.1635 5.3599 5.3599 5.4039 5.4039 12.9346 12.9346 13.3951 13.3951 14.0588 14.0588 14.1521 14.1521 14.5071 14.5071 k = 0.0000 0.3036-0.0000 ( 3486 PWs) bands (ev): -16.2136 -16.2136 -15.7916 -15.7916 -15.2289 -15.2289 -14.9889 -14.9889 -14.7286 -14.7286 -14.1863 -14.1863 0.4757 0.4757 1.5486 1.5486 1.6541 1.6541 1.7499 1.7499 1.9203 1.9203 2.4666 2.4666 2.6211 2.6211 2.7474 2.7474 2.8168 2.8168 3.0052 3.0052 4.0849 4.0849 4.3562 4.3562 4.3763 4.3763 4.7283 4.7283 4.8326 4.8326 5.1453 5.1453 5.3584 5.3584 5.3958 5.3958 12.9484 12.9484 13.3851 13.3851 14.0396 14.0396 14.2029 14.2029 14.5633 14.5633 k = 0.0000 0.2909-0.0000 ( 3498 PWs) bands (ev): -16.2331 -16.2331 -15.7953 -15.7953 -15.2201 -15.2201 -14.9860 -14.9860 -14.7288 -14.7288 -14.1814 -14.1814 0.4586 0.4586 1.5506 1.5506 1.6031 1.6031 1.7217 1.7217 1.9459 1.9459 2.4784 2.4784 2.6406 2.6406 2.7539 2.7539 2.8472 2.8472 2.9910 2.9910 4.0699 4.0699 4.3439 4.3439 4.3788 4.3788 4.7272 4.7272 4.8585 4.8585 5.1260 5.1260 5.3576 5.3576 5.3891 5.3891 12.9615 12.9615 13.3753 13.3753 14.0128 14.0128 14.2621 14.2621 14.6164 14.6164 k = 0.0000 0.2783-0.0000 ( 3496 PWs) bands (ev): -16.2527 -16.2527 -15.7994 -15.7994 -15.2109 -15.2109 -14.9831 -14.9831 -14.7291 -14.7291 -14.1764 -14.1764 0.4432 0.4432 1.5389 1.5389 1.5656 1.5656 1.6942 1.6942 1.9728 1.9728 2.4908 2.4908 2.6590 2.6590 2.7581 2.7581 2.8772 2.8772 2.9740 2.9740 4.0546 4.0546 4.3210 4.3210 4.3909 4.3909 4.7258 4.7258 4.8876 4.8876 5.1059 5.1059 5.3572 5.3572 5.3843 5.3843 12.9736 12.9736 13.3659 13.3659 13.9835 13.9835 14.3246 14.3246 14.6345 14.6345 k = 0.0000 0.2656-0.0000 ( 3496 PWs) bands (ev): -16.2724 -16.2724 -15.8039 -15.8039 -15.2014 -15.2014 -14.9803 -14.9803 -14.7294 -14.7294 -14.1714 -14.1714 0.4297 0.4297 1.4938 1.4938 1.5614 1.5614 1.6675 1.6675 2.0008 2.0008 2.5036 2.5036 2.6753 2.6753 2.7601 2.7601 2.9061 2.9061 2.9551 2.9551 4.0391 4.0391 4.2962 4.2962 4.4041 4.4041 4.7242 4.7242 4.9197 4.9197 5.0858 5.0858 5.3567 5.3567 5.3818 5.3818 12.9844 12.9844 13.3572 13.3572 13.9527 13.9527 14.3887 14.3887 14.6530 14.6530 k = 0.0000 0.2530-0.0000 ( 3496 PWs) bands (ev): -16.2919 -16.2919 -15.8087 -15.8087 -15.1915 -15.1915 -14.9776 -14.9776 -14.7299 -14.7299 -14.1663 -14.1663 0.4182 0.4182 1.4443 1.4443 1.5621 1.5621 1.6418 1.6418 2.0298 2.0298 2.5168 2.5168 2.6887 2.6887 2.7601 2.7601 2.9279 2.9279 2.9414 2.9414 4.0236 4.0236 4.2702 4.2702 4.4172 4.4172 4.7223 4.7223 4.9541 4.9541 5.0660 5.0660 5.3561 5.3561 5.3815 5.3815 12.9936 12.9936 13.3494 13.3494 13.9212 13.9212 14.4535 14.4535 14.6715 14.6715 k = 0.0000 0.2403-0.0000 ( 3492 PWs) bands (ev): -16.3113 -16.3113 -15.8137 -15.8137 -15.1815 -15.1815 -14.9749 -14.9749 -14.7305 -14.7305 -14.1612 -14.1612 0.4086 0.4086 1.3952 1.3952 1.5631 1.5631 1.6171 1.6171 2.0596 2.0596 2.5302 2.5302 2.6980 2.6980 2.7580 2.7580 2.9126 2.9126 2.9643 2.9643 4.0081 4.0081 4.2433 4.2433 4.4298 4.4298 4.7201 4.7201 4.9901 4.9901 5.0476 5.0476 5.3559 5.3559 5.3831 5.3831 13.0010 13.0010 13.3427 13.3427 13.8894 13.8894 14.5180 14.5180 14.6887 14.6887 k = 0.0000 0.2277-0.0000 ( 3482 PWs) bands (ev): -16.3303 -16.3303 -15.8190 -15.8190 -15.1713 -15.1713 -14.9725 -14.9725 -14.7312 -14.7312 -14.1561 -14.1561 0.4010 0.4010 1.3472 1.3472 1.5640 1.5640 1.5936 1.5936 2.0901 2.0901 2.5437 2.5437 2.7018 2.7018 2.7541 2.7541 2.8949 2.8949 2.9907 2.9907 3.9928 3.9928 4.2157 4.2157 4.4418 4.4418 4.7178 4.7178 5.0193 5.0193 5.0387 5.0387 5.3565 5.3565 5.3861 5.3861 13.0064 13.0064 13.3374 13.3374 13.8575 13.8575 14.5810 14.5810 14.6995 14.6995 k = 0.0000 0.2150-0.0000 ( 3484 PWs) bands (ev): -16.3489 -16.3489 -15.8244 -15.8244 -15.1609 -15.1609 -14.9702 -14.9702 -14.7320 -14.7320 -14.1511 -14.1511 0.3954 0.3954 1.3006 1.3006 1.5633 1.5633 1.5725 1.5725 2.1211 2.1211 2.5571 2.5571 2.6984 2.6984 2.7487 2.7487 2.8806 2.8806 3.0162 3.0162 3.9777 3.9777 4.1873 4.1873 4.4526 4.4526 4.7152 4.7152 5.0097 5.0097 5.0711 5.0711 5.3582 5.3582 5.3901 5.3901 13.0097 13.0097 13.3337 13.3337 13.8258 13.8258 14.6398 14.6398 14.6902 14.6902 k = 0.0000 0.2024-0.0000 ( 3480 PWs) bands (ev): -16.3670 -16.3670 -15.8298 -15.8298 -15.1504 -15.1504 -14.9682 -14.9682 -14.7328 -14.7328 -14.1462 -14.1462 0.3915 0.3915 1.2555 1.2555 1.5477 1.5477 1.5675 1.5675 2.1523 2.1523 2.5702 2.5702 2.6868 2.6868 2.7430 2.7430 2.8707 2.8707 3.0408 3.0408 3.9629 3.9629 4.1585 4.1585 4.4623 4.4623 4.7125 4.7125 4.9957 4.9957 5.1101 5.1101 5.3612 5.3612 5.3951 5.3951 13.0109 13.0109 13.3314 13.3314 13.7945 13.7945 14.6485 14.6485 14.7004 14.7004 k = 0.0000 0.1897-0.0000 ( 3482 PWs) bands (ev): -16.3845 -16.3845 -15.8353 -15.8353 -15.1399 -15.1399 -14.9664 -14.9664 -14.7337 -14.7337 -14.1414 -14.1414 0.3895 0.3895 1.2123 1.2123 1.5276 1.5276 1.5681 1.5681 2.1834 2.1834 2.5823 2.5823 2.6683 2.6683 2.7375 2.7375 2.8648 2.8648 3.0642 3.0642 3.9485 3.9485 4.1292 4.1292 4.4704 4.4704 4.7096 4.7096 4.9832 4.9832 5.1493 5.1493 5.3652 5.3652 5.4014 5.4014 13.0101 13.0101 13.3307 13.3307 13.7639 13.7639 14.6045 14.6045 14.7445 14.7445 k = 0.0000 0.1771-0.0000 ( 3486 PWs) bands (ev): -16.4013 -16.4013 -15.8408 -15.8408 -15.1294 -15.1294 -14.9649 -14.9649 -14.7346 -14.7346 -14.1368 -14.1368 0.3891 0.3891 1.1710 1.1710 1.5084 1.5084 1.5690 1.5690 2.2144 2.2144 2.5917 2.5917 2.6468 2.6468 2.7322 2.7322 2.8613 2.8613 3.0864 3.0864 3.9346 3.9346 4.0998 4.0998 4.4769 4.4769 4.7066 4.7066 4.9728 4.9728 5.1876 5.1876 5.3701 5.3701 5.4092 5.4092 13.0076 13.0076 13.3313 13.3313 13.7342 13.7342 14.5570 14.5570 14.7792 14.7792 k = 0.0000 0.1644-0.0000 ( 3486 PWs) bands (ev): -16.4173 -16.4173 -15.8462 -15.8462 -15.1190 -15.1190 -14.9638 -14.9638 -14.7356 -14.7356 -14.1324 -14.1324 0.3902 0.3902 1.1319 1.1319 1.4902 1.4902 1.5699 1.5699 2.2448 2.2448 2.5908 2.5908 2.6321 2.6321 2.7269 2.7269 2.8591 2.8591 3.1072 3.1072 3.9213 3.9213 4.0704 4.0704 4.4818 4.4818 4.7036 4.7036 4.9647 4.9647 5.2241 5.2241 5.3751 5.3751 5.4191 5.4191 13.0036 13.0036 13.3329 13.3329 13.7056 13.7056 14.5095 14.5095 14.8068 14.8068 k = 0.0000 0.1518-0.0000 ( 3488 PWs) bands (ev): -16.4325 -16.4325 -15.8515 -15.8515 -15.1088 -15.1088 -14.9630 -14.9630 -14.7366 -14.7366 -14.1282 -14.1282 0.3927 0.3927 1.0950 1.0950 1.4733 1.4733 1.5706 1.5706 2.2744 2.2744 2.5716 2.5716 2.6337 2.6337 2.7222 2.7222 2.8570 2.8570 3.1268 3.1268 3.9087 3.9087 4.0411 4.0411 4.4849 4.4849 4.7006 4.7006 4.9588 4.9588 5.2581 5.2581 5.3800 5.3800 5.4316 5.4316 12.9984 12.9984 13.3355 13.3355 13.6783 13.6783 14.4632 14.4632 14.8306 14.8306 k = 0.0000 0.1391-0.0000 ( 3488 PWs) bands (ev): -16.4467 -16.4467 -15.8565 -15.8565 -15.0987 -15.0987 -14.9626 -14.9626 -14.7376 -14.7376 -14.1242 -14.1242 0.3963 0.3963 1.0606 1.0606 1.4577 1.4577 1.5712 1.5712 2.3029 2.3029 2.5449 2.5449 2.6415 2.6415 2.7183 2.7183 2.8546 2.8546 3.1449 3.1449 3.8968 3.8968 4.0122 4.0122 4.4865 4.4865 4.6976 4.6976 4.9550 4.9550 5.2888 5.2888 5.3845 5.3845 5.4470 5.4470 12.9924 12.9924 13.3386 13.3386 13.6524 13.6524 14.4189 14.4189 14.8522 14.8522 k = 0.0000 0.1265-0.0000 ( 3484 PWs) bands (ev): -16.4599 -16.4599 -15.8613 -15.8613 -15.0888 -15.0888 -14.9625 -14.9625 -14.7385 -14.7385 -14.1205 -14.1205 0.4009 0.4009 1.0286 1.0286 1.4433 1.4433 1.5715 1.5715 2.3298 2.3298 2.5172 2.5172 2.6491 2.6491 2.7164 2.7164 2.8517 2.8517 3.1616 3.1616 3.8857 3.8857 3.9840 3.9840 4.4868 4.4868 4.6948 4.6948 4.9530 4.9530 5.3158 5.3158 5.3886 5.3886 5.4651 5.4651 12.9860 12.9860 13.3421 13.3421 13.6282 13.6282 14.3770 14.3770 14.8722 14.8722 k = 0.0000 0.1138-0.0000 ( 3474 PWs) bands (ev): -16.4720 -16.4720 -15.8658 -15.8658 -15.0793 -15.0793 -14.9629 -14.9629 -14.7395 -14.7395 -14.1171 -14.1171 0.4062 0.4062 0.9994 0.9994 1.4302 1.4302 1.5715 1.5715 2.3549 2.3549 2.4906 2.4906 2.6545 2.6545 2.7173 2.7173 2.8482 2.8482 3.1769 3.1769 3.8754 3.8754 3.9569 3.9569 4.4858 4.4858 4.6921 4.6921 4.9526 4.9526 5.3387 5.3387 5.3923 5.3923 5.4853 5.4853 12.9793 12.9793 13.3457 13.3457 13.6059 13.6059 14.3380 14.3380 14.8907 14.8907 k = 0.0000 0.1012-0.0000 ( 3472 PWs) bands (ev): -16.4830 -16.4830 -15.8699 -15.8699 -15.0702 -15.0702 -14.9636 -14.9636 -14.7403 -14.7403 -14.1140 -14.1140 0.4119 0.4119 0.9729 0.9729 1.4184 1.4184 1.5712 1.5712 2.3776 2.3776 2.4659 2.4659 2.6567 2.6567 2.7217 2.7217 2.8442 2.8442 3.1906 3.1906 3.8661 3.8661 3.9310 3.9310 4.4840 4.4840 4.6897 4.6897 4.9534 4.9534 5.3575 5.3575 5.3961 5.3961 5.5065 5.5065 12.9727 12.9727 13.3493 13.3493 13.5855 13.5855 14.3022 14.3022 14.9076 14.9076 k = 0.0000 0.0885-0.0000 ( 3480 PWs) bands (ev): -16.4929 -16.4929 -15.8736 -15.8736 -15.0615 -15.0615 -14.9648 -14.9648 -14.7412 -14.7412 -14.1112 -14.1112 0.4178 0.4178 0.9493 0.9493 1.4080 1.4080 1.5706 1.5706 2.3973 2.3973 2.4444 2.4444 2.6561 2.6561 2.7290 2.7290 2.8397 2.8397 3.2028 3.2028 3.8577 3.8577 3.9068 3.9068 4.4816 4.4816 4.6874 4.6874 4.9550 4.9550 5.3721 5.3721 5.4006 5.4006 5.5278 5.5278 12.9664 12.9664 13.3527 13.3527 13.5671 13.5671 14.2699 14.2699 14.9229 14.9229 k = 0.0000 0.0759-0.0000 ( 3479 PWs) bands (ev): -16.5015 -16.5015 -15.8770 -15.8770 -15.0534 -15.0534 -14.9663 -14.9663 -14.7419 -14.7419 -14.1088 -14.1088 0.4237 0.4237 0.9287 0.9287 1.3989 1.3989 1.5697 1.5697 2.4093 2.4093 2.4306 2.4306 2.6539 2.6539 2.7384 2.7384 2.8348 2.8348 3.2134 3.2134 3.8503 3.8503 3.8847 3.8847 4.4789 4.4789 4.6854 4.6854 4.9572 4.9572 5.3822 5.3822 5.4065 5.4065 5.5480 5.5480 12.9606 12.9606 13.3559 13.3559 13.5510 13.5510 14.2415 14.2415 14.9358 14.9358 k = 0.0000 0.0632-0.0000 ( 3481 PWs) bands (ev): -16.5089 -16.5089 -15.8798 -15.8798 -15.0459 -15.0459 -14.9680 -14.9680 -14.7426 -14.7426 -14.1067 -14.1067 0.4292 0.4292 0.9112 0.9112 1.3912 1.3912 1.5686 1.5686 2.4014 2.4014 2.4368 2.4368 2.6509 2.6509 2.7486 2.7486 2.8298 2.8298 3.2224 3.2224 3.8440 3.8440 3.8650 3.8650 4.4762 4.4762 4.6837 4.6837 4.9595 4.9595 5.3881 5.3881 5.4138 5.4138 5.5664 5.5664 12.9554 12.9554 13.3586 13.3586 13.5371 13.5371 14.2170 14.2170 14.9374 14.9374 k = 0.0000 0.0506-0.0000 ( 3489 PWs) bands (ev): -16.5150 -16.5150 -15.8823 -15.8823 -15.0393 -15.0393 -14.9699 -14.9699 -14.7431 -14.7431 -14.1050 -14.1050 0.4341 0.4341 0.8967 0.8967 1.3848 1.3848 1.5675 1.5675 2.3888 2.3888 2.4480 2.4480 2.6478 2.6478 2.7590 2.7590 2.8245 2.8245 3.2298 3.2298 3.8388 3.8388 3.8482 3.8482 4.4737 4.4737 4.6822 4.6822 4.9619 4.9619 5.3913 5.3913 5.4213 5.4213 5.5821 5.5821 12.9510 12.9510 13.3609 13.3609 13.5257 13.5257 14.1968 14.1968 14.9332 14.9332 k = 0.0000 0.0379-0.0000 ( 3491 PWs) bands (ev): -16.5197 -16.5197 -15.8841 -15.8841 -15.0336 -15.0336 -14.9719 -14.9719 -14.7435 -14.7435 -14.1037 -14.1037 0.4381 0.4381 0.8854 0.8854 1.3799 1.3799 1.5664 1.5664 2.3784 2.3784 2.4573 2.4573 2.6450 2.6450 2.7690 2.7690 2.8190 2.8190 3.2356 3.2356 3.8344 3.8344 3.8349 3.8349 4.4715 4.4715 4.6811 4.6811 4.9639 4.9639 5.3932 5.3932 5.4276 5.4276 5.5948 5.5948 12.9475 12.9475 13.3627 13.3627 13.5167 13.5167 14.1809 14.1809 14.9297 14.9297 k = 0.0000 0.0253-0.0000 ( 3487 PWs) bands (ev): -16.5231 -16.5231 -15.8855 -15.8855 -15.0292 -15.0292 -14.9736 -14.9736 -14.7438 -14.7438 -14.1027 -14.1027 0.4412 0.4412 0.8773 0.8773 1.3764 1.3764 1.5655 1.5655 2.3708 2.3708 2.4640 2.4640 2.6428 2.6428 2.7781 2.7781 2.8135 2.8135 3.2397 3.2397 3.8247 3.8247 3.8318 3.8318 4.4699 4.4699 4.6803 4.6803 4.9655 4.9655 5.3943 5.3943 5.4324 5.4324 5.6042 5.6042 12.9449 12.9449 13.3640 13.3640 13.5103 13.5103 14.1694 14.1694 14.9273 14.9273 k = 0.0000 0.0126-0.0000 ( 3481 PWs) bands (ev): -16.5252 -16.5252 -15.8863 -15.8863 -15.0264 -15.0264 -14.9748 -14.9748 -14.7440 -14.7440 -14.1021 -14.1021 0.4431 0.4431 0.8724 0.8724 1.3743 1.3743 1.5649 1.5649 2.3663 2.3663 2.4681 2.4681 2.6414 2.6414 2.7856 2.7856 2.8082 2.8082 3.2423 3.2423 3.8186 3.8186 3.8301 3.8301 4.4689 4.4689 4.6798 4.6798 4.9665 4.9665 5.3949 5.3949 5.4353 5.4353 5.6098 5.6098 12.9433 12.9433 13.3648 13.3648 13.5064 13.5064 14.1625 14.1625 14.9258 14.9258 k = 0.0000 0.0000 0.0000 ( 3481 PWs) bands (ev): -16.5259 -16.5259 -15.8866 -15.8866 -15.0254 -15.0254 -14.9752 -14.9752 -14.7441 -14.7441 -14.1019 -14.1019 0.4438 0.4438 0.8708 0.8708 1.3736 1.3736 1.5647 1.5647 2.3648 2.3648 2.4695 2.4695 2.6409 2.6409 2.7891 2.7891 2.8055 2.8055 3.2431 3.2431 3.8165 3.8165 3.8295 3.8295 4.4685 4.4685 4.6797 4.6797 4.9668 4.9668 5.3951 5.3951 5.4363 5.4363 5.6118 5.6118 12.9428 12.9428 13.3651 13.3651 13.5051 13.5051 14.1602 14.1602 14.9253 14.9253 k = 0.0000 0.0000 0.0000 ( 3481 PWs) bands (ev): -16.5259 -16.5259 -15.8866 -15.8866 -15.0254 -15.0254 -14.9752 -14.9752 -14.7441 -14.7441 -14.1019 -14.1019 0.4438 0.4438 0.8708 0.8708 1.3736 1.3736 1.5647 1.5647 2.3648 2.3648 2.4695 2.4695 2.6409 2.6409 2.7891 2.7891 2.8055 2.8055 3.2431 3.2431 3.8165 3.8165 3.8295 3.8295 4.4685 4.4685 4.6797 4.6797 4.9668 4.9668 5.3951 5.3951 5.4363 5.4363 5.6118 5.6118 12.9428 12.9428 13.3651 13.3651 13.5051 13.5051 14.1602 14.1602 14.9253 14.9253 k = 0.0000 0.0000 0.0127 ( 3481 PWs) bands (ev): -16.5251 -16.5251 -15.8863 -15.8863 -15.0259 -15.0259 -14.9769 -14.9769 -14.7426 -14.7426 -14.1021 -14.1021 0.4451 0.4451 0.8705 0.8705 1.3733 1.3733 1.5660 1.5660 2.3659 2.3659 2.4664 2.4664 2.6393 2.6393 2.7903 2.7903 2.8048 2.8048 3.2466 3.2466 3.8164 3.8164 3.8286 3.8286 4.4655 4.4655 4.6793 4.6793 4.9648 4.9648 5.3920 5.3920 5.4379 5.4379 5.6123 5.6123 12.9460 12.9460 13.3670 13.3670 13.5053 13.5053 14.1627 14.1627 14.9001 14.9001 k = 0.0000 0.0000 0.0254 ( 3479 PWs) bands (ev): -16.5226 -16.5226 -15.8854 -15.8854 -15.0273 -15.0273 -14.9818 -14.9818 -14.7383 -14.7383 -14.1025 -14.1025 0.4492 0.4492 0.8694 0.8694 1.3726 1.3726 1.5699 1.5699 2.3694 2.3694 2.4572 2.4572 2.6345 2.6345 2.7934 2.7934 2.8029 2.8029 3.2571 3.2571 3.8158 3.8158 3.8261 3.8261 4.4565 4.4565 4.6781 4.6781 4.9588 4.9588 5.3838 5.3838 5.4420 5.4420 5.6140 5.6140 12.9557 12.9557 13.3729 13.3729 13.5060 13.5060 14.1700 14.1700 14.8593 14.8593 k = 0.0000 0.0000 0.0381 ( 3495 PWs) bands (ev): -16.5186 -16.5186 -15.8840 -15.8840 -15.0298 -15.0298 -14.9895 -14.9895 -14.7315 -14.7315 -14.1033 -14.1033 0.4560 0.4560 0.8677 0.8677 1.3714 1.3714 1.5763 1.5763 2.3748 2.3748 2.4427 2.4427 2.6267 2.6267 2.7953 2.7953 2.8029 2.8029 3.2737 3.2737 3.8149 3.8149 3.8222 3.8222 4.4415 4.4415 4.6761 4.6761 4.9490 4.9490 5.3716 5.3716 5.4472 5.4472 5.6168 5.6168 12.9716 12.9716 13.3825 13.3825 13.5071 13.5071 14.1820 14.1820 14.8164 14.8164 k = 0.0000 0.0000 0.0508 ( 3485 PWs) bands (ev): -16.5130 -16.5130 -15.8820 -15.8820 -15.0331 -15.0331 -14.9998 -14.9998 -14.7225 -14.7225 -14.1044 -14.1044 0.4655 0.4655 0.8655 0.8655 1.3699 1.3699 1.5852 1.5852 2.3813 2.3813 2.4244 2.4244 2.6165 2.6165 2.7903 2.7903 2.8101 2.8101 3.2956 3.2956 3.8136 3.8136 3.8173 3.8173 4.4209 4.4209 4.6733 4.6733 4.9356 4.9356 5.3560 5.3560 5.4529 5.4529 5.6205 5.6205 12.9935 12.9935 13.3958 13.3958 13.5086 13.5086 14.1987 14.1987 14.7732 14.7732 k = 0.0000 0.0000 0.0635 ( 3493 PWs) bands (ev): -16.5058 -16.5058 -15.8795 -15.8795 -15.0375 -15.0375 -15.0121 -15.0121 -14.7118 -14.7118 -14.1058 -14.1058 0.4776 0.4776 0.8630 0.8630 1.3680 1.3680 1.5964 1.5964 2.3823 2.3823 2.4095 2.4095 2.6043 2.6043 2.7815 2.7815 2.8208 2.8208 3.3216 3.3216 3.8107 3.8107 3.8132 3.8132 4.3949 4.3949 4.6697 4.6697 4.9188 4.9188 5.3373 5.3373 5.4587 5.4587 5.6250 5.6250 13.0213 13.0213 13.4126 13.4126 13.5106 13.5106 14.2198 14.2198 14.7301 14.7301 k = 0.0000 0.0000 0.0761 ( 3499 PWs) bands (ev): -16.4971 -16.4971 -15.8765 -15.8765 -15.0427 -15.0427 -15.0261 -15.0261 -14.6997 -14.6997 -14.1075 -14.1075 0.4922 0.4922 0.8601 0.8601 1.3659 1.3659 1.6097 1.6097 2.3628 2.3628 2.4134 2.4134 2.5909 2.5909 2.7694 2.7694 2.8339 2.8339 3.3509 3.3509 3.8052 3.8052 3.8111 3.8111 4.3637 4.3637 4.6652 4.6652 4.8992 4.8992 5.3155 5.3155 5.4645 5.4645 5.6299 5.6299 13.0544 13.0544 13.4327 13.4327 13.5130 13.5130 14.2449 14.2449 14.6878 14.6878 k = 0.0000 0.0000 0.0888 ( 3492 PWs) bands (ev): -16.4868 -16.4868 -15.8730 -15.8730 -15.0488 -15.0488 -15.0415 -15.0415 -14.6865 -14.6865 -14.1095 -14.1095 0.5094 0.5094 0.8573 0.8573 1.3637 1.3637 1.6251 1.6251 2.3336 2.3336 2.4261 2.4261 2.5769 2.5769 2.7534 2.7534 2.8492 2.8492 3.3825 3.3825 3.7996 3.7996 3.8093 3.8093 4.3278 4.3278 4.6599 4.6599 4.8772 4.8772 5.2908 5.2908 5.4702 5.4702 5.6352 5.6352 13.0926 13.0926 13.4557 13.4557 13.5160 13.5160 14.2734 14.2734 14.6469 14.6469 k = 0.0000 0.0000 0.1015 ( 3492 PWs) bands (ev): -16.4751 -16.4751 -15.8691 -15.8691 -15.0583 -15.0583 -15.0556 -15.0556 -14.6725 -14.6725 -14.1120 -14.1120 0.5289 0.5289 0.8545 0.8545 1.3614 1.3614 1.6423 1.6423 2.3007 2.3007 2.4416 2.4416 2.5631 2.5631 2.7332 2.7332 2.8665 2.8665 3.4156 3.4156 3.7945 3.7945 3.8074 3.8074 4.2875 4.2875 4.6537 4.6537 4.8531 4.8531 5.2634 5.2634 5.4757 5.4757 5.6405 5.6405 13.1352 13.1352 13.4813 13.4813 13.5195 13.5195 14.3041 14.3041 14.6083 14.6083 k = 0.0000 0.0000 0.1142 ( 3492 PWs) bands (ev): -16.4619 -16.4619 -15.8648 -15.8648 -15.0756 -15.0756 -15.0635 -15.0635 -14.6578 -14.6578 -14.1148 -14.1148 0.5507 0.5507 0.8521 0.8521 1.3593 1.3593 1.6611 1.6611 2.2658 2.2658 2.4587 2.4587 2.5500 2.5500 2.7084 2.7084 2.8857 2.8857 3.4495 3.4495 3.7900 3.7900 3.8058 3.8058 4.2431 4.2431 4.6467 4.6467 4.8276 4.8276 5.2336 5.2336 5.4809 5.4809 5.6456 5.6456 13.1817 13.1817 13.5088 13.5088 13.5241 13.5241 14.3347 14.3347 14.5743 14.5743 k = 0.0000 0.0000 0.1269 ( 3494 PWs) bands (ev): -16.4473 -16.4473 -15.8602 -15.8602 -15.0938 -15.0938 -15.0722 -15.0722 -14.6425 -14.6425 -14.1179 -14.1179 0.5746 0.5746 0.8501 0.8501 1.3573 1.3573 1.6812 1.6812 2.2293 2.2293 2.4769 2.4769 2.5384 2.5384 2.6791 2.6791 2.9065 2.9065 3.4835 3.4835 3.7862 3.7862 3.8047 3.8047 4.1951 4.1951 4.6386 4.6386 4.8012 4.8012 5.2015 5.2015 5.4857 5.4857 5.6503 5.6503 13.2316 13.2316 13.5263 13.5263 13.5413 13.5413 14.3599 14.3599 14.5501 14.5501 k = 0.0000 0.0000 0.1396 ( 3488 PWs) bands (ev): -16.4313 -16.4313 -15.8554 -15.8554 -15.1126 -15.1126 -15.0815 -15.0815 -14.6268 -14.6268 -14.1215 -14.1215 0.6005 0.6005 0.8489 0.8489 1.3557 1.3557 1.7024 1.7024 2.1918 2.1918 2.4944 2.4944 2.5300 2.5300 2.6453 2.6453 2.9289 2.9289 3.5169 3.5169 3.7827 3.7827 3.8046 3.8046 4.1437 4.1437 4.6297 4.6297 4.7743 4.7743 5.1675 5.1675 5.4902 5.4902 5.6544 5.6544 13.2841 13.2841 13.5320 13.5320 13.5725 13.5725 14.3701 14.3701 14.5449 14.5449 k = 0.0000 0.0000 0.1523 ( 3492 PWs) bands (ev): -16.4140 -16.4140 -15.8504 -15.8504 -15.1318 -15.1318 -15.0915 -15.0915 -14.6107 -14.6107 -14.1255 -14.1255 0.6281 0.6281 0.8485 0.8485 1.3545 1.3545 1.7244 1.7244 2.1536 2.1536 2.5039 2.5039 2.5324 2.5324 2.6074 2.6074 2.9527 2.9527 3.5486 3.5486 3.7793 3.7793 3.8061 3.8061 4.0894 4.0894 4.6197 4.6197 4.7476 4.7476 5.1321 5.1321 5.4942 5.4942 5.6577 5.6577 13.3387 13.3387 13.5377 13.5377 13.6058 13.6058 14.3593 14.3593 14.5644 14.5644 k = 0.0000 0.0000 0.1650 ( 3494 PWs) bands (ev): -16.3955 -16.3955 -15.8454 -15.8454 -15.1513 -15.1513 -15.1022 -15.1022 -14.5943 -14.5943 -14.1300 -14.1300 0.6574 0.6574 0.8491 0.8491 1.3538 1.3538 1.7467 1.7467 2.1151 2.1151 2.5016 2.5016 2.5493 2.5493 2.5661 2.5661 2.9776 2.9776 3.5778 3.5778 3.7754 3.7754 3.8100 3.8100 4.0325 4.0325 4.6087 4.6087 4.7216 4.7216 5.0956 5.0956 5.4976 5.4976 5.6602 5.6602 13.3946 13.3946 13.5442 13.5442 13.6402 13.6402 14.3339 14.3339 14.6020 14.6020 k = 0.0000 0.0000 0.1777 ( 3496 PWs) bands (ev): -16.3759 -16.3759 -15.8405 -15.8405 -15.1709 -15.1709 -15.1135 -15.1135 -14.5777 -14.5777 -14.1349 -14.1349 0.6880 0.6880 0.8508 0.8508 1.3539 1.3539 1.7690 1.7690 2.0766 2.0766 2.4973 2.4973 2.5208 2.5208 2.5720 2.5720 3.0036 3.0036 3.6030 3.6030 3.7709 3.7709 3.8171 3.8171 3.9733 3.9733 4.5965 4.5965 4.6968 4.6968 5.0584 5.0584 5.5007 5.5007 5.6617 5.6617 13.4507 13.4507 13.5516 13.5516 13.6755 13.6755 14.3019 14.3019 14.6493 14.6493 k = 0.0000 0.0000 0.1904 ( 3500 PWs) bands (ev): -16.3551 -16.3551 -15.8359 -15.8359 -15.1905 -15.1905 -15.1253 -15.1253 -14.5609 -14.5609 -14.1403 -14.1403 0.7196 0.7196 0.8539 0.8539 1.3547 1.3547 1.7908 1.7908 2.0383 2.0383 2.4736 2.4736 2.4945 2.4945 2.5961 2.5961 3.0304 3.0304 3.6228 3.6228 3.7653 3.7653 3.8284 3.8284 3.9124 3.9124 4.5832 4.5832 4.6737 4.6737 5.0212 5.0212 5.5032 5.5032 5.6622 5.6622 13.5053 13.5053 13.5614 13.5614 13.7111 13.7111 14.2672 14.2672 14.7018 14.7018 k = 0.0000 0.0000 0.2031 ( 3498 PWs) bands (ev): -16.3332 -16.3332 -15.8316 -15.8316 -15.2099 -15.2099 -15.1377 -15.1377 -14.5439 -14.5439 -14.1462 -14.1462 0.7519 0.7519 0.8584 0.8584 1.3564 1.3564 1.8117 1.8117 2.0005 2.0005 2.4247 2.4247 2.4936 2.4936 2.6216 2.6216 3.0579 3.0579 3.6362 3.6362 3.7581 3.7581 3.8419 3.8419 3.8529 3.8529 4.5690 4.5690 4.6527 4.6527 4.9842 4.9842 5.5054 5.5054 5.6617 5.6617 13.5486 13.5486 13.5826 13.5826 13.7469 13.7469 14.2317 14.2317 14.7570 14.7570 k = 0.0000 0.0000 0.2158 ( 3494 PWs) bands (ev): -16.3104 -16.3104 -15.8279 -15.8279 -15.2288 -15.2288 -15.1504 -15.1504 -14.5269 -14.5269 -14.1526 -14.1526 0.7845 0.7845 0.8646 0.8646 1.3591 1.3591 1.8310 1.8310 1.9637 1.9637 2.3746 2.3746 2.4953 2.4953 2.6483 2.6483 3.0859 3.0859 3.6427 3.6427 3.7487 3.7487 3.7866 3.7866 3.8665 3.8665 4.5539 4.5539 4.6338 4.6338 4.9480 4.9480 5.5073 5.5073 5.6601 5.6601 13.5667 13.5667 13.6285 13.6285 13.7825 13.7825 14.1963 14.1963 14.8133 14.8133 k = 0.0000 0.0000 0.2284 ( 3496 PWs) bands (ev): -16.2868 -16.2868 -15.8250 -15.8250 -15.2470 -15.2470 -15.1635 -15.1635 -14.5098 -14.5098 -14.1596 -14.1596 0.8167 0.8167 0.8726 0.8726 1.3628 1.3628 1.8471 1.8471 1.9289 1.9289 2.3242 2.3242 2.4997 2.4997 2.6764 2.6764 3.1143 3.1143 3.6417 3.6417 3.7230 3.7230 3.7383 3.7383 3.8917 3.8917 4.5382 4.5382 4.6172 4.6172 4.9129 4.9129 5.5090 5.5090 5.6574 5.6574 13.5778 13.5778 13.6804 13.6804 13.8174 13.8174 14.1616 14.1616 14.8694 14.8694 k = 0.0000 0.0000 0.2411 ( 3492 PWs) bands (ev): -16.2624 -16.2624 -15.8232 -15.8232 -15.2643 -15.2643 -15.1768 -15.1768 -14.4926 -14.4926 -14.1670 -14.1670 0.8474 0.8474 0.8833 0.8833 1.3676 1.3676 1.8548 1.8548 1.9015 1.9015 2.2741 2.2741 2.5070 2.5070 2.7057 2.7057 3.1430 3.1430 3.6263 3.6263 3.6709 3.6709 3.7225 3.7225 3.9198 3.9198 4.5222 4.5222 4.6028 4.6028 4.8793 4.8793 5.5107 5.5107 5.6538 5.6538 13.5883 13.5883 13.7312 13.7312 13.8514 13.8514 14.1281 14.1281 14.9241 14.9241 k = 0.0000 0.0000 0.2538 ( 3488 PWs) bands (ev): -16.2372 -16.2372 -15.8227 -15.8227 -15.2804 -15.2804 -15.1904 -15.1904 -14.4755 -14.4755 -14.1751 -14.1751 0.8736 0.8736 0.8992 0.8992 1.3736 1.3736 1.8394 1.8394 1.8957 1.8957 2.2250 2.2250 2.5173 2.5173 2.7364 2.7364 3.1717 3.1717 3.5782 3.5782 3.6470 3.6470 3.7041 3.7041 3.9499 3.9499 4.5060 4.5060 4.5907 4.5907 4.8475 4.8475 5.5124 5.5124 5.6492 5.6492 13.5991 13.5991 13.7795 13.7795 13.8840 13.8840 14.0961 14.0961 14.9758 14.9758 k = 0.0000 0.0000 0.2665 ( 3488 PWs) bands (ev): -16.2115 -16.2115 -15.8237 -15.8237 -15.2950 -15.2950 -15.2040 -15.2040 -14.4584 -14.4584 -14.1836 -14.1836 0.8925 0.8925 0.9224 0.9224 1.3809 1.3809 1.8096 1.8096 1.9027 1.9027 2.1776 2.1776 2.5307 2.5307 2.7685 2.7685 3.2004 3.2004 3.5167 3.5167 3.6336 3.6336 3.6823 3.6823 3.9811 3.9811 4.4895 4.4895 4.5809 4.5809 4.8175 4.8175 5.5143 5.5143 5.6437 5.6437 13.6105 13.6105 13.8241 13.8241 13.9145 13.9145 14.0666 14.0666 15.0232 15.0232 k = 0.0000 0.0000 0.2792 ( 3500 PWs) bands (ev): -16.1854 -16.1854 -15.8266 -15.8266 -15.3078 -15.3078 -15.2177 -15.2177 -14.4415 -14.4415 -14.1928 -14.1928 0.9079 0.9079 0.9486 0.9486 1.3895 1.3895 1.7775 1.7775 1.9103 1.9103 2.1327 2.1327 2.5474 2.5474 2.8018 2.8018 3.2289 3.2289 3.4541 3.4541 3.6190 3.6190 3.6579 3.6579 4.0128 4.0128 4.4727 4.4727 4.5736 4.5736 4.7897 4.7897 5.5164 5.5164 5.6374 5.6374 13.6226 13.6226 13.8634 13.8634 13.9419 13.9419 14.0416 14.0416 15.0651 15.0651 k = 0.0000 0.0000 0.2919 ( 3502 PWs) bands (ev): -16.1589 -16.1589 -15.8316 -15.8316 -15.3186 -15.3186 -15.2314 -15.2314 -14.4247 -14.4247 -14.2025 -14.2025 0.9229 0.9229 0.9738 0.9738 1.3994 1.3994 1.7456 1.7456 1.9162 1.9162 2.0909 2.0909 2.5673 2.5673 2.8358 2.8358 3.2570 3.2570 3.3929 3.3929 3.6002 3.6002 3.6327 3.6327 4.0446 4.0446 4.4552 4.4552 4.5690 4.5690 4.7638 4.7638 5.5191 5.5191 5.6304 5.6304 13.6355 13.6355 13.8938 13.8938 13.9643 13.9643 14.0259 14.0259 15.1011 15.1011 k = 0.0000 0.0000 0.3046 ( 3500 PWs) bands (ev): -16.1322 -16.1322 -15.8388 -15.8388 -15.3272 -15.3272 -15.2448 -15.2448 -14.4080 -14.4080 -14.2127 -14.2127 0.9383 0.9383 0.9964 0.9964 1.4108 1.4108 1.7146 1.7146 1.9199 1.9199 2.0530 2.0530 2.5907 2.5907 2.8696 2.8696 3.2834 3.2835 3.3359 3.3359 3.5740 3.5740 3.6099 3.6099 4.0762 4.0762 4.4369 4.4369 4.5670 4.5670 4.7400 4.7400 5.5223 5.5223 5.6228 5.6228 13.6492 13.6492 13.9069 13.9069 13.9823 13.9823 14.0267 14.0267 15.1311 15.1311 k = 0.0000 0.0000 0.3173 ( 3496 PWs) bands (ev): -16.1054 -16.1054 -15.8484 -15.8484 -15.3334 -15.3334 -15.2580 -15.2580 -14.3916 -14.3916 -14.2235 -14.2235 0.9542 0.9542 1.0157 1.0157 1.4235 1.4235 1.6845 1.6845 1.9216 1.9216 2.0193 2.0193 2.6174 2.6174 2.9014 2.9014 3.2763 3.2763 3.3172 3.3172 3.5403 3.5403 3.5901 3.5901 4.1074 4.1074 4.4176 4.4176 4.5676 4.5676 4.7179 4.7179 5.5261 5.5261 5.6147 5.6147 13.6638 13.6638 13.8994 13.8994 14.0028 14.0028 14.0398 14.0398 15.1562 15.1562 k = 0.0000 0.0000 0.3300 ( 3498 PWs) bands (ev): -16.0787 -16.0787 -15.8605 -15.8605 -15.3372 -15.3372 -15.2707 -15.2707 -14.3754 -14.3754 -14.2349 -14.2349 0.9704 0.9704 1.0308 1.0308 1.4376 1.4376 1.6556 1.6556 1.9215 1.9215 1.9905 1.9905 2.6473 2.6473 2.9275 2.9275 3.2341 3.2341 3.3420 3.3420 3.5017 3.5017 3.5711 3.5711 4.1380 4.1380 4.3973 4.3973 4.5708 4.5708 4.6976 4.6976 5.5306 5.5306 5.6063 5.6063 13.6792 13.6792 13.8810 13.8810 14.0252 14.0252 14.0556 14.0556 15.1774 15.1774 k = 0.0000 0.0000 0.3427 ( 3502 PWs) bands (ev): -16.0522 -16.0522 -15.8749 -15.8749 -15.3385 -15.3385 -15.2829 -15.2829 -14.3595 -14.3595 -14.2468 -14.2468 0.9865 0.9865 1.0415 1.0415 1.4532 1.4532 1.6278 1.6278 1.9203 1.9203 1.9668 1.9668 2.6805 2.6805 2.9414 2.9414 3.2056 3.2056 3.3680 3.3680 3.4600 3.4600 3.5519 3.5519 4.1680 4.1680 4.3760 4.3760 4.5762 4.5762 4.6787 4.6787 5.5358 5.5358 5.5976 5.5976 13.6956 13.6956 13.8592 13.8592 14.0460 14.0460 14.0698 14.0698 15.1959 15.1959 k = 0.0000 0.0000 0.3554 ( 3498 PWs) bands (ev): -16.0262 -16.0262 -15.8915 -15.8915 -15.3376 -15.3376 -15.2944 -15.2944 -14.3440 -14.3440 -14.2593 -14.2593 1.0020 1.0020 1.0475 1.0475 1.4702 1.4702 1.6014 1.6014 1.9186 1.9186 1.9482 1.9482 2.7166 2.7166 2.9365 2.9365 3.1993 3.1993 3.3930 3.3930 3.4171 3.4171 3.5319 3.5319 4.1972 4.1972 4.3535 4.3535 4.5837 4.5837 4.6613 4.6613 5.5417 5.5417 5.5888 5.5888 13.7130 13.7130 13.8364 13.8364 14.0636 14.0636 14.0811 14.0811 15.2128 15.2128 k = 0.0000 0.0000 0.3680 ( 3502 PWs) bands (ev): -16.0008 -16.0008 -15.9102 -15.9102 -15.3345 -15.3345 -15.3050 -15.3050 -14.3288 -14.3288 -14.2722 -14.2722 1.0164 1.0164 1.0488 1.0488 1.4886 1.4886 1.5761 1.5761 1.9174 1.9174 1.9346 1.9346 2.7552 2.7552 2.9128 2.9128 3.2150 3.2150 3.3710 3.3710 3.4195 3.4195 3.5111 3.5111 4.2256 4.2256 4.3299 4.3299 4.5930 4.5930 4.6451 4.6451 5.5484 5.5484 5.5801 5.5801 13.7313 13.7313 13.8139 13.8139 14.0771 14.0771 14.0887 14.0887 15.2288 15.2288 k = 0.0000 0.0000 0.3807 ( 3510 PWs) bands (ev): -15.9763 -15.9763 -15.9307 -15.9307 -15.3295 -15.3295 -15.3145 -15.3145 -14.3140 -14.3140 -14.2857 -14.2857 1.0289 1.0289 1.0458 1.0458 1.5084 1.5084 1.5522 1.5522 1.9175 1.9175 1.9253 1.9253 2.7958 2.7958 2.8775 2.8775 3.2456 3.2456 3.3269 3.3269 3.4435 3.4435 3.4894 3.4894 4.2532 4.2532 4.3053 4.3053 4.6040 4.6040 4.6301 4.6301 5.5556 5.5556 5.5716 5.5716 13.7506 13.7506 13.7919 13.7919 14.0865 14.0865 14.0922 14.0922 15.2445 15.2445 k = 0.0000 0.0000 0.3934 ( 3510 PWs) bands (ev): -15.9529 -15.9529 -15.9529 -15.9529 -15.3228 -15.3228 -15.3228 -15.3228 -14.2996 -14.2996 -14.2996 -14.2996 1.0390 1.0390 1.0390 1.0390 1.5296 1.5296 1.5296 1.5296 1.9199 1.9199 1.9199 1.9199 2.8372 2.8372 2.8372 2.8372 3.2842 3.2842 3.2842 3.2842 3.4669 3.4669 3.4669 3.4669 4.2797 4.2797 4.2797 4.2797 4.6164 4.6164 4.6164 4.6164 5.5634 5.5634 5.5634 5.5634 13.7708 13.7708 13.7708 13.7708 14.0915 14.0915 14.0915 14.0915 15.2602 15.2602 k = 0.0000 0.0000 0.3934 ( 3510 PWs) bands (ev): -15.9529 -15.9529 -15.9529 -15.9529 -15.3228 -15.3228 -15.3228 -15.3228 -14.2996 -14.2996 -14.2996 -14.2996 1.0390 1.0390 1.0390 1.0390 1.5296 1.5296 1.5296 1.5296 1.9199 1.9199 1.9199 1.9199 2.8372 2.8372 2.8372 2.8372 3.2842 3.2842 3.2842 3.2842 3.4669 3.4669 3.4669 3.4669 4.2797 4.2797 4.2797 4.2797 4.6164 4.6164 4.6164 4.6164 5.5634 5.5634 5.5634 5.5634 13.7708 13.7708 13.7708 13.7708 14.0915 14.0915 14.0915 14.0915 15.2602 15.2602 k = 0.0128-0.0000 0.3934 ( 3510 PWs) bands (ev): -15.9523 -15.9523 -15.9516 -15.9516 -15.3231 -15.3231 -15.3230 -15.3230 -14.3000 -14.3000 -14.2997 -14.2997 1.0348 1.0348 1.0391 1.0391 1.5307 1.5307 1.5359 1.5359 1.9193 1.9193 1.9219 1.9219 2.8353 2.8353 2.8362 2.8362 3.2801 3.2801 3.2825 3.2825 3.4698 3.4698 3.4713 3.4713 4.2696 4.2696 4.2851 4.2851 4.6110 4.6110 4.6271 4.6271 5.5628 5.5628 5.5632 5.5632 13.7626 13.7626 13.7759 13.7759 14.0890 14.0890 14.0978 14.0978 15.2581 15.2590 k = 0.0256-0.0000 0.3934 ( 3514 PWs) bands (ev): -15.9501 -15.9501 -15.9486 -15.9486 -15.3240 -15.3240 -15.3238 -15.3238 -14.3009 -14.3009 -14.3003 -14.3003 1.0270 1.0270 1.0351 1.0351 1.5392 1.5392 1.5492 1.5492 1.9202 1.9202 1.9253 1.9253 2.8306 2.8306 2.8322 2.8322 3.2711 3.2711 3.2752 3.2752 3.4796 3.4796 3.4818 3.4818 4.2558 4.2558 4.2851 4.2851 4.6116 4.6116 4.6420 4.6420 5.5616 5.5616 5.5622 5.5622 13.7518 13.7518 13.7777 13.7777 14.0903 14.0903 14.1072 14.1072 15.2564 15.2566 k = 0.0385-0.0000 0.3934 ( 3510 PWs) bands (ev): -15.9460 -15.9460 -15.9438 -15.9438 -15.3255 -15.3255 -15.3252 -15.3252 -14.3023 -14.3023 -14.3014 -14.3014 1.0161 1.0161 1.0274 1.0274 1.5544 1.5544 1.5686 1.5686 1.9225 1.9225 1.9302 1.9302 2.8232 2.8232 2.8256 2.8256 3.2589 3.2589 3.2638 3.2638 3.4945 3.4945 3.4963 3.4963 4.2401 4.2401 4.2802 4.2802 4.6177 4.6177 4.6599 4.6599 5.5596 5.5596 5.5606 5.5606 13.7391 13.7391 13.7761 13.7761 14.0956 14.0956 14.1190 14.1190 15.2554 15.2554 k = 0.0513-0.0000 0.3934 ( 3510 PWs) bands (ev): -15.9402 -15.9402 -15.9373 -15.9373 -15.3275 -15.3275 -15.3272 -15.3272 -14.3041 -14.3041 -14.3030 -14.3030 1.0031 1.0031 1.0168 1.0168 1.5757 1.5757 1.5931 1.5931 1.9264 1.9264 1.9366 1.9366 2.8134 2.8134 2.8164 2.8164 3.2447 3.2447 3.2497 3.2497 3.5126 3.5126 3.5127 3.5127 4.2241 4.2241 4.2717 4.2717 4.6285 4.6285 4.6796 4.6796 5.5569 5.5569 5.5582 5.5582 13.7251 13.7251 13.7716 13.7716 14.1042 14.1042 14.1326 14.1326 15.2549 15.2549 k = 0.0641-0.0000 0.3934 ( 3506 PWs) bands (ev): -15.9328 -15.9328 -15.9292 -15.9292 -15.3301 -15.3301 -15.3297 -15.3297 -14.3064 -14.3064 -14.3050 -14.3050 0.9888 0.9888 1.0041 1.0041 1.6019 1.6019 1.6218 1.6218 1.9318 1.9318 1.9447 1.9447 2.8015 2.8015 2.8050 2.8050 3.2296 3.2296 3.2343 3.2343 3.5291 3.5291 3.5318 3.5318 4.2094 4.2094 4.2614 4.2614 4.6426 4.6426 4.7003 4.7003 5.5536 5.5536 5.5551 5.5551 13.7104 13.7104 13.7648 13.7648 14.1157 14.1157 14.1474 14.1474 15.2548 15.2548 k = 0.0769-0.0000 0.3934 ( 3502 PWs) bands (ev): -15.9237 -15.9237 -15.9194 -15.9194 -15.3331 -15.3331 -15.3327 -15.3327 -14.3092 -14.3091 -14.3075 -14.3075 0.9738 0.9738 0.9900 0.9900 1.6321 1.6321 1.6536 1.6536 1.9391 1.9391 1.9545 1.9545 2.7879 2.7879 2.7919 2.7919 3.2141 3.2142 3.2181 3.2181 3.5438 3.5438 3.5506 3.5506 4.1975 4.1975 4.2512 4.2512 4.6588 4.6588 4.7211 4.7211 5.5495 5.5495 5.5514 5.5514 13.6955 13.6955 13.7562 13.7562 14.1291 14.1291 14.1628 14.1628 15.2548 15.2548 k = 0.0897-0.0000 0.3934 ( 3502 PWs) bands (ev): -15.9130 -15.9130 -15.9080 -15.9080 -15.3367 -15.3367 -15.3362 -15.3362 -14.3123 -14.3123 -14.3104 -14.3104 0.9587 0.9587 0.9752 0.9752 1.6650 1.6650 1.6875 1.6875 1.9483 1.9483 1.9662 1.9662 2.7728 2.7728 2.7773 2.7774 3.1986 3.1986 3.2017 3.2017 3.5554 3.5554 3.5674 3.5674 4.1899 4.1899 4.2427 4.2427 4.6761 4.6761 4.7415 4.7415 5.5449 5.5449 5.5470 5.5470 13.6806 13.6806 13.7466 13.7466 14.1439 14.1439 14.1783 14.1783 15.2548 15.2548 k = 0.1026-0.0000 0.3934 ( 3502 PWs) bands (ev): -15.9008 -15.9008 -15.8952 -15.8952 -15.3407 -15.3407 -15.3401 -15.3401 -14.3159 -14.3159 -14.3137 -14.3137 0.9440 0.9440 0.9603 0.9603 1.6997 1.6997 1.7224 1.7224 1.9599 1.9599 1.9801 1.9801 2.7568 2.7568 2.7618 2.7618 3.1832 3.1832 3.1854 3.1854 3.5628 3.5628 3.5812 3.5812 4.1877 4.1877 4.2376 4.2376 4.6936 4.6936 4.7610 4.7610 5.5396 5.5396 5.5420 5.5420 13.6663 13.6663 13.7365 13.7365 14.1593 14.1593 14.1935 14.1935 15.2542 15.2542 k = 0.1154-0.0000 0.3934 ( 3506 PWs) bands (ev): -15.8872 -15.8872 -15.8810 -15.8810 -15.3452 -15.3452 -15.3445 -15.3445 -14.3198 -14.3198 -14.3175 -14.3175 0.9299 0.9299 0.9458 0.9458 1.7351 1.7351 1.7573 1.7573 1.9741 1.9741 1.9963 1.9963 2.7401 2.7401 2.7455 2.7455 3.1681 3.1681 3.1695 3.1695 3.5651 3.5651 3.5908 3.5908 4.1915 4.1915 4.2370 4.2370 4.7109 4.7109 4.7794 4.7794 5.5338 5.5338 5.5365 5.5365 13.6526 13.6526 13.7263 13.7263 14.1748 14.1748 14.2080 14.2080 15.2523 15.2523 k = 0.1282-0.0000 0.3934 ( 3506 PWs) bands (ev): -15.8723 -15.8723 -15.8655 -15.8655 -15.3500 -15.3500 -15.3493 -15.3493 -14.3241 -14.3241 -14.3216 -14.3216 0.9169 0.9169 0.9319 0.9319 1.7703 1.7703 1.7910 1.7910 1.9913 1.9913 2.0150 2.0150 2.7229 2.7229 2.7291 2.7291 3.1535 3.1535 3.1543 3.1543 3.5623 3.5623 3.5957 3.5958 4.2016 4.2016 4.2417 4.2417 4.7275 4.7275 4.7964 4.7964 5.5274 5.5274 5.5304 5.5304 13.6399 13.6399 13.7163 13.7163 14.1899 14.1899 14.2214 14.2214 15.2475 15.2475 k = 0.1410-0.0000 0.3934 ( 3506 PWs) bands (ev): -15.8561 -15.8561 -15.8489 -15.8489 -15.3552 -15.3552 -15.3545 -15.3545 -14.3287 -14.3287 -14.3260 -14.3260 0.9050 0.9050 0.9189 0.9189 1.8041 1.8041 1.8224 1.8224 2.0119 2.0119 2.0364 2.0364 2.7058 2.7058 2.7128 2.7128 3.1396 3.1396 3.1402 3.1402 3.5545 3.5545 3.5957 3.5957 4.2177 4.2177 4.2518 4.2518 4.7430 4.7430 4.8119 4.8119 5.5206 5.5206 5.5238 5.5238 13.6282 13.6282 13.7069 13.7069 14.2041 14.2041 14.2335 14.2335 15.2367 15.2367 k = 0.1538-0.0000 0.3934 ( 3490 PWs) bands (ev): -15.8389 -15.8389 -15.8311 -15.8311 -15.3606 -15.3606 -15.3599 -15.3599 -14.3335 -14.3335 -14.3307 -14.3307 0.8944 0.8944 0.9071 0.9071 1.8359 1.8359 1.8508 1.8508 2.0357 2.0357 2.0602 2.0602 2.6891 2.6891 2.6973 2.6973 3.1267 3.1267 3.1274 3.1274 3.5425 3.5425 3.5910 3.5910 4.2389 4.2389 4.2671 4.2671 4.7575 4.7575 4.8258 4.8258 5.5134 5.5134 5.5168 5.5168 13.6176 13.6176 13.6983 13.6983 14.2170 14.2170 14.2438 14.2438 15.2149 15.2160 k = 0.1667-0.0000 0.3934 ( 3490 PWs) bands (ev): -15.8207 -15.8207 -15.8125 -15.8125 -15.3663 -15.3663 -15.3655 -15.3655 -14.3386 -14.3386 -14.3357 -14.3357 0.8853 0.8853 0.8966 0.8966 1.8649 1.8649 1.8757 1.8757 2.0620 2.0620 2.0859 2.0859 2.6732 2.6732 2.6830 2.6830 3.1150 3.1150 3.1165 3.1165 3.5270 3.5270 3.5821 3.5821 4.2643 4.2643 4.2868 4.2868 4.7707 4.7707 4.8380 4.8380 5.5058 5.5058 5.5094 5.5094 13.6083 13.6083 13.6906 13.6906 14.2281 14.2281 14.2520 14.2520 15.1574 15.1574 k = 0.1795-0.0000 0.3934 ( 3490 PWs) bands (ev): -15.8016 -15.8016 -15.7931 -15.7931 -15.3721 -15.3721 -15.3713 -15.3713 -14.3440 -14.3440 -14.3409 -14.3409 0.8777 0.8777 0.8875 0.8875 1.8908 1.8908 1.8972 1.8972 2.0896 2.0896 2.1125 2.1125 2.6589 2.6589 2.6709 2.6709 3.1051 3.1051 3.1079 3.1079 3.5092 3.5092 3.5698 3.5698 4.2925 4.2925 4.3100 4.3100 4.7828 4.7828 4.8487 4.8487 5.4978 5.4978 5.5017 5.5017 13.6003 13.6003 13.6838 13.6838 14.2372 14.2372 14.2578 14.2578 15.0975 15.0975 k = 0.1923-0.0000 0.3934 ( 3502 PWs) bands (ev): -15.7819 -15.7819 -15.7731 -15.7731 -15.3780 -15.3780 -15.3773 -15.3773 -14.3495 -14.3495 -14.3464 -14.3464 0.8718 0.8718 0.8799 0.8799 1.9135 1.9135 1.9154 1.9154 2.1168 2.1168 2.1384 2.1384 2.6470 2.6470 2.6619 2.6619 3.0974 3.0974 3.1021 3.1021 3.4899 3.4899 3.5551 3.5551 4.3226 4.3226 4.3353 4.3353 4.7939 4.7939 4.8579 4.8579 5.4896 5.4896 5.4937 5.4937 13.5937 13.5937 13.6782 13.6782 14.2436 14.2436 14.2606 14.2606 15.0392 15.0392 k = 0.2051-0.0000 0.3934 ( 3502 PWs) bands (ev): -15.7617 -15.7617 -15.7526 -15.7526 -15.3839 -15.3839 -15.3832 -15.3832 -14.3551 -14.3551 -14.3519 -14.3519 0.8675 0.8675 0.8740 0.8740 1.9307 1.9307 1.9329 1.9329 2.1418 2.1418 2.1620 2.1620 2.6383 2.6383 2.6568 2.6568 3.0922 3.0922 3.0996 3.0996 3.4700 3.4700 3.5387 3.5387 4.3534 4.3534 4.3618 4.3618 4.8041 4.8041 4.8658 4.8658 5.4812 5.4812 5.4854 5.4854 13.5884 13.5884 13.6737 13.6737 14.2469 14.2469 14.2599 14.2599 14.9834 14.9834 k = 0.2179-0.0000 0.3934 ( 3504 PWs) bands (ev): -15.7411 -15.7411 -15.7319 -15.7319 -15.3897 -15.3897 -15.3890 -15.3890 -14.3608 -14.3608 -14.3577 -14.3577 0.8649 0.8649 0.8698 0.8698 1.9429 1.9429 1.9488 1.9488 2.1628 2.1628 2.1816 2.1816 2.6337 2.6337 2.6568 2.6568 3.0903 3.0903 3.1010 3.1010 3.4501 3.4501 3.5214 3.5214 4.3838 4.3838 4.3881 4.3881 4.8139 4.8139 4.8727 4.8727 5.4726 5.4726 5.4769 5.4769 13.5845 13.5845 13.6703 13.6703 14.2467 14.2467 14.2553 14.2553 14.9312 14.9312 k = 0.2308-0.0000 0.3934 ( 3500 PWs) bands (ev): -15.7204 -15.7204 -15.7112 -15.7112 -15.3953 -15.3953 -15.3947 -15.3947 -14.3666 -14.3666 -14.3634 -14.3634 0.8641 0.8641 0.8673 0.8673 1.9519 1.9519 1.9609 1.9609 2.1789 2.1789 2.1964 2.1964 2.6340 2.6340 2.6623 2.6623 3.0920 3.0920 3.1068 3.1068 3.4308 3.4308 3.5037 3.5037 4.4128 4.4128 4.4131 4.4131 4.8236 4.8236 4.8791 4.8791 5.4639 5.4639 5.4683 5.4683 13.5819 13.5819 13.6681 13.6681 14.2422 14.2422 14.2462 14.2462 14.8834 14.8834 k = 0.2436-0.0000 0.3934 ( 3496 PWs) bands (ev): -15.6999 -15.6999 -15.6906 -15.6906 -15.4004 -15.4004 -15.4000 -15.4000 -14.3724 -14.3724 -14.3693 -14.3693 0.8651 0.8651 0.8667 0.8667 1.9570 1.9570 1.9686 1.9686 2.1898 2.1898 2.2062 2.2062 2.6394 2.6394 2.6732 2.6732 3.0977 3.0977 3.1173 3.1173 3.4129 3.4129 3.4863 3.4863 4.4358 4.4358 4.4395 4.4395 4.8337 4.8337 4.8852 4.8852 5.4552 5.4552 5.4596 5.4596 13.5806 13.5806 13.6671 13.6671 14.2323 14.2323 14.2329 14.2329 14.8409 14.8409 k = 0.2564-0.0000 0.3934 ( 3496 PWs) bands (ev): -15.6797 -15.6797 -15.6705 -15.6705 -15.4051 -15.4051 -15.4048 -15.4048 -14.3782 -14.3781 -14.3751 -14.3751 0.8678 0.8678 0.8679 0.8679 1.9575 1.9575 1.9711 1.9711 2.1962 2.1962 2.2119 2.2119 2.6495 2.6495 2.6887 2.6887 3.1078 3.1078 3.1327 3.1327 3.3968 3.3968 3.4696 3.4696 4.4550 4.4550 4.4628 4.4628 4.8446 4.8446 4.8917 4.8917 5.4464 5.4464 5.4509 5.4509 13.5806 13.5806 13.6672 13.6672 14.2132 14.2132 14.2184 14.2184 14.8041 14.8041 k = 0.2692-0.0000 0.3934 ( 3496 PWs) bands (ev): -15.6601 -15.6601 -15.6512 -15.6512 -15.4090 -15.4090 -15.4090 -15.4090 -14.3839 -14.3839 -14.3809 -14.3809 0.8708 0.8708 0.8725 0.8725 1.9526 1.9526 1.9675 1.9675 2.1996 2.1996 2.2150 2.2150 2.6632 2.6632 2.7075 2.7075 3.1219 3.1219 3.1529 3.1529 3.3834 3.3834 3.4540 3.4540 4.4701 4.4701 4.4819 4.4819 4.8569 4.8569 4.8991 4.8991 5.4378 5.4378 5.4422 5.4422 13.5818 13.5818 13.6682 13.6682 14.1891 14.1891 14.1985 14.1985 14.7734 14.7734 k = 0.2821-0.0000 0.3934 ( 3492 PWs) bands (ev): -15.6415 -15.6415 -15.6330 -15.6330 -15.4123 -15.4123 -15.4120 -15.4120 -14.3895 -14.3895 -14.3866 -14.3866 0.8757 0.8757 0.8789 0.8789 1.9416 1.9416 1.9575 1.9575 2.2015 2.2015 2.2170 2.2170 2.6798 2.6798 2.7283 2.7283 3.1393 3.1393 3.1775 3.1775 3.3735 3.3735 3.4400 3.4400 4.4803 4.4803 4.4962 4.4962 4.8707 4.8707 4.9078 4.9078 5.4292 5.4292 5.4335 5.4335 13.5841 13.5841 13.6703 13.6703 14.1605 14.1605 14.1732 14.1732 14.7485 14.7485 k = 0.2949-0.0000 0.3934 ( 3486 PWs) bands (ev): -15.6242 -15.6242 -15.6162 -15.6162 -15.4144 -15.4144 -15.4137 -15.4137 -14.3950 -14.3950 -14.3922 -14.3922 0.8825 0.8825 0.8871 0.8871 1.9245 1.9245 1.9409 1.9409 2.2031 2.2031 2.2191 2.2191 2.6981 2.6981 2.7501 2.7501 3.1584 3.1584 3.2055 3.2055 3.3688 3.3688 3.4283 3.4283 4.4856 4.4856 4.5050 4.5050 4.8862 4.8862 4.9181 4.9181 5.4207 5.4207 5.4250 5.4250 13.5874 13.5874 13.6732 13.6732 14.1282 14.1282 14.1431 14.1431 14.7289 14.7289 k = 0.3077-0.0000 0.3934 ( 3490 PWs) bands (ev): -15.6086 -15.6086 -15.6013 -15.6013 -15.4152 -15.4152 -15.4139 -15.4139 -14.4004 -14.4004 -14.3977 -14.3977 0.8911 0.8911 0.8971 0.8971 1.9017 1.9017 1.9184 1.9184 2.2051 2.2051 2.2215 2.2215 2.7177 2.7177 2.7724 2.7724 3.1766 3.1766 3.2353 3.2353 3.3711 3.3711 3.4199 3.4199 4.4858 4.4858 4.5082 4.5082 4.9030 4.9030 4.9301 4.9301 5.4124 5.4125 5.4166 5.4166 13.5916 13.5916 13.6768 13.6768 14.0931 14.0931 14.1092 14.1092 14.7141 14.7141 k = 0.3205-0.0000 0.3934 ( 3486 PWs) bands (ev): -15.5951 -15.5951 -15.5885 -15.5885 -15.4142 -15.4142 -15.4124 -15.4124 -14.4055 -14.4055 -14.4030 -14.4030 0.9016 0.9016 0.9089 0.9089 1.8739 1.8739 1.8908 1.8908 2.2075 2.2075 2.2244 2.2244 2.7380 2.7380 2.7947 2.7947 3.1912 3.1912 3.2642 3.2642 3.3825 3.3825 3.4170 3.4170 4.4813 4.4813 4.5061 4.5061 4.9209 4.9209 4.9436 4.9436 5.4044 5.4044 5.4085 5.4085 13.5965 13.5965 13.6810 13.6810 14.0566 14.0566 14.0725 14.0725 14.6998 14.6998 k = 0.3333-0.0000 0.3934 ( 3482 PWs) bands (ev): -15.5838 -15.5838 -15.5782 -15.5782 -15.4115 -15.4115 -15.4090 -15.4090 -14.4105 -14.4105 -14.4081 -14.4081 0.9140 0.9140 0.9225 0.9225 1.8420 1.8420 1.8591 1.8591 2.2103 2.2103 2.2273 2.2273 2.7588 2.7588 2.8170 2.8170 3.2003 3.2003 3.2878 3.2878 3.4038 3.4038 3.4229 3.4229 4.4726 4.4726 4.4989 4.4989 4.9394 4.9394 4.9582 4.9582 5.3966 5.3966 5.4005 5.4005 13.6021 13.6021 13.6857 13.6857 14.0195 14.0195 14.0342 14.0342 14.6893 14.6893 k = 0.3462-0.0000 0.3934 ( 3468 PWs) bands (ev): -15.5750 -15.5750 -15.5703 -15.5703 -15.4068 -15.4068 -15.4038 -15.4038 -14.4151 -14.4151 -14.4130 -14.4130 0.9281 0.9281 0.9378 0.9378 1.8071 1.8071 1.8243 1.8243 2.2132 2.2132 2.2300 2.2300 2.7801 2.7801 2.8392 2.8392 3.2044 3.2044 3.3022 3.3022 3.4336 3.4336 3.4409 3.4409 4.4603 4.4603 4.4873 4.4873 4.9579 4.9579 4.9734 4.9734 5.3892 5.3892 5.3928 5.3928 13.6080 13.6080 13.6905 13.6905 13.9829 13.9829 13.9953 13.9953 14.6819 14.6819 k = 0.3590-0.0000 0.3934 ( 3472 PWs) bands (ev): -15.5685 -15.5685 -15.5647 -15.5647 -15.4005 -15.4005 -15.3969 -15.3969 -14.4196 -14.4196 -14.4175 -14.4175 0.9440 0.9440 0.9547 0.9547 1.7700 1.7700 1.7873 1.7873 2.2159 2.2159 2.2323 2.2323 2.8017 2.8017 2.8614 2.8614 3.2050 3.2050 3.3072 3.3072 3.4694 3.4694 3.4699 3.4699 4.4450 4.4450 4.4720 4.4720 4.9760 4.9760 4.9888 4.9888 5.3820 5.3820 5.3855 5.3855 13.6141 13.6141 13.6953 13.6953 13.9477 13.9477 13.9571 13.9571 14.6768 14.6768 k = 0.3718-0.0000 0.3934 ( 3474 PWs) bands (ev): -15.5641 -15.5641 -15.5611 -15.5611 -15.3928 -15.3928 -15.3889 -15.3889 -14.4237 -14.4237 -14.4218 -14.4218 0.9615 0.9615 0.9731 0.9731 1.7314 1.7314 1.7488 1.7488 2.2184 2.2184 2.2340 2.2340 2.8233 2.8233 2.8834 2.8834 3.2037 3.2037 3.3064 3.3064 3.5058 3.5058 3.5086 3.5086 4.4273 4.4273 4.4535 4.4535 4.9933 4.9933 5.0039 5.0039 5.3753 5.3753 5.3785 5.3785 13.6201 13.6201 13.6998 13.6998 13.9146 13.9146 13.9203 13.9203 14.6736 14.6736 k = 0.3846-0.0000 0.3934 ( 3474 PWs) bands (ev): -15.5614 -15.5614 -15.5591 -15.5591 -15.3843 -15.3843 -15.3802 -15.3802 -14.4275 -14.4275 -14.4258 -14.4258 0.9806 0.9806 0.9929 0.9929 1.6920 1.6920 1.7095 1.7095 2.2204 2.2204 2.2351 2.2351 2.8449 2.8449 2.9048 2.9048 3.2018 3.2018 3.3026 3.3026 3.5448 3.5448 3.5493 3.5493 4.4077 4.4077 4.4327 4.4327 5.0096 5.0096 5.0182 5.0182 5.3689 5.3689 5.3718 5.3718 13.6257 13.6257 13.7035 13.7035 13.8844 13.8844 13.8859 13.8859 14.6716 14.6716 k = 0.3974-0.0000 0.3934 ( 3478 PWs) bands (ev): -15.5600 -15.5600 -15.5583 -15.5583 -15.3754 -15.3754 -15.3713 -15.3713 -14.4309 -14.4309 -14.4294 -14.4294 1.0011 1.0011 1.0140 1.0140 1.6526 1.6526 1.6699 1.6699 2.2220 2.2220 2.2355 2.2355 2.8661 2.8661 2.9252 2.9252 3.2000 3.2000 3.2973 3.2973 3.5846 3.5846 3.5901 3.5901 4.3870 4.3870 4.4101 4.4101 5.0246 5.0246 5.0316 5.0316 5.3629 5.3630 5.3656 5.3656 13.6307 13.6307 13.7059 13.7059 13.8549 13.8549 13.8576 13.8576 14.6707 14.6707 k = 0.4103-0.0000 0.3934 ( 3480 PWs) bands (ev): -15.5595 -15.5595 -15.5582 -15.5582 -15.3665 -15.3665 -15.3627 -15.3627 -14.4340 -14.4340 -14.4327 -14.4327 1.0227 1.0227 1.0360 1.0360 1.6136 1.6136 1.6307 1.6307 2.2233 2.2233 2.2354 2.2354 2.8868 2.8868 2.9441 2.9441 3.1990 3.1991 3.2912 3.2912 3.6237 3.6237 3.6297 3.6297 4.3657 4.3657 4.3866 4.3866 5.0381 5.0381 5.0438 5.0438 5.3575 5.3575 5.3599 5.3599 13.6348 13.6348 13.7061 13.7061 13.8283 13.8283 13.8347 13.8347 14.6705 14.6705 k = 0.4231-0.0000 0.3934 ( 3484 PWs) bands (ev): -15.5596 -15.5596 -15.5586 -15.5586 -15.3582 -15.3582 -15.3546 -15.3546 -14.4367 -14.4366 -14.4356 -14.4356 1.0453 1.0453 1.0587 1.0587 1.5758 1.5758 1.5924 1.5925 2.2243 2.2243 2.2349 2.2349 2.9065 2.9065 2.9607 2.9607 3.1993 3.1993 3.2845 3.2845 3.6610 3.6610 3.6671 3.6671 4.3445 4.3445 4.3629 4.3629 5.0500 5.0500 5.0545 5.0545 5.3526 5.3526 5.3547 5.3547 13.6378 13.6378 13.7034 13.7034 13.8073 13.8073 13.8160 13.8160 14.6709 14.6709 k = 0.4359-0.0000 0.3934 ( 3484 PWs) bands (ev): -15.5601 -15.5601 -15.5593 -15.5593 -15.3506 -15.3506 -15.3475 -15.3475 -14.4389 -14.4389 -14.4380 -14.4380 1.0682 1.0682 1.0814 1.0814 1.5400 1.5400 1.5558 1.5558 2.2251 2.2251 2.2341 2.2341 2.9250 2.9250 2.9746 2.9746 3.2012 3.2012 3.2774 3.2774 3.6954 3.6954 3.7013 3.7013 4.3242 4.3242 4.3398 4.3398 5.0602 5.0602 5.0638 5.0638 5.3483 5.3483 5.3500 5.3500 13.6397 13.6397 13.6970 13.6970 13.7925 13.7925 13.8015 13.8015 14.6715 14.6715 k = 0.4487-0.0000 0.3934 ( 3486 PWs) bands (ev): -15.5606 -15.5606 -15.5601 -15.5601 -15.3440 -15.3440 -15.3414 -15.3414 -14.4408 -14.4408 -14.4401 -14.4401 1.0908 1.0909 1.1033 1.1033 1.5072 1.5072 1.5217 1.5217 2.2258 2.2258 2.2331 2.2331 2.9420 2.9420 2.9850 2.9850 3.2049 3.2049 3.2697 3.2697 3.7261 3.7261 3.7314 3.7314 4.3056 4.3056 4.3182 4.3182 5.0687 5.0687 5.0715 5.0715 5.3447 5.3447 5.3461 5.3461 13.6410 13.6410 13.6877 13.6877 13.7834 13.7834 13.7909 13.7909 14.6724 14.6724 k = 0.4615-0.0000 0.3934 ( 3494 PWs) bands (ev): -15.5612 -15.5612 -15.5608 -15.5608 -15.3386 -15.3386 -15.3366 -15.3366 -14.4423 -14.4422 -14.4417 -14.4417 1.1122 1.1122 1.1231 1.1231 1.4788 1.4788 1.4912 1.4912 2.2264 2.2264 2.2319 2.2319 2.9572 2.9572 2.9916 2.9916 3.2104 3.2104 3.2616 3.2616 3.7519 3.7519 3.7562 3.7562 4.2898 4.2898 4.2993 4.2993 5.0755 5.0755 5.0774 5.0774 5.3418 5.3418 5.3429 5.3429 13.6420 13.6420 13.6771 13.6771 13.7786 13.7786 13.7838 13.7838 14.6735 14.6735 k = 0.4744-0.0000 0.3934 ( 3494 PWs) bands (ev): -15.5616 -15.5616 -15.5614 -15.5614 -15.3346 -15.3346 -15.3332 -15.3332 -14.4433 -14.4433 -14.4429 -14.4429 1.1307 1.1307 1.1391 1.1391 1.4566 1.4566 1.4660 1.4660 2.2271 2.2271 2.2308 2.2308 2.9702 2.9702 2.9942 2.9942 3.2175 3.2175 3.2529 3.2529 3.7717 3.7717 3.7748 3.7748 4.2778 4.2778 4.2842 4.2842 5.0804 5.0804 5.0816 5.0816 5.3397 5.3397 5.3405 5.3405 13.6437 13.6437 13.6668 13.6668 13.7762 13.7762 13.7793 13.7793 14.6746 14.6746 k = 0.4872-0.0000 0.3934 ( 3498 PWs) bands (ev): -15.5619 -15.5619 -15.5618 -15.5618 -15.3320 -15.3320 -15.3313 -15.3313 -14.4438 -14.4438 -14.4437 -14.4437 1.1444 1.1444 1.1490 1.1490 1.4431 1.4431 1.4482 1.4482 2.2279 2.2279 2.2297 2.2297 2.9807 2.9807 2.9931 2.9931 3.2258 3.2258 3.2439 3.2439 3.7845 3.7845 3.7861 3.7861 4.2707 4.2707 4.2739 4.2739 5.0835 5.0835 5.0841 5.0841 5.3385 5.3385 5.3389 5.3389 13.6466 13.6466 13.6581 13.6581 13.7754 13.7754 13.7768 13.7768 14.6756 14.6756 k = 0.5000-0.0000 0.3934 ( 3504 PWs) bands (ev): -15.5619 -15.5619 -15.5619 -15.5619 -15.3309 -15.3309 -15.3309 -15.3309 -14.4440 -14.4440 -14.4440 -14.4440 1.1509 1.1509 1.1509 1.1509 1.4401 1.4401 1.4401 1.4401 2.2287 2.2287 2.2287 2.2287 2.9885 2.9885 2.9885 2.9885 3.2347 3.2347 3.2347 3.2347 3.7894 3.7894 3.7894 3.7894 4.2693 4.2693 4.2693 4.2693 5.0847 5.0847 5.0847 5.0847 5.3383 5.3383 5.3383 5.3383 13.6513 13.6513 13.6513 13.6513 13.7756 13.7756 13.7756 13.7756 14.6766 14.6766 k = 0.5000-0.0000 0.3934 ( 3504 PWs) bands (ev): -15.5619 -15.5619 -15.5619 -15.5619 -15.3309 -15.3309 -15.3309 -15.3309 -14.4440 -14.4440 -14.4440 -14.4440 1.1509 1.1509 1.1509 1.1509 1.4401 1.4401 1.4401 1.4401 2.2287 2.2287 2.2287 2.2287 2.9885 2.9885 2.9885 2.9885 3.2347 3.2347 3.2347 3.2347 3.7894 3.7894 3.7894 3.7894 4.2693 4.2693 4.2693 4.2693 5.0847 5.0847 5.0847 5.0847 5.3383 5.3383 5.3383 5.3383 13.6513 13.6513 13.6513 13.6513 13.7756 13.7756 13.7756 13.7756 14.6766 14.6766 k = 0.5000 0.0126 0.3934 ( 3504 PWs) bands (ev): -15.5615 -15.5615 -15.5615 -15.5615 -15.3310 -15.3310 -15.3310 -15.3310 -14.4442 -14.4442 -14.4442 -14.4442 1.1529 1.1529 1.1529 1.1529 1.4402 1.4402 1.4402 1.4402 2.2282 2.2282 2.2282 2.2282 2.9884 2.9884 2.9884 2.9884 3.2334 3.2334 3.2334 3.2334 3.7893 3.7893 3.7893 3.7893 4.2700 4.2700 4.2700 4.2700 5.0846 5.0846 5.0846 5.0846 5.3391 5.3391 5.3391 5.3391 13.6513 13.6513 13.6513 13.6513 13.7753 13.7753 13.7753 13.7753 14.6765 14.6765 k = 0.5000 0.0253 0.3934 ( 3504 PWs) bands (ev): -15.5601 -15.5601 -15.5601 -15.5601 -15.3314 -15.3314 -15.3314 -15.3314 -14.4448 -14.4448 -14.4448 -14.4448 1.1587 1.1587 1.1587 1.1587 1.4404 1.4404 1.4404 1.4404 2.2266 2.2266 2.2266 2.2266 2.9883 2.9883 2.9883 2.9883 3.2296 3.2296 3.2296 3.2296 3.7891 3.7891 3.7891 3.7891 4.2721 4.2721 4.2721 4.2721 5.0843 5.0843 5.0843 5.0843 5.3417 5.3417 5.3417 5.3417 13.6514 13.6514 13.6514 13.6514 13.7746 13.7746 13.7746 13.7746 14.6760 14.6760 k = 0.5000 0.0379 0.3934 ( 3496 PWs) bands (ev): -15.5578 -15.5578 -15.5578 -15.5578 -15.3320 -15.3320 -15.3320 -15.3320 -14.4457 -14.4457 -14.4457 -14.4457 1.1685 1.1685 1.1685 1.1685 1.4406 1.4406 1.4406 1.4406 2.2242 2.2242 2.2242 2.2242 2.9880 2.9880 2.9880 2.9880 3.2232 3.2232 3.2232 3.2232 3.7887 3.7887 3.7887 3.7887 4.2754 4.2754 4.2754 4.2754 5.0839 5.0839 5.0839 5.0839 5.3459 5.3459 5.3459 5.3459 13.6515 13.6515 13.6515 13.6515 13.7733 13.7733 13.7733 13.7733 14.6753 14.6753 k = 0.5000 0.0506 0.3934 ( 3492 PWs) bands (ev): -15.5546 -15.5546 -15.5546 -15.5546 -15.3328 -15.3328 -15.3328 -15.3328 -14.4471 -14.4471 -14.4471 -14.4471 1.1821 1.1821 1.1821 1.1821 1.4408 1.4408 1.4408 1.4408 2.2210 2.2210 2.2210 2.2210 2.9878 2.9878 2.9878 2.9878 3.2145 3.2145 3.2146 3.2146 3.7881 3.7881 3.7881 3.7881 4.2800 4.2800 4.2800 4.2800 5.0833 5.0833 5.0833 5.0833 5.3516 5.3516 5.3516 5.3516 13.6516 13.6516 13.6516 13.6516 13.7717 13.7717 13.7717 13.7717 14.6742 14.6742 k = 0.5000 0.0632 0.3934 ( 3488 PWs) bands (ev): -15.5506 -15.5506 -15.5505 -15.5505 -15.3338 -15.3338 -15.3338 -15.3338 -14.4488 -14.4488 -14.4488 -14.4488 1.1995 1.1995 1.1995 1.1995 1.4406 1.4406 1.4407 1.4407 2.2173 2.2173 2.2173 2.2173 2.9875 2.9875 2.9875 2.9875 3.2037 3.2037 3.2037 3.2037 3.7872 3.7872 3.7872 3.7872 4.2855 4.2855 4.2855 4.2855 5.0824 5.0824 5.0824 5.0824 5.3588 5.3588 5.3588 5.3588 13.6516 13.6516 13.6516 13.6516 13.7697 13.7697 13.7697 13.7697 14.6727 14.6727 k = 0.5000 0.0759 0.3934 ( 3484 PWs) bands (ev): -15.5457 -15.5457 -15.5457 -15.5457 -15.3350 -15.3350 -15.3350 -15.3350 -14.4509 -14.4509 -14.4509 -14.4509 1.2207 1.2207 1.2207 1.2207 1.4401 1.4401 1.4401 1.4401 2.2134 2.2134 2.2134 2.2134 2.9874 2.9874 2.9874 2.9874 3.1909 3.1909 3.1909 3.1909 3.7861 3.7861 3.7861 3.7861 4.2917 4.2917 4.2917 4.2917 5.0814 5.0814 5.0814 5.0814 5.3672 5.3672 5.3672 5.3672 13.6515 13.6515 13.6515 13.6515 13.7674 13.7674 13.7674 13.7674 14.6709 14.6709 k = 0.5000 0.0885 0.3934 ( 3488 PWs) bands (ev): -15.5400 -15.5400 -15.5400 -15.5400 -15.3365 -15.3365 -15.3365 -15.3365 -14.4533 -14.4533 -14.4533 -14.4533 1.2454 1.2454 1.2454 1.2454 1.4387 1.4387 1.4387 1.4387 2.2098 2.2098 2.2098 2.2098 2.9875 2.9875 2.9875 2.9875 3.1763 3.1763 3.1763 3.1763 3.7846 3.7846 3.7846 3.7846 4.2985 4.2985 4.2985 4.2985 5.0802 5.0802 5.0802 5.0802 5.3767 5.3767 5.3768 5.3768 13.6512 13.6512 13.6512 13.6512 13.7649 13.7649 13.7649 13.7649 14.6686 14.6686 k = 0.5000 0.1012 0.3934 ( 3484 PWs) bands (ev): -15.5335 -15.5335 -15.5335 -15.5335 -15.3381 -15.3381 -15.3381 -15.3381 -14.4561 -14.4561 -14.4561 -14.4561 1.2737 1.2737 1.2737 1.2737 1.4364 1.4364 1.4364 1.4364 2.2068 2.2068 2.2068 2.2068 2.9878 2.9878 2.9878 2.9878 3.1603 3.1603 3.1603 3.1603 3.7826 3.7826 3.7826 3.7826 4.3055 4.3055 4.3055 4.3055 5.0789 5.0789 5.0789 5.0789 5.3872 5.3872 5.3872 5.3872 13.6504 13.6504 13.6504 13.6504 13.7624 13.7624 13.7624 13.7624 14.6656 14.6656 k = 0.5000 0.1138 0.3934 ( 3484 PWs) bands (ev): -15.5264 -15.5264 -15.5264 -15.5264 -15.3398 -15.3398 -15.3398 -15.3398 -14.4591 -14.4591 -14.4591 -14.4591 1.3053 1.3053 1.3053 1.3053 1.4328 1.4328 1.4328 1.4328 2.2048 2.2048 2.2048 2.2048 2.9883 2.9883 2.9883 2.9883 3.1432 3.1432 3.1432 3.1432 3.7803 3.7803 3.7803 3.7803 4.3126 4.3126 4.3126 4.3126 5.0773 5.0773 5.0773 5.0773 5.3982 5.3982 5.3982 5.3982 13.6492 13.6492 13.6492 13.6492 13.7600 13.7600 13.7600 13.7600 14.6615 14.6615 k = 0.5000 0.1265 0.3934 ( 3484 PWs) bands (ev): -15.5186 -15.5186 -15.5186 -15.5186 -15.3417 -15.3417 -15.3417 -15.3417 -14.4624 -14.4624 -14.4624 -14.4624 1.3401 1.3401 1.3401 1.3401 1.4278 1.4278 1.4278 1.4278 2.2044 2.2044 2.2044 2.2044 2.9889 2.9889 2.9889 2.9889 3.1255 3.1255 3.1255 3.1255 3.7775 3.7775 3.7775 3.7775 4.3194 4.3194 4.3194 4.3194 5.0755 5.0755 5.0755 5.0755 5.4098 5.4098 5.4098 5.4098 13.6473 13.6473 13.6473 13.6473 13.7577 13.7577 13.7577 13.7577 14.6555 14.6555 k = 0.5000 0.1391 0.3934 ( 3476 PWs) bands (ev): -15.5103 -15.5103 -15.5103 -15.5103 -15.3437 -15.3437 -15.3437 -15.3437 -14.4660 -14.4660 -14.4660 -14.4660 1.3771 1.3771 1.3771 1.3771 1.4218 1.4218 1.4218 1.4218 2.2059 2.2059 2.2059 2.2059 2.9894 2.9894 2.9894 2.9894 3.1075 3.1075 3.1075 3.1075 3.7743 3.7743 3.7743 3.7743 4.3257 4.3257 4.3257 4.3257 5.0735 5.0735 5.0735 5.0735 5.4215 5.4215 5.4215 5.4215 13.6447 13.6447 13.6447 13.6447 13.7559 13.7559 13.7559 13.7559 14.6458 14.6458 k = 0.5000 0.1518 0.3934 ( 3472 PWs) bands (ev): -15.5015 -15.5015 -15.5015 -15.5015 -15.3458 -15.3458 -15.3458 -15.3458 -14.4697 -14.4697 -14.4697 -14.4697 1.4040 1.4040 1.4040 1.4040 1.4269 1.4269 1.4269 1.4269 2.2096 2.2096 2.2096 2.2096 2.9893 2.9893 2.9893 2.9893 3.0902 3.0902 3.0902 3.0902 3.7705 3.7705 3.7705 3.7705 4.3313 4.3313 4.3313 4.3313 5.0712 5.0712 5.0712 5.0712 5.4332 5.4332 5.4332 5.4332 13.6413 13.6413 13.6413 13.6413 13.7544 13.7544 13.7544 13.7544 14.6286 14.6286 k = 0.5000 0.1644 0.3934 ( 3468 PWs) bands (ev): -15.4923 -15.4923 -15.4923 -15.4923 -15.3479 -15.3479 -15.3479 -15.3479 -14.4737 -14.4737 -14.4737 -14.4737 1.3971 1.3971 1.3971 1.3971 1.4664 1.4664 1.4664 1.4664 2.2159 2.2159 2.2159 2.2159 2.9876 2.9876 2.9876 2.9876 3.0745 3.0745 3.0745 3.0745 3.7662 3.7662 3.7662 3.7662 4.3360 4.3360 4.3360 4.3360 5.0687 5.0687 5.0687 5.0687 5.4446 5.4446 5.4446 5.4446 13.6369 13.6369 13.6369 13.6369 13.7535 13.7535 13.7535 13.7535 14.5978 14.5978 k = 0.5000 0.1771 0.3934 ( 3476 PWs) bands (ev): -15.4828 -15.4828 -15.4828 -15.4828 -15.3500 -15.3500 -15.3500 -15.3500 -14.4778 -14.4778 -14.4778 -14.4778 1.3840 1.3840 1.3840 1.3840 1.5123 1.5123 1.5123 1.5123 2.2250 2.2250 2.2250 2.2250 2.9829 2.9829 2.9829 2.9829 3.0623 3.0623 3.0623 3.0623 3.7615 3.7615 3.7615 3.7615 4.3397 4.3397 4.3397 4.3397 5.0659 5.0659 5.0659 5.0659 5.4556 5.4556 5.4556 5.4556 13.6315 13.6315 13.6315 13.6315 13.7532 13.7532 13.7532 13.7532 14.5498 14.5498 k = 0.5000 0.1897 0.3934 ( 3476 PWs) bands (ev): -15.4731 -15.4731 -15.4731 -15.4731 -15.3519 -15.3519 -15.3519 -15.3519 -14.4820 -14.4820 -14.4820 -14.4820 1.3684 1.3684 1.3684 1.3684 1.5611 1.5611 1.5612 1.5612 2.2368 2.2368 2.2368 2.2368 2.9740 2.9740 2.9740 2.9740 3.0550 3.0550 3.0550 3.0550 3.7562 3.7562 3.7562 3.7562 4.3421 4.3421 4.3421 4.3421 5.0628 5.0628 5.0628 5.0628 5.4659 5.4659 5.4659 5.4659 13.6252 13.6252 13.6252 13.6252 13.7532 13.7532 13.7532 13.7532 14.4887 14.4887 k = 0.5000 0.2024 0.3934 ( 3484 PWs) bands (ev): -15.4635 -15.4635 -15.4635 -15.4635 -15.3537 -15.3537 -15.3537 -15.3537 -14.4863 -14.4863 -14.4863 -14.4863 1.3506 1.3506 1.3506 1.3506 1.6122 1.6122 1.6122 1.6122 2.2515 2.2515 2.2515 2.2515 2.9607 2.9607 2.9607 2.9607 3.0528 3.0528 3.0528 3.0528 3.7504 3.7504 3.7504 3.7504 4.3432 4.3432 4.3432 4.3432 5.0593 5.0593 5.0593 5.0593 5.4752 5.4752 5.4752 5.4752 13.6181 13.6181 13.6181 13.6181 13.7537 13.7537 13.7537 13.7537 14.4208 14.4208 k = 0.5000 0.2150 0.3934 ( 3488 PWs) bands (ev): -15.4541 -15.4541 -15.4541 -15.4541 -15.3550 -15.3550 -15.3550 -15.3550 -14.4907 -14.4907 -14.4907 -14.4907 1.3310 1.3310 1.3310 1.3310 1.6653 1.6653 1.6653 1.6653 2.2688 2.2688 2.2688 2.2688 2.9445 2.9445 2.9445 2.9445 3.0546 3.0546 3.0546 3.0546 3.7442 3.7442 3.7442 3.7442 4.3429 4.3429 4.3429 4.3429 5.0556 5.0556 5.0556 5.0556 5.4836 5.4836 5.4836 5.4836 13.6102 13.6102 13.6102 13.6102 13.7544 13.7544 13.7544 13.7544 14.3501 14.3501 k = 0.5000 0.2277 0.3934 ( 3484 PWs) bands (ev): -15.4450 -15.4450 -15.4450 -15.4450 -15.3559 -15.3559 -15.3559 -15.3559 -14.4951 -14.4951 -14.4951 -14.4951 1.3098 1.3098 1.3098 1.3098 1.7199 1.7199 1.7199 1.7199 2.2886 2.2886 2.2886 2.2886 2.9266 2.9266 2.9266 2.9266 3.0591 3.0591 3.0591 3.0591 3.7375 3.7375 3.7375 3.7375 4.3411 4.3411 4.3411 4.3411 5.0515 5.0515 5.0515 5.0515 5.4907 5.4907 5.4907 5.4907 13.6017 13.6017 13.6017 13.6017 13.7552 13.7552 13.7552 13.7552 14.2788 14.2788 k = 0.5000 0.2403 0.3934 ( 3484 PWs) bands (ev): -15.4367 -15.4367 -15.4367 -15.4367 -15.3559 -15.3559 -15.3559 -15.3559 -14.4995 -14.4995 -14.4994 -14.4994 1.2873 1.2873 1.2873 1.2873 1.7759 1.7759 1.7759 1.7759 2.3106 2.3106 2.3106 2.3106 2.9082 2.9082 2.9082 2.9082 3.0656 3.0656 3.0656 3.0656 3.7304 3.7304 3.7304 3.7304 4.3378 4.3378 4.3378 4.3378 5.0470 5.0470 5.0470 5.0470 5.4965 5.4965 5.4965 5.4965 13.5925 13.5925 13.5925 13.5925 13.7558 13.7558 13.7558 13.7558 14.2084 14.2084 k = 0.5000 0.2530 0.3934 ( 3476 PWs) bands (ev): -15.4295 -15.4295 -15.4295 -15.4295 -15.3549 -15.3549 -15.3549 -15.3549 -14.5038 -14.5038 -14.5038 -14.5038 1.2639 1.2639 1.2639 1.2639 1.8328 1.8328 1.8328 1.8328 2.3346 2.3346 2.3346 2.3346 2.8898 2.8898 2.8898 2.8898 3.0734 3.0734 3.0734 3.0734 3.7229 3.7229 3.7229 3.7229 4.3331 4.3331 4.3331 4.3331 5.0422 5.0422 5.0422 5.0422 5.5009 5.5009 5.5009 5.5009 13.5830 13.5830 13.5830 13.5830 13.7559 13.7559 13.7559 13.7559 14.1398 14.1398 k = 0.5000 0.2656 0.3934 ( 3476 PWs) bands (ev): -15.4237 -15.4237 -15.4237 -15.4237 -15.3526 -15.3526 -15.3526 -15.3526 -14.5081 -14.5081 -14.5081 -14.5081 1.2399 1.2399 1.2399 1.2399 1.8904 1.8904 1.8904 1.8904 2.3601 2.3601 2.3601 2.3601 2.8718 2.8718 2.8718 2.8718 3.0824 3.0824 3.0824 3.0824 3.7149 3.7149 3.7149 3.7149 4.3268 4.3268 4.3268 4.3268 5.0371 5.0371 5.0371 5.0371 5.5037 5.5037 5.5037 5.5037 13.5730 13.5730 13.5730 13.5730 13.7552 13.7552 13.7552 13.7552 14.0741 14.0741 k = 0.5000 0.2783 0.3934 ( 3472 PWs) bands (ev): -15.4194 -15.4194 -15.4194 -15.4194 -15.3487 -15.3487 -15.3487 -15.3487 -14.5123 -14.5123 -14.5123 -14.5123 1.2156 1.2156 1.2156 1.2156 1.9481 1.9481 1.9481 1.9481 2.3869 2.3869 2.3869 2.3869 2.8547 2.8547 2.8547 2.8547 3.0922 3.0922 3.0922 3.0922 3.7066 3.7066 3.7066 3.7066 4.3192 4.3192 4.3192 4.3192 5.0317 5.0317 5.0317 5.0317 5.5051 5.5051 5.5051 5.5051 13.5628 13.5628 13.5628 13.5628 13.7530 13.7530 13.7530 13.7530 14.0124 14.0124 k = 0.5000 0.2909 0.3934 ( 3460 PWs) bands (ev): -15.4168 -15.4168 -15.4168 -15.4168 -15.3435 -15.3435 -15.3435 -15.3435 -14.5164 -14.5164 -14.5164 -14.5164 1.1914 1.1914 1.1914 1.1914 2.0055 2.0055 2.0055 2.0055 2.4145 2.4145 2.4145 2.4145 2.8387 2.8387 2.8387 2.8387 3.1029 3.1029 3.1029 3.1029 3.6979 3.6979 3.6979 3.6979 4.3101 4.3101 4.3101 4.3101 5.0260 5.0260 5.0260 5.0260 5.5050 5.5050 5.5050 5.5050 13.5523 13.5523 13.5523 13.5523 13.7480 13.7480 13.7480 13.7480 13.9563 13.9563 k = 0.5000 0.3036 0.3934 ( 3464 PWs) bands (ev): -15.4155 -15.4155 -15.4155 -15.4155 -15.3371 -15.3371 -15.3371 -15.3371 -14.5203 -14.5203 -14.5203 -14.5203 1.1674 1.1674 1.1674 1.1674 2.0622 2.0622 2.0622 2.0622 2.4426 2.4426 2.4426 2.4426 2.8241 2.8241 2.8241 2.8241 3.1142 3.1142 3.1142 3.1142 3.6888 3.6888 3.6888 3.6888 4.2998 4.2998 4.2998 4.2998 5.0200 5.0200 5.0200 5.0200 5.5034 5.5034 5.5034 5.5034 13.5415 13.5415 13.5415 13.5415 13.7385 13.7385 13.7385 13.7385 13.9080 13.9080 k = 0.5000 0.3162 0.3934 ( 3472 PWs) bands (ev): -15.4152 -15.4152 -15.4152 -15.4152 -15.3300 -15.3300 -15.3300 -15.3300 -14.5241 -14.5241 -14.5241 -14.5241 1.1440 1.1440 1.1440 1.1440 2.1175 2.1175 2.1175 2.1175 2.4709 2.4709 2.4709 2.4709 2.8110 2.8110 2.8110 2.8110 3.1261 3.1261 3.1261 3.1261 3.6795 3.6795 3.6795 3.6795 4.2884 4.2884 4.2884 4.2884 5.0140 5.0140 5.0140 5.0140 5.5005 5.5005 5.5005 5.5005 13.5305 13.5305 13.5305 13.5305 13.7217 13.7217 13.7217 13.7217 13.8705 13.8705 k = 0.5000 0.3289 0.3934 ( 3472 PWs) bands (ev): -15.4157 -15.4157 -15.4157 -15.4157 -15.3225 -15.3225 -15.3225 -15.3225 -14.5277 -14.5277 -14.5277 -14.5277 1.1215 1.1215 1.1215 1.1215 2.1709 2.1709 2.1709 2.1709 2.4988 2.4988 2.4988 2.4988 2.7999 2.7999 2.7999 2.7999 3.1385 3.1385 3.1385 3.1385 3.6699 3.6699 3.6699 3.6699 4.2760 4.2760 4.2760 4.2760 5.0078 5.0078 5.0078 5.0078 5.4963 5.4963 5.4964 5.4964 13.5192 13.5192 13.5192 13.5192 13.6965 13.6965 13.6965 13.6965 13.8454 13.8454 k = 0.5000 0.3415 0.3934 ( 3464 PWs) bands (ev): -15.4167 -15.4167 -15.4167 -15.4167 -15.3149 -15.3149 -15.3149 -15.3149 -14.5310 -14.5310 -14.5310 -14.5310 1.1000 1.1000 1.1000 1.1000 2.2218 2.2218 2.2218 2.2218 2.5261 2.5261 2.5261 2.5261 2.7909 2.7909 2.7909 2.7909 3.1513 3.1513 3.1513 3.1513 3.6601 3.6601 3.6601 3.6601 4.2629 4.2629 4.2629 4.2629 5.0017 5.0017 5.0017 5.0017 5.4912 5.4912 5.4912 5.4912 13.5075 13.5075 13.5075 13.5075 13.6654 13.6654 13.6654 13.6654 13.8307 13.8307 k = 0.5000 0.3542 0.3934 ( 3468 PWs) bands (ev): -15.4179 -15.4179 -15.4179 -15.4179 -15.3074 -15.3074 -15.3074 -15.3074 -14.5342 -14.5342 -14.5342 -14.5342 1.0797 1.0797 1.0797 1.0797 2.2692 2.2692 2.2692 2.2692 2.5523 2.5523 2.5523 2.5523 2.7843 2.7843 2.7843 2.7843 3.1644 3.1644 3.1644 3.1644 3.6501 3.6501 3.6501 3.6501 4.2491 4.2491 4.2491 4.2491 4.9957 4.9957 4.9957 4.9957 5.4851 5.4851 5.4851 5.4851 13.4949 13.4949 13.4949 13.4949 13.6328 13.6328 13.6328 13.6328 13.8225 13.8225 k = 0.5000 0.3668 0.3934 ( 3468 PWs) bands (ev): -15.4193 -15.4193 -15.4193 -15.4193 -15.3002 -15.3002 -15.3002 -15.3002 -14.5371 -14.5371 -14.5371 -14.5371 1.0609 1.0609 1.0609 1.0609 2.3126 2.3126 2.3126 2.3126 2.5772 2.5772 2.5772 2.5772 2.7804 2.7804 2.7804 2.7804 3.1776 3.1776 3.1776 3.1776 3.6401 3.6401 3.6401 3.6401 4.2351 4.2351 4.2351 4.2351 4.9899 4.9899 4.9899 4.9899 5.4784 5.4784 5.4784 5.4784 13.4813 13.4813 13.4813 13.4813 13.6020 13.6020 13.6020 13.6020 13.8178 13.8178 k = 0.5000 0.3795 0.3934 ( 3472 PWs) bands (ev): -15.4207 -15.4207 -15.4207 -15.4207 -15.2935 -15.2935 -15.2935 -15.2935 -14.5397 -14.5397 -14.5397 -14.5397 1.0436 1.0436 1.0436 1.0436 2.3512 2.3512 2.3512 2.3512 2.6005 2.6005 2.6005 2.6005 2.7794 2.7794 2.7794 2.7794 3.1906 3.1906 3.1906 3.1906 3.6303 3.6303 3.6303 3.6303 4.2210 4.2210 4.2210 4.2210 4.9843 4.9843 4.9843 4.9843 5.4714 5.4714 5.4714 5.4714 13.4663 13.4663 13.4663 13.4663 13.5753 13.5753 13.5753 13.5753 13.8151 13.8151 k = 0.5000 0.3921 0.3934 ( 3468 PWs) bands (ev): -15.4221 -15.4221 -15.4221 -15.4221 -15.2873 -15.2873 -15.2873 -15.2873 -14.5421 -14.5421 -14.5421 -14.5421 1.0280 1.0280 1.0280 1.0280 2.3845 2.3845 2.3845 2.3845 2.6218 2.6218 2.6218 2.6218 2.7812 2.7812 2.7812 2.7812 3.2034 3.2034 3.2034 3.2034 3.6206 3.6206 3.6206 3.6206 4.2073 4.2073 4.2073 4.2073 4.9792 4.9792 4.9792 4.9792 5.4643 5.4643 5.4643 5.4643 13.4501 13.4501 13.4501 13.4501 13.5536 13.5536 13.5536 13.5536 13.8135 13.8135 k = 0.5000 0.4048 0.3934 ( 3464 PWs) bands (ev): -15.4234 -15.4234 -15.4234 -15.4234 -15.2818 -15.2818 -15.2818 -15.2818 -14.5441 -14.5441 -14.5441 -14.5441 1.0143 1.0143 1.0143 1.0143 2.4121 2.4121 2.4121 2.4121 2.6409 2.6409 2.6409 2.6409 2.7857 2.7857 2.7857 2.7857 3.2155 3.2155 3.2155 3.2155 3.6114 3.6114 3.6114 3.6114 4.1943 4.1943 4.1943 4.1943 4.9746 4.9746 4.9746 4.9746 5.4574 5.4574 5.4574 5.4574 13.4332 13.4332 13.4332 13.4332 13.5369 13.5369 13.5369 13.5369 13.8126 13.8126 k = 0.5000 0.4174 0.3934 ( 3464 PWs) bands (ev): -15.4246 -15.4246 -15.4246 -15.4246 -15.2771 -15.2771 -15.2771 -15.2771 -14.5459 -14.5459 -14.5459 -14.5459 1.0025 1.0025 1.0025 1.0025 2.4340 2.4340 2.4340 2.4340 2.6574 2.6574 2.6574 2.6574 2.7922 2.7922 2.7922 2.7922 3.2267 3.2267 3.2267 3.2267 3.6030 3.6030 3.6030 3.6030 4.1824 4.1824 4.1824 4.1824 4.9705 4.9705 4.9705 4.9705 5.4509 5.4509 5.4509 5.4509 13.4168 13.4168 13.4168 13.4168 13.5244 13.5244 13.5244 13.5244 13.8120 13.8120 k = 0.5000 0.4301 0.3934 ( 3452 PWs) bands (ev): -15.4256 -15.4256 -15.4256 -15.4256 -15.2731 -15.2731 -15.2731 -15.2731 -14.5473 -14.5473 -14.5473 -14.5473 0.9927 0.9927 0.9927 0.9927 2.4507 2.4507 2.4507 2.4507 2.6713 2.6713 2.6713 2.6713 2.7998 2.7998 2.7998 2.7998 3.2365 3.2365 3.2365 3.2365 3.5954 3.5954 3.5954 3.5954 4.1719 4.1719 4.1719 4.1719 4.9670 4.9670 4.9670 4.9670 5.4452 5.4452 5.4452 5.4452 13.4021 13.4021 13.4021 13.4021 13.5152 13.5152 13.5152 13.5152 13.8116 13.8116 k = 0.5000 0.4427 0.3934 ( 3456 PWs) bands (ev): -15.4264 -15.4264 -15.4264 -15.4264 -15.2700 -15.2700 -15.2700 -15.2700 -14.5485 -14.5485 -14.5485 -14.5485 0.9851 0.9851 0.9851 0.9851 2.4626 2.4626 2.4626 2.4626 2.6823 2.6823 2.6823 2.6823 2.8073 2.8073 2.8073 2.8073 3.2446 3.2446 3.2446 3.2446 3.5892 3.5892 3.5892 3.5892 4.1633 4.1633 4.1633 4.1633 4.9642 4.9642 4.9642 4.9642 5.4405 5.4405 5.4405 5.4405 13.3900 13.3900 13.3900 13.3900 13.5086 13.5086 13.5086 13.5086 13.8113 13.8113 k = 0.5000 0.4554 0.3934 ( 3460 PWs) bands (ev): -15.4269 -15.4269 -15.4269 -15.4269 -15.2677 -15.2677 -15.2677 -15.2677 -14.5493 -14.5493 -14.5493 -14.5493 0.9796 0.9796 0.9796 0.9796 2.4706 2.4706 2.4706 2.4706 2.6902 2.6902 2.6902 2.6902 2.8137 2.8137 2.8137 2.8137 3.2507 3.2507 3.2507 3.2507 3.5844 3.5844 3.5844 3.5844 4.1569 4.1569 4.1569 4.1569 4.9622 4.9622 4.9622 4.9622 5.4370 5.4370 5.4370 5.4370 13.3809 13.3809 13.3809 13.3809 13.5042 13.5042 13.5042 13.5042 13.8112 13.8112 k = 0.5000 0.4680 0.3934 ( 3468 PWs) bands (ev): -15.4273 -15.4273 -15.4273 -15.4273 -15.2664 -15.2664 -15.2664 -15.2664 -14.5498 -14.5498 -14.5498 -14.5498 0.9762 0.9762 0.9762 0.9762 2.4751 2.4751 2.4751 2.4751 2.6949 2.6949 2.6949 2.6949 2.8180 2.8180 2.8180 2.8180 3.2545 3.2545 3.2545 3.2545 3.5815 3.5815 3.5815 3.5815 4.1529 4.1529 4.1529 4.1529 4.9610 4.9610 4.9610 4.9610 5.4348 5.4348 5.4348 5.4348 13.3754 13.3754 13.3754 13.3754 13.5016 13.5016 13.5016 13.5016 13.8111 13.8111 k = 0.5000 0.4807 0.3934 ( 3464 PWs) bands (ev): -15.4274 -15.4274 -15.4274 -15.4274 -15.2659 -15.2659 -15.2659 -15.2659 -14.5500 -14.5500 -14.5499 -14.5499 0.9751 0.9751 0.9751 0.9751 2.4766 2.4766 2.4766 2.4766 2.6965 2.6965 2.6965 2.6965 2.8195 2.8195 2.8195 2.8195 3.2558 3.2558 3.2558 3.2558 3.5805 3.5805 3.5805 3.5805 4.1516 4.1516 4.1516 4.1516 4.9606 4.9606 4.9606 4.9606 5.4341 5.4341 5.4341 5.4341 13.3735 13.3735 13.3735 13.3735 13.5008 13.5008 13.5008 13.5008 13.8111 13.8111 k = 0.5000 0.4807 0.3934 ( 3464 PWs) bands (ev): -15.4274 -15.4274 -15.4274 -15.4274 -15.2659 -15.2659 -15.2659 -15.2659 -14.5500 -14.5500 -14.5499 -14.5499 0.9751 0.9751 0.9751 0.9751 2.4766 2.4766 2.4766 2.4766 2.6965 2.6965 2.6965 2.6965 2.8195 2.8195 2.8195 2.8195 3.2558 3.2558 3.2558 3.2558 3.5805 3.5805 3.5805 3.5805 4.1516 4.1516 4.1516 4.1516 4.9606 4.9606 4.9606 4.9606 5.4341 5.4341 5.4341 5.4341 13.3735 13.3735 13.3735 13.3735 13.5008 13.5008 13.5008 13.5008 13.8111 13.8111 k = 0.4872 0.4807 0.3934 ( 3464 PWs) bands (ev): -15.4286 -15.4285 -15.4280 -15.4280 -15.2664 -15.2664 -15.2651 -15.2651 -14.5498 -14.5498 -14.5495 -14.5495 0.9758 0.9758 0.9761 0.9761 2.4637 2.4637 2.4754 2.4755 2.6861 2.6861 2.7149 2.7149 2.8112 2.8112 2.8219 2.8219 3.2570 3.2570 3.2589 3.2589 3.5778 3.5778 3.5800 3.5800 4.1536 4.1536 4.1554 4.1554 4.9585 4.9585 4.9607 4.9607 5.4347 5.4347 5.4349 5.4349 13.3672 13.3672 13.3756 13.3756 13.4994 13.4994 13.5043 13.5043 13.8093 13.8093 k = 0.4744 0.4807 0.3934 ( 3472 PWs) bands (ev): -15.4314 -15.4314 -15.4303 -15.4303 -15.2663 -15.2663 -15.2638 -15.2638 -14.5492 -14.5492 -14.5486 -14.5486 0.9782 0.9782 0.9788 0.9788 2.4402 2.4402 2.4594 2.4595 2.6836 2.6836 2.7377 2.7377 2.7973 2.7973 2.8195 2.8195 3.2625 3.2625 3.2661 3.2661 3.5723 3.5723 3.5765 3.5766 4.1614 4.1614 4.1649 4.1649 4.9546 4.9546 4.9590 4.9590 5.4366 5.4366 5.4370 5.4370 13.3570 13.3570 13.3737 13.3737 13.5007 13.5007 13.5093 13.5093 13.8172 13.8172 k = 0.4615 0.4807 0.3934 ( 3472 PWs) bands (ev): -15.4358 -15.4358 -15.4344 -15.4344 -15.2658 -15.2658 -15.2621 -15.2621 -14.5480 -14.5480 -14.5471 -14.5471 0.9822 0.9822 0.9831 0.9831 2.4093 2.4093 2.4314 2.4314 2.6849 2.6849 2.7578 2.7578 2.7825 2.7825 2.8143 2.8143 3.2715 3.2715 3.2767 3.2767 3.5649 3.5649 3.5705 3.5705 4.1745 4.1745 4.1794 4.1794 4.9489 4.9489 4.9555 4.9555 5.4397 5.4397 5.4403 5.4403 13.3441 13.3441 13.3688 13.3688 13.5049 13.5049 13.5154 13.5154 13.8343 13.8343 k = 0.4487 0.4807 0.3934 ( 3472 PWs) bands (ev): -15.4419 -15.4419 -15.4402 -15.4402 -15.2647 -15.2647 -15.2600 -15.2600 -14.5462 -14.5462 -14.5450 -14.5450 0.9878 0.9878 0.9891 0.9891 2.3732 2.3732 2.3950 2.3950 2.6836 2.6836 2.7448 2.7448 2.7957 2.7957 2.8099 2.8099 3.2833 3.2833 3.2896 3.2896 3.5564 3.5564 3.5627 3.5627 4.1919 4.1919 4.1982 4.1982 4.9418 4.9418 4.9504 4.9504 5.4438 5.4438 5.4446 5.4446 13.3297 13.3297 13.3617 13.3617 13.5118 13.5118 13.5227 13.5227 13.8595 13.8595 k = 0.4359 0.4807 0.3934 ( 3480 PWs) bands (ev): -15.4496 -15.4496 -15.4479 -15.4479 -15.2630 -15.2630 -15.2575 -15.2575 -14.5440 -14.5439 -14.5425 -14.5425 0.9950 0.9950 0.9966 0.9966 2.3333 2.3333 2.3533 2.3533 2.6740 2.6740 2.7152 2.7152 2.8100 2.8100 2.8203 2.8203 3.2969 3.2969 3.3035 3.3035 3.5482 3.5482 3.5542 3.5542 4.2129 4.2129 4.2202 4.2202 4.9335 4.9335 4.9441 4.9441 5.4485 5.4485 5.4495 5.4495 13.3151 13.3151 13.3537 13.3537 13.5214 13.5214 13.5314 13.5314 13.8912 13.8912 k = 0.4231 0.4807 0.3934 ( 3484 PWs) bands (ev): -15.4590 -15.4590 -15.4573 -15.4573 -15.2607 -15.2607 -15.2545 -15.2545 -14.5412 -14.5412 -14.5395 -14.5395 1.0036 1.0036 1.0055 1.0055 2.2906 2.2906 2.3081 2.3081 2.6541 2.6541 2.6802 2.6802 2.8161 2.8161 2.8449 2.8449 3.3113 3.3113 3.3171 3.3171 3.5414 3.5414 3.5459 3.5459 4.2365 4.2365 4.2447 4.2447 4.9242 4.9242 4.9367 4.9367 5.4536 5.4536 5.4548 5.4548 13.3012 13.3012 13.3454 13.3454 13.5333 13.5333 13.5421 13.5421 13.9281 13.9281 k = 0.4103 0.4807 0.3934 ( 3480 PWs) bands (ev): -15.4699 -15.4699 -15.4684 -15.4684 -15.2577 -15.2577 -15.2511 -15.2511 -14.5379 -14.5379 -14.5359 -14.5359 1.0135 1.0135 1.0157 1.0157 2.2458 2.2458 2.2605 2.2605 2.6252 2.6252 2.6412 2.6412 2.8270 2.8270 2.8686 2.8686 3.3254 3.3254 3.3291 3.3291 3.5375 3.5375 3.5390 3.5390 4.2618 4.2618 4.2708 4.2708 4.9144 4.9144 4.9287 4.9287 5.4587 5.4587 5.4601 5.4601 13.2889 13.2889 13.3378 13.3378 13.5475 13.5475 13.5549 13.5549 13.9690 13.9690 k = 0.3974 0.4807 0.3934 ( 3484 PWs) bands (ev): -15.4824 -15.4824 -15.4812 -15.4812 -15.2541 -15.2541 -15.2472 -15.2472 -14.5341 -14.5341 -14.5319 -14.5319 1.0247 1.0247 1.0272 1.0272 2.1993 2.1993 2.2113 2.2113 2.5894 2.5894 2.5989 2.5989 2.8407 2.8407 2.8914 2.8914 3.3380 3.3380 3.3382 3.3382 3.5345 3.5345 3.5373 3.5373 4.2881 4.2881 4.2977 4.2977 4.9041 4.9041 4.9201 4.9202 5.4636 5.4636 5.4652 5.4652 13.2786 13.2786 13.3315 13.3315 13.5639 13.5639 13.5699 13.5699 14.0127 14.0127 k = 0.3846 0.4807 0.3934 ( 3492 PWs) bands (ev): -15.4963 -15.4963 -15.4955 -15.4955 -15.2500 -15.2500 -15.2429 -15.2429 -14.5298 -14.5298 -14.5275 -14.5275 1.0369 1.0369 1.0397 1.0397 2.1517 2.1517 2.1611 2.1611 2.5485 2.5485 2.5538 2.5538 2.8560 2.8560 2.9133 2.9133 3.3437 3.3437 3.3482 3.3482 3.5332 3.5332 3.5417 3.5417 4.3148 4.3148 4.3249 4.3249 4.8938 4.8938 4.9114 4.9114 5.4680 5.4680 5.4699 5.4699 13.2706 13.2706 13.3268 13.3268 13.5824 13.5824 13.5874 13.5874 14.0585 14.0585 k = 0.3718 0.4807 0.3934 ( 3492 PWs) bands (ev): -15.5116 -15.5116 -15.5113 -15.5113 -15.2453 -15.2453 -15.2381 -15.2381 -14.5251 -14.5251 -14.5226 -14.5226 1.0501 1.0501 1.0531 1.0531 2.1033 2.1033 2.1104 2.1104 2.5038 2.5038 2.5063 2.5063 2.8722 2.8722 2.9343 2.9343 3.3455 3.3455 3.3552 3.3552 3.5359 3.5359 3.5505 3.5505 4.3412 4.3412 4.3517 4.3517 4.8835 4.8835 4.9025 4.9025 5.4719 5.4719 5.4739 5.4739 13.2652 13.2652 13.3242 13.3242 13.6030 13.6030 13.6073 13.6073 14.1055 14.1055 k = 0.3590 0.4807 0.3934 ( 3492 PWs) bands (ev): -15.5285 -15.5285 -15.5282 -15.5282 -15.2400 -15.2400 -15.2329 -15.2329 -14.5200 -14.5200 -14.5173 -14.5173 1.0638 1.0638 1.0671 1.0671 2.0545 2.0545 2.0595 2.0595 2.4563 2.4563 2.4571 2.4571 2.8891 2.8891 2.9548 2.9548 3.3440 3.3440 3.3587 3.3587 3.5426 3.5426 3.5629 3.5629 4.3669 4.3669 4.3777 4.3777 4.8734 4.8734 4.8937 4.8937 5.4749 5.4749 5.4772 5.4772 13.2625 13.2625 13.3237 13.3237 13.6255 13.6255 13.6296 13.6296 14.1533 14.1533 k = 0.3462 0.4807 0.3934 ( 3492 PWs) bands (ev): -15.5468 -15.5468 -15.5460 -15.5460 -15.2343 -15.2343 -15.2272 -15.2272 -14.5145 -14.5145 -14.5117 -14.5117 1.0780 1.0780 1.0814 1.0814 2.0056 2.0056 2.0088 2.0088 2.4066 2.4066 2.4068 2.4068 2.9065 2.9065 2.9749 2.9749 3.3401 3.3401 3.3592 3.3592 3.5527 3.5527 3.5781 3.5781 4.3914 4.3914 4.4025 4.4025 4.8636 4.8636 4.8851 4.8851 5.4771 5.4771 5.4796 5.4796 13.2626 13.2626 13.3256 13.3256 13.6500 13.6500 13.6543 13.6543 14.2012 14.2012 k = 0.3333 0.4807 0.3934 ( 3492 PWs) bands (ev): -15.5663 -15.5663 -15.5649 -15.5649 -15.2282 -15.2282 -15.2212 -15.2212 -14.5087 -14.5087 -14.5057 -14.5057 1.0924 1.0924 1.0960 1.0960 1.9570 1.9570 1.9586 1.9586 2.3553 2.3553 2.3560 2.3560 2.9244 2.9244 2.9947 2.9947 3.3345 3.3345 3.3573 3.3573 3.5654 3.5654 3.5949 3.5949 4.4143 4.4143 4.4256 4.4256 4.8542 4.8542 4.8768 4.8768 5.4785 5.4785 5.4811 5.4811 13.2654 13.2654 13.3299 13.3299 13.6763 13.6763 13.6813 13.6813 14.2485 14.2485 k = 0.3205 0.4807 0.3934 ( 3488 PWs) bands (ev): -15.5867 -15.5867 -15.5847 -15.5847 -15.2217 -15.2217 -15.2149 -15.2149 -14.5025 -14.5025 -14.4994 -14.4994 1.1066 1.1066 1.1103 1.1103 1.9087 1.9088 1.9091 1.9091 2.3039 2.3039 2.3048 2.3048 2.9430 2.9430 3.0144 3.0144 3.3280 3.3280 3.3538 3.3538 3.5797 3.5797 3.6127 3.6127 4.4354 4.4354 4.4467 4.4467 4.8452 4.8452 4.8687 4.8687 5.4790 5.4790 5.4818 5.4818 13.2708 13.2708 13.3365 13.3365 13.7042 13.7042 13.7106 13.7106 14.2949 14.2949 k = 0.3077 0.4807 0.3934 ( 3484 PWs) bands (ev): -15.6078 -15.6078 -15.6054 -15.6054 -15.2149 -15.2149 -15.2083 -15.2083 -14.4960 -14.4960 -14.4929 -14.4929 1.1204 1.1204 1.1240 1.1240 1.8605 1.8605 1.8612 1.8612 2.2529 2.2529 2.2537 2.2537 2.9620 2.9620 3.0340 3.0340 3.3210 3.3210 3.3494 3.3494 3.5949 3.5949 3.6308 3.6308 4.4541 4.4541 4.4654 4.4654 4.8367 4.8367 4.8610 4.8610 5.4788 5.4788 5.4817 5.4817 13.2789 13.2789 13.3453 13.3453 13.7337 13.7337 13.7418 13.7418 14.3396 14.3396 k = 0.2949 0.4807 0.3934 ( 3492 PWs) bands (ev): -15.6296 -15.6296 -15.6267 -15.6267 -15.2078 -15.2078 -15.2015 -15.2015 -14.4893 -14.4893 -14.4861 -14.4861 1.1332 1.1332 1.1368 1.1368 1.8130 1.8130 1.8145 1.8145 2.2029 2.2029 2.2035 2.2035 2.9817 2.9817 3.0536 3.0536 3.3138 3.3138 3.3448 3.3448 3.6104 3.6104 3.6488 3.6488 4.4703 4.4703 4.4815 4.4816 4.8287 4.8287 4.8536 4.8536 5.4779 5.4779 5.4810 5.4810 13.2893 13.2893 13.3562 13.3562 13.7646 13.7646 13.7750 13.7750 14.3820 14.3820 k = 0.2821 0.4807 0.3934 ( 3492 PWs) bands (ev): -15.6519 -15.6519 -15.6485 -15.6485 -15.2006 -15.2006 -15.1944 -15.1944 -14.4824 -14.4824 -14.4792 -14.4792 1.1448 1.1448 1.1483 1.1483 1.7667 1.7667 1.7688 1.7688 2.1547 2.1547 2.1549 2.1549 3.0020 3.0020 3.0729 3.0729 3.3067 3.3067 3.3405 3.3405 3.6257 3.6257 3.6664 3.6664 4.4837 4.4837 4.4947 4.4948 4.8213 4.8213 4.8466 4.8466 5.4766 5.4766 5.4797 5.4797 13.3019 13.3019 13.3690 13.3690 13.7966 13.7966 13.8097 13.8097 14.4216 14.4216 k = 0.2692 0.4807 0.3934 ( 3488 PWs) bands (ev): -15.6745 -15.6745 -15.6708 -15.6708 -15.1931 -15.1931 -15.1873 -15.1873 -14.4753 -14.4753 -14.4721 -14.4721 1.1548 1.1548 1.1579 1.1579 1.7217 1.7217 1.7241 1.7241 2.1088 2.1088 2.1089 2.1089 3.0227 3.0227 3.0919 3.0919 3.3001 3.3001 3.3370 3.3370 3.6405 3.6405 3.6833 3.6833 4.4939 4.4939 4.5048 4.5048 4.8144 4.8144 4.8400 4.8400 5.4749 5.4749 5.4780 5.4780 13.3167 13.3167 13.3836 13.3836 13.8294 13.8294 13.8459 13.8459 14.4578 14.4578 k = 0.2564 0.4807 0.3934 ( 3480 PWs) bands (ev): -15.6973 -15.6973 -15.6932 -15.6932 -15.1856 -15.1856 -15.1800 -15.1800 -14.4681 -14.4681 -14.4649 -14.4649 1.1626 1.1626 1.1653 1.1653 1.6780 1.6780 1.6806 1.6806 2.0659 2.0659 2.0663 2.0663 3.0438 3.0438 3.1102 3.1102 3.2942 3.2942 3.3349 3.3349 3.6546 3.6546 3.6993 3.6993 4.5007 4.5007 4.5115 4.5115 4.8082 4.8082 4.8339 4.8339 5.4730 5.4730 5.4761 5.4761 13.3332 13.3332 13.3997 13.3997 13.8629 13.8629 13.8830 13.8830 14.4901 14.4901 k = 0.2436 0.4807 0.3934 ( 3472 PWs) bands (ev): -15.7201 -15.7201 -15.7158 -15.7158 -15.1780 -15.1780 -15.1727 -15.1727 -14.4608 -14.4608 -14.4576 -14.4576 1.1679 1.1679 1.1701 1.1701 1.6356 1.6356 1.6382 1.6382 2.0270 2.0270 2.0276 2.0276 3.0649 3.0649 3.1274 3.1274 3.2894 3.2894 3.3349 3.3349 3.6678 3.6678 3.7144 3.7144 4.5040 4.5040 4.5146 4.5146 4.8027 4.8027 4.8283 4.8283 5.4711 5.4712 5.4742 5.4742 13.3514 13.3514 13.4171 13.4171 13.8966 13.8966 13.9208 13.9208 14.5181 14.5181 k = 0.2308 0.4807 0.3934 ( 3476 PWs) bands (ev): -15.7428 -15.7428 -15.7383 -15.7383 -15.1705 -15.1705 -15.1654 -15.1654 -14.4535 -14.4535 -14.4504 -14.4504 1.1703 1.1703 1.1719 1.1719 1.5942 1.5942 1.5967 1.5967 1.9928 1.9928 1.9935 1.9935 3.0857 3.0857 3.1426 3.1426 3.2863 3.2863 3.3377 3.3377 3.6800 3.6800 3.7284 3.7284 4.5036 4.5036 4.5142 4.5142 4.7979 4.7979 4.8231 4.8231 5.4694 5.4694 5.4723 5.4723 13.3709 13.3709 13.4356 13.4356 13.9304 13.9304 13.9589 13.9589 14.5419 14.5419 k = 0.2179 0.4807 0.3934 ( 3480 PWs) bands (ev): -15.7653 -15.7653 -15.7606 -15.7606 -15.1630 -15.1630 -15.1582 -15.1582 -14.4463 -14.4463 -14.4432 -14.4432 1.1698 1.1698 1.1706 1.1706 1.5538 1.5538 1.5561 1.5561 1.9639 1.9639 1.9646 1.9646 3.1055 3.1055 3.1553 3.1553 3.2854 3.2854 3.3441 3.3441 3.6909 3.6909 3.7412 3.7412 4.4996 4.4996 4.5102 4.5102 4.7939 4.7939 4.8184 4.8184 5.4679 5.4679 5.4706 5.4706 13.3915 13.3915 13.4549 13.4549 13.9638 13.9638 13.9968 13.9968 14.5617 14.5617 k = 0.2051 0.4807 0.3934 ( 3472 PWs) bands (ev): -15.7873 -15.7872 -15.7825 -15.7825 -15.1556 -15.1556 -15.1510 -15.1510 -14.4390 -14.4390 -14.4360 -14.4360 1.1663 1.1663 1.1663 1.1663 1.5143 1.5143 1.5164 1.5164 1.9404 1.9404 1.9410 1.9410 3.1234 3.1234 3.1651 3.1651 3.2878 3.2878 3.3547 3.3547 3.7007 3.7007 3.7527 3.7527 4.4920 4.4920 4.5027 4.5027 4.7905 4.7905 4.8142 4.8142 5.4667 5.4667 5.4693 5.4693 13.4129 13.4129 13.4748 13.4748 13.9967 13.9967 14.0341 14.0341 14.5778 14.5778 k = 0.1923 0.4807 0.3934 ( 3480 PWs) bands (ev): -15.8087 -15.8087 -15.8039 -15.8039 -15.1484 -15.1484 -15.1441 -15.1441 -14.4320 -14.4320 -14.4291 -14.4291 1.1592 1.1592 1.1599 1.1599 1.4756 1.4756 1.4774 1.4774 1.9226 1.9226 1.9229 1.9229 3.1385 3.1385 3.1717 3.1717 3.2943 3.2943 3.3696 3.3696 3.7092 3.7092 3.7629 3.7629 4.4810 4.4810 4.4920 4.4920 4.7878 4.7878 4.8103 4.8103 5.4659 5.4659 5.4683 5.4683 13.4349 13.4349 13.4950 13.4950 14.0287 14.0287 14.0704 14.0704 14.5909 14.5909 k = 0.1795 0.4807 0.3934 ( 3484 PWs) bands (ev): -15.8294 -15.8294 -15.8246 -15.8246 -15.1414 -15.1414 -15.1374 -15.1374 -14.4250 -14.4250 -14.4223 -14.4223 1.1496 1.1496 1.1510 1.1510 1.4377 1.4377 1.4394 1.4394 1.9100 1.9100 1.9101 1.9101 3.1498 3.1498 3.1755 3.1755 3.3059 3.3059 3.3883 3.3883 3.7163 3.7163 3.7718 3.7718 4.4669 4.4669 4.4782 4.4782 4.7855 4.7855 4.8067 4.8067 5.4655 5.4655 5.4677 5.4677 13.4573 13.4573 13.5151 13.5151 14.0595 14.0595 14.1052 14.1052 14.6016 14.6016 k = 0.1667 0.4807 0.3934 ( 3496 PWs) bands (ev): -15.8493 -15.8493 -15.8446 -15.8446 -15.1347 -15.1347 -15.1309 -15.1309 -14.4183 -14.4183 -14.4157 -14.4157 1.1380 1.1380 1.1400 1.1400 1.4009 1.4009 1.4023 1.4023 1.9020 1.9020 1.9022 1.9022 3.1574 3.1574 3.1771 3.1771 3.3225 3.3225 3.4104 3.4104 3.7221 3.7221 3.7793 3.7793 4.4502 4.4502 4.4618 4.4618 4.7835 4.7835 4.8034 4.8034 5.4656 5.4656 5.4676 5.4676 13.4796 13.4796 13.5351 13.5351 14.0890 14.0890 14.1382 14.1382 14.6104 14.6104 k = 0.1538 0.4807 0.3934 ( 3508 PWs) bands (ev): -15.8683 -15.8683 -15.8637 -15.8637 -15.1282 -15.1282 -15.1247 -15.1247 -14.4119 -14.4119 -14.4094 -14.4094 1.1251 1.1251 1.1276 1.1276 1.3652 1.3652 1.3665 1.3665 1.8980 1.8980 1.8985 1.8985 3.1617 3.1617 3.1772 3.1772 3.3434 3.3434 3.4350 3.4350 3.7266 3.7266 3.7855 3.7855 4.4311 4.4311 4.4431 4.4431 4.7819 4.7819 4.8002 4.8002 5.4661 5.4661 5.4678 5.4678 13.5018 13.5018 13.5545 13.5545 14.1170 14.1170 14.1689 14.1689 14.6179 14.6179 k = 0.1410 0.4807 0.3934 ( 3508 PWs) bands (ev): -15.8861 -15.8861 -15.8818 -15.8818 -15.1221 -15.1221 -15.1189 -15.1189 -14.4058 -14.4058 -14.4034 -14.4034 1.1114 1.1114 1.1143 1.1143 1.3311 1.3311 1.3323 1.3323 1.8974 1.8974 1.8982 1.8982 3.1637 3.1637 3.1761 3.1761 3.3676 3.3676 3.4615 3.4615 3.7297 3.7297 3.7904 3.7904 4.4102 4.4102 4.4224 4.4224 4.7805 4.7805 4.7972 4.7972 5.4669 5.4669 5.4684 5.4684 13.5235 13.5235 13.5732 13.5732 14.1434 14.1434 14.1971 14.1971 14.6245 14.6245 k = 0.1282 0.4807 0.3934 ( 3504 PWs) bands (ev): -15.9028 -15.9028 -15.8987 -15.8987 -15.1164 -15.1164 -15.1135 -15.1135 -14.4000 -14.4000 -14.3978 -14.3978 1.0974 1.0974 1.1006 1.1006 1.2989 1.2989 1.2999 1.2999 1.8993 1.8993 1.9003 1.9003 3.1642 3.1642 3.1745 3.1745 3.3942 3.3942 3.4893 3.4893 3.7315 3.7315 3.7940 3.7940 4.3879 4.3879 4.4004 4.4004 4.7792 4.7792 4.7943 4.7943 5.4680 5.4680 5.4693 5.4693 13.5445 13.5445 13.5909 13.5909 14.1680 14.1680 14.2225 14.2225 14.6306 14.6306 k = 0.1154 0.4807 0.3934 ( 3492 PWs) bands (ev): -15.9182 -15.9182 -15.9143 -15.9143 -15.1111 -15.1111 -15.1084 -15.1084 -14.3946 -14.3946 -14.3926 -14.3926 1.0837 1.0837 1.0869 1.0869 1.2687 1.2687 1.2697 1.2697 1.9032 1.9032 1.9044 1.9044 3.1639 3.1639 3.1726 3.1726 3.4222 3.4222 3.5179 3.5179 3.7320 3.7321 3.7963 3.7963 4.3648 4.3648 4.3774 4.3774 4.7780 4.7780 4.7915 4.7915 5.4693 5.4693 5.4704 5.4704 13.5646 13.5646 13.6073 13.6073 14.1909 14.1909 14.2449 14.2449 14.6365 14.6365 k = 0.1026 0.4807 0.3934 ( 3496 PWs) bands (ev): -15.9322 -15.9322 -15.9286 -15.9286 -15.1062 -15.1062 -15.1039 -15.1039 -14.3896 -14.3896 -14.3879 -14.3879 1.0705 1.0705 1.0738 1.0738 1.2410 1.2410 1.2418 1.2418 1.9083 1.9083 1.9095 1.9095 3.1632 3.1632 3.1705 3.1705 3.4510 3.4510 3.5466 3.5466 3.7313 3.7313 3.7973 3.7973 4.3414 4.3414 4.3539 4.3539 4.7770 4.7770 4.7888 4.7888 5.4708 5.4708 5.4717 5.4717 13.5835 13.5835 13.6223 13.6223 14.2119 14.2119 14.2642 14.2642 14.6423 14.6423 k = 0.0897 0.4807 0.3934 ( 3496 PWs) bands (ev): -15.9447 -15.9447 -15.9415 -15.9415 -15.1019 -15.1019 -15.0998 -15.0998 -14.3852 -14.3852 -14.3836 -14.3836 1.0584 1.0584 1.0615 1.0615 1.2159 1.2159 1.2166 1.2166 1.9141 1.9141 1.9153 1.9153 3.1622 3.1622 3.1685 3.1685 3.4800 3.4800 3.5750 3.5750 3.7295 3.7295 3.7971 3.7971 4.3183 4.3183 4.3305 4.3305 4.7761 4.7761 4.7863 4.7863 5.4723 5.4723 5.4730 5.4730 13.6010 13.6010 13.6357 13.6357 14.2311 14.2312 14.2805 14.2805 14.6482 14.6482 k = 0.0769 0.4807 0.3934 ( 3496 PWs) bands (ev): -15.9557 -15.9557 -15.9529 -15.9529 -15.0980 -15.0980 -15.0962 -15.0962 -14.3812 -14.3812 -14.3798 -14.3798 1.0475 1.0475 1.0503 1.0503 1.1937 1.1937 1.1943 1.1943 1.9201 1.9201 1.9212 1.9212 3.1613 3.1613 3.1666 3.1666 3.5087 3.5087 3.6023 3.6023 3.7266 3.7266 3.7957 3.7957 4.2962 4.2962 4.3077 4.3077 4.7753 4.7753 4.7840 4.7840 5.4738 5.4738 5.4744 5.4744 13.6170 13.6170 13.6472 13.6472 14.2485 14.2485 14.2936 14.2936 14.6543 14.6543 k = 0.0641 0.4807 0.3934 ( 3496 PWs) bands (ev): -15.9650 -15.9650 -15.9627 -15.9627 -15.0947 -15.0947 -15.0932 -15.0932 -14.3778 -14.3778 -14.3766 -14.3766 1.0380 1.0380 1.0405 1.0405 1.1746 1.1746 1.1750 1.1750 1.9258 1.9258 1.9268 1.9268 3.1606 3.1606 3.1649 3.1649 3.5366 3.5366 3.6277 3.6277 3.7232 3.7232 3.7929 3.7929 4.2757 4.2757 4.2862 4.2862 4.7747 4.7747 4.7818 4.7818 5.4751 5.4752 5.4756 5.4756 13.6312 13.6312 13.6568 13.6568 14.2641 14.2641 14.3037 14.3037 14.6606 14.6606 k = 0.0513 0.4807 0.3934 ( 3492 PWs) bands (ev): -15.9727 -15.9727 -15.9708 -15.9708 -15.0919 -15.0919 -15.0907 -15.0907 -14.3749 -14.3749 -14.3740 -14.3740 1.0301 1.0301 1.0322 1.0322 1.1587 1.1587 1.1591 1.1591 1.9310 1.9310 1.9318 1.9318 3.1600 3.1600 3.1634 3.1635 3.5632 3.5632 3.6493 3.6493 3.7204 3.7204 3.7887 3.7887 4.2577 4.2577 4.2668 4.2668 4.7742 4.7742 4.7799 4.7799 5.4764 5.4764 5.4767 5.4767 13.6436 13.6436 13.6643 13.6643 14.2777 14.2777 14.3108 14.3108 14.6671 14.6671 k = 0.0385 0.4807 0.3934 ( 3500 PWs) bands (ev): -15.9787 -15.9787 -15.9772 -15.9772 -15.0897 -15.0896 -15.0888 -15.0888 -14.3726 -14.3726 -14.3719 -14.3719 1.0239 1.0239 1.0256 1.0256 1.1462 1.1462 1.1465 1.1465 1.9353 1.9353 1.9360 1.9360 3.1596 3.1596 3.1622 3.1622 3.5880 3.5880 3.6638 3.6638 3.7209 3.7209 3.7829 3.7829 4.2429 4.2429 4.2501 4.2501 4.7740 4.7740 4.7782 4.7782 5.4774 5.4774 5.4777 5.4777 13.6539 13.6539 13.6696 13.6696 14.2895 14.2895 14.3151 14.3151 14.6737 14.6737 k = 0.0256 0.4807 0.3934 ( 3496 PWs) bands (ev): -15.9829 -15.9829 -15.9819 -15.9819 -15.0880 -15.0880 -15.0874 -15.0874 -14.3710 -14.3710 -14.3705 -14.3705 1.0195 1.0195 1.0207 1.0207 1.1372 1.1372 1.1374 1.1374 1.9385 1.9385 1.9390 1.9390 3.1595 3.1595 3.1612 3.1612 3.6106 3.6106 3.6670 3.6670 3.7283 3.7283 3.7752 3.7752 4.2320 4.2320 4.2371 4.2371 4.7740 4.7740 4.7768 4.7768 5.4782 5.4782 5.4783 5.4783 13.6622 13.6622 13.6727 13.6727 14.2992 14.2992 14.3168 14.3168 14.6803 14.6803 k = 0.0128 0.4807 0.3934 ( 3496 PWs) bands (ev): -15.9853 -15.9853 -15.9848 -15.9848 -15.0870 -15.0870 -15.0867 -15.0867 -14.3699 -14.3699 -14.3697 -14.3697 1.0170 1.0170 1.0176 1.0176 1.1318 1.1318 1.1319 1.1319 1.9406 1.9406 1.9409 1.9409 3.1596 3.1596 3.1604 3.1604 3.6306 3.6306 3.6602 3.6602 3.7407 3.7407 3.7655 3.7655 4.2258 4.2258 4.2284 4.2284 4.7743 4.7743 4.7757 4.7757 5.4787 5.4787 5.4787 5.4787 13.6682 13.6682 13.6735 13.6735 14.3070 14.3070 14.3158 14.3159 14.6869 14.6869 k = 0.0000 0.4807 0.3934 ( 3480 PWs) bands (ev): -15.9860 -15.9860 -15.9860 -15.9860 -15.0865 -15.0865 -15.0865 -15.0865 -14.3695 -14.3695 -14.3695 -14.3695 1.0163 1.0163 1.0163 1.0163 1.1301 1.1301 1.1301 1.1301 1.9414 1.9414 1.9414 1.9414 3.1599 3.1599 3.1599 3.1599 3.6474 3.6474 3.6474 3.6474 3.7538 3.7538 3.7538 3.7538 4.2246 4.2246 4.2246 4.2246 4.7749 4.7749 4.7749 4.7749 5.4789 5.4789 5.4789 5.4789 13.6720 13.6720 13.6720 13.6720 14.3125 14.3125 14.3125 14.3125 14.6933 14.6933 k = 0.0000 0.4807 0.3934 ( 3480 PWs) bands (ev): -15.9860 -15.9860 -15.9860 -15.9860 -15.0865 -15.0865 -15.0865 -15.0865 -14.3695 -14.3695 -14.3695 -14.3695 1.0163 1.0163 1.0163 1.0163 1.1301 1.1301 1.1301 1.1301 1.9414 1.9414 1.9414 1.9414 3.1599 3.1599 3.1599 3.1599 3.6474 3.6474 3.6474 3.6474 3.7538 3.7538 3.7538 3.7538 4.2246 4.2246 4.2246 4.2246 4.7749 4.7749 4.7749 4.7749 5.4789 5.4789 5.4789 5.4789 13.6720 13.6720 13.6720 13.6720 14.3125 14.3125 14.3125 14.3125 14.6933 14.6933 k = 0.0000 0.4680 0.3934 ( 3488 PWs) bands (ev): -15.9859 -15.9859 -15.9859 -15.9859 -15.0869 -15.0869 -15.0869 -15.0869 -14.3694 -14.3694 -14.3694 -14.3694 1.0174 1.0174 1.0174 1.0174 1.1307 1.1307 1.1307 1.1307 1.9408 1.9408 1.9408 1.9408 3.1583 3.1583 3.1583 3.1583 3.6463 3.6463 3.6463 3.6463 3.7530 3.7530 3.7530 3.7530 4.2248 4.2248 4.2248 4.2248 4.7748 4.7748 4.7748 4.7748 5.4803 5.4803 5.4803 5.4803 13.6739 13.6739 13.6739 13.6739 14.3119 14.3119 14.3119 14.3119 14.6913 14.6913 k = 0.0000 0.4554 0.3934 ( 3496 PWs) bands (ev): -15.9856 -15.9856 -15.9856 -15.9856 -15.0883 -15.0883 -15.0883 -15.0883 -14.3691 -14.3691 -14.3691 -14.3691 1.0204 1.0204 1.0204 1.0204 1.1325 1.1325 1.1325 1.1325 1.9390 1.9390 1.9390 1.9390 3.1537 3.1537 3.1537 3.1537 3.6429 3.6429 3.6429 3.6429 3.7507 3.7507 3.7507 3.7507 4.2254 4.2254 4.2254 4.2254 4.7746 4.7746 4.7746 4.7746 5.4847 5.4847 5.4847 5.4847 13.6796 13.6796 13.6796 13.6796 14.3100 14.3100 14.3100 14.3100 14.6855 14.6855 k = 0.0000 0.4427 0.3934 ( 3502 PWs) bands (ev): -15.9852 -15.9852 -15.9852 -15.9852 -15.0904 -15.0904 -15.0904 -15.0904 -14.3686 -14.3686 -14.3686 -14.3686 1.0255 1.0255 1.0255 1.0255 1.1356 1.1356 1.1356 1.1356 1.9359 1.9359 1.9359 1.9359 3.1462 3.1462 3.1462 3.1462 3.6371 3.6371 3.6371 3.6371 3.7469 3.7469 3.7469 3.7469 4.2263 4.2263 4.2263 4.2263 4.7743 4.7743 4.7743 4.7743 5.4918 5.4918 5.4918 5.4918 13.6891 13.6891 13.6891 13.6891 14.3068 14.3068 14.3068 14.3068 14.6759 14.6759 k = 0.0000 0.4301 0.3934 ( 3502 PWs) bands (ev): -15.9846 -15.9846 -15.9846 -15.9846 -15.0934 -15.0934 -15.0934 -15.0934 -14.3678 -14.3678 -14.3678 -14.3678 1.0325 1.0325 1.0325 1.0325 1.1399 1.1399 1.1399 1.1399 1.9314 1.9314 1.9314 1.9314 3.1362 3.1362 3.1362 3.1362 3.6289 3.6289 3.6289 3.6289 3.7416 3.7416 3.7416 3.7416 4.2276 4.2276 4.2276 4.2276 4.7741 4.7741 4.7741 4.7741 5.5013 5.5013 5.5013 5.5013 13.7023 13.7023 13.7023 13.7023 14.3026 14.3026 14.3026 14.3026 14.6627 14.6627 k = 0.0000 0.4174 0.3934 ( 3508 PWs) bands (ev): -15.9838 -15.9838 -15.9838 -15.9838 -15.0973 -15.0973 -15.0973 -15.0973 -14.3669 -14.3669 -14.3669 -14.3669 1.0415 1.0415 1.0415 1.0415 1.1454 1.1454 1.1454 1.1454 1.9256 1.9256 1.9256 1.9256 3.1243 3.1243 3.1243 3.1243 3.6183 3.6183 3.6183 3.6183 3.7351 3.7351 3.7351 3.7351 4.2293 4.2293 4.2293 4.2293 4.7740 4.7740 4.7740 4.7740 5.5127 5.5127 5.5127 5.5127 13.7191 13.7191 13.7191 13.7191 14.2973 14.2973 14.2973 14.2973 14.6462 14.6462 k = 0.0000 0.4048 0.3934 ( 3514 PWs) bands (ev): -15.9828 -15.9828 -15.9828 -15.9828 -15.1019 -15.1019 -15.1019 -15.1019 -14.3658 -14.3658 -14.3658 -14.3658 1.0523 1.0523 1.0523 1.0523 1.1520 1.1520 1.1520 1.1520 1.9182 1.9182 1.9182 1.9182 3.1109 3.1109 3.1109 3.1109 3.6050 3.6050 3.6050 3.6050 3.7275 3.7275 3.7275 3.7275 4.2312 4.2312 4.2312 4.2312 4.7741 4.7741 4.7741 4.7741 5.5258 5.5258 5.5258 5.5258 13.7396 13.7396 13.7396 13.7396 14.2913 14.2913 14.2913 14.2913 14.6265 14.6265 k = 0.0000 0.3921 0.3934 ( 3514 PWs) bands (ev): -15.9817 -15.9817 -15.9817 -15.9817 -15.1072 -15.1072 -15.1072 -15.1072 -14.3645 -14.3645 -14.3645 -14.3645 1.0648 1.0648 1.0648 1.0648 1.1597 1.1597 1.1597 1.1597 1.9091 1.9091 1.9091 1.9091 3.0967 3.0967 3.0967 3.0967 3.5891 3.5891 3.5891 3.5891 3.7189 3.7189 3.7189 3.7189 4.2334 4.2334 4.2334 4.2334 4.7745 4.7745 4.7745 4.7745 5.5398 5.5398 5.5398 5.5398 13.7635 13.7635 13.7635 13.7635 14.2846 14.2846 14.2846 14.2846 14.6039 14.6039 k = 0.0000 0.3795 0.3934 ( 3510 PWs) bands (ev): -15.9805 -15.9805 -15.9805 -15.9805 -15.1133 -15.1133 -15.1133 -15.1133 -14.3630 -14.3630 -14.3630 -14.3630 1.0790 1.0790 1.0790 1.0790 1.1686 1.1686 1.1686 1.1686 1.8983 1.8983 1.8983 1.8983 3.0823 3.0823 3.0823 3.0823 3.5706 3.5706 3.5706 3.5706 3.7096 3.7096 3.7096 3.7096 4.2358 4.2358 4.2358 4.2358 4.7751 4.7751 4.7751 4.7751 5.5546 5.5546 5.5546 5.5546 13.7906 13.7906 13.7906 13.7906 14.2775 14.2775 14.2775 14.2775 14.5788 14.5788 k = 0.0000 0.3668 0.3934 ( 3506 PWs) bands (ev): -15.9792 -15.9792 -15.9792 -15.9792 -15.1200 -15.1200 -15.1200 -15.1200 -14.3613 -14.3613 -14.3613 -14.3613 1.0946 1.0946 1.0946 1.0946 1.1784 1.1784 1.1784 1.1784 1.8857 1.8857 1.8857 1.8857 3.0682 3.0682 3.0682 3.0682 3.5497 3.5497 3.5497 3.5497 3.6998 3.6998 3.6998 3.6998 4.2384 4.2384 4.2384 4.2384 4.7758 4.7758 4.7758 4.7758 5.5695 5.5695 5.5695 5.5695 13.8208 13.8208 13.8208 13.8208 14.2704 14.2704 14.2704 14.2704 14.5515 14.5515 k = 0.0000 0.3542 0.3934 ( 3504 PWs) bands (ev): -15.9778 -15.9778 -15.9778 -15.9778 -15.1274 -15.1274 -15.1274 -15.1274 -14.3595 -14.3595 -14.3595 -14.3595 1.1116 1.1116 1.1116 1.1116 1.1893 1.1893 1.1893 1.1893 1.8713 1.8713 1.8713 1.8713 3.0548 3.0548 3.0548 3.0548 3.5264 3.5264 3.5264 3.5264 3.6896 3.6896 3.6896 3.6896 4.2411 4.2411 4.2411 4.2411 4.7765 4.7765 4.7765 4.7765 5.5841 5.5841 5.5841 5.5841 13.8537 13.8537 13.8537 13.8537 14.2637 14.2637 14.2637 14.2637 14.5223 14.5223 k = 0.0000 0.3415 0.3934 ( 3506 PWs) bands (ev): -15.9762 -15.9762 -15.9762 -15.9762 -15.1352 -15.1352 -15.1352 -15.1352 -14.3575 -14.3575 -14.3575 -14.3575 1.1296 1.1296 1.1296 1.1296 1.2010 1.2010 1.2010 1.2010 1.8552 1.8552 1.8552 1.8552 3.0427 3.0427 3.0427 3.0427 3.5011 3.5011 3.5011 3.5011 3.6791 3.6791 3.6791 3.6791 4.2439 4.2439 4.2439 4.2439 4.7770 4.7770 4.7770 4.7770 5.5982 5.5982 5.5982 5.5982 13.8887 13.8887 13.8887 13.8887 14.2579 14.2579 14.2579 14.2579 14.4915 14.4915 k = 0.0000 0.3289 0.3934 ( 3514 PWs) bands (ev): -15.9747 -15.9747 -15.9747 -15.9747 -15.1436 -15.1436 -15.1436 -15.1436 -14.3553 -14.3553 -14.3553 -14.3553 1.1483 1.1483 1.1483 1.1483 1.2137 1.2137 1.2137 1.2137 1.8375 1.8375 1.8375 1.8375 3.0321 3.0321 3.0321 3.0321 3.4743 3.4743 3.4743 3.4743 3.6684 3.6684 3.6684 3.6684 4.2467 4.2467 4.2467 4.2467 4.7773 4.7773 4.7773 4.7773 5.6114 5.6114 5.6114 5.6114 13.9250 13.9250 13.9250 13.9250 14.2537 14.2537 14.2537 14.2537 14.4594 14.4594 k = 0.0000 0.3162 0.3934 ( 3506 PWs) bands (ev): -15.9731 -15.9731 -15.9731 -15.9731 -15.1524 -15.1524 -15.1524 -15.1524 -14.3530 -14.3530 -14.3530 -14.3530 1.1676 1.1676 1.1676 1.1676 1.2271 1.2271 1.2271 1.2271 1.8185 1.8185 1.8185 1.8185 3.0232 3.0232 3.0232 3.0232 3.4463 3.4463 3.4463 3.4463 3.6576 3.6576 3.6576 3.6576 4.2495 4.2495 4.2495 4.2495 4.7770 4.7770 4.7770 4.7770 5.6235 5.6235 5.6235 5.6235 13.9615 13.9615 13.9615 13.9615 14.2523 14.2523 14.2523 14.2523 14.4264 14.4264 k = 0.0000 0.3036 0.3934 ( 3500 PWs) bands (ev): -15.9714 -15.9714 -15.9714 -15.9714 -15.1616 -15.1616 -15.1616 -15.1616 -14.3505 -14.3505 -14.3505 -14.3505 1.1868 1.1868 1.1868 1.1868 1.2413 1.2413 1.2413 1.2413 1.7987 1.7987 1.7987 1.7987 3.0161 3.0161 3.0161 3.0161 3.4176 3.4176 3.4176 3.4176 3.6467 3.6467 3.6467 3.6467 4.2523 4.2523 4.2523 4.2523 4.7761 4.7761 4.7761 4.7761 5.6342 5.6342 5.6342 5.6342 13.9962 13.9962 13.9962 13.9962 14.2554 14.2554 14.2554 14.2554 14.3930 14.3930 k = 0.0000 0.2909 0.3934 ( 3494 PWs) bands (ev): -15.9698 -15.9698 -15.9698 -15.9698 -15.1710 -15.1710 -15.1710 -15.1710 -14.3480 -14.3480 -14.3480 -14.3480 1.2056 1.2056 1.2056 1.2056 1.2561 1.2561 1.2561 1.2561 1.7786 1.7786 1.7786 1.7786 3.0107 3.0107 3.0107 3.0107 3.3888 3.3888 3.3888 3.3888 3.6357 3.6357 3.6357 3.6357 4.2551 4.2551 4.2551 4.2551 4.7743 4.7743 4.7743 4.7743 5.6433 5.6433 5.6433 5.6433 14.0266 14.0266 14.0266 14.0266 14.2646 14.2646 14.2646 14.2646 14.3602 14.3602 k = 0.0000 0.2783 0.3934 ( 3494 PWs) bands (ev): -15.9682 -15.9682 -15.9682 -15.9682 -15.1807 -15.1807 -15.1807 -15.1807 -14.3453 -14.3453 -14.3453 -14.3453 1.2231 1.2231 1.2231 1.2231 1.2715 1.2715 1.2715 1.2715 1.7590 1.7590 1.7590 1.7590 3.0066 3.0066 3.0066 3.0066 3.3604 3.3604 3.3604 3.3604 3.6247 3.6247 3.6247 3.6247 4.2577 4.2577 4.2577 4.2577 4.7716 4.7716 4.7716 4.7716 5.6509 5.6509 5.6509 5.6509 14.0499 14.0499 14.0499 14.0499 14.2792 14.2792 14.2792 14.2792 14.3317 14.3317 k = 0.0000 0.2656 0.3934 ( 3486 PWs) bands (ev): -15.9666 -15.9666 -15.9666 -15.9666 -15.1905 -15.1905 -15.1905 -15.1905 -14.3425 -14.3425 -14.3425 -14.3425 1.2387 1.2387 1.2387 1.2387 1.2874 1.2874 1.2874 1.2874 1.7408 1.7408 1.7408 1.7408 3.0037 3.0037 3.0037 3.0037 3.3331 3.3331 3.3331 3.3331 3.6138 3.6138 3.6138 3.6138 4.2603 4.2603 4.2603 4.2603 4.7680 4.7680 4.7680 4.7680 5.6567 5.6567 5.6567 5.6567 14.0645 14.0645 14.0645 14.0645 14.2765 14.2765 14.2765 14.2765 14.3317 14.3317 k = 0.0000 0.2530 0.3934 ( 3490 PWs) bands (ev): -15.9650 -15.9650 -15.9650 -15.9650 -15.2003 -15.2003 -15.2003 -15.2003 -14.3397 -14.3397 -14.3397 -14.3397 1.2514 1.2514 1.2514 1.2514 1.3036 1.3036 1.3036 1.3036 1.7251 1.7251 1.7251 1.7251 3.0013 3.0013 3.0013 3.0013 3.3074 3.3074 3.3074 3.3074 3.6029 3.6029 3.6029 3.6029 4.2627 4.2627 4.2627 4.2627 4.7632 4.7632 4.7632 4.7632 5.6607 5.6607 5.6607 5.6607 14.0710 14.0710 14.0710 14.0710 14.2495 14.2495 14.2495 14.2495 14.3670 14.3670 k = 0.0000 0.2403 0.3934 ( 3494 PWs) bands (ev): -15.9635 -15.9635 -15.9635 -15.9635 -15.2102 -15.2102 -15.2102 -15.2102 -14.3369 -14.3369 -14.3369 -14.3369 1.2604 1.2604 1.2604 1.2604 1.3201 1.3201 1.3201 1.3201 1.7128 1.7128 1.7128 1.7128 2.9988 2.9988 2.9988 2.9988 3.2842 3.2842 3.2842 3.2842 3.5921 3.5921 3.5921 3.5921 4.2650 4.2650 4.2650 4.2650 4.7574 4.7574 4.7574 4.7574 5.6630 5.6630 5.6630 5.6630 14.0707 14.0707 14.0707 14.0707 14.2198 14.2198 14.2198 14.2198 14.4143 14.4143 k = 0.0000 0.2277 0.3934 ( 3502 PWs) bands (ev): -15.9621 -15.9621 -15.9621 -15.9621 -15.2200 -15.2200 -15.2200 -15.2200 -14.3340 -14.3340 -14.3340 -14.3340 1.2648 1.2648 1.2648 1.2648 1.3367 1.3367 1.3367 1.3367 1.7052 1.7052 1.7052 1.7052 2.9954 2.9954 2.9954 2.9954 3.2642 3.2642 3.2642 3.2642 3.5815 3.5815 3.5815 3.5815 4.2671 4.2671 4.2671 4.2671 4.7506 4.7506 4.7506 4.7506 5.6636 5.6636 5.6636 5.6636 14.0649 14.0649 14.0649 14.0649 14.1918 14.1918 14.1918 14.1918 14.4681 14.4681 k = 0.0000 0.2150 0.3934 ( 3506 PWs) bands (ev): -15.9608 -15.9608 -15.9608 -15.9608 -15.2296 -15.2296 -15.2296 -15.2296 -14.3311 -14.3311 -14.3311 -14.3311 1.2640 1.2640 1.2640 1.2640 1.3532 1.3532 1.3532 1.3532 1.7028 1.7028 1.7028 1.7028 2.9905 2.9905 2.9905 2.9905 3.2481 3.2481 3.2481 3.2481 3.5710 3.5710 3.5710 3.5710 4.2690 4.2690 4.2690 4.2690 4.7429 4.7429 4.7429 4.7429 5.6625 5.6625 5.6625 5.6625 14.0538 14.0538 14.0538 14.0538 14.1675 14.1675 14.1675 14.1675 14.5259 14.5259 k = 0.0000 0.2024 0.3934 ( 3506 PWs) bands (ev): -15.9596 -15.9596 -15.9596 -15.9596 -15.2391 -15.2391 -15.2391 -15.2391 -14.3282 -14.3282 -14.3281 -14.3281 1.2581 1.2581 1.2581 1.2581 1.3696 1.3696 1.3697 1.3697 1.7059 1.7059 1.7059 1.7059 2.9836 2.9836 2.9836 2.9836 3.2364 3.2364 3.2364 3.2364 3.5608 3.5608 3.5608 3.5608 4.2707 4.2707 4.2707 4.2707 4.7343 4.7343 4.7343 4.7343 5.6599 5.6599 5.6599 5.6599 14.0377 14.0377 14.0377 14.0377 14.1478 14.1478 14.1478 14.1478 14.5863 14.5863 k = 0.0000 0.1897 0.3934 ( 3502 PWs) bands (ev): -15.9585 -15.9585 -15.9585 -15.9585 -15.2482 -15.2482 -15.2482 -15.2482 -14.3253 -14.3253 -14.3253 -14.3253 1.2475 1.2475 1.2475 1.2475 1.3858 1.3858 1.3858 1.3858 1.7140 1.7140 1.7140 1.7140 2.9743 2.9743 2.9743 2.9743 3.2291 3.2291 3.2291 3.2291 3.5509 3.5509 3.5509 3.5509 4.2723 4.2723 4.2723 4.2723 4.7250 4.7250 4.7250 4.7250 5.6559 5.6559 5.6559 5.6559 14.0171 14.0171 14.0171 14.0171 14.1331 14.1331 14.1331 14.1331 14.6482 14.6482 k = 0.0000 0.1771 0.3934 ( 3506 PWs) bands (ev): -15.9575 -15.9575 -15.9575 -15.9575 -15.2571 -15.2571 -15.2571 -15.2571 -14.3225 -14.3225 -14.3225 -14.3225 1.2330 1.2330 1.2330 1.2330 1.4017 1.4017 1.4017 1.4017 1.7264 1.7264 1.7264 1.7264 2.9630 2.9630 2.9630 2.9630 3.2260 3.2260 3.2260 3.2260 3.5413 3.5413 3.5413 3.5413 4.2737 4.2737 4.2737 4.2737 4.7151 4.7151 4.7151 4.7151 5.6506 5.6506 5.6506 5.6506 13.9936 13.9936 13.9936 13.9936 14.1224 14.1224 14.1224 14.1224 14.7108 14.7108 k = 0.0000 0.1644 0.3934 ( 3514 PWs) bands (ev): -15.9567 -15.9567 -15.9567 -15.9567 -15.2655 -15.2655 -15.2655 -15.2655 -14.3197 -14.3197 -14.3197 -14.3197 1.2156 1.2156 1.2156 1.2156 1.4171 1.4171 1.4171 1.4171 1.7421 1.7421 1.7421 1.7421 2.9500 2.9500 2.9500 2.9500 3.2263 3.2263 3.2263 3.2263 3.5320 3.5320 3.5320 3.5320 4.2749 4.2749 4.2749 4.2749 4.7048 4.7048 4.7048 4.7048 5.6443 5.6443 5.6443 5.6443 13.9685 13.9685 13.9685 13.9685 14.1146 14.1146 14.1146 14.1146 14.7733 14.7733 k = 0.0000 0.1518 0.3934 ( 3508 PWs) bands (ev): -15.9559 -15.9559 -15.9559 -15.9559 -15.2735 -15.2735 -15.2735 -15.2735 -14.3171 -14.3171 -14.3171 -14.3171 1.1965 1.1965 1.1965 1.1965 1.4319 1.4319 1.4319 1.4319 1.7601 1.7601 1.7601 1.7601 2.9362 2.9362 2.9362 2.9362 3.2293 3.2293 3.2293 3.2293 3.5232 3.5232 3.5232 3.5232 4.2759 4.2759 4.2759 4.2759 4.6944 4.6944 4.6944 4.6944 5.6370 5.6370 5.6370 5.6370 13.9432 13.9432 13.9432 13.9432 14.1088 14.1088 14.1088 14.1088 14.8348 14.8348 k = 0.0000 0.1391 0.3934 ( 3494 PWs) bands (ev): -15.9552 -15.9552 -15.9552 -15.9552 -15.2810 -15.2810 -15.2810 -15.2810 -14.3145 -14.3145 -14.3145 -14.3145 1.1764 1.1764 1.1764 1.1764 1.4461 1.4461 1.4461 1.4461 1.7794 1.7794 1.7794 1.7794 2.9221 2.9221 2.9221 2.9221 3.2343 3.2343 3.2343 3.2343 3.5149 3.5149 3.5149 3.5149 4.2768 4.2768 4.2768 4.2768 4.6839 4.6839 4.6839 4.6839 5.6292 5.6292 5.6292 5.6292 13.9184 13.9184 13.9184 13.9184 14.1043 14.1043 14.1043 14.1043 14.8948 14.8948 k = 0.0000 0.1265 0.3934 ( 3502 PWs) bands (ev): -15.9547 -15.9547 -15.9547 -15.9547 -15.2880 -15.2880 -15.2880 -15.2880 -14.3121 -14.3121 -14.3121 -14.3121 1.1561 1.1561 1.1561 1.1561 1.4595 1.4595 1.4595 1.4595 1.7993 1.7993 1.7993 1.7993 2.9083 2.9083 2.9083 2.9083 3.2404 3.2404 3.2404 3.2404 3.5071 3.5071 3.5071 3.5071 4.2776 4.2776 4.2776 4.2776 4.6737 4.6737 4.6737 4.6737 5.6208 5.6208 5.6208 5.6208 13.8947 13.8947 13.8947 13.8947 14.1010 14.1010 14.1010 14.1010 14.9523 14.9523 k = 0.0000 0.1138 0.3934 ( 3508 PWs) bands (ev): -15.9542 -15.9542 -15.9542 -15.9542 -15.2944 -15.2944 -15.2944 -15.2944 -14.3099 -14.3099 -14.3099 -14.3099 1.1364 1.1364 1.1364 1.1364 1.4720 1.4720 1.4720 1.4720 1.8190 1.8190 1.8190 1.8190 2.8951 2.8951 2.8951 2.8951 3.2470 3.2470 3.2470 3.2470 3.4998 3.4998 3.4999 3.4999 4.2782 4.2782 4.2782 4.2782 4.6639 4.6639 4.6639 4.6639 5.6123 5.6123 5.6123 5.6123 13.8725 13.8725 13.8725 13.8725 14.0984 14.0984 14.0984 14.0984 15.0068 15.0068 k = 0.0000 0.1012 0.3934 ( 3508 PWs) bands (ev): -15.9539 -15.9539 -15.9539 -15.9539 -15.3002 -15.3002 -15.3002 -15.3002 -14.3079 -14.3079 -14.3079 -14.3079 1.1177 1.1177 1.1177 1.1177 1.4835 1.4835 1.4835 1.4835 1.8379 1.8379 1.8379 1.8379 2.8831 2.8831 2.8831 2.8831 3.2538 3.2538 3.2538 3.2538 3.4932 3.4932 3.4932 3.4932 4.2786 4.2786 4.2786 4.2786 4.6546 4.6546 4.6546 4.6546 5.6037 5.6037 5.6037 5.6037 13.8521 13.8521 13.8521 13.8521 14.0964 14.0964 14.0964 14.0964 15.0574 15.0574 k = 0.0000 0.0885 0.3934 ( 3510 PWs) bands (ev): -15.9536 -15.9536 -15.9536 -15.9536 -15.3054 -15.3054 -15.3054 -15.3054 -14.3060 -14.3060 -14.3060 -14.3060 1.1003 1.1003 1.1003 1.1003 1.4939 1.4939 1.4939 1.4939 1.8557 1.8557 1.8557 1.8557 2.8723 2.8723 2.8723 2.8723 3.2604 3.2604 3.2604 3.2604 3.4872 3.4872 3.4872 3.4872 4.2790 4.2790 4.2790 4.2790 4.6461 4.6461 4.6461 4.6461 5.5955 5.5955 5.5955 5.5955 13.8336 13.8336 13.8336 13.8336 14.0949 14.0949 14.0949 14.0949 15.1034 15.1034 k = 0.0000 0.0759 0.3934 ( 3510 PWs) bands (ev): -15.9533 -15.9533 -15.9533 -15.9533 -15.3100 -15.3100 -15.3100 -15.3100 -14.3044 -14.3044 -14.3044 -14.3044 1.0847 1.0847 1.0847 1.0847 1.5031 1.5031 1.5031 1.5031 1.8718 1.8718 1.8718 1.8718 2.8629 2.8629 2.8629 2.8629 3.2664 3.2664 3.2664 3.2664 3.4820 3.4820 3.4820 3.4820 4.2793 4.2793 4.2793 4.2793 4.6385 4.6385 4.6385 4.6385 5.5878 5.5878 5.5878 5.5878 13.8173 13.8173 13.8173 13.8173 14.0937 14.0937 14.0937 14.0937 15.1443 15.1443 k = 0.0000 0.0632 0.3934 ( 3510 PWs) bands (ev): -15.9532 -15.9532 -15.9532 -15.9532 -15.3139 -15.3139 -15.3138 -15.3138 -14.3029 -14.3029 -14.3029 -14.3029 1.0711 1.0711 1.0711 1.0711 1.5111 1.5111 1.5111 1.5111 1.8860 1.8860 1.8860 1.8860 2.8550 2.8550 2.8550 2.8550 3.2717 3.2717 3.2717 3.2717 3.4774 3.4774 3.4774 3.4774 4.2794 4.2794 4.2794 4.2794 4.6319 4.6319 4.6319 4.6319 5.5808 5.5808 5.5808 5.5808 13.8033 13.8033 13.8033 13.8033 14.0929 14.0929 14.0929 14.0929 15.1794 15.1794 k = 0.0000 0.0506 0.3934 ( 3510 PWs) bands (ev): -15.9530 -15.9530 -15.9530 -15.9530 -15.3170 -15.3170 -15.3170 -15.3170 -14.3018 -14.3018 -14.3018 -14.3018 1.0598 1.0598 1.0598 1.0598 1.5177 1.5177 1.5177 1.5177 1.8979 1.8979 1.8979 1.8979 2.8485 2.8485 2.8485 2.8485 3.2761 3.2761 3.2761 3.2761 3.4737 3.4737 3.4737 3.4737 4.2796 4.2796 4.2796 4.2796 4.6264 4.6264 4.6264 4.6264 5.5748 5.5748 5.5748 5.5748 13.7917 13.7917 13.7917 13.7917 14.0924 14.0924 14.0924 14.0924 15.2084 15.2084 k = 0.0000 0.0379 0.3934 ( 3506 PWs) bands (ev): -15.9530 -15.9530 -15.9530 -15.9530 -15.3195 -15.3195 -15.3195 -15.3195 -14.3008 -14.3008 -14.3008 -14.3008 1.0508 1.0508 1.0508 1.0508 1.5229 1.5229 1.5229 1.5229 1.9074 1.9074 1.9074 1.9074 2.8435 2.8435 2.8435 2.8435 3.2797 3.2797 3.2797 3.2797 3.4707 3.4707 3.4707 3.4707 4.2797 4.2797 4.2797 4.2797 4.6220 4.6220 4.6221 4.6221 5.5699 5.5699 5.5699 5.5699 13.7826 13.7826 13.7826 13.7826 14.0920 14.0920 14.0920 14.0920 15.2311 15.2311 k = 0.0000 0.0253 0.3934 ( 3510 PWs) bands (ev): -15.9529 -15.9529 -15.9529 -15.9529 -15.3213 -15.3213 -15.3213 -15.3213 -14.3002 -14.3002 -14.3002 -14.3002 1.0442 1.0442 1.0442 1.0442 1.5266 1.5266 1.5266 1.5266 1.9143 1.9143 1.9143 1.9143 2.8400 2.8400 2.8400 2.8400 3.2822 3.2822 3.2822 3.2822 3.4686 3.4686 3.4686 3.4686 4.2797 4.2797 4.2797 4.2797 4.6189 4.6189 4.6189 4.6189 5.5663 5.5663 5.5663 5.5663 13.7761 13.7761 13.7761 13.7761 14.0917 14.0917 14.0917 14.0917 15.2473 15.2473 k = 0.0000 0.0126 0.3934 ( 3510 PWs) bands (ev): -15.9529 -15.9529 -15.9529 -15.9529 -15.3224 -15.3224 -15.3224 -15.3224 -14.2998 -14.2998 -14.2998 -14.2998 1.0403 1.0403 1.0403 1.0403 1.5289 1.5289 1.5289 1.5289 1.9185 1.9185 1.9185 1.9185 2.8379 2.8379 2.8379 2.8379 3.2837 3.2837 3.2837 3.2837 3.4673 3.4673 3.4673 3.4673 4.2797 4.2797 4.2797 4.2797 4.6170 4.6170 4.6170 4.6170 5.5641 5.5641 5.5641 5.5641 13.7721 13.7721 13.7721 13.7721 14.0916 14.0916 14.0916 14.0916 15.2570 15.2570 k = 0.0000 0.0000 0.3934 ( 3510 PWs) bands (ev): -15.9529 -15.9529 -15.9529 -15.9529 -15.3228 -15.3228 -15.3228 -15.3228 -14.2996 -14.2996 -14.2996 -14.2996 1.0390 1.0390 1.0390 1.0390 1.5296 1.5296 1.5296 1.5296 1.9199 1.9199 1.9199 1.9199 2.8372 2.8372 2.8372 2.8372 3.2842 3.2842 3.2842 3.2842 3.4669 3.4669 3.4669 3.4669 4.2797 4.2797 4.2797 4.2797 4.6164 4.6164 4.6164 4.6164 5.5634 5.5634 5.5634 5.5634 13.7708 13.7708 13.7708 13.7708 14.0915 14.0915 14.0915 14.0915 15.2602 15.2602 k = 0.0000 0.4807-0.0000 ( 3494 PWs) bands (ev): -16.0412 -16.0412 -15.7800 -15.7800 -15.2943 -15.2943 -15.0138 -15.0138 -14.7310 -14.7310 -14.2245 -14.2245 0.7292 0.7292 1.4213 1.4213 1.7324 1.7324 2.0903 2.0903 2.2592 2.2592 2.4444 2.4444 2.4476 2.4476 2.4513 2.4513 2.4661 2.4661 2.9705 2.9705 4.2066 4.2066 4.2614 4.2614 4.5461 4.5461 4.7283 4.7283 4.7352 4.7352 5.2350 5.2350 5.4407 5.4407 5.4944 5.4944 12.8090 12.8090 13.4699 13.4699 13.7014 13.7014 14.1114 14.1114 14.2795 14.2795 k = 0.0000 0.4807 0.0127 ( 3486 PWs) bands (ev): -16.0412 -16.0412 -15.7803 -15.7803 -15.2939 -15.2939 -15.0138 -15.0138 -14.7304 -14.7304 -14.2245 -14.2245 0.7302 0.7302 1.4205 1.4205 1.7285 1.7285 2.0798 2.0798 2.2621 2.2621 2.4413 2.4413 2.4503 2.4503 2.4556 2.4556 2.4711 2.4711 2.9740 2.9740 4.2055 4.2055 4.2576 4.2576 4.5457 4.5457 4.7267 4.7267 4.7395 4.7395 5.2333 5.2333 5.4396 5.4396 5.4952 5.4952 12.8113 12.8113 13.4700 13.4700 13.7034 13.7034 14.1112 14.1112 14.2801 14.2801 k = 0.0000 0.4807 0.0254 ( 3488 PWs) bands (ev): -16.0413 -16.0413 -15.7815 -15.7815 -15.2927 -15.2927 -15.0139 -15.0139 -14.7284 -14.7284 -14.2248 -14.2248 0.7330 0.7330 1.4181 1.4181 1.7169 1.7169 2.0525 2.0525 2.2674 2.2674 2.4292 2.4292 2.4566 2.4566 2.4706 2.4706 2.4883 2.4883 2.9840 2.9840 4.2021 4.2021 4.2463 4.2463 4.5443 4.5443 4.7239 4.7239 4.7501 4.7501 5.2283 5.2283 5.4362 5.4362 5.4974 5.4974 12.8184 12.8184 13.4702 13.4702 13.7093 13.7093 14.1105 14.1105 14.2819 14.2819 k = 0.0000 0.4807 0.0381 ( 3480 PWs) bands (ev): -16.0415 -16.0415 -15.7835 -15.7835 -15.2908 -15.2908 -15.0141 -15.0141 -14.7251 -14.7251 -14.2251 -14.2251 0.7377 0.7377 1.4141 1.4141 1.6988 1.6988 2.0153 2.0153 2.2701 2.2701 2.4080 2.4080 2.4673 2.4673 2.4945 2.4945 2.5171 2.5171 2.9996 2.9996 4.1964 4.1964 4.2288 4.2288 4.5420 4.5420 4.7203 4.7203 4.7658 4.7658 5.2201 5.2201 5.4305 5.4305 5.5009 5.5009 12.8300 12.8300 13.4708 13.4708 13.7189 13.7189 14.1095 14.1095 14.2849 14.2849 k = 0.0000 0.4807 0.0508 ( 3476 PWs) bands (ev): -16.0418 -16.0418 -15.7862 -15.7862 -15.2880 -15.2880 -15.0144 -15.0144 -14.7206 -14.7206 -14.2256 -14.2256 0.7442 0.7442 1.4084 1.4084 1.6752 1.6752 1.9730 1.9730 2.2688 2.2688 2.3798 2.3798 2.4812 2.4812 2.5254 2.5254 2.5550 2.5550 3.0194 3.0194 4.1884 4.1884 4.2061 4.2061 4.5387 4.5387 4.7156 4.7156 4.7857 4.7857 5.2089 5.2089 5.4227 5.4227 5.5055 5.5055 12.8461 12.8461 13.4719 13.4719 13.7318 13.7318 14.1083 14.1083 14.2891 14.2891 k = 0.0000 0.4807 0.0635 ( 3484 PWs) bands (ev): -16.0421 -16.0421 -15.7896 -15.7896 -15.2846 -15.2846 -15.0148 -15.0148 -14.7149 -14.7149 -14.2262 -14.2262 0.7524 0.7524 1.4010 1.4010 1.6476 1.6476 1.9280 1.9280 2.2645 2.2645 2.3463 2.3463 2.4971 2.4971 2.5622 2.5622 2.5993 2.5993 3.0420 3.0420 4.1748 4.1748 4.1828 4.1828 4.5344 4.5344 4.7098 4.7098 4.8087 4.8087 5.1950 5.1950 5.4128 5.4128 5.5109 5.5109 12.8666 12.8666 13.4738 13.4738 13.7476 13.7476 14.1070 14.1070 14.2944 14.2944 k = 0.0000 0.4807 0.0761 ( 3488 PWs) bands (ev): -16.0424 -16.0424 -15.7938 -15.7938 -15.2804 -15.2804 -15.0152 -15.0152 -14.7080 -14.7080 -14.2270 -14.2270 0.7623 0.7623 1.3920 1.3920 1.6171 1.6171 1.8818 1.8818 2.2583 2.2583 2.3092 2.3092 2.5146 2.5146 2.6038 2.6038 2.6478 2.6478 3.0663 3.0663 4.1469 4.1469 4.1687 4.1687 4.5291 4.5291 4.7026 4.7026 4.8338 4.8338 5.1788 5.1788 5.4010 5.4010 5.5167 5.5167 12.8912 12.8912 13.4767 13.4767 13.7659 13.7659 14.1059 14.1059 14.3008 14.3008 k = 0.0000 0.4807 0.0888 ( 3494 PWs) bands (ev): -16.0427 -16.0427 -15.7986 -15.7986 -15.2756 -15.2756 -15.0158 -15.0158 -14.7001 -14.7001 -14.2280 -14.2280 0.7739 0.7739 1.3813 1.3813 1.5846 1.5846 1.8352 1.8352 2.2496 2.2496 2.2710 2.2710 2.5332 2.5332 2.6494 2.6494 2.6989 2.6989 3.0916 3.0916 4.1147 4.1147 4.1550 4.1550 4.5229 4.5229 4.6943 4.6943 4.8601 4.8601 5.1604 5.1604 5.3875 5.3875 5.5229 5.5229 12.9197 12.9197 13.4807 13.4807 13.7862 13.7862 14.1052 14.1052 14.3083 14.3083 k = 0.0000 0.4807 0.1015 ( 3496 PWs) bands (ev): -16.0430 -16.0430 -15.8040 -15.8040 -15.2702 -15.2702 -15.0164 -15.0164 -14.6910 -14.6910 -14.2292 -14.2292 0.7869 0.7869 1.3690 1.3690 1.5511 1.5511 1.7888 1.7888 2.2228 2.2228 2.2489 2.2489 2.5528 2.5528 2.6980 2.6980 2.7516 2.7516 3.1170 3.1170 4.0807 4.0807 4.1397 4.1397 4.5156 4.5156 4.6846 4.6846 4.8870 4.8870 5.1402 5.1402 5.3725 5.3725 5.5291 5.5291 12.9518 12.9518 13.4861 13.4861 13.8079 13.8079 14.1053 14.1053 14.3168 14.3168 k = 0.0000 0.4807 0.1142 ( 3492 PWs) bands (ev): -16.0432 -16.0432 -15.8100 -15.8100 -15.2642 -15.2642 -15.0171 -15.0171 -14.6810 -14.6810 -14.2307 -14.2307 0.8013 0.8013 1.3551 1.3551 1.5171 1.5171 1.7429 1.7429 2.1811 2.1811 2.2409 2.2409 2.5733 2.5733 2.7489 2.7489 2.8053 2.8053 3.1421 3.1421 4.0456 4.0456 4.1230 4.1230 4.5074 4.5074 4.6737 4.6737 4.9139 4.9139 5.1184 5.1184 5.3564 5.3564 5.5351 5.5351 12.9871 12.9871 13.4928 13.4928 13.8305 13.8305 14.1066 14.1066 14.3263 14.3263 k = 0.0000 0.4807 0.1269 ( 3488 PWs) bands (ev): -16.0434 -16.0434 -15.8166 -15.8166 -15.2576 -15.2576 -15.0179 -15.0179 -14.6701 -14.6701 -14.2323 -14.2323 0.8169 0.8169 1.3397 1.3397 1.4832 1.4832 1.6978 1.6978 2.1378 2.1378 2.2345 2.2345 2.5946 2.5946 2.8017 2.8017 2.8595 2.8595 3.1664 3.1664 4.0100 4.0100 4.1050 4.1050 4.4981 4.4981 4.6615 4.6615 4.9400 4.9400 5.0952 5.0952 5.3395 5.3395 5.5409 5.5409 13.0253 13.0253 13.5010 13.5010 13.8534 13.8534 14.1096 14.1096 14.3367 14.3367 k = 0.0000 0.4807 0.1396 ( 3492 PWs) bands (ev): -16.0434 -16.0434 -15.8235 -15.8235 -15.2506 -15.2506 -15.0188 -15.0188 -14.6584 -14.6584 -14.2343 -14.2343 0.8335 0.8335 1.3229 1.3229 1.4497 1.4497 1.6537 1.6537 2.0945 2.0945 2.2286 2.2286 2.6166 2.6166 2.8557 2.8557 2.9138 2.9138 3.1898 3.1898 3.9743 3.9743 4.0858 4.0858 4.4879 4.4879 4.6480 4.6480 4.9647 4.9647 5.0708 5.0708 5.3223 5.3223 5.5462 5.5462 13.0658 13.0658 13.5107 13.5107 13.8758 13.8758 14.1149 14.1149 14.3481 14.3481 k = 0.0000 0.4807 0.1523 ( 3484 PWs) bands (ev): -16.0433 -16.0433 -15.8309 -15.8309 -15.2432 -15.2432 -15.0199 -15.0199 -14.6459 -14.6459 -14.2365 -14.2365 0.8508 0.8508 1.3050 1.3050 1.4171 1.4171 1.6108 1.6108 2.0520 2.0520 2.2233 2.2233 2.6395 2.6395 2.9106 2.9106 2.9681 2.9681 3.2118 3.2118 3.9388 3.9388 4.0656 4.0656 4.4768 4.4768 4.6332 4.6332 4.9872 4.9872 5.0457 5.0457 5.3056 5.3056 5.5510 5.5510 13.1083 13.1083 13.5219 13.5219 13.8970 13.8970 14.1229 14.1229 14.3603 14.3603 k = 0.0000 0.4807 0.1650 ( 3488 PWs) bands (ev): -16.0430 -16.0430 -15.8387 -15.8387 -15.2354 -15.2354 -15.0211 -15.0211 -14.6328 -14.6328 -14.2391 -14.2391 0.8688 0.8688 1.2859 1.2859 1.3855 1.3855 1.5691 1.5691 2.0109 2.0109 2.2182 2.2182 2.6630 2.6630 2.9661 2.9661 3.0220 3.0220 3.2324 3.2324 3.9040 3.9040 4.0445 4.0445 4.4647 4.4647 4.6171 4.6171 5.0059 5.0059 5.0207 5.0207 5.2903 5.2903 5.5552 5.5552 13.1521 13.1521 13.5345 13.5345 13.9165 13.9165 14.1341 14.1341 14.3734 14.3734 k = 0.0000 0.4807 0.1777 ( 3488 PWs) bands (ev): -16.0426 -16.0426 -15.8468 -15.8468 -15.2272 -15.2272 -15.0225 -15.0225 -14.6191 -14.6191 -14.2420 -14.2420 0.8869 0.8869 1.2661 1.2661 1.3551 1.3551 1.5289 1.5289 1.9717 1.9717 2.2132 2.2132 2.6873 2.6873 3.0217 3.0217 3.0753 3.0753 3.2515 3.2515 3.8702 3.8702 4.0227 4.0227 4.4516 4.4516 4.5998 4.5998 4.9927 4.9927 5.0228 5.0228 5.2778 5.2778 5.5586 5.5586 13.1967 13.1967 13.5485 13.5485 13.9341 13.9341 14.1488 14.1488 14.3874 14.3874 k = 0.0000 0.4807 0.1904 ( 3488 PWs) bands (ev): -16.0419 -16.0419 -15.8551 -15.8551 -15.2188 -15.2188 -15.0240 -15.0240 -14.6049 -14.6049 -14.2454 -14.2454 0.9050 0.9050 1.2456 1.2456 1.3263 1.3263 1.4902 1.4902 1.9351 1.9351 2.2081 2.2081 2.7124 2.7124 3.0773 3.0773 3.1277 3.1277 3.2688 3.2688 3.8378 3.8378 4.0005 4.0005 4.4377 4.4377 4.5813 4.5813 4.9667 4.9667 5.0321 5.0321 5.2695 5.2695 5.5613 5.5613 13.2413 13.2413 13.5637 13.5638 13.9498 13.9498 14.1666 14.1666 14.4020 14.4020 k = 0.0000 0.4807 0.2031 ( 3500 PWs) bands (ev): -16.0410 -16.0410 -15.8636 -15.8636 -15.2102 -15.2102 -15.0258 -15.0258 -14.5903 -14.5903 -14.2491 -14.2491 0.9227 0.9227 1.2248 1.2248 1.2990 1.2990 1.4530 1.4530 1.9015 1.9015 2.2026 2.2026 2.7381 2.7381 3.1323 3.1323 3.1788 3.1788 3.2848 3.2848 3.8070 3.8070 3.9780 3.9780 4.4228 4.4228 4.5615 4.5615 4.9406 4.9406 5.0346 5.0346 5.2667 5.2667 5.5631 5.5631 13.2853 13.2853 13.5801 13.5801 13.9641 13.9641 14.1870 14.1870 14.4174 14.4174 k = 0.0000 0.4807 0.2158 ( 3502 PWs) bands (ev): -16.0398 -16.0398 -15.8723 -15.8723 -15.2015 -15.2015 -15.0277 -15.0277 -14.5753 -14.5753 -14.2533 -14.2533 0.9396 0.9396 1.2039 1.2039 1.2734 1.2734 1.4175 1.4175 1.8717 1.8717 2.1963 2.1963 2.7645 2.7645 3.1862 3.1862 3.2277 3.2277 3.3002 3.3002 3.7783 3.7783 3.9553 3.9553 4.4071 4.4071 4.5406 4.5406 4.9150 4.9150 5.0300 5.0300 5.2699 5.2699 5.5640 5.5640 13.3281 13.3281 13.5972 13.5972 13.9779 13.9779 14.2092 14.2092 14.4335 14.4335 k = 0.0000 0.4807 0.2284 ( 3500 PWs) bands (ev): -16.0383 -16.0383 -15.8811 -15.8811 -15.1926 -15.1926 -15.0299 -15.0299 -14.5600 -14.5600 -14.2579 -14.2579 0.9552 0.9552 1.1831 1.1831 1.2496 1.2496 1.3838 1.3838 1.8461 1.8461 2.1890 2.1890 2.7916 2.7916 3.2372 3.2372 3.2721 3.2721 3.3186 3.3186 3.7520 3.7520 3.9328 3.9328 4.3906 4.3906 4.5185 4.5185 4.8903 4.8903 5.0191 5.0191 5.2783 5.2783 5.5640 5.5640 13.3689 13.3689 13.6148 13.6148 13.9920 13.9920 14.2323 14.2323 14.4502 14.4502 k = 0.0000 0.4807 0.2411 ( 3496 PWs) bands (ev): -16.0364 -16.0364 -15.8899 -15.8899 -15.1837 -15.1837 -15.0324 -15.0324 -14.5446 -14.5446 -14.2631 -14.2631 0.9693 0.9693 1.1628 1.1628 1.2277 1.2277 1.3519 1.3519 1.8252 1.8252 2.1805 2.1805 2.8192 2.8192 3.2773 3.2773 3.3108 3.3108 3.3483 3.3483 3.7284 3.7284 3.9105 3.9105 4.3735 4.3735 4.4954 4.4954 4.8668 4.8668 5.0034 5.0034 5.2906 5.2906 5.5631 5.5631 13.4073 13.4073 13.6322 13.6322 14.0075 14.0075 14.2553 14.2553 14.4675 14.4675 k = 0.0000 0.4807 0.2538 ( 3496 PWs) bands (ev): -16.0343 -16.0343 -15.8988 -15.8988 -15.1747 -15.1747 -15.0351 -15.0351 -14.5291 -14.5291 -14.2687 -14.2687 0.9814 0.9814 1.1431 1.1431 1.2078 1.2078 1.3219 1.3219 1.8094 1.8094 2.1704 2.1704 2.8474 2.8474 3.2951 3.2951 3.3553 3.3553 3.3888 3.3888 3.7078 3.7078 3.8886 3.8886 4.3558 4.3558 4.4713 4.4713 4.8448 4.8448 4.9844 4.9844 5.3055 5.3055 5.5613 5.5613 13.4428 13.4428 13.6489 13.6489 14.0251 14.0251 14.2774 14.2774 14.4853 14.4853 k = 0.0000 0.4807 0.2665 ( 3500 PWs) bands (ev): -16.0318 -16.0318 -15.9076 -15.9076 -15.1658 -15.1658 -15.0381 -15.0381 -14.5135 -14.5135 -14.2750 -14.2750 0.9915 0.9915 1.1243 1.1243 1.1899 1.1899 1.2939 1.2939 1.7991 1.7991 2.1584 2.1584 2.8760 2.8760 3.3005 3.3005 3.4031 3.4031 3.4317 3.4317 3.6906 3.6906 3.8674 3.8674 4.3376 4.3376 4.4464 4.4464 4.8247 4.8247 4.9632 4.9632 5.3218 5.3218 5.5584 5.5584 13.4754 13.4754 13.6640 13.6640 14.0453 14.0453 14.2979 14.2979 14.5036 14.5036 k = 0.0000 0.4807 0.2792 ( 3500 PWs) bands (ev): -16.0289 -16.0289 -15.9163 -15.9163 -15.1570 -15.1570 -15.0414 -15.0414 -14.4980 -14.4980 -14.2817 -14.2817 0.9993 0.9993 1.1066 1.1066 1.1741 1.1741 1.2678 1.2678 1.7943 1.7943 2.1446 2.1446 2.9050 2.9050 3.3002 3.3002 3.4499 3.4499 3.4739 3.4739 3.6772 3.6772 3.8469 3.8469 4.3192 4.3192 4.4207 4.4207 4.8067 4.8067 4.9410 4.9410 5.3390 5.3390 5.5547 5.5547 13.5051 13.5051 13.6768 13.6768 14.0685 14.0685 14.3161 14.3161 14.5222 14.5222 k = 0.0000 0.4807 0.2919 ( 3504 PWs) bands (ev): -16.0257 -16.0257 -15.9250 -15.9250 -15.1483 -15.1483 -15.0451 -15.0451 -14.4825 -14.4825 -14.2891 -14.2891 1.0049 1.0049 1.0901 1.0901 1.1604 1.1604 1.2438 1.2438 1.7949 1.7949 2.1287 2.1287 2.9342 2.9342 3.2959 3.2959 3.4941 3.4941 3.5141 3.5141 3.6680 3.6680 3.8273 3.8273 4.3008 4.3008 4.3946 4.3946 4.7912 4.7912 4.9183 4.9183 5.3563 5.3563 5.5499 5.5499 13.5320 13.5320 13.6870 13.6870 14.0944 14.0944 14.3315 14.3315 14.5412 14.5412 k = 0.0000 0.4807 0.3046 ( 3504 PWs) bands (ev): -16.0221 -16.0221 -15.9334 -15.9334 -15.1398 -15.1398 -15.0490 -15.0490 -14.4672 -14.4672 -14.2970 -14.2970 1.0087 1.0087 1.0751 1.0751 1.1488 1.1488 1.2219 1.2219 1.8008 1.8008 2.1107 2.1107 2.9636 2.9636 3.2881 3.2881 3.5344 3.5344 3.5513 3.5513 3.6641 3.6641 3.8090 3.8090 4.2828 4.2828 4.3682 4.3682 4.7785 4.7785 4.8959 4.8959 5.3736 5.3736 5.5443 5.5443 13.5564 13.5564 13.6942 13.6942 14.1225 14.1225 14.3435 14.3435 14.5604 14.5604 k = 0.0000 0.4807 0.3173 ( 3512 PWs) bands (ev): -16.0181 -16.0181 -15.9417 -15.9417 -15.1314 -15.1314 -15.0534 -15.0534 -14.4522 -14.4522 -14.3056 -14.3056 1.0108 1.0108 1.0617 1.0617 1.1394 1.1394 1.2021 1.2021 1.8114 1.8114 2.0907 2.0907 2.9930 2.9930 3.2772 3.2772 3.5686 3.5686 3.5845 3.5845 3.6668 3.6668 3.7923 3.7923 4.2656 4.2656 4.3420 4.3420 4.7687 4.7687 4.8740 4.8740 5.3905 5.3905 5.5376 5.5376 13.5785 13.5785 13.6984 13.6984 14.1522 14.1522 14.3518 14.3518 14.5798 14.5798 k = 0.0000 0.4807 0.3300 ( 3506 PWs) bands (ev): -16.0137 -16.0137 -15.9498 -15.9498 -15.1232 -15.1232 -15.0580 -15.0580 -14.4374 -14.4374 -14.3147 -14.3147 1.0118 1.0118 1.0499 1.0499 1.1322 1.1322 1.1845 1.1845 1.8263 1.8263 2.0689 2.0689 3.0222 3.0222 3.2634 3.2634 3.5940 3.5940 3.6127 3.6127 3.6780 3.6780 3.7779 3.7779 4.2500 4.2500 4.3163 4.3163 4.7619 4.7619 4.8531 4.8531 5.4069 5.4069 5.5301 5.5301 13.5985 13.5985 13.6999 13.6999 14.1824 14.1824 14.3560 14.3560 14.5992 14.5992 k = 0.0000 0.4807 0.3427 ( 3508 PWs) bands (ev): -16.0089 -16.0089 -15.9576 -15.9576 -15.1153 -15.1153 -15.0630 -15.0630 -14.4230 -14.4230 -14.3245 -14.3245 1.0122 1.0122 1.0398 1.0398 1.1273 1.1273 1.1692 1.1692 1.8448 1.8448 2.0453 2.0453 3.0512 3.0512 3.2469 3.2469 3.6103 3.6103 3.6350 3.6350 3.6961 3.6961 3.7667 3.7667 4.2366 4.2366 4.2920 4.2920 4.7583 4.7583 4.8336 4.8336 5.4228 5.4228 5.5216 5.5216 13.6166 13.6166 13.6986 13.6986 14.2123 14.2123 14.3559 14.3559 14.6186 14.6186 k = 0.0000 0.4807 0.3554 ( 3508 PWs) bands (ev): -16.0037 -16.0037 -15.9652 -15.9652 -15.1077 -15.1077 -15.0684 -15.0684 -14.4089 -14.4089 -14.3349 -14.3349 1.0124 1.0124 1.0315 1.0315 1.1246 1.1246 1.1560 1.1560 1.8662 1.8662 2.0204 2.0204 3.0796 3.0796 3.2280 3.2280 3.6214 3.6214 3.6496 3.6496 3.7161 3.7161 3.7598 3.7598 4.2264 4.2264 4.2697 4.2697 4.7579 4.7579 4.8158 4.8158 5.4379 5.4379 5.5122 5.5123 13.6330 13.6330 13.6951 13.6951 14.2410 14.2410 14.3515 14.3515 14.6378 14.6378 k = 0.0000 0.4807 0.3680 ( 3492 PWs) bands (ev): -15.9982 -15.9982 -15.9724 -15.9724 -15.1003 -15.1003 -15.0740 -15.0740 -14.3953 -14.3953 -14.3458 -14.3458 1.0129 1.0129 1.0249 1.0249 1.1241 1.1241 1.1451 1.1451 1.8899 1.8899 1.9946 1.9946 3.1073 3.1073 3.2071 3.2071 3.6307 3.6307 3.6552 3.6552 3.7337 3.7337 3.7573 3.7573 4.2206 4.2206 4.2503 4.2503 4.7606 4.7606 4.7998 4.7998 5.4524 5.4524 5.5020 5.5020 13.6477 13.6477 13.6893 13.6893 14.2677 14.2677 14.3427 14.3427 14.6568 14.6568 k = 0.0000 0.4807 0.3807 ( 3488 PWs) bands (ev): -15.9923 -15.9923 -15.9794 -15.9794 -15.0932 -15.0932 -15.0801 -15.0801 -14.3821 -14.3821 -14.3574 -14.3574 1.0141 1.0141 1.0199 1.0199 1.1260 1.1260 1.1364 1.1364 1.9152 1.9152 1.9680 1.9680 3.1342 3.1342 3.1843 3.1843 3.6394 3.6394 3.6535 3.6535 3.7465 3.7465 3.7565 3.7565 4.2198 4.2198 4.2350 4.2350 4.7663 4.7663 4.7861 4.7861 5.4660 5.4660 5.4909 5.4909 13.6607 13.6607 13.6816 13.6816 14.2918 14.2918 14.3296 14.3296 14.6753 14.6753 k = 0.0000 0.4807 0.3934 ( 3480 PWs) bands (ev): -15.9860 -15.9860 -15.9860 -15.9860 -15.0865 -15.0865 -15.0865 -15.0865 -14.3695 -14.3695 -14.3695 -14.3695 1.0163 1.0163 1.0163 1.0163 1.1301 1.1301 1.1301 1.1301 1.9414 1.9414 1.9414 1.9414 3.1599 3.1599 3.1599 3.1599 3.6474 3.6474 3.6474 3.6474 3.7538 3.7538 3.7538 3.7538 4.2246 4.2246 4.2246 4.2246 4.7749 4.7749 4.7749 4.7749 5.4789 5.4789 5.4789 5.4789 13.6720 13.6720 13.6720 13.6720 14.3125 14.3125 14.3125 14.3125 14.6933 14.6933 k = 0.5000-0.0000 0.3934 ( 3504 PWs) bands (ev): -15.5619 -15.5619 -15.5619 -15.5619 -15.3309 -15.3309 -15.3309 -15.3309 -14.4440 -14.4440 -14.4440 -14.4440 1.1509 1.1509 1.1509 1.1509 1.4401 1.4401 1.4401 1.4401 2.2287 2.2287 2.2287 2.2287 2.9885 2.9885 2.9885 2.9885 3.2347 3.2347 3.2347 3.2347 3.7894 3.7894 3.7894 3.7894 4.2693 4.2693 4.2693 4.2693 5.0847 5.0847 5.0847 5.0847 5.3383 5.3383 5.3383 5.3383 13.6513 13.6513 13.6513 13.6513 13.7756 13.7756 13.7756 13.7756 14.6766 14.6766 k = 0.5000-0.0000 0.3807 ( 3500 PWs) bands (ev): -15.5622 -15.5622 -15.5622 -15.5622 -15.3307 -15.3307 -15.3305 -15.3305 -14.4442 -14.4442 -14.4442 -14.4442 1.1483 1.1483 1.1500 1.1500 1.4436 1.4436 1.4447 1.4447 2.2264 2.2264 2.2266 2.2266 2.9842 2.9842 2.9873 2.9873 3.2329 3.2329 3.2420 3.2420 3.7852 3.7852 3.7927 3.7927 4.2705 4.2705 4.2714 4.2714 5.0843 5.0843 5.0846 5.0846 5.3389 5.3389 5.3396 5.3396 13.6332 13.6332 13.6621 13.6621 13.7615 13.7615 13.7956 13.7956 14.6745 14.6746 k = 0.5000-0.0000 0.3680 ( 3500 PWs) bands (ev): -15.5630 -15.5630 -15.5629 -15.5629 -15.3299 -15.3299 -15.3295 -15.3295 -14.4450 -14.4450 -14.4449 -14.4449 1.1424 1.1424 1.1458 1.1458 1.4549 1.4549 1.4571 1.4571 2.2197 2.2197 2.2202 2.2202 2.9751 2.9751 2.9803 2.9803 3.2369 3.2369 3.2540 3.2540 3.7802 3.7802 3.7948 3.7948 4.2751 4.2751 4.2769 4.2769 5.0836 5.0836 5.0841 5.0841 5.3415 5.3415 5.3428 5.3428 13.6117 13.6117 13.6604 13.6604 13.7584 13.7584 13.8177 13.8177 14.6683 14.6684 k = 0.5000-0.0000 0.3554 ( 3496 PWs) bands (ev): -15.5644 -15.5644 -15.5642 -15.5642 -15.3285 -15.3285 -15.3280 -15.3280 -14.4462 -14.4462 -14.4461 -14.4461 1.1345 1.1345 1.1393 1.1393 1.4727 1.4727 1.4762 1.4762 2.2090 2.2090 2.2099 2.2099 2.9617 2.9617 2.9677 2.9677 3.2463 3.2463 3.2697 3.2697 3.7745 3.7745 3.7959 3.7959 4.2828 4.2828 4.2856 4.2856 5.0825 5.0825 5.0833 5.0833 5.3459 5.3459 5.3478 5.3478 13.5882 13.5882 13.6463 13.6463 13.7663 13.7663 13.8401 13.8401 14.6580 14.6580 k = 0.5000-0.0000 0.3427 ( 3504 PWs) bands (ev): -15.5662 -15.5662 -15.5660 -15.5660 -15.3266 -15.3266 -15.3259 -15.3259 -14.4479 -14.4479 -14.4477 -14.4477 1.1255 1.1255 1.1315 1.1315 1.4957 1.4957 1.5006 1.5006 2.1949 2.1949 2.1963 2.1963 2.9445 2.9445 2.9500 2.9500 3.2604 3.2604 3.2881 3.2881 3.7685 3.7685 3.7960 3.7960 4.2936 4.2936 4.2974 4.2974 5.0813 5.0813 5.0823 5.0823 5.3520 5.3520 5.3544 5.3544 13.5639 13.5639 13.6251 13.6251 13.7798 13.7798 13.8618 13.8618 14.6435 14.6435 k = 0.5000-0.0000 0.3300 ( 3502 PWs) bands (ev): -15.5685 -15.5685 -15.5682 -15.5682 -15.3242 -15.3242 -15.3233 -15.3233 -14.4501 -14.4501 -14.4499 -14.4499 1.1166 1.1166 1.1237 1.1237 1.5227 1.5227 1.5290 1.5290 2.1780 2.1780 2.1801 2.1801 2.9238 2.9238 2.9278 2.9278 3.2782 3.2782 3.3082 3.3082 3.7625 3.7625 3.7951 3.7951 4.3072 4.3072 4.3121 4.3121 5.0801 5.0801 5.0813 5.0813 5.3595 5.3595 5.3624 5.3624 13.5390 13.5390 13.6008 13.6008 13.7946 13.7946 13.8821 13.8821 14.6250 14.6250 k = 0.5000-0.0000 0.3173 ( 3512 PWs) bands (ev): -15.5712 -15.5712 -15.5709 -15.5709 -15.3212 -15.3212 -15.3202 -15.3202 -14.4527 -14.4527 -14.4524 -14.4524 1.1086 1.1086 1.1165 1.1165 1.5524 1.5524 1.5600 1.5600 2.1593 2.1593 2.1624 2.1624 2.8998 2.8998 2.9017 2.9017 3.2984 3.2984 3.3292 3.3293 3.7569 3.7569 3.7937 3.7937 4.3233 4.3233 4.3293 4.3293 5.0792 5.0792 5.0804 5.0804 5.3683 5.3683 5.3715 5.3715 13.5139 13.5139 13.5751 13.5751 13.8090 13.8090 13.9004 13.9004 14.6026 14.6026 k = 0.5000-0.0000 0.3046 ( 3504 PWs) bands (ev): -15.5743 -15.5743 -15.5739 -15.5739 -15.3178 -15.3178 -15.3167 -15.3167 -14.4557 -14.4557 -14.4554 -14.4554 1.1020 1.1020 1.1106 1.1106 1.5836 1.5836 1.5923 1.5923 2.1399 2.1399 2.1442 2.1442 2.8722 2.8722 2.8725 2.8725 3.3200 3.3200 3.3501 3.3501 3.7524 3.7524 3.7921 3.7921 4.3417 4.3417 4.3487 4.3487 5.0786 5.0786 5.0800 5.0800 5.3780 5.3780 5.3814 5.3814 13.4889 13.4889 13.5488 13.5488 13.8218 13.8218 13.9161 13.9161 14.5768 14.5768 k = 0.5000-0.0000 0.2919 ( 3500 PWs) bands (ev): -15.5777 -15.5777 -15.5772 -15.5772 -15.3140 -15.3140 -15.3128 -15.3128 -14.4591 -14.4591 -14.4587 -14.4587 1.0974 1.0974 1.1065 1.1065 1.6149 1.6149 1.6245 1.6245 2.1209 2.1209 2.1271 2.1271 2.8397 2.8397 2.8423 2.8423 3.3418 3.3418 3.3698 3.3698 3.7498 3.7498 3.7909 3.7909 4.3617 4.3617 4.3697 4.3697 5.0787 5.0787 5.0802 5.0802 5.3885 5.3885 5.3920 5.3920 13.4640 13.4640 13.5224 13.5224 13.8324 13.8324 13.9286 13.9286 14.5478 14.5478 k = 0.5000-0.0000 0.2792 ( 3498 PWs) bands (ev): -15.5814 -15.5814 -15.5808 -15.5808 -15.3099 -15.3099 -15.3086 -15.3086 -14.4628 -14.4628 -14.4624 -14.4624 1.0949 1.0949 1.1044 1.1044 1.6450 1.6450 1.6549 1.6549 2.1039 2.1039 2.1126 2.1126 2.8045 2.8045 2.8091 2.8091 3.3628 3.3628 3.3871 3.3871 3.7499 3.7499 3.7907 3.7907 4.3831 4.3831 4.3920 4.3920 5.0797 5.0797 5.0812 5.0812 5.3994 5.3994 5.4030 5.4030 13.4394 13.4394 13.4960 13.4960 13.8403 13.8403 13.9373 13.9373 14.5160 14.5160 k = 0.5000-0.0000 0.2665 ( 3494 PWs) bands (ev): -15.5853 -15.5853 -15.5847 -15.5847 -15.3054 -15.3054 -15.3040 -15.3040 -14.4669 -14.4669 -14.4665 -14.4665 1.0949 1.0949 1.1045 1.1045 1.6720 1.6720 1.6816 1.6816 2.0906 2.0906 2.1028 2.1028 2.7670 2.7670 2.7731 2.7731 3.3819 3.3819 3.4008 3.4008 3.7537 3.7537 3.7926 3.7926 4.4053 4.4053 4.4149 4.4149 5.0816 5.0816 5.0832 5.0832 5.4106 5.4106 5.4142 5.4142 13.4152 13.4152 13.4698 13.4698 13.8451 13.8451 13.9416 13.9416 14.4820 14.4820 k = 0.5000-0.0000 0.2538 ( 3482 PWs) bands (ev): -15.5894 -15.5894 -15.5887 -15.5887 -15.3007 -15.3007 -15.2992 -15.2992 -14.4712 -14.4712 -14.4708 -14.4708 1.0974 1.0974 1.1071 1.1071 1.6940 1.6940 1.7025 1.7025 2.0833 2.0833 2.0999 2.0999 2.7275 2.7275 2.7346 2.7346 3.3978 3.3978 3.4100 3.4100 3.7621 3.7621 3.7972 3.7972 4.4277 4.4277 4.4379 4.4379 5.0848 5.0848 5.0865 5.0865 5.4219 5.4219 5.4253 5.4253 13.3914 13.3914 13.4439 13.4439 13.8465 13.8465 13.9410 13.9410 14.4463 14.4463 k = 0.5000-0.0000 0.2411 ( 3482 PWs) bands (ev): -15.5936 -15.5936 -15.5929 -15.5929 -15.2957 -15.2957 -15.2942 -15.2942 -14.4758 -14.4758 -14.4754 -14.4754 1.1026 1.1026 1.1122 1.1122 1.7089 1.7089 1.7156 1.7156 2.0837 2.0837 2.1057 2.1057 2.6862 2.6862 2.6938 2.6938 3.4097 3.4097 3.4141 3.4141 3.7755 3.7755 3.8056 3.8056 4.4498 4.4498 4.4604 4.4604 5.0893 5.0893 5.0912 5.0912 5.4331 5.4331 5.4364 5.4364 13.3681 13.3681 13.4183 13.4183 13.8443 13.8443 13.9352 13.9352 14.4095 14.4095 k = 0.5000-0.0000 0.2284 ( 3474 PWs) bands (ev): -15.5979 -15.5979 -15.5972 -15.5971 -15.2906 -15.2906 -15.2891 -15.2891 -14.4806 -14.4806 -14.4802 -14.4802 1.1105 1.1105 1.1198 1.1198 1.7155 1.7155 1.7202 1.7202 2.0929 2.0929 2.1210 2.1210 2.6436 2.6436 2.6510 2.6510 3.4129 3.4129 3.4169 3.4169 3.7940 3.7940 3.8182 3.8182 4.4710 4.4710 4.4818 4.4818 5.0955 5.0955 5.0975 5.0975 5.4441 5.4441 5.4471 5.4471 13.3453 13.3453 13.3930 13.3930 13.8384 13.8384 13.9240 13.9240 14.3721 14.3721 k = 0.5000-0.0000 0.2158 ( 3462 PWs) bands (ev): -15.6023 -15.6023 -15.6015 -15.6015 -15.2854 -15.2854 -15.2838 -15.2838 -14.4856 -14.4856 -14.4852 -14.4852 1.1212 1.1212 1.1300 1.1300 1.7141 1.7141 1.7169 1.7169 2.1107 2.1107 2.1451 2.1451 2.6001 2.6001 2.6064 2.6064 3.4069 3.4069 3.4189 3.4189 3.8170 3.8170 3.8354 3.8354 4.4908 4.4908 4.5015 4.5015 5.1034 5.1034 5.1055 5.1055 5.4547 5.4547 5.4575 5.4575 13.3230 13.3230 13.3680 13.3680 13.8289 13.8289 13.9075 13.9075 14.3348 14.3348 k = 0.5000-0.0000 0.2031 ( 3468 PWs) bands (ev): -15.6067 -15.6067 -15.6058 -15.6058 -15.2801 -15.2801 -15.2785 -15.2785 -14.4907 -14.4907 -14.4903 -14.4903 1.1346 1.1346 1.1428 1.1428 1.7058 1.7058 1.7072 1.7072 2.1352 2.1352 2.1761 2.1761 2.5564 2.5564 2.5605 2.5605 3.3966 3.3966 3.4160 3.4160 3.8438 3.8438 3.8570 3.8570 4.5085 4.5085 4.5191 4.5191 5.1131 5.1131 5.1153 5.1153 5.4649 5.4649 5.4673 5.4673 13.3011 13.3011 13.3433 13.3433 13.8160 13.8160 13.8864 13.8864 14.2980 14.2980 k = 0.5000-0.0000 0.1904 ( 3468 PWs) bands (ev): -15.6110 -15.6110 -15.6101 -15.6101 -15.2748 -15.2748 -15.2733 -15.2733 -14.4959 -14.4959 -14.4955 -14.4955 1.1507 1.1507 1.1582 1.1582 1.6925 1.6925 1.6931 1.6931 2.1635 2.1635 2.2117 2.2117 2.5136 2.5136 2.5140 2.5140 3.3829 3.3829 3.4085 3.4085 3.8738 3.8738 3.8824 3.8824 4.5237 4.5237 4.5340 4.5340 5.1246 5.1246 5.1270 5.1270 5.4745 5.4745 5.4766 5.4766 13.2798 13.2798 13.3189 13.3189 13.8001 13.8001 13.8614 13.8614 14.2622 14.2622 k = 0.5000-0.0000 0.1777 ( 3468 PWs) bands (ev): -15.6152 -15.6152 -15.6143 -15.6143 -15.2695 -15.2695 -15.2680 -15.2680 -14.5010 -14.5010 -14.5007 -14.5006 1.1695 1.1695 1.1761 1.1761 1.6761 1.6761 1.6763 1.6763 2.1918 2.1918 2.2487 2.2487 2.4685 2.4685 2.4741 2.4741 3.3663 3.3663 3.3970 3.3970 3.9061 3.9061 3.9111 3.9111 4.5361 4.5361 4.5460 4.5460 5.1378 5.1378 5.1404 5.1404 5.4836 5.4836 5.4852 5.4852 13.2588 13.2588 13.2947 13.2947 13.7819 13.7819 13.8336 13.8336 14.2276 14.2276 k = 0.5000-0.0000 0.1650 ( 3464 PWs) bands (ev): -15.6194 -15.6194 -15.6185 -15.6185 -15.2643 -15.2643 -15.2628 -15.2628 -14.5062 -14.5062 -14.5058 -14.5058 1.1908 1.1908 1.1965 1.1965 1.6579 1.6579 1.6581 1.6581 2.2143 2.2143 2.2813 2.2813 2.4288 2.4288 2.4423 2.4423 3.3474 3.3474 3.3822 3.3822 3.9402 3.9402 3.9424 3.9424 4.5454 4.5454 4.5548 4.5548 5.1527 5.1527 5.1554 5.1554 5.4919 5.4919 5.4932 5.4932 13.2382 13.2382 13.2707 13.2707 13.7619 13.7619 13.8041 13.8041 14.1945 14.1945 k = 0.5000-0.0000 0.1523 ( 3460 PWs) bands (ev): -15.6233 -15.6233 -15.6224 -15.6224 -15.2592 -15.2592 -15.2578 -15.2578 -14.5112 -14.5112 -14.5109 -14.5109 1.2147 1.2147 1.2192 1.2192 1.6390 1.6390 1.6394 1.6394 2.2221 2.2221 2.2930 2.2930 2.4103 2.4103 2.4263 2.4263 3.3267 3.3267 3.3646 3.3646 3.9756 3.9756 3.9756 3.9756 4.5514 4.5514 4.5602 4.5602 5.1689 5.1689 5.1716 5.1716 5.4996 5.4996 5.5005 5.5005 13.2179 13.2179 13.2469 13.2469 13.7411 13.7411 13.7740 13.7740 14.1630 14.1630 k = 0.5000-0.0000 0.1396 ( 3460 PWs) bands (ev): -15.6271 -15.6271 -15.6262 -15.6262 -15.2543 -15.2543 -15.2529 -15.2529 -14.5161 -14.5161 -14.5158 -14.5158 1.2411 1.2411 1.2442 1.2442 1.6202 1.6202 1.6209 1.6209 2.2083 2.2083 2.2682 2.2682 2.4282 2.4282 2.4321 2.4321 3.3045 3.3045 3.3447 3.3447 4.0103 4.0103 4.0118 4.0118 4.5540 4.5540 4.5623 4.5623 5.1860 5.1860 5.1887 5.1887 5.5066 5.5066 5.5071 5.5071 13.1980 13.1980 13.2234 13.2234 13.7200 13.7200 13.7445 13.7445 14.1334 14.1334 k = 0.5000-0.0000 0.1269 ( 3452 PWs) bands (ev): -15.6306 -15.6306 -15.6298 -15.6298 -15.2496 -15.2496 -15.2483 -15.2483 -14.5208 -14.5208 -14.5205 -14.5205 1.2697 1.2697 1.2714 1.2714 1.6021 1.6021 1.6034 1.6034 2.1768 2.1768 2.2243 2.2243 2.4556 2.4556 2.4646 2.4646 3.2812 3.2812 3.3229 3.3229 4.0459 4.0459 4.0486 4.0486 4.5533 4.5533 4.5610 4.5610 5.2037 5.2037 5.2063 5.2063 5.5129 5.5129 5.5130 5.5130 13.1785 13.1785 13.2004 13.2004 13.6995 13.6995 13.7163 13.7163 14.1056 14.1056 k = 0.5000-0.0000 0.1142 ( 3452 PWs) bands (ev): -15.6339 -15.6339 -15.6331 -15.6331 -15.2451 -15.2451 -15.2440 -15.2440 -14.5253 -14.5252 -14.5250 -14.5250 1.3004 1.3004 1.3004 1.3004 1.5852 1.5852 1.5872 1.5872 2.1355 2.1355 2.1744 2.1744 2.4884 2.4884 2.5060 2.5060 3.2571 3.2571 3.2996 3.2996 4.0821 4.0821 4.0856 4.0856 4.5494 4.5494 4.5565 4.5565 5.2214 5.2214 5.2238 5.2238 5.5183 5.5183 5.5185 5.5185 13.1595 13.1595 13.1780 13.1780 13.6801 13.6801 13.6903 13.6903 14.0800 14.0800 k = 0.5000-0.0000 0.1015 ( 3456 PWs) bands (ev): -15.6369 -15.6369 -15.6362 -15.6362 -15.2410 -15.2410 -15.2400 -15.2400 -14.5294 -14.5294 -14.5292 -14.5292 1.3310 1.3310 1.3329 1.3329 1.5700 1.5700 1.5728 1.5728 2.0894 2.0894 2.1223 2.1223 2.5253 2.5253 2.5482 2.5482 3.2324 3.2324 3.2751 3.2751 4.1185 4.1185 4.1225 4.1225 4.5423 4.5423 4.5490 4.5490 5.2387 5.2387 5.2409 5.2409 5.5229 5.5229 5.5234 5.5234 13.1412 13.1412 13.1564 13.1564 13.6623 13.6623 13.6669 13.6669 14.0567 14.0567 k = 0.5000-0.0000 0.0888 ( 3450 PWs) bands (ev): -15.6396 -15.6396 -15.6390 -15.6390 -15.2373 -15.2373 -15.2363 -15.2363 -14.5332 -14.5332 -14.5330 -14.5330 1.3626 1.3626 1.3667 1.3667 1.5570 1.5570 1.5610 1.5610 2.0410 2.0410 2.0694 2.0694 2.5635 2.5635 2.5897 2.5897 3.2076 3.2076 3.2498 3.2498 4.1548 4.1548 4.1591 4.1591 4.5323 4.5323 4.5385 4.5385 5.2552 5.2552 5.2571 5.2571 5.5269 5.5269 5.5276 5.5276 13.1238 13.1238 13.1361 13.1361 13.6462 13.6462 13.6467 13.6467 14.0358 14.0358 k = 0.5000-0.0000 0.0761 ( 3452 PWs) bands (ev): -15.6420 -15.6420 -15.6414 -15.6414 -15.2339 -15.2339 -15.2331 -15.2331 -14.5366 -14.5366 -14.5364 -14.5364 1.3943 1.3943 1.4008 1.4008 1.5473 1.5473 1.5526 1.5526 1.9917 1.9917 2.0164 2.0164 2.6014 2.6014 2.6293 2.6293 3.1832 3.1832 3.2240 3.2240 4.1906 4.1906 4.1951 4.1951 4.5195 4.5195 4.5253 4.5253 5.2703 5.2703 5.2720 5.2720 5.5304 5.5304 5.5312 5.5312 13.1077 13.1077 13.1175 13.1175 13.6296 13.6296 13.6322 13.6322 14.0177 14.0177 k = 0.5000-0.0000 0.0635 ( 3456 PWs) bands (ev): -15.6441 -15.6441 -15.6436 -15.6436 -15.2310 -15.2310 -15.2303 -15.2303 -14.5395 -14.5395 -14.5394 -14.5394 1.4240 1.4240 1.4330 1.4330 1.5428 1.5428 1.5497 1.5497 1.9423 1.9423 1.9637 1.9637 2.6379 2.6379 2.6660 2.6660 3.1598 3.1598 3.1983 3.1983 4.2258 4.2258 4.2303 4.2303 4.5040 4.5040 4.5094 4.5094 5.2838 5.2838 5.2852 5.2852 5.5333 5.5333 5.5342 5.5342 13.0932 13.0932 13.1008 13.1008 13.6158 13.6158 13.6202 13.6202 14.0026 14.0026 k = 0.5000-0.0000 0.0508 ( 3464 PWs) bands (ev): -15.6458 -15.6458 -15.6453 -15.6453 -15.2285 -15.2285 -15.2279 -15.2279 -14.5420 -14.5420 -14.5419 -14.5419 1.4483 1.4483 1.4586 1.4586 1.5483 1.5483 1.5554 1.5554 1.8934 1.8934 1.9118 1.9118 2.6719 2.6719 2.6987 2.6987 3.1384 3.1384 3.1732 3.1732 4.2599 4.2599 4.2645 4.2645 4.4861 4.4861 4.4912 4.4912 5.2953 5.2953 5.2963 5.2964 5.5357 5.5357 5.5366 5.5366 13.0808 13.0808 13.0864 13.0864 13.6052 13.6052 13.6103 13.6103 13.9906 13.9906 k = 0.5000-0.0000 0.0381 ( 3458 PWs) bands (ev): -15.6471 -15.6471 -15.6468 -15.6468 -15.2265 -15.2265 -15.2261 -15.2261 -14.5440 -14.5439 -14.5439 -14.5439 1.4636 1.4636 1.4722 1.4722 1.5685 1.5685 1.5729 1.5729 1.8460 1.8460 1.8614 1.8614 2.7024 2.7024 2.7258 2.7258 3.1204 3.1204 3.1497 3.1497 4.2927 4.2927 4.2972 4.2972 4.4660 4.4660 4.4709 4.4709 5.3045 5.3045 5.3053 5.3053 5.5376 5.5376 5.5383 5.5383 13.0709 13.0709 13.0748 13.0748 13.5975 13.5975 13.6023 13.6023 13.9821 13.9821 k = 0.5000-0.0000 0.0254 ( 3458 PWs) bands (ev): -15.6480 -15.6480 -15.6478 -15.6478 -15.2251 -15.2251 -15.2248 -15.2248 -14.5454 -14.5454 -14.5453 -14.5453 1.4707 1.4707 1.4761 1.4761 1.5995 1.5995 1.6002 1.6002 1.8016 1.8016 1.8138 1.8138 2.7278 2.7278 2.7455 2.7455 3.1075 3.1075 3.1290 3.1290 4.3236 4.3236 4.3280 4.3280 4.4444 4.4444 4.4490 4.4490 5.3113 5.3113 5.3118 5.3118 5.5390 5.5390 5.5396 5.5396 13.0636 13.0636 13.0661 13.0661 13.5926 13.5926 13.5963 13.5963 13.9771 13.9771 k = 0.5000-0.0000 0.0127 ( 3450 PWs) bands (ev): -15.6485 -15.6485 -15.6484 -15.6484 -15.2242 -15.2242 -15.2240 -15.2240 -14.5462 -14.5462 -14.5462 -14.5462 1.4738 1.4738 1.4763 1.4763 1.6299 1.6299 1.6315 1.6315 1.7646 1.7646 1.7725 1.7725 2.7464 2.7464 2.7561 2.7561 3.1014 3.1014 3.1130 3.1130 4.3511 4.3511 4.3548 4.3548 4.4231 4.4231 4.4268 4.4268 5.3155 5.3155 5.3157 5.3157 5.5399 5.5399 5.5402 5.5402 13.0594 13.0594 13.0606 13.0606 13.5903 13.5903 13.5922 13.5922 13.9757 13.9758 k = 0.5000-0.0000-0.0000 ( 3442 PWs) bands (ev): -15.6487 -15.6487 -15.6487 -15.6487 -15.2238 -15.2238 -15.2238 -15.2238 -14.5465 -14.5465 -14.5465 -14.5465 1.4753 1.4753 1.4753 1.4753 1.6467 1.6467 1.6467 1.6467 1.7500 1.7500 1.7500 1.7500 2.7563 2.7563 2.7563 2.7563 3.1033 3.1033 3.1033 3.1033 4.3674 4.3674 4.3674 4.3674 4.4124 4.4124 4.4124 4.4124 5.3170 5.3170 5.3170 5.3170 5.5403 5.5403 5.5403 5.5403 13.0584 13.0584 13.0584 13.0584 13.5902 13.5902 13.5902 13.5902 13.9781 13.9781 k = 0.5000 0.4807-0.0000 ( 3468 PWs) bands (ev): -15.3852 -15.3852 -15.3852 -15.3852 -15.3404 -15.3404 -15.3404 -15.3404 -14.6404 -14.6404 -14.6404 -14.6404 1.5253 1.5253 1.5253 1.5253 2.1358 2.1358 2.1358 2.1358 2.2510 2.2510 2.2510 2.2510 2.9382 2.9382 2.9382 2.9382 3.8835 3.8835 3.8835 3.8835 3.9371 3.9371 3.9371 3.9371 4.1781 4.1781 4.1781 4.1781 5.1206 5.1206 5.1206 5.1206 5.1988 5.1988 5.1988 5.1988 12.4292 12.4292 12.4292 12.4292 12.8491 12.8491 12.8491 12.8491 14.2657 14.2657 k = 0.5000 0.4807 0.0127 ( 3476 PWs) bands (ev): -15.3856 -15.3856 -15.3856 -15.3856 -15.3405 -15.3405 -15.3392 -15.3392 -14.6409 -14.6409 -14.6395 -14.6395 1.5236 1.5236 1.5268 1.5268 2.1139 2.1139 2.1461 2.1461 2.2444 2.2444 2.2685 2.2685 2.9377 2.9377 2.9398 2.9398 3.8687 3.8687 3.8849 3.8849 3.9355 3.9355 3.9462 3.9462 4.1784 4.1784 4.1791 4.1791 5.1184 5.1184 5.1210 5.1210 5.1988 5.1988 5.2007 5.2007 12.4288 12.4288 12.4318 12.4318 12.8506 12.8506 12.8513 12.8513 14.2645 14.2645 k = 0.5000 0.4807 0.0254 ( 3480 PWs) bands (ev): -15.3868 -15.3868 -15.3868 -15.3868 -15.3397 -15.3397 -15.3371 -15.3371 -14.6410 -14.6409 -14.6382 -14.6382 1.5217 1.5217 1.5280 1.5280 2.0869 2.0869 2.1397 2.1397 2.2538 2.2538 2.2905 2.2905 2.9384 2.9384 2.9426 2.9426 3.8473 3.8473 3.8718 3.8718 3.9423 3.9423 3.9559 3.9559 4.1800 4.1800 4.1814 4.1814 5.1147 5.1147 5.1195 5.1195 5.2010 5.2010 5.2045 5.2045 12.4305 12.4305 12.4366 12.4366 12.8558 12.8558 12.8574 12.8574 14.2629 14.2629 k = 0.5000 0.4807 0.0381 ( 3496 PWs) bands (ev): -15.3886 -15.3886 -15.3885 -15.3885 -15.3380 -15.3380 -15.3343 -15.3343 -14.6406 -14.6406 -14.6366 -14.6365 1.5194 1.5194 1.5287 1.5287 2.0582 2.0582 2.1222 2.1222 2.2738 2.2738 2.3138 2.3138 2.9404 2.9404 2.9465 2.9465 3.8221 3.8221 3.8512 3.8512 3.9504 3.9504 3.9634 3.9634 4.1828 4.1828 4.1849 4.1849 5.1098 5.1098 5.1164 5.1164 5.2051 5.2051 5.2096 5.2096 12.4345 12.4345 12.4434 12.4434 12.8645 12.8645 12.8670 12.8670 14.2608 14.2608 k = 0.5000 0.4807 0.0508 ( 3500 PWs) bands (ev): -15.3909 -15.3909 -15.3907 -15.3907 -15.3357 -15.3357 -15.3309 -15.3309 -14.6398 -14.6398 -14.6345 -14.6345 1.5163 1.5163 1.5287 1.5287 2.0293 2.0293 2.1006 2.1006 2.2980 2.2980 2.3375 2.3375 2.9435 2.9435 2.9514 2.9514 3.7943 3.7943 3.8269 3.8269 3.9564 3.9564 3.9680 3.9680 4.1869 4.1869 4.1894 4.1894 5.1039 5.1039 5.1118 5.1118 5.2109 5.2109 5.2160 5.2160 12.4409 12.4409 12.4525 12.4525 12.8767 12.8767 12.8802 12.8802 14.2583 14.2583 k = 0.5000 0.4807 0.0635 ( 3500 PWs) bands (ev): -15.3935 -15.3935 -15.3930 -15.3930 -15.3328 -15.3328 -15.3271 -15.3271 -14.6386 -14.6386 -14.6320 -14.6320 1.5120 1.5120 1.5274 1.5274 2.0016 2.0016 2.0782 2.0782 2.3233 2.3233 2.3609 2.3609 2.9478 2.9478 2.9572 2.9572 3.7645 3.7645 3.8001 3.8001 3.9593 3.9593 3.9692 3.9692 4.1920 4.1920 4.1946 4.1946 5.0974 5.0974 5.1061 5.1061 5.2180 5.2180 5.2234 5.2234 12.4498 12.4498 12.4638 12.4638 12.8921 12.8921 12.8967 12.8967 14.2552 14.2552 k = 0.5000 0.4807 0.0761 ( 3492 PWs) bands (ev): -15.3962 -15.3962 -15.3955 -15.3955 -15.3296 -15.3296 -15.3230 -15.3230 -14.6369 -14.6369 -14.6292 -14.6292 1.5061 1.5061 1.5240 1.5240 1.9761 1.9761 2.0570 2.0570 2.3488 2.3488 2.3838 2.3838 2.9532 2.9532 2.9639 2.9639 3.7328 3.7328 3.7713 3.7713 3.9588 3.9588 3.9673 3.9673 4.1978 4.1978 4.2003 4.2003 5.0903 5.0903 5.0995 5.0995 5.2262 5.2262 5.2317 5.2317 12.4614 12.4614 12.4775 12.4775 12.9103 12.9103 12.9163 12.9163 14.2516 14.2516 k = 0.5000 0.4807 0.0888 ( 3492 PWs) bands (ev): -15.3990 -15.3990 -15.3981 -15.3981 -15.3261 -15.3261 -15.3187 -15.3187 -14.6349 -14.6348 -14.6261 -14.6261 1.4979 1.4979 1.5179 1.5179 1.9539 1.9539 2.0380 2.0380 2.3738 2.3738 2.4062 2.4062 2.9597 2.9597 2.9714 2.9714 3.6995 3.6995 3.7408 3.7408 3.9550 3.9550 3.9624 3.9624 4.2038 4.2038 4.2061 4.2061 5.0828 5.0828 5.0924 5.0924 5.2354 5.2354 5.2407 5.2407 12.4757 12.4757 12.4937 12.4937 12.9312 12.9312 12.9386 12.9386 14.2473 14.2473 k = 0.5000 0.4807 0.1015 ( 3492 PWs) bands (ev): -15.4018 -15.4018 -15.4007 -15.4007 -15.3225 -15.3225 -15.3144 -15.3144 -14.6324 -14.6324 -14.6226 -14.6226 1.4869 1.4869 1.5082 1.5082 1.9362 1.9362 2.0224 2.0224 2.3983 2.3983 2.4280 2.4280 2.9672 2.9672 2.9796 2.9796 3.6649 3.6649 3.7090 3.7090 3.9483 3.9483 3.9548 3.9548 4.2097 4.2097 4.2115 4.2115 5.0750 5.0750 5.0847 5.0847 5.2452 5.2452 5.2503 5.2503 12.4929 12.4929 12.5124 12.5124 12.9544 12.9544 12.9634 12.9634 14.2424 14.2424 k = 0.5000 0.4807 0.1142 ( 3508 PWs) bands (ev): -15.4045 -15.4045 -15.4032 -15.4032 -15.3189 -15.3189 -15.3101 -15.3101 -14.6296 -14.6296 -14.6190 -14.6190 1.4727 1.4727 1.4942 1.4942 1.9239 1.9239 2.0109 2.0109 2.4222 2.4222 2.4491 2.4491 2.9756 2.9756 2.9884 2.9884 3.6290 3.6290 3.6759 3.6759 3.9389 3.9389 3.9448 3.9448 4.2151 4.2151 4.2163 4.2163 5.0670 5.0670 5.0767 5.0767 5.2557 5.2557 5.2604 5.2604 12.5131 12.5131 12.5337 12.5337 12.9796 12.9796 12.9903 12.9903 14.2366 14.2366 k = 0.5000 0.4807 0.1269 ( 3512 PWs) bands (ev): -15.4071 -15.4071 -15.4056 -15.4056 -15.3152 -15.3152 -15.3059 -15.3059 -14.6264 -14.6264 -14.6150 -14.6150 1.4551 1.4551 1.4757 1.4757 1.9176 1.9176 2.0041 2.0041 2.4453 2.4453 2.4697 2.4697 2.9849 2.9849 2.9976 2.9976 3.5920 3.5920 3.6417 3.6417 3.9272 3.9272 3.9326 3.9326 4.2197 4.2197 4.2203 4.2203 5.0588 5.0588 5.0685 5.0685 5.2667 5.2667 5.2711 5.2711 12.5362 12.5362 12.5577 12.5577 13.0065 13.0065 13.0189 13.0189 14.2301 14.2301 k = 0.5000 0.4807 0.1396 ( 3516 PWs) bands (ev): -15.4095 -15.4095 -15.4079 -15.4079 -15.3115 -15.3115 -15.3017 -15.3017 -14.6229 -14.6229 -14.6109 -14.6109 1.4338 1.4338 1.4528 1.4528 1.9173 1.9173 2.0022 2.0022 2.4678 2.4678 2.4897 2.4897 2.9950 2.9950 3.0072 3.0072 3.5539 3.5539 3.6065 3.6065 3.9134 3.9134 3.9187 3.9187 4.2232 4.2232 4.2232 4.2232 5.0506 5.0506 5.0602 5.0602 5.2780 5.2780 5.2821 5.2821 12.5624 12.5624 12.5845 12.5845 13.0348 13.0348 13.0490 13.0490 14.2225 14.2225 k = 0.5000 0.4807 0.1523 ( 3512 PWs) bands (ev): -15.4118 -15.4118 -15.4100 -15.4100 -15.3078 -15.3078 -15.2977 -15.2977 -14.6191 -14.6191 -14.6065 -14.6065 1.4094 1.4094 1.4259 1.4259 1.9228 1.9229 2.0053 2.0053 2.4896 2.4896 2.5091 2.5092 3.0058 3.0058 3.0171 3.0171 3.5149 3.5149 3.5705 3.5705 3.8980 3.8980 3.9031 3.9031 4.2249 4.2249 4.2256 4.2256 5.0424 5.0424 5.0519 5.0519 5.2896 5.2896 5.2934 5.2934 12.5916 12.5916 12.6139 12.6139 13.0642 13.0642 13.0802 13.0802 14.2139 14.2139 k = 0.5000 0.4807 0.1650 ( 3504 PWs) bands (ev): -15.4139 -15.4139 -15.4120 -15.4120 -15.3043 -15.3043 -15.2939 -15.2939 -14.6151 -14.6151 -14.6021 -14.6021 1.3820 1.3820 1.3959 1.3959 1.9337 1.9337 2.0131 2.0131 2.5108 2.5108 2.5281 2.5281 3.0173 3.0173 3.0271 3.0271 3.4750 3.4750 3.5339 3.5339 3.8811 3.8811 3.8862 3.8862 4.2253 4.2253 4.2266 4.2266 5.0344 5.0344 5.0437 5.0437 5.3013 5.3013 5.3049 5.3049 12.6238 12.6238 12.6460 12.6460 13.0943 13.0943 13.1120 13.1120 14.2041 14.2041 k = 0.5000 0.4807 0.1777 ( 3512 PWs) bands (ev): -15.4158 -15.4158 -15.4139 -15.4139 -15.3008 -15.3008 -15.2902 -15.2902 -14.6108 -14.6108 -14.5976 -14.5976 1.3524 1.3524 1.3635 1.3635 1.9491 1.9491 2.0254 2.0254 2.5313 2.5313 2.5465 2.5465 3.0292 3.0292 3.0370 3.0370 3.4343 3.4343 3.4967 3.4967 3.8628 3.8628 3.8680 3.8680 4.2246 4.2246 4.2263 4.2263 5.0266 5.0266 5.0356 5.0356 5.3130 5.3130 5.3164 5.3164 12.6589 12.6589 12.6808 12.6808 13.1250 13.1250 13.1443 13.1443 14.1930 14.1930 k = 0.5000 0.4807 0.1904 ( 3504 PWs) bands (ev): -15.4176 -15.4176 -15.4156 -15.4156 -15.2975 -15.2975 -15.2868 -15.2868 -14.6063 -14.6063 -14.5930 -14.5930 1.3211 1.3211 1.3297 1.3297 1.9685 1.9685 2.0417 2.0417 2.5512 2.5512 2.5644 2.5644 3.0416 3.0416 3.0466 3.0466 3.3929 3.3929 3.4593 3.4593 3.8436 3.8436 3.8490 3.8490 4.2226 4.2226 4.2248 4.2248 5.0190 5.0190 5.0278 5.0278 5.3247 5.3247 5.3278 5.3278 12.6969 12.6969 12.7181 12.7181 13.1558 13.1558 13.1766 13.1766 14.1804 14.1804 k = 0.5000 0.4807 0.2031 ( 3504 PWs) bands (ev): -15.4191 -15.4191 -15.4172 -15.4172 -15.2942 -15.2942 -15.2836 -15.2836 -14.6017 -14.6017 -14.5884 -14.5884 1.2889 1.2889 1.2952 1.2952 1.9914 1.9914 2.0616 2.0616 2.5705 2.5705 2.5817 2.5817 3.0541 3.0541 3.0557 3.0557 3.3511 3.3511 3.4219 3.4219 3.8235 3.8235 3.8291 3.8291 4.2196 4.2196 4.2220 4.2220 5.0118 5.0118 5.0203 5.0203 5.3361 5.3361 5.3391 5.3391 12.7376 12.7376 12.7578 12.7578 13.1866 13.1866 13.2086 13.2086 14.1661 14.1661 k = 0.5000 0.4807 0.2158 ( 3500 PWs) bands (ev): -15.4205 -15.4205 -15.4187 -15.4187 -15.2912 -15.2912 -15.2806 -15.2806 -14.5970 -14.5970 -14.5839 -14.5839 1.2562 1.2562 1.2606 1.2606 2.0173 2.0173 2.0846 2.0846 2.5891 2.5891 2.5983 2.5983 3.0636 3.0636 3.0666 3.0666 3.3092 3.3092 3.3851 3.3851 3.8027 3.8027 3.8085 3.8085 4.2155 4.2155 4.2182 4.2182 5.0050 5.0050 5.0131 5.0131 5.3473 5.3473 5.3500 5.3500 12.7808 12.7808 12.7998 12.7998 13.2171 13.2171 13.2401 13.2401 14.1500 14.1500 k = 0.5000 0.4807 0.2284 ( 3496 PWs) bands (ev): -15.4218 -15.4218 -15.4200 -15.4200 -15.2883 -15.2883 -15.2779 -15.2779 -14.5923 -14.5923 -14.5794 -14.5794 1.2236 1.2236 1.2264 1.2264 2.0459 2.0459 2.1105 2.1105 2.6070 2.6070 2.6143 2.6143 3.0699 3.0699 3.0784 3.0784 3.2676 3.2676 3.3496 3.3496 3.7815 3.7815 3.7875 3.7875 4.2107 4.2107 4.2135 4.2135 4.9985 4.9985 5.0063 5.0063 5.3581 5.3581 5.3607 5.3607 12.8263 12.8263 12.8439 12.8439 13.2469 13.2469 13.2707 13.2707 14.1320 14.1320 k = 0.5000 0.4807 0.2411 ( 3488 PWs) bands (ev): -15.4229 -15.4229 -15.4212 -15.4212 -15.2855 -15.2855 -15.2755 -15.2755 -14.5876 -14.5876 -14.5751 -14.5751 1.1917 1.1917 1.1932 1.1932 2.0767 2.0767 2.1387 2.1387 2.6242 2.6242 2.6296 2.6296 3.0733 3.0733 3.0883 3.0883 3.2279 3.2279 3.3166 3.3166 3.7600 3.7600 3.7662 3.7662 4.2052 4.2052 4.2081 4.2081 4.9926 4.9926 4.9999 4.9999 5.3684 5.3684 5.3708 5.3708 12.8740 12.8740 12.8899 12.8899 13.2759 13.2759 13.3002 13.3002 14.1118 14.1118 k = 0.5000 0.4807 0.2538 ( 3492 PWs) bands (ev): -15.4238 -15.4238 -15.4222 -15.4222 -15.2829 -15.2829 -15.2733 -15.2733 -14.5829 -14.5829 -14.5710 -14.5710 1.1608 1.1608 1.1613 1.1613 2.1095 2.1095 2.1691 2.1691 2.6405 2.6405 2.6439 2.6439 3.0723 3.0723 3.0928 3.0928 3.1934 3.1934 3.2876 3.2876 3.7384 3.7384 3.7449 3.7449 4.1991 4.1991 4.2020 4.2020 4.9871 4.9871 4.9940 4.9940 5.3781 5.3782 5.3804 5.3804 12.9235 12.9235 12.9374 12.9374 13.3039 13.3039 13.3283 13.3283 14.0894 14.0894 k = 0.5000 0.4807 0.2665 ( 3488 PWs) bands (ev): -15.4246 -15.4246 -15.4231 -15.4231 -15.2805 -15.2805 -15.2714 -15.2714 -14.5784 -14.5784 -14.5672 -14.5672 1.1312 1.1312 1.1314 1.1314 2.1440 2.1440 2.2012 2.2012 2.6558 2.6558 2.6573 2.6573 3.0649 3.0649 3.0834 3.0834 3.1728 3.1728 3.2648 3.2648 3.7170 3.7170 3.7236 3.7236 4.1929 4.1929 4.1956 4.1956 4.9821 4.9821 4.9886 4.9886 5.3873 5.3873 5.3894 5.3894 12.9745 12.9745 12.9862 12.9862 13.3306 13.3306 13.3547 13.3547 14.0648 14.0648 k = 0.5000 0.4807 0.2792 ( 3488 PWs) bands (ev): -15.4253 -15.4253 -15.4239 -15.4239 -15.2783 -15.2783 -15.2698 -15.2698 -14.5740 -14.5740 -14.5636 -14.5636 1.1030 1.1030 1.1038 1.1038 2.1800 2.1800 2.2348 2.2348 2.6694 2.6694 2.6702 2.6702 3.0496 3.0496 3.0559 3.0559 3.1704 3.1704 3.2497 3.2497 3.6959 3.6959 3.7026 3.7026 4.1865 4.1865 4.1891 4.1891 4.9777 4.9777 4.9836 4.9836 5.3957 5.3957 5.3977 5.3977 13.0266 13.0266 13.0359 13.0359 13.3558 13.3558 13.3793 13.3793 14.0378 14.0378 k = 0.5000 0.4807 0.2919 ( 3484 PWs) bands (ev): -15.4259 -15.4259 -15.4247 -15.4247 -15.2762 -15.2762 -15.2684 -15.2684 -14.5699 -14.5699 -14.5604 -14.5604 1.0772 1.0772 1.0783 1.0783 2.2172 2.2172 2.2694 2.2694 2.6802 2.6802 2.6833 2.6833 3.0187 3.0187 3.0268 3.0268 3.1780 3.1780 3.2422 3.2422 3.6754 3.6754 3.6822 3.6822 4.1802 4.1802 4.1826 4.1826 4.9737 4.9737 4.9791 4.9791 5.4035 5.4035 5.4052 5.4052 13.0793 13.0793 13.0861 13.0861 13.3795 13.3795 13.4019 13.4019 14.0088 14.0088 k = 0.5000 0.4807 0.3046 ( 3480 PWs) bands (ev): -15.4264 -15.4264 -15.4253 -15.4253 -15.2743 -15.2743 -15.2673 -15.2673 -14.5660 -14.5660 -14.5575 -14.5575 1.0539 1.0539 1.0552 1.0552 2.2552 2.2552 2.3047 2.3047 2.6894 2.6894 2.6949 2.6949 2.9785 2.9785 2.9982 2.9982 3.1891 3.1891 3.2405 3.2405 3.6559 3.6559 3.6626 3.6626 4.1741 4.1741 4.1763 4.1763 4.9703 4.9703 4.9751 4.9751 5.4104 5.4104 5.4119 5.4120 13.1319 13.1319 13.1361 13.1361 13.4014 13.4014 13.4223 13.4223 13.9778 13.9778 k = 0.5000 0.4807 0.3173 ( 3472 PWs) bands (ev): -15.4267 -15.4267 -15.4258 -15.4258 -15.2725 -15.2725 -15.2664 -15.2664 -14.5625 -14.5625 -14.5550 -14.5550 1.0334 1.0334 1.0347 1.0347 2.2937 2.2937 2.3402 2.3402 2.6968 2.6968 2.7047 2.7047 2.9383 2.9383 2.9664 2.9664 3.2014 3.2014 3.2425 3.2425 3.6377 3.6377 3.6441 3.6441 4.1685 4.1685 4.1704 4.1704 4.9674 4.9674 4.9716 4.9716 5.4165 5.4165 5.4178 5.4178 13.1836 13.1836 13.1851 13.1851 13.4215 13.4215 13.4406 13.4406 13.9455 13.9455 k = 0.5000 0.4807 0.3300 ( 3468 PWs) bands (ev): -15.4270 -15.4270 -15.4262 -15.4262 -15.2710 -15.2710 -15.2658 -15.2658 -14.5593 -14.5593 -14.5530 -14.5529 1.0157 1.0157 1.0170 1.0170 2.3322 2.3322 2.3751 2.3751 2.7019 2.7019 2.7121 2.7121 2.8999 2.8999 2.9335 2.9335 3.2137 3.2137 3.2464 3.2464 3.6212 3.6212 3.6272 3.6272 4.1635 4.1635 4.1651 4.1651 4.9650 4.9650 4.9685 4.9685 5.4217 5.4217 5.4229 5.4229 13.2323 13.2323 13.2332 13.2332 13.4399 13.4399 13.4566 13.4566 13.9126 13.9126 k = 0.5000 0.4807 0.3427 ( 3472 PWs) bands (ev): -15.4272 -15.4272 -15.4266 -15.4266 -15.2696 -15.2696 -15.2654 -15.2654 -14.5565 -14.5565 -14.5514 -14.5514 1.0011 1.0011 1.0022 1.0022 2.3699 2.3699 2.4083 2.4083 2.7044 2.7044 2.7162 2.7162 2.8657 2.8657 2.9015 2.9015 3.2253 3.2253 3.2508 3.2508 3.6068 3.6068 3.6121 3.6121 4.1593 4.1593 4.1605 4.1605 4.9631 4.9631 4.9659 4.9659 5.4260 5.4260 5.4270 5.4270 13.2761 13.2761 13.2789 13.2789 13.4567 13.4567 13.4706 13.4706 13.8803 13.8803 k = 0.5000 0.4807 0.3554 ( 3472 PWs) bands (ev): -15.4274 -15.4274 -15.4269 -15.4269 -15.2684 -15.2684 -15.2652 -15.2652 -14.5542 -14.5542 -14.5503 -14.5503 0.9897 0.9897 0.9906 0.9906 2.4057 2.4057 2.4382 2.4382 2.7041 2.7041 2.7154 2.7154 2.8386 2.8386 2.8725 2.8725 3.2358 3.2358 3.2547 3.2547 3.5951 3.5951 3.5995 3.5995 4.1559 4.1559 4.1568 4.1568 4.9617 4.9617 4.9639 4.9639 5.4294 5.4294 5.4302 5.4302 13.3147 13.3147 13.3185 13.3185 13.4721 13.4721 13.4825 13.4825 13.8508 13.8508 k = 0.5000 0.4807 0.3680 ( 3464 PWs) bands (ev): -15.4275 -15.4275 -15.4271 -15.4271 -15.2674 -15.2674 -15.2652 -15.2652 -14.5523 -14.5523 -14.5496 -14.5496 0.9815 0.9815 0.9821 0.9821 2.4377 2.4377 2.4621 2.4621 2.7011 2.7011 2.7094 2.7094 2.8219 2.8219 2.8483 2.8483 3.2447 3.2447 3.2572 3.2572 3.5866 3.5866 3.5897 3.5897 4.1534 4.1534 4.1540 4.1540 4.9609 4.9609 4.9623 4.9623 5.4319 5.4319 5.4324 5.4324 13.3454 13.3454 13.3491 13.3491 13.4856 13.4856 13.4923 13.4923 13.8268 13.8268 k = 0.5000 0.4807 0.3807 ( 3464 PWs) bands (ev): -15.4275 -15.4275 -15.4273 -15.4273 -15.2666 -15.2666 -15.2655 -15.2655 -14.5509 -14.5509 -14.5495 -14.5495 0.9766 0.9766 0.9769 0.9769 2.4627 2.4627 2.4762 2.4762 2.6974 2.6974 2.7013 2.7013 2.8161 2.8161 2.8304 2.8304 3.2514 3.2514 3.2577 3.2577 3.5816 3.5816 3.5832 3.5832 4.1520 4.1520 4.1523 4.1523 4.9605 4.9605 4.9612 4.9612 5.4335 5.4335 5.4337 5.4337 13.3657 13.3657 13.3679 13.3679 13.4959 13.4959 13.4991 13.4991 13.8124 13.8124 k = 0.5000 0.4807 0.3934 ( 3464 PWs) bands (ev): -15.4274 -15.4274 -15.4274 -15.4274 -15.2659 -15.2659 -15.2659 -15.2659 -14.5500 -14.5500 -14.5499 -14.5499 0.9751 0.9751 0.9751 0.9751 2.4766 2.4766 2.4766 2.4766 2.6965 2.6965 2.6965 2.6965 2.8195 2.8195 2.8195 2.8195 3.2558 3.2558 3.2558 3.2558 3.5805 3.5805 3.5805 3.5805 4.1516 4.1516 4.1516 4.1516 4.9606 4.9606 4.9606 4.9606 5.4341 5.4341 5.4341 5.4341 13.3735 13.3735 13.3735 13.3735 13.5008 13.5008 13.5008 13.5008 13.8111 13.8111 Writing output data file LaF3.save init_run : 0.32s CPU 0.65s WALL ( 1 calls) electrons : 877.47s CPU 886.49s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.11s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 877.46s CPU 886.47s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.05s CPU 0.05s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.05s WALL ( 444 calls) cegterg : 847.32s CPU 855.70s WALL ( 1689 calls) Called by sum_band: Called by *egterg: h_psi : 452.33s CPU 470.61s WALL ( 32229 calls) s_psi : 17.24s CPU 17.96s WALL ( 32229 calls) g_psi : 0.91s CPU 1.00s WALL ( 30096 calls) cdiaghg : 299.39s CPU 288.61s WALL ( 30540 calls) cegterg:over : 41.37s CPU 38.17s WALL ( 30096 calls) cegterg:upda : 12.16s CPU 19.91s WALL ( 30096 calls) cegterg:last : 12.20s CPU 14.03s WALL ( 4259 calls) Called by h_psi: h_psi:vloc : 414.42s CPU 424.10s WALL ( 32229 calls) h_psi:vnl : 37.65s CPU 45.77s WALL ( 32229 calls) add_vuspsi : 15.45s CPU 21.67s WALL ( 32229 calls) General routines calbec : 22.16s CPU 24.02s WALL ( 32229 calls) fft : 0.03s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 410.38s CPU 410.20s WALL ( 2872040 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.07s CPU 0.39s WALL ( 888 calls) Parallel routines fft_scatter : 378.56s CPU 303.15s WALL ( 2872063 calls) PWSCF : 15m14.04s CPU 15m35.50s WALL This run was terminated on: 17:38:41 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=