Program PWSCF v.5.1.1 starts on 16Jul2015 at 16:34:14 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: ./PtO2.save/ file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 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 54 23 7 2048 577 99 Max 55 24 9 2051 590 101 Sum 1743 745 235 65559 18713 3191 bravais-lattice index = 14 lattice parameter (alat) = 5.9262 a.u. unit-cell volume = 430.6662 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 5.926181 celldm(2)= 1.429815 celldm(3)= 1.447226 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 1.429815 0.000000 ) a(3) = ( 0.000000 0.000000 1.447226 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.699391 -0.000000 ) b(3) = ( 0.000000 0.000000 0.690977 ) PseudoPot. # 1 for O read from file: /home/autes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Pt read from file: /home/autes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential O 6.00 15.99940 O( 1.00) Pt 10.00 195.08400 Pt( 1.00) 8 Sym. Ops., with inversion, found ( 4 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.7149075 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7236129 ) isym = 3 180 deg rotation - cart. axis [0,1,0] cryst. s( 3) = ( -1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.7149075 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7236129 ) isym = 4 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( 1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 5 inversion cryst. s( 5) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 5) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 6 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 6) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 6) = ( 1.0000000 0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.7149075 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.7236129 ) isym = 7 inv. 180 deg rotation - cart. axis [0,1,0] cryst. s( 7) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 1 ) ( 0.5000000 ) cart. s( 7) = ( 1.0000000 -0.0000000 0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.7149075 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.7236129 ) isym = 8 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 8) = ( -1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 8) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group D_2h (mmm) there are 10 classes and 2 irreducible representations the character table: E -E C2 C2' C2'' i -i s_v s_v' s_v'' -C2 -C2' -C2'' -s_v -s_v' -s_v' G_5+ 2.00 -2.00 0.00 0.00 0.00 2.00 -2.00 0.00 0.00 0.00 G_5- 2.00 -2.00 0.00 0.00 0.00 -2.00 2.00 0.00 0.00 0.00 the symmetry operations in each class: E 1 C2 -C2 2 -2 C2' -C2' 3 -3 C2'' -C2'' 4 -4 i 5 s_v -s_v 6 -6 s_v'-s_v' 7 -7 s_v''-s_v' 8 -8 -E -1 -i -5 Cartesian axes number of k points= 500 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020000 k( 2) = ( 0.0098039 -0.0000000 -0.0000000), wk = 0.0020000 k( 3) = ( 0.0196078 -0.0000000 -0.0000000), wk = 0.0020000 k( 4) = ( 0.0294118 -0.0000000 -0.0000000), wk = 0.0020000 k( 5) = ( 0.0392157 -0.0000000 -0.0000000), wk = 0.0020000 k( 6) = ( 0.0490196 -0.0000000 -0.0000000), wk = 0.0020000 k( 7) = ( 0.0588235 -0.0000000 -0.0000000), wk = 0.0020000 k( 8) = ( 0.0686275 -0.0000000 -0.0000000), wk = 0.0020000 k( 9) = ( 0.0784314 -0.0000000 -0.0000000), wk = 0.0020000 k( 10) = ( 0.0882353 -0.0000000 -0.0000000), wk = 0.0020000 k( 11) = ( 0.0980392 -0.0000000 -0.0000000), wk = 0.0020000 k( 12) = ( 0.1078431 -0.0000000 -0.0000000), wk = 0.0020000 k( 13) = ( 0.1176471 -0.0000000 -0.0000000), wk = 0.0020000 k( 14) = ( 0.1274510 -0.0000000 -0.0000000), wk = 0.0020000 k( 15) = ( 0.1372549 -0.0000000 -0.0000000), wk = 0.0020000 k( 16) = ( 0.1470588 -0.0000000 -0.0000000), wk = 0.0020000 k( 17) = ( 0.1568627 -0.0000000 -0.0000000), wk = 0.0020000 k( 18) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0020000 k( 19) = ( 0.1764706 -0.0000000 -0.0000000), wk = 0.0020000 k( 20) = ( 0.1862745 -0.0000000 -0.0000000), wk = 0.0020000 k( 21) = ( 0.1960784 -0.0000000 -0.0000000), wk = 0.0020000 k( 22) = ( 0.2058823 -0.0000000 -0.0000000), wk = 0.0020000 k( 23) = ( 0.2156863 -0.0000000 -0.0000000), wk = 0.0020000 k( 24) = ( 0.2254902 -0.0000000 -0.0000000), wk = 0.0020000 k( 25) = ( 0.2352941 -0.0000000 -0.0000000), wk = 0.0020000 k( 26) = ( 0.2450980 -0.0000000 -0.0000000), wk = 0.0020000 k( 27) = ( 0.2549020 -0.0000000 -0.0000000), wk = 0.0020000 k( 28) = ( 0.2647059 -0.0000000 -0.0000000), wk = 0.0020000 k( 29) = ( 0.2745098 -0.0000000 -0.0000000), wk = 0.0020000 k( 30) = ( 0.2843137 -0.0000000 -0.0000000), wk = 0.0020000 k( 31) = ( 0.2941177 -0.0000000 -0.0000000), wk = 0.0020000 k( 32) = ( 0.3039216 -0.0000000 -0.0000000), wk = 0.0020000 k( 33) = ( 0.3137255 -0.0000000 -0.0000000), wk = 0.0020000 k( 34) = ( 0.3235294 -0.0000000 -0.0000000), wk = 0.0020000 k( 35) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0020000 k( 36) = ( 0.3431373 -0.0000000 -0.0000000), wk = 0.0020000 k( 37) = ( 0.3529412 -0.0000000 -0.0000000), wk = 0.0020000 k( 38) = ( 0.3627451 -0.0000000 -0.0000000), wk = 0.0020000 k( 39) = ( 0.3725490 -0.0000000 -0.0000000), wk = 0.0020000 k( 40) = ( 0.3823529 -0.0000000 -0.0000000), wk = 0.0020000 k( 41) = ( 0.3921569 -0.0000000 -0.0000000), wk = 0.0020000 k( 42) = ( 0.4019608 -0.0000000 -0.0000000), wk = 0.0020000 k( 43) = ( 0.4117647 -0.0000000 -0.0000000), wk = 0.0020000 k( 44) = ( 0.4215686 -0.0000000 -0.0000000), wk = 0.0020000 k( 45) = ( 0.4313726 -0.0000000 -0.0000000), wk = 0.0020000 k( 46) = ( 0.4411765 -0.0000000 -0.0000000), wk = 0.0020000 k( 47) = ( 0.4509804 -0.0000000 -0.0000000), wk = 0.0020000 k( 48) = ( 0.4607843 -0.0000000 -0.0000000), wk = 0.0020000 k( 49) = ( 0.4705882 -0.0000000 -0.0000000), wk = 0.0020000 k( 50) = ( 0.4803922 -0.0000000 -0.0000000), wk = 0.0020000 k( 51) = ( 0.4901961 -0.0000000 -0.0000000), wk = 0.0020000 k( 52) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020000 k( 53) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020000 k( 54) = ( 0.5000000 0.0097138 -0.0000000), wk = 0.0020000 k( 55) = ( 0.5000000 0.0194275 -0.0000000), wk = 0.0020000 k( 56) = ( 0.5000000 0.0291413 -0.0000000), wk = 0.0020000 k( 57) = ( 0.5000000 0.0388551 -0.0000000), wk = 0.0020000 k( 58) = ( 0.5000000 0.0485688 -0.0000000), wk = 0.0020000 k( 59) = ( 0.5000000 0.0582826 -0.0000000), wk = 0.0020000 k( 60) = ( 0.5000000 0.0679964 -0.0000000), wk = 0.0020000 k( 61) = ( 0.5000000 0.0777101 -0.0000000), wk = 0.0020000 k( 62) = ( 0.5000000 0.0874239 -0.0000000), wk = 0.0020000 k( 63) = ( 0.5000000 0.0971377 -0.0000000), wk = 0.0020000 k( 64) = ( 0.5000000 0.1068514 -0.0000000), wk = 0.0020000 k( 65) = ( 0.5000000 0.1165652 -0.0000000), wk = 0.0020000 k( 66) = ( 0.5000000 0.1262790 -0.0000000), wk = 0.0020000 k( 67) = ( 0.5000000 0.1359927 -0.0000000), wk = 0.0020000 k( 68) = ( 0.5000000 0.1457065 -0.0000000), wk = 0.0020000 k( 69) = ( 0.5000000 0.1554203 -0.0000000), wk = 0.0020000 k( 70) = ( 0.5000000 0.1651340 -0.0000000), wk = 0.0020000 k( 71) = ( 0.5000000 0.1748478 -0.0000000), wk = 0.0020000 k( 72) = ( 0.5000000 0.1845616 -0.0000000), wk = 0.0020000 k( 73) = ( 0.5000000 0.1942753 -0.0000000), wk = 0.0020000 k( 74) = ( 0.5000000 0.2039891 -0.0000000), wk = 0.0020000 k( 75) = ( 0.5000000 0.2137029 -0.0000000), wk = 0.0020000 k( 76) = ( 0.5000000 0.2234166 -0.0000000), wk = 0.0020000 k( 77) = ( 0.5000000 0.2331304 -0.0000000), wk = 0.0020000 k( 78) = ( 0.5000000 0.2428441 -0.0000000), wk = 0.0020000 k( 79) = ( 0.5000000 0.2525579 -0.0000000), wk = 0.0020000 k( 80) = ( 0.5000000 0.2622717 -0.0000000), wk = 0.0020000 k( 81) = ( 0.5000000 0.2719854 -0.0000000), wk = 0.0020000 k( 82) = ( 0.5000000 0.2816992 -0.0000000), wk = 0.0020000 k( 83) = ( 0.5000000 0.2914130 -0.0000000), wk = 0.0020000 k( 84) = ( 0.5000000 0.3011268 -0.0000000), wk = 0.0020000 k( 85) = ( 0.5000000 0.3108405 -0.0000000), wk = 0.0020000 k( 86) = ( 0.5000000 0.3205543 -0.0000000), wk = 0.0020000 k( 87) = ( 0.5000000 0.3302680 -0.0000000), wk = 0.0020000 k( 88) = ( 0.5000000 0.3399818 -0.0000000), wk = 0.0020000 k( 89) = ( 0.5000000 0.3496956 -0.0000000), wk = 0.0020000 k( 90) = ( 0.5000000 0.3496956 -0.0000000), wk = 0.0020000 k( 91) = ( 0.4901961 0.3496956 -0.0000000), wk = 0.0020000 k( 92) = ( 0.4803922 0.3496956 -0.0000000), wk = 0.0020000 k( 93) = ( 0.4705882 0.3496956 -0.0000000), wk = 0.0020000 k( 94) = ( 0.4607843 0.3496956 -0.0000000), wk = 0.0020000 k( 95) = ( 0.4509804 0.3496956 -0.0000000), wk = 0.0020000 k( 96) = ( 0.4411765 0.3496956 -0.0000000), wk = 0.0020000 k( 97) = ( 0.4313726 0.3496956 -0.0000000), wk = 0.0020000 k( 98) = ( 0.4215686 0.3496956 -0.0000000), wk = 0.0020000 k( 99) = ( 0.4117647 0.3496956 -0.0000000), wk = 0.0020000 k( 100) = ( 0.4019608 0.3496956 -0.0000000), wk = 0.0020000 k( 101) = ( 0.3921569 0.3496956 -0.0000000), wk = 0.0020000 k( 102) = ( 0.3823529 0.3496956 -0.0000000), wk = 0.0020000 k( 103) = ( 0.3725490 0.3496956 -0.0000000), wk = 0.0020000 k( 104) = ( 0.3627451 0.3496956 -0.0000000), wk = 0.0020000 k( 105) = ( 0.3529412 0.3496956 -0.0000000), wk = 0.0020000 k( 106) = ( 0.3431373 0.3496956 -0.0000000), wk = 0.0020000 k( 107) = ( 0.3333333 0.3496956 -0.0000000), wk = 0.0020000 k( 108) = ( 0.3235294 0.3496956 -0.0000000), wk = 0.0020000 k( 109) = ( 0.3137255 0.3496956 -0.0000000), wk = 0.0020000 k( 110) = ( 0.3039216 0.3496956 -0.0000000), wk = 0.0020000 k( 111) = ( 0.2941177 0.3496956 -0.0000000), wk = 0.0020000 k( 112) = ( 0.2843137 0.3496956 -0.0000000), wk = 0.0020000 k( 113) = ( 0.2745098 0.3496956 -0.0000000), wk = 0.0020000 k( 114) = ( 0.2647059 0.3496956 -0.0000000), wk = 0.0020000 k( 115) = ( 0.2549020 0.3496956 -0.0000000), wk = 0.0020000 k( 116) = ( 0.2450980 0.3496956 -0.0000000), wk = 0.0020000 k( 117) = ( 0.2352941 0.3496956 -0.0000000), wk = 0.0020000 k( 118) = ( 0.2254902 0.3496956 -0.0000000), wk = 0.0020000 k( 119) = ( 0.2156863 0.3496956 -0.0000000), wk = 0.0020000 k( 120) = ( 0.2058823 0.3496956 -0.0000000), wk = 0.0020000 k( 121) = ( 0.1960784 0.3496956 -0.0000000), wk = 0.0020000 k( 122) = ( 0.1862745 0.3496956 -0.0000000), wk = 0.0020000 k( 123) = ( 0.1764706 0.3496956 -0.0000000), wk = 0.0020000 k( 124) = ( 0.1666667 0.3496956 -0.0000000), wk = 0.0020000 k( 125) = ( 0.1568627 0.3496956 -0.0000000), wk = 0.0020000 k( 126) = ( 0.1470588 0.3496956 -0.0000000), wk = 0.0020000 k( 127) = ( 0.1372549 0.3496956 -0.0000000), wk = 0.0020000 k( 128) = ( 0.1274510 0.3496956 -0.0000000), wk = 0.0020000 k( 129) = ( 0.1176471 0.3496956 -0.0000000), wk = 0.0020000 k( 130) = ( 0.1078431 0.3496956 -0.0000000), wk = 0.0020000 k( 131) = ( 0.0980392 0.3496956 -0.0000000), wk = 0.0020000 k( 132) = ( 0.0882353 0.3496956 -0.0000000), wk = 0.0020000 k( 133) = ( 0.0784314 0.3496956 -0.0000000), wk = 0.0020000 k( 134) = ( 0.0686275 0.3496956 -0.0000000), wk = 0.0020000 k( 135) = ( 0.0588235 0.3496956 -0.0000000), wk = 0.0020000 k( 136) = ( 0.0490196 0.3496956 -0.0000000), wk = 0.0020000 k( 137) = ( 0.0392157 0.3496956 -0.0000000), wk = 0.0020000 k( 138) = ( 0.0294118 0.3496956 -0.0000000), wk = 0.0020000 k( 139) = ( 0.0196078 0.3496956 -0.0000000), wk = 0.0020000 k( 140) = ( 0.0098039 0.3496956 -0.0000000), wk = 0.0020000 k( 141) = ( 0.0000000 0.3496956 -0.0000000), wk = 0.0020000 k( 142) = ( 0.0000000 0.3496956 -0.0000000), wk = 0.0020000 k( 143) = ( 0.0000000 0.3399818 -0.0000000), wk = 0.0020000 k( 144) = ( 0.0000000 0.3302680 -0.0000000), wk = 0.0020000 k( 145) = ( 0.0000000 0.3205543 -0.0000000), wk = 0.0020000 k( 146) = ( 0.0000000 0.3108405 -0.0000000), wk = 0.0020000 k( 147) = ( 0.0000000 0.3011268 -0.0000000), wk = 0.0020000 k( 148) = ( 0.0000000 0.2914130 -0.0000000), wk = 0.0020000 k( 149) = ( 0.0000000 0.2816992 -0.0000000), wk = 0.0020000 k( 150) = ( 0.0000000 0.2719854 -0.0000000), wk = 0.0020000 k( 151) = ( 0.0000000 0.2622717 -0.0000000), wk = 0.0020000 k( 152) = ( 0.0000000 0.2525579 -0.0000000), wk = 0.0020000 k( 153) = ( 0.0000000 0.2428441 -0.0000000), wk = 0.0020000 k( 154) = ( 0.0000000 0.2331304 -0.0000000), wk = 0.0020000 k( 155) = ( 0.0000000 0.2234166 -0.0000000), wk = 0.0020000 k( 156) = ( 0.0000000 0.2137029 -0.0000000), wk = 0.0020000 k( 157) = ( 0.0000000 0.2039891 -0.0000000), wk = 0.0020000 k( 158) = ( 0.0000000 0.1942753 -0.0000000), wk = 0.0020000 k( 159) = ( 0.0000000 0.1845616 -0.0000000), wk = 0.0020000 k( 160) = ( 0.0000000 0.1748478 -0.0000000), wk = 0.0020000 k( 161) = ( 0.0000000 0.1651340 -0.0000000), wk = 0.0020000 k( 162) = ( 0.0000000 0.1554203 -0.0000000), wk = 0.0020000 k( 163) = ( 0.0000000 0.1457065 -0.0000000), wk = 0.0020000 k( 164) = ( 0.0000000 0.1359927 -0.0000000), wk = 0.0020000 k( 165) = ( 0.0000000 0.1262790 -0.0000000), wk = 0.0020000 k( 166) = ( 0.0000000 0.1165652 -0.0000000), wk = 0.0020000 k( 167) = ( 0.0000000 0.1068514 -0.0000000), wk = 0.0020000 k( 168) = ( 0.0000000 0.0971377 -0.0000000), wk = 0.0020000 k( 169) = ( 0.0000000 0.0874239 -0.0000000), wk = 0.0020000 k( 170) = ( 0.0000000 0.0777101 -0.0000000), wk = 0.0020000 k( 171) = ( 0.0000000 0.0679964 -0.0000000), wk = 0.0020000 k( 172) = ( 0.0000000 0.0582826 -0.0000000), wk = 0.0020000 k( 173) = ( 0.0000000 0.0485688 -0.0000000), wk = 0.0020000 k( 174) = ( 0.0000000 0.0388551 -0.0000000), wk = 0.0020000 k( 175) = ( 0.0000000 0.0291413 -0.0000000), wk = 0.0020000 k( 176) = ( 0.0000000 0.0194275 -0.0000000), wk = 0.0020000 k( 177) = ( 0.0000000 0.0097138 -0.0000000), wk = 0.0020000 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020000 k( 179) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020000 k( 180) = ( 0.0000000 0.0000000 0.0098711), wk = 0.0020000 k( 181) = ( 0.0000000 0.0000000 0.0197422), wk = 0.0020000 k( 182) = ( 0.0000000 0.0000000 0.0296133), wk = 0.0020000 k( 183) = ( 0.0000000 0.0000000 0.0394844), wk = 0.0020000 k( 184) = ( 0.0000000 0.0000000 0.0493555), wk = 0.0020000 k( 185) = ( 0.0000000 0.0000000 0.0592266), wk = 0.0020000 k( 186) = ( 0.0000000 0.0000000 0.0690977), wk = 0.0020000 k( 187) = ( 0.0000000 0.0000000 0.0789688), wk = 0.0020000 k( 188) = ( 0.0000000 0.0000000 0.0888399), wk = 0.0020000 k( 189) = ( 0.0000000 0.0000000 0.0987110), wk = 0.0020000 k( 190) = ( 0.0000000 0.0000000 0.1085821), wk = 0.0020000 k( 191) = ( 0.0000000 0.0000000 0.1184532), wk = 0.0020000 k( 192) = ( 0.0000000 0.0000000 0.1283243), wk = 0.0020000 k( 193) = ( 0.0000000 0.0000000 0.1381954), wk = 0.0020000 k( 194) = ( 0.0000000 0.0000000 0.1480665), wk = 0.0020000 k( 195) = ( 0.0000000 0.0000000 0.1579376), wk = 0.0020000 k( 196) = ( 0.0000000 0.0000000 0.1678087), wk = 0.0020000 k( 197) = ( 0.0000000 0.0000000 0.1776799), wk = 0.0020000 k( 198) = ( 0.0000000 0.0000000 0.1875510), wk = 0.0020000 k( 199) = ( 0.0000000 0.0000000 0.1974221), wk = 0.0020000 k( 200) = ( 0.0000000 0.0000000 0.2072932), wk = 0.0020000 k( 201) = ( 0.0000000 0.0000000 0.2171643), wk = 0.0020000 k( 202) = ( 0.0000000 0.0000000 0.2270354), wk = 0.0020000 k( 203) = ( 0.0000000 0.0000000 0.2369065), wk = 0.0020000 k( 204) = ( 0.0000000 0.0000000 0.2467776), wk = 0.0020000 k( 205) = ( 0.0000000 0.0000000 0.2566487), wk = 0.0020000 k( 206) = ( 0.0000000 0.0000000 0.2665198), wk = 0.0020000 k( 207) = ( 0.0000000 0.0000000 0.2763909), wk = 0.0020000 k( 208) = ( 0.0000000 0.0000000 0.2862620), wk = 0.0020000 k( 209) = ( 0.0000000 0.0000000 0.2961331), wk = 0.0020000 k( 210) = ( 0.0000000 0.0000000 0.3060042), wk = 0.0020000 k( 211) = ( 0.0000000 0.0000000 0.3158753), wk = 0.0020000 k( 212) = ( 0.0000000 0.0000000 0.3257464), wk = 0.0020000 k( 213) = ( 0.0000000 0.0000000 0.3356175), wk = 0.0020000 k( 214) = ( 0.0000000 0.0000000 0.3454886), wk = 0.0020000 k( 215) = ( 0.0000000 0.0000000 0.3454886), wk = 0.0020000 k( 216) = ( 0.0098039 -0.0000000 0.3454886), wk = 0.0020000 k( 217) = ( 0.0196078 -0.0000000 0.3454886), wk = 0.0020000 k( 218) = ( 0.0294118 -0.0000000 0.3454886), wk = 0.0020000 k( 219) = ( 0.0392157 -0.0000000 0.3454886), wk = 0.0020000 k( 220) = ( 0.0490196 -0.0000000 0.3454886), wk = 0.0020000 k( 221) = ( 0.0588235 -0.0000000 0.3454886), wk = 0.0020000 k( 222) = ( 0.0686275 -0.0000000 0.3454886), wk = 0.0020000 k( 223) = ( 0.0784314 -0.0000000 0.3454886), wk = 0.0020000 k( 224) = ( 0.0882353 -0.0000000 0.3454886), wk = 0.0020000 k( 225) = ( 0.0980392 -0.0000000 0.3454886), wk = 0.0020000 k( 226) = ( 0.1078431 -0.0000000 0.3454886), wk = 0.0020000 k( 227) = ( 0.1176471 -0.0000000 0.3454886), wk = 0.0020000 k( 228) = ( 0.1274510 -0.0000000 0.3454886), wk = 0.0020000 k( 229) = ( 0.1372549 -0.0000000 0.3454886), wk = 0.0020000 k( 230) = ( 0.1470588 -0.0000000 0.3454886), wk = 0.0020000 k( 231) = ( 0.1568627 -0.0000000 0.3454886), wk = 0.0020000 k( 232) = ( 0.1666667 -0.0000000 0.3454886), wk = 0.0020000 k( 233) = ( 0.1764706 -0.0000000 0.3454886), wk = 0.0020000 k( 234) = ( 0.1862745 -0.0000000 0.3454886), wk = 0.0020000 k( 235) = ( 0.1960784 -0.0000000 0.3454886), wk = 0.0020000 k( 236) = ( 0.2058823 -0.0000000 0.3454886), wk = 0.0020000 k( 237) = ( 0.2156863 -0.0000000 0.3454886), wk = 0.0020000 k( 238) = ( 0.2254902 -0.0000000 0.3454886), wk = 0.0020000 k( 239) = ( 0.2352941 -0.0000000 0.3454886), wk = 0.0020000 k( 240) = ( 0.2450980 -0.0000000 0.3454886), wk = 0.0020000 k( 241) = ( 0.2549020 -0.0000000 0.3454886), wk = 0.0020000 k( 242) = ( 0.2647059 -0.0000000 0.3454886), wk = 0.0020000 k( 243) = ( 0.2745098 -0.0000000 0.3454886), wk = 0.0020000 k( 244) = ( 0.2843137 -0.0000000 0.3454886), wk = 0.0020000 k( 245) = ( 0.2941177 -0.0000000 0.3454886), wk = 0.0020000 k( 246) = ( 0.3039216 -0.0000000 0.3454886), wk = 0.0020000 k( 247) = ( 0.3137255 -0.0000000 0.3454886), wk = 0.0020000 k( 248) = ( 0.3235294 -0.0000000 0.3454886), wk = 0.0020000 k( 249) = ( 0.3333333 -0.0000000 0.3454886), wk = 0.0020000 k( 250) = ( 0.3431373 -0.0000000 0.3454886), wk = 0.0020000 k( 251) = ( 0.3529412 -0.0000000 0.3454886), wk = 0.0020000 k( 252) = ( 0.3627451 -0.0000000 0.3454886), wk = 0.0020000 k( 253) = ( 0.3725490 -0.0000000 0.3454886), wk = 0.0020000 k( 254) = ( 0.3823529 -0.0000000 0.3454886), wk = 0.0020000 k( 255) = ( 0.3921569 -0.0000000 0.3454886), wk = 0.0020000 k( 256) = ( 0.4019608 -0.0000000 0.3454886), wk = 0.0020000 k( 257) = ( 0.4117647 -0.0000000 0.3454886), wk = 0.0020000 k( 258) = ( 0.4215686 -0.0000000 0.3454886), wk = 0.0020000 k( 259) = ( 0.4313726 -0.0000000 0.3454886), wk = 0.0020000 k( 260) = ( 0.4411765 -0.0000000 0.3454886), wk = 0.0020000 k( 261) = ( 0.4509804 -0.0000000 0.3454886), wk = 0.0020000 k( 262) = ( 0.4607843 -0.0000000 0.3454886), wk = 0.0020000 k( 263) = ( 0.4705882 -0.0000000 0.3454886), wk = 0.0020000 k( 264) = ( 0.4803922 -0.0000000 0.3454886), wk = 0.0020000 k( 265) = ( 0.4901961 -0.0000000 0.3454886), wk = 0.0020000 k( 266) = ( 0.5000000 -0.0000000 0.3454886), wk = 0.0020000 k( 267) = ( 0.5000000 -0.0000000 0.3454886), wk = 0.0020000 k( 268) = ( 0.5000000 0.0097138 0.3454886), wk = 0.0020000 k( 269) = ( 0.5000000 0.0194275 0.3454886), wk = 0.0020000 k( 270) = ( 0.5000000 0.0291413 0.3454886), wk = 0.0020000 k( 271) = ( 0.5000000 0.0388551 0.3454886), wk = 0.0020000 k( 272) = ( 0.5000000 0.0485688 0.3454886), wk = 0.0020000 k( 273) = ( 0.5000000 0.0582826 0.3454886), wk = 0.0020000 k( 274) = ( 0.5000000 0.0679964 0.3454886), wk = 0.0020000 k( 275) = ( 0.5000000 0.0777101 0.3454886), wk = 0.0020000 k( 276) = ( 0.5000000 0.0874239 0.3454886), wk = 0.0020000 k( 277) = ( 0.5000000 0.0971377 0.3454886), wk = 0.0020000 k( 278) = ( 0.5000000 0.1068514 0.3454886), wk = 0.0020000 k( 279) = ( 0.5000000 0.1165652 0.3454886), wk = 0.0020000 k( 280) = ( 0.5000000 0.1262790 0.3454886), wk = 0.0020000 k( 281) = ( 0.5000000 0.1359927 0.3454886), wk = 0.0020000 k( 282) = ( 0.5000000 0.1457065 0.3454886), wk = 0.0020000 k( 283) = ( 0.5000000 0.1554203 0.3454886), wk = 0.0020000 k( 284) = ( 0.5000000 0.1651340 0.3454886), wk = 0.0020000 k( 285) = ( 0.5000000 0.1748478 0.3454886), wk = 0.0020000 k( 286) = ( 0.5000000 0.1845616 0.3454886), wk = 0.0020000 k( 287) = ( 0.5000000 0.1942753 0.3454886), wk = 0.0020000 k( 288) = ( 0.5000000 0.2039891 0.3454886), wk = 0.0020000 k( 289) = ( 0.5000000 0.2137029 0.3454886), wk = 0.0020000 k( 290) = ( 0.5000000 0.2234166 0.3454886), wk = 0.0020000 k( 291) = ( 0.5000000 0.2331304 0.3454886), wk = 0.0020000 k( 292) = ( 0.5000000 0.2428441 0.3454886), wk = 0.0020000 k( 293) = ( 0.5000000 0.2525579 0.3454886), wk = 0.0020000 k( 294) = ( 0.5000000 0.2622717 0.3454886), wk = 0.0020000 k( 295) = ( 0.5000000 0.2719854 0.3454886), wk = 0.0020000 k( 296) = ( 0.5000000 0.2816992 0.3454886), wk = 0.0020000 k( 297) = ( 0.5000000 0.2914130 0.3454886), wk = 0.0020000 k( 298) = ( 0.5000000 0.3011268 0.3454886), wk = 0.0020000 k( 299) = ( 0.5000000 0.3108405 0.3454886), wk = 0.0020000 k( 300) = ( 0.5000000 0.3205543 0.3454886), wk = 0.0020000 k( 301) = ( 0.5000000 0.3302680 0.3454886), wk = 0.0020000 k( 302) = ( 0.5000000 0.3399818 0.3454886), wk = 0.0020000 k( 303) = ( 0.5000000 0.3496956 0.3454886), wk = 0.0020000 k( 304) = ( 0.5000000 0.3496956 0.3454886), wk = 0.0020000 k( 305) = ( 0.4901961 0.3496956 0.3454886), wk = 0.0020000 k( 306) = ( 0.4803922 0.3496956 0.3454886), wk = 0.0020000 k( 307) = ( 0.4705882 0.3496956 0.3454886), wk = 0.0020000 k( 308) = ( 0.4607843 0.3496956 0.3454886), wk = 0.0020000 k( 309) = ( 0.4509804 0.3496956 0.3454886), wk = 0.0020000 k( 310) = ( 0.4411765 0.3496956 0.3454886), wk = 0.0020000 k( 311) = ( 0.4313726 0.3496956 0.3454886), wk = 0.0020000 k( 312) = ( 0.4215686 0.3496956 0.3454886), wk = 0.0020000 k( 313) = ( 0.4117647 0.3496956 0.3454886), wk = 0.0020000 k( 314) = ( 0.4019608 0.3496956 0.3454886), wk = 0.0020000 k( 315) = ( 0.3921569 0.3496956 0.3454886), wk = 0.0020000 k( 316) = ( 0.3823529 0.3496956 0.3454886), wk = 0.0020000 k( 317) = ( 0.3725490 0.3496956 0.3454886), wk = 0.0020000 k( 318) = ( 0.3627451 0.3496956 0.3454886), wk = 0.0020000 k( 319) = ( 0.3529412 0.3496956 0.3454886), wk = 0.0020000 k( 320) = ( 0.3431373 0.3496956 0.3454886), wk = 0.0020000 k( 321) = ( 0.3333333 0.3496956 0.3454886), wk = 0.0020000 k( 322) = ( 0.3235294 0.3496956 0.3454886), wk = 0.0020000 k( 323) = ( 0.3137255 0.3496956 0.3454886), wk = 0.0020000 k( 324) = ( 0.3039216 0.3496956 0.3454886), wk = 0.0020000 k( 325) = ( 0.2941177 0.3496956 0.3454886), wk = 0.0020000 k( 326) = ( 0.2843137 0.3496956 0.3454886), wk = 0.0020000 k( 327) = ( 0.2745098 0.3496956 0.3454886), wk = 0.0020000 k( 328) = ( 0.2647059 0.3496956 0.3454886), wk = 0.0020000 k( 329) = ( 0.2549020 0.3496956 0.3454886), wk = 0.0020000 k( 330) = ( 0.2450980 0.3496956 0.3454886), wk = 0.0020000 k( 331) = ( 0.2352941 0.3496956 0.3454886), wk = 0.0020000 k( 332) = ( 0.2254902 0.3496956 0.3454886), wk = 0.0020000 k( 333) = ( 0.2156863 0.3496956 0.3454886), wk = 0.0020000 k( 334) = ( 0.2058823 0.3496956 0.3454886), wk = 0.0020000 k( 335) = ( 0.1960784 0.3496956 0.3454886), wk = 0.0020000 k( 336) = ( 0.1862745 0.3496956 0.3454886), wk = 0.0020000 k( 337) = ( 0.1764706 0.3496956 0.3454886), wk = 0.0020000 k( 338) = ( 0.1666667 0.3496956 0.3454886), wk = 0.0020000 k( 339) = ( 0.1568627 0.3496956 0.3454886), wk = 0.0020000 k( 340) = ( 0.1470588 0.3496956 0.3454886), wk = 0.0020000 k( 341) = ( 0.1372549 0.3496956 0.3454886), wk = 0.0020000 k( 342) = ( 0.1274510 0.3496956 0.3454886), wk = 0.0020000 k( 343) = ( 0.1176471 0.3496956 0.3454886), wk = 0.0020000 k( 344) = ( 0.1078431 0.3496956 0.3454886), wk = 0.0020000 k( 345) = ( 0.0980392 0.3496956 0.3454886), wk = 0.0020000 k( 346) = ( 0.0882353 0.3496956 0.3454886), wk = 0.0020000 k( 347) = ( 0.0784314 0.3496956 0.3454886), wk = 0.0020000 k( 348) = ( 0.0686275 0.3496956 0.3454886), wk = 0.0020000 k( 349) = ( 0.0588235 0.3496956 0.3454886), wk = 0.0020000 k( 350) = ( 0.0490196 0.3496956 0.3454886), wk = 0.0020000 k( 351) = ( 0.0392157 0.3496956 0.3454886), wk = 0.0020000 k( 352) = ( 0.0294118 0.3496956 0.3454886), wk = 0.0020000 k( 353) = ( 0.0196078 0.3496956 0.3454886), wk = 0.0020000 k( 354) = ( 0.0098039 0.3496956 0.3454886), wk = 0.0020000 k( 355) = ( 0.0000000 0.3496956 0.3454886), wk = 0.0020000 k( 356) = ( 0.0000000 0.3496956 0.3454886), wk = 0.0020000 k( 357) = ( 0.0000000 0.3399818 0.3454886), wk = 0.0020000 k( 358) = ( 0.0000000 0.3302680 0.3454886), wk = 0.0020000 k( 359) = ( 0.0000000 0.3205543 0.3454886), wk = 0.0020000 k( 360) = ( 0.0000000 0.3108405 0.3454886), wk = 0.0020000 k( 361) = ( 0.0000000 0.3011268 0.3454886), wk = 0.0020000 k( 362) = ( 0.0000000 0.2914130 0.3454886), wk = 0.0020000 k( 363) = ( 0.0000000 0.2816992 0.3454886), wk = 0.0020000 k( 364) = ( 0.0000000 0.2719854 0.3454886), wk = 0.0020000 k( 365) = ( 0.0000000 0.2622717 0.3454886), wk = 0.0020000 k( 366) = ( 0.0000000 0.2525579 0.3454886), wk = 0.0020000 k( 367) = ( 0.0000000 0.2428441 0.3454886), wk = 0.0020000 k( 368) = ( 0.0000000 0.2331304 0.3454886), wk = 0.0020000 k( 369) = ( 0.0000000 0.2234166 0.3454886), wk = 0.0020000 k( 370) = ( 0.0000000 0.2137029 0.3454886), wk = 0.0020000 k( 371) = ( 0.0000000 0.2039891 0.3454886), wk = 0.0020000 k( 372) = ( 0.0000000 0.1942753 0.3454886), wk = 0.0020000 k( 373) = ( 0.0000000 0.1845616 0.3454886), wk = 0.0020000 k( 374) = ( 0.0000000 0.1748478 0.3454886), wk = 0.0020000 k( 375) = ( 0.0000000 0.1651340 0.3454886), wk = 0.0020000 k( 376) = ( 0.0000000 0.1554203 0.3454886), wk = 0.0020000 k( 377) = ( 0.0000000 0.1457065 0.3454886), wk = 0.0020000 k( 378) = ( 0.0000000 0.1359927 0.3454886), wk = 0.0020000 k( 379) = ( 0.0000000 0.1262790 0.3454886), wk = 0.0020000 k( 380) = ( 0.0000000 0.1165652 0.3454886), wk = 0.0020000 k( 381) = ( 0.0000000 0.1068514 0.3454886), wk = 0.0020000 k( 382) = ( 0.0000000 0.0971377 0.3454886), wk = 0.0020000 k( 383) = ( 0.0000000 0.0874239 0.3454886), wk = 0.0020000 k( 384) = ( 0.0000000 0.0777101 0.3454886), wk = 0.0020000 k( 385) = ( 0.0000000 0.0679964 0.3454886), wk = 0.0020000 k( 386) = ( 0.0000000 0.0582826 0.3454886), wk = 0.0020000 k( 387) = ( 0.0000000 0.0485688 0.3454886), wk = 0.0020000 k( 388) = ( 0.0000000 0.0388551 0.3454886), wk = 0.0020000 k( 389) = ( 0.0000000 0.0291413 0.3454886), wk = 0.0020000 k( 390) = ( 0.0000000 0.0194275 0.3454886), wk = 0.0020000 k( 391) = ( 0.0000000 0.0097138 0.3454886), wk = 0.0020000 k( 392) = ( 0.0000000 0.0000000 0.3454886), wk = 0.0020000 k( 393) = ( 0.0000000 0.3496956 -0.0000000), wk = 0.0020000 k( 394) = ( 0.0000000 0.3496956 0.0098711), wk = 0.0020000 k( 395) = ( 0.0000000 0.3496956 0.0197422), wk = 0.0020000 k( 396) = ( 0.0000000 0.3496956 0.0296133), wk = 0.0020000 k( 397) = ( 0.0000000 0.3496956 0.0394844), wk = 0.0020000 k( 398) = ( 0.0000000 0.3496956 0.0493555), wk = 0.0020000 k( 399) = ( 0.0000000 0.3496956 0.0592266), wk = 0.0020000 k( 400) = ( 0.0000000 0.3496956 0.0690977), wk = 0.0020000 k( 401) = ( 0.0000000 0.3496956 0.0789688), wk = 0.0020000 k( 402) = ( 0.0000000 0.3496956 0.0888399), wk = 0.0020000 k( 403) = ( 0.0000000 0.3496956 0.0987110), wk = 0.0020000 k( 404) = ( 0.0000000 0.3496956 0.1085821), wk = 0.0020000 k( 405) = ( 0.0000000 0.3496956 0.1184532), wk = 0.0020000 k( 406) = ( 0.0000000 0.3496956 0.1283243), wk = 0.0020000 k( 407) = ( 0.0000000 0.3496956 0.1381954), wk = 0.0020000 k( 408) = ( 0.0000000 0.3496956 0.1480665), wk = 0.0020000 k( 409) = ( 0.0000000 0.3496956 0.1579376), wk = 0.0020000 k( 410) = ( 0.0000000 0.3496956 0.1678087), wk = 0.0020000 k( 411) = ( 0.0000000 0.3496956 0.1776799), wk = 0.0020000 k( 412) = ( 0.0000000 0.3496956 0.1875510), wk = 0.0020000 k( 413) = ( 0.0000000 0.3496956 0.1974221), wk = 0.0020000 k( 414) = ( 0.0000000 0.3496956 0.2072932), wk = 0.0020000 k( 415) = ( 0.0000000 0.3496956 0.2171643), wk = 0.0020000 k( 416) = ( 0.0000000 0.3496956 0.2270354), wk = 0.0020000 k( 417) = ( 0.0000000 0.3496956 0.2369065), wk = 0.0020000 k( 418) = ( 0.0000000 0.3496956 0.2467776), wk = 0.0020000 k( 419) = ( 0.0000000 0.3496956 0.2566487), wk = 0.0020000 k( 420) = ( 0.0000000 0.3496956 0.2665198), wk = 0.0020000 k( 421) = ( 0.0000000 0.3496956 0.2763909), wk = 0.0020000 k( 422) = ( 0.0000000 0.3496956 0.2862620), wk = 0.0020000 k( 423) = ( 0.0000000 0.3496956 0.2961331), wk = 0.0020000 k( 424) = ( 0.0000000 0.3496956 0.3060042), wk = 0.0020000 k( 425) = ( 0.0000000 0.3496956 0.3158753), wk = 0.0020000 k( 426) = ( 0.0000000 0.3496956 0.3257464), wk = 0.0020000 k( 427) = ( 0.0000000 0.3496956 0.3356175), wk = 0.0020000 k( 428) = ( 0.0000000 0.3496956 0.3454886), wk = 0.0020000 k( 429) = ( 0.5000000 -0.0000000 0.3454886), wk = 0.0020000 k( 430) = ( 0.5000000 -0.0000000 0.3356175), wk = 0.0020000 k( 431) = ( 0.5000000 -0.0000000 0.3257464), wk = 0.0020000 k( 432) = ( 0.5000000 -0.0000000 0.3158753), wk = 0.0020000 k( 433) = ( 0.5000000 -0.0000000 0.3060042), wk = 0.0020000 k( 434) = ( 0.5000000 -0.0000000 0.2961331), wk = 0.0020000 k( 435) = ( 0.5000000 -0.0000000 0.2862620), wk = 0.0020000 k( 436) = ( 0.5000000 -0.0000000 0.2763909), wk = 0.0020000 k( 437) = ( 0.5000000 -0.0000000 0.2665198), wk = 0.0020000 k( 438) = ( 0.5000000 -0.0000000 0.2566487), wk = 0.0020000 k( 439) = ( 0.5000000 -0.0000000 0.2467776), wk = 0.0020000 k( 440) = ( 0.5000000 -0.0000000 0.2369065), wk = 0.0020000 k( 441) = ( 0.5000000 -0.0000000 0.2270354), wk = 0.0020000 k( 442) = ( 0.5000000 -0.0000000 0.2171643), wk = 0.0020000 k( 443) = ( 0.5000000 -0.0000000 0.2072932), wk = 0.0020000 k( 444) = ( 0.5000000 -0.0000000 0.1974221), wk = 0.0020000 k( 445) = ( 0.5000000 -0.0000000 0.1875510), wk = 0.0020000 k( 446) = ( 0.5000000 -0.0000000 0.1776799), wk = 0.0020000 k( 447) = ( 0.5000000 -0.0000000 0.1678087), wk = 0.0020000 k( 448) = ( 0.5000000 -0.0000000 0.1579376), wk = 0.0020000 k( 449) = ( 0.5000000 -0.0000000 0.1480665), wk = 0.0020000 k( 450) = ( 0.5000000 -0.0000000 0.1381954), wk = 0.0020000 k( 451) = ( 0.5000000 -0.0000000 0.1283243), wk = 0.0020000 k( 452) = ( 0.5000000 -0.0000000 0.1184532), wk = 0.0020000 k( 453) = ( 0.5000000 -0.0000000 0.1085821), wk = 0.0020000 k( 454) = ( 0.5000000 -0.0000000 0.0987110), wk = 0.0020000 k( 455) = ( 0.5000000 -0.0000000 0.0888399), wk = 0.0020000 k( 456) = ( 0.5000000 -0.0000000 0.0789688), wk = 0.0020000 k( 457) = ( 0.5000000 -0.0000000 0.0690977), wk = 0.0020000 k( 458) = ( 0.5000000 -0.0000000 0.0592266), wk = 0.0020000 k( 459) = ( 0.5000000 -0.0000000 0.0493555), wk = 0.0020000 k( 460) = ( 0.5000000 -0.0000000 0.0394844), wk = 0.0020000 k( 461) = ( 0.5000000 -0.0000000 0.0296133), wk = 0.0020000 k( 462) = ( 0.5000000 -0.0000000 0.0197422), wk = 0.0020000 k( 463) = ( 0.5000000 -0.0000000 0.0098711), wk = 0.0020000 k( 464) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0020000 k( 465) = ( 0.5000000 0.3496956 -0.0000000), wk = 0.0020000 k( 466) = ( 0.5000000 0.3496956 0.0098711), wk = 0.0020000 k( 467) = ( 0.5000000 0.3496956 0.0197422), wk = 0.0020000 k( 468) = ( 0.5000000 0.3496956 0.0296133), wk = 0.0020000 k( 469) = ( 0.5000000 0.3496956 0.0394844), wk = 0.0020000 k( 470) = ( 0.5000000 0.3496956 0.0493555), wk = 0.0020000 k( 471) = ( 0.5000000 0.3496956 0.0592266), wk = 0.0020000 k( 472) = ( 0.5000000 0.3496956 0.0690977), wk = 0.0020000 k( 473) = ( 0.5000000 0.3496956 0.0789688), wk = 0.0020000 k( 474) = ( 0.5000000 0.3496956 0.0888399), wk = 0.0020000 k( 475) = ( 0.5000000 0.3496956 0.0987110), wk = 0.0020000 k( 476) = ( 0.5000000 0.3496956 0.1085821), wk = 0.0020000 k( 477) = ( 0.5000000 0.3496956 0.1184532), wk = 0.0020000 k( 478) = ( 0.5000000 0.3496956 0.1283243), wk = 0.0020000 k( 479) = ( 0.5000000 0.3496956 0.1381954), wk = 0.0020000 k( 480) = ( 0.5000000 0.3496956 0.1480665), wk = 0.0020000 k( 481) = ( 0.5000000 0.3496956 0.1579376), wk = 0.0020000 k( 482) = ( 0.5000000 0.3496956 0.1678087), wk = 0.0020000 k( 483) = ( 0.5000000 0.3496956 0.1776799), wk = 0.0020000 k( 484) = ( 0.5000000 0.3496956 0.1875510), wk = 0.0020000 k( 485) = ( 0.5000000 0.3496956 0.1974221), wk = 0.0020000 k( 486) = ( 0.5000000 0.3496956 0.2072932), wk = 0.0020000 k( 487) = ( 0.5000000 0.3496956 0.2171643), wk = 0.0020000 k( 488) = ( 0.5000000 0.3496956 0.2270354), wk = 0.0020000 k( 489) = ( 0.5000000 0.3496956 0.2369065), wk = 0.0020000 k( 490) = ( 0.5000000 0.3496956 0.2467776), wk = 0.0020000 k( 491) = ( 0.5000000 0.3496956 0.2566487), wk = 0.0020000 k( 492) = ( 0.5000000 0.3496956 0.2665198), wk = 0.0020000 k( 493) = ( 0.5000000 0.3496956 0.2763909), wk = 0.0020000 k( 494) = ( 0.5000000 0.3496956 0.2862620), wk = 0.0020000 k( 495) = ( 0.5000000 0.3496956 0.2961331), wk = 0.0020000 k( 496) = ( 0.5000000 0.3496956 0.3060042), wk = 0.0020000 k( 497) = ( 0.5000000 0.3496956 0.3158753), wk = 0.0020000 k( 498) = ( 0.5000000 0.3496956 0.3257464), wk = 0.0020000 k( 499) = ( 0.5000000 0.3496956 0.3356175), wk = 0.0020000 k( 500) = ( 0.5000000 0.3496956 0.3454886), wk = 0.0020000 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020000 k( 2) = ( 0.0098039 0.0000000 0.0000000), wk = 0.0020000 k( 3) = ( 0.0196078 0.0000000 0.0000000), wk = 0.0020000 k( 4) = ( 0.0294118 0.0000000 -0.0000000), wk = 0.0020000 k( 5) = ( 0.0392157 0.0000000 0.0000000), wk = 0.0020000 k( 6) = ( 0.0490196 0.0000000 0.0000000), wk = 0.0020000 k( 7) = ( 0.0588235 0.0000000 0.0000000), wk = 0.0020000 k( 8) = ( 0.0686275 0.0000000 0.0000000), wk = 0.0020000 k( 9) = ( 0.0784314 0.0000000 0.0000000), wk = 0.0020000 k( 10) = ( 0.0882353 0.0000000 0.0000000), wk = 0.0020000 k( 11) = ( 0.0980392 0.0000000 0.0000000), wk = 0.0020000 k( 12) = ( 0.1078431 0.0000000 0.0000000), wk = 0.0020000 k( 13) = ( 0.1176471 0.0000000 0.0000000), wk = 0.0020000 k( 14) = ( 0.1274510 0.0000000 -0.0000000), wk = 0.0020000 k( 15) = ( 0.1372549 0.0000000 0.0000000), wk = 0.0020000 k( 16) = ( 0.1470588 0.0000000 0.0000000), wk = 0.0020000 k( 17) = ( 0.1568627 0.0000000 0.0000000), wk = 0.0020000 k( 18) = ( 0.1666667 0.0000000 -0.0000000), wk = 0.0020000 k( 19) = ( 0.1764706 0.0000000 -0.0000000), wk = 0.0020000 k( 20) = ( 0.1862745 0.0000000 -0.0000000), wk = 0.0020000 k( 21) = ( 0.1960784 0.0000000 0.0000000), wk = 0.0020000 k( 22) = ( 0.2058823 0.0000000 0.0000000), wk = 0.0020000 k( 23) = ( 0.2156863 0.0000000 -0.0000000), wk = 0.0020000 k( 24) = ( 0.2254902 0.0000000 0.0000000), wk = 0.0020000 k( 25) = ( 0.2352941 0.0000000 0.0000000), wk = 0.0020000 k( 26) = ( 0.2450980 0.0000000 -0.0000000), wk = 0.0020000 k( 27) = ( 0.2549020 0.0000000 -0.0000000), wk = 0.0020000 k( 28) = ( 0.2647059 -0.0000000 -0.0000000), wk = 0.0020000 k( 29) = ( 0.2745098 0.0000000 0.0000000), wk = 0.0020000 k( 30) = ( 0.2843137 0.0000000 -0.0000000), wk = 0.0020000 k( 31) = ( 0.2941177 0.0000000 -0.0000000), wk = 0.0020000 k( 32) = ( 0.3039216 0.0000000 -0.0000000), wk = 0.0020000 k( 33) = ( 0.3137255 0.0000000 0.0000000), wk = 0.0020000 k( 34) = ( 0.3235294 0.0000000 -0.0000000), wk = 0.0020000 k( 35) = ( 0.3333333 0.0000000 -0.0000000), wk = 0.0020000 k( 36) = ( 0.3431373 0.0000000 -0.0000000), wk = 0.0020000 k( 37) = ( 0.3529412 0.0000000 -0.0000000), wk = 0.0020000 k( 38) = ( 0.3627451 0.0000000 0.0000000), wk = 0.0020000 k( 39) = ( 0.3725490 0.0000000 -0.0000000), wk = 0.0020000 k( 40) = ( 0.3823529 0.0000000 0.0000000), wk = 0.0020000 k( 41) = ( 0.3921569 0.0000000 0.0000000), wk = 0.0020000 k( 42) = ( 0.4019608 0.0000000 0.0000000), wk = 0.0020000 k( 43) = ( 0.4117647 -0.0000000 0.0000000), wk = 0.0020000 k( 44) = ( 0.4215686 0.0000000 0.0000000), wk = 0.0020000 k( 45) = ( 0.4313726 0.0000000 -0.0000000), wk = 0.0020000 k( 46) = ( 0.4411765 0.0000000 -0.0000000), wk = 0.0020000 k( 47) = ( 0.4509804 0.0000000 -0.0000000), wk = 0.0020000 k( 48) = ( 0.4607843 0.0000000 0.0000000), wk = 0.0020000 k( 49) = ( 0.4705882 0.0000000 0.0000000), wk = 0.0020000 k( 50) = ( 0.4803922 0.0000000 -0.0000000), wk = 0.0020000 k( 51) = ( 0.4901961 0.0000000 -0.0000000), wk = 0.0020000 k( 52) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0020000 k( 53) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0020000 k( 54) = ( 0.5000000 0.0138889 0.0000000), wk = 0.0020000 k( 55) = ( 0.5000000 0.0277778 0.0000000), wk = 0.0020000 k( 56) = ( 0.5000000 0.0416667 0.0000000), wk = 0.0020000 k( 57) = ( 0.5000000 0.0555556 -0.0000000), wk = 0.0020000 k( 58) = ( 0.5000000 0.0694444 0.0000000), wk = 0.0020000 k( 59) = ( 0.5000000 0.0833333 0.0000000), wk = 0.0020000 k( 60) = ( 0.5000000 0.0972222 -0.0000000), wk = 0.0020000 k( 61) = ( 0.5000000 0.1111111 -0.0000000), wk = 0.0020000 k( 62) = ( 0.5000000 0.1250000 0.0000000), wk = 0.0020000 k( 63) = ( 0.5000000 0.1388889 0.0000000), wk = 0.0020000 k( 64) = ( 0.5000000 0.1527778 -0.0000000), wk = 0.0020000 k( 65) = ( 0.5000000 0.1666667 -0.0000000), wk = 0.0020000 k( 66) = ( 0.5000000 0.1805556 0.0000000), wk = 0.0020000 k( 67) = ( 0.5000000 0.1944444 -0.0000000), wk = 0.0020000 k( 68) = ( 0.5000000 0.2083333 -0.0000000), wk = 0.0020000 k( 69) = ( 0.5000000 0.2222222 0.0000000), wk = 0.0020000 k( 70) = ( 0.5000000 0.2361111 0.0000000), wk = 0.0020000 k( 71) = ( 0.5000000 0.2500000 -0.0000000), wk = 0.0020000 k( 72) = ( 0.5000000 0.2638889 0.0000000), wk = 0.0020000 k( 73) = ( 0.5000000 0.2777778 0.0000000), wk = 0.0020000 k( 74) = ( 0.5000000 0.2916667 0.0000000), wk = 0.0020000 k( 75) = ( 0.5000000 0.3055556 0.0000000), wk = 0.0020000 k( 76) = ( 0.5000000 0.3194444 -0.0000000), wk = 0.0020000 k( 77) = ( 0.5000000 0.3333333 -0.0000000), wk = 0.0020000 k( 78) = ( 0.5000000 0.3472222 -0.0000000), wk = 0.0020000 k( 79) = ( 0.5000000 0.3611111 -0.0000000), wk = 0.0020000 k( 80) = ( 0.5000000 0.3750000 0.0000000), wk = 0.0020000 k( 81) = ( 0.5000000 0.3888889 0.0000000), wk = 0.0020000 k( 82) = ( 0.5000000 0.4027778 0.0000000), wk = 0.0020000 k( 83) = ( 0.5000000 0.4166667 0.0000000), wk = 0.0020000 k( 84) = ( 0.5000000 0.4305556 -0.0000000), wk = 0.0020000 k( 85) = ( 0.5000000 0.4444444 0.0000000), wk = 0.0020000 k( 86) = ( 0.5000000 0.4583333 0.0000000), wk = 0.0020000 k( 87) = ( 0.5000000 0.4722222 0.0000000), wk = 0.0020000 k( 88) = ( 0.5000000 0.4861111 0.0000000), wk = 0.0020000 k( 89) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020000 k( 90) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020000 k( 91) = ( 0.4901961 0.5000000 -0.0000000), wk = 0.0020000 k( 92) = ( 0.4803922 0.5000000 -0.0000000), wk = 0.0020000 k( 93) = ( 0.4705882 0.5000000 0.0000000), wk = 0.0020000 k( 94) = ( 0.4607843 0.5000000 0.0000000), wk = 0.0020000 k( 95) = ( 0.4509804 0.5000000 -0.0000000), wk = 0.0020000 k( 96) = ( 0.4411765 0.5000000 0.0000000), wk = 0.0020000 k( 97) = ( 0.4313726 0.5000000 -0.0000000), wk = 0.0020000 k( 98) = ( 0.4215686 0.5000000 0.0000000), wk = 0.0020000 k( 99) = ( 0.4117647 0.5000000 -0.0000000), wk = 0.0020000 k( 100) = ( 0.4019608 0.5000000 0.0000000), wk = 0.0020000 k( 101) = ( 0.3921569 0.5000000 -0.0000000), wk = 0.0020000 k( 102) = ( 0.3823529 0.5000000 0.0000000), wk = 0.0020000 k( 103) = ( 0.3725490 0.5000000 -0.0000000), wk = 0.0020000 k( 104) = ( 0.3627451 0.5000000 -0.0000000), wk = 0.0020000 k( 105) = ( 0.3529412 0.5000000 0.0000000), wk = 0.0020000 k( 106) = ( 0.3431373 0.5000000 -0.0000000), wk = 0.0020000 k( 107) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0020000 k( 108) = ( 0.3235294 0.5000000 -0.0000000), wk = 0.0020000 k( 109) = ( 0.3137255 0.5000000 -0.0000000), wk = 0.0020000 k( 110) = ( 0.3039216 0.5000000 -0.0000000), wk = 0.0020000 k( 111) = ( 0.2941177 0.5000000 0.0000000), wk = 0.0020000 k( 112) = ( 0.2843137 0.5000000 -0.0000000), wk = 0.0020000 k( 113) = ( 0.2745098 0.5000000 0.0000000), wk = 0.0020000 k( 114) = ( 0.2647059 0.5000000 0.0000000), wk = 0.0020000 k( 115) = ( 0.2549020 0.5000000 0.0000000), wk = 0.0020000 k( 116) = ( 0.2450980 0.5000000 0.0000000), wk = 0.0020000 k( 117) = ( 0.2352941 0.5000000 0.0000000), wk = 0.0020000 k( 118) = ( 0.2254902 0.5000000 0.0000000), wk = 0.0020000 k( 119) = ( 0.2156863 0.5000000 0.0000000), wk = 0.0020000 k( 120) = ( 0.2058823 0.5000000 0.0000000), wk = 0.0020000 k( 121) = ( 0.1960784 0.5000000 0.0000000), wk = 0.0020000 k( 122) = ( 0.1862745 0.5000000 -0.0000000), wk = 0.0020000 k( 123) = ( 0.1764706 0.5000000 0.0000000), wk = 0.0020000 k( 124) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0020000 k( 125) = ( 0.1568627 0.5000000 0.0000000), wk = 0.0020000 k( 126) = ( 0.1470588 0.5000000 0.0000000), wk = 0.0020000 k( 127) = ( 0.1372549 0.5000000 -0.0000000), wk = 0.0020000 k( 128) = ( 0.1274510 0.5000000 0.0000000), wk = 0.0020000 k( 129) = ( 0.1176471 0.5000000 0.0000000), wk = 0.0020000 k( 130) = ( 0.1078431 0.5000000 0.0000000), wk = 0.0020000 k( 131) = ( 0.0980392 0.5000000 -0.0000000), wk = 0.0020000 k( 132) = ( 0.0882353 0.5000000 0.0000000), wk = 0.0020000 k( 133) = ( 0.0784314 0.5000000 0.0000000), wk = 0.0020000 k( 134) = ( 0.0686275 0.5000000 0.0000000), wk = 0.0020000 k( 135) = ( 0.0588235 0.5000000 0.0000000), wk = 0.0020000 k( 136) = ( 0.0490196 0.5000000 0.0000000), wk = 0.0020000 k( 137) = ( 0.0392157 0.5000000 0.0000000), wk = 0.0020000 k( 138) = ( 0.0294118 0.5000000 0.0000000), wk = 0.0020000 k( 139) = ( 0.0196078 0.5000000 0.0000000), wk = 0.0020000 k( 140) = ( 0.0098039 0.5000000 0.0000000), wk = 0.0020000 k( 141) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020000 k( 142) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020000 k( 143) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0020000 k( 144) = ( 0.0000000 0.4722222 0.0000000), wk = 0.0020000 k( 145) = ( 0.0000000 0.4583333 0.0000000), wk = 0.0020000 k( 146) = ( 0.0000000 0.4444444 0.0000000), wk = 0.0020000 k( 147) = ( 0.0000000 0.4305556 0.0000000), wk = 0.0020000 k( 148) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0020000 k( 149) = ( 0.0000000 0.4027778 -0.0000000), wk = 0.0020000 k( 150) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0020000 k( 151) = ( 0.0000000 0.3750000 0.0000000), wk = 0.0020000 k( 152) = ( 0.0000000 0.3611111 0.0000000), wk = 0.0020000 k( 153) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0020000 k( 154) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0020000 k( 155) = ( 0.0000000 0.3194444 0.0000000), wk = 0.0020000 k( 156) = ( 0.0000000 0.3055556 0.0000000), wk = 0.0020000 k( 157) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0020000 k( 158) = ( 0.0000000 0.2777778 0.0000000), wk = 0.0020000 k( 159) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0020000 k( 160) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0020000 k( 161) = ( 0.0000000 0.2361111 0.0000000), wk = 0.0020000 k( 162) = ( 0.0000000 0.2222222 0.0000000), wk = 0.0020000 k( 163) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0020000 k( 164) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0020000 k( 165) = ( 0.0000000 0.1805556 0.0000000), wk = 0.0020000 k( 166) = ( 0.0000000 0.1666667 0.0000000), wk = 0.0020000 k( 167) = ( 0.0000000 0.1527778 0.0000000), wk = 0.0020000 k( 168) = ( 0.0000000 0.1388889 0.0000000), wk = 0.0020000 k( 169) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0020000 k( 170) = ( 0.0000000 0.1111111 0.0000000), wk = 0.0020000 k( 171) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0020000 k( 172) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0020000 k( 173) = ( 0.0000000 0.0694444 0.0000000), wk = 0.0020000 k( 174) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0020000 k( 175) = ( 0.0000000 0.0416667 0.0000000), wk = 0.0020000 k( 176) = ( 0.0000000 0.0277778 0.0000000), wk = 0.0020000 k( 177) = ( 0.0000000 0.0138889 0.0000000), wk = 0.0020000 k( 178) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020000 k( 179) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0020000 k( 180) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0020000 k( 181) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0020000 k( 182) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0020000 k( 183) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0020000 k( 184) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0020000 k( 185) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0020000 k( 186) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0020000 k( 187) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0020000 k( 188) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0020000 k( 189) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0020000 k( 190) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0020000 k( 191) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0020000 k( 192) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0020000 k( 193) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0020000 k( 194) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0020000 k( 195) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0020000 k( 196) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0020000 k( 197) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0020000 k( 198) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0020000 k( 199) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0020000 k( 200) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0020000 k( 201) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0020000 k( 202) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0020000 k( 203) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0020000 k( 204) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0020000 k( 205) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0020000 k( 206) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0020000 k( 207) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0020000 k( 208) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0020000 k( 209) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0020000 k( 210) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0020000 k( 211) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0020000 k( 212) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0020000 k( 213) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0020000 k( 214) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020000 k( 215) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020000 k( 216) = ( 0.0098039 0.0000000 0.5000000), wk = 0.0020000 k( 217) = ( 0.0196078 0.0000000 0.5000000), wk = 0.0020000 k( 218) = ( 0.0294118 0.0000000 0.5000000), wk = 0.0020000 k( 219) = ( 0.0392157 0.0000000 0.5000000), wk = 0.0020000 k( 220) = ( 0.0490196 0.0000000 0.5000000), wk = 0.0020000 k( 221) = ( 0.0588235 0.0000000 0.5000000), wk = 0.0020000 k( 222) = ( 0.0686275 0.0000000 0.5000000), wk = 0.0020000 k( 223) = ( 0.0784314 0.0000000 0.5000000), wk = 0.0020000 k( 224) = ( 0.0882353 0.0000000 0.5000000), wk = 0.0020000 k( 225) = ( 0.0980392 0.0000000 0.5000000), wk = 0.0020000 k( 226) = ( 0.1078431 0.0000000 0.5000000), wk = 0.0020000 k( 227) = ( 0.1176471 0.0000000 0.5000000), wk = 0.0020000 k( 228) = ( 0.1274510 0.0000000 0.5000000), wk = 0.0020000 k( 229) = ( 0.1372549 0.0000000 0.5000000), wk = 0.0020000 k( 230) = ( 0.1470588 0.0000000 0.5000000), wk = 0.0020000 k( 231) = ( 0.1568627 0.0000000 0.5000000), wk = 0.0020000 k( 232) = ( 0.1666667 0.0000000 0.5000000), wk = 0.0020000 k( 233) = ( 0.1764706 0.0000000 0.5000000), wk = 0.0020000 k( 234) = ( 0.1862745 0.0000000 0.5000000), wk = 0.0020000 k( 235) = ( 0.1960784 0.0000000 0.5000000), wk = 0.0020000 k( 236) = ( 0.2058823 0.0000000 0.5000000), wk = 0.0020000 k( 237) = ( 0.2156863 0.0000000 0.5000000), wk = 0.0020000 k( 238) = ( 0.2254902 0.0000000 0.5000000), wk = 0.0020000 k( 239) = ( 0.2352941 0.0000000 0.5000000), wk = 0.0020000 k( 240) = ( 0.2450980 0.0000000 0.5000000), wk = 0.0020000 k( 241) = ( 0.2549020 0.0000000 0.5000000), wk = 0.0020000 k( 242) = ( 0.2647059 -0.0000000 0.5000000), wk = 0.0020000 k( 243) = ( 0.2745098 0.0000000 0.5000000), wk = 0.0020000 k( 244) = ( 0.2843137 0.0000000 0.5000000), wk = 0.0020000 k( 245) = ( 0.2941177 0.0000000 0.5000000), wk = 0.0020000 k( 246) = ( 0.3039216 0.0000000 0.5000000), wk = 0.0020000 k( 247) = ( 0.3137255 0.0000000 0.5000000), wk = 0.0020000 k( 248) = ( 0.3235294 0.0000000 0.5000000), wk = 0.0020000 k( 249) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0020000 k( 250) = ( 0.3431373 0.0000000 0.5000000), wk = 0.0020000 k( 251) = ( 0.3529412 0.0000000 0.5000000), wk = 0.0020000 k( 252) = ( 0.3627451 0.0000000 0.5000000), wk = 0.0020000 k( 253) = ( 0.3725490 0.0000000 0.5000000), wk = 0.0020000 k( 254) = ( 0.3823529 0.0000000 0.5000000), wk = 0.0020000 k( 255) = ( 0.3921569 0.0000000 0.5000000), wk = 0.0020000 k( 256) = ( 0.4019608 0.0000000 0.5000000), wk = 0.0020000 k( 257) = ( 0.4117647 -0.0000000 0.5000000), wk = 0.0020000 k( 258) = ( 0.4215686 0.0000000 0.5000000), wk = 0.0020000 k( 259) = ( 0.4313726 0.0000000 0.5000000), wk = 0.0020000 k( 260) = ( 0.4411765 0.0000000 0.5000000), wk = 0.0020000 k( 261) = ( 0.4509804 0.0000000 0.5000000), wk = 0.0020000 k( 262) = ( 0.4607843 0.0000000 0.5000000), wk = 0.0020000 k( 263) = ( 0.4705882 0.0000000 0.5000000), wk = 0.0020000 k( 264) = ( 0.4803922 0.0000000 0.5000000), wk = 0.0020000 k( 265) = ( 0.4901961 0.0000000 0.5000000), wk = 0.0020000 k( 266) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020000 k( 267) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020000 k( 268) = ( 0.5000000 0.0138889 0.5000000), wk = 0.0020000 k( 269) = ( 0.5000000 0.0277778 0.5000000), wk = 0.0020000 k( 270) = ( 0.5000000 0.0416667 0.5000000), wk = 0.0020000 k( 271) = ( 0.5000000 0.0555556 0.5000000), wk = 0.0020000 k( 272) = ( 0.5000000 0.0694444 0.5000000), wk = 0.0020000 k( 273) = ( 0.5000000 0.0833333 0.5000000), wk = 0.0020000 k( 274) = ( 0.5000000 0.0972222 0.5000000), wk = 0.0020000 k( 275) = ( 0.5000000 0.1111111 0.5000000), wk = 0.0020000 k( 276) = ( 0.5000000 0.1250000 0.5000000), wk = 0.0020000 k( 277) = ( 0.5000000 0.1388889 0.5000000), wk = 0.0020000 k( 278) = ( 0.5000000 0.1527778 0.5000000), wk = 0.0020000 k( 279) = ( 0.5000000 0.1666667 0.5000000), wk = 0.0020000 k( 280) = ( 0.5000000 0.1805556 0.5000000), wk = 0.0020000 k( 281) = ( 0.5000000 0.1944444 0.5000000), wk = 0.0020000 k( 282) = ( 0.5000000 0.2083333 0.5000000), wk = 0.0020000 k( 283) = ( 0.5000000 0.2222222 0.5000000), wk = 0.0020000 k( 284) = ( 0.5000000 0.2361111 0.5000000), wk = 0.0020000 k( 285) = ( 0.5000000 0.2500000 0.5000000), wk = 0.0020000 k( 286) = ( 0.5000000 0.2638889 0.5000000), wk = 0.0020000 k( 287) = ( 0.5000000 0.2777778 0.5000000), wk = 0.0020000 k( 288) = ( 0.5000000 0.2916667 0.5000000), wk = 0.0020000 k( 289) = ( 0.5000000 0.3055556 0.5000000), wk = 0.0020000 k( 290) = ( 0.5000000 0.3194444 0.5000000), wk = 0.0020000 k( 291) = ( 0.5000000 0.3333333 0.5000000), wk = 0.0020000 k( 292) = ( 0.5000000 0.3472222 0.5000000), wk = 0.0020000 k( 293) = ( 0.5000000 0.3611111 0.5000000), wk = 0.0020000 k( 294) = ( 0.5000000 0.3750000 0.5000000), wk = 0.0020000 k( 295) = ( 0.5000000 0.3888889 0.5000000), wk = 0.0020000 k( 296) = ( 0.5000000 0.4027778 0.5000000), wk = 0.0020000 k( 297) = ( 0.5000000 0.4166667 0.5000000), wk = 0.0020000 k( 298) = ( 0.5000000 0.4305556 0.5000000), wk = 0.0020000 k( 299) = ( 0.5000000 0.4444444 0.5000000), wk = 0.0020000 k( 300) = ( 0.5000000 0.4583333 0.5000000), wk = 0.0020000 k( 301) = ( 0.5000000 0.4722222 0.5000000), wk = 0.0020000 k( 302) = ( 0.5000000 0.4861111 0.5000000), wk = 0.0020000 k( 303) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020000 k( 304) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020000 k( 305) = ( 0.4901961 0.5000000 0.5000000), wk = 0.0020000 k( 306) = ( 0.4803922 0.5000000 0.5000000), wk = 0.0020000 k( 307) = ( 0.4705882 0.5000000 0.5000000), wk = 0.0020000 k( 308) = ( 0.4607843 0.5000000 0.5000000), wk = 0.0020000 k( 309) = ( 0.4509804 0.5000000 0.5000000), wk = 0.0020000 k( 310) = ( 0.4411765 0.5000000 0.5000000), wk = 0.0020000 k( 311) = ( 0.4313726 0.5000000 0.5000000), wk = 0.0020000 k( 312) = ( 0.4215686 0.5000000 0.5000000), wk = 0.0020000 k( 313) = ( 0.4117647 0.5000000 0.5000000), wk = 0.0020000 k( 314) = ( 0.4019608 0.5000000 0.5000000), wk = 0.0020000 k( 315) = ( 0.3921569 0.5000000 0.5000000), wk = 0.0020000 k( 316) = ( 0.3823529 0.5000000 0.5000000), wk = 0.0020000 k( 317) = ( 0.3725490 0.5000000 0.5000000), wk = 0.0020000 k( 318) = ( 0.3627451 0.5000000 0.5000000), wk = 0.0020000 k( 319) = ( 0.3529412 0.5000000 0.5000000), wk = 0.0020000 k( 320) = ( 0.3431373 0.5000000 0.5000000), wk = 0.0020000 k( 321) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0020000 k( 322) = ( 0.3235294 0.5000000 0.5000000), wk = 0.0020000 k( 323) = ( 0.3137255 0.5000000 0.5000000), wk = 0.0020000 k( 324) = ( 0.3039216 0.5000000 0.5000000), wk = 0.0020000 k( 325) = ( 0.2941177 0.5000000 0.5000000), wk = 0.0020000 k( 326) = ( 0.2843137 0.5000000 0.5000000), wk = 0.0020000 k( 327) = ( 0.2745098 0.5000000 0.5000000), wk = 0.0020000 k( 328) = ( 0.2647059 0.5000000 0.5000000), wk = 0.0020000 k( 329) = ( 0.2549020 0.5000000 0.5000000), wk = 0.0020000 k( 330) = ( 0.2450980 0.5000000 0.5000000), wk = 0.0020000 k( 331) = ( 0.2352941 0.5000000 0.5000000), wk = 0.0020000 k( 332) = ( 0.2254902 0.5000000 0.5000000), wk = 0.0020000 k( 333) = ( 0.2156863 0.5000000 0.5000000), wk = 0.0020000 k( 334) = ( 0.2058823 0.5000000 0.5000000), wk = 0.0020000 k( 335) = ( 0.1960784 0.5000000 0.5000000), wk = 0.0020000 k( 336) = ( 0.1862745 0.5000000 0.5000000), wk = 0.0020000 k( 337) = ( 0.1764706 0.5000000 0.5000000), wk = 0.0020000 k( 338) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0020000 k( 339) = ( 0.1568627 0.5000000 0.5000000), wk = 0.0020000 k( 340) = ( 0.1470588 0.5000000 0.5000000), wk = 0.0020000 k( 341) = ( 0.1372549 0.5000000 0.5000000), wk = 0.0020000 k( 342) = ( 0.1274510 0.5000000 0.5000000), wk = 0.0020000 k( 343) = ( 0.1176471 0.5000000 0.5000000), wk = 0.0020000 k( 344) = ( 0.1078431 0.5000000 0.5000000), wk = 0.0020000 k( 345) = ( 0.0980392 0.5000000 0.5000000), wk = 0.0020000 k( 346) = ( 0.0882353 0.5000000 0.5000000), wk = 0.0020000 k( 347) = ( 0.0784314 0.5000000 0.5000000), wk = 0.0020000 k( 348) = ( 0.0686275 0.5000000 0.5000000), wk = 0.0020000 k( 349) = ( 0.0588235 0.5000000 0.5000000), wk = 0.0020000 k( 350) = ( 0.0490196 0.5000000 0.5000000), wk = 0.0020000 k( 351) = ( 0.0392157 0.5000000 0.5000000), wk = 0.0020000 k( 352) = ( 0.0294118 0.5000000 0.5000000), wk = 0.0020000 k( 353) = ( 0.0196078 0.5000000 0.5000000), wk = 0.0020000 k( 354) = ( 0.0098039 0.5000000 0.5000000), wk = 0.0020000 k( 355) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020000 k( 356) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020000 k( 357) = ( 0.0000000 0.4861111 0.5000000), wk = 0.0020000 k( 358) = ( 0.0000000 0.4722222 0.5000000), wk = 0.0020000 k( 359) = ( 0.0000000 0.4583333 0.5000000), wk = 0.0020000 k( 360) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0020000 k( 361) = ( 0.0000000 0.4305556 0.5000000), wk = 0.0020000 k( 362) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0020000 k( 363) = ( 0.0000000 0.4027778 0.5000000), wk = 0.0020000 k( 364) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0020000 k( 365) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0020000 k( 366) = ( 0.0000000 0.3611111 0.5000000), wk = 0.0020000 k( 367) = ( 0.0000000 0.3472222 0.5000000), wk = 0.0020000 k( 368) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0020000 k( 369) = ( 0.0000000 0.3194444 0.5000000), wk = 0.0020000 k( 370) = ( 0.0000000 0.3055556 0.5000000), wk = 0.0020000 k( 371) = ( 0.0000000 0.2916667 0.5000000), wk = 0.0020000 k( 372) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0020000 k( 373) = ( 0.0000000 0.2638889 0.5000000), wk = 0.0020000 k( 374) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0020000 k( 375) = ( 0.0000000 0.2361111 0.5000000), wk = 0.0020000 k( 376) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0020000 k( 377) = ( 0.0000000 0.2083333 0.5000000), wk = 0.0020000 k( 378) = ( 0.0000000 0.1944444 0.5000000), wk = 0.0020000 k( 379) = ( 0.0000000 0.1805556 0.5000000), wk = 0.0020000 k( 380) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0020000 k( 381) = ( 0.0000000 0.1527778 0.5000000), wk = 0.0020000 k( 382) = ( 0.0000000 0.1388889 0.5000000), wk = 0.0020000 k( 383) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0020000 k( 384) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0020000 k( 385) = ( 0.0000000 0.0972222 0.5000000), wk = 0.0020000 k( 386) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0020000 k( 387) = ( 0.0000000 0.0694444 0.5000000), wk = 0.0020000 k( 388) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0020000 k( 389) = ( 0.0000000 0.0416667 0.5000000), wk = 0.0020000 k( 390) = ( 0.0000000 0.0277778 0.5000000), wk = 0.0020000 k( 391) = ( 0.0000000 0.0138889 0.5000000), wk = 0.0020000 k( 392) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0020000 k( 393) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0020000 k( 394) = ( 0.0000000 0.5000000 0.0142857), wk = 0.0020000 k( 395) = ( 0.0000000 0.5000000 0.0285714), wk = 0.0020000 k( 396) = ( 0.0000000 0.5000000 0.0428571), wk = 0.0020000 k( 397) = ( 0.0000000 0.5000000 0.0571429), wk = 0.0020000 k( 398) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0020000 k( 399) = ( 0.0000000 0.5000000 0.0857143), wk = 0.0020000 k( 400) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0020000 k( 401) = ( 0.0000000 0.5000000 0.1142857), wk = 0.0020000 k( 402) = ( 0.0000000 0.5000000 0.1285714), wk = 0.0020000 k( 403) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0020000 k( 404) = ( 0.0000000 0.5000000 0.1571429), wk = 0.0020000 k( 405) = ( 0.0000000 0.5000000 0.1714286), wk = 0.0020000 k( 406) = ( 0.0000000 0.5000000 0.1857143), wk = 0.0020000 k( 407) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0020000 k( 408) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0020000 k( 409) = ( 0.0000000 0.5000000 0.2285714), wk = 0.0020000 k( 410) = ( 0.0000000 0.5000000 0.2428571), wk = 0.0020000 k( 411) = ( 0.0000000 0.5000000 0.2571429), wk = 0.0020000 k( 412) = ( 0.0000000 0.5000000 0.2714286), wk = 0.0020000 k( 413) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0020000 k( 414) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0020000 k( 415) = ( 0.0000000 0.5000000 0.3142857), wk = 0.0020000 k( 416) = ( 0.0000000 0.5000000 0.3285714), wk = 0.0020000 k( 417) = ( 0.0000000 0.5000000 0.3428571), wk = 0.0020000 k( 418) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0020000 k( 419) = ( 0.0000000 0.5000000 0.3714286), wk = 0.0020000 k( 420) = ( 0.0000000 0.5000000 0.3857143), wk = 0.0020000 k( 421) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0020000 k( 422) = ( 0.0000000 0.5000000 0.4142857), wk = 0.0020000 k( 423) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0020000 k( 424) = ( 0.0000000 0.5000000 0.4428571), wk = 0.0020000 k( 425) = ( 0.0000000 0.5000000 0.4571429), wk = 0.0020000 k( 426) = ( 0.0000000 0.5000000 0.4714286), wk = 0.0020000 k( 427) = ( 0.0000000 0.5000000 0.4857143), wk = 0.0020000 k( 428) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0020000 k( 429) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0020000 k( 430) = ( 0.5000000 0.0000000 0.4857143), wk = 0.0020000 k( 431) = ( 0.5000000 0.0000000 0.4714286), wk = 0.0020000 k( 432) = ( 0.5000000 0.0000000 0.4571429), wk = 0.0020000 k( 433) = ( 0.5000000 0.0000000 0.4428571), wk = 0.0020000 k( 434) = ( 0.5000000 0.0000000 0.4285714), wk = 0.0020000 k( 435) = ( 0.5000000 0.0000000 0.4142857), wk = 0.0020000 k( 436) = ( 0.5000000 0.0000000 0.4000000), wk = 0.0020000 k( 437) = ( 0.5000000 0.0000000 0.3857143), wk = 0.0020000 k( 438) = ( 0.5000000 0.0000000 0.3714286), wk = 0.0020000 k( 439) = ( 0.5000000 0.0000000 0.3571429), wk = 0.0020000 k( 440) = ( 0.5000000 0.0000000 0.3428571), wk = 0.0020000 k( 441) = ( 0.5000000 0.0000000 0.3285714), wk = 0.0020000 k( 442) = ( 0.5000000 0.0000000 0.3142857), wk = 0.0020000 k( 443) = ( 0.5000000 0.0000000 0.3000000), wk = 0.0020000 k( 444) = ( 0.5000000 0.0000000 0.2857143), wk = 0.0020000 k( 445) = ( 0.5000000 0.0000000 0.2714286), wk = 0.0020000 k( 446) = ( 0.5000000 0.0000000 0.2571429), wk = 0.0020000 k( 447) = ( 0.5000000 0.0000000 0.2428571), wk = 0.0020000 k( 448) = ( 0.5000000 0.0000000 0.2285714), wk = 0.0020000 k( 449) = ( 0.5000000 0.0000000 0.2142857), wk = 0.0020000 k( 450) = ( 0.5000000 0.0000000 0.2000000), wk = 0.0020000 k( 451) = ( 0.5000000 0.0000000 0.1857143), wk = 0.0020000 k( 452) = ( 0.5000000 0.0000000 0.1714286), wk = 0.0020000 k( 453) = ( 0.5000000 0.0000000 0.1571429), wk = 0.0020000 k( 454) = ( 0.5000000 0.0000000 0.1428571), wk = 0.0020000 k( 455) = ( 0.5000000 0.0000000 0.1285714), wk = 0.0020000 k( 456) = ( 0.5000000 0.0000000 0.1142857), wk = 0.0020000 k( 457) = ( 0.5000000 0.0000000 0.1000000), wk = 0.0020000 k( 458) = ( 0.5000000 0.0000000 0.0857143), wk = 0.0020000 k( 459) = ( 0.5000000 0.0000000 0.0714286), wk = 0.0020000 k( 460) = ( 0.5000000 0.0000000 0.0571429), wk = 0.0020000 k( 461) = ( 0.5000000 0.0000000 0.0428571), wk = 0.0020000 k( 462) = ( 0.5000000 0.0000000 0.0285714), wk = 0.0020000 k( 463) = ( 0.5000000 0.0000000 0.0142857), wk = 0.0020000 k( 464) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0020000 k( 465) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0020000 k( 466) = ( 0.5000000 0.5000000 0.0142857), wk = 0.0020000 k( 467) = ( 0.5000000 0.5000000 0.0285714), wk = 0.0020000 k( 468) = ( 0.5000000 0.5000000 0.0428571), wk = 0.0020000 k( 469) = ( 0.5000000 0.5000000 0.0571429), wk = 0.0020000 k( 470) = ( 0.5000000 0.5000000 0.0714286), wk = 0.0020000 k( 471) = ( 0.5000000 0.5000000 0.0857143), wk = 0.0020000 k( 472) = ( 0.5000000 0.5000000 0.1000000), wk = 0.0020000 k( 473) = ( 0.5000000 0.5000000 0.1142857), wk = 0.0020000 k( 474) = ( 0.5000000 0.5000000 0.1285714), wk = 0.0020000 k( 475) = ( 0.5000000 0.5000000 0.1428571), wk = 0.0020000 k( 476) = ( 0.5000000 0.5000000 0.1571429), wk = 0.0020000 k( 477) = ( 0.5000000 0.5000000 0.1714286), wk = 0.0020000 k( 478) = ( 0.5000000 0.5000000 0.1857143), wk = 0.0020000 k( 479) = ( 0.5000000 0.5000000 0.2000000), wk = 0.0020000 k( 480) = ( 0.5000000 0.5000000 0.2142857), wk = 0.0020000 k( 481) = ( 0.5000000 0.5000000 0.2285714), wk = 0.0020000 k( 482) = ( 0.5000000 0.5000000 0.2428571), wk = 0.0020000 k( 483) = ( 0.5000000 0.5000000 0.2571429), wk = 0.0020000 k( 484) = ( 0.5000000 0.5000000 0.2714286), wk = 0.0020000 k( 485) = ( 0.5000000 0.5000000 0.2857143), wk = 0.0020000 k( 486) = ( 0.5000000 0.5000000 0.3000000), wk = 0.0020000 k( 487) = ( 0.5000000 0.5000000 0.3142857), wk = 0.0020000 k( 488) = ( 0.5000000 0.5000000 0.3285714), wk = 0.0020000 k( 489) = ( 0.5000000 0.5000000 0.3428571), wk = 0.0020000 k( 490) = ( 0.5000000 0.5000000 0.3571429), wk = 0.0020000 k( 491) = ( 0.5000000 0.5000000 0.3714286), wk = 0.0020000 k( 492) = ( 0.5000000 0.5000000 0.3857143), wk = 0.0020000 k( 493) = ( 0.5000000 0.5000000 0.4000000), wk = 0.0020000 k( 494) = ( 0.5000000 0.5000000 0.4142857), wk = 0.0020000 k( 495) = ( 0.5000000 0.5000000 0.4285714), wk = 0.0020000 k( 496) = ( 0.5000000 0.5000000 0.4428571), wk = 0.0020000 k( 497) = ( 0.5000000 0.5000000 0.4571429), wk = 0.0020000 k( 498) = ( 0.5000000 0.5000000 0.4714286), wk = 0.0020000 k( 499) = ( 0.5000000 0.5000000 0.4857143), wk = 0.0020000 k( 500) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0020000 Dense grid: 65559 G-vectors FFT dimensions: ( 40, 60, 60) Smooth grid: 18713 G-vectors FFT dimensions: ( 25, 40, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 156, 52) NL pseudopotentials 0.15 Mb ( 78, 124) Each V/rho on FFT grid 0.07 Mb ( 4800) Each G-vector array 0.02 Mb ( 2051) G-vector shells 0.01 Mb ( 975) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.50 Mb ( 156, 208) Each subspace H/S matrix 0.66 Mb ( 208, 208) Each matrix 0.20 Mb ( 124, 2, 52) The potential is recalculated from file : ./PtO2.save/charge-density.dat Starting wfc are 68 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.9 secs Computing kpt #: 2 total cpu time spent up to now is 5.0 secs Computing kpt #: 3 total cpu time spent up to now is 6.2 secs Computing kpt #: 4 total cpu time spent up to now is 7.3 secs Computing kpt #: 5 total cpu time spent up to now is 8.4 secs Computing kpt #: 6 total cpu time spent up to now is 9.6 secs Computing kpt #: 7 total cpu time spent up to now is 10.7 secs Computing kpt #: 8 total cpu time spent up to now is 11.9 secs Computing kpt #: 9 total cpu time spent up to now is 13.0 secs Computing kpt #: 10 total cpu time spent up to now is 14.2 secs Computing kpt #: 11 total cpu time spent up to now is 15.3 secs Computing kpt #: 12 total cpu time spent up to now is 16.4 secs Computing kpt #: 13 total cpu time spent up to now is 17.5 secs Computing kpt #: 14 total cpu time spent up to now is 18.6 secs Computing kpt #: 15 total cpu time spent up to now is 22.8 secs Computing kpt #: 16 total cpu time spent up to now is 24.2 secs Computing kpt #: 17 total cpu time spent up to now is 25.4 secs Computing kpt #: 18 total cpu time spent up to now is 26.5 secs Computing kpt #: 19 total cpu time spent up to now is 27.6 secs Computing kpt #: 20 total cpu time spent up to now is 28.7 secs Computing kpt #: 21 total cpu time spent up to now is 29.7 secs Computing kpt #: 22 total cpu time spent up to now is 30.8 secs Computing kpt #: 23 total cpu time spent up to now is 31.8 secs Computing kpt #: 24 total cpu time spent up to now is 32.8 secs Computing kpt #: 25 total cpu time spent up to now is 33.7 secs Computing kpt #: 26 total cpu time spent up to now is 34.7 secs Computing kpt #: 27 total cpu time spent up to now is 35.6 secs Computing kpt #: 28 total cpu time spent up to now is 36.6 secs Computing kpt #: 29 total cpu time spent up to now is 37.5 secs Computing kpt #: 30 total cpu time spent up to now is 38.4 secs Computing kpt #: 31 total cpu time spent up to now is 39.3 secs Computing kpt #: 32 total cpu time spent up to now is 40.2 secs Computing kpt #: 33 total cpu time spent up to now is 41.1 secs Computing kpt #: 34 total cpu time spent up to now is 42.0 secs Computing kpt #: 35 total cpu time spent up to now is 42.9 secs Computing kpt #: 36 total cpu time spent up to now is 43.8 secs Computing kpt #: 37 total cpu time spent up to now is 44.7 secs Computing kpt #: 38 total cpu time spent up to now is 45.6 secs Computing kpt #: 39 total cpu time spent up to now is 46.5 secs Computing kpt #: 40 total cpu time spent up to now is 47.4 secs Computing kpt #: 41 total cpu time spent up to now is 48.3 secs Computing kpt #: 42 total cpu time spent up to now is 49.2 secs Computing kpt #: 43 total cpu time spent up to now is 50.0 secs Computing kpt #: 44 total cpu time spent up to now is 50.9 secs Computing kpt #: 45 total cpu time spent up to now is 51.8 secs Computing kpt #: 46 total cpu time spent up to now is 52.7 secs Computing kpt #: 47 total cpu time spent up to now is 53.6 secs Computing kpt #: 48 total cpu time spent up to now is 54.5 secs Computing kpt #: 49 total cpu time spent up to now is 55.4 secs Computing kpt #: 50 total cpu time spent up to now is 56.3 secs Computing kpt #: 51 total cpu time spent up to now is 57.2 secs Computing kpt #: 52 total cpu time spent up to now is 58.1 secs Computing kpt #: 53 total cpu time spent up to now is 59.0 secs Computing kpt #: 54 total cpu time spent up to now is 59.9 secs Computing kpt #: 55 total cpu time spent up to now is 60.7 secs Computing kpt #: 56 total cpu time spent up to now is 61.6 secs Computing kpt #: 57 total cpu time spent up to now is 62.6 secs Computing kpt #: 58 total cpu time spent up to now is 63.5 secs Computing kpt #: 59 total cpu time spent up to now is 64.4 secs Computing kpt #: 60 total cpu time spent up to now is 65.2 secs Computing kpt #: 61 total cpu time spent up to now is 66.1 secs Computing kpt #: 62 total cpu time spent up to now is 67.0 secs Computing kpt #: 63 total cpu time spent up to now is 67.9 secs Computing kpt #: 64 total cpu time spent up to now is 68.8 secs Computing kpt #: 65 total cpu time spent up to now is 69.7 secs Computing kpt #: 66 total cpu time spent up to now is 70.6 secs Computing kpt #: 67 total cpu time spent up to now is 71.5 secs Computing kpt #: 68 total cpu time spent up to now is 72.4 secs Computing kpt #: 69 total cpu time spent up to now is 73.3 secs Computing kpt #: 70 total cpu time spent up to now is 74.1 secs Computing kpt #: 71 total cpu time spent up to now is 75.0 secs Computing kpt #: 72 total cpu time spent up to now is 75.9 secs Computing kpt #: 73 total cpu time spent up to now is 76.8 secs Computing kpt #: 74 total cpu time spent up to now is 77.7 secs Computing kpt #: 75 total cpu time spent up to now is 78.6 secs Computing kpt #: 76 total cpu time spent up to now is 79.4 secs Computing kpt #: 77 total cpu time spent up to now is 80.3 secs Computing kpt #: 78 total cpu time spent up to now is 81.2 secs Computing kpt #: 79 total cpu time spent up to now is 82.1 secs Computing kpt #: 80 total cpu time spent up to now is 83.0 secs Computing kpt #: 81 total cpu time spent up to now is 83.8 secs Computing kpt #: 82 total cpu time spent up to now is 84.7 secs Computing kpt #: 83 total cpu time spent up to now is 85.6 secs Computing kpt #: 84 total cpu time spent up to now is 86.4 secs Computing kpt #: 85 total cpu time spent up to now is 87.3 secs Computing kpt #: 86 total cpu time spent up to now is 88.2 secs Computing kpt #: 87 total cpu time spent up to now is 89.0 secs Computing kpt #: 88 total cpu time spent up to now is 89.9 secs Computing kpt #: 89 total cpu time spent up to now is 90.7 secs Computing kpt #: 90 total cpu time spent up to now is 91.5 secs Computing kpt #: 91 total cpu time spent up to now is 92.4 secs Computing kpt #: 92 total cpu time spent up to now is 93.3 secs Computing kpt #: 93 total cpu time spent up to now is 94.1 secs Computing kpt #: 94 total cpu time spent up to now is 95.0 secs Computing kpt #: 95 total cpu time spent up to now is 95.8 secs Computing kpt #: 96 total cpu time spent up to now is 96.7 secs Computing kpt #: 97 total cpu time spent up to now is 97.6 secs Computing kpt #: 98 total cpu time spent up to now is 98.4 secs Computing kpt #: 99 total cpu time spent up to now is 99.3 secs Computing kpt #: 100 total cpu time spent up to now is 100.2 secs Computing kpt #: 101 total cpu time spent up to now is 101.1 secs Computing kpt #: 102 total cpu time spent up to now is 101.9 secs Computing kpt #: 103 total cpu time spent up to now is 102.8 secs Computing kpt #: 104 total cpu time spent up to now is 103.7 secs Computing kpt #: 105 total cpu time spent up to now is 104.6 secs Computing kpt #: 106 total cpu time spent up to now is 105.5 secs Computing kpt #: 107 total cpu time spent up to now is 106.4 secs Computing kpt #: 108 total cpu time spent up to now is 107.3 secs Computing kpt #: 109 total cpu time spent up to now is 108.2 secs Computing kpt #: 110 total cpu time spent up to now is 109.0 secs Computing kpt #: 111 total cpu time spent up to now is 109.9 secs Computing kpt #: 112 total cpu time spent up to now is 110.8 secs Computing kpt #: 113 total cpu time spent up to now is 111.7 secs Computing kpt #: 114 total cpu time spent up to now is 112.6 secs Computing kpt #: 115 total cpu time spent up to now is 113.5 secs Computing kpt #: 116 total cpu time spent up to now is 114.4 secs Computing kpt #: 117 total cpu time spent up to now is 115.3 secs Computing kpt #: 118 total cpu time spent up to now is 116.2 secs Computing kpt #: 119 total cpu time spent up to now is 117.1 secs Computing kpt #: 120 total cpu time spent up to now is 118.0 secs Computing kpt #: 121 total cpu time spent up to now is 118.9 secs Computing kpt #: 122 total cpu time spent up to now is 119.8 secs Computing kpt #: 123 total cpu time spent up to now is 120.7 secs Computing kpt #: 124 total cpu time spent up to now is 121.6 secs Computing kpt #: 125 total cpu time spent up to now is 122.5 secs Computing kpt #: 126 total cpu time spent up to now is 123.4 secs Computing kpt #: 127 total cpu time spent up to now is 124.3 secs Computing kpt #: 128 total cpu time spent up to now is 125.2 secs Computing kpt #: 129 total cpu time spent up to now is 126.1 secs Computing kpt #: 130 total cpu time spent up to now is 127.0 secs Computing kpt #: 131 total cpu time spent up to now is 127.9 secs Computing kpt #: 132 total cpu time spent up to now is 128.8 secs Computing kpt #: 133 total cpu time spent up to now is 129.7 secs Computing kpt #: 134 total cpu time spent up to now is 130.6 secs Computing kpt #: 135 total cpu time spent up to now is 131.5 secs Computing kpt #: 136 total cpu time spent up to now is 132.4 secs Computing kpt #: 137 total cpu time spent up to now is 133.3 secs Computing kpt #: 138 total cpu time spent up to now is 134.2 secs Computing kpt #: 139 total cpu time spent up to now is 135.1 secs Computing kpt #: 140 total cpu time spent up to now is 136.0 secs Computing kpt #: 141 total cpu time spent up to now is 136.9 secs Computing kpt #: 142 total cpu time spent up to now is 137.8 secs Computing kpt #: 143 total cpu time spent up to now is 138.7 secs Computing kpt #: 144 total cpu time spent up to now is 139.6 secs Computing kpt #: 145 total cpu time spent up to now is 140.5 secs Computing kpt #: 146 total cpu time spent up to now is 141.4 secs Computing kpt #: 147 total cpu time spent up to now is 142.4 secs Computing kpt #: 148 total cpu time spent up to now is 143.3 secs Computing kpt #: 149 total cpu time spent up to now is 144.2 secs Computing kpt #: 150 total cpu time spent up to now is 145.1 secs Computing kpt #: 151 total cpu time spent up to now is 146.0 secs Computing kpt #: 152 total cpu time spent up to now is 147.0 secs Computing kpt #: 153 total cpu time spent up to now is 147.9 secs Computing kpt #: 154 total cpu time spent up to now is 148.9 secs Computing kpt #: 155 total cpu time spent up to now is 150.0 secs Computing kpt #: 156 total cpu time spent up to now is 151.0 secs Computing kpt #: 157 total cpu time spent up to now is 152.0 secs Computing kpt #: 158 total cpu time spent up to now is 153.1 secs Computing kpt #: 159 total cpu time spent up to now is 154.2 secs Computing kpt #: 160 total cpu time spent up to now is 155.3 secs Computing kpt #: 161 total cpu time spent up to now is 156.4 secs Computing kpt #: 162 total cpu time spent up to now is 157.6 secs Computing kpt #: 163 total cpu time spent up to now is 158.7 secs Computing kpt #: 164 total cpu time spent up to now is 159.8 secs Computing kpt #: 165 total cpu time spent up to now is 160.9 secs Computing kpt #: 166 total cpu time spent up to now is 162.0 secs Computing kpt #: 167 total cpu time spent up to now is 163.1 secs Computing kpt #: 168 total cpu time spent up to now is 164.3 secs Computing kpt #: 169 total cpu time spent up to now is 165.4 secs Computing kpt #: 170 total cpu time spent up to now is 166.6 secs Computing kpt #: 171 total cpu time spent up to now is 167.7 secs Computing kpt #: 172 total cpu time spent up to now is 168.8 secs Computing kpt #: 173 total cpu time spent up to now is 170.0 secs Computing kpt #: 174 total cpu time spent up to now is 171.1 secs Computing kpt #: 175 total cpu time spent up to now is 172.2 secs Computing kpt #: 176 total cpu time spent up to now is 173.4 secs Computing kpt #: 177 total cpu time spent up to now is 174.5 secs Computing kpt #: 178 total cpu time spent up to now is 175.6 secs Computing kpt #: 179 total cpu time spent up to now is 176.7 secs Computing kpt #: 180 total cpu time spent up to now is 177.8 secs Computing kpt #: 181 total cpu time spent up to now is 178.9 secs Computing kpt #: 182 total cpu time spent up to now is 180.1 secs Computing kpt #: 183 total cpu time spent up to now is 181.2 secs Computing kpt #: 184 total cpu time spent up to now is 182.4 secs Computing kpt #: 185 total cpu time spent up to now is 183.5 secs Computing kpt #: 186 total cpu time spent up to now is 184.7 secs Computing kpt #: 187 total cpu time spent up to now is 185.9 secs Computing kpt #: 188 total cpu time spent up to now is 187.1 secs Computing kpt #: 189 total cpu time spent up to now is 188.3 secs Computing kpt #: 190 total cpu time spent up to now is 189.4 secs Computing kpt #: 191 total cpu time spent up to now is 190.6 secs Computing kpt #: 192 total cpu time spent up to now is 191.7 secs Computing kpt #: 193 total cpu time spent up to now is 192.8 secs Computing kpt #: 194 total cpu time spent up to now is 193.9 secs Computing kpt #: 195 total cpu time spent up to now is 194.9 secs Computing kpt #: 196 total cpu time spent up to now is 196.1 secs Computing kpt #: 197 total cpu time spent up to now is 197.1 secs Computing kpt #: 198 total cpu time spent up to now is 198.1 secs Computing kpt #: 199 total cpu time spent up to now is 199.2 secs Computing kpt #: 200 total cpu time spent up to now is 200.2 secs Computing kpt #: 201 total cpu time spent up to now is 201.1 secs Computing kpt #: 202 total cpu time spent up to now is 202.1 secs Computing kpt #: 203 total cpu time spent up to now is 203.1 secs Computing kpt #: 204 total cpu time spent up to now is 204.0 secs Computing kpt #: 205 total cpu time spent up to now is 204.9 secs Computing kpt #: 206 total cpu time spent up to now is 205.8 secs Computing kpt #: 207 total cpu time spent up to now is 206.7 secs Computing kpt #: 208 total cpu time spent up to now is 207.6 secs Computing kpt #: 209 total cpu time spent up to now is 208.5 secs Computing kpt #: 210 total cpu time spent up to now is 209.4 secs Computing kpt #: 211 total cpu time spent up to now is 210.3 secs Computing kpt #: 212 total cpu time spent up to now is 211.2 secs Computing kpt #: 213 total cpu time spent up to now is 212.1 secs Computing kpt #: 214 total cpu time spent up to now is 213.0 secs Computing kpt #: 215 total cpu time spent up to now is 213.9 secs Computing kpt #: 216 total cpu time spent up to now is 214.8 secs Computing kpt #: 217 total cpu time spent up to now is 215.7 secs Computing kpt #: 218 total cpu time spent up to now is 216.6 secs Computing kpt #: 219 total cpu time spent up to now is 217.5 secs Computing kpt #: 220 total cpu time spent up to now is 218.4 secs Computing kpt #: 221 total cpu time spent up to now is 219.3 secs Computing kpt #: 222 total cpu time spent up to now is 220.2 secs Computing kpt #: 223 total cpu time spent up to now is 221.1 secs Computing kpt #: 224 total cpu time spent up to now is 222.0 secs Computing kpt #: 225 total cpu time spent up to now is 222.9 secs Computing kpt #: 226 total cpu time spent up to now is 223.8 secs Computing kpt #: 227 total cpu time spent up to now is 224.7 secs Computing kpt #: 228 total cpu time spent up to now is 225.6 secs Computing kpt #: 229 total cpu time spent up to now is 226.5 secs Computing kpt #: 230 total cpu time spent up to now is 227.4 secs Computing kpt #: 231 total cpu time spent up to now is 228.3 secs Computing kpt #: 232 total cpu time spent up to now is 229.1 secs Computing kpt #: 233 total cpu time spent up to now is 230.0 secs Computing kpt #: 234 total cpu time spent up to now is 230.9 secs Computing kpt #: 235 total cpu time spent up to now is 231.8 secs Computing kpt #: 236 total cpu time spent up to now is 232.7 secs Computing kpt #: 237 total cpu time spent up to now is 233.6 secs Computing kpt #: 238 total cpu time spent up to now is 234.5 secs Computing kpt #: 239 total cpu time spent up to now is 235.4 secs Computing kpt #: 240 total cpu time spent up to now is 236.3 secs Computing kpt #: 241 total cpu time spent up to now is 237.2 secs Computing kpt #: 242 total cpu time spent up to now is 238.1 secs Computing kpt #: 243 total cpu time spent up to now is 239.0 secs Computing kpt #: 244 total cpu time spent up to now is 239.9 secs Computing kpt #: 245 total cpu time spent up to now is 240.8 secs Computing kpt #: 246 total cpu time spent up to now is 241.7 secs Computing kpt #: 247 total cpu time spent up to now is 242.6 secs Computing kpt #: 248 total cpu time spent up to now is 243.5 secs Computing kpt #: 249 total cpu time spent up to now is 244.4 secs Computing kpt #: 250 total cpu time spent up to now is 245.3 secs Computing kpt #: 251 total cpu time spent up to now is 246.1 secs Computing kpt #: 252 total cpu time spent up to now is 247.0 secs Computing kpt #: 253 total cpu time spent up to now is 247.9 secs Computing kpt #: 254 total cpu time spent up to now is 248.8 secs Computing kpt #: 255 total cpu time spent up to now is 249.7 secs Computing kpt #: 256 total cpu time spent up to now is 250.5 secs Computing kpt #: 257 total cpu time spent up to now is 251.4 secs Computing kpt #: 258 total cpu time spent up to now is 252.3 secs Computing kpt #: 259 total cpu time spent up to now is 253.2 secs Computing kpt #: 260 total cpu time spent up to now is 254.0 secs Computing kpt #: 261 total cpu time spent up to now is 254.9 secs Computing kpt #: 262 total cpu time spent up to now is 255.7 secs Computing kpt #: 263 total cpu time spent up to now is 256.6 secs Computing kpt #: 264 total cpu time spent up to now is 257.4 secs Computing kpt #: 265 total cpu time spent up to now is 258.3 secs Computing kpt #: 266 total cpu time spent up to now is 259.1 secs Computing kpt #: 267 total cpu time spent up to now is 260.0 secs Computing kpt #: 268 total cpu time spent up to now is 260.8 secs Computing kpt #: 269 total cpu time spent up to now is 261.7 secs Computing kpt #: 270 total cpu time spent up to now is 262.5 secs Computing kpt #: 271 total cpu time spent up to now is 263.4 secs Computing kpt #: 272 total cpu time spent up to now is 264.2 secs Computing kpt #: 273 total cpu time spent up to now is 265.1 secs Computing kpt #: 274 total cpu time spent up to now is 266.0 secs Computing kpt #: 275 total cpu time spent up to now is 266.8 secs Computing kpt #: 276 total cpu time spent up to now is 267.7 secs Computing kpt #: 277 total cpu time spent up to now is 268.6 secs Computing kpt #: 278 total cpu time spent up to now is 269.4 secs Computing kpt #: 279 total cpu time spent up to now is 270.3 secs Computing kpt #: 280 total cpu time spent up to now is 271.2 secs Computing kpt #: 281 total cpu time spent up to now is 272.1 secs Computing kpt #: 282 total cpu time spent up to now is 272.9 secs Computing kpt #: 283 total cpu time spent up to now is 273.8 secs Computing kpt #: 284 total cpu time spent up to now is 274.7 secs Computing kpt #: 285 total cpu time spent up to now is 275.6 secs Computing kpt #: 286 total cpu time spent up to now is 276.5 secs Computing kpt #: 287 total cpu time spent up to now is 277.4 secs Computing kpt #: 288 total cpu time spent up to now is 278.2 secs Computing kpt #: 289 total cpu time spent up to now is 279.1 secs Computing kpt #: 290 total cpu time spent up to now is 280.0 secs Computing kpt #: 291 total cpu time spent up to now is 280.9 secs Computing kpt #: 292 total cpu time spent up to now is 281.8 secs Computing kpt #: 293 total cpu time spent up to now is 282.7 secs Computing kpt #: 294 total cpu time spent up to now is 283.5 secs Computing kpt #: 295 total cpu time spent up to now is 284.4 secs Computing kpt #: 296 total cpu time spent up to now is 285.3 secs Computing kpt #: 297 total cpu time spent up to now is 286.1 secs Computing kpt #: 298 total cpu time spent up to now is 287.0 secs Computing kpt #: 299 total cpu time spent up to now is 287.9 secs Computing kpt #: 300 total cpu time spent up to now is 288.8 secs Computing kpt #: 301 total cpu time spent up to now is 289.7 secs Computing kpt #: 302 total cpu time spent up to now is 290.5 secs Computing kpt #: 303 total cpu time spent up to now is 291.4 secs Computing kpt #: 304 total cpu time spent up to now is 292.3 secs Computing kpt #: 305 total cpu time spent up to now is 293.1 secs Computing kpt #: 306 total cpu time spent up to now is 294.0 secs Computing kpt #: 307 total cpu time spent up to now is 294.8 secs Computing kpt #: 308 total cpu time spent up to now is 295.7 secs Computing kpt #: 309 total cpu time spent up to now is 296.5 secs Computing kpt #: 310 total cpu time spent up to now is 297.4 secs Computing kpt #: 311 total cpu time spent up to now is 298.3 secs Computing kpt #: 312 total cpu time spent up to now is 299.2 secs Computing kpt #: 313 total cpu time spent up to now is 300.0 secs Computing kpt #: 314 total cpu time spent up to now is 300.9 secs Computing kpt #: 315 total cpu time spent up to now is 301.7 secs Computing kpt #: 316 total cpu time spent up to now is 302.6 secs Computing kpt #: 317 total cpu time spent up to now is 303.5 secs Computing kpt #: 318 total cpu time spent up to now is 304.4 secs Computing kpt #: 319 total cpu time spent up to now is 305.3 secs Computing kpt #: 320 total cpu time spent up to now is 306.1 secs Computing kpt #: 321 total cpu time spent up to now is 307.0 secs Computing kpt #: 322 total cpu time spent up to now is 307.9 secs Computing kpt #: 323 total cpu time spent up to now is 308.8 secs Computing kpt #: 324 total cpu time spent up to now is 309.6 secs Computing kpt #: 325 total cpu time spent up to now is 310.5 secs Computing kpt #: 326 total cpu time spent up to now is 311.4 secs Computing kpt #: 327 total cpu time spent up to now is 312.3 secs Computing kpt #: 328 total cpu time spent up to now is 313.1 secs Computing kpt #: 329 total cpu time spent up to now is 314.0 secs Computing kpt #: 330 total cpu time spent up to now is 314.9 secs Computing kpt #: 331 total cpu time spent up to now is 315.8 secs Computing kpt #: 332 total cpu time spent up to now is 316.6 secs Computing kpt #: 333 total cpu time spent up to now is 317.5 secs Computing kpt #: 334 total cpu time spent up to now is 318.4 secs Computing kpt #: 335 total cpu time spent up to now is 320.5 secs Computing kpt #: 336 total cpu time spent up to now is 323.3 secs Computing kpt #: 337 total cpu time spent up to now is 324.2 secs Computing kpt #: 338 total cpu time spent up to now is 325.1 secs Computing kpt #: 339 total cpu time spent up to now is 326.0 secs Computing kpt #: 340 total cpu time spent up to now is 326.8 secs Computing kpt #: 341 total cpu time spent up to now is 327.7 secs Computing kpt #: 342 total cpu time spent up to now is 328.6 secs Computing kpt #: 343 total cpu time spent up to now is 329.4 secs Computing kpt #: 344 total cpu time spent up to now is 330.3 secs Computing kpt #: 345 total cpu time spent up to now is 331.2 secs Computing kpt #: 346 total cpu time spent up to now is 332.0 secs Computing kpt #: 347 total cpu time spent up to now is 332.9 secs Computing kpt #: 348 total cpu time spent up to now is 333.8 secs Computing kpt #: 349 total cpu time spent up to now is 334.6 secs Computing kpt #: 350 total cpu time spent up to now is 335.5 secs Computing kpt #: 351 total cpu time spent up to now is 336.4 secs Computing kpt #: 352 total cpu time spent up to now is 337.2 secs Computing kpt #: 353 total cpu time spent up to now is 338.1 secs Computing kpt #: 354 total cpu time spent up to now is 338.9 secs Computing kpt #: 355 total cpu time spent up to now is 339.8 secs Computing kpt #: 356 total cpu time spent up to now is 340.6 secs Computing kpt #: 357 total cpu time spent up to now is 341.5 secs Computing kpt #: 358 total cpu time spent up to now is 342.3 secs Computing kpt #: 359 total cpu time spent up to now is 343.2 secs Computing kpt #: 360 total cpu time spent up to now is 344.1 secs Computing kpt #: 361 total cpu time spent up to now is 344.9 secs Computing kpt #: 362 total cpu time spent up to now is 345.8 secs Computing kpt #: 363 total cpu time spent up to now is 346.7 secs Computing kpt #: 364 total cpu time spent up to now is 347.5 secs Computing kpt #: 365 total cpu time spent up to now is 348.4 secs Computing kpt #: 366 total cpu time spent up to now is 349.3 secs Computing kpt #: 367 total cpu time spent up to now is 350.2 secs Computing kpt #: 368 total cpu time spent up to now is 351.0 secs Computing kpt #: 369 total cpu time spent up to now is 351.9 secs Computing kpt #: 370 total cpu time spent up to now is 352.8 secs Computing kpt #: 371 total cpu time spent up to now is 353.6 secs Computing kpt #: 372 total cpu time spent up to now is 354.5 secs Computing kpt #: 373 total cpu time spent up to now is 355.4 secs Computing kpt #: 374 total cpu time spent up to now is 356.3 secs Computing kpt #: 375 total cpu time spent up to now is 357.2 secs Computing kpt #: 376 total cpu time spent up to now is 358.0 secs Computing kpt #: 377 total cpu time spent up to now is 358.9 secs Computing kpt #: 378 total cpu time spent up to now is 359.8 secs Computing kpt #: 379 total cpu time spent up to now is 360.7 secs Computing kpt #: 380 total cpu time spent up to now is 361.6 secs Computing kpt #: 381 total cpu time spent up to now is 362.5 secs Computing kpt #: 382 total cpu time spent up to now is 363.3 secs Computing kpt #: 383 total cpu time spent up to now is 364.2 secs Computing kpt #: 384 total cpu time spent up to now is 365.1 secs Computing kpt #: 385 total cpu time spent up to now is 366.0 secs Computing kpt #: 386 total cpu time spent up to now is 366.9 secs Computing kpt #: 387 total cpu time spent up to now is 367.8 secs Computing kpt #: 388 total cpu time spent up to now is 368.6 secs Computing kpt #: 389 total cpu time spent up to now is 369.5 secs Computing kpt #: 390 total cpu time spent up to now is 370.4 secs Computing kpt #: 391 total cpu time spent up to now is 371.3 secs Computing kpt #: 392 total cpu time spent up to now is 372.2 secs Computing kpt #: 393 total cpu time spent up to now is 373.1 secs Computing kpt #: 394 total cpu time spent up to now is 374.0 secs Computing kpt #: 395 total cpu time spent up to now is 374.9 secs Computing kpt #: 396 total cpu time spent up to now is 375.8 secs Computing kpt #: 397 total cpu time spent up to now is 376.7 secs Computing kpt #: 398 total cpu time spent up to now is 377.6 secs Computing kpt #: 399 total cpu time spent up to now is 378.5 secs Computing kpt #: 400 total cpu time spent up to now is 379.3 secs Computing kpt #: 401 total cpu time spent up to now is 380.2 secs Computing kpt #: 402 total cpu time spent up to now is 381.1 secs Computing kpt #: 403 total cpu time spent up to now is 382.0 secs Computing kpt #: 404 total cpu time spent up to now is 382.9 secs Computing kpt #: 405 total cpu time spent up to now is 383.8 secs Computing kpt #: 406 total cpu time spent up to now is 384.7 secs Computing kpt #: 407 total cpu time spent up to now is 385.6 secs Computing kpt #: 408 total cpu time spent up to now is 386.4 secs Computing kpt #: 409 total cpu time spent up to now is 387.3 secs Computing kpt #: 410 total cpu time spent up to now is 388.2 secs Computing kpt #: 411 total cpu time spent up to now is 389.1 secs Computing kpt #: 412 total cpu time spent up to now is 390.0 secs Computing kpt #: 413 total cpu time spent up to now is 390.8 secs Computing kpt #: 414 total cpu time spent up to now is 391.7 secs Computing kpt #: 415 total cpu time spent up to now is 392.6 secs Computing kpt #: 416 total cpu time spent up to now is 393.5 secs Computing kpt #: 417 total cpu time spent up to now is 394.3 secs Computing kpt #: 418 total cpu time spent up to now is 395.2 secs Computing kpt #: 419 total cpu time spent up to now is 396.1 secs Computing kpt #: 420 total cpu time spent up to now is 396.9 secs Computing kpt #: 421 total cpu time spent up to now is 397.8 secs Computing kpt #: 422 total cpu time spent up to now is 398.7 secs Computing kpt #: 423 total cpu time spent up to now is 399.5 secs Computing kpt #: 424 total cpu time spent up to now is 400.4 secs Computing kpt #: 425 total cpu time spent up to now is 401.3 secs Computing kpt #: 426 total cpu time spent up to now is 402.1 secs Computing kpt #: 427 total cpu time spent up to now is 403.0 secs Computing kpt #: 428 total cpu time spent up to now is 403.8 secs Computing kpt #: 429 total cpu time spent up to now is 404.7 secs Computing kpt #: 430 total cpu time spent up to now is 405.5 secs Computing kpt #: 431 total cpu time spent up to now is 406.4 secs Computing kpt #: 432 total cpu time spent up to now is 407.2 secs Computing kpt #: 433 total cpu time spent up to now is 408.1 secs Computing kpt #: 434 total cpu time spent up to now is 408.9 secs Computing kpt #: 435 total cpu time spent up to now is 409.8 secs Computing kpt #: 436 total cpu time spent up to now is 410.7 secs Computing kpt #: 437 total cpu time spent up to now is 411.5 secs Computing kpt #: 438 total cpu time spent up to now is 412.4 secs Computing kpt #: 439 total cpu time spent up to now is 413.2 secs Computing kpt #: 440 total cpu time spent up to now is 414.1 secs Computing kpt #: 441 total cpu time spent up to now is 415.0 secs Computing kpt #: 442 total cpu time spent up to now is 415.8 secs Computing kpt #: 443 total cpu time spent up to now is 416.7 secs Computing kpt #: 444 total cpu time spent up to now is 417.6 secs Computing kpt #: 445 total cpu time spent up to now is 418.4 secs Computing kpt #: 446 total cpu time spent up to now is 419.3 secs Computing kpt #: 447 total cpu time spent up to now is 420.2 secs Computing kpt #: 448 total cpu time spent up to now is 421.0 secs Computing kpt #: 449 total cpu time spent up to now is 421.9 secs Computing kpt #: 450 total cpu time spent up to now is 422.8 secs Computing kpt #: 451 total cpu time spent up to now is 423.7 secs Computing kpt #: 452 total cpu time spent up to now is 424.6 secs Computing kpt #: 453 total cpu time spent up to now is 425.4 secs Computing kpt #: 454 total cpu time spent up to now is 426.3 secs Computing kpt #: 455 total cpu time spent up to now is 427.2 secs Computing kpt #: 456 total cpu time spent up to now is 428.1 secs Computing kpt #: 457 total cpu time spent up to now is 429.0 secs Computing kpt #: 458 total cpu time spent up to now is 429.9 secs Computing kpt #: 459 total cpu time spent up to now is 430.8 secs Computing kpt #: 460 total cpu time spent up to now is 431.7 secs Computing kpt #: 461 total cpu time spent up to now is 432.6 secs Computing kpt #: 462 total cpu time spent up to now is 433.5 secs Computing kpt #: 463 total cpu time spent up to now is 434.4 secs Computing kpt #: 464 total cpu time spent up to now is 435.2 secs Computing kpt #: 465 total cpu time spent up to now is 436.1 secs Computing kpt #: 466 total cpu time spent up to now is 437.0 secs Computing kpt #: 467 total cpu time spent up to now is 437.8 secs Computing kpt #: 468 total cpu time spent up to now is 438.6 secs Computing kpt #: 469 total cpu time spent up to now is 439.5 secs Computing kpt #: 470 total cpu time spent up to now is 440.4 secs Computing kpt #: 471 total cpu time spent up to now is 441.2 secs Computing kpt #: 472 total cpu time spent up to now is 442.1 secs Computing kpt #: 473 total cpu time spent up to now is 443.0 secs Computing kpt #: 474 total cpu time spent up to now is 443.8 secs Computing kpt #: 475 total cpu time spent up to now is 444.7 secs Computing kpt #: 476 total cpu time spent up to now is 445.5 secs Computing kpt #: 477 total cpu time spent up to now is 446.4 secs Computing kpt #: 478 total cpu time spent up to now is 447.3 secs Computing kpt #: 479 total cpu time spent up to now is 448.2 secs Computing kpt #: 480 total cpu time spent up to now is 449.1 secs Computing kpt #: 481 total cpu time spent up to now is 449.9 secs Computing kpt #: 482 total cpu time spent up to now is 450.8 secs Computing kpt #: 483 total cpu time spent up to now is 451.7 secs Computing kpt #: 484 total cpu time spent up to now is 452.6 secs Computing kpt #: 485 total cpu time spent up to now is 453.4 secs Computing kpt #: 486 total cpu time spent up to now is 454.3 secs Computing kpt #: 487 total cpu time spent up to now is 455.2 secs Computing kpt #: 488 total cpu time spent up to now is 456.1 secs Computing kpt #: 489 total cpu time spent up to now is 456.9 secs Computing kpt #: 490 total cpu time spent up to now is 457.8 secs Computing kpt #: 491 total cpu time spent up to now is 458.7 secs Computing kpt #: 492 total cpu time spent up to now is 459.6 secs Computing kpt #: 493 total cpu time spent up to now is 460.5 secs Computing kpt #: 494 total cpu time spent up to now is 461.4 secs Computing kpt #: 495 total cpu time spent up to now is 462.3 secs Computing kpt #: 496 total cpu time spent up to now is 463.2 secs Computing kpt #: 497 total cpu time spent up to now is 464.0 secs Computing kpt #: 498 total cpu time spent up to now is 464.8 secs Computing kpt #: 499 total cpu time spent up to now is 465.6 secs Computing kpt #: 500 total cpu time spent up to now is 466.5 secs ethr = 2.27E-11, avg # of iterations = 23.9 total cpu time spent up to now is 466.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 2361 PWs) bands (ev): -9.1933 -9.1933 -7.9645 -7.9645 -7.0471 -7.0471 -6.7646 -6.7646 1.9698 1.9698 2.1068 2.1068 3.4102 3.4102 3.7442 3.7442 3.8693 3.8693 6.3402 6.3402 6.8349 6.8349 7.6046 7.6046 7.6862 7.6862 7.7104 7.7104 8.1495 8.1495 8.3497 8.3497 8.4318 8.4318 8.9073 8.9073 9.3938 9.3938 9.4237 9.4237 9.7405 9.7405 10.9713 10.9713 12.4811 12.4811 14.6381 14.6381 14.9921 14.9921 15.5887 15.5887 k = 0.0098-0.0000-0.0000 ( 2365 PWs) bands (ev): -9.1924 -9.1924 -7.9640 -7.9640 -7.0475 -7.0475 -6.7652 -6.7652 1.9712 1.9712 2.1078 2.1078 3.4109 3.4109 3.7451 3.7451 3.8702 3.8702 6.3409 6.3409 6.8292 6.8292 7.6023 7.6023 7.6836 7.6836 7.7085 7.7085 8.1484 8.1484 8.3410 8.3410 8.4396 8.4396 8.9049 8.9049 9.3994 9.3994 9.4290 9.4290 9.7403 9.7403 10.9737 10.9737 12.4808 12.4808 14.6356 14.6356 14.9893 14.9893 15.5910 15.5910 k = 0.0196-0.0000-0.0000 ( 2365 PWs) bands (ev): -9.1897 -9.1897 -7.9626 -7.9626 -7.0488 -7.0488 -6.7671 -6.7671 1.9754 1.9754 2.1108 2.1108 3.4129 3.4129 3.7477 3.7477 3.8730 3.8730 6.3428 6.3428 6.8125 6.8125 7.5954 7.5954 7.6726 7.6726 7.7060 7.7060 8.1448 8.1448 8.3210 8.3210 8.4575 8.4575 8.8979 8.8979 9.4156 9.4156 9.4445 9.4445 9.7396 9.7396 10.9808 10.9808 12.4801 12.4801 14.6281 14.6281 14.9809 14.9809 15.5975 15.5975 k = 0.0294-0.0000-0.0000 ( 2361 PWs) bands (ev): -9.1852 -9.1852 -7.9602 -7.9602 -7.0510 -7.0510 -6.7702 -6.7702 1.9823 1.9823 2.1159 2.1159 3.4164 3.4164 3.7520 3.7520 3.8777 3.8777 6.3458 6.3458 6.7853 6.7853 7.5841 7.5841 7.6502 7.6502 7.7064 7.7064 8.1374 8.1374 8.2978 8.2978 8.4790 8.4790 8.8873 8.8873 9.4414 9.4414 9.4693 9.4693 9.7387 9.7387 10.9925 10.9925 12.4788 12.4788 14.6157 14.6157 14.9670 14.9670 15.6079 15.6079 k = 0.0392-0.0000-0.0000 ( 2367 PWs) bands (ev): -9.1789 -9.1789 -7.9569 -7.9569 -7.0541 -7.0541 -6.7745 -6.7745 1.9921 1.9921 2.1229 2.1229 3.4211 3.4211 3.7580 3.7580 3.8842 3.8842 6.3497 6.3497 6.7486 6.7486 7.5683 7.5683 7.6176 7.6176 7.7088 7.7088 8.1241 8.1241 8.2763 8.2763 8.5018 8.5018 8.8742 8.8742 9.4754 9.4754 9.5022 9.5022 9.7373 9.7373 11.0086 11.0086 12.4772 12.4772 14.5985 14.5985 14.9478 14.9478 15.6214 15.6214 k = 0.0490-0.0000-0.0000 ( 2367 PWs) bands (ev): -9.1709 -9.1709 -7.9527 -7.9527 -7.0580 -7.0580 -6.7801 -6.7801 2.0046 2.0046 2.1319 2.1319 3.4272 3.4272 3.7657 3.7657 3.8926 3.8926 6.3542 6.3542 6.7036 6.7036 7.5481 7.5481 7.5763 7.5763 7.7122 7.7122 8.1026 8.1026 8.2601 8.2601 8.5247 8.5247 8.8597 8.8597 9.5160 9.5160 9.5421 9.5421 9.7357 9.7357 11.0288 11.0288 12.4753 12.4753 14.5767 14.5767 14.9235 14.9235 15.6368 15.6368 k = 0.0588-0.0000-0.0000 ( 2359 PWs) bands (ev): -9.1611 -9.1611 -7.9475 -7.9475 -7.0628 -7.0628 -6.7868 -6.7868 2.0198 2.0198 2.1429 2.1429 3.4346 3.4346 3.7751 3.7751 3.9028 3.9028 6.3582 6.3582 6.6521 6.6521 7.5226 7.5226 7.5287 7.5287 7.7160 7.7160 8.0731 8.0731 8.2505 8.2505 8.5471 8.5471 8.8446 8.8446 9.5614 9.5614 9.5881 9.5881 9.7339 9.7339 11.0528 11.0528 12.4731 12.4731 14.5506 14.5506 14.8945 14.8945 15.6524 15.6524 k = 0.0686-0.0000-0.0000 ( 2363 PWs) bands (ev): -9.1496 -9.1496 -7.9415 -7.9415 -7.0684 -7.0684 -6.7947 -6.7947 2.0378 2.0378 2.1558 2.1558 3.4433 3.4433 3.7863 3.7863 3.9149 3.9149 6.3601 6.3601 6.5967 6.5967 7.4720 7.4720 7.4956 7.4956 7.7194 7.7194 8.0379 8.0379 8.2462 8.2462 8.5686 8.5686 8.8296 8.8296 9.6102 9.6102 9.6390 9.6390 9.7321 9.7321 11.0800 11.0800 12.4708 12.4708 14.5203 14.5203 14.8609 14.8609 15.6660 15.6660 k = 0.0784-0.0000-0.0000 ( 2355 PWs) bands (ev): -9.1364 -9.1364 -7.9347 -7.9347 -7.0747 -7.0747 -6.8037 -6.8037 2.0584 2.0584 2.1706 2.1706 3.4533 3.4533 3.7991 3.7991 3.9288 3.9288 6.3558 6.3558 6.5423 6.5423 7.4117 7.4117 7.4626 7.4626 7.7215 7.7215 8.0004 8.0004 8.2449 8.2449 8.5887 8.5887 8.8152 8.8152 9.6613 9.6613 9.6932 9.6932 9.7313 9.7313 11.1100 11.1100 12.4686 12.4686 14.4862 14.4862 14.8233 14.8233 15.6752 15.6752 k = 0.0882-0.0000-0.0000 ( 2353 PWs) bands (ev): -9.1215 -9.1215 -7.9271 -7.9271 -7.0818 -7.0818 -6.8138 -6.8138 2.0817 2.0817 2.1873 2.1873 3.4644 3.4644 3.8136 3.8136 3.9445 3.9445 6.3362 6.3362 6.4987 6.4987 7.3468 7.3468 7.4259 7.4259 7.7207 7.7207 7.9643 7.9643 8.2450 8.2450 8.6073 8.6073 8.8016 8.8016 9.7103 9.7103 9.7289 9.7289 9.7561 9.7561 11.1423 11.1423 12.4666 12.4666 14.4487 14.4487 14.7819 14.7819 15.6778 15.6778 k = 0.0980-0.0000-0.0000 ( 2353 PWs) bands (ev): -9.1050 -9.1050 -7.9187 -7.9187 -7.0896 -7.0896 -6.8249 -6.8249 2.1077 2.1077 2.2057 2.2057 3.4768 3.4768 3.8297 3.8297 3.9620 3.9620 6.2920 6.2920 6.4757 6.4757 7.2781 7.2781 7.3856 7.3856 7.7146 7.7146 7.9330 7.9330 8.2453 8.2453 8.6240 8.6240 8.7890 8.7890 9.7207 9.7207 9.7727 9.7727 9.8153 9.8153 11.1761 11.1761 12.4651 12.4651 14.4079 14.4079 14.7372 14.7372 15.6720 15.6720 k = 0.1078-0.0000-0.0000 ( 2353 PWs) bands (ev): -9.0868 -9.0868 -7.9096 -7.9096 -7.0981 -7.0981 -6.8370 -6.8370 2.1362 2.1362 2.2259 2.2259 3.4903 3.4903 3.8475 3.8475 3.9814 3.9814 6.2270 6.2270 6.4700 6.4700 7.2064 7.2064 7.3420 7.3420 7.7010 7.7010 7.9101 7.9101 8.2449 8.2449 8.6388 8.6388 8.7775 8.7775 9.7192 9.7192 9.8282 9.8282 9.8775 9.8775 11.2109 11.2109 12.4643 12.4643 14.3644 14.3644 14.6896 14.6896 15.6571 15.6571 k = 0.1176-0.0000-0.0000 ( 2351 PWs) bands (ev): -9.0671 -9.0671 -7.8999 -7.8999 -7.1072 -7.1072 -6.8501 -6.8501 2.1672 2.1672 2.2479 2.2479 3.5049 3.5049 3.8669 3.8669 4.0025 4.0025 6.1502 6.1502 6.4726 6.4726 7.1322 7.1322 7.2956 7.2956 7.6787 7.6787 7.8973 7.8973 8.2431 8.2431 8.6516 8.6516 8.7671 8.7671 9.7171 9.7171 9.8852 9.8852 9.9408 9.9408 11.2459 11.2459 12.4645 12.4645 14.3185 14.3185 14.6395 14.6395 15.6335 15.6335 k = 0.1275-0.0000-0.0000 ( 2349 PWs) bands (ev): -9.0458 -9.0458 -7.8896 -7.8896 -7.1169 -7.1169 -6.8640 -6.8640 2.2007 2.2007 2.2715 2.2715 3.5206 3.5206 3.8879 3.8879 4.0255 4.0255 6.0672 6.0672 6.4781 6.4781 7.0564 7.0564 7.2470 7.2470 7.6489 7.6489 7.8936 7.8936 8.2393 8.2393 8.6625 8.6625 8.7581 8.7581 9.7148 9.7148 9.9430 9.9430 10.0047 10.0047 11.2803 11.2803 12.4661 12.4661 14.2705 14.2705 14.5874 14.5874 15.6017 15.6017 k = 0.1373-0.0000-0.0000 ( 2349 PWs) bands (ev): -9.0230 -9.0230 -7.8787 -7.8787 -7.1272 -7.1272 -6.8787 -6.8787 2.2366 2.2366 2.2967 2.2967 3.5373 3.5373 3.9104 3.9104 4.0502 4.0502 5.9803 5.9803 6.4835 6.4835 6.9798 6.9798 7.1968 7.1968 7.6143 7.6143 7.8967 7.8967 8.2330 8.2330 8.6713 8.6713 8.7504 8.7504 9.7127 9.7127 10.0014 10.0014 10.0688 10.0688 11.3134 11.3134 12.4694 12.4694 14.2208 14.2208 14.5335 14.5335 15.5629 15.5629 k = 0.1471-0.0000-0.0000 ( 2349 PWs) bands (ev): -8.9988 -8.9988 -7.8673 -7.8673 -7.1379 -7.1379 -6.8942 -6.8942 2.2748 2.2748 2.3234 2.3234 3.5550 3.5550 3.9344 3.9344 4.0766 4.0766 5.8911 5.8911 6.4867 6.4867 6.9033 6.9033 7.1460 7.1460 7.5775 7.5775 7.9044 7.9044 8.2238 8.2238 8.6780 8.6780 8.7445 8.7445 9.7107 9.7107 10.0599 10.0599 10.1327 10.1327 11.3445 11.3445 12.4747 12.4747 14.1698 14.1698 14.4785 14.4785 15.5179 15.5179 k = 0.1569-0.0000-0.0000 ( 2355 PWs) bands (ev): -8.9732 -8.9732 -7.8556 -7.8556 -7.1491 -7.1491 -6.9104 -6.9104 2.3151 2.3151 2.3518 2.3518 3.5737 3.5737 3.9599 3.9599 4.1049 4.1049 5.8005 5.8005 6.4851 6.4851 6.8285 6.8285 7.0954 7.0954 7.5403 7.5403 7.9149 7.9149 8.2112 8.2112 8.6825 8.6825 8.7408 8.7408 9.7089 9.7089 10.1186 10.1186 10.1961 10.1961 11.3729 11.3729 12.4823 12.4823 14.1178 14.1178 14.4225 14.4225 15.4675 15.4675 k = 0.1667-0.0000-0.0000 ( 2351 PWs) bands (ev): -8.9462 -8.9462 -7.8436 -7.8436 -7.1607 -7.1607 -6.9273 -6.9273 2.3572 2.3572 2.3819 2.3819 3.5934 3.5934 3.9867 3.9867 4.1348 4.1348 5.7090 5.7090 6.4755 6.4755 6.7575 6.7575 7.0462 7.0462 7.5039 7.5039 7.9274 7.9274 8.1950 8.1950 8.6844 8.6844 8.7397 8.7397 9.7073 9.7073 10.1771 10.1771 10.2587 10.2587 11.3979 11.3979 12.4925 12.4925 14.0652 14.0652 14.3660 14.3660 15.4125 15.4125 k = 0.1765-0.0000-0.0000 ( 2345 PWs) bands (ev): -8.9180 -8.9180 -7.8312 -7.8312 -7.1726 -7.1726 -6.9447 -6.9447 2.3997 2.3997 2.4150 2.4150 3.6139 3.6139 4.0148 4.0148 4.1666 4.1666 5.6173 5.6173 6.4538 6.4538 6.6933 6.6933 6.9997 6.9997 7.4692 7.4692 7.9410 7.9410 8.1750 8.1750 8.6836 8.6836 8.7415 8.7415 9.7059 9.7059 10.2353 10.2353 10.3204 10.3204 11.4190 11.4190 12.5055 12.5055 14.0123 14.0123 14.3094 14.3094 15.3535 15.3535 k = 0.1863-0.0000-0.0000 ( 2345 PWs) bands (ev): -8.8886 -8.8886 -7.8187 -7.8187 -7.1848 -7.1848 -6.9626 -6.9626 2.4381 2.4381 2.4552 2.4552 3.6352 3.6352 4.0441 4.0441 4.2000 4.2000 5.5257 5.5257 6.4162 6.4162 6.6384 6.6384 6.9571 6.9571 7.4371 7.4371 7.9553 7.9553 8.1510 8.1510 8.6805 8.6805 8.7460 8.7460 9.7046 9.7046 10.2930 10.2930 10.3810 10.3810 11.4359 11.4359 12.5214 12.5214 13.9594 13.9594 14.2529 14.2529 15.2909 15.2909 k = 0.1961-0.0000-0.0000 ( 2345 PWs) bands (ev): -8.8580 -8.8580 -7.8062 -7.8062 -7.1972 -7.1972 -6.9809 -6.9809 2.4727 2.4727 2.5023 2.5023 3.6574 3.6574 4.0745 4.0745 4.2351 4.2351 5.4348 5.4348 6.3627 6.3627 6.5917 6.5917 6.9195 6.9195 7.4082 7.4082 7.9698 7.9698 8.1231 8.1231 8.6756 8.6756 8.7528 8.7528 9.7035 9.7035 10.3500 10.3500 10.4402 10.4402 11.4482 11.4482 12.5401 12.5401 13.9069 13.9069 14.1969 14.1969 15.2252 15.2252 k = 0.2059-0.0000-0.0000 ( 2345 PWs) bands (ev): -8.8263 -8.8263 -7.7936 -7.7936 -7.2098 -7.2098 -6.9996 -6.9996 2.5070 2.5070 2.5523 2.5523 3.6804 3.6804 4.1059 4.1059 4.2720 4.2720 5.3448 5.3448 6.2974 6.2974 6.5485 6.5485 6.8872 6.8872 7.3833 7.3833 7.9843 7.9843 8.0914 8.0914 8.6694 8.6694 8.7613 8.7613 9.7025 9.7025 10.4062 10.4062 10.4979 10.4979 11.4560 11.4560 12.5616 12.5616 13.8549 13.8549 14.1417 14.1417 15.1569 15.1569 k = 0.2157-0.0000-0.0000 ( 2349 PWs) bands (ev): -8.7936 -8.7936 -7.7811 -7.7811 -7.2225 -7.2225 -7.0186 -7.0186 2.5417 2.5417 2.6044 2.6044 3.7041 3.7041 4.1380 4.1380 4.3105 4.3105 5.2563 5.2563 6.2250 6.2250 6.5045 6.5045 6.8594 6.8594 7.3631 7.3631 7.9977 7.9977 8.0566 8.0566 8.6620 8.6620 8.7713 8.7713 9.7017 9.7017 10.4614 10.4614 10.5541 10.5541 11.4593 11.4593 12.5854 12.5854 13.8037 13.8037 14.0875 14.0875 15.0863 15.0863 k = 0.2255-0.0000-0.0000 ( 2347 PWs) bands (ev): -8.7600 -8.7600 -7.7688 -7.7688 -7.2352 -7.2352 -7.0378 -7.0378 2.5769 2.5769 2.6581 2.6581 3.7286 3.7286 4.1709 4.1709 4.3507 4.3507 5.1696 5.1696 6.1491 6.1491 6.4579 6.4579 6.8345 6.8345 7.3480 7.3480 8.0023 8.0023 8.0266 8.0266 8.6539 8.6539 8.7825 8.7825 9.7011 9.7011 10.5154 10.5154 10.6085 10.6085 11.4585 11.4585 12.6113 12.6113 13.7537 13.7537 14.0346 14.0346 15.0139 15.0139 k = 0.2353-0.0000-0.0000 ( 2345 PWs) bands (ev): -8.7255 -8.7255 -7.7567 -7.7567 -7.2479 -7.2479 -7.0571 -7.0571 2.6125 2.6125 2.7131 2.7131 3.7537 3.7537 4.2041 4.2041 4.3926 4.3926 5.0851 5.0851 6.0716 6.0716 6.4084 6.4084 6.8108 6.8108 7.3385 7.3385 7.9686 7.9686 8.0308 8.0308 8.6450 8.6450 8.7944 8.7944 9.7005 9.7005 10.5679 10.5679 10.6610 10.6610 11.4538 11.4538 12.6388 12.6388 13.7051 13.7051 13.9833 13.9833 14.9400 14.9400 k = 0.2451-0.0000-0.0000 ( 2347 PWs) bands (ev): -8.6902 -8.6902 -7.7450 -7.7450 -7.2606 -7.2606 -7.0765 -7.0765 2.6485 2.6485 2.7693 2.7693 3.7795 3.7795 4.2374 4.2374 4.4359 4.4359 5.0034 5.0034 5.9938 5.9938 6.3565 6.3565 6.7868 6.7868 7.3345 7.3345 7.9232 7.9232 8.0425 8.0425 8.6355 8.6355 8.8070 8.8070 9.7003 9.7003 10.6185 10.6185 10.7116 10.7116 11.4457 11.4457 12.6675 12.6675 13.6581 13.6581 13.9337 13.9337 14.8649 14.8649 k = 0.2549-0.0000-0.0000 ( 2347 PWs) bands (ev): -8.6542 -8.6542 -7.7337 -7.7337 -7.2731 -7.2731 -7.0960 -7.0960 2.6846 2.6846 2.8265 2.8265 3.8060 3.8060 4.2705 4.2705 4.4808 4.4808 4.9251 4.9251 5.9164 5.9164 6.3031 6.3031 6.7614 6.7614 7.3359 7.3359 7.8739 7.8739 8.0542 8.0542 8.6255 8.6255 8.8198 8.8198 9.7003 9.7003 10.6669 10.6669 10.7603 10.7603 11.4349 11.4349 12.6968 12.6968 13.6128 13.6128 13.8860 13.8860 14.7891 14.7891 k = 0.2647-0.0000-0.0000 ( 2347 PWs) bands (ev): -8.6176 -8.6176 -7.7230 -7.7230 -7.2855 -7.2855 -7.1154 -7.1154 2.7209 2.7209 2.8842 2.8842 3.8330 3.8330 4.3025 4.3025 4.5269 4.5269 4.8512 4.8512 5.8399 5.8399 6.2489 6.2489 6.7342 6.7342 7.3421 7.3421 7.8215 7.8215 8.0650 8.0650 8.6151 8.6151 8.8325 8.8325 9.7007 9.7007 10.7125 10.7125 10.8071 10.8071 11.4221 11.4221 12.7262 12.7262 13.5695 13.5695 13.8405 13.8405 14.7129 14.7129 k = 0.2745-0.0000-0.0000 ( 2347 PWs) bands (ev): -8.5805 -8.5805 -7.7129 -7.7129 -7.2976 -7.2976 -7.1347 -7.1347 2.7570 2.7570 2.9423 2.9423 3.8606 3.8606 4.3325 4.3325 4.5736 4.5736 4.7835 4.7835 5.7649 5.7649 6.1946 6.1946 6.7048 6.7048 7.3526 7.3526 7.7664 7.7664 8.0747 8.0747 8.6045 8.6045 8.8448 8.8448 9.7016 9.7016 10.7545 10.7545 10.8521 10.8521 11.4081 11.4081 12.7555 12.7555 13.5283 13.5283 13.7973 13.7973 14.6366 14.6366 k = 0.2843-0.0000-0.0000 ( 2335 PWs) bands (ev): -8.5430 -8.5430 -7.7035 -7.7035 -7.3095 -7.3095 -7.1538 -7.1538 2.7929 2.7929 3.0005 3.0005 3.8888 3.8888 4.3587 4.3587 4.6180 4.6180 4.7268 4.7268 5.6916 5.6916 6.1407 6.1407 6.6736 6.6736 7.3667 7.3667 7.7088 7.7088 8.0832 8.0832 8.5937 8.5937 8.8563 8.8563 9.7034 9.7034 10.7919 10.7919 10.8955 10.8955 11.3937 11.3937 12.7841 12.7841 13.4894 13.4894 13.7566 13.7566 14.5607 14.5607 k = 0.2941-0.0000-0.0000 ( 2333 PWs) bands (ev): -8.5051 -8.5051 -7.6949 -7.6949 -7.3211 -7.3211 -7.1726 -7.1726 2.8284 2.8284 3.0582 3.0582 3.9174 3.9174 4.3776 4.3776 4.6393 4.6393 4.7056 4.7056 5.6204 5.6204 6.0875 6.0875 6.6406 6.6406 7.3837 7.3837 7.6488 7.6488 8.0903 8.0903 8.5830 8.5830 8.8667 8.8667 9.7061 9.7061 10.8236 10.8236 10.9377 10.9377 11.3800 11.3800 12.8118 12.8118 13.4529 13.4529 13.7184 13.7184 14.4854 14.4854 k = 0.3039-0.0000-0.0000 ( 2333 PWs) bands (ev): -8.4670 -8.4670 -7.6873 -7.6873 -7.3323 -7.3323 -7.1912 -7.1912 2.8634 2.8634 3.1150 3.1150 3.9465 3.9465 4.3839 4.3839 4.6206 4.6206 4.7421 4.7421 5.5515 5.5515 6.0357 6.0357 6.6062 6.6062 7.4030 7.4030 7.5869 7.5869 8.0960 8.0960 8.5723 8.5723 8.8755 8.8755 9.7100 9.7100 10.8485 10.8485 10.9788 10.9788 11.3682 11.3682 12.8382 12.8382 13.4188 13.4188 13.6827 13.6827 14.4112 14.4112 k = 0.3137-0.0000-0.0000 ( 2335 PWs) bands (ev): -8.4287 -8.4287 -7.6805 -7.6805 -7.3431 -7.3431 -7.2094 -7.2094 2.8976 2.8976 3.1704 3.1704 3.9760 3.9760 4.3731 4.3731 4.6101 4.6101 4.7926 4.7926 5.4853 5.4853 5.9855 5.9855 6.5706 6.5706 7.4241 7.4241 7.5230 7.5230 8.1001 8.1001 8.5618 8.5618 8.8825 8.8825 9.7154 9.7154 10.8653 10.8653 11.0190 11.0190 11.3593 11.3593 12.8631 12.8631 13.3872 13.3872 13.6498 13.6498 14.3382 14.3382 k = 0.3235-0.0000-0.0000 ( 2341 PWs) bands (ev): -8.3904 -8.3904 -7.6748 -7.6748 -7.3534 -7.3534 -7.2272 -7.2272 2.9309 2.9309 3.2236 3.2236 4.0057 4.0057 4.3479 4.3479 4.6162 4.6162 4.8461 4.8461 5.4221 5.4221 5.9374 5.9374 6.5341 6.5341 7.4453 7.4453 7.4588 7.4588 8.1027 8.1027 8.5517 8.5517 8.8871 8.8871 9.7227 9.7227 10.8734 10.8734 11.0583 11.0583 11.3543 11.3543 12.8863 12.8863 13.3581 13.3581 13.6197 13.6197 14.2669 14.2669 k = 0.3333-0.0000-0.0000 ( 2345 PWs) bands (ev): -8.3521 -8.3521 -7.6702 -7.6702 -7.3634 -7.3634 -7.2446 -7.2446 2.9633 2.9633 3.2740 3.2740 4.0357 4.0357 4.3162 4.3162 4.6329 4.6329 4.9007 4.9007 5.3625 5.3625 5.8917 5.8917 6.4967 6.4967 7.3898 7.3898 7.4707 7.4707 8.1036 8.1036 8.5422 8.5422 8.8891 8.8891 9.7320 9.7320 10.8726 10.8726 11.0964 11.0964 11.3535 11.3535 12.9079 12.9079 13.3316 13.3316 13.5922 13.5922 14.1975 14.1975 k = 0.3431-0.0000-0.0000 ( 2349 PWs) bands (ev): -8.3140 -8.3140 -7.6668 -7.6668 -7.3728 -7.3728 -7.2614 -7.2614 2.9945 2.9945 3.3204 3.3204 4.0654 4.0654 4.2848 4.2848 4.6544 4.6544 4.9550 4.9550 5.3075 5.3075 5.8489 5.8489 6.4588 6.4588 7.3214 7.3214 7.4950 7.4950 8.1028 8.1028 8.5332 8.5332 8.8883 8.8883 9.7437 9.7437 10.8633 10.8633 11.1333 11.1333 11.3569 11.3569 12.9276 12.9276 13.3076 13.3076 13.5675 13.5675 14.1303 14.1303 k = 0.3529-0.0000-0.0000 ( 2353 PWs) bands (ev): -8.2761 -8.2761 -7.6646 -7.6646 -7.3816 -7.3816 -7.2776 -7.2776 3.0244 3.0244 3.3620 3.3620 4.0945 4.0945 4.2582 4.2582 4.6772 4.6772 5.0065 5.0065 5.2595 5.2595 5.8095 5.8095 6.4204 6.4204 7.2516 7.2516 7.5199 7.5199 8.1004 8.1004 8.5251 8.5251 8.8845 8.8845 9.7579 9.7579 10.8464 10.8464 11.1687 11.1687 11.3639 11.3639 12.9455 12.9455 13.2860 13.2860 13.5456 13.5456 14.0656 14.0656 k = 0.3627-0.0000-0.0000 ( 2351 PWs) bands (ev): -8.2386 -8.2386 -7.6636 -7.6636 -7.3900 -7.3900 -7.2933 -7.2933 3.0531 3.0531 3.3976 3.3976 4.1216 4.1216 4.2402 4.2402 4.6992 4.6992 5.0476 5.0476 5.2260 5.2260 5.7741 5.7741 6.3816 6.3816 7.1808 7.1808 7.5452 7.5452 8.0964 8.0964 8.5180 8.5180 8.8776 8.8776 9.7747 9.7747 10.8230 10.8230 11.2026 11.2026 11.3735 11.3735 12.9616 12.9616 13.2666 13.2666 13.5262 13.5262 14.0036 14.0036 k = 0.3725-0.0000-0.0000 ( 2351 PWs) bands (ev): -8.2016 -8.2016 -7.6640 -7.6640 -7.3977 -7.3977 -7.3083 -7.3083 3.0804 3.0804 3.4261 3.4261 4.1447 4.1447 4.2345 4.2345 4.7189 4.7189 5.0615 5.0615 5.2237 5.2237 5.7433 5.7433 6.3426 6.3426 7.1090 7.1090 7.5706 7.5706 8.0907 8.0907 8.5120 8.5120 8.8676 8.8676 9.7943 9.7943 10.7944 10.7944 11.2347 11.2347 11.3849 11.3849 12.9762 12.9762 13.2494 13.2494 13.5094 13.5094 13.9445 13.9445 k = 0.3824-0.0000-0.0000 ( 2355 PWs) bands (ev): -8.1651 -8.1651 -7.6657 -7.6657 -7.4049 -7.4049 -7.3226 -7.3226 3.1063 3.1063 3.4468 3.4468 4.1621 4.1621 4.2439 4.2439 4.7349 4.7349 5.0430 5.0430 5.2575 5.2575 5.7178 5.7178 6.3035 6.3035 7.0364 7.0364 7.5962 7.5962 8.0834 8.0834 8.5072 8.5072 8.8548 8.8548 9.8166 9.8166 10.7614 10.7614 11.2650 11.2650 11.3972 11.3972 12.9894 12.9894 13.2341 13.2341 13.4951 13.4951 13.8885 13.8885 k = 0.3922-0.0000-0.0000 ( 2355 PWs) bands (ev): -8.1293 -8.1293 -7.6688 -7.6688 -7.4114 -7.4114 -7.3363 -7.3363 3.1307 3.1307 3.4596 3.4596 4.1766 4.1766 4.2655 4.2655 4.7463 4.7463 5.0104 5.0104 5.3092 5.3092 5.6982 5.6982 6.2644 6.2644 6.9632 6.9632 7.6218 7.6218 8.0744 8.0744 8.5040 8.5040 8.8392 8.8392 9.8415 9.8415 10.7252 10.7252 11.2934 11.2934 11.4097 11.4097 13.0013 13.0013 13.2204 13.2204 13.4831 13.4831 13.8358 13.8358 k = 0.4020-0.0000-0.0000 ( 2351 PWs) bands (ev): -8.0942 -8.0942 -7.6733 -7.6733 -7.4173 -7.4173 -7.3491 -7.3491 3.1538 3.1538 3.4648 3.4648 4.1932 4.1932 4.2939 4.2939 4.7522 4.7522 4.9749 4.9749 5.3670 5.3670 5.6855 5.6855 6.2255 6.2255 6.8895 6.8895 7.6473 7.6473 8.0640 8.0640 8.5023 8.5023 8.8212 8.8212 9.8690 9.8690 10.6864 10.6864 11.3198 11.3198 11.4219 11.4219 13.0123 13.0123 13.2082 13.2082 13.4733 13.4733 13.7864 13.7864 k = 0.4118-0.0000-0.0000 ( 2351 PWs) bands (ev): -8.0601 -8.0601 -7.6793 -7.6793 -7.4225 -7.4225 -7.3612 -7.3612 3.1756 3.1756 3.4635 3.4635 4.2143 4.2143 4.3256 4.3256 4.7517 4.7517 4.9402 4.9402 5.4267 5.4267 5.6802 5.6802 6.1870 6.1870 6.8153 6.8153 7.6727 7.6727 8.0520 8.0520 8.5024 8.5024 8.8011 8.8011 9.8990 9.8990 10.6456 10.6456 11.3442 11.3442 11.4333 11.4333 13.0226 13.0226 13.1971 13.1971 13.4656 13.4656 13.7406 13.7406 k = 0.4216-0.0000-0.0000 ( 2347 PWs) bands (ev): -8.0268 -8.0268 -7.6869 -7.6869 -7.4269 -7.4269 -7.3725 -7.3725 3.1961 3.1961 3.4570 3.4570 4.2398 4.2398 4.3590 4.3590 4.7446 4.7446 4.9075 4.9075 5.4857 5.4857 5.6835 5.6835 6.1493 6.1493 6.7409 6.7409 7.6980 7.6980 8.0387 8.0387 8.5044 8.5044 8.7794 8.7794 9.9311 9.9311 10.6033 10.6033 11.3665 11.3665 11.4437 11.4437 13.0324 13.0324 13.1868 13.1868 13.4600 13.4600 13.6984 13.6984 k = 0.4314-0.0000-0.0000 ( 2339 PWs) bands (ev): -7.9947 -7.9947 -7.6960 -7.6960 -7.4306 -7.4306 -7.3830 -7.3830 3.2156 3.2156 3.4465 3.4465 4.2689 4.2689 4.3931 4.3931 4.7312 4.7312 4.8770 4.8770 5.5414 5.5414 5.6968 5.6968 6.1129 6.1129 6.6664 6.6664 7.7231 7.7231 8.0239 8.0239 8.5085 8.5085 8.7565 8.7565 9.9653 9.9653 10.5598 10.5598 11.3867 11.3867 11.4528 11.4528 13.0419 13.0419 13.1771 13.1771 13.4563 13.4563 13.6598 13.6598 k = 0.4412-0.0000-0.0000 ( 2337 PWs) bands (ev): -7.9637 -7.9637 -7.7067 -7.7067 -7.4334 -7.4334 -7.3926 -7.3926 3.2341 3.2341 3.4332 3.4332 4.3006 4.3006 4.4274 4.4274 4.7126 4.7126 4.8481 4.8481 5.5904 5.5904 5.7214 5.7214 6.0788 6.0788 6.5920 6.5920 7.7479 7.7479 8.0079 8.0079 8.5146 8.5146 8.7328 8.7328 10.0014 10.0014 10.5156 10.5156 11.4048 11.4048 11.4604 11.4604 13.0514 13.0514 13.1677 13.1677 13.4546 13.4546 13.6249 13.6249 k = 0.4510-0.0000-0.0000 ( 2333 PWs) bands (ev): -7.9339 -7.9339 -7.7191 -7.7191 -7.4353 -7.4353 -7.4013 -7.4013 3.2519 3.2519 3.4182 3.4182 4.3339 4.3339 4.4609 4.4609 4.6907 4.6907 4.8201 4.8201 5.6312 5.6312 5.7563 5.7563 6.0493 6.0493 6.5177 6.5177 7.7725 7.7725 7.9906 7.9906 8.5229 8.5229 8.7087 8.7087 10.0391 10.0391 10.4708 10.4708 11.4208 11.4208 11.4664 11.4664 13.0609 13.0609 13.1584 13.1584 13.4548 13.4548 13.5937 13.5937 k = 0.4608-0.0000-0.0000 ( 2329 PWs) bands (ev): -7.9054 -7.9054 -7.7331 -7.7331 -7.4363 -7.4363 -7.4091 -7.4091 3.2691 3.2691 3.4021 3.4021 4.3679 4.3679 4.4921 4.4921 4.6679 4.6679 4.7919 4.7919 5.6655 5.6655 5.7939 5.7939 6.0291 6.0291 6.4440 6.4440 7.7967 7.7967 7.9722 7.9722 8.5334 8.5334 8.6846 8.6846 10.0784 10.0784 10.4258 10.4258 11.4346 11.4346 11.4706 11.4706 13.0705 13.0705 13.1491 13.1491 13.4571 13.4571 13.5661 13.5661 k = 0.4706-0.0000-0.0000 ( 2322 PWs) bands (ev): -7.8784 -7.8784 -7.7489 -7.7489 -7.4364 -7.4364 -7.4159 -7.4159 3.2859 3.2859 3.3855 3.3855 4.4020 4.4020 4.5174 4.5174 4.6486 4.6486 4.7632 4.7632 5.6968 5.6968 5.8206 5.8206 6.0277 6.0277 6.3709 6.3709 7.8206 7.8206 7.9529 7.9529 8.5461 8.5461 8.6610 8.6610 10.1190 10.1190 10.3807 10.3807 11.4463 11.4463 11.4730 11.4730 13.0802 13.0802 13.1396 13.1396 13.4615 13.4615 13.5419 13.5419 k = 0.4804-0.0000-0.0000 ( 2328 PWs) bands (ev): -7.8528 -7.8528 -7.7664 -7.7664 -7.4355 -7.4355 -7.4218 -7.4218 3.3024 3.3024 3.3688 3.3688 4.4355 4.4355 4.5288 4.5288 4.6413 4.6413 4.7339 4.7339 5.7271 5.7271 5.8248 5.8248 6.0536 6.0536 6.2991 6.2991 7.8441 7.8441 7.9326 7.9326 8.5608 8.5608 8.6382 8.6382 10.1607 10.1607 10.3357 10.3357 11.4559 11.4559 11.4736 11.4736 13.0901 13.0901 13.1300 13.1300 13.4682 13.4682 13.5212 13.5212 k = 0.4902-0.0000-0.0000 ( 2324 PWs) bands (ev): -7.8288 -7.8288 -7.7855 -7.7855 -7.4335 -7.4335 -7.4267 -7.4267 3.3189 3.3189 3.3520 3.3520 4.4676 4.4676 4.5198 4.5198 4.6527 4.6527 4.7045 4.7045 5.7569 5.7569 5.8098 5.8098 6.1020 6.1020 6.2292 6.2292 7.8671 7.8671 7.9115 7.9115 8.5776 8.5776 8.6165 8.6165 10.2034 10.2034 10.2910 10.2910 11.4634 11.4634 11.4722 11.4722 13.1002 13.1002 13.1201 13.1201 13.4773 13.4773 13.5036 13.5036 k = 0.5000-0.0000-0.0000 ( 2320 PWs) bands (ev): -7.8063 -7.8063 -7.8063 -7.8063 -7.4306 -7.4306 -7.4306 -7.4306 3.3354 3.3354 3.3354 3.3354 4.4969 4.4969 4.4969 4.4969 4.6763 4.6763 4.6763 4.6763 5.7853 5.7853 5.7853 5.7853 6.1625 6.1625 6.1625 6.1625 7.8896 7.8896 7.8896 7.8896 8.5962 8.5962 8.5962 8.5962 10.2469 10.2469 10.2469 10.2469 11.4688 11.4688 11.4688 11.4688 13.1102 13.1102 13.1102 13.1102 13.4891 13.4891 13.4891 13.4891 k = 0.5000-0.0000-0.0000 ( 2320 PWs) bands (ev): -7.8063 -7.8063 -7.8063 -7.8063 -7.4306 -7.4306 -7.4306 -7.4306 3.3354 3.3354 3.3354 3.3354 4.4969 4.4969 4.4969 4.4969 4.6763 4.6763 4.6763 4.6763 5.7853 5.7853 5.7853 5.7853 6.1625 6.1625 6.1625 6.1625 7.8896 7.8896 7.8896 7.8896 8.5962 8.5962 8.5962 8.5962 10.2469 10.2469 10.2469 10.2469 11.4688 11.4688 11.4688 11.4688 13.1102 13.1102 13.1102 13.1102 13.4891 13.4891 13.4891 13.4891 k = 0.5000 0.0097-0.0000 ( 2326 PWs) bands (ev): -7.8079 -7.8079 -7.8054 -7.8054 -7.4346 -7.4346 -7.4259 -7.4259 3.3273 3.3273 3.3429 3.3429 4.4706 4.4706 4.5187 4.5187 4.6651 4.6651 4.6902 4.6902 5.7691 5.7691 5.8031 5.8031 6.1543 6.1543 6.1763 6.1763 7.8842 7.8842 7.8921 7.8921 8.5912 8.5912 8.6013 8.6013 10.2404 10.2404 10.2517 10.2517 11.4527 11.4527 11.4822 11.4822 13.0665 13.0665 13.1389 13.1389 13.4520 13.4520 13.5444 13.5444 k = 0.5000 0.0194-0.0000 ( 2326 PWs) bands (ev): -7.8101 -7.8101 -7.8052 -7.8052 -7.4378 -7.4378 -7.4204 -7.4204 3.3185 3.3185 3.3497 3.3497 4.4420 4.4420 4.5328 4.5328 4.6601 4.6601 4.7048 4.7048 5.7549 5.7549 5.8220 5.8220 6.1520 6.1520 6.1952 6.1952 7.8759 7.8759 7.8917 7.8917 8.5862 8.5862 8.6063 8.6063 10.2323 10.2323 10.2548 10.2548 11.4341 11.4341 11.4928 11.4928 13.0162 13.0162 13.1412 13.1412 13.4449 13.4449 13.6095 13.6095 k = 0.5000 0.0291-0.0000 ( 2322 PWs) bands (ev): -7.8128 -7.8128 -7.8058 -7.8058 -7.4402 -7.4402 -7.4142 -7.4142 3.3091 3.3091 3.3557 3.3557 4.4119 4.4119 4.5352 4.5352 4.6652 4.6652 4.7194 4.7194 5.7430 5.7430 5.8415 5.8415 6.1561 6.1561 6.2188 6.2188 7.8648 7.8648 7.8883 7.8883 8.5814 8.5814 8.6113 8.6113 10.2226 10.2226 10.2561 10.2561 11.4131 11.4131 11.5006 11.5006 12.9638 12.9638 13.1148 13.1148 13.4700 13.4700 13.6800 13.6800 k = 0.5000 0.0389-0.0000 ( 2326 PWs) bands (ev): -7.8162 -7.8162 -7.8070 -7.8070 -7.4418 -7.4418 -7.4075 -7.4075 3.2991 3.2991 3.3609 3.3609 4.3811 4.3811 4.5263 4.5263 4.6802 4.6802 4.7335 4.7335 5.7334 5.7334 5.8610 5.8610 6.1668 6.1668 6.2467 6.2467 7.8512 7.8512 7.8818 7.8818 8.5767 8.5767 8.6161 8.6161 10.2112 10.2112 10.2556 10.2556 11.3900 11.3900 11.5054 11.5054 12.9110 12.9110 13.0703 13.0703 13.5167 13.5167 13.7538 13.7538 k = 0.5000 0.0486-0.0000 ( 2330 PWs) bands (ev): -7.8199 -7.8199 -7.8090 -7.8090 -7.4426 -7.4426 -7.4002 -7.4002 3.2886 3.2886 3.3652 3.3652 4.3499 4.3499 4.5098 4.5098 4.7017 4.7017 4.7471 4.7471 5.7262 5.7262 5.8802 5.8802 6.1842 6.1842 6.2787 6.2787 7.8351 7.8351 7.8724 7.8724 8.5721 8.5721 8.6208 8.6208 10.1982 10.1982 10.2531 10.2531 11.3650 11.3650 11.5073 11.5073 12.8590 12.8590 13.0177 13.0177 13.5751 13.5751 13.8296 13.8296 k = 0.5000 0.0583-0.0000 ( 2326 PWs) bands (ev): -7.8241 -7.8241 -7.8116 -7.8116 -7.4425 -7.4425 -7.3925 -7.3925 3.2777 3.2777 3.3686 3.3686 4.3186 4.3186 4.4888 4.4888 4.7267 4.7267 4.7601 4.7601 5.7214 5.7214 5.8987 5.8987 6.2083 6.2083 6.3144 6.3144 7.8167 7.8167 7.8602 7.8602 8.5678 8.5678 8.6253 8.6253 10.1835 10.1835 10.2485 10.2485 11.3383 11.3383 11.5062 11.5062 12.8084 12.8084 12.9623 12.9623 13.6398 13.6398 13.9068 13.9068 k = 0.5000 0.0680-0.0000 ( 2322 PWs) bands (ev): -7.8287 -7.8287 -7.8149 -7.8149 -7.4418 -7.4418 -7.3844 -7.3844 3.2662 3.2662 3.3710 3.3710 4.2875 4.2875 4.4653 4.4653 4.7536 4.7536 4.7728 4.7728 5.7189 5.7189 5.9165 5.9165 6.2386 6.2386 6.3533 6.3533 7.7963 7.7963 7.8452 7.8452 8.5637 8.5637 8.6297 8.6297 10.1672 10.1672 10.2418 10.2418 11.3102 11.3102 11.5022 11.5022 12.7594 12.7594 12.9067 12.9067 13.7083 13.7083 13.9847 13.9847 k = 0.5000 0.0777-0.0000 ( 2322 PWs) bands (ev): -7.8335 -7.8335 -7.8187 -7.8187 -7.4403 -7.4403 -7.3759 -7.3759 3.2543 3.2543 3.3723 3.3723 4.2568 4.2568 4.4404 4.4404 4.7817 4.7817 4.7851 4.7851 5.7184 5.7184 5.9338 5.9338 6.2744 6.2744 6.3951 6.3951 7.7740 7.7740 7.8276 7.8276 8.5598 8.5598 8.6338 8.6338 10.1490 10.1490 10.2326 10.2326 11.2811 11.2811 11.4953 11.4953 12.7121 12.7121 12.8523 12.8523 13.7792 13.7792 14.0631 14.0631 k = 0.5000 0.0874-0.0000 ( 2322 PWs) bands (ev): -7.8386 -7.8386 -7.8231 -7.8231 -7.4382 -7.4382 -7.3672 -7.3672 3.2420 3.2420 3.3725 3.3725 4.2267 4.2267 4.4145 4.4145 4.7975 4.7975 4.8107 4.8107 5.7199 5.7199 5.9508 5.9508 6.3149 6.3149 6.4395 6.4395 7.7500 7.7500 7.8076 7.8076 8.5561 8.5561 8.6378 8.6378 10.1291 10.1291 10.2210 10.2210 11.2513 11.2513 11.4856 11.4856 12.6667 12.6667 12.7998 12.7998 13.8515 13.8515 14.1415 14.1415 k = 0.5000 0.0971-0.0000 ( 2320 PWs) bands (ev): -7.8439 -7.8439 -7.8279 -7.8279 -7.4355 -7.4355 -7.3583 -7.3583 3.2294 3.2294 3.3716 3.3716 4.1974 4.1974 4.3883 4.3883 4.8100 4.8100 4.8404 4.8404 5.7230 5.7230 5.9678 5.9678 6.3594 6.3594 6.4860 6.4860 7.7247 7.7247 7.7855 7.7855 8.5525 8.5525 8.6416 8.6416 10.1074 10.1074 10.2068 10.2068 11.2212 11.2212 11.4732 11.4732 12.6233 12.6233 12.7497 12.7497 13.9247 13.9247 14.2197 14.2197 k = 0.5000 0.1069-0.0000 ( 2324 PWs) bands (ev): -7.8493 -7.8493 -7.8331 -7.8331 -7.4324 -7.4324 -7.3492 -7.3492 3.2164 3.2164 3.3694 3.3694 4.1691 4.1691 4.3618 4.3618 4.8230 4.8230 4.8709 4.8709 5.7276 5.7276 5.9848 5.9848 6.4071 6.4071 6.5342 6.5342 7.6984 7.6984 7.7615 7.7615 8.5492 8.5492 8.6453 8.6453 10.0837 10.0837 10.1897 10.1897 11.1910 11.1910 11.4583 11.4583 12.5818 12.5818 12.7023 12.7023 13.9983 13.9983 14.2974 14.2974 k = 0.5000 0.1166-0.0000 ( 2320 PWs) bands (ev): -7.8548 -7.8548 -7.8386 -7.8386 -7.4288 -7.4288 -7.3401 -7.3401 3.2031 3.2031 3.3660 3.3660 4.1420 4.1420 4.3355 4.3355 4.8366 4.8366 4.9022 4.9022 5.7334 5.7334 6.0019 6.0019 6.4572 6.4572 6.5836 6.5836 7.6715 7.6715 7.7361 7.7361 8.5461 8.5461 8.6488 8.6488 10.0581 10.0581 10.1698 10.1698 11.1611 11.1611 11.4411 11.4411 12.5421 12.5421 12.6576 12.6576 14.0721 14.0721 14.3743 14.3743 k = 0.5000 0.1263-0.0000 ( 2324 PWs) bands (ev): -7.8603 -7.8603 -7.8444 -7.8444 -7.4248 -7.4248 -7.3310 -7.3310 3.1896 3.1896 3.3613 3.3613 4.1161 4.1161 4.3095 4.3095 4.8509 4.8509 4.9344 4.9344 5.7401 5.7401 6.0192 6.0192 6.5090 6.5090 6.6336 6.6336 7.6444 7.6444 7.7096 7.7096 8.5430 8.5430 8.6523 8.6523 10.0304 10.0304 10.1468 10.1468 11.1318 11.1318 11.4218 11.4218 12.5044 12.5044 12.6160 12.6160 14.1455 14.1455 14.4503 14.4503 k = 0.5000 0.1360-0.0000 ( 2320 PWs) bands (ev): -7.8658 -7.8658 -7.8503 -7.8503 -7.4206 -7.4206 -7.3219 -7.3219 3.1759 3.1759 3.3555 3.3555 4.0915 4.0915 4.2840 4.2840 4.8663 4.8663 4.9674 4.9674 5.7475 5.7475 6.0365 6.0365 6.5617 6.5617 6.6838 6.6838 7.6177 7.6177 7.6827 7.6827 8.5402 8.5402 8.6557 8.6557 10.0008 10.0008 10.1208 10.1208 11.1035 11.1035 11.4007 11.4007 12.4684 12.4684 12.5772 12.5772 14.2184 14.2184 14.5251 14.5251 k = 0.5000 0.1457-0.0000 ( 2316 PWs) bands (ev): -7.8713 -7.8713 -7.8564 -7.8564 -7.4161 -7.4161 -7.3128 -7.3128 3.1621 3.1621 3.3485 3.3485 4.0684 4.0684 4.2592 4.2592 4.8828 4.8828 5.0015 5.0015 5.7552 5.7552 6.0537 6.0537 6.6146 6.6146 6.7332 6.7332 7.5920 7.5920 7.6558 7.6558 8.5375 8.5375 8.6592 8.6592 9.9691 9.9691 10.0917 10.0917 11.0762 11.0762 11.3780 11.3780 12.4343 12.4343 12.5414 12.5414 14.2905 14.2905 14.5985 14.5985 k = 0.5000 0.1554-0.0000 ( 2318 PWs) bands (ev): -7.8768 -7.8768 -7.8625 -7.8625 -7.4115 -7.4115 -7.3039 -7.3039 3.1483 3.1483 3.3404 3.3404 4.0467 4.0467 4.2350 4.2350 4.9006 4.9006 5.0365 5.0365 5.7630 5.7630 6.0706 6.0706 6.6667 6.6667 6.7812 6.7812 7.5682 7.5682 7.6299 7.6299 8.5349 8.5349 8.6628 8.6628 9.9354 9.9354 10.0595 10.0595 11.0502 11.0502 11.3541 11.3541 12.4018 12.4018 12.5084 12.5084 14.3614 14.3614 14.6702 14.6702 k = 0.5000 0.1651-0.0000 ( 2324 PWs) bands (ev): -7.8821 -7.8821 -7.8686 -7.8686 -7.4067 -7.4067 -7.2952 -7.2952 3.1344 3.1344 3.3313 3.3313 4.0266 4.0266 4.2117 4.2117 4.9197 4.9197 5.0726 5.0726 5.7706 5.7706 6.0871 6.0871 6.7171 6.7171 6.8265 6.8265 7.5473 7.5473 7.6059 7.6059 8.5324 8.5324 8.6665 8.6665 9.8996 9.8996 10.0244 10.0244 11.0257 11.0257 11.3293 11.3293 12.3711 12.3711 12.4781 12.4781 14.4309 14.4309 14.7401 14.7401 k = 0.5000 0.1748-0.0000 ( 2332 PWs) bands (ev): -7.8873 -7.8873 -7.8747 -7.8747 -7.4020 -7.4020 -7.2867 -7.2867 3.1207 3.1207 3.3213 3.3213 4.0079 4.0079 4.1894 4.1894 4.9402 4.9402 5.1098 5.1098 5.7777 5.7777 6.1029 6.1029 6.7644 6.7644 6.8681 6.8681 7.5304 7.5304 7.5850 7.5850 8.5301 8.5301 8.6706 8.6706 9.8618 9.8618 9.9863 9.9863 11.0026 11.0026 11.3039 11.3039 12.3420 12.3420 12.4504 12.4504 14.4987 14.4987 14.8080 14.8080 k = 0.5000 0.1846-0.0000 ( 2340 PWs) bands (ev): -7.8924 -7.8924 -7.8806 -7.8806 -7.3972 -7.3972 -7.2784 -7.2784 3.1071 3.1071 3.3106 3.3106 3.9907 3.9907 4.1681 4.1681 4.9622 4.9622 5.1482 5.1482 5.7841 5.7841 6.1176 6.1176 6.8073 6.8073 6.9045 6.9045 7.5191 7.5191 7.5686 7.5686 8.5280 8.5280 8.6751 8.6751 9.8222 9.8222 9.9456 9.9456 10.9811 10.9811 11.2783 11.2783 12.3146 12.3146 12.4252 12.4252 14.5646 14.5646 14.8735 14.8735 k = 0.5000 0.1943-0.0000 ( 2344 PWs) bands (ev): -7.8973 -7.8973 -7.8865 -7.8865 -7.3924 -7.3924 -7.2705 -7.2705 3.0938 3.0938 3.2994 3.2994 3.9749 3.9749 4.1478 4.1478 4.9856 4.9856 5.1876 5.1876 5.7894 5.7894 6.1311 6.1311 6.8444 6.8444 6.9342 6.9342 7.5145 7.5145 7.5582 7.5582 8.5261 8.5261 8.6802 8.6802 9.7807 9.7807 9.9023 9.9023 10.9611 10.9611 11.2527 11.2527 12.2888 12.2888 12.4022 12.4022 14.6283 14.6283 14.9366 14.9366 k = 0.5000 0.2040-0.0000 ( 2344 PWs) bands (ev): -7.9020 -7.9020 -7.8921 -7.8921 -7.3878 -7.3878 -7.2628 -7.2628 3.0808 3.0808 3.2878 3.2878 3.9604 3.9604 4.1287 4.1287 5.0104 5.0104 5.2281 5.2281 5.7934 5.7934 6.1428 6.1428 6.8741 6.8741 6.9562 6.9562 7.5179 7.5179 7.5554 7.5554 8.5244 8.5244 8.6860 8.6860 9.7375 9.7375 9.8569 9.8569 10.9426 10.9426 11.2274 11.2274 12.2646 12.2646 12.3813 12.3813 14.6897 14.6897 14.9971 14.9971 k = 0.5000 0.2137-0.0000 ( 2344 PWs) bands (ev): -7.9064 -7.9064 -7.8975 -7.8975 -7.3833 -7.3833 -7.2555 -7.2555 3.0682 3.0682 3.2759 3.2759 3.9472 3.9472 4.1107 4.1107 5.0366 5.0366 5.2697 5.2697 5.7959 5.7959 6.1526 6.1526 6.8953 6.8953 6.9701 6.9701 7.5296 7.5296 7.5613 7.5613 8.5230 8.5230 8.6926 8.6926 9.6929 9.6929 9.8094 9.8094 10.9255 10.9255 11.2028 11.2028 12.2420 12.2420 12.3625 12.3625 14.7483 14.7483 15.0546 15.0546 k = 0.5000 0.2234-0.0000 ( 2344 PWs) bands (ev): -7.9107 -7.9107 -7.9027 -7.9027 -7.3789 -7.3789 -7.2485 -7.2485 3.0561 3.0561 3.2641 3.2641 3.9352 3.9352 4.0938 4.0938 5.0640 5.0640 5.3123 5.3123 5.7966 5.7966 6.1598 6.1598 6.9078 6.9078 6.9762 6.9762 7.5491 7.5491 7.5763 7.5763 8.5220 8.5220 8.7003 8.7003 9.6469 9.6469 9.7602 9.7602 10.9098 10.9098 11.1789 11.1789 12.2210 12.2210 12.3455 12.3455 14.8041 14.8041 15.1092 15.1092 k = 0.5000 0.2331-0.0000 ( 2340 PWs) bands (ev): -7.9146 -7.9146 -7.9076 -7.9076 -7.3747 -7.3747 -7.2420 -7.2420 3.0446 3.0446 3.2524 3.2524 3.9243 3.9243 4.0782 4.0782 5.0926 5.0926 5.3559 5.3559 5.7953 5.7953 6.1642 6.1642 6.9122 6.9122 6.9757 6.9757 7.5751 7.5751 7.5999 7.5999 8.5214 8.5214 8.7093 8.7093 9.6000 9.6000 9.7097 9.7097 10.8955 10.8955 11.1562 11.1562 12.2016 12.2016 12.3302 12.3302 14.8568 14.8568 15.1605 15.1605 k = 0.5000 0.2428-0.0000 ( 2328 PWs) bands (ev): -7.9183 -7.9183 -7.9121 -7.9121 -7.3708 -7.3708 -7.2359 -7.2359 3.0337 3.0337 3.2410 3.2410 3.9145 3.9145 4.0638 4.0638 5.1222 5.1222 5.4003 5.4003 5.7919 5.7919 6.1653 6.1653 6.9099 6.9099 6.9703 6.9703 7.6058 7.6058 7.6306 7.6306 8.5213 8.5213 8.7198 8.7198 9.5523 9.5523 9.6581 9.6581 10.8824 10.8824 11.1346 11.1346 12.1837 12.1837 12.3165 12.3165 14.9062 14.9062 15.2084 15.2084 k = 0.5000 0.2526-0.0000 ( 2330 PWs) bands (ev): -7.9217 -7.9217 -7.9164 -7.9164 -7.3671 -7.3671 -7.2303 -7.2303 3.0235 3.0235 3.2301 3.2301 3.9057 3.9057 4.0507 4.0507 5.1526 5.1526 5.4455 5.4455 5.7861 5.7861 6.1627 6.1627 6.9027 6.9027 6.9615 6.9615 7.6394 7.6394 7.6667 7.6667 8.5218 8.5218 8.7320 8.7320 9.5044 9.5044 9.6057 9.6057 10.8706 10.8706 11.1145 11.1145 12.1674 12.1674 12.3043 12.3043 14.9520 14.9520 15.2528 15.2528 k = 0.5000 0.2623-0.0000 ( 2330 PWs) bands (ev): -7.9249 -7.9249 -7.9203 -7.9203 -7.3637 -7.3637 -7.2251 -7.2251 3.0140 3.0140 3.2198 3.2198 3.8979 3.8979 4.0387 4.0387 5.1836 5.1836 5.4914 5.4914 5.7781 5.7781 6.1561 6.1561 6.8924 6.8924 6.9509 6.9509 7.6742 7.6742 7.7062 7.7062 8.5230 8.5230 8.7462 8.7462 9.4566 9.4566 9.5530 9.5530 10.8600 10.8600 11.0959 11.0959 12.1527 12.1527 12.2935 12.2935 14.9941 14.9941 15.2934 15.2934 k = 0.5000 0.2720-0.0000 ( 2330 PWs) bands (ev): -7.9277 -7.9277 -7.9239 -7.9239 -7.3606 -7.3606 -7.2204 -7.2204 3.0054 3.0054 3.2103 3.2103 3.8911 3.8911 4.0281 4.0281 5.2149 5.2149 5.5378 5.5378 5.7678 5.7678 6.1451 6.1451 6.8806 6.8806 6.9394 6.9394 7.7086 7.7086 7.7472 7.7472 8.5250 8.5250 8.7624 8.7624 9.4096 9.4096 9.5003 9.5003 10.8505 10.8505 11.0790 11.0790 12.1395 12.1395 12.2841 12.2841 15.0323 15.0323 15.3302 15.3302 k = 0.5000 0.2817-0.0000 ( 2330 PWs) bands (ev): -7.9302 -7.9302 -7.9270 -7.9270 -7.3578 -7.3578 -7.2163 -7.2163 2.9976 2.9976 3.2016 3.2016 3.8851 3.8851 4.0187 4.0187 5.2460 5.2460 5.5845 5.5845 5.7554 5.7554 6.1296 6.1296 6.8687 6.8687 6.9280 6.9280 7.7416 7.7416 7.7880 7.7880 8.5278 8.5278 8.7808 8.7808 9.3641 9.3641 9.4482 9.4482 10.8421 10.8421 11.0639 11.0639 12.1279 12.1279 12.2759 12.2759 15.0664 15.0664 15.3630 15.3630 k = 0.5000 0.2914-0.0000 ( 2330 PWs) bands (ev): -7.9324 -7.9324 -7.9298 -7.9298 -7.3554 -7.3554 -7.2126 -7.2126 2.9908 2.9908 3.1939 3.1939 3.8799 3.8799 4.0105 4.0105 5.2766 5.2766 5.6314 5.6314 5.7413 5.7413 6.1097 6.1097 6.8574 6.8574 6.9173 6.9173 7.7720 7.7720 7.8270 7.8270 8.5314 8.5314 8.8014 8.8014 9.3208 9.3208 9.3972 9.3972 10.8349 10.8349 11.0506 11.0506 12.1179 12.1179 12.2689 12.2689 15.0963 15.0963 15.3916 15.3916 k = 0.5000 0.3011-0.0000 ( 2326 PWs) bands (ev): -7.9343 -7.9343 -7.9322 -7.9322 -7.3533 -7.3533 -7.2095 -7.2095 2.9850 2.9850 3.1872 3.1872 3.8756 3.8756 4.0036 4.0036 5.3059 5.3059 5.6783 5.6783 5.7260 5.7260 6.0854 6.0854 6.8475 6.8475 6.9077 6.9077 7.7990 7.7990 7.8628 7.8628 8.5356 8.5356 8.8238 8.8238 9.2809 9.2809 9.3482 9.3482 10.8287 10.8287 11.0392 11.0392 12.1094 12.1094 12.2631 12.2631 15.1218 15.1218 15.4161 15.4161 k = 0.5000 0.3108-0.0000 ( 2322 PWs) bands (ev): -7.9358 -7.9358 -7.9341 -7.9341 -7.3516 -7.3516 -7.2070 -7.2070 2.9801 2.9801 3.1816 3.1816 3.8721 3.8721 3.9979 3.9979 5.3332 5.3332 5.7103 5.7103 5.7247 5.7247 6.0572 6.0572 6.8392 6.8392 6.8996 6.8996 7.8219 7.8219 7.8941 7.8941 8.5403 8.5403 8.8475 8.8475 9.2454 9.2454 9.3021 9.3021 10.8237 10.8237 11.0298 11.0298 12.1025 12.1025 12.2584 12.2584 15.1429 15.1429 15.4362 15.4362 k = 0.5000 0.3206-0.0000 ( 2330 PWs) bands (ev): -7.9370 -7.9370 -7.9356 -7.9356 -7.3502 -7.3502 -7.2050 -7.2050 2.9763 2.9763 3.1772 3.1772 3.8694 3.8694 3.9935 3.9935 5.3573 5.3573 5.6952 5.6952 5.7704 5.7704 6.0254 6.0254 6.8327 6.8327 6.8931 6.8931 7.8403 7.8403 7.9198 7.9198 8.5450 8.5450 8.8712 8.8712 9.2156 9.2156 9.2606 9.2606 10.8198 10.8198 11.0225 11.0225 12.0971 12.0971 12.2547 12.2547 15.1593 15.1593 15.4519 15.4519 k = 0.5000 0.3303-0.0000 ( 2326 PWs) bands (ev): -7.9379 -7.9379 -7.9367 -7.9367 -7.3493 -7.3493 -7.2035 -7.2035 2.9736 2.9736 3.1740 3.1740 3.8675 3.8675 3.9904 3.9904 5.3766 5.3766 5.6823 5.6823 5.8146 5.8146 5.9911 5.9911 6.8281 6.8281 6.8885 6.8885 7.8537 7.8537 7.9389 7.9389 8.5491 8.5491 8.8927 8.8927 9.1930 9.1930 9.2262 9.2262 10.8170 10.8170 11.0172 11.0172 12.0932 12.0932 12.2522 12.2522 15.1711 15.1711 15.4632 15.4632 k = 0.5000 0.3400-0.0000 ( 2336 PWs) bands (ev): -7.9384 -7.9384 -7.9374 -7.9374 -7.3487 -7.3487 -7.2027 -7.2027 2.9719 2.9719 3.1721 3.1721 3.8663 3.8663 3.9885 3.9885 5.3893 5.3893 5.6735 5.6735 5.8552 5.8552 5.9564 5.9564 6.8254 6.8254 6.8856 6.8856 7.8618 7.8618 7.9506 7.9506 8.5519 8.5519 8.9085 8.9085 9.1789 9.1789 9.2026 9.2026 10.8153 10.8153 11.0140 11.0140 12.0909 12.0909 12.2506 12.2506 15.1782 15.1782 15.4699 15.4699 k = 0.5000 0.3497-0.0000 ( 2332 PWs) bands (ev): -7.9386 -7.9386 -7.9376 -7.9376 -7.3485 -7.3485 -7.2024 -7.2024 2.9714 2.9714 3.1715 3.1715 3.8659 3.8659 3.9879 3.9879 5.3937 5.3937 5.6703 5.6703 5.8786 5.8786 5.9349 5.9349 6.8245 6.8245 6.8847 6.8847 7.8645 7.8645 7.9546 7.9546 8.5529 8.5529 8.9144 8.9144 9.1740 9.1740 9.1941 9.1941 10.8148 10.8148 11.0130 11.0130 12.0901 12.0901 12.2501 12.2501 15.1806 15.1806 15.4722 15.4722 k = 0.5000 0.3497-0.0000 ( 2332 PWs) bands (ev): -7.9386 -7.9386 -7.9376 -7.9376 -7.3485 -7.3485 -7.2024 -7.2024 2.9714 2.9714 3.1715 3.1715 3.8659 3.8659 3.9879 3.9879 5.3937 5.3937 5.6703 5.6703 5.8786 5.8786 5.9349 5.9349 6.8245 6.8245 6.8847 6.8847 7.8645 7.8645 7.9546 7.9546 8.5529 8.5529 8.9144 8.9144 9.1740 9.1740 9.1941 9.1941 10.8148 10.8148 11.0130 11.0130 12.0901 12.0901 12.2501 12.2501 15.1806 15.1806 15.4722 15.4722 k = 0.4902 0.3497-0.0000 ( 2332 PWs) bands (ev): -7.9384 -7.9384 -7.9375 -7.9375 -7.3491 -7.3491 -7.2031 -7.2031 2.9728 2.9728 3.1730 3.1730 3.8658 3.8658 3.9878 3.9878 5.3899 5.3899 5.6653 5.6653 5.8791 5.8791 5.9362 5.9362 6.8227 6.8227 6.8840 6.8840 7.8658 7.8658 7.9539 7.9539 8.5544 8.5544 8.9144 8.9144 9.1780 9.1780 9.1975 9.1975 10.8155 10.8155 11.0137 11.0137 12.0901 12.0901 12.2497 12.2497 15.1797 15.1797 15.4712 15.4712 k = 0.4804 0.3497-0.0000 ( 2328 PWs) bands (ev): -7.9380 -7.9380 -7.9370 -7.9370 -7.3510 -7.3510 -7.2052 -7.2052 2.9770 2.9770 3.1776 3.1776 3.8655 3.8655 3.9877 3.9877 5.3785 5.3785 5.6506 5.6506 5.8808 5.8808 5.9399 5.9399 6.8174 6.8174 6.8817 6.8817 7.8696 7.8696 7.9519 7.9519 8.5592 8.5592 8.9147 8.9147 9.1897 9.1897 9.2076 9.2076 10.8176 10.8176 11.0161 11.0161 12.0900 12.0900 12.2485 12.2485 15.1769 15.1769 15.4682 15.4682 k = 0.4706 0.3497-0.0000 ( 2332 PWs) bands (ev): -7.9372 -7.9372 -7.9363 -7.9363 -7.3542 -7.3542 -7.2088 -7.2088 2.9839 2.9839 3.1852 3.1852 3.8651 3.8651 3.9875 3.9875 5.3598 5.3598 5.6272 5.6272 5.8832 5.8832 5.9449 5.9449 6.8089 6.8089 6.8781 6.8781 7.8755 7.8755 7.9483 7.9483 8.5675 8.5675 8.9160 8.9160 9.2082 9.2082 9.2240 9.2240 10.8209 10.8209 11.0199 11.0199 12.0899 12.0899 12.2466 12.2466 15.1724 15.1724 15.4631 15.4631 k = 0.4608 0.3497-0.0000 ( 2332 PWs) bands (ev): -7.9361 -7.9361 -7.9353 -7.9353 -7.3585 -7.3585 -7.2137 -7.2137 2.9936 2.9936 3.1957 3.1957 3.8646 3.8646 3.9874 3.9874 5.3344 5.3344 5.5964 5.5964 5.8862 5.8862 5.9503 5.9503 6.7977 6.7977 6.8730 6.8730 7.8829 7.8829 7.9430 7.9430 8.5799 8.5799 8.9193 8.9193 9.2327 9.2327 9.2461 9.2461 10.8255 10.8255 11.0251 11.0251 12.0900 12.0900 12.2441 12.2441 15.1661 15.1661 15.4561 15.4561 k = 0.4510 0.3497-0.0000 ( 2332 PWs) bands (ev): -7.9349 -7.9349 -7.9341 -7.9341 -7.3640 -7.3640 -7.2199 -7.2199 3.0057 3.0057 3.2089 3.2089 3.8643 3.8643 3.9875 3.9875 5.3030 5.3030 5.5591 5.5591 5.8893 5.8893 5.9553 5.9553 6.7842 6.7842 6.8664 6.8664 7.8911 7.8911 7.9359 7.9359 8.5967 8.5967 8.9254 8.9254 9.2623 9.2623 9.2734 9.2734 10.8310 10.8310 11.0315 11.0315 12.0905 12.0905 12.2412 12.2412 15.1580 15.1580 15.4471 15.4471 k = 0.4412 0.3497-0.0000 ( 2336 PWs) bands (ev): -7.9334 -7.9334 -7.9327 -7.9327 -7.3706 -7.3706 -7.2273 -7.2273 3.0202 3.0202 3.2247 3.2247 3.8643 3.8643 3.9879 3.9879 5.2660 5.2660 5.5162 5.5162 5.8923 5.8923 5.9592 5.9592 6.7690 6.7690 6.8585 6.8585 7.8995 7.8995 7.9268 7.9268 8.6184 8.6184 8.9350 8.9350 9.2959 9.2959 9.3050 9.3050 10.8372 10.8372 11.0391 11.0391 12.0915 12.0915 12.2380 12.2380 15.1483 15.1483 15.4362 15.4362 k = 0.4314 0.3497-0.0000 ( 2336 PWs) bands (ev): -7.9318 -7.9318 -7.9312 -7.9312 -7.3781 -7.3781 -7.2359 -7.2359 3.0368 3.0368 3.2427 3.2427 3.8648 3.8648 3.9889 3.9889 5.2243 5.2243 5.4685 5.4685 5.8950 5.8950 5.9616 5.9616 6.7525 6.7525 6.8491 6.8491 7.9075 7.9075 7.9162 7.9162 8.6448 8.6448 8.9486 8.9486 9.3331 9.3331 9.3404 9.3404 10.8440 10.8440 11.0475 11.0475 12.0934 12.0934 12.2348 12.2348 15.1369 15.1369 15.4235 15.4235 k = 0.4216 0.3497-0.0000 ( 2336 PWs) bands (ev): -7.9302 -7.9302 -7.9296 -7.9296 -7.3864 -7.3864 -7.2455 -7.2455 3.0553 3.0553 3.2626 3.2626 3.8663 3.8663 3.9908 3.9908 5.1783 5.1783 5.4166 5.4166 5.8971 5.8971 5.9623 5.9623 6.7351 6.7351 6.8381 6.8381 7.9043 7.9043 7.9147 7.9147 8.6759 8.6759 8.9664 8.9664 9.3731 9.3731 9.3788 9.3788 10.8508 10.8508 11.0565 11.0565 12.0966 12.0966 12.2320 12.2320 15.1241 15.1241 15.4090 15.4090 k = 0.4118 0.3497-0.0000 ( 2336 PWs) bands (ev): -7.9287 -7.9287 -7.9280 -7.9280 -7.3955 -7.3955 -7.2560 -7.2560 3.0753 3.0753 3.2840 3.2840 3.8691 3.8691 3.9937 3.9937 5.1286 5.1286 5.3609 5.3609 5.8985 5.8985 5.9611 5.9611 6.7172 6.7172 6.8255 6.8255 7.8918 7.8918 7.9210 7.9210 8.7111 8.7111 8.9882 8.9882 9.4154 9.4154 9.4197 9.4197 10.8575 10.8575 11.0657 11.0657 12.1014 12.1014 12.2298 12.2298 15.1098 15.1098 15.3928 15.3928 k = 0.4020 0.3497-0.0000 ( 2336 PWs) bands (ev): -7.9273 -7.9273 -7.9266 -7.9266 -7.4051 -7.4051 -7.2673 -7.2673 3.0966 3.0966 3.3065 3.3065 3.8736 3.8736 3.9982 3.9982 5.0759 5.0759 5.3020 5.3020 5.8991 5.8991 5.9580 5.9580 6.6988 6.6988 6.8111 6.8111 7.8791 7.8791 7.9262 7.9262 8.7501 8.7501 9.0140 9.0140 9.4596 9.4596 9.4626 9.4626 10.8636 10.8636 11.0749 11.0749 12.1082 12.1082 12.2288 12.2288 15.0942 15.0942 15.3751 15.3751 k = 0.3922 0.3497-0.0000 ( 2334 PWs) bands (ev): -7.9262 -7.9262 -7.9253 -7.9253 -7.4151 -7.4151 -7.2792 -7.2792 3.1188 3.1188 3.3293 3.3293 3.8804 3.8804 4.0044 4.0044 5.0205 5.0205 5.2405 5.2405 5.8989 5.8989 5.9530 5.9530 6.6801 6.6801 6.7947 6.7947 7.8671 7.8671 7.9305 7.9305 8.7922 8.7922 9.0432 9.0432 9.5052 9.5052 9.5070 9.5070 10.8687 10.8687 11.0836 11.0836 12.1175 12.1175 12.2292 12.2292 15.0774 15.0774 15.3559 15.3559 k = 0.3824 0.3497-0.0000 ( 2334 PWs) bands (ev): -7.9256 -7.9256 -7.9243 -7.9243 -7.4252 -7.4252 -7.2915 -7.2915 3.1413 3.1413 3.3520 3.3520 3.8901 3.8901 4.0128 4.0128 4.9631 4.9631 5.1767 5.1767 5.8978 5.8978 5.9462 5.9462 6.6610 6.6610 6.7761 6.7761 7.8562 7.8562 7.9343 7.9343 8.8368 8.8368 9.0755 9.0755 9.5518 9.5518 9.5525 9.5525 10.8724 10.8724 11.0915 11.0915 12.1297 12.1297 12.2316 12.2316 15.0596 15.0596 15.3353 15.3353 k = 0.3725 0.3497-0.0000 ( 2336 PWs) bands (ev): -7.9256 -7.9256 -7.9238 -7.9238 -7.4353 -7.4353 -7.3040 -7.3040 3.1638 3.1638 3.3737 3.3737 3.9033 3.9033 4.0238 4.0238 4.9040 4.9040 5.1112 5.1112 5.8958 5.8958 5.9376 5.9376 6.6417 6.6417 6.7553 6.7553 7.8472 7.8472 7.9377 7.9377 8.8832 8.8832 9.1102 9.1102 9.5987 9.5987 9.5991 9.5991 10.8745 10.8745 11.0981 11.0981 12.1452 12.1452 12.2364 12.2364 15.0408 15.0408 15.3135 15.3135 k = 0.3627 0.3497-0.0000 ( 2340 PWs) bands (ev): -7.9263 -7.9263 -7.9239 -7.9239 -7.4451 -7.4451 -7.3167 -7.3167 3.1857 3.1857 3.3938 3.3938 3.9205 3.9205 4.0378 4.0378 4.8437 4.8437 5.0443 5.0443 5.8929 5.8929 5.9272 5.9272 6.6219 6.6219 6.7320 6.7320 7.8404 7.8404 7.9413 7.9413 8.9310 8.9310 9.1469 9.1469 9.6453 9.6453 9.6466 9.6466 10.8747 10.8747 11.1030 11.1030 12.1643 12.1643 12.2442 12.2442 15.0211 15.0211 15.2904 15.2904 k = 0.3529 0.3497-0.0000 ( 2336 PWs) bands (ev): -7.9280 -7.9280 -7.9247 -7.9247 -7.4544 -7.4544 -7.3291 -7.3291 3.2068 3.2068 3.4118 3.4118 3.9422 3.9422 4.0552 4.0552 4.7825 4.7825 4.9767 4.9767 5.8892 5.8892 5.9153 5.9153 6.6015 6.6015 6.7063 6.7063 7.8363 7.8363 7.9455 7.9455 8.9794 8.9794 9.1851 9.1851 9.6920 9.6920 9.6938 9.6938 10.8727 10.8727 11.1059 11.1059 12.1875 12.1875 12.2553 12.2553 15.0008 15.0008 15.2664 15.2664 k = 0.3431 0.3497-0.0000 ( 2334 PWs) bands (ev): -7.9308 -7.9308 -7.9264 -7.9264 -7.4629 -7.4629 -7.3412 -7.3412 3.2264 3.2264 3.4271 3.4271 3.9686 3.9686 4.0761 4.0761 4.7211 4.7211 4.9087 4.9087 5.8847 5.8847 5.9019 5.9019 6.5804 6.5804 6.6780 6.6780 7.8352 7.8352 7.9507 7.9507 9.0280 9.0280 9.2241 9.2241 9.7384 9.7384 9.7405 9.7405 10.8684 10.8684 11.1065 11.1065 12.2148 12.2148 12.2702 12.2702 14.9800 14.9800 15.2414 15.2414 k = 0.3333 0.3497-0.0000 ( 2342 PWs) bands (ev): -7.9349 -7.9349 -7.9292 -7.9292 -7.4705 -7.4705 -7.3526 -7.3526 3.2443 3.2443 3.4397 3.4397 3.9996 3.9996 4.1008 4.1008 4.6596 4.6596 4.8409 4.8409 5.8794 5.8794 5.8870 5.8870 6.5586 6.5586 6.6473 6.6473 7.8374 7.8374 7.9572 7.9572 9.0763 9.0763 9.2635 9.2635 9.7842 9.7842 9.7861 9.7861 10.8620 10.8620 11.1045 11.1045 12.2464 12.2464 12.2892 12.2892 14.9587 14.9587 15.2156 15.2156 k = 0.3235 0.3497-0.0000 ( 2338 PWs) bands (ev): -7.9404 -7.9404 -7.9330 -7.9330 -7.4769 -7.4769 -7.3633 -7.3633 3.2603 3.2603 3.4495 3.4495 4.0347 4.0347 4.1291 4.1291 4.5988 4.5988 4.7739 4.7739 5.8709 5.8709 5.8733 5.8733 6.5359 6.5359 6.6142 6.6142 7.8429 7.8429 7.9655 7.9655 9.1237 9.1237 9.3028 9.3028 9.8292 9.8292 9.8302 9.8302 10.8535 10.8535 11.0999 11.0999 12.2825 12.2825 12.3125 12.3125 14.9372 14.9372 15.1891 15.1891 k = 0.3137 0.3497-0.0000 ( 2342 PWs) bands (ev): -7.9475 -7.9475 -7.9382 -7.9382 -7.4819 -7.4819 -7.3729 -7.3729 3.2740 3.2740 3.4568 3.4568 4.0730 4.0730 4.1606 4.1606 4.5393 4.5393 4.7087 4.7087 5.8537 5.8537 5.8666 5.8666 6.5124 6.5124 6.5790 6.5790 7.8519 7.8519 7.9758 7.9758 9.1700 9.1700 9.3415 9.3415 9.8722 9.8722 9.8730 9.8730 10.8432 10.8432 11.0926 11.0926 12.3230 12.3230 12.3402 12.3402 14.9156 14.9156 15.1620 15.1620 k = 0.3039 0.3497-0.0000 ( 2350 PWs) bands (ev): -7.9562 -7.9562 -7.9448 -7.9448 -7.4855 -7.4855 -7.3814 -7.3814 3.2857 3.2857 3.4618 3.4618 4.1131 4.1131 4.1942 4.1942 4.4823 4.4823 4.6464 4.6464 5.8355 5.8355 5.8593 5.8593 6.4880 6.4880 6.5417 6.5417 7.8643 7.8643 7.9883 7.9883 9.2145 9.2145 9.3791 9.3791 9.9119 9.9119 9.9153 9.9153 10.8315 10.8315 11.0829 11.0829 12.3678 12.3678 12.3723 12.3723 14.8939 14.8939 15.1344 15.1344 k = 0.2941 0.3497-0.0000 ( 2350 PWs) bands (ev): -7.9664 -7.9664 -7.9529 -7.9529 -7.4876 -7.4876 -7.3885 -7.3885 3.2951 3.2951 3.4649 3.4649 4.1524 4.1524 4.2268 4.2268 4.4311 4.4311 4.5892 4.5892 5.8163 5.8163 5.8515 5.8515 6.4627 6.4627 6.5028 6.5028 7.8802 7.8802 8.0032 8.0032 9.2570 9.2570 9.4153 9.4153 9.9485 9.9485 9.9558 9.9558 10.8189 10.8189 11.0709 11.0709 12.4090 12.4090 12.4169 12.4169 14.8724 14.8724 15.1065 15.1065 k = 0.2843 0.3497-0.0000 ( 2354 PWs) bands (ev): -7.9782 -7.9782 -7.9625 -7.9625 -7.4881 -7.4881 -7.3943 -7.3943 3.3026 3.3026 3.4665 3.4665 4.1866 4.1866 4.2488 4.2488 4.3950 4.3950 4.5412 4.5412 5.7965 5.7965 5.8432 5.8432 6.4368 6.4368 6.4625 6.4625 7.8993 7.8993 8.0207 8.0207 9.2970 9.2970 9.4495 9.4495 9.9817 9.9817 9.9942 9.9942 10.8060 10.8060 11.0571 11.0571 12.4499 12.4499 12.4699 12.4699 14.8512 14.8512 15.0784 15.0784 k = 0.2745 0.3497-0.0000 ( 2358 PWs) bands (ev): -7.9914 -7.9914 -7.9735 -7.9735 -7.4872 -7.4872 -7.3986 -7.3986 3.3082 3.3082 3.4669 3.4669 4.2079 4.2079 4.2408 4.2408 4.3933 4.3933 4.5096 4.5096 5.7760 5.7760 5.8345 5.8345 6.4105 6.4105 6.4213 6.4213 7.9217 7.9217 8.0409 8.0409 9.3342 9.3342 9.4813 9.4813 10.0108 10.0108 10.0300 10.0300 10.7935 10.7935 11.0417 11.0417 12.4949 12.4949 12.5267 12.5267 14.8304 14.8304 15.0501 15.0501 k = 0.2647 0.3497-0.0000 ( 2358 PWs) bands (ev): -8.0060 -8.0060 -7.9860 -7.9860 -7.4848 -7.4848 -7.4015 -7.4015 3.3121 3.3121 3.4665 3.4665 4.2044 4.2044 4.2072 4.2072 4.4239 4.4239 4.5031 4.5031 5.7551 5.7551 5.8255 5.8255 6.3795 6.3795 6.3839 6.3839 7.9471 7.9471 8.0637 8.0637 9.3680 9.3680 9.5103 9.5103 10.0355 10.0355 10.0631 10.0631 10.7821 10.7821 11.0255 11.0255 12.5439 12.5439 12.5870 12.5870 14.8102 14.8102 15.0218 15.0218 k = 0.2549 0.3497-0.0000 ( 2354 PWs) bands (ev): -8.0217 -8.0217 -7.9998 -7.9998 -7.4811 -7.4811 -7.4029 -7.4029 3.3144 3.3144 3.4653 3.4653 4.1580 4.1580 4.1833 4.1833 4.4682 4.4682 4.5226 4.5226 5.7340 5.7340 5.8163 5.8163 6.3377 6.3377 6.3573 6.3573 7.9755 7.9755 8.0892 8.0892 9.3983 9.3983 9.5359 9.5359 10.0553 10.0553 10.0929 10.0929 10.7726 10.7726 11.0088 11.0088 12.5966 12.5966 12.6506 12.6506 14.7906 14.7906 14.9935 14.9935 k = 0.2451 0.3497-0.0000 ( 2354 PWs) bands (ev): -8.0384 -8.0384 -8.0148 -8.0148 -7.4762 -7.4762 -7.4030 -7.4030 3.3155 3.3155 3.4637 3.4637 4.1096 4.1096 4.1439 4.1439 4.5177 4.5177 4.5598 4.5598 5.7127 5.7127 5.8068 5.8068 6.2965 6.2965 6.3313 6.3313 8.0066 8.0066 8.1173 8.1173 9.4247 9.4247 9.5577 9.5577 10.0699 10.0699 10.1192 10.1192 10.7655 10.7655 10.9922 10.9922 12.6526 12.6526 12.7172 12.7172 14.7717 14.7717 14.9653 14.9653 k = 0.2353 0.3497-0.0000 ( 2354 PWs) bands (ev): -8.0558 -8.0558 -8.0309 -8.0309 -7.4703 -7.4703 -7.4019 -7.4019 3.3153 3.3153 3.4618 3.4618 4.0617 4.0617 4.0972 4.0972 4.5694 4.5694 4.6061 4.6061 5.6916 5.6916 5.7971 5.7971 6.2564 6.2564 6.3061 6.3061 8.0405 8.0405 8.1480 8.1480 9.4467 9.4467 9.5751 9.5751 10.0793 10.0793 10.1416 10.1416 10.7613 10.7613 10.9765 10.9765 12.7118 12.7118 12.7865 12.7865 14.7537 14.7537 14.9374 14.9374 k = 0.2255 0.3497-0.0000 ( 2354 PWs) bands (ev): -8.0739 -8.0739 -8.0478 -8.0478 -7.4635 -7.4635 -7.3997 -7.3997 3.3140 3.3140 3.4595 3.4595 4.0155 4.0155 4.0477 4.0477 4.6216 4.6216 4.6562 4.6562 5.6710 5.6710 5.7872 5.7872 6.2184 6.2184 6.2823 6.2823 8.0768 8.0768 8.1811 8.1811 9.4643 9.4643 9.5878 9.5878 10.0835 10.0835 10.1597 10.1597 10.7604 10.7604 10.9620 10.9620 12.7737 12.7737 12.8582 12.8582 14.7365 14.7365 14.9097 14.9097 k = 0.2157 0.3497-0.0000 ( 2354 PWs) bands (ev): -8.0923 -8.0923 -8.0655 -8.0655 -7.4560 -7.4560 -7.3965 -7.3965 3.3117 3.3117 3.4569 3.4569 3.9715 3.9715 3.9979 3.9979 4.6730 4.6730 4.7070 4.7070 5.6511 5.6511 5.7768 5.7768 6.1832 6.1832 6.2604 6.2604 8.1154 8.1154 8.2166 8.2166 9.4770 9.4770 9.5953 9.5953 10.0831 10.0831 10.1734 10.1734 10.7627 10.7627 10.9493 10.9493 12.8383 12.8383 12.9319 12.9319 14.7203 14.7203 14.8824 14.8824 k = 0.2059 0.3497-0.0000 ( 2354 PWs) bands (ev): -8.1110 -8.1110 -8.0837 -8.0837 -7.4479 -7.4479 -7.3924 -7.3924 3.3084 3.3084 3.4538 3.4538 3.9302 3.9302 3.9493 3.9493 4.7227 4.7227 4.7565 4.7565 5.6323 5.6323 5.7658 5.7658 6.1521 6.1521 6.2410 6.2410 8.1562 8.1562 8.2543 8.2543 9.4848 9.4848 9.5973 9.5973 10.0784 10.0784 10.1824 10.1824 10.7681 10.7681 10.9387 10.9387 12.9050 12.9050 13.0075 13.0075 14.7051 14.7051 14.8554 14.8554 k = 0.1961 0.3497-0.0000 ( 2356 PWs) bands (ev): -8.1297 -8.1297 -8.1022 -8.1022 -7.4393 -7.4393 -7.3877 -7.3877 3.3041 3.3041 3.4502 3.4502 3.8919 3.8919 3.9029 3.9029 4.7694 4.7694 4.8029 4.8029 5.6151 5.6151 5.7538 5.7538 6.1263 6.1263 6.2249 6.2249 8.1990 8.1990 8.2940 8.2940 9.4876 9.4876 9.5937 9.5937 10.0701 10.0701 10.1866 10.1866 10.7763 10.7763 10.9307 10.9307 12.9737 12.9737 13.0845 13.0845 14.6909 14.6909 14.8289 14.8289 k = 0.1863 0.3497-0.0000 ( 2364 PWs) bands (ev): -8.1483 -8.1483 -8.1209 -8.1209 -7.4304 -7.4304 -7.3824 -7.3824 3.2988 3.2988 3.4456 3.4456 3.8569 3.8569 3.8595 3.8595 4.8123 4.8123 4.8447 4.8447 5.5997 5.5997 5.7405 5.7405 6.1069 6.1069 6.2126 6.2126 8.2437 8.2437 8.3355 8.3355 9.4853 9.4853 9.5845 9.5845 10.0587 10.0587 10.1860 10.1860 10.7868 10.7868 10.9253 10.9253 13.0440 13.0440 13.1627 13.1627 14.6777 14.6777 14.8027 14.8027 k = 0.1765 0.3497-0.0000 ( 2364 PWs) bands (ev): -8.1667 -8.1667 -8.1395 -8.1395 -7.4213 -7.4213 -7.3767 -7.3767 3.2925 3.2925 3.4398 3.4398 3.8197 3.8197 3.8254 3.8254 4.8504 4.8504 4.8807 4.8807 5.5866 5.5866 5.7255 5.7255 6.0952 6.0952 6.2049 6.2049 8.2900 8.2900 8.3787 8.3787 9.4781 9.4781 9.5701 9.5701 10.0446 10.0446 10.1806 10.1806 10.7991 10.7991 10.9226 10.9226 13.1155 13.1155 13.2417 13.2417 14.6654 14.6654 14.7769 14.7769 k = 0.1667 0.3497-0.0000 ( 2364 PWs) bands (ev): -8.1847 -8.1847 -8.1580 -8.1580 -7.4120 -7.4120 -7.3707 -7.3707 3.2852 3.2852 3.4323 3.4323 3.7841 3.7841 3.7975 3.7975 4.8828 4.8828 4.9099 4.9099 5.5760 5.5760 5.7090 5.7090 6.0919 6.0919 6.2025 6.2025 8.3379 8.3379 8.4233 8.4233 9.4662 9.4662 9.5508 9.5508 10.0282 10.0282 10.1706 10.1706 10.8130 10.8130 10.9223 10.9223 13.1880 13.1880 13.3211 13.3211 14.6541 14.6541 14.7516 14.7516 k = 0.1569 0.3497-0.0000 ( 2368 PWs) bands (ev): -8.2022 -8.2022 -8.1763 -8.1763 -7.4028 -7.4028 -7.3645 -7.3645 3.2769 3.2769 3.4226 3.4226 3.7535 3.7535 3.7733 3.7733 4.9089 4.9089 4.9315 4.9315 5.5679 5.5679 5.6912 5.6912 6.0972 6.0972 6.2057 6.2057 8.3871 8.3871 8.4691 8.4691 9.4500 9.4500 9.5273 9.5273 10.0094 10.0094 10.1562 10.1562 10.8278 10.8278 10.9242 10.9242 13.2611 13.2611 13.4005 13.4005 14.6436 14.6436 14.7266 14.7266 k = 0.1471 0.3497-0.0000 ( 2368 PWs) bands (ev): -8.2191 -8.2191 -8.1941 -8.1941 -7.3936 -7.3936 -7.3582 -7.3582 3.2676 3.2676 3.4105 3.4105 3.7282 3.7282 3.7529 3.7529 4.9283 4.9283 4.9455 4.9455 5.5620 5.5620 5.6726 5.6726 6.1108 6.1108 6.2151 6.2151 8.4373 8.4373 8.5158 8.5158 9.4300 9.4300 9.5006 9.5006 9.9884 9.9884 10.1376 10.1376 10.8433 10.8433 10.9281 10.9281 13.3343 13.3343 13.4796 13.4796 14.6340 14.6340 14.7020 14.7020 k = 0.1373 0.3497-0.0000 ( 2368 PWs) bands (ev): -8.2353 -8.2353 -8.2113 -8.2113 -7.3845 -7.3845 -7.3520 -7.3520 3.2576 3.2576 3.3958 3.3958 3.7085 3.7085 3.7361 3.7361 4.9410 4.9410 4.9522 4.9522 5.5577 5.5577 5.6539 5.6539 6.1321 6.1321 6.2305 6.2305 8.4884 8.4884 8.5630 8.5630 9.4066 9.4066 9.4715 9.4715 9.9651 9.9651 10.1152 10.1152 10.8591 10.8591 10.9335 10.9335 13.4074 13.4074 13.5580 13.5580 14.6249 14.6249 14.6778 14.6778 k = 0.1275 0.3497-0.0000 ( 2368 PWs) bands (ev): -8.2506 -8.2506 -8.2279 -8.2279 -7.3757 -7.3757 -7.3459 -7.3459 3.2470 3.2470 3.3787 3.3787 3.6940 3.6940 3.7228 3.7228 4.9473 4.9473 4.9523 4.9523 5.5546 5.5546 5.6358 5.6358 6.1600 6.1600 6.2516 6.2516 8.5400 8.5400 8.6101 8.6101 9.3807 9.3807 9.4412 9.4412 9.9392 9.9392 10.0892 10.0892 10.8749 10.8749 10.9402 10.9402 13.4799 13.4799 13.6352 13.6352 14.6164 14.6164 14.6537 14.6537 k = 0.1176 0.3497-0.0000 ( 2368 PWs) bands (ev): -8.2651 -8.2651 -8.2437 -8.2437 -7.3672 -7.3672 -7.3400 -7.3400 3.2361 3.2361 3.3596 3.3596 3.6843 3.6843 3.7127 3.7127 4.9471 4.9471 4.9478 4.9478 5.5519 5.5519 5.6186 5.6186 6.1933 6.1933 6.2778 6.2778 8.5919 8.5919 8.6568 8.6568 9.3530 9.3530 9.4108 9.4108 9.9109 9.9109 10.0597 10.0597 10.8905 10.8905 10.9476 10.9476 13.5514 13.5514 13.7108 13.7108 14.6082 14.6082 14.6298 14.6298 k = 0.1078 0.3497-0.0000 ( 2364 PWs) bands (ev): -8.2786 -8.2786 -8.2586 -8.2586 -7.3590 -7.3590 -7.3343 -7.3343 3.2251 3.2251 3.3394 3.3394 3.6786 3.6786 3.7054 3.7054 4.9376 4.9376 4.9433 4.9433 5.5493 5.5493 5.6029 5.6029 6.2306 6.2306 6.3081 6.3081 8.6434 8.6434 8.7022 8.7022 9.3244 9.3244 9.3819 9.3819 9.8801 9.8801 10.0272 10.0272 10.9058 10.9058 10.9555 10.9555 13.6217 13.6217 13.7844 13.7844 14.6001 14.6001 14.6061 14.6061 k = 0.0980 0.3497-0.0000 ( 2368 PWs) bands (ev): -8.2910 -8.2910 -8.2726 -8.2726 -7.3513 -7.3513 -7.3291 -7.3291 3.2144 3.2144 3.3186 3.3186 3.6762 3.6762 3.7006 3.7006 4.9252 4.9252 4.9347 4.9347 5.5465 5.5465 5.5887 5.5887 6.2706 6.2706 6.3412 6.3412 8.6940 8.6940 8.7454 8.7454 9.2962 9.2962 9.3559 9.3559 9.8467 9.8467 9.9918 9.9918 10.9203 10.9203 10.9635 10.9635 13.6902 13.6902 13.8554 13.8554 14.5824 14.5824 14.5920 14.5920 k = 0.0882 0.3497-0.0000 ( 2364 PWs) bands (ev): -8.3024 -8.3024 -8.2856 -8.2856 -7.3441 -7.3441 -7.3242 -7.3242 3.2042 3.2042 3.2978 3.2978 3.6763 3.6763 3.6979 3.6979 4.9109 4.9109 4.9231 4.9231 5.5435 5.5435 5.5761 5.5761 6.3120 6.3120 6.3760 6.3760 8.7428 8.7428 8.7851 8.7851 9.2698 9.2698 9.3346 9.3346 9.8109 9.8109 9.9537 9.9537 10.9342 10.9342 10.9715 10.9715 13.7567 13.7567 13.9233 13.9233 14.5587 14.5587 14.5834 14.5834 k = 0.0784 0.3497-0.0000 ( 2356 PWs) bands (ev): -8.3126 -8.3126 -8.2974 -8.2974 -7.3374 -7.3374 -7.3198 -7.3198 3.1949 3.1949 3.2778 3.2778 3.6782 3.6782 3.6968 3.6968 4.8957 4.8957 4.9095 4.9095 5.5404 5.5404 5.5650 5.5650 6.3535 6.3535 6.4110 6.4110 8.7885 8.7885 8.8199 8.8199 9.2470 9.2470 9.3202 9.3202 9.7728 9.7728 9.9132 9.9132 10.9470 10.9470 10.9790 10.9790 13.8209 13.8209 13.9876 13.9876 14.5350 14.5350 14.5743 14.5743 k = 0.0686 0.3497-0.0000 ( 2356 PWs) bands (ev): -8.3216 -8.3216 -8.3082 -8.3082 -7.3312 -7.3312 -7.3160 -7.3160 3.1866 3.1866 3.2588 3.2588 3.6813 3.6813 3.6970 3.6970 4.8805 4.8805 4.8949 4.8949 5.5371 5.5371 5.5555 5.5555 6.3940 6.3940 6.4450 6.4450 8.8293 8.8293 8.8483 8.8483 9.2303 9.2303 9.3145 9.3145 9.7327 9.7327 9.8707 9.8707 10.9589 10.9589 10.9859 10.9859 13.8822 13.8822 14.0476 14.0476 14.5115 14.5115 14.5642 14.5642 k = 0.0588 0.3497-0.0000 ( 2356 PWs) bands (ev): -8.3293 -8.3293 -8.3177 -8.3177 -7.3257 -7.3257 -7.3127 -7.3127 3.1797 3.1797 3.2412 3.2412 3.6851 3.6851 3.6980 3.6980 4.8661 4.8661 4.8800 4.8800 5.5339 5.5339 5.5474 5.5474 6.4323 6.4323 6.4767 6.4767 8.8628 8.8628 8.8694 8.8694 9.2223 9.2223 9.3188 9.3188 9.6908 9.6908 9.8263 9.8263 10.9695 10.9695 10.9921 10.9921 13.9406 13.9406 14.1024 14.1024 14.4885 14.4885 14.5530 14.5530 k = 0.0490 0.3497-0.0000 ( 2348 PWs) bands (ev): -8.3357 -8.3357 -8.3260 -8.3260 -7.3208 -7.3208 -7.3100 -7.3100 3.1742 3.1742 3.2252 3.2252 3.6892 3.6892 3.6995 3.6995 4.8530 4.8530 4.8658 4.8658 5.5310 5.5310 5.5407 5.5407 6.4674 6.4674 6.5050 6.5050 8.8832 8.8832 8.8869 8.8869 9.2258 9.2258 9.3334 9.3334 9.6477 9.6477 9.7804 9.7804 10.9790 10.9790 10.9973 10.9973 13.9956 13.9956 14.1508 14.1508 14.4668 14.4668 14.5402 14.5402 k = 0.0392 0.3497-0.0000 ( 2348 PWs) bands (ev): -8.3409 -8.3409 -8.3331 -8.3331 -7.3165 -7.3165 -7.3079 -7.3079 3.1705 3.1705 3.2111 3.2111 3.6931 3.6931 3.7010 3.7010 4.8419 4.8419 4.8529 4.8529 5.5285 5.5285 5.5352 5.5352 6.4984 6.4984 6.5289 6.5289 8.8910 8.8910 8.9008 8.9008 9.2418 9.2418 9.3566 9.3566 9.6042 9.6042 9.7335 9.7335 10.9871 10.9871 11.0015 11.0015 14.0469 14.0469 14.1906 14.1906 14.4478 14.4478 14.5257 14.5257 k = 0.0294 0.3497-0.0000 ( 2356 PWs) bands (ev): -8.3447 -8.3447 -8.3388 -8.3388 -7.3130 -7.3130 -7.3065 -7.3065 3.1685 3.1685 3.1988 3.1988 3.6967 3.6967 3.7024 3.7024 4.8332 4.8332 4.8419 4.8419 5.5265 5.5265 5.5310 5.5310 6.5243 6.5243 6.5475 6.5475 8.8949 8.8949 8.9063 8.9063 9.2689 9.2689 9.3849 9.3849 9.5624 9.5624 9.6861 9.6861 10.9938 10.9938 11.0045 11.0045 14.0943 14.0943 14.2186 14.2186 14.4346 14.4346 14.5093 14.5093 k = 0.0196 0.3497-0.0000 ( 2356 PWs) bands (ev): -8.3471 -8.3471 -8.3432 -8.3432 -7.3101 -7.3101 -7.3058 -7.3058 3.1685 3.1685 3.1886 3.1886 3.6997 3.6997 3.7034 3.7034 4.8272 4.8272 4.8332 4.8332 5.5251 5.5251 5.5278 5.5278 6.5445 6.5445 6.5601 6.5601 8.8970 8.8970 8.9064 8.9064 9.3040 9.3040 9.4100 9.4100 9.5291 9.5291 9.6388 9.6388 10.9991 10.9991 11.0062 11.0062 14.1372 14.1372 14.2307 14.2307 14.4309 14.4309 14.4913 14.4913 k = 0.0098 0.3497-0.0000 ( 2354 PWs) bands (ev): -8.3482 -8.3482 -8.3462 -8.3462 -7.3080 -7.3080 -7.3058 -7.3058 3.1704 3.1704 3.1805 3.1805 3.7019 3.7019 3.7037 3.7037 4.8242 4.8242 4.8272 4.8272 5.5245 5.5245 5.5258 5.5258 6.5585 6.5585 6.5663 6.5663 8.8988 8.8988 8.9040 8.9040 9.3433 9.3433 9.4113 9.4113 9.5236 9.5236 9.5930 9.5930 11.0030 11.0030 11.0065 11.0065 14.1747 14.1747 14.2252 14.2252 14.4383 14.4383 14.4723 14.4723 k = 0.0000 0.3497-0.0000 ( 2354 PWs) bands (ev): -8.3479 -8.3479 -8.3479 -8.3479 -7.3065 -7.3065 -7.3065 -7.3065 3.1744 3.1744 3.1744 3.1744 3.7032 3.7032 3.7032 3.7032 4.8242 4.8242 4.8242 4.8242 5.5246 5.5246 5.5246 5.5246 6.5658 6.5658 6.5658 6.5658 8.9011 8.9011 8.9011 8.9011 9.3824 9.3824 9.3824 9.3824 9.5516 9.5516 9.5516 9.5516 11.0055 11.0055 11.0055 11.0055 14.2050 14.2050 14.2050 14.2050 14.4536 14.4536 14.4536 14.4536 k = 0.0000 0.3497-0.0000 ( 2354 PWs) bands (ev): -8.3479 -8.3479 -8.3479 -8.3479 -7.3065 -7.3065 -7.3065 -7.3065 3.1744 3.1744 3.1744 3.1744 3.7032 3.7032 3.7032 3.7032 4.8242 4.8242 4.8242 4.8242 5.5246 5.5246 5.5246 5.5246 6.5658 6.5658 6.5658 6.5658 8.9011 8.9011 8.9011 8.9011 9.3824 9.3824 9.3824 9.3824 9.5516 9.5516 9.5516 9.5516 11.0055 11.0055 11.0055 11.0055 14.2050 14.2050 14.2050 14.2050 14.4536 14.4536 14.4536 14.4536 k = 0.0000 0.3400-0.0000 ( 2358 PWs) bands (ev): -8.3857 -8.3857 -8.3103 -8.3103 -7.3232 -7.3232 -7.2890 -7.2890 3.1654 3.1654 3.1772 3.1772 3.6980 3.6980 3.7068 3.7068 4.7973 4.7973 4.8577 4.8577 5.4480 5.4480 5.6057 5.6057 6.5440 6.5440 6.5897 6.5897 8.8936 8.8936 8.9078 8.9078 9.3763 9.3763 9.3853 9.3853 9.5357 9.5357 9.5666 9.5666 10.9576 10.9576 11.0523 11.0523 14.1663 14.1663 14.2271 14.2271 14.4117 14.4117 14.5130 14.5130 k = 0.0000 0.3303-0.0000 ( 2354 PWs) bands (ev): -8.4236 -8.4236 -8.2731 -8.2731 -7.3389 -7.3389 -7.2708 -7.2708 3.1502 3.1502 3.1736 3.1736 3.6909 3.6909 3.7092 3.7092 4.7776 4.7776 4.8964 4.8964 5.3775 5.3775 5.6899 5.6899 6.5244 6.5244 6.6157 6.6157 8.8853 8.8853 8.9139 8.9139 9.3677 9.3677 9.3844 9.3844 9.5200 9.5200 9.5800 9.5800 10.9089 10.9089 11.0981 11.0981 14.1086 14.1086 14.2393 14.2393 14.3897 14.3897 14.5829 14.5829 k = 0.0000 0.3206-0.0000 ( 2348 PWs) bands (ev): -8.4614 -8.4614 -8.2366 -8.2366 -7.3535 -7.3535 -7.2519 -7.2519 3.1292 3.1292 3.1639 3.1639 3.6817 3.6817 3.7109 3.7109 4.7645 4.7645 4.9372 4.9372 5.3167 5.3167 5.7767 5.7767 6.5070 6.5070 6.6436 6.6436 8.8761 8.8761 8.9193 8.9193 9.3564 9.3564 9.3786 9.3786 9.5062 9.5062 9.5911 9.5911 10.8594 10.8594 11.1427 11.1427 14.0368 14.0368 14.2470 14.2470 14.3832 14.3832 14.6579 14.6579 k = 0.0000 0.3108-0.0000 ( 2350 PWs) bands (ev): -8.4990 -8.4990 -8.2008 -8.2008 -7.3667 -7.3667 -7.2326 -7.2326 3.1028 3.1028 3.1480 3.1480 3.6706 3.6706 3.7122 3.7122 4.7565 4.7565 4.9744 4.9744 5.2722 5.2722 5.8653 5.8653 6.4921 6.4921 6.6735 6.6735 8.8660 8.8660 8.9240 8.9240 9.3420 9.3420 9.3678 9.3678 9.4954 9.4954 9.5998 9.5998 10.8092 10.8092 11.1858 11.1858 13.9564 13.9564 14.2531 14.2531 14.3863 14.3863 14.7347 14.7347 k = 0.0000 0.3011-0.0000 ( 2346 PWs) bands (ev): -8.5363 -8.5363 -8.1662 -8.1662 -7.3784 -7.3784 -7.2128 -7.2128 3.0716 3.0716 3.1265 3.1265 3.6577 3.6577 3.7136 3.7136 4.7506 4.7506 4.9990 4.9990 5.2552 5.2552 5.9553 5.9553 6.4795 6.4795 6.7051 6.7051 8.8549 8.8549 8.9280 8.9280 9.3232 9.3232 9.3535 9.3535 9.4878 9.4878 9.6059 9.6059 10.7585 10.7585 11.2275 11.2275 13.8712 13.8712 14.2593 14.2593 14.3956 14.3956 14.8119 14.8119 k = 0.0000 0.2914-0.0000 ( 2346 PWs) bands (ev): -8.5732 -8.5732 -8.1329 -8.1329 -7.3884 -7.3884 -7.1927 -7.1927 3.0360 3.0360 3.0995 3.0995 3.6437 3.6437 3.7152 3.7152 4.7420 4.7420 5.0063 5.0063 5.2735 5.2735 6.0462 6.0462 6.4697 6.4697 6.7386 6.7386 8.8427 8.8427 8.9312 8.9312 9.2988 9.2988 9.3378 9.3378 9.4826 9.4826 9.6095 9.6095 10.7074 10.7074 11.2675 11.2675 13.7832 13.7832 14.2661 14.2661 14.4091 14.4091 14.8884 14.8884 k = 0.0000 0.2817-0.0000 ( 2346 PWs) bands (ev): -8.6096 -8.6096 -8.1013 -8.1013 -7.3963 -7.3963 -7.1724 -7.1724 2.9969 2.9969 3.0676 3.0676 3.6290 3.6290 3.7170 3.7170 4.7251 4.7251 5.0073 5.0073 5.3205 5.3205 6.1373 6.1373 6.4628 6.4628 6.7737 6.7737 8.8293 8.8293 8.9335 8.9335 9.2693 9.2693 9.3219 9.3219 9.4785 9.4785 9.6107 9.6107 10.6560 10.6560 11.3057 11.3057 13.6937 13.6937 14.2741 14.2741 14.4256 14.4256 14.9637 14.9637 k = 0.0000 0.2720-0.0000 ( 2346 PWs) bands (ev): -8.6453 -8.6453 -8.0716 -8.0716 -7.4021 -7.4021 -7.1519 -7.1519 2.9546 2.9546 3.0314 3.0314 3.6140 3.6140 3.7191 3.7191 4.6965 4.6965 5.0158 5.0158 5.3843 5.3843 6.2277 6.2277 6.4598 6.4598 6.8105 6.8105 8.8146 8.8146 8.9346 8.9346 9.2362 9.2362 9.3060 9.3060 9.4744 9.4744 9.6097 9.6097 10.6044 10.6044 11.3419 11.3419 13.6034 13.6034 14.2834 14.2834 14.4445 14.4445 15.0375 15.0375 k = 0.0000 0.2623-0.0000 ( 2350 PWs) bands (ev): -8.6804 -8.6804 -8.0443 -8.0443 -7.4053 -7.4053 -7.1313 -7.1313 2.9099 2.9099 2.9915 2.9915 3.5991 3.5991 3.7214 3.7214 4.6575 4.6575 5.0364 5.0364 5.4576 5.4576 6.3144 6.3144 6.4630 6.4630 6.8488 6.8488 8.7985 8.7985 8.9339 8.9339 9.2011 9.2011 9.2897 9.2897 9.4696 9.4696 9.6069 9.6069 10.5527 10.5527 11.3759 11.3759 13.5130 13.5130 14.2940 14.2940 14.4654 14.4654 15.1095 15.1095 k = 0.0000 0.2526-0.0000 ( 2342 PWs) bands (ev): -8.7148 -8.7148 -8.0195 -8.0195 -7.4058 -7.4058 -7.1107 -7.1107 2.8633 2.8633 2.9485 2.9485 3.5847 3.5847 3.7239 3.7239 4.6116 4.6116 5.0679 5.0679 5.5368 5.5368 6.3866 6.3866 6.4833 6.4833 6.8887 6.8887 8.7809 8.7809 8.9306 8.9306 9.1657 9.1657 9.2729 9.2729 9.4632 9.4632 9.6027 9.6027 10.5012 10.5012 11.4073 11.4073 13.4230 13.4230 14.3059 14.3059 14.4878 14.4878 15.1794 15.1794 k = 0.0000 0.2428-0.0000 ( 2336 PWs) bands (ev): -8.7483 -8.7483 -7.9977 -7.9977 -7.4033 -7.4033 -7.0901 -7.0901 2.8153 2.8153 2.9030 2.9030 3.5708 3.5708 3.7265 3.7265 4.5621 4.5621 5.1077 5.1077 5.6200 5.6200 6.4228 6.4228 6.5418 6.5418 6.9299 6.9299 8.7617 8.7617 8.9234 8.9234 9.1320 9.1320 9.2558 9.2558 9.4548 9.4548 9.5976 9.5976 10.4500 10.4500 11.4360 11.4360 13.3341 13.3341 14.3191 14.3191 14.5116 14.5116 15.2472 15.2472 k = 0.0000 0.2331-0.0000 ( 2336 PWs) bands (ev): -8.7809 -8.7809 -7.9788 -7.9788 -7.3979 -7.3979 -7.0697 -7.0697 2.7662 2.7662 2.8557 2.8557 3.5575 3.5575 3.7291 3.7291 4.5114 4.5114 5.1538 5.1538 5.7059 5.7059 6.4373 6.4373 6.6239 6.6239 6.9725 6.9725 8.7408 8.7408 8.9102 8.9102 9.1023 9.1023 9.2383 9.2383 9.4438 9.4438 9.5920 9.5920 10.3991 10.3991 11.4615 11.4615 13.2466 13.2466 14.3334 14.3334 14.5365 14.5365 15.3126 15.3126 k = 0.0000 0.2234-0.0000 ( 2344 PWs) bands (ev): -8.8125 -8.8125 -7.9631 -7.9631 -7.3894 -7.3894 -7.0494 -7.0494 2.7165 2.7165 2.8073 2.8073 3.5448 3.5448 3.7317 3.7317 4.4607 4.4607 5.2046 5.2046 5.7938 5.7938 6.4481 6.4481 6.7113 6.7113 7.0163 7.0163 8.7180 8.7180 8.8892 8.8892 9.0788 9.0788 9.2207 9.2207 9.4301 9.4301 9.5862 9.5862 10.3489 10.3489 11.4835 11.4835 13.1613 13.1613 14.3488 14.3488 14.5622 14.5622 15.3755 15.3755 k = 0.0000 0.2137-0.0000 ( 2340 PWs) bands (ev): -8.8432 -8.8432 -7.9505 -7.9505 -7.3779 -7.3779 -7.0294 -7.0294 2.6666 2.6666 2.7582 2.7582 3.5329 3.5329 3.7341 3.7341 4.4109 4.4109 5.2589 5.2589 5.8829 5.8829 6.4597 6.4597 6.7995 6.7995 7.0614 7.0614 8.6931 8.6931 8.8601 8.8601 9.0621 9.0621 9.2031 9.2031 9.4136 9.4136 9.5806 9.5806 10.2994 10.2994 11.5015 11.5015 13.0787 13.0787 14.3649 14.3649 14.5885 14.5885 15.4357 15.4357 k = 0.0000 0.2040-0.0000 ( 2344 PWs) bands (ev): -8.8728 -8.8728 -7.9409 -7.9409 -7.3638 -7.3638 -7.0096 -7.0096 2.6166 2.6166 2.7089 2.7089 3.5216 3.5216 3.7365 3.7365 4.3626 4.3626 5.3161 5.3161 5.9725 5.9725 6.4736 6.4736 6.8867 6.8867 7.1076 7.1076 8.6661 8.6661 8.8241 8.8241 9.0507 9.0507 9.1860 9.1860 9.3946 9.3946 9.5752 9.5752 10.2509 10.2509 11.5150 11.5150 12.9995 12.9995 14.3818 14.3818 14.6153 14.6153 15.4932 15.4932 k = 0.0000 0.1943-0.0000 ( 2344 PWs) bands (ev): -8.9013 -8.9013 -7.9339 -7.9339 -7.3474 -7.3474 -6.9902 -6.9902 2.5670 2.5670 2.6599 2.6599 3.5110 3.5110 3.7387 3.7387 4.3162 4.3162 5.3755 5.3755 6.0618 6.0618 6.4904 6.4904 6.9721 6.9721 7.1548 7.1548 8.6367 8.6367 8.7834 8.7834 9.0424 9.0424 9.1699 9.1699 9.3734 9.3734 9.5699 9.5699 10.2035 10.2035 11.5236 11.5236 12.9245 12.9245 14.3992 14.3992 14.6424 14.6424 15.5477 15.5477 k = 0.0000 0.1846-0.0000 ( 2354 PWs) bands (ev): -8.9287 -8.9287 -7.9294 -7.9294 -7.3290 -7.3290 -6.9713 -6.9713 2.5180 2.5180 2.6117 2.6117 3.5010 3.5010 3.7406 3.7406 4.2717 4.2717 5.4365 5.4365 6.1498 6.1498 6.5109 6.5109 7.0551 7.0551 7.2030 7.2030 8.6047 8.6047 8.7402 8.7402 9.0343 9.0343 9.1555 9.1555 9.3508 9.3508 9.5647 9.5647 10.1576 10.1576 11.5265 11.5265 12.8544 12.8544 14.4169 14.4169 14.6695 14.6695 15.5990 15.5990 k = 0.0000 0.1748-0.0000 ( 2350 PWs) bands (ev): -8.9549 -8.9549 -7.9269 -7.9269 -7.3090 -7.3090 -6.9527 -6.9527 2.4697 2.4697 2.5646 2.5646 3.4916 3.4916 3.7424 3.7424 4.2294 4.2294 5.4987 5.4987 6.2350 6.2350 6.5365 6.5365 7.1350 7.1350 7.2523 7.2523 8.5700 8.5700 8.6960 8.6960 9.0243 9.0243 9.1438 9.1438 9.3275 9.3275 9.5592 9.5592 10.1132 10.1132 11.5234 11.5234 12.7899 12.7899 14.4349 14.4349 14.6966 14.6966 15.6469 15.6469 k = 0.0000 0.1651-0.0000 ( 2345 PWs) bands (ev): -8.9799 -8.9799 -7.9260 -7.9260 -7.2881 -7.2881 -6.9348 -6.9348 2.4226 2.4226 2.5188 2.5188 3.4828 3.4828 3.7439 3.7439 4.1894 4.1894 5.5618 5.5618 6.3150 6.3150 6.5690 6.5690 7.2112 7.2112 7.3025 7.3025 8.5326 8.5326 8.6520 8.6520 9.0105 9.0105 9.1349 9.1349 9.3047 9.3047 9.5535 9.5535 10.0707 10.0707 11.5137 11.5137 12.7318 12.7318 14.4529 14.4529 14.7234 14.7234 15.6910 15.6910 k = 0.0000 0.1554-0.0000 ( 2353 PWs) bands (ev): -9.0036 -9.0036 -7.9266 -7.9266 -7.2664 -7.2664 -6.9174 -6.9174 2.3766 2.3766 2.4747 2.4747 3.4745 3.4745 3.7452 3.7452 4.1518 4.1518 5.6254 5.6254 6.3868 6.3868 6.6111 6.6111 7.2827 7.2827 7.3539 7.3539 8.4927 8.4927 8.6089 8.6089 8.9923 8.9923 9.1282 9.1282 9.2839 9.2839 9.5472 9.5472 10.0303 10.0303 11.4973 11.4973 12.6806 12.6806 14.4707 14.4707 14.7497 14.7497 15.7308 15.7308 k = 0.0000 0.1457-0.0000 ( 2349 PWs) bands (ev): -9.0261 -9.0261 -7.9281 -7.9281 -7.2446 -7.2446 -6.9006 -6.9006 2.3322 2.3322 2.4325 2.4325 3.4668 3.4668 3.7463 3.7463 4.1165 4.1165 5.6891 5.6891 6.4475 6.4475 6.6652 6.6652 7.3489 7.3489 7.4063 7.4063 8.4506 8.4506 8.5673 8.5673 8.9696 8.9696 9.1216 9.1216 9.2670 9.2670 9.5403 9.5403 9.9922 9.9922 11.4742 11.4742 12.6364 12.6364 14.4883 14.4883 14.7754 14.7754 15.7654 15.7654 k = 0.0000 0.1360-0.0000 ( 2353 PWs) bands (ev): -9.0472 -9.0472 -7.9305 -7.9305 -7.2228 -7.2228 -6.8846 -6.8846 2.2895 2.2895 2.3923 2.3923 3.4595 3.4595 3.7471 3.7471 4.0836 4.0836 5.7526 5.7526 6.4970 6.4970 6.7311 6.7311 7.4094 7.4094 7.4594 7.4594 8.4072 8.4072 8.5274 8.5274 8.9428 8.9428 9.1129 9.1129 9.2560 9.2560 9.5327 9.5327 9.9567 9.9567 11.4447 11.4447 12.5992 12.5992 14.5053 14.5053 14.8003 14.8003 15.7939 15.7939 k = 0.0000 0.1263-0.0000 ( 2355 PWs) bands (ev): -9.0670 -9.0670 -7.9334 -7.9334 -7.2014 -7.2014 -6.8693 -6.8693 2.2487 2.2487 2.3544 2.3544 3.4528 3.4528 3.7477 3.7477 4.0531 4.0531 5.8155 5.8155 6.5380 6.5380 6.8054 6.8054 7.4645 7.4645 7.5116 7.5116 8.3632 8.3632 8.4895 8.4895 8.9124 8.9124 9.1005 9.1005 9.2521 9.2521 9.5243 9.5243 9.9239 9.9239 11.4095 11.4095 12.5689 12.5689 14.5218 14.5218 14.8243 14.8243 15.8146 15.8146 k = 0.0000 0.1166-0.0000 ( 2355 PWs) bands (ev): -9.0854 -9.0854 -7.9367 -7.9367 -7.1808 -7.1808 -6.8548 -6.8548 2.2100 2.2100 2.3189 2.3189 3.4465 3.4465 3.7480 3.7480 4.0251 4.0251 5.8774 5.8774 6.5740 6.5740 6.8842 6.8842 7.5153 7.5153 7.5609 7.5609 8.3197 8.3197 8.4538 8.4538 8.8788 8.8788 9.0845 9.0845 9.2549 9.2549 9.5152 9.5152 9.8940 9.8940 11.3696 11.3696 12.5447 12.5447 14.5376 14.5376 14.8472 14.8472 15.8255 15.8255 k = 0.0000 0.1069-0.0000 ( 2359 PWs) bands (ev): -9.1024 -9.1024 -7.9401 -7.9401 -7.1610 -7.1610 -6.8412 -6.8412 2.1736 2.1736 2.2858 2.2858 3.4408 3.4408 3.7482 3.7482 3.9994 3.9994 5.9380 5.9380 6.6070 6.6070 6.9647 6.9647 7.5620 7.5620 7.6057 7.6057 8.2777 8.2777 8.4209 8.4209 8.8423 8.8423 9.0659 9.0659 9.2629 9.2629 9.5053 9.5053 9.8672 9.8672 11.3262 11.3262 12.5259 12.5259 14.5526 14.5526 14.8688 14.8688 15.8245 15.8245 k = 0.0000 0.0971-0.0000 ( 2355 PWs) bands (ev): -9.1180 -9.1180 -7.9436 -7.9436 -7.1424 -7.1424 -6.8286 -6.8286 2.1398 2.1398 2.2554 2.2554 3.4355 3.4355 3.7482 3.7482 3.9761 3.9761 5.9966 5.9966 6.6383 6.6383 7.0451 7.0451 7.6042 7.6042 7.6450 7.6450 8.2384 8.2384 8.3911 8.3911 8.8034 8.8034 9.0461 9.0461 9.2747 9.2747 9.4949 9.4949 9.8433 9.8433 11.2805 11.2805 12.5117 12.5117 14.5667 14.5667 14.8890 14.8890 15.8114 15.8114 k = 0.0000 0.0874-0.0000 ( 2361 PWs) bands (ev): -9.1322 -9.1322 -7.9471 -7.9471 -7.1252 -7.1252 -6.8169 -6.8169 2.1086 2.1086 2.2276 2.2276 3.4307 3.4307 3.7480 3.7480 3.9553 3.9553 6.0529 6.0529 6.6684 6.6684 7.1240 7.1240 7.6409 7.6409 7.6782 7.6782 8.2031 8.2031 8.3654 8.3654 8.7626 8.7626 9.0259 9.0259 9.2890 9.2890 9.4841 9.4841 9.8223 9.8223 11.2338 11.2338 12.5013 12.5013 14.5796 14.5796 14.9078 14.9078 15.7878 15.7878 k = 0.0000 0.0777-0.0000 ( 2361 PWs) bands (ev): -9.1449 -9.1449 -7.9504 -7.9504 -7.1094 -7.1094 -6.8063 -6.8063 2.0803 2.0803 2.2026 2.2026 3.4265 3.4265 3.7477 3.7477 3.9368 3.9368 6.1061 6.1061 6.6972 6.6972 7.2005 7.2005 7.6700 7.6700 7.7057 7.7057 8.1732 8.1732 8.3442 8.3442 8.7202 8.7202 9.0059 9.0059 9.3047 9.3047 9.4734 9.4734 9.8042 9.8042 11.1877 11.1877 12.4939 12.4939 14.5915 14.5915 14.9249 14.9249 15.7577 15.7577 k = 0.0000 0.0680-0.0000 ( 2361 PWs) bands (ev): -9.1562 -9.1562 -7.9535 -7.9535 -7.0951 -7.0951 -6.7968 -6.7968 2.0549 2.0549 2.1803 2.1803 3.4227 3.4227 3.7472 3.7472 3.9206 3.9206 6.1558 6.1558 6.7247 6.7247 7.2737 7.2737 7.6901 7.6901 7.7273 7.7273 8.1504 8.1504 8.3281 8.3281 8.6770 8.6770 8.9865 8.9865 9.3210 9.3210 9.4630 9.4630 9.7887 9.7887 11.1433 11.1433 12.4888 12.4888 14.6022 14.6022 14.9402 14.9402 15.7250 15.7250 k = 0.0000 0.0583-0.0000 ( 2371 PWs) bands (ev): -9.1660 -9.1660 -7.9563 -7.9563 -7.0826 -7.0826 -6.7884 -6.7884 2.0327 2.0327 2.1609 2.1609 3.4194 3.4194 3.7467 3.7467 3.9067 3.9067 6.2011 6.2011 6.7504 6.7504 7.3427 7.3427 7.7016 7.7016 7.7419 7.7419 8.1359 8.1359 8.3174 8.3174 8.6334 8.6334 8.9681 8.9681 9.3372 9.3372 9.4533 9.4533 9.7756 9.7756 11.1018 11.1018 12.4855 12.4855 14.6115 14.6115 14.9537 14.9537 15.6926 15.6926 k = 0.0000 0.0486-0.0000 ( 2371 PWs) bands (ev): -9.1743 -9.1743 -7.9587 -7.9587 -7.0719 -7.0719 -6.7812 -6.7812 2.0136 2.0136 2.1445 2.1445 3.4166 3.4166 3.7461 3.7461 3.8951 3.8951 6.2412 6.2412 6.7739 6.7739 7.4067 7.4067 7.7060 7.7060 7.7482 7.7482 8.1300 8.1300 8.3122 8.3122 8.5902 8.5902 8.9513 8.9513 9.3525 9.3525 9.4446 9.4446 9.7647 9.7647 11.0645 11.0645 12.4834 12.4834 14.6195 14.6195 14.9653 14.9653 15.6629 15.6629 k = 0.0000 0.0389-0.0000 ( 2375 PWs) bands (ev): -9.1811 -9.1811 -7.9608 -7.9608 -7.0630 -7.0630 -6.7753 -6.7753 1.9980 1.9980 2.1309 2.1309 3.4143 3.4143 3.7455 3.7455 3.8857 3.8857 6.2756 6.2756 6.7945 6.7945 7.4650 7.4650 7.7055 7.7055 7.7462 7.7462 8.1312 8.1312 8.3126 8.3126 8.5482 8.5482 8.9365 8.9365 9.3663 9.3663 9.4372 9.4372 9.7559 9.7559 11.0324 11.0324 12.4822 12.4822 14.6262 14.6262 14.9749 14.9749 15.6372 15.6372 k = 0.0000 0.0291-0.0000 ( 2367 PWs) bands (ev): -9.1864 -9.1864 -7.9624 -7.9624 -7.0561 -7.0561 -6.7706 -6.7706 1.9857 1.9857 2.1204 2.1204 3.4125 3.4125 3.7450 3.7450 3.8785 3.8785 6.3032 6.3032 6.8115 6.8115 7.5164 7.5164 7.7020 7.7020 7.7377 7.7377 8.1366 8.1366 8.3185 8.3185 8.5084 8.5084 8.9242 8.9242 9.3779 9.3779 9.4313 9.4313 9.7492 9.7492 11.0063 11.0063 12.4815 12.4815 14.6314 14.6314 14.9824 14.9824 15.6164 15.6164 k = 0.0000 0.0194-0.0000 ( 2365 PWs) bands (ev): -9.1902 -9.1902 -7.9635 -7.9635 -7.0511 -7.0511 -6.7673 -6.7673 1.9769 1.9769 2.1129 2.1129 3.4112 3.4112 3.7446 3.7446 3.8734 3.8734 6.3236 6.3236 6.8242 6.8242 7.5596 7.5596 7.6968 7.6968 7.7255 7.7255 8.1430 8.1430 8.3294 8.3294 8.4725 8.4725 8.9150 8.9150 9.3866 9.3866 9.4271 9.4271 9.7443 9.7443 10.9871 10.9871 12.4812 12.4812 14.6351 14.6351 14.9878 14.9878 15.6011 15.6011 k = 0.0000 0.0097-0.0000 ( 2365 PWs) bands (ev): -9.1925 -9.1925 -7.9642 -7.9642 -7.0481 -7.0481 -6.7653 -6.7653 1.9716 1.9716 2.1083 2.1083 3.4105 3.4105 3.7443 3.7443 3.8703 3.8703 6.3360 6.3360 6.8322 6.8322 7.5915 7.5915 7.6904 7.6904 7.7146 7.7146 8.1477 8.1477 8.3426 8.3426 8.4440 8.4440 8.9093 8.9093 9.3920 9.3920 9.4245 9.4245 9.7414 9.7414 10.9753 10.9753 12.4811 12.4811 14.6374 14.6374 14.9910 14.9910 15.5918 15.5918 k = 0.0000 0.0000 0.0000 ( 2361 PWs) bands (ev): -9.1933 -9.1933 -7.9645 -7.9645 -7.0471 -7.0471 -6.7646 -6.7646 1.9698 1.9698 2.1068 2.1068 3.4102 3.4102 3.7442 3.7442 3.8693 3.8693 6.3402 6.3402 6.8349 6.8349 7.6046 7.6046 7.6862 7.6862 7.7104 7.7104 8.1495 8.1495 8.3497 8.3497 8.4318 8.4318 8.9073 8.9073 9.3938 9.3938 9.4237 9.4237 9.7405 9.7405 10.9713 10.9713 12.4811 12.4811 14.6381 14.6381 14.9921 14.9921 15.5887 15.5887 k = 0.0000 0.0000 0.0000 ( 2361 PWs) bands (ev): -9.1933 -9.1933 -7.9645 -7.9645 -7.0471 -7.0471 -6.7646 -6.7646 1.9698 1.9698 2.1068 2.1068 3.4102 3.4102 3.7442 3.7442 3.8693 3.8693 6.3402 6.3402 6.8349 6.8349 7.6046 7.6046 7.6862 7.6862 7.7104 7.7104 8.1495 8.1495 8.3497 8.3497 8.4318 8.4318 8.9073 8.9073 9.3938 9.3938 9.4237 9.4237 9.7405 9.7405 10.9713 10.9713 12.4811 12.4811 14.6381 14.6381 14.9921 14.9921 15.5887 15.5887 k = 0.0000 0.0000 0.0099 ( 2361 PWs) bands (ev): -9.1925 -9.1925 -7.9645 -7.9645 -7.0474 -7.0474 -6.7656 -6.7656 1.9718 1.9718 2.1081 2.1081 3.4107 3.4107 3.7445 3.7445 3.8706 3.8706 6.3361 6.3361 6.8329 6.8329 7.6013 7.6013 7.6317 7.6317 7.7642 7.7642 8.1471 8.1471 8.3371 8.3371 8.4508 8.4508 8.9074 8.9074 9.3917 9.3917 9.4244 9.4244 9.7391 9.7391 10.9759 10.9759 12.4796 12.4796 14.6374 14.6374 14.9912 14.9912 15.5926 15.5926 k = 0.0000 0.0000 0.0197 ( 2357 PWs) bands (ev): -9.1901 -9.1901 -7.9647 -7.9647 -7.0484 -7.0484 -6.7686 -6.7686 1.9779 1.9779 2.1119 2.1119 3.4120 3.4120 3.7452 3.7452 3.8746 3.8746 6.3241 6.3241 6.8270 6.8270 7.5522 7.5522 7.6084 7.6084 7.8238 7.8238 8.1411 8.1411 8.3157 8.3157 8.4908 8.4908 8.9079 8.9079 9.3847 9.3847 9.4272 9.4272 9.7349 9.7349 10.9895 10.9895 12.4751 12.4751 14.6350 14.6350 14.9884 14.9884 15.6042 15.6042 k = 0.0000 0.0000 0.0296 ( 2361 PWs) bands (ev): -9.1862 -9.1862 -7.9650 -7.9650 -7.0500 -7.0500 -6.7737 -6.7737 1.9880 1.9880 2.1183 2.1183 3.4142 3.4142 3.7464 3.7464 3.8812 3.8812 6.3043 6.3043 6.8174 6.8174 7.4789 7.4789 7.6040 7.6040 7.8766 7.8766 8.1348 8.1348 8.2976 8.2976 8.5385 8.5385 8.9090 8.9090 9.3722 9.3722 9.4331 9.4331 9.7279 9.7279 11.0116 11.0116 12.4678 12.4678 14.6312 14.6312 14.9838 14.9838 15.6233 15.6233 k = 0.0000 0.0000 0.0395 ( 2361 PWs) bands (ev): -9.1808 -9.1808 -7.9654 -7.9654 -7.0523 -7.0523 -6.7807 -6.7807 2.0021 2.0021 2.1272 2.1272 3.4173 3.4173 3.7479 3.7479 3.8907 3.8907 6.2773 6.2773 6.8044 6.8044 7.4024 7.4024 7.5967 7.5967 7.9195 7.9195 8.1331 8.1331 8.2856 8.2856 8.5900 8.5900 8.9111 8.9111 9.3547 9.3547 9.4423 9.4423 9.7184 9.7184 11.0418 11.0418 12.4577 12.4577 14.6258 14.6258 14.9774 14.9774 15.6495 15.6495 k = 0.0000 0.0000 0.0494 ( 2363 PWs) bands (ev): -9.1738 -9.1738 -7.9660 -7.9660 -7.0552 -7.0552 -6.7896 -6.7896 2.0201 2.0201 2.1386 2.1386 3.4212 3.4212 3.7497 3.7497 3.9030 3.9030 6.2437 6.2437 6.7883 6.7883 7.3238 7.3238 7.5835 7.5835 7.9493 7.9493 8.1395 8.1395 8.2812 8.2812 8.6432 8.6432 8.9145 8.9145 9.3329 9.3329 9.4544 9.4544 9.7064 9.7064 11.0792 11.0792 12.4451 12.4451 14.6189 14.6189 14.9693 14.9693 15.6823 15.6823 k = 0.0000 0.0000 0.0592 ( 2367 PWs) bands (ev): -9.1652 -9.1652 -7.9668 -7.9668 -7.0588 -7.0588 -6.8003 -6.8003 2.0419 2.0419 2.1525 2.1525 3.4260 3.4260 3.7516 3.7516 3.9183 3.9183 6.2043 6.2043 6.7696 6.7696 7.2435 7.2435 7.5629 7.5629 7.9658 7.9658 8.1523 8.1523 8.2871 8.2871 8.6972 8.6972 8.9200 8.9200 9.3077 9.3077 9.4693 9.4693 9.6923 9.6923 11.1230 11.1230 12.4303 12.4303 14.6106 14.6106 14.9594 14.9594 15.7205 15.7205 k = 0.0000 0.0000 0.0691 ( 2359 PWs) bands (ev): -9.1551 -9.1551 -7.9678 -7.9678 -7.0630 -7.0630 -6.8127 -6.8127 2.0674 2.0674 2.1688 2.1688 3.4315 3.4315 3.7536 3.7536 3.9365 3.9365 6.1595 6.1595 6.7487 6.7487 7.1616 7.1616 7.5346 7.5346 7.9708 7.9708 8.1666 8.1666 8.3062 8.3062 8.7509 8.7509 8.9283 8.9283 9.2800 9.2800 9.4865 9.4865 9.6765 9.6765 11.1721 11.1721 12.4136 12.4136 14.6010 14.6010 14.9479 14.9479 15.7627 15.7627 k = 0.0000 0.0000 0.0790 ( 2359 PWs) bands (ev): -9.1436 -9.1436 -7.9691 -7.9691 -7.0677 -7.0677 -6.8267 -6.8267 2.0965 2.0965 2.1876 2.1876 3.4379 3.4379 3.7557 3.7557 3.9579 3.9579 6.1103 6.1103 6.7258 6.7258 7.0784 7.0784 7.4993 7.4993 7.9650 7.9650 8.1816 8.1816 8.3369 8.3369 8.8030 8.8030 8.9402 8.9402 9.2505 9.2505 9.5050 9.5050 9.6601 9.6601 11.2255 11.2255 12.3957 12.3957 14.5901 14.5901 14.9348 14.9348 15.8055 15.8055 k = 0.0000 0.0000 0.0888 ( 2357 PWs) bands (ev): -9.1305 -9.1305 -7.9708 -7.9708 -7.0731 -7.0731 -6.8421 -6.8421 2.1291 2.1291 2.2088 2.2088 3.4450 3.4450 3.7577 3.7577 3.9822 3.9822 6.0572 6.0572 6.7015 6.7015 6.9941 6.9941 7.4582 7.4582 7.9474 7.9474 8.2006 8.2006 8.3748 8.3748 8.8518 8.8518 8.9575 8.9575 9.2202 9.2202 9.5227 9.5227 9.6452 9.6452 11.2819 11.2819 12.3771 12.3771 14.5781 14.5781 14.9202 14.9202 15.8430 15.8430 k = 0.0000 0.0000 0.0987 ( 2351 PWs) bands (ev): -9.1160 -9.1160 -7.9728 -7.9728 -7.0790 -7.0790 -6.8589 -6.8589 2.1650 2.1650 2.2323 2.2323 3.4528 3.4528 3.7598 3.7598 4.0096 4.0096 6.0007 6.0007 6.6759 6.6759 6.9089 6.9089 7.4128 7.4128 7.9182 7.9182 8.2258 8.2258 8.4160 8.4160 8.8943 8.8943 8.9824 8.9824 9.1899 9.1899 9.5347 9.5347 9.6369 9.6369 11.3399 11.3399 12.3589 12.3589 14.5649 14.5649 14.9041 14.9041 15.8660 15.8660 k = 0.0000 0.0000 0.1086 ( 2353 PWs) bands (ev): -9.1000 -9.1000 -7.9753 -7.9753 -7.0855 -7.0855 -6.8767 -6.8767 2.2040 2.2040 2.2582 2.2582 3.4614 3.4614 3.7618 3.7618 4.0401 4.0401 5.9416 5.9416 6.6494 6.6494 6.8229 6.8229 7.3643 7.3643 7.8783 7.8783 8.2568 8.2568 8.4581 8.4581 8.9280 8.9280 9.0168 9.0168 9.1607 9.1607 9.5335 9.5335 9.6427 9.6427 11.3979 11.3979 12.3424 12.3424 14.5508 14.5508 14.8867 14.8867 15.8670 15.8670 k = 0.0000 0.0000 0.1185 ( 2361 PWs) bands (ev): -9.0826 -9.0826 -7.9784 -7.9784 -7.0925 -7.0925 -6.8956 -6.8956 2.2457 2.2457 2.2864 2.2864 3.4705 3.4705 3.7638 3.7638 4.0734 4.0734 5.8802 5.8802 6.6217 6.6217 6.7369 6.7369 7.3137 7.3137 7.8292 7.8292 8.2923 8.2923 8.4998 8.4998 8.9540 8.9540 9.0575 9.0575 9.1347 9.1347 9.5186 9.5186 9.6631 9.6631 11.4539 11.4539 12.3291 12.3291 14.5359 14.5359 14.8681 14.8681 15.8480 15.8480 k = 0.0000 0.0000 0.1283 ( 2361 PWs) bands (ev): -9.0638 -9.0638 -7.9821 -7.9821 -7.1000 -7.1000 -6.9151 -6.9151 2.2896 2.2896 2.3173 2.3173 3.4803 3.4803 3.7657 3.7657 4.1097 4.1097 5.8171 5.8171 6.5913 6.5913 6.6528 6.6528 7.2619 7.2619 7.7724 7.7724 8.3309 8.3309 8.5403 8.5403 8.9743 8.9743 9.0906 9.0906 9.1238 9.1238 9.4958 9.4958 9.6925 9.6925 11.5054 11.5054 12.3214 12.3214 14.5202 14.5202 14.8483 14.8483 15.8154 15.8154 k = 0.0000 0.0000 0.1382 ( 2357 PWs) bands (ev): -9.0437 -9.0437 -7.9866 -7.9866 -7.1080 -7.1080 -6.9353 -6.9353 2.3341 2.3341 2.3522 2.3522 3.4907 3.4907 3.7677 3.7677 4.1488 4.1488 5.7528 5.7528 6.5428 6.5428 6.5864 6.5864 7.2093 7.2093 7.7089 7.7089 8.3715 8.3715 8.5794 8.5794 8.9874 8.9874 9.0876 9.0876 9.1581 9.1581 9.4691 9.4691 9.7270 9.7270 11.5494 11.5494 12.3219 12.3219 14.5041 14.5041 14.8275 14.8275 15.7738 15.7738 k = 0.0000 0.0000 0.1481 ( 2357 PWs) bands (ev): -9.0222 -9.0222 -7.9919 -7.9919 -7.1164 -7.1164 -6.9557 -6.9557 2.3752 2.3752 2.3947 2.3947 3.5016 3.5016 3.7696 3.7696 4.1906 4.1906 5.6876 5.6876 6.4626 6.4626 6.5516 6.5516 7.1566 7.1566 7.6396 7.6396 8.4128 8.4128 8.6168 8.6168 8.9887 8.9887 9.0878 9.0878 9.2024 9.2024 9.4403 9.4403 9.7649 9.7649 11.5830 11.5830 12.3335 12.3335 14.4875 14.4875 14.8058 14.8058 15.7259 15.7259 k = 0.0000 0.0000 0.1579 ( 2357 PWs) bands (ev): -8.9995 -8.9995 -7.9983 -7.9983 -7.1252 -7.1252 -6.9763 -6.9763 2.4133 2.4133 2.4441 2.4441 3.5130 3.5130 3.7715 3.7715 4.2350 4.2350 5.6222 5.6222 6.3753 6.3753 6.5243 6.5243 7.1041 7.1041 7.5653 7.5653 8.4540 8.4540 8.6524 8.6524 8.9790 8.9790 9.1010 9.1010 9.2464 9.2464 9.4105 9.4105 9.8053 9.8053 11.6038 11.6038 12.3583 12.3583 14.4707 14.4707 14.7833 14.7833 15.6730 15.6730 k = 0.0000 0.0000 0.1678 ( 2353 PWs) bands (ev): -8.9755 -8.9755 -8.0057 -8.0057 -7.1344 -7.1344 -6.9967 -6.9967 2.4515 2.4515 2.4967 2.4967 3.5249 3.5249 3.7734 3.7734 4.2818 4.2818 5.5568 5.5568 6.2868 6.2868 6.4990 6.4990 7.0520 7.0520 7.4866 7.4866 8.4943 8.4943 8.6860 8.6860 8.9646 8.9646 9.1220 9.1220 9.2883 9.2883 9.3808 9.3808 9.8478 9.8478 11.6108 11.6108 12.3972 12.3972 14.4538 14.4538 14.7601 14.7601 15.6160 15.6160 k = 0.0000 0.0000 0.1777 ( 2351 PWs) bands (ev): -8.9503 -8.9503 -8.0144 -8.0144 -7.1438 -7.1438 -7.0168 -7.0168 2.4908 2.4908 2.5511 2.5511 3.5372 3.5372 3.7753 3.7753 4.3309 4.3309 5.4922 5.4922 6.1979 6.1979 6.4750 6.4750 7.0007 7.0007 7.4043 7.4043 8.5327 8.5327 8.7174 8.7174 8.9503 8.9503 9.1467 9.1467 9.3230 9.3230 9.3560 9.3560 9.8921 9.8921 11.6045 11.6045 12.4497 12.4497 14.4370 14.4370 14.7364 14.7364 15.5554 15.5554 k = 0.0000 0.0000 0.1876 ( 2359 PWs) bands (ev): -8.9239 -8.9239 -8.0244 -8.0244 -7.1535 -7.1535 -7.0364 -7.0364 2.5314 2.5314 2.6067 2.6067 3.5498 3.5498 3.7772 3.7772 4.3819 4.3819 5.4287 5.4287 6.1090 6.1090 6.4524 6.4524 6.9504 6.9504 7.3188 7.3188 8.5685 8.5685 8.7463 8.7463 8.9388 8.9388 9.1731 9.1731 9.3134 9.3134 9.3736 9.3736 9.9379 9.9379 11.5868 11.5868 12.5137 12.5137 14.4204 14.4204 14.7123 14.7123 15.4915 15.4915 k = 0.0000 0.0000 0.1974 ( 2359 PWs) bands (ev): -8.8965 -8.8965 -8.0359 -8.0359 -7.1632 -7.1632 -7.0553 -7.0553 2.5731 2.5731 2.6629 2.6629 3.5628 3.5628 3.7791 3.7791 4.4345 4.4345 5.3673 5.3673 6.0206 6.0206 6.4311 6.4311 6.9011 6.9011 7.2309 7.2309 8.6007 8.6007 8.7721 8.7721 8.9318 8.9318 9.2005 9.2005 9.2856 9.2856 9.4076 9.4076 9.9850 9.9850 11.5597 11.5597 12.5872 12.5872 14.4043 14.4043 14.6880 14.6880 15.4246 15.4246 k = 0.0000 0.0000 0.2073 ( 2361 PWs) bands (ev): -8.8680 -8.8680 -8.0490 -8.0490 -7.1730 -7.1730 -7.0733 -7.0733 2.6159 2.6159 2.7192 2.7192 3.5761 3.5761 3.7810 3.7810 4.4881 4.4881 5.3087 5.3087 5.9328 5.9328 6.4112 6.4112 6.8529 6.8529 7.1410 7.1410 8.6286 8.6286 8.7938 8.7938 8.9308 8.9308 9.2279 9.2279 9.2580 9.2580 9.4402 9.4402 10.0333 10.0333 11.5254 11.5254 12.6680 12.6680 14.3886 14.3886 14.6635 14.6635 15.3550 15.3550 k = 0.0000 0.0000 0.2172 ( 2361 PWs) bands (ev): -8.8385 -8.8385 -8.0638 -8.0638 -7.1825 -7.1825 -7.0904 -7.0904 2.6594 2.6594 2.7750 2.7750 3.5897 3.5897 3.7830 3.7830 4.5418 4.5418 5.2542 5.2542 5.8462 5.8462 6.3928 6.3928 6.8060 6.8060 7.0499 7.0499 8.6514 8.6514 8.8108 8.8108 8.9369 8.9369 9.2300 9.2300 9.2574 9.2574 9.4701 9.4701 10.0826 10.0826 11.4853 11.4853 12.7544 12.7544 14.3735 14.3735 14.6391 14.6391 15.2830 15.2830 k = 0.0000 0.0000 0.2270 ( 2357 PWs) bands (ev): -8.8081 -8.8081 -8.0803 -8.0803 -7.1917 -7.1917 -7.1066 -7.1066 2.7036 2.7036 2.8298 2.8298 3.6035 3.6035 3.7850 3.7850 4.5944 4.5944 5.2051 5.2051 5.7612 5.7612 6.3756 6.3756 6.7602 6.7602 6.9584 6.9584 8.6691 8.6691 8.8232 8.8232 8.9495 8.9495 9.2060 9.2060 9.2849 9.2849 9.4970 9.4970 10.1329 10.1329 11.4410 11.4410 12.8449 12.8449 14.3592 14.3592 14.6149 14.6149 15.2088 15.2088 k = 0.0000 0.0000 0.2369 ( 2349 PWs) bands (ev): -8.7769 -8.7769 -8.0986 -8.0986 -7.2004 -7.2004 -7.1217 -7.1217 2.7482 2.7482 2.8828 2.8828 3.6176 3.6176 3.7872 3.7872 4.6438 4.6438 5.1638 5.1638 5.6785 5.6785 6.3594 6.3594 6.7149 6.7149 6.8678 6.8678 8.6819 8.6819 8.8319 8.8319 8.9669 8.9669 9.1843 9.1843 9.3126 9.3126 9.5207 9.5207 10.1840 10.1840 11.3934 11.3934 12.9385 12.9385 14.3455 14.3455 14.5912 14.5912 15.1327 15.1327 k = 0.0000 0.0000 0.2468 ( 2347 PWs) bands (ev): -8.7449 -8.7449 -8.1187 -8.1187 -7.2083 -7.2083 -7.1358 -7.1358 2.7928 2.7928 2.9333 2.9333 3.6318 3.6318 3.7893 3.7893 4.6871 4.6871 5.1329 5.1329 5.5991 5.5991 6.3439 6.3439 6.6687 6.6687 6.7807 6.7807 8.6909 8.6909 8.8374 8.8374 8.9868 8.9868 9.1659 9.1659 9.3400 9.3400 9.5411 9.5411 10.2360 10.2360 11.3432 11.3432 13.0345 13.0345 14.3324 14.3324 14.5680 14.5680 15.0552 15.0552 k = 0.0000 0.0000 0.2566 ( 2346 PWs) bands (ev): -8.7122 -8.7122 -8.1407 -8.1407 -7.2154 -7.2154 -7.1489 -7.1489 2.8370 2.8370 2.9805 2.9805 3.6461 3.6461 3.7913 3.7913 4.7208 4.7208 5.1151 5.1151 5.5251 5.5251 6.3277 6.3277 6.6178 6.6178 6.7027 6.7027 8.6973 8.6973 8.8398 8.8398 9.0075 9.0075 9.1511 9.1511 9.3670 9.3670 9.5582 9.5582 10.2886 10.2886 11.2910 11.2910 13.1320 13.1320 14.3196 14.3196 14.5455 14.5455 14.9766 14.9766 k = 0.0000 0.0000 0.2665 ( 2342 PWs) bands (ev): -8.6789 -8.6789 -8.1644 -8.1644 -7.2214 -7.2214 -7.1611 -7.1611 2.8806 2.8806 3.0234 3.0234 3.6605 3.6605 3.7932 3.7932 4.7423 4.7423 5.1105 5.1105 5.4602 5.4602 6.3085 6.3085 6.5574 6.5574 6.6414 6.6414 8.7022 8.7022 8.8389 8.8389 9.0277 9.0277 9.1402 9.1402 9.3934 9.3934 9.5718 9.5718 10.3419 10.3419 11.2374 11.2374 13.2305 13.2305 14.3067 14.3067 14.5241 14.5241 14.8978 14.8978 k = 0.0000 0.0000 0.2764 ( 2342 PWs) bands (ev): -8.6451 -8.6451 -8.1898 -8.1898 -7.2263 -7.2263 -7.1724 -7.1724 2.9229 2.9229 3.0613 3.0613 3.6750 3.6750 3.7948 3.7948 4.7523 4.7523 5.1121 5.1121 5.4120 5.4120 6.2810 6.2810 6.4942 6.4942 6.5960 6.5960 8.7066 8.7066 8.8347 8.8347 9.0467 9.0467 9.1329 9.1329 9.4191 9.4191 9.5820 9.5820 10.3958 10.3958 11.1826 11.1826 13.3296 13.3296 14.2929 14.2929 14.5041 14.5041 14.8196 14.8196 k = 0.0000 0.0000 0.2863 ( 2342 PWs) bands (ev): -8.6110 -8.6110 -8.2167 -8.2167 -7.2300 -7.2300 -7.1828 -7.1828 2.9637 2.9637 3.0933 3.0933 3.6895 3.6895 3.7956 3.7956 4.7552 4.7552 5.1047 5.1047 5.3926 5.3926 6.2372 6.2372 6.4438 6.4438 6.5592 6.5592 8.7112 8.7112 8.8276 8.8276 9.0639 9.0639 9.1286 9.1286 9.4439 9.4439 9.5887 9.5887 10.4503 10.4503 11.1269 11.1269 13.4286 13.4286 14.2766 14.2766 14.4859 14.4859 14.7435 14.7435 k = 0.0000 0.0000 0.2961 ( 2350 PWs) bands (ev): -8.5765 -8.5765 -8.2452 -8.2452 -7.2324 -7.2324 -7.1923 -7.1923 3.0021 3.0021 3.1187 3.1187 3.7038 3.7038 3.7954 3.7954 4.7565 4.7565 5.0772 5.0772 5.4092 5.4092 6.1736 6.1736 6.4137 6.4137 6.5274 6.5274 8.7165 8.7165 8.8180 8.8180 9.0790 9.0790 9.1266 9.1266 9.4676 9.4676 9.5920 9.5920 10.5052 10.5052 11.0706 11.0706 13.5272 13.5272 14.2557 14.2557 14.4702 14.4702 14.6716 14.6716 k = 0.0000 0.0000 0.3060 ( 2352 PWs) bands (ev): -8.5418 -8.5418 -8.2750 -8.2750 -7.2336 -7.2336 -7.2009 -7.2009 3.0377 3.0377 3.1371 3.1371 3.7180 3.7180 3.7938 3.7938 4.7608 4.7608 5.0338 5.0338 5.4545 5.4545 6.0960 6.0960 6.4001 6.4001 6.4994 6.4994 8.7226 8.7226 8.8069 8.8069 9.0919 9.0919 9.1259 9.1259 9.4900 9.4900 9.5920 9.5920 10.5606 10.5606 11.0139 11.0139 13.6248 13.6248 14.2269 14.2269 14.4579 14.4579 14.6070 14.6070 k = 0.0000 0.0000 0.3159 ( 2352 PWs) bands (ev): -8.5072 -8.5072 -8.3059 -8.3059 -7.2334 -7.2334 -7.2086 -7.2086 3.0697 3.0697 3.1480 3.1480 3.7318 3.7318 3.7904 3.7904 4.7709 4.7709 4.9841 4.9841 5.5170 5.5170 6.0116 6.0116 6.3966 6.3966 6.4746 6.4746 8.7300 8.7300 8.7948 8.7948 9.1025 9.1025 9.1257 9.1257 9.5108 9.5108 9.5888 9.5888 10.6164 10.6164 10.9570 10.9570 13.7208 13.7208 14.1868 14.1868 14.4499 14.4499 14.5528 14.5528 k = 0.0000 0.0000 0.3257 ( 2348 PWs) bands (ev): -8.4725 -8.4725 -8.3378 -8.3378 -7.2321 -7.2321 -7.2153 -7.2153 3.0974 3.0974 3.1515 3.1515 3.7450 3.7450 3.7850 3.7850 4.7884 4.7884 4.9344 4.9344 5.5896 5.5896 5.9247 5.9247 6.3996 6.3996 6.4530 6.4530 8.7384 8.7384 8.7824 8.7824 9.1108 9.1108 9.1252 9.1252 9.5297 9.5297 9.5825 9.5825 10.6726 10.6726 10.8999 10.8999 13.8144 13.8144 14.1330 14.1330 14.4474 14.4474 14.5110 14.5110 k = 0.0000 0.0000 0.3356 ( 2348 PWs) bands (ev): -8.4382 -8.4382 -8.3706 -8.3706 -7.2295 -7.2295 -7.2211 -7.2211 3.1201 3.1201 3.1477 3.1477 3.7572 3.7572 3.7775 3.7775 4.8141 4.8141 4.8882 4.8882 5.6686 5.6686 5.8376 5.8376 6.4074 6.4074 6.4344 6.4344 8.7481 8.7481 8.7703 8.7703 9.1170 9.1170 9.1239 9.1239 9.5466 9.5466 9.5732 9.5732 10.7291 10.7291 10.8429 10.8429 13.9043 13.9043 14.0662 14.0662 14.4511 14.4511 14.4813 14.4813 k = 0.0000 0.0000 0.3455 ( 2350 PWs) bands (ev): -8.4041 -8.4041 -8.4041 -8.4041 -7.2259 -7.2259 -7.2259 -7.2259 3.1371 3.1371 3.1371 3.1371 3.7682 3.7682 3.7682 3.7682 4.8476 4.8476 4.8476 4.8476 5.7518 5.7518 5.7518 5.7518 6.4192 6.4192 6.4192 6.4192 8.7587 8.7587 8.7587 8.7587 9.1213 9.1213 9.1213 9.1213 9.5612 9.5612 9.5612 9.5612 10.7859 10.7859 10.7859 10.7859 13.9890 13.9890 13.9890 13.9890 14.4620 14.4620 14.4620 14.4620 k = 0.0000 0.0000 0.3455 ( 2350 PWs) bands (ev): -8.4041 -8.4041 -8.4041 -8.4041 -7.2259 -7.2259 -7.2259 -7.2259 3.1371 3.1371 3.1371 3.1371 3.7682 3.7682 3.7682 3.7682 4.8476 4.8476 4.8476 4.8476 5.7518 5.7518 5.7518 5.7518 6.4192 6.4192 6.4192 6.4192 8.7587 8.7587 8.7587 8.7587 9.1213 9.1213 9.1213 9.1213 9.5612 9.5612 9.5612 9.5612 10.7859 10.7859 10.7859 10.7859 13.9890 13.9890 13.9890 13.9890 14.4620 14.4620 14.4620 14.4620 k = 0.0098-0.0000 0.3455 ( 2348 PWs) bands (ev): -8.4042 -8.4042 -8.4026 -8.4026 -7.2270 -7.2270 -7.2256 -7.2256 3.1383 3.1383 3.1383 3.1383 3.7623 3.7623 3.7726 3.7726 4.8434 4.8434 4.8567 4.8567 5.7468 5.7468 5.7560 5.7560 6.4015 6.4015 6.4280 6.4280 8.7593 8.7593 8.7666 8.7666 9.1122 9.1122 9.1169 9.1169 9.5569 9.5569 9.5762 9.5762 10.7752 10.7752 10.7961 10.7961 13.9711 13.9711 14.0048 14.0048 14.4492 14.4492 14.4714 14.4714 k = 0.0196-0.0000 0.3455 ( 2348 PWs) bands (ev): -8.4028 -8.4028 -8.3995 -8.3995 -7.2291 -7.2291 -7.2262 -7.2262 3.1420 3.1420 3.1421 3.1421 3.7551 3.7551 3.7755 3.7755 4.8441 4.8441 4.8707 4.8707 5.7408 5.7408 5.7595 5.7595 6.3752 6.3752 6.4281 6.4281 8.7684 8.7684 8.7825 8.7825 9.0917 9.0917 9.0994 9.0994 9.5633 9.5633 9.6002 9.6002 10.7639 10.7639 10.8058 10.8058 13.9510 13.9510 14.0183 14.0183 14.4333 14.4333 14.4777 14.4777 k = 0.0294-0.0000 0.3455 ( 2344 PWs) bands (ev): -8.3998 -8.3998 -8.3949 -8.3949 -7.2321 -7.2321 -7.2277 -7.2277 3.1480 3.1480 3.1484 3.1484 3.7466 3.7466 3.7770 3.7770 4.8498 4.8498 4.8892 4.8892 5.7336 5.7336 5.7619 5.7619 6.3414 6.3414 6.4202 6.4202 8.7855 8.7855 8.8056 8.8056 9.0624 9.0624 9.0707 9.0707 9.5782 9.5782 9.6306 9.6306 10.7521 10.7521 10.8152 10.8152 13.9284 13.9284 14.0294 14.0294 14.4145 14.4145 14.4813 14.4813 k = 0.0392-0.0000 0.3455 ( 2344 PWs) bands (ev): -8.3954 -8.3954 -8.3889 -8.3889 -7.2359 -7.2359 -7.2301 -7.2301 3.1563 3.1563 3.1573 3.1573 3.7372 3.7372 3.7773 3.7773 4.8602 4.8602 4.9120 4.9120 5.7245 5.7245 5.7629 5.7629 6.3013 6.3013 6.4051 6.4051 8.8097 8.8097 8.8346 8.8346 9.0272 9.0272 9.0339 9.0339 9.5990 9.5990 9.6650 9.6650 10.7397 10.7397 10.8243 10.8243 13.9032 13.9032 14.0375 14.0375 14.3935 14.3935 14.4825 14.4825 k = 0.0490-0.0000 0.3455 ( 2344 PWs) bands (ev): -8.3896 -8.3896 -8.3813 -8.3813 -7.2406 -7.2406 -7.2334 -7.2334 3.1667 3.1667 3.1686 3.1686 3.7269 3.7269 3.7767 3.7767 4.8751 4.8751 4.9388 4.9388 5.7128 5.7128 5.7613 5.7613 6.2568 6.2568 6.3847 6.3847 8.8388 8.8388 8.8672 8.8672 8.9894 8.9894 8.9928 8.9928 9.6231 9.6231 9.7013 9.7013 10.7267 10.7267 10.8333 10.8333 13.8750 13.8750 14.0417 14.0417 14.3714 14.3714 14.4820 14.4820 k = 0.0588-0.0000 0.3455 ( 2340 PWs) bands (ev): -8.3822 -8.3822 -8.3724 -8.3724 -7.2461 -7.2461 -7.2375 -7.2375 3.1790 3.1790 3.1825 3.1825 3.7163 3.7163 3.7756 3.7756 4.8943 4.8943 4.9691 4.9691 5.6977 5.6977 5.7557 5.7557 6.2106 6.2106 6.3606 6.3606 8.8660 8.8660 8.8925 8.8925 8.9562 8.9562 8.9590 8.9590 9.6485 9.6485 9.7384 9.7384 10.7134 10.7134 10.8424 10.8424 13.8437 13.8437 14.0405 14.0405 14.3501 14.3501 14.4802 14.4802 k = 0.0686-0.0000 0.3455 ( 2336 PWs) bands (ev): -8.3734 -8.3734 -8.3620 -8.3620 -7.2525 -7.2525 -7.2424 -7.2424 3.1932 3.1932 3.1989 3.1989 3.7054 3.7054 3.7743 3.7743 4.9173 4.9173 5.0027 5.0027 5.6780 5.6780 5.7437 5.7437 6.1660 6.1660 6.3349 6.3349 8.8638 8.8638 8.8715 8.8715 8.9550 8.9550 8.9717 8.9717 9.6739 9.6739 9.7750 9.7750 10.6997 10.6997 10.8516 10.8516 13.8090 13.8090 14.0320 14.0320 14.3318 14.3318 14.4780 14.4780 k = 0.0784-0.0000 0.3455 ( 2332 PWs) bands (ev): -8.3633 -8.3633 -8.3503 -8.3503 -7.2597 -7.2597 -7.2481 -7.2481 3.2089 3.2089 3.2176 3.2176 3.6948 3.6948 3.7734 3.7734 4.9437 4.9437 5.0390 5.0390 5.6526 5.6526 5.7225 5.7225 6.1270 6.1270 6.3099 6.3099 8.8231 8.8231 8.8273 8.8273 8.9902 8.9902 9.0118 9.0118 9.6983 9.6983 9.8107 9.8107 10.6858 10.6858 10.8613 10.8613 13.7707 13.7707 14.0144 14.0144 14.3187 14.3187 14.4757 14.4757 k = 0.0882-0.0000 0.3455 ( 2336 PWs) bands (ev): -8.3518 -8.3518 -8.3372 -8.3372 -7.2676 -7.2676 -7.2546 -7.2546 3.2258 3.2258 3.2386 3.2386 3.6845 3.6845 3.7733 3.7733 4.9731 4.9731 5.0775 5.0775 5.6208 5.6208 5.6893 5.6893 6.0973 6.0973 6.2875 6.2875 8.7693 8.7693 8.7812 8.7812 9.0365 9.0365 9.0571 9.0571 9.7209 9.7209 9.8448 9.8448 10.6720 10.6720 10.8715 10.8715 13.7289 13.7289 13.9866 13.9866 14.3121 14.3121 14.4739 14.4739 k = 0.0980-0.0000 0.3455 ( 2336 PWs) bands (ev): -8.3389 -8.3389 -8.3228 -8.3228 -7.2763 -7.2763 -7.2618 -7.2618 3.2436 3.2436 3.2617 3.2617 3.6751 3.6751 3.7747 3.7747 5.0048 5.0048 5.1176 5.1176 5.5820 5.5820 5.6432 5.6432 6.0790 6.0790 6.2693 6.2693 8.7134 8.7134 8.7323 8.7323 9.0861 9.0861 9.1035 9.1035 9.7412 9.7412 9.8769 9.8769 10.6584 10.6584 10.8825 10.8825 13.6835 13.6835 13.9489 13.9489 14.3123 14.3123 14.4730 14.4730 k = 0.1078-0.0000 0.3455 ( 2332 PWs) bands (ev): -8.3248 -8.3248 -8.3072 -8.3072 -7.2857 -7.2857 -7.2697 -7.2697 3.2619 3.2619 3.2867 3.2867 3.6668 3.6668 3.7782 3.7782 5.0381 5.0381 5.1583 5.1583 5.5364 5.5364 5.5860 5.5860 6.0718 6.0718 6.2564 6.2564 8.6566 8.6566 8.6824 8.6824 9.1368 9.1368 9.1494 9.1494 9.7588 9.7588 9.9069 9.9069 10.6453 10.6453 10.8944 10.8944 13.6347 13.6347 13.9028 13.9028 14.3184 14.3184 14.4735 14.4735 k = 0.1176-0.0000 0.3455 ( 2336 PWs) bands (ev): -8.3094 -8.3094 -8.2903 -8.2903 -7.2957 -7.2957 -7.2782 -7.2782 3.2802 3.2802 3.3133 3.3133 3.6602 3.6602 3.7843 3.7843 5.0719 5.0719 5.1977 5.1977 5.4850 5.4850 5.5216 5.5216 6.0738 6.0738 6.2491 6.2491 8.5992 8.5992 8.6320 8.6320 9.1868 9.1868 9.1939 9.1939 9.7735 9.7735 9.9345 9.9345 10.6331 10.6331 10.9075 10.9075 13.5827 13.5827 13.8496 13.8496 14.3291 14.3291 14.4756 14.4756 k = 0.1275-0.0000 0.3455 ( 2332 PWs) bands (ev): -8.2928 -8.2928 -8.2724 -8.2724 -7.3063 -7.3063 -7.2873 -7.2873 3.2979 3.2979 3.3410 3.3410 3.6556 3.6556 3.7938 3.7938 5.1042 5.1042 5.2305 5.2305 5.4303 5.4303 5.4577 5.4577 6.0832 6.0832 6.2474 6.2474 8.5417 8.5417 8.5817 8.5817 9.2349 9.2349 9.2359 9.2359 9.7851 9.7851 9.9597 9.9597 10.6221 10.6221 10.9220 10.9220 13.5278 13.5278 13.7908 13.7908 14.3437 14.3437 14.4794 14.4794 k = 0.1373-0.0000 0.3455 ( 2342 PWs) bands (ev): -8.2752 -8.2752 -8.2533 -8.2533 -7.3175 -7.3175 -7.2970 -7.2970 3.3147 3.3147 3.3692 3.3692 3.6539 3.6539 3.8072 3.8072 5.1302 5.1302 5.2398 5.2398 5.3778 5.3778 5.4130 5.4130 6.0983 6.0983 6.2510 6.2510 8.4843 8.4843 8.5317 8.5317 9.2746 9.2746 9.2799 9.2799 9.7936 9.7936 9.9822 9.9822 10.6128 10.6128 10.9378 10.9378 13.4703 13.4703 13.7277 13.7277 14.3612 14.3612 14.4851 14.4851 k = 0.1471-0.0000 0.3455 ( 2350 PWs) bands (ev): -8.2564 -8.2564 -8.2333 -8.2333 -7.3292 -7.3292 -7.3071 -7.3071 3.3300 3.3300 3.3969 3.3969 3.6560 3.6560 3.8251 3.8251 5.1382 5.1382 5.2015 5.2015 5.3399 5.3399 5.4129 5.4129 6.1178 6.1178 6.2591 6.2591 8.4272 8.4272 8.4821 8.4821 9.3094 9.3094 9.3207 9.3207 9.7988 9.7988 10.0021 10.0021 10.6058 10.6058 10.9552 10.9552 13.4107 13.4107 13.6611 13.6611 14.3811 14.3811 14.4928 14.4928 k = 0.1569-0.0000 0.3455 ( 2350 PWs) bands (ev): -8.2367 -8.2367 -8.2123 -8.2123 -7.3413 -7.3413 -7.3177 -7.3177 3.3435 3.3435 3.4231 3.4231 3.6631 3.6631 3.8478 3.8478 5.1128 5.1128 5.1299 5.1299 5.3330 5.3330 5.4442 5.4442 6.1411 6.1411 6.2713 6.2713 8.3706 8.3706 8.4334 8.4334 9.3396 9.3396 9.3561 9.3561 9.8007 9.8007 10.0192 10.0192 10.6015 10.6015 10.9742 10.9742 13.3493 13.3493 13.5919 13.5919 14.4031 14.4031 14.5025 14.5025 k = 0.1667-0.0000 0.3455 ( 2342 PWs) bands (ev): -8.2160 -8.2160 -8.1904 -8.1904 -7.3538 -7.3538 -7.3286 -7.3286 3.3549 3.3549 3.4462 3.4462 3.6765 3.6765 3.8754 3.8754 5.0460 5.0460 5.0576 5.0576 5.3540 5.3540 5.4866 5.4866 6.1676 6.1676 6.2869 6.2869 8.3147 8.3147 8.3855 8.3855 9.3647 9.3647 9.3855 9.3855 9.7995 9.7995 10.0334 10.0334 10.6006 10.6006 10.9950 10.9950 13.2865 13.2865 13.5206 13.5206 14.4270 14.4270 14.5141 14.5141 k = 0.1765-0.0000 0.3455 ( 2346 PWs) bands (ev): -8.1945 -8.1945 -8.1678 -8.1678 -7.3667 -7.3667 -7.3398 -7.3398 3.3643 3.3643 3.4653 3.4653 3.6971 3.6971 3.9081 3.9081 4.9575 4.9575 4.9877 4.9877 5.3887 5.3887 5.5329 5.5329 6.1969 6.1969 6.3055 6.3055 8.2595 8.2595 8.3388 8.3388 9.3844 9.3844 9.4080 9.4080 9.7950 9.7950 10.0442 10.0442 10.6036 10.6036 11.0173 11.0173 13.2229 13.2229 13.4478 13.4478 14.4525 14.4525 14.5276 14.5276 k = 0.1863-0.0000 0.3455 ( 2346 PWs) bands (ev): -8.1722 -8.1722 -8.1445 -8.1445 -7.3799 -7.3799 -7.3512 -7.3512 3.3716 3.3716 3.4800 3.4800 3.7252 3.7252 3.9456 3.9456 4.8670 4.8670 4.9113 4.9113 5.4293 5.4293 5.5809 5.5809 6.2286 6.2286 6.3265 6.3265 8.2053 8.2053 8.2933 8.2933 9.3983 9.3983 9.4233 9.4233 9.7873 9.7873 10.0513 10.0513 10.6112 10.6112 11.0413 11.0413 13.1587 13.1587 13.3740 13.3740 14.4795 14.4795 14.5430 14.5430 k = 0.1961-0.0000 0.3455 ( 2350 PWs) bands (ev): -8.1493 -8.1493 -8.1207 -8.1207 -7.3933 -7.3933 -7.3628 -7.3628 3.3770 3.3770 3.4908 3.4908 3.7599 3.7599 3.9877 3.9877 4.7761 4.7761 4.8321 4.8321 5.4729 5.4729 5.6294 5.6294 6.2625 6.2625 6.3495 6.3495 8.1521 8.1521 8.2492 8.2492 9.4064 9.4064 9.4311 9.4311 9.7762 9.7762 10.0541 10.0541 10.6236 10.6236 11.0668 11.0668 13.0944 13.0944 13.2996 13.2996 14.5077 14.5077 14.5601 14.5601 k = 0.2059-0.0000 0.3455 ( 2354 PWs) bands (ev): -8.1257 -8.1257 -8.0963 -8.0963 -7.4068 -7.4068 -7.3744 -7.3744 3.3806 3.3806 3.4988 3.4988 3.8001 3.8001 4.0338 4.0338 4.6858 4.6858 4.7519 4.7519 5.5181 5.5181 5.6781 5.6781 6.2985 6.2985 6.3741 6.3741 8.1002 8.1002 8.2066 8.2066 9.4087 9.4087 9.4317 9.4317 9.7619 9.7619 10.0523 10.0523 10.6409 10.6409 11.0936 11.0936 13.0305 13.0305 13.2251 13.2251 14.5371 14.5371 14.5789 14.5789 k = 0.2157-0.0000 0.3455 ( 2354 PWs) bands (ev): -8.1017 -8.1017 -8.0717 -8.0717 -7.4204 -7.4204 -7.3860 -7.3860 3.3826 3.3826 3.5048 3.5048 3.8442 3.8442 4.0832 4.0832 4.5969 4.5969 4.6724 4.6724 5.5643 5.5643 5.7266 5.7266 6.3361 6.3361 6.3999 6.3999 8.0496 8.0496 8.1658 8.1658 9.4056 9.4056 9.4255 9.4255 9.7440 9.7440 10.0455 10.0455 10.6629 10.6629 11.1215 11.1215 12.9672 12.9672 13.1508 13.1508 14.5676 14.5676 14.5991 14.5991 k = 0.2255-0.0000 0.3455 ( 2350 PWs) bands (ev): -8.0773 -8.0773 -8.0468 -8.0468 -7.4340 -7.4340 -7.3975 -7.3975 3.3832 3.3832 3.5097 3.5097 3.8904 3.8904 4.1351 4.1351 4.5108 4.5108 4.5949 4.5949 5.6110 5.6110 5.7747 5.7747 6.3752 6.3752 6.4265 6.4265 8.0005 8.0005 8.1269 8.1269 9.3971 9.3971 9.4129 9.4129 9.7226 9.7226 10.0335 10.0335 10.6892 10.6892 11.1502 11.1502 12.9049 12.9049 13.0771 13.0771 14.5990 14.5990 14.6208 14.6208 k = 0.2353-0.0000 0.3455 ( 2342 PWs) bands (ev): -8.0526 -8.0526 -8.0219 -8.0219 -7.4475 -7.4475 -7.4088 -7.4088 3.3824 3.3824 3.5140 3.5140 3.9364 3.9364 4.1873 4.1873 4.4295 4.4295 4.5218 4.5218 5.6580 5.6580 5.8222 5.8222 6.4155 6.4155 6.4536 6.4536 7.9529 7.9529 8.0900 8.0900 9.3839 9.3839 9.3946 9.3946 9.6974 9.6974 10.0165 10.0165 10.7190 10.7190 11.1794 11.1794 12.8441 12.8441 13.0043 13.0043 14.6311 14.6311 14.6437 14.6437 k = 0.2451-0.0000 0.3455 ( 2342 PWs) bands (ev): -8.0278 -8.0278 -7.9970 -7.9970 -7.4609 -7.4609 -7.4197 -7.4197 3.3801 3.3801 3.5180 3.5180 3.9779 3.9779 4.2340 4.2340 4.3572 4.3572 4.4592 4.4592 5.7051 5.7051 5.8692 5.8692 6.4566 6.4566 6.4807 6.4807 7.9071 7.9071 8.0552 8.0552 9.3663 9.3663 9.3711 9.3711 9.6685 9.6685 9.9946 9.9946 10.7515 10.7515 11.2087 11.2087 12.7850 12.7850 12.9329 12.9329 14.6638 14.6638 14.6677 14.6677 k = 0.2549-0.0000 0.3455 ( 2338 PWs) bands (ev): -8.0029 -8.0029 -7.9724 -7.9724 -7.4740 -7.4740 -7.4302 -7.4302 3.3763 3.3763 3.5220 3.5220 4.0054 4.0054 4.2561 4.2561 4.3031 4.3031 4.4267 4.4267 5.7522 5.7522 5.9154 5.9154 6.4983 6.4983 6.5076 6.5076 7.8633 7.8633 8.0228 8.0228 9.3433 9.3433 9.3447 9.3447 9.6358 9.6358 9.9680 9.9680 10.7858 10.7858 11.2378 11.2378 12.7279 12.7279 12.8631 12.8631 14.6926 14.6926 14.6971 14.6971 k = 0.2647-0.0000 0.3455 ( 2346 PWs) bands (ev): -7.9782 -7.9782 -7.9483 -7.9483 -7.4868 -7.4868 -7.4401 -7.4401 3.3708 3.3708 3.5258 3.5258 4.0034 4.0034 4.2304 4.2304 4.2828 4.2828 4.4477 4.4477 5.7991 5.7991 5.9609 5.9609 6.5338 6.5338 6.5401 6.5401 7.8215 7.8215 7.9928 7.9928 9.3115 9.3115 9.3197 9.3197 9.5993 9.5993 9.9370 9.9370 10.8212 10.8212 11.2662 11.2662 12.6733 12.6733 12.7952 12.7952 14.7182 14.7182 14.7306 14.7306 k = 0.2745-0.0000 0.3455 ( 2342 PWs) bands (ev): -7.9538 -7.9538 -7.9247 -7.9247 -7.4992 -7.4992 -7.4492 -7.4492 3.3634 3.3634 3.5295 3.5295 3.9666 3.9666 4.1781 4.1781 4.3017 4.3017 4.5012 4.5012 5.8459 5.8459 6.0057 6.0057 6.5589 6.5589 6.5816 6.5816 7.7820 7.7820 7.9654 7.9654 9.2765 9.2765 9.2916 9.2916 9.5592 9.5592 9.9020 9.9020 10.8569 10.8569 11.2936 11.2936 12.6214 12.6214 12.7297 12.7297 14.7445 14.7445 14.7644 14.7644 k = 0.2843-0.0000 0.3455 ( 2342 PWs) bands (ev): -7.9298 -7.9298 -7.9021 -7.9021 -7.5109 -7.5109 -7.4574 -7.4574 3.3538 3.3538 3.5329 3.5329 3.9094 3.9094 4.1205 4.1205 4.3457 4.3457 4.5665 4.5665 5.8925 5.8925 6.0497 6.0497 6.5826 6.5826 6.6223 6.6223 7.7450 7.7450 7.9407 7.9407 9.2388 9.2388 9.2608 9.2608 9.5156 9.5156 9.8632 9.8632 10.8922 10.8922 11.3193 11.3193 12.5726 12.5726 12.6667 12.6667 14.7712 14.7712 14.7981 14.7981 k = 0.2941-0.0000 0.3455 ( 2346 PWs) bands (ev): -7.9065 -7.9065 -7.8805 -7.8805 -7.5220 -7.5220 -7.4646 -7.4646 3.3417 3.3417 3.5354 3.5354 3.8448 3.8448 4.0641 4.0641 4.4021 4.4021 4.6372 4.6372 5.9387 5.9387 6.0930 6.0930 6.6045 6.6045 6.6619 6.6619 7.7108 7.7108 7.9188 7.9188 9.1987 9.1987 9.2278 9.2278 9.4688 9.4688 9.8210 9.8210 10.9264 10.9264 11.3431 11.3431 12.5272 12.5272 12.6066 12.6066 14.7982 14.7982 14.8317 14.8317 k = 0.3039-0.0000 0.3455 ( 2344 PWs) bands (ev): -7.8840 -7.8840 -7.8603 -7.8603 -7.5322 -7.5322 -7.4704 -7.4704 3.3267 3.3267 3.5361 3.5361 3.7798 3.7798 4.0115 4.0115 4.4647 4.4647 4.7112 4.7112 5.9845 5.9845 6.1356 6.1356 6.6243 6.6243 6.6996 6.6996 7.6796 7.6796 7.8998 7.8998 9.1568 9.1568 9.1930 9.1930 9.4190 9.4190 9.7757 9.7757 10.9591 10.9591 11.3645 11.3645 12.4855 12.4855 12.5497 12.5497 14.8253 14.8253 14.8651 14.8651 k = 0.3137-0.0000 0.3455 ( 2340 PWs) bands (ev): -7.8626 -7.8626 -7.8416 -7.8416 -7.5413 -7.5413 -7.4748 -7.4748 3.3085 3.3085 3.5327 3.5327 3.7193 3.7193 3.9637 3.9637 4.5311 4.5311 4.7876 4.7876 6.0300 6.0300 6.1773 6.1773 6.6417 6.6417 6.7351 6.7351 7.6519 7.6519 7.8837 7.8837 9.1136 9.1136 9.1565 9.1565 9.3667 9.3667 9.7277 9.7277 10.9898 10.9898 11.3832 11.3832 12.4478 12.4478 12.4962 12.4962 14.8523 14.8523 14.8980 14.8980 k = 0.3235-0.0000 0.3455 ( 2336 PWs) bands (ev): -7.8427 -7.8427 -7.8248 -7.8248 -7.5492 -7.5492 -7.4775 -7.4775 3.2871 3.2871 3.5201 3.5201 3.6695 3.6695 3.9216 3.9216 4.5998 4.5998 4.8656 4.8656 6.0749 6.0749 6.2182 6.2182 6.6563 6.6563 6.7676 6.7676 7.6279 7.6279 7.8703 7.8703 9.0693 9.0693 9.1187 9.1187 9.3123 9.3123 9.6773 9.6773 11.0181 11.0181 11.3987 11.3987 12.4143 12.4143 12.4464 12.4464 14.8790 14.8790 14.9303 14.9303 k = 0.3333-0.0000 0.3455 ( 2342 PWs) bands (ev): -7.8244 -7.8244 -7.8101 -7.8101 -7.5556 -7.5556 -7.4784 -7.4784 3.2625 3.2625 3.4917 3.4917 3.6378 3.6378 3.8852 3.8852 4.6699 4.6699 4.9450 4.9450 6.1193 6.1193 6.2583 6.2583 6.6681 6.6681 6.7967 6.7967 7.6080 7.6080 7.8597 7.8597 9.0245 9.0245 9.0798 9.0798 9.2561 9.2561 9.6250 9.6250 11.0438 11.0438 11.4108 11.4108 12.3852 12.3852 12.4006 12.4006 14.9053 14.9053 14.9619 14.9619 k = 0.3431-0.0000 0.3455 ( 2338 PWs) bands (ev): -7.8080 -7.8080 -7.7976 -7.7976 -7.5602 -7.5602 -7.4775 -7.4775 3.2350 3.2350 3.4481 3.4481 3.6239 3.6239 3.8545 3.8545 4.7409 4.7409 5.0254 5.0254 6.1631 6.1631 6.2974 6.2974 6.6769 6.6769 6.8218 6.8218 7.5925 7.5925 7.8516 7.8516 8.9795 8.9795 9.0401 9.0401 9.1988 9.1988 9.5710 9.5710 11.0664 11.0664 11.4195 11.4195 12.3589 12.3589 12.3606 12.3606 14.9311 14.9311 14.9926 14.9926 k = 0.3529-0.0000 0.3455 ( 2340 PWs) bands (ev): -7.7940 -7.7940 -7.7873 -7.7873 -7.5628 -7.5628 -7.4746 -7.4746 3.2051 3.2051 3.3970 3.3970 3.6204 3.6204 3.8293 3.8293 4.8122 4.8122 5.1064 5.1064 6.2060 6.2060 6.3354 6.3354 6.6826 6.6826 6.8425 6.8425 7.5817 7.5817 7.8457 7.8457 8.9348 8.9348 8.9998 8.9998 9.1408 9.1408 9.5158 9.5158 11.0860 11.0860 11.4246 11.4246 12.3214 12.3214 12.3405 12.3405 14.9562 14.9562 15.0223 15.0223 k = 0.3627-0.0000 0.3455 ( 2340 PWs) bands (ev): -7.7825 -7.7825 -7.7792 -7.7792 -7.5633 -7.5633 -7.4700 -7.4700 3.1734 3.1734 3.3442 3.3442 3.6217 3.6217 3.8088 3.8088 4.8834 4.8834 5.1877 5.1877 6.2480 6.2480 6.3723 6.3723 6.6852 6.6852 6.8586 6.8586 7.5756 7.5756 7.8417 7.8417 8.8910 8.8910 8.9590 8.9590 9.0829 9.0829 9.4598 9.4598 11.1024 11.1024 11.4264 11.4264 12.2881 12.2881 12.3245 12.3245 14.9804 14.9804 15.0507 15.0507 k = 0.3725-0.0000 0.3455 ( 2340 PWs) bands (ev): -7.7736 -7.7736 -7.7732 -7.7732 -7.5616 -7.5616 -7.4639 -7.4639 3.1407 3.1407 3.2923 3.2923 3.6252 3.6252 3.7926 3.7926 4.9539 4.9539 5.2689 5.2689 6.2887 6.2887 6.4078 6.4078 6.6850 6.6850 6.8699 6.8699 7.5741 7.5741 7.8390 7.8390 8.8484 8.8484 8.9177 8.9177 9.0259 9.0259 9.4035 9.4035 11.1156 11.1156 11.4251 11.4251 12.2592 12.2592 12.3125 12.3125 15.0036 15.0036 15.0779 15.0779 k = 0.3824-0.0000 0.3455 ( 2348 PWs) bands (ev): -7.7690 -7.7690 -7.7672 -7.7672 -7.5579 -7.5579 -7.4565 -7.4565 3.1078 3.1078 3.2427 3.2427 3.6298 3.6298 3.7799 3.7799 5.0235 5.0235 5.3497 5.3497 6.3279 6.3279 6.4417 6.4417 6.6822 6.6822 6.8769 6.8769 7.5768 7.5768 7.8372 7.8372 8.8078 8.8078 8.8759 8.8759 8.9706 8.9706 9.3473 9.3473 11.1257 11.1257 11.4212 11.4212 12.2343 12.2343 12.3041 12.3041 15.0256 15.0256 15.1035 15.1035 k = 0.3922-0.0000 0.3455 ( 2350 PWs) bands (ev): -7.7664 -7.7664 -7.7631 -7.7631 -7.5524 -7.5524 -7.4483 -7.4483 3.0754 3.0754 3.1961 3.1961 3.6349 3.6349 3.7702 3.7702 5.0914 5.0914 5.4297 5.4297 6.3649 6.3649 6.4738 6.4738 6.6772 6.6772 6.8800 6.8800 7.5832 7.5832 7.8357 7.8357 8.7698 8.7698 8.8335 8.8335 8.9182 8.9182 9.2917 9.2917 11.1330 11.1330 11.4150 11.4150 12.2134 12.2134 12.2987 12.2987 15.0464 15.0464 15.1277 15.1277 k = 0.4020-0.0000 0.3455 ( 2362 PWs) bands (ev): -7.7650 -7.7650 -7.7608 -7.7608 -7.5457 -7.5457 -7.4395 -7.4395 3.0440 3.0440 3.1527 3.1527 3.6401 3.6401 3.7628 3.7628 5.1572 5.1572 5.5083 5.5083 6.3990 6.3990 6.5038 6.5038 6.6708 6.6708 6.8797 6.8797 7.5925 7.5925 7.8339 7.8339 8.7349 8.7349 8.7905 8.7905 8.8694 8.8694 9.2372 9.2372 11.1377 11.1377 11.4073 11.4073 12.1961 12.1961 12.2958 12.2958 15.0657 15.0657 15.1501 15.1501 k = 0.4118-0.0000 0.3455 ( 2362 PWs) bands (ev): -7.7645 -7.7645 -7.7600 -7.7600 -7.5382 -7.5382 -7.4305 -7.4305 3.0143 3.0143 3.1129 3.1129 3.6452 3.6452 3.7573 3.7573 5.2203 5.2203 5.5852 5.5852 6.4289 6.4289 6.5313 6.5313 6.6643 6.6643 6.8772 6.8772 7.6039 7.6039 7.8313 7.8313 8.7040 8.7040 8.7472 8.7472 8.8251 8.8251 9.1842 9.1842 11.1403 11.1403 11.3984 11.3984 12.1821 12.1821 12.2949 12.2949 15.0836 15.0836 15.1708 15.1708 k = 0.4216-0.0000 0.3455 ( 2354 PWs) bands (ev): -7.7647 -7.7647 -7.7602 -7.7602 -7.5304 -7.5304 -7.4217 -7.4217 2.9867 2.9867 3.0769 3.0769 3.6501 3.6501 3.7532 3.7532 5.2800 5.2800 5.6598 5.6598 6.4527 6.4527 6.5558 6.5558 6.6593 6.6593 6.8731 6.8731 7.6165 7.6165 7.8275 7.8275 8.6775 8.6775 8.7045 8.7045 8.7854 8.7854 9.1333 9.1333 11.1411 11.1411 11.3889 11.3889 12.1710 12.1710 12.2955 12.2955 15.0999 15.0999 15.1896 15.1896 k = 0.4314-0.0000 0.3455 ( 2350 PWs) bands (ev): -7.7654 -7.7654 -7.7611 -7.7611 -7.5227 -7.5227 -7.4133 -7.4133 2.9617 2.9617 3.0448 3.0448 3.6547 3.6547 3.7503 3.7503 5.3355 5.3355 5.7315 5.7315 6.4679 6.4679 6.5771 6.5771 6.6582 6.6582 6.8685 6.8685 7.6296 7.6296 7.8222 7.8222 8.6558 8.6558 8.6636 8.6636 8.7502 8.7502 9.0851 9.0851 11.1405 11.1405 11.3794 11.3794 12.1624 12.1624 12.2971 12.2971 15.1145 15.1145 15.2064 15.2064 k = 0.4412-0.0000 0.3455 ( 2346 PWs) bands (ev): -7.7663 -7.7663 -7.7623 -7.7623 -7.5155 -7.5155 -7.4056 -7.4056 2.9394 2.9394 3.0168 3.0168 3.6589 3.6589 3.7483 3.7483 5.3861 5.3861 5.7995 5.7995 6.4729 6.4729 6.5947 6.5947 6.6626 6.6626 6.8641 6.8641 7.6424 7.6424 7.8155 7.8155 8.6258 8.6258 8.6393 8.6393 8.7191 8.7191 9.0401 9.0401 11.1391 11.1391 11.3703 11.3703 12.1559 12.1559 12.2993 12.2993 15.1273 15.1273 15.2211 15.2211 k = 0.4510-0.0000 0.3455 ( 2346 PWs) bands (ev): -7.7673 -7.7673 -7.7637 -7.7637 -7.5090 -7.5090 -7.3988 -7.3988 2.9201 2.9201 2.9929 2.9929 3.6625 3.6625 3.7469 3.7469 5.4310 5.4310 5.8628 5.8628 6.4679 6.4679 6.6085 6.6085 6.6721 6.6721 6.8606 6.8606 7.6542 7.6542 7.8078 7.8078 8.5923 8.5923 8.6277 8.6277 8.6923 8.6923 8.9992 8.9992 11.1371 11.1371 11.3619 11.3619 12.1511 12.1511 12.3018 12.3018 15.1383 15.1383 15.2337 15.2337 k = 0.4608-0.0000 0.3455 ( 2344 PWs) bands (ev): -7.7683 -7.7683 -7.7650 -7.7650 -7.5034 -7.5034 -7.3930 -7.3930 2.9041 2.9041 2.9733 2.9733 3.6655 3.6655 3.7460 3.7460 5.4693 5.4693 5.9203 5.9203 6.4555 6.4555 6.6186 6.6186 6.6846 6.6846 6.8583 6.8583 7.6646 7.6646 7.7996 7.7996 8.5638 8.5638 8.6207 8.6207 8.6697 8.6697 8.9631 8.9631 11.1349 11.1349 11.3546 11.3546 12.1477 12.1477 12.3041 12.3041 15.1474 15.1474 15.2441 15.2441 k = 0.4706-0.0000 0.3455 ( 2336 PWs) bands (ev): -7.7691 -7.7691 -7.7662 -7.7662 -7.4989 -7.4989 -7.3884 -7.3884 2.8915 2.8915 2.9579 2.9579 3.6679 3.6679 3.7454 3.7454 5.5001 5.5001 5.9701 5.9701 6.4392 6.4392 6.6254 6.6254 6.6972 6.6972 6.8571 6.8571 7.6730 7.6730 7.7919 7.7919 8.5412 8.5412 8.6174 8.6174 8.6517 8.6517 8.9329 8.9329 11.1329 11.1329 11.3487 11.3487 12.1453 12.1453 12.3062 12.3062 15.1545 15.1545 15.2523 15.2523 k = 0.4804-0.0000 0.3455 ( 2336 PWs) bands (ev): -7.7697 -7.7697 -7.7671 -7.7671 -7.4956 -7.4956 -7.3850 -7.3850 2.8824 2.8824 2.9469 2.9469 3.6697 3.6697 3.7450 3.7450 5.5228 5.5228 6.0098 6.0098 6.4228 6.4228 6.6294 6.6294 6.7076 6.7076 6.8568 6.8568 7.6792 7.6792 7.7855 7.7855 8.5247 8.5247 8.6165 8.6165 8.6386 8.6386 8.9099 8.9099 11.1313 11.1313 11.3443 11.3443 12.1438 12.1438 12.3078 12.3078 15.1596 15.1596 15.2581 15.2581 k = 0.4902-0.0000 0.3455 ( 2336 PWs) bands (ev): -7.7702 -7.7702 -7.7676 -7.7676 -7.4935 -7.4935 -7.3829 -7.3829 2.8770 2.8770 2.9403 2.9403 3.6707 3.6707 3.7448 3.7448 5.5367 5.5367 6.0360 6.0360 6.4104 6.4104 6.6315 6.6315 6.7144 6.7144 6.8568 6.8568 7.6830 7.6830 7.7813 7.7813 8.5147 8.5147 8.6167 8.6167 8.6305 8.6305 8.8953 8.8953 11.1303 11.1303 11.3417 11.3417 12.1430 12.1430 12.3089 12.3089 15.1626 15.1626 15.2616 15.2616 k = 0.5000-0.0000 0.3455 ( 2332 PWs) bands (ev): -7.7703 -7.7703 -7.7678 -7.7678 -7.4929 -7.4929 -7.3823 -7.3823 2.8751 2.8751 2.9381 2.9381 3.6711 3.6711 3.7448 3.7448 5.5413 5.5413 6.0452 6.0452 6.4058 6.4058 6.6321 6.6321 6.7168 6.7168 6.8569 6.8569 7.6843 7.6843 7.7798 7.7798 8.5114 8.5114 8.6169 8.6169 8.6279 8.6279 8.8903 8.8903 11.1299 11.1299 11.3408 11.3408 12.1427 12.1427 12.3092 12.3092 15.1637 15.1637 15.2628 15.2628 k = 0.5000-0.0000 0.3455 ( 2332 PWs) bands (ev): -7.7703 -7.7703 -7.7678 -7.7678 -7.4929 -7.4929 -7.3823 -7.3823 2.8751 2.8751 2.9381 2.9381 3.6711 3.6711 3.7448 3.7448 5.5413 5.5413 6.0452 6.0452 6.4058 6.4058 6.6321 6.6321 6.7168 6.7168 6.8569 6.8569 7.6843 7.6843 7.7798 7.7798 8.5114 8.5114 8.6169 8.6169 8.6279 8.6279 8.8903 8.8903 11.1299 11.1299 11.3408 11.3408 12.1427 12.1427 12.3092 12.3092 15.1637 15.1637 15.2628 15.2628 k = 0.5000 0.0097 0.3455 ( 2332 PWs) bands (ev): -7.7702 -7.7702 -7.7676 -7.7676 -7.4930 -7.4930 -7.3824 -7.3824 2.8757 2.8757 2.9388 2.9388 3.6713 3.6713 3.7452 3.7452 5.5395 5.5395 6.0415 6.0415 6.3966 6.3966 6.6192 6.6192 6.7268 6.7268 6.8688 6.8688 7.6859 7.6859 7.7812 7.7812 8.5116 8.5116 8.6173 8.6173 8.6293 8.6293 8.8914 8.8914 11.1305 11.1305 11.3414 11.3414 12.1429 12.1429 12.3089 12.3089 15.1623 15.1623 15.2613 15.2613 k = 0.5000 0.0194 0.3455 ( 2336 PWs) bands (ev): -7.7698 -7.7698 -7.7671 -7.7671 -7.4933 -7.4933 -7.3829 -7.3829 2.8774 2.8774 2.9409 2.9409 3.6721 3.6721 3.7465 3.7465 5.5339 5.5339 6.0302 6.0302 6.3725 6.3725 6.5865 6.5865 6.7534 6.7534 6.8982 6.8982 7.6909 7.6909 7.7852 7.7852 8.5125 8.5125 8.6182 8.6182 8.6336 8.6336 8.8948 8.8948 11.1321 11.1321 11.3434 11.3434 12.1435 12.1435 12.3081 12.3081 15.1582 15.1582 15.2566 15.2566 k = 0.5000 0.0291 0.3455 ( 2344 PWs) bands (ev): -7.7692 -7.7692 -7.7663 -7.7663 -7.4939 -7.4939 -7.3838 -7.3838 2.8802 2.8802 2.9444 2.9444 3.6733 3.6733 3.7486 3.7486 5.5245 5.5245 6.0108 6.0108 6.3407 6.3407 6.5436 6.5436 6.7900 6.7900 6.9356 6.9356 7.6992 7.6992 7.7919 7.7919 8.5139 8.5139 8.6199 8.6199 8.6408 8.6408 8.9003 8.9003 11.1346 11.1346 11.3467 11.3467 12.1447 12.1447 12.3067 12.3067 15.1513 15.1513 15.2489 15.2489 k = 0.5000 0.0389 0.3455 ( 2344 PWs) bands (ev): -7.7683 -7.7683 -7.7651 -7.7651 -7.4947 -7.4947 -7.3850 -7.3850 2.8841 2.8841 2.9493 2.9493 3.6750 3.6750 3.7516 3.7516 5.5113 5.5113 5.9829 5.9829 6.3066 6.3066 6.4962 6.4962 6.8314 6.8314 6.9752 6.9752 7.7110 7.7110 7.8013 7.8013 8.5159 8.5159 8.6221 8.6221 8.6508 8.6508 8.9082 8.9082 11.1380 11.1380 11.3510 11.3510 12.1464 12.1464 12.3050 12.3050 15.1418 15.1418 15.2382 15.2382 k = 0.5000 0.0486 0.3455 ( 2348 PWs) bands (ev): -7.7672 -7.7672 -7.7635 -7.7635 -7.4958 -7.4958 -7.3865 -7.3865 2.8892 2.8892 2.9556 2.9556 3.6772 3.6772 3.7554 3.7554 5.4944 5.4944 5.9462 5.9462 6.2739 6.2739 6.4471 6.4471 6.8745 6.8745 7.0141 7.0141 7.7263 7.7263 7.8132 7.8132 8.5187 8.5187 8.6250 8.6250 8.6636 8.6636 8.9184 8.9184 11.1419 11.1419 11.3562 11.3562 12.1491 12.1491 12.3032 12.3032 15.1295 15.1295 15.2245 15.2245 k = 0.5000 0.0583 0.3455 ( 2344 PWs) bands (ev): -7.7659 -7.7659 -7.7617 -7.7617 -7.4971 -7.4971 -7.3884 -7.3884 2.8954 2.8954 2.9632 2.9632 3.6798 3.6798 3.7600 3.7600 5.4737 5.4737 5.9013 5.9013 6.2438 6.2438 6.3978 6.3978 6.9173 6.9173 7.0508 7.0508 7.7452 7.7452 7.8277 7.8277 8.5222 8.5222 8.6285 8.6285 8.6792 8.6792 8.9312 8.9312 11.1461 11.1461 11.3621 11.3621 12.1527 12.1527 12.3013 12.3013 15.1147 15.1147 15.2078 15.2078 k = 0.5000 0.0680 0.3455 ( 2340 PWs) bands (ev): -7.7643 -7.7643 -7.7594 -7.7594 -7.4986 -7.4986 -7.3906 -7.3906 2.9027 2.9027 2.9723 2.9723 3.6828 3.6828 3.7654 3.7654 5.4492 5.4492 5.8494 5.8494 6.2166 6.2166 6.3492 6.3492 6.9586 6.9586 7.0843 7.0843 7.7677 7.7677 7.8447 7.8447 8.5264 8.5264 8.6326 8.6326 8.6976 8.6976 8.9464 8.9464 11.1502 11.1502 11.3682 11.3682 12.1577 12.1577 12.2999 12.2999 15.0971 15.0971 15.1881 15.1881 k = 0.5000 0.0777 0.3455 ( 2336 PWs) bands (ev): -7.7625 -7.7625 -7.7569 -7.7569 -7.5003 -7.5003 -7.3931 -7.3931 2.9112 2.9112 2.9828 2.9828 3.6861 3.6861 3.7717 3.7717 5.4211 5.4211 5.7917 5.7917 6.1917 6.1917 6.3019 6.3019 6.9977 6.9977 7.1141 7.1141 7.7934 7.7934 7.8638 7.8638 8.5314 8.5314 8.6372 8.6372 8.7189 8.7189 8.9644 8.9644 11.1538 11.1538 11.3744 11.3744 12.1643 12.1643 12.2991 12.2991 15.0770 15.0770 15.1655 15.1655 k = 0.5000 0.0874 0.3455 ( 2340 PWs) bands (ev): -7.7604 -7.7604 -7.7541 -7.7541 -7.5022 -7.5022 -7.3959 -7.3959 2.9208 2.9208 2.9947 2.9947 3.6898 3.6898 3.7786 3.7786 5.3894 5.3894 5.7297 5.7297 6.1684 6.1684 6.2563 6.2563 7.0341 7.0341 7.1402 7.1402 7.8220 7.8220 7.8851 7.8851 8.5371 8.5371 8.6422 8.6422 8.7430 8.7430 8.9851 8.9851 11.1566 11.1566 11.3800 11.3800 12.1729 12.1729 12.2994 12.2994 15.0542 15.0542 15.1401 15.1401 k = 0.5000 0.0971 0.3455 ( 2344 PWs) bands (ev): -7.7582 -7.7582 -7.7509 -7.7509 -7.5043 -7.5043 -7.3991 -7.3991 2.9314 2.9314 3.0079 3.0079 3.6938 3.6938 3.7864 3.7864 5.3542 5.3542 5.6645 5.6645 6.1462 6.1462 6.2127 6.2127 7.0674 7.0674 7.1626 7.1626 7.8531 7.8531 7.9082 7.9082 8.5435 8.5435 8.6476 8.6476 8.7701 8.7701 9.0088 9.0088 11.1580 11.1580 11.3845 11.3845 12.1837 12.1837 12.3012 12.3012 15.0290 15.0290 15.1118 15.1118 k = 0.5000 0.1069 0.3455 ( 2344 PWs) bands (ev): -7.7557 -7.7557 -7.7475 -7.7475 -7.5067 -7.5067 -7.4025 -7.4025 2.9433 2.9433 3.0226 3.0226 3.6980 3.6980 3.7948 3.7948 5.3160 5.3160 5.5969 5.5969 6.1245 6.1245 6.1712 6.1712 7.0977 7.0977 7.1814 7.1814 7.8859 7.8859 7.9328 7.9328 8.5505 8.5505 8.6534 8.6534 8.8002 8.8002 9.0355 9.0355 11.1577 11.1577 11.3876 11.3876 12.1972 12.1972 12.3050 12.3050 15.0013 15.0013 15.0809 15.0809 k = 0.5000 0.1166 0.3455 ( 2336 PWs) bands (ev): -7.7530 -7.7530 -7.7437 -7.7437 -7.5092 -7.5092 -7.4063 -7.4063 2.9562 2.9562 3.0387 3.0387 3.7024 3.7024 3.8040 3.8040 5.2748 5.2748 5.5278 5.5278 6.1031 6.1031 6.1319 6.1319 7.1248 7.1248 7.1972 7.1972 7.9200 7.9200 7.9586 7.9586 8.5580 8.5580 8.6593 8.6593 8.8334 8.8334 9.0653 9.0653 11.1552 11.1552 11.3887 11.3887 12.2136 12.2136 12.3112 12.3112 14.9712 14.9712 15.0473 15.0473 k = 0.5000 0.1263 0.3455 ( 2336 PWs) bands (ev): -7.7500 -7.7500 -7.7397 -7.7397 -7.5119 -7.5119 -7.4103 -7.4103 2.9702 2.9702 3.0562 3.0562 3.7069 3.7069 3.8138 3.8138 5.2311 5.2311 5.4575 5.4575 6.0818 6.0818 6.0947 6.0947 7.1489 7.1489 7.2103 7.2103 7.9546 7.9546 7.9853 7.9853 8.5660 8.5660 8.6654 8.6654 8.8696 8.8696 9.0982 9.0982 11.1501 11.1501 11.3872 11.3872 12.2331 12.2331 12.3203 12.3203 14.9387 14.9387 15.0112 15.0112 k = 0.5000 0.1360 0.3455 ( 2340 PWs) bands (ev): -7.7469 -7.7469 -7.7354 -7.7354 -7.5148 -7.5148 -7.4146 -7.4146 2.9854 2.9854 3.0750 3.0750 3.7114 3.7114 3.8242 3.8242 5.1851 5.1851 5.3866 5.3866 6.0595 6.0595 6.0604 6.0604 7.1701 7.1701 7.2210 7.2210 7.9891 7.9891 8.0125 8.0125 8.5745 8.5745 8.6715 8.6715 8.9090 8.9090 9.1343 9.1343 11.1422 11.1422 11.3826 11.3826 12.2560 12.2560 12.3328 12.3328 14.9040 14.9040 14.9726 14.9726 k = 0.5000 0.1457 0.3455 ( 2344 PWs) bands (ev): -7.7437 -7.7437 -7.7309 -7.7309 -7.5178 -7.5178 -7.4192 -7.4192 3.0016 3.0016 3.0953 3.0953 3.7158 3.7158 3.8352 3.8352 5.1373 5.1373 5.3154 5.3154 6.0264 6.0264 6.0389 6.0389 7.1886 7.1886 7.2297 7.2297 8.0232 8.0232 8.0399 8.0399 8.5832 8.5832 8.6776 8.6776 8.9513 8.9513 9.1735 9.1735 11.1313 11.1313 11.3746 11.3746 12.2823 12.2823 12.3488 12.3488 14.8671 14.8671 14.9316 14.9316 k = 0.5000 0.1554 0.3455 ( 2336 PWs) bands (ev): -7.7402 -7.7402 -7.7262 -7.7262 -7.5210 -7.5210 -7.4241 -7.4241 3.0189 3.0189 3.1169 3.1169 3.7201 3.7201 3.8467 3.8467 5.0882 5.0882 5.2441 5.2441 5.9952 5.9952 6.0174 6.0174 7.2046 7.2046 7.2369 7.2369 8.0562 8.0562 8.0672 8.0672 8.5922 8.5922 8.6837 8.6837 8.9966 8.9966 9.2156 9.2156 11.1172 11.1172 11.3630 11.3630 12.3121 12.3121 12.3687 12.3687 14.8282 14.8282 14.8885 14.8885 k = 0.5000 0.1651 0.3455 ( 2336 PWs) bands (ev): -7.7365 -7.7365 -7.7212 -7.7212 -7.5243 -7.5243 -7.4292 -7.4292 3.0373 3.0373 3.1399 3.1399 3.7242 3.7242 3.8587 3.8587 5.0379 5.0379 5.1729 5.1729 5.9657 5.9657 5.9959 5.9959 7.2184 7.2184 7.2427 7.2427 8.0880 8.0880 8.0941 8.0941 8.6015 8.6015 8.6896 8.6896 9.0446 9.0446 9.2607 9.2607 11.0997 11.0997 11.3474 11.3474 12.3453 12.3453 12.3926 12.3926 14.7872 14.7872 14.8432 14.8432 k = 0.5000 0.1748 0.3455 ( 2340 PWs) bands (ev): -7.7327 -7.7327 -7.7160 -7.7160 -7.5277 -7.5277 -7.4346 -7.4346 3.0567 3.0567 3.1642 3.1642 3.7280 3.7280 3.8711 3.8711 4.9870 4.9870 5.1022 5.1022 5.9380 5.9380 5.9744 5.9744 7.2302 7.2302 7.2474 7.2474 8.1183 8.1183 8.1203 8.1203 8.6108 8.6108 8.6954 8.6954 9.0952 9.0952 9.3084 9.3084 11.0790 11.0790 11.3279 11.3279 12.3817 12.3817 12.4203 12.4203 14.7444 14.7444 14.7959 14.7959 k = 0.5000 0.1846 0.3455 ( 2340 PWs) bands (ev): -7.7287 -7.7287 -7.7107 -7.7107 -7.5313 -7.5313 -7.4401 -7.4401 3.0771 3.0771 3.1899 3.1899 3.7313 3.7313 3.8838 3.8838 4.9358 4.9358 5.0320 5.0320 5.9118 5.9118 5.9530 5.9530 7.2401 7.2401 7.2513 7.2513 8.1458 8.1458 8.1469 8.1469 8.6203 8.6203 8.7009 8.7009 9.1481 9.1481 9.3586 9.3586 11.0550 11.0550 11.3044 11.3044 12.4212 12.4212 12.4518 12.4518 14.6998 14.6998 14.7468 14.7468 k = 0.5000 0.1943 0.3455 ( 2336 PWs) bands (ev): -7.7246 -7.7246 -7.7052 -7.7052 -7.5349 -7.5349 -7.4459 -7.4459 3.0986 3.0986 3.2168 3.2168 3.7341 3.7341 3.8969 3.8969 4.8846 4.8846 4.9625 4.9625 5.8872 5.8872 5.9318 5.9318 7.2485 7.2485 7.2545 7.2545 8.1702 8.1702 8.1738 8.1738 8.6298 8.6298 8.7063 8.7063 9.2031 9.2031 9.4111 9.4111 11.0280 11.0280 11.2772 11.2772 12.4636 12.4636 12.4869 12.4869 14.6537 14.6537 14.6962 14.6962 k = 0.5000 0.2040 0.3455 ( 2336 PWs) bands (ev): -7.7204 -7.7204 -7.6997 -7.6997 -7.5385 -7.5385 -7.4519 -7.4519 3.1209 3.1209 3.2450 3.2450 3.7362 3.7362 3.9102 3.9102 4.8338 4.8338 4.8939 4.8939 5.8640 5.8640 5.9110 5.9110 7.2555 7.2555 7.2572 7.2572 8.1934 8.1934 8.1988 8.1988 8.6392 8.6392 8.7114 8.7114 9.2600 9.2600 9.4656 9.4656 10.9980 10.9980 11.2464 11.2464 12.5085 12.5085 12.5252 12.5252 14.6060 14.6060 14.6440 14.6440 k = 0.5000 0.2137 0.3455 ( 2328 PWs) bands (ev): -7.7160 -7.7160 -7.6940 -7.6940 -7.5421 -7.5421 -7.4581 -7.4581 3.1442 3.1442 3.2743 3.2743 3.7376 3.7376 3.9236 3.9236 4.7836 4.7836 4.8265 4.8265 5.8424 5.8424 5.8905 5.8905 7.2594 7.2594 7.2612 7.2612 8.2154 8.2154 8.2220 8.2220 8.6485 8.6485 8.7162 8.7162 9.3184 9.3184 9.5218 9.5218 10.9653 10.9653 11.2121 11.2121 12.5555 12.5555 12.5665 12.5665 14.5572 14.5572 14.5907 14.5907 k = 0.5000 0.2234 0.3455 ( 2332 PWs) bands (ev): -7.7115 -7.7115 -7.6884 -7.6884 -7.5457 -7.5457 -7.4644 -7.4644 3.1684 3.1684 3.3046 3.3046 3.7382 3.7382 3.9369 3.9369 4.7345 4.7345 4.7603 4.7603 5.8222 5.8222 5.8706 5.8706 7.2614 7.2614 7.2659 7.2659 8.2361 8.2361 8.2433 8.2433 8.6578 8.6578 8.7207 8.7207 9.3781 9.3781 9.5794 9.5794 10.9300 10.9300 11.1747 11.1747 12.6044 12.6044 12.6102 12.6102 14.5072 14.5072 14.5363 14.5363 k = 0.5000 0.2331 0.3455 ( 2336 PWs) bands (ev): -7.7070 -7.7070 -7.6828 -7.6828 -7.5492 -7.5492 -7.4709 -7.4709 3.1933 3.1933 3.3359 3.3359 3.7379 3.7379 3.9501 3.9501 4.6865 4.6865 4.6955 4.6955 5.8035 5.8035 5.8513 5.8513 7.2631 7.2631 7.2697 7.2697 8.2553 8.2553 8.2628 8.2628 8.6668 8.6668 8.7250 8.7250 9.4389 9.4389 9.6381 9.6381 10.8924 10.8924 11.1344 11.1344 12.6546 12.6546 12.6561 12.6561 14.4565 14.4565 14.4813 14.4813 k = 0.5000 0.2428 0.3455 ( 2336 PWs) bands (ev): -7.7024 -7.7024 -7.6773 -7.6773 -7.5526 -7.5526 -7.4775 -7.4775 3.2189 3.2189 3.3680 3.3680 3.7368 3.7368 3.9629 3.9629 4.6326 4.6326 4.6401 4.6401 5.7864 5.7864 5.8327 5.8327 7.2646 7.2646 7.2726 7.2726 8.2731 8.2731 8.2806 8.2806 8.6755 8.6755 8.7288 8.7288 9.5004 9.5004 9.6977 9.6977 10.8528 10.8528 11.0915 11.0915 12.7036 12.7036 12.7059 12.7059 14.4052 14.4052 14.4260 14.4260 k = 0.5000 0.2526 0.3455 ( 2336 PWs) bands (ev): -7.6977 -7.6977 -7.6720 -7.6720 -7.5557 -7.5557 -7.4842 -7.4842 3.2452 3.2452 3.4004 3.4004 3.7351 3.7351 3.9750 3.9750 4.5718 4.5718 4.5955 4.5955 5.7707 5.7707 5.8150 5.8150 7.2660 7.2660 7.2749 7.2749 8.2894 8.2894 8.2966 8.2966 8.6839 8.6839 8.7323 8.7323 9.5623 9.5623 9.7577 9.7577 10.8114 10.8114 11.0462 11.0462 12.7522 12.7522 12.7576 12.7576 14.3538 14.3538 14.3706 14.3706 k = 0.5000 0.2623 0.3455 ( 2340 PWs) bands (ev): -7.6931 -7.6931 -7.6670 -7.6670 -7.5585 -7.5585 -7.4909 -7.4909 3.2720 3.2720 3.4326 3.4326 3.7329 3.7329 3.9861 3.9861 4.5137 4.5137 4.5529 4.5529 5.7567 5.7567 5.7983 5.7983 7.2673 7.2673 7.2767 7.2767 8.3042 8.3042 8.3108 8.3108 8.6920 8.6920 8.7354 8.7354 9.6245 9.6245 9.8176 9.8176 10.7687 10.7687 10.9988 10.9988 12.8014 12.8014 12.8093 12.8093 14.3026 14.3026 14.3158 14.3158 k = 0.5000 0.2720 0.3455 ( 2340 PWs) bands (ev): -7.6884 -7.6884 -7.6624 -7.6624 -7.5608 -7.5608 -7.4978 -7.4978 3.2992 3.2992 3.4640 3.4640 3.7309 3.7309 3.9955 3.9955 4.4588 4.4588 4.5124 4.5124 5.7443 5.7443 5.7827 5.7827 7.2685 7.2685 7.2779 7.2779 8.3175 8.3175 8.3235 8.3235 8.6996 8.6996 8.7381 8.7381 9.6865 9.6865 9.8770 9.8770 10.7252 10.7252 10.9497 10.9497 12.8506 12.8506 12.8602 12.8602 14.2522 14.2522 14.2620 14.2620 k = 0.5000 0.2817 0.3455 ( 2340 PWs) bands (ev): -7.6837 -7.6837 -7.6584 -7.6584 -7.5624 -7.5624 -7.5046 -7.5046 3.3266 3.3266 3.4931 3.4931 3.7304 3.7304 4.0023 4.0023 4.4083 4.4083 4.4744 4.4744 5.7335 5.7335 5.7682 5.7682 7.2697 7.2697 7.2787 7.2787 8.3292 8.3292 8.3345 8.3345 8.7067 8.7067 8.7403 8.7403 9.7482 9.7482 9.9351 9.9351 10.6815 10.6815 10.8990 10.8990 12.8989 12.8989 12.9097 12.9097 14.2032 14.2032 14.2099 14.2099 k = 0.5000 0.2914 0.3455 ( 2340 PWs) bands (ev): -7.6791 -7.6791 -7.6552 -7.6552 -7.5634 -7.5634 -7.5114 -7.5114 3.3540 3.3540 3.5181 3.5181 3.7330 3.7330 4.0052 4.0052 4.3636 4.3636 4.4389 4.4389 5.7245 5.7245 5.7550 5.7550 7.2708 7.2708 7.2791 7.2791 8.3394 8.3394 8.3439 8.3439 8.7133 8.7133 8.7420 8.7420 9.8091 9.8091 9.9908 9.9908 10.6387 10.6387 10.8473 10.8473 12.9454 12.9454 12.9568 12.9568 14.1564 14.1564 14.1606 14.1606 k = 0.5000 0.3011 0.3455 ( 2340 PWs) bands (ev): -7.6746 -7.6746 -7.6528 -7.6528 -7.5634 -7.5634 -7.5182 -7.5182 3.3814 3.3814 3.5361 3.5361 3.7413 3.7413 4.0025 4.0025 4.3266 4.3266 4.4061 4.4061 5.7173 5.7173 5.7433 5.7433 7.2719 7.2719 7.2792 7.2792 8.3480 8.3480 8.3518 8.3518 8.7194 8.7194 8.7432 8.7432 9.8688 9.8688 10.0425 10.0425 10.5985 10.5985 10.7950 10.7950 12.9892 12.9892 13.0003 13.0003 14.1128 14.1128 14.1149 14.1149 k = 0.5000 0.3108 0.3455 ( 2344 PWs) bands (ev): -7.6703 -7.6703 -7.6515 -7.6515 -7.5624 -7.5624 -7.5248 -7.5248 3.4083 3.4083 3.5452 3.5452 3.7574 3.7574 3.9923 3.9923 4.2994 4.2994 4.3762 4.3762 5.7118 5.7118 5.7330 5.7330 7.2730 7.2730 7.2791 7.2791 8.3551 8.3551 8.3581 8.3581 8.7248 8.7248 8.7437 8.7437 9.9268 9.9268 10.0874 10.0874 10.5634 10.5634 10.7426 10.7426 13.0288 13.0288 13.0390 13.0390 14.0736 14.0736 14.0742 14.0742 k = 0.5000 0.3206 0.3455 ( 2344 PWs) bands (ev): -7.6661 -7.6661 -7.6512 -7.6512 -7.5603 -7.5603 -7.5312 -7.5312 3.4345 3.4345 3.5450 3.5450 3.7813 3.7813 3.9738 3.9738 4.2831 4.2831 4.3494 4.3494 5.7082 5.7082 5.7243 5.7243 7.2740 7.2740 7.2787 7.2787 8.3607 8.3607 8.3630 8.3630 8.7295 8.7295 8.7437 8.7437 9.9821 9.9821 10.1213 10.1213 10.5377 10.5377 10.6910 10.6910 13.0627 13.0627 13.0713 13.0713 14.0401 14.0401 14.0405 14.0405 k = 0.5000 0.3303 0.3455 ( 2340 PWs) bands (ev): -7.6623 -7.6623 -7.6519 -7.6519 -7.5572 -7.5572 -7.5374 -7.5374 3.4595 3.4595 3.5368 3.5368 3.8115 3.8115 3.9476 3.9476 4.2773 4.2773 4.3258 4.3258 5.7063 5.7063 5.7172 5.7172 7.2750 7.2750 7.2782 7.2782 8.3648 8.3648 8.3663 8.3663 8.7336 8.7336 8.7431 8.7431 10.0335 10.0335 10.1389 10.1389 10.5267 10.5267 10.6416 10.6416 13.0893 13.0893 13.0955 13.0955 14.0143 14.0143 14.0149 14.0149 k = 0.5000 0.3400 0.3455 ( 2332 PWs) bands (ev): -7.6588 -7.6588 -7.6535 -7.6535 -7.5533 -7.5533 -7.5432 -7.5432 3.4831 3.4831 3.5227 3.5227 3.8455 3.8455 3.9158 3.9158 4.2804 4.2804 4.3060 4.3060 5.7064 5.7064 5.7118 5.7118 7.2760 7.2760 7.2776 7.2776 8.3674 8.3674 8.3682 8.3682 8.7370 8.7370 8.7417 8.7417 10.0788 10.0788 10.1364 10.1364 10.5342 10.5342 10.5965 10.5965 13.1068 13.1068 13.1100 13.1100 13.9981 13.9981 13.9986 13.9986 k = 0.5000 0.3497 0.3455 ( 2336 PWs) bands (ev): -7.6558 -7.6558 -7.6558 -7.6558 -7.5485 -7.5485 -7.5485 -7.5485 3.5044 3.5044 3.5044 3.5044 3.8810 3.8810 3.8810 3.8810 4.2905 4.2905 4.2905 4.2905 5.7082 5.7082 5.7082 5.7082 7.2768 7.2768 7.2768 7.2768 8.3685 8.3685 8.3685 8.3685 8.7397 8.7397 8.7397 8.7397 10.1147 10.1147 10.1147 10.1147 10.5590 10.5590 10.5590 10.5590 13.1139 13.1139 13.1139 13.1139 13.9928 13.9928 13.9928 13.9928 k = 0.5000 0.3497 0.3455 ( 2336 PWs) bands (ev): -7.6558 -7.6558 -7.6558 -7.6558 -7.5485 -7.5485 -7.5485 -7.5485 3.5044 3.5044 3.5044 3.5044 3.8810 3.8810 3.8810 3.8810 4.2905 4.2905 4.2905 4.2905 5.7082 5.7082 5.7082 5.7082 7.2768 7.2768 7.2768 7.2768 8.3685 8.3685 8.3685 8.3685 8.7397 8.7397 8.7397 8.7397 10.1147 10.1147 10.1147 10.1147 10.5590 10.5590 10.5590 10.5590 13.1139 13.1139 13.1139 13.1139 13.9928 13.9928 13.9928 13.9928 k = 0.4902 0.3497 0.3455 ( 2340 PWs) bands (ev): -7.6558 -7.6558 -7.6558 -7.6558 -7.5491 -7.5491 -7.5491 -7.5491 3.5024 3.5024 3.5024 3.5024 3.8807 3.8807 3.8807 3.8807 4.2926 4.2926 4.2926 4.2926 5.7094 5.7094 5.7094 5.7094 7.2757 7.2757 7.2757 7.2757 8.3682 8.3682 8.3682 8.3682 8.7394 8.7394 8.7394 8.7394 10.1162 10.1162 10.1162 10.1162 10.5582 10.5582 10.5582 10.5582 13.1145 13.1145 13.1145 13.1145 13.9930 13.9930 13.9930 13.9930 k = 0.4804 0.3497 0.3455 ( 2340 PWs) bands (ev): -7.6556 -7.6556 -7.6556 -7.6556 -7.5505 -7.5505 -7.5505 -7.5505 3.4965 3.4965 3.4965 3.4965 3.8798 3.8798 3.8798 3.8798 4.2987 4.2987 4.2987 4.2987 5.7130 5.7130 5.7130 5.7130 7.2722 7.2722 7.2722 7.2722 8.3672 8.3672 8.3672 8.3672 8.7385 8.7385 8.7385 8.7385 10.1205 10.1205 10.1205 10.1205 10.5559 10.5559 10.5559 10.5559 13.1165 13.1165 13.1165 13.1165 13.9935 13.9935 13.9935 13.9935 k = 0.4706 0.3497 0.3455 ( 2344 PWs) bands (ev): -7.6555 -7.6555 -7.6555 -7.6555 -7.5529 -7.5529 -7.5529 -7.5529 3.4866 3.4866 3.4866 3.4866 3.8782 3.8782 3.8782 3.8782 4.3090 4.3090 4.3090 4.3090 5.7189 5.7189 5.7189 5.7189 7.2665 7.2665 7.2665 7.2665 8.3654 8.3654 8.3654 8.3654 8.7370 8.7370 8.7370 8.7370 10.1276 10.1276 10.1276 10.1276 10.5521 10.5521 10.5521 10.5521 13.1197 13.1197 13.1197 13.1197 13.9944 13.9944 13.9944 13.9944 k = 0.4608 0.3497 0.3455 ( 2340 PWs) bands (ev): -7.6556 -7.6556 -7.6556 -7.6556 -7.5558 -7.5558 -7.5558 -7.5558 3.4732 3.4732 3.4732 3.4732 3.8756 3.8756 3.8756 3.8756 4.3235 4.3235 4.3235 4.3235 5.7272 5.7272 5.7272 5.7272 7.2586 7.2586 7.2586 7.2586 8.3629 8.3629 8.3629 8.3629 8.7350 8.7350 8.7350 8.7350 10.1371 10.1371 10.1371 10.1371 10.5471 10.5471 10.5471 10.5471 13.1243 13.1243 13.1243 13.1243 13.9955 13.9955 13.9955 13.9955 k = 0.4510 0.3497 0.3455 ( 2336 PWs) bands (ev): -7.6562 -7.6562 -7.6562 -7.6562 -7.5590 -7.5590 -7.5590 -7.5590 3.4562 3.4562 3.4562 3.4562 3.8721 3.8721 3.8721 3.8721 4.3423 4.3423 4.3423 4.3423 5.7378 5.7378 5.7378 5.7378 7.2485 7.2485 7.2485 7.2485 8.3595 8.3595 8.3595 8.3595 8.7326 8.7326 8.7326 8.7326 10.1486 10.1486 10.1486 10.1486 10.5411 10.5411 10.5411 10.5411 13.1303 13.1303 13.1303 13.1303 13.9969 13.9969 13.9969 13.9969 k = 0.4412 0.3497 0.3455 ( 2340 PWs) bands (ev): -7.6578 -7.6578 -7.6578 -7.6578 -7.5620 -7.5620 -7.5620 -7.5620 3.4360 3.4360 3.4360 3.4360 3.8673 3.8673 3.8673 3.8673 4.3653 4.3653 4.3653 4.3653 5.7506 5.7506 5.7506 5.7506 7.2364 7.2364 7.2364 7.2364 8.3551 8.3551 8.3551 8.3551 8.7299 8.7299 8.7299 8.7299 10.1614 10.1614 10.1614 10.1614 10.5347 10.5347 10.5347 10.5347 13.1377 13.1377 13.1377 13.1377 13.9985 13.9985 13.9985 13.9985 k = 0.4314 0.3497 0.3455 ( 2340 PWs) bands (ev): -7.6610 -7.6610 -7.6610 -7.6610 -7.5643 -7.5643 -7.5643 -7.5643 3.4128 3.4128 3.4128 3.4128 3.8613 3.8613 3.8613 3.8613 4.3926 4.3926 4.3926 4.3926 5.7657 5.7657 5.7657 5.7657 7.2223 7.2223 7.2223 7.2223 8.3495 8.3495 8.3495 8.3495 8.7270 8.7270 8.7270 8.7270 10.1749 10.1749 10.1749 10.1749 10.5284 10.5284 10.5284 10.5284 13.1465 13.1465 13.1465 13.1465 14.0002 14.0002 14.0002 14.0002 k = 0.4216 0.3497 0.3455 ( 2340 PWs) bands (ev): -7.6662 -7.6662 -7.6662 -7.6662 -7.5654 -7.5654 -7.5654 -7.5654 3.3868 3.3868 3.3868 3.3868 3.8541 3.8541 3.8541 3.8541 4.4242 4.4242 4.4242 4.4242 5.7829 5.7829 5.7829 5.7829 7.2063 7.2063 7.2063 7.2063 8.3426 8.3426 8.3426 8.3426 8.7241 8.7241 8.7241 8.7241 10.1879 10.1879 10.1879 10.1879 10.5232 10.5232 10.5232 10.5232 13.1569 13.1569 13.1569 13.1569 14.0019 14.0019 14.0019 14.0019 k = 0.4118 0.3497 0.3455 ( 2336 PWs) bands (ev): -7.6737 -7.6737 -7.6737 -7.6737 -7.5647 -7.5647 -7.5647 -7.5647 3.3582 3.3582 3.3582 3.3582 3.8456 3.8456 3.8456 3.8456 4.4598 4.4598 4.4598 4.4598 5.8022 5.8022 5.8022 5.8022 7.1886 7.1886 7.1886 7.1886 8.3342 8.3342 8.3342 8.3342 8.7212 8.7212 8.7212 8.7212 10.1992 10.1992 10.1992 10.1992 10.5201 10.5201 10.5201 10.5201 13.1688 13.1688 13.1688 13.1688 14.0036 14.0036 14.0036 14.0036 k = 0.4020 0.3497 0.3455 ( 2332 PWs) bands (ev): -7.6838 -7.6838 -7.6838 -7.6838 -7.5622 -7.5622 -7.5622 -7.5622 3.3273 3.3273 3.3273 3.3273 3.8360 3.8360 3.8360 3.8360 4.4995 4.4995 4.4995 4.4995 5.8235 5.8235 5.8235 5.8235 7.1694 7.1694 7.1694 7.1694 8.3241 8.3241 8.3241 8.3241 8.7185 8.7185 8.7185 8.7185 10.2072 10.2072 10.2072 10.2072 10.5204 10.5204 10.5204 10.5204 13.1823 13.1823 13.1823 13.1823 14.0051 14.0051 14.0051 14.0051 k = 0.3922 0.3497 0.3455 ( 2336 PWs) bands (ev): -7.6962 -7.6962 -7.6962 -7.6962 -7.5580 -7.5580 -7.5580 -7.5580 3.2941 3.2941 3.2941 3.2941 3.8254 3.8254 3.8254 3.8254 4.5431 4.5431 4.5431 4.5431 5.8468 5.8468 5.8468 5.8468 7.1487 7.1487 7.1487 7.1487 8.3121 8.3121 8.3121 8.3121 8.7160 8.7160 8.7160 8.7160 10.2107 10.2107 10.2107 10.2107 10.5252 10.5252 10.5252 10.5252 13.1974 13.1974 13.1974 13.1974 14.0064 14.0064 14.0064 14.0064 k = 0.3824 0.3497 0.3455 ( 2336 PWs) bands (ev): -7.7108 -7.7108 -7.7108 -7.7108 -7.5522 -7.5522 -7.5522 -7.5522 3.2590 3.2590 3.2590 3.2590 3.8139 3.8139 3.8139 3.8139 4.5905 4.5905 4.5905 4.5905 5.8718 5.8718 5.8718 5.8718 7.1268 7.1268 7.1268 7.1268 8.2980 8.2980 8.2980 8.2980 8.7140 8.7140 8.7140 8.7140 10.2086 10.2086 10.2086 10.2086 10.5355 10.5355 10.5355 10.5355 13.2142 13.2142 13.2142 13.2142 14.0074 14.0074 14.0074 14.0074 k = 0.3725 0.3497 0.3455 ( 2340 PWs) bands (ev): -7.7272 -7.7272 -7.7272 -7.7272 -7.5450 -7.5450 -7.5450 -7.5450 3.2221 3.2221 3.2221 3.2221 3.8016 3.8016 3.8016 3.8016 4.6416 4.6416 4.6416 4.6416 5.8987 5.8987 5.8987 5.8987 7.1038 7.1038 7.1038 7.1038 8.2818 8.2818 8.2818 8.2818 8.7123 8.7123 8.7123 8.7123 10.2005 10.2005 10.2005 10.2005 10.5514 10.5514 10.5514 10.5514 13.2326 13.2326 13.2326 13.2326 14.0080 14.0080 14.0080 14.0080 k = 0.3627 0.3497 0.3455 ( 2344 PWs) bands (ev): -7.7452 -7.7452 -7.7452 -7.7452 -7.5368 -7.5368 -7.5368 -7.5368 3.1836 3.1836 3.1836 3.1836 3.7886 3.7886 3.7886 3.7886 4.6962 4.6962 4.6962 4.6962 5.9272 5.9272 5.9272 5.9272 7.0799 7.0799 7.0799 7.0799 8.2634 8.2634 8.2634 8.2634 8.7111 8.7111 8.7111 8.7111 10.1867 10.1867 10.1867 10.1867 10.5724 10.5724 10.5724 10.5724 13.2528 13.2528 13.2528 13.2528 14.0082 14.0082 14.0082 14.0082 k = 0.3529 0.3497 0.3455 ( 2336 PWs) bands (ev): -7.7647 -7.7647 -7.7647 -7.7647 -7.5275 -7.5275 -7.5275 -7.5275 3.1436 3.1436 3.1436 3.1436 3.7752 3.7752 3.7752 3.7752 4.7541 4.7541 4.7541 4.7541 5.9573 5.9573 5.9573 5.9573 7.0554 7.0554 7.0554 7.0554 8.2426 8.2426 8.2426 8.2426 8.7103 8.7103 8.7103 8.7103 10.1679 10.1679 10.1679 10.1679 10.5977 10.5977 10.5977 10.5977 13.2746 13.2746 13.2746 13.2746 14.0078 14.0078 14.0078 14.0078 k = 0.3431 0.3497 0.3455 ( 2336 PWs) bands (ev): -7.7853 -7.7853 -7.7853 -7.7853 -7.5174 -7.5174 -7.5174 -7.5174 3.1025 3.1025 3.1025 3.1025 3.7613 3.7613 3.7613 3.7613 4.8152 4.8152 4.8152 4.8152 5.9889 5.9889 5.9889 5.9889 7.0304 7.0304 7.0304 7.0304 8.2194 8.2194 8.2194 8.2194 8.7098 8.7098 8.7098 8.7098 10.1449 10.1449 10.1449 10.1449 10.6264 10.6264 10.6264 10.6264 13.2980 13.2980 13.2980 13.2980 14.0069 14.0069 14.0069 14.0069 k = 0.3333 0.3497 0.3455 ( 2332 PWs) bands (ev): -7.8070 -7.8070 -7.8070 -7.8070 -7.5065 -7.5065 -7.5065 -7.5065 3.0603 3.0603 3.0603 3.0603 3.7472 3.7472 3.7472 3.7472 4.8794 4.8794 4.8794 4.8794 6.0218 6.0218 6.0218 6.0218 7.0050 7.0050 7.0050 7.0050 8.1941 8.1941 8.1941 8.1941 8.7095 8.7095 8.7095 8.7095 10.1183 10.1183 10.1183 10.1183 10.6576 10.6576 10.6576 10.6576 13.3229 13.3229 13.3229 13.3229 14.0056 14.0056 14.0056 14.0056 k = 0.3235 0.3497 0.3455 ( 2332 PWs) bands (ev): -7.8296 -7.8296 -7.8296 -7.8296 -7.4950 -7.4950 -7.4950 -7.4950 3.0173 3.0173 3.0173 3.0173 3.7329 3.7329 3.7329 3.7329 4.9464 4.9464 4.9464 4.9464 6.0559 6.0559 6.0559 6.0559 6.9797 6.9797 6.9797 6.9797 8.1665 8.1665 8.1665 8.1665 8.7093 8.7093 8.7093 8.7093 10.0887 10.0887 10.0887 10.0887 10.6905 10.6905 10.6905 10.6905 13.3491 13.3491 13.3491 13.3491 14.0038 14.0038 14.0038 14.0038 k = 0.3137 0.3497 0.3455 ( 2332 PWs) bands (ev): -7.8529 -7.8529 -7.8529 -7.8529 -7.4830 -7.4830 -7.4830 -7.4830 2.9736 2.9736 2.9736 2.9736 3.7186 3.7186 3.7186 3.7186 5.0162 5.0162 5.0162 5.0162 6.0912 6.0912 6.0912 6.0912 6.9545 6.9545 6.9545 6.9545 8.1368 8.1368 8.1368 8.1368 8.7092 8.7092 8.7092 8.7092 10.0565 10.0565 10.0565 10.0565 10.7248 10.7248 10.7248 10.7248 13.3764 13.3764 13.3764 13.3764 14.0017 14.0017 14.0017 14.0017 k = 0.3039 0.3497 0.3455 ( 2336 PWs) bands (ev): -7.8768 -7.8768 -7.8768 -7.8768 -7.4705 -7.4705 -7.4705 -7.4705 2.9295 2.9295 2.9295 2.9295 3.7043 3.7043 3.7043 3.7043 5.0885 5.0885 5.0885 5.0885 6.1273 6.1273 6.1273 6.1273 6.9297 6.9297 6.9297 6.9297 8.1052 8.1052 8.1052 8.1052 8.7088 8.7088 8.7088 8.7088 10.0221 10.0221 10.0221 10.0221 10.7597 10.7597 10.7597 10.7597 13.4044 13.4044 13.4044 13.4044 13.9996 13.9996 13.9996 13.9996 k = 0.2941 0.3497 0.3455 ( 2340 PWs) bands (ev): -7.9013 -7.9013 -7.9013 -7.9013 -7.4575 -7.4575 -7.4575 -7.4575 2.8850 2.8850 2.8850 2.8850 3.6901 3.6901 3.6901 3.6901 5.1631 5.1631 5.1631 5.1631 6.1641 6.1641 6.1641 6.1641 6.9056 6.9056 6.9056 6.9056 8.0720 8.0720 8.0720 8.0720 8.7082 8.7082 8.7082 8.7082 9.9856 9.9856 9.9856 9.9856 10.7951 10.7951 10.7951 10.7951 13.4327 13.4327 13.4327 13.4327 13.9977 13.9977 13.9977 13.9977 k = 0.2843 0.3497 0.3455 ( 2336 PWs) bands (ev): -7.9261 -7.9261 -7.9261 -7.9261 -7.4442 -7.4442 -7.4442 -7.4442 2.8405 2.8405 2.8405 2.8405 3.6761 3.6761 3.6761 3.6761 5.2399 5.2399 5.2399 5.2399 6.2014 6.2014 6.2014 6.2014 6.8825 6.8825 6.8825 6.8825 8.0372 8.0372 8.0372 8.0372 8.7071 8.7071 8.7071 8.7071 9.9473 9.9473 9.9473 9.9473 10.8305 10.8305 10.8305 10.8305 13.4608 13.4608 13.4608 13.4608 13.9966 13.9966 13.9966 13.9966 k = 0.2745 0.3497 0.3455 ( 2332 PWs) bands (ev): -7.9512 -7.9512 -7.9512 -7.9512 -7.4306 -7.4306 -7.4306 -7.4306 2.7960 2.7960 2.7960 2.7960 3.6624 3.6624 3.6624 3.6624 5.3185 5.3185 5.3185 5.3185 6.2389 6.2389 6.2389 6.2389 6.8607 6.8607 6.8607 6.8607 8.0013 8.0013 8.0013 8.0013 8.7054 8.7054 8.7054 8.7054 9.9074 9.9074 9.9074 9.9074 10.8657 10.8657 10.8657 10.8657 13.4878 13.4878 13.4878 13.4878 13.9970 13.9970 13.9970 13.9970 k = 0.2647 0.3497 0.3455 ( 2328 PWs) bands (ev): -7.9765 -7.9765 -7.9765 -7.9765 -7.4168 -7.4168 -7.4168 -7.4168 2.7517 2.7517 2.7517 2.7517 3.6490 3.6490 3.6490 3.6490 5.3988 5.3988 5.3988 5.3988 6.2763 6.2763 6.2763 6.2763 6.8406 6.8406 6.8406 6.8406 7.9644 7.9644 7.9644 7.9644 8.7029 8.7029 8.7029 8.7029 9.8659 9.8659 9.8659 9.8659 10.9004 10.9004 10.9004 10.9004 13.5129 13.5129 13.5129 13.5129 13.9997 13.9997 13.9997 13.9997 k = 0.2549 0.3497 0.3455 ( 2328 PWs) bands (ev): -8.0019 -8.0019 -8.0019 -8.0019 -7.4028 -7.4028 -7.4028 -7.4028 2.7078 2.7078 2.7078 2.7078 3.6359 3.6359 3.6359 3.6359 5.4803 5.4803 5.4803 5.4803 6.3132 6.3132 6.3132 6.3132 6.8227 6.8227 6.8227 6.8227 7.9268 7.9268 7.9268 7.9268 8.6995 8.6995 8.6995 8.6995 9.8229 9.8229 9.8229 9.8229 10.9344 10.9344 10.9344 10.9344 13.5349 13.5349 13.5349 13.5349 14.0057 14.0057 14.0057 14.0057 k = 0.2451 0.3497 0.3455 ( 2332 PWs) bands (ev): -8.0271 -8.0271 -8.0271 -8.0271 -7.3887 -7.3887 -7.3887 -7.3887 2.6644 2.6644 2.6644 2.6644 3.6233 3.6233 3.6233 3.6233 5.5628 5.5628 5.5628 5.5628 6.3490 6.3490 6.3490 6.3490 6.8077 6.8077 6.8077 6.8077 7.8890 7.8890 7.8890 7.8890 8.6951 8.6951 8.6951 8.6951 9.7786 9.7786 9.7786 9.7786 10.9676 10.9676 10.9676 10.9676 13.5528 13.5528 13.5528 13.5528 14.0160 14.0160 14.0160 14.0160 k = 0.2353 0.3497 0.3455 ( 2332 PWs) bands (ev): -8.0523 -8.0523 -8.0523 -8.0523 -7.3745 -7.3745 -7.3745 -7.3745 2.6216 2.6216 2.6216 2.6216 3.6112 3.6112 3.6112 3.6112 5.6458 5.6458 5.6458 5.6458 6.3833 6.3833 6.3833 6.3833 6.7962 6.7962 6.7962 6.7962 7.8513 7.8513 7.8513 7.8513 8.6896 8.6896 8.6896 8.6896 9.7329 9.7329 9.7329 9.7329 10.9998 10.9998 10.9998 10.9998 13.5656 13.5656 13.5656 13.5656 14.0315 14.0315 14.0315 14.0315 k = 0.2255 0.3497 0.3455 ( 2328 PWs) bands (ev): -8.0772 -8.0772 -8.0772 -8.0772 -7.3604 -7.3604 -7.3604 -7.3604 2.5797 2.5797 2.5797 2.5797 3.5996 3.5996 3.5996 3.5996 5.7287 5.7287 5.7287 5.7287 6.4153 6.4153 6.4153 6.4153 6.7890 6.7890 6.7890 6.7890 7.8142 7.8142 7.8142 7.8142 8.6828 8.6828 8.6828 8.6828 9.6860 9.6860 9.6860 9.6860 11.0308 11.0308 11.0308 11.0308 13.5727 13.5727 13.5727 13.5727 14.0527 14.0527 14.0527 14.0527 k = 0.2157 0.3497 0.3455 ( 2336 PWs) bands (ev): -8.1018 -8.1018 -8.1018 -8.1018 -7.3463 -7.3463 -7.3463 -7.3463 2.5387 2.5387 2.5387 2.5387 3.5885 3.5885 3.5885 3.5885 5.8108 5.8108 5.8108 5.8108 6.4447 6.4447 6.4447 6.4447 6.7869 6.7869 6.7869 6.7869 7.7780 7.7780 7.7780 7.7780 8.6746 8.6746 8.6746 8.6746 9.6379 9.6379 9.6379 9.6379 11.0605 11.0605 11.0605 11.0605 13.5739 13.5739 13.5739 13.5739 14.0797 14.0797 14.0797 14.0797 k = 0.2059 0.3497 0.3455 ( 2336 PWs) bands (ev): -8.1259 -8.1259 -8.1259 -8.1259 -7.3324 -7.3324 -7.3324 -7.3324 2.4987 2.4987 2.4987 2.4987 3.5779 3.5779 3.5779 3.5779 5.8911 5.8911 5.8911 5.8911 6.4715 6.4715 6.4715 6.4715 6.7905 6.7905 6.7905 6.7905 7.7435 7.7435 7.7435 7.7435 8.6649 8.6649 8.6649 8.6649 9.5886 9.5886 9.5886 9.5886 11.0887 11.0887 11.0887 11.0887 13.5698 13.5698 13.5698 13.5698 14.1120 14.1120 14.1120 14.1120 k = 0.1961 0.3497 0.3455 ( 2336 PWs) bands (ev): -8.1495 -8.1495 -8.1495 -8.1495 -7.3186 -7.3186 -7.3186 -7.3186 2.4599 2.4599 2.4599 2.4599 3.5679 3.5679 3.5679 3.5679 5.9680 5.9680 5.9680 5.9680 6.4965 6.4965 6.4965 6.4965 6.7997 6.7997 6.7997 6.7997 7.7110 7.7110 7.7110 7.7110 8.6536 8.6536 8.6536 8.6536 9.5382 9.5382 9.5382 9.5382 11.1155 11.1155 11.1155 11.1155 13.5609 13.5609 13.5609 13.5609 14.1489 14.1489 14.1489 14.1489 k = 0.1863 0.3497 0.3455 ( 2336 PWs) bands (ev): -8.1726 -8.1726 -8.1726 -8.1726 -7.3051 -7.3051 -7.3051 -7.3051 2.4224 2.4224 2.4224 2.4224 3.5585 3.5585 3.5585 3.5585 6.0397 6.0397 6.0397 6.0397 6.5217 6.5217 6.5217 6.5217 6.8139 6.8139 6.8139 6.8139 7.6815 7.6815 7.6815 7.6815 8.6407 8.6407 8.6407 8.6407 9.4868 9.4868 9.4868 9.4868 11.1406 11.1406 11.1406 11.1406 13.5480 13.5480 13.5480 13.5480 14.1895 14.1895 14.1895 14.1895 k = 0.1765 0.3497 0.3455 ( 2344 PWs) bands (ev): -8.1949 -8.1949 -8.1949 -8.1949 -7.2919 -7.2919 -7.2919 -7.2919 2.3862 2.3862 2.3862 2.3862 3.5497 3.5497 3.5497 3.5497 6.1036 6.1036 6.1036 6.1036 6.5499 6.5499 6.5499 6.5499 6.8319 6.8319 6.8319 6.8319 7.6555 7.6555 7.6555 7.6555 8.6261 8.6261 8.6261 8.6261 9.4344 9.4344 9.4344 9.4344 11.1640 11.1640 11.1640 11.1640 13.5321 13.5321 13.5321 13.5321 14.2329 14.2329 14.2329 14.2329 k = 0.1667 0.3497 0.3455 ( 2344 PWs) bands (ev): -8.2165 -8.2165 -8.2165 -8.2165 -7.2791 -7.2791 -7.2791 -7.2791 2.3515 2.3515 2.3515 2.3515 3.5415 3.5415 3.5415 3.5415 6.1569 6.1569 6.1569 6.1569 6.5847 6.5847 6.5847 6.5847 6.8520 6.8520 6.8520 6.8520 7.6341 7.6341 7.6341 7.6341 8.6097 8.6097 8.6097 8.6097 9.3810 9.3810 9.3810 9.3810 11.1857 11.1857 11.1857 11.1857 13.5138 13.5138 13.5138 13.5138 14.2784 14.2784 14.2784 14.2784 k = 0.1569 0.3497 0.3455 ( 2348 PWs) bands (ev): -8.2373 -8.2373 -8.2373 -8.2373 -7.2666 -7.2666 -7.2666 -7.2666 2.3184 2.3184 2.3184 2.3184 3.5339 3.5339 3.5339 3.5339 6.1978 6.1978 6.1978 6.1978 6.6285 6.6285 6.6285 6.6285 6.8729 6.8729 6.8729 6.8729 7.6180 7.6180 7.6180 7.6180 8.5915 8.5915 8.5915 8.5915 9.3267 9.3267 9.3267 9.3267 11.2057 11.2057 11.2057 11.2057 13.4939 13.4939 13.4939 13.4939 14.3252 14.3252 14.3252 14.3252 k = 0.1471 0.3497 0.3455 ( 2352 PWs) bands (ev): -8.2572 -8.2572 -8.2572 -8.2572 -7.2546 -7.2546 -7.2546 -7.2546 2.2869 2.2869 2.2869 2.2869 3.5268 3.5268 3.5268 3.5268 6.2263 6.2263 6.2263 6.2263 6.6812 6.6812 6.6812 6.6812 6.8935 6.8935 6.8935 6.8935 7.6082 7.6082 7.6082 7.6082 8.5714 8.5714 8.5714 8.5714 9.2716 9.2716 9.2716 9.2716 11.2238 11.2238 11.2238 11.2238 13.4728 13.4728 13.4728 13.4728 14.3725 14.3725 14.3725 14.3725 k = 0.1373 0.3497 0.3455 ( 2360 PWs) bands (ev): -8.2761 -8.2761 -8.2761 -8.2761 -7.2431 -7.2431 -7.2431 -7.2431 2.2570 2.2570 2.2570 2.2570 3.5204 3.5204 3.5204 3.5204 6.2441 6.2441 6.2441 6.2441 6.7400 6.7400 6.7400 6.7400 6.9140 6.9140 6.9140 6.9140 7.6053 7.6053 7.6053 7.6053 8.5495 8.5495 8.5495 8.5495 9.2156 9.2156 9.2156 9.2156 11.2401 11.2401 11.2401 11.2401 13.4512 13.4512 13.4512 13.4512 14.4199 14.4199 14.4199 14.4199 k = 0.1275 0.3497 0.3455 ( 2356 PWs) bands (ev): -8.2939 -8.2939 -8.2939 -8.2939 -7.2322 -7.2322 -7.2322 -7.2322 2.2290 2.2290 2.2290 2.2290 3.5145 3.5145 3.5145 3.5145 6.2540 6.2540 6.2540 6.2540 6.7985 6.7985 6.7985 6.7985 6.9376 6.9376 6.9376 6.9376 7.6098 7.6098 7.6098 7.6098 8.5259 8.5259 8.5259 8.5259 9.1589 9.1589 9.1589 9.1589 11.2547 11.2547 11.2547 11.2547 13.4295 13.4295 13.4295 13.4295 14.4668 14.4668 14.4668 14.4668 k = 0.1176 0.3497 0.3455 ( 2360 PWs) bands (ev): -8.3107 -8.3107 -8.3107 -8.3107 -7.2219 -7.2219 -7.2219 -7.2219 2.2028 2.2028 2.2028 2.2028 3.5092 3.5092 3.5092 3.5092 6.2584 6.2584 6.2584 6.2584 6.8456 6.8456 6.8456 6.8456 6.9726 6.9726 6.9726 6.9726 7.6215 7.6215 7.6215 7.6215 8.5006 8.5006 8.5006 8.5006 9.1015 9.1015 9.1015 9.1015 11.2675 11.2675 11.2675 11.2675 13.4081 13.4081 13.4081 13.4081 14.5125 14.5125 14.5125 14.5125 k = 0.1078 0.3497 0.3455 ( 2364 PWs) bands (ev): -8.3263 -8.3263 -8.3263 -8.3263 -7.2122 -7.2122 -7.2122 -7.2122 2.1785 2.1785 2.1785 2.1785 3.5044 3.5044 3.5044 3.5044 6.2593 6.2593 6.2593 6.2593 6.8720 6.8720 6.8720 6.8720 7.0266 7.0266 7.0266 7.0266 7.6399 7.6399 7.6399 7.6399 8.4739 8.4739 8.4739 8.4739 9.0435 9.0435 9.0435 9.0435 11.2787 11.2787 11.2787 11.2787 13.3873 13.3873 13.3873 13.3873 14.5568 14.5568 14.5568 14.5568 k = 0.0980 0.3497 0.3455 ( 2364 PWs) bands (ev): -8.3408 -8.3408 -8.3408 -8.3408 -7.2032 -7.2032 -7.2032 -7.2032 2.1561 2.1561 2.1561 2.1561 3.5002 3.5002 3.5002 3.5002 6.2579 6.2579 6.2579 6.2579 6.8821 6.8821 6.8821 6.8821 7.0943 7.0943 7.0943 7.0943 7.6641 7.6641 7.6641 7.6641 8.4462 8.4462 8.4462 8.4462 8.9850 8.9850 8.9850 8.9850 11.2883 11.2883 11.2883 11.2883 13.3675 13.3675 13.3675 13.3675 14.5990 14.5990 14.5990 14.5990 k = 0.0882 0.3497 0.3455 ( 2352 PWs) bands (ev): -8.3540 -8.3540 -8.3540 -8.3540 -7.1950 -7.1950 -7.1950 -7.1950 2.1357 2.1357 2.1357 2.1357 3.4964 3.4964 3.4964 3.4964 6.2551 6.2551 6.2551 6.2551 6.8835 6.8835 6.8835 6.8835 7.1677 7.1677 7.1677 7.1677 7.6928 7.6928 7.6928 7.6928 8.4178 8.4178 8.4178 8.4178 8.9262 8.9262 8.9262 8.9262 11.2965 11.2965 11.2965 11.2965 13.3488 13.3488 13.3488 13.3488 14.6388 14.6388 14.6388 14.6388 k = 0.0784 0.3497 0.3455 ( 2352 PWs) bands (ev): -8.3659 -8.3659 -8.3659 -8.3659 -7.1875 -7.1875 -7.1875 -7.1875 2.1174 2.1174 2.1174 2.1174 3.4931 3.4931 3.4931 3.4931 6.2517 6.2517 6.2517 6.2517 6.8803 6.8803 6.8803 6.8803 7.2426 7.2426 7.2426 7.2426 7.7243 7.7243 7.7243 7.7243 8.3895 8.3895 8.3895 8.3895 8.8670 8.8670 8.8670 8.8670 11.3032 11.3032 11.3032 11.3032 13.3316 13.3316 13.3316 13.3316 14.6757 14.6757 14.6757 14.6757 k = 0.0686 0.3497 0.3455 ( 2348 PWs) bands (ev): -8.3765 -8.3765 -8.3765 -8.3765 -7.1808 -7.1808 -7.1808 -7.1808 2.1011 2.1011 2.1011 2.1011 3.4903 3.4903 3.4903 3.4903 6.2480 6.2480 6.2480 6.2480 6.8747 6.8747 6.8747 6.8747 7.3171 7.3171 7.3171 7.3171 7.7565 7.7565 7.7565 7.7565 8.3626 8.3626 8.3626 8.3626 8.8079 8.8079 8.8079 8.8079 11.3088 11.3088 11.3088 11.3088 13.3160 13.3160 13.3160 13.3160 14.7093 14.7093 14.7093 14.7093 k = 0.0588 0.3497 0.3455 ( 2352 PWs) bands (ev): -8.3858 -8.3858 -8.3858 -8.3858 -7.1749 -7.1749 -7.1749 -7.1749 2.0870 2.0870 2.0870 2.0870 3.4878 3.4878 3.4878 3.4878 6.2444 6.2444 6.2444 6.2444 6.8680 6.8680 6.8680 6.8680 7.3898 7.3898 7.3898 7.3898 7.7869 7.7869 7.7869 7.7869 8.3386 8.3386 8.3386 8.3386 8.7491 8.7491 8.7491 8.7491 11.3133 11.3133 11.3133 11.3133 13.3022 13.3022 13.3022 13.3022 14.7393 14.7393 14.7393 14.7393 k = 0.0490 0.3497 0.3455 ( 2352 PWs) bands (ev): -8.3937 -8.3937 -8.3937 -8.3937 -7.1699 -7.1699 -7.1699 -7.1699 2.0749 2.0749 2.0749 2.0749 3.4858 3.4858 3.4858 3.4858 6.2411 6.2411 6.2411 6.2411 6.8611 6.8611 6.8611 6.8611 7.4597 7.4597 7.4597 7.4597 7.8125 7.8125 7.8125 7.8125 8.3201 8.3201 8.3201 8.3201 8.6911 8.6911 8.6911 8.6911 11.3168 11.3168 11.3168 11.3168 13.2903 13.2903 13.2903 13.2903 14.7652 14.7652 14.7652 14.7652 k = 0.0392 0.3497 0.3455 ( 2348 PWs) bands (ev): -8.4002 -8.4002 -8.4002 -8.4002 -7.1658 -7.1658 -7.1658 -7.1658 2.0651 2.0651 2.0651 2.0651 3.4842 3.4842 3.4842 3.4842 6.2381 6.2381 6.2381 6.2381 6.8547 6.8547 6.8547 6.8547 7.5260 7.5260 7.5260 7.5260 7.8298 7.8298 7.8298 7.8298 8.3097 8.3097 8.3097 8.3097 8.6346 8.6346 8.6346 8.6346 11.3194 11.3194 11.3194 11.3194 13.2805 13.2805 13.2805 13.2805 14.7870 14.7870 14.7870 14.7870 k = 0.0294 0.3497 0.3455 ( 2348 PWs) bands (ev): -8.4052 -8.4052 -8.4052 -8.4052 -7.1626 -7.1626 -7.1626 -7.1626 2.0574 2.0574 2.0574 2.0574 3.4830 3.4830 3.4830 3.4830 6.2358 6.2358 6.2358 6.2358 6.8493 6.8493 6.8493 6.8493 7.5873 7.5873 7.5873 7.5873 7.8357 7.8357 7.8357 7.8357 8.3098 8.3098 8.3098 8.3098 8.5807 8.5807 8.5807 8.5807 11.3214 11.3214 11.3214 11.3214 13.2727 13.2727 13.2727 13.2727 14.8041 14.8041 14.8041 14.8041 k = 0.0196 0.3497 0.3455 ( 2344 PWs) bands (ev): -8.4089 -8.4089 -8.4089 -8.4089 -7.1603 -7.1603 -7.1603 -7.1603 2.0519 2.0519 2.0519 2.0519 3.4821 3.4821 3.4821 3.4821 6.2341 6.2341 6.2341 6.2341 6.8452 6.8452 6.8452 6.8452 7.6418 7.6418 7.6418 7.6418 7.8295 7.8295 7.8295 7.8295 8.3202 8.3202 8.3202 8.3202 8.5320 8.5320 8.5320 8.5320 11.3227 11.3227 11.3227 11.3227 13.2671 13.2671 13.2671 13.2671 14.8165 14.8165 14.8165 14.8165 k = 0.0098 0.3497 0.3455 ( 2332 PWs) bands (ev): -8.4110 -8.4110 -8.4110 -8.4110 -7.1589 -7.1589 -7.1589 -7.1589 2.0486 2.0486 2.0486 2.0486 3.4816 3.4816 3.4816 3.4816 6.2330 6.2330 6.2330 6.2330 6.8427 6.8427 6.8427 6.8427 7.6850 7.6850 7.6850 7.6850 7.8151 7.8151 7.8151 7.8151 8.3361 8.3361 8.3361 8.3361 8.4936 8.4936 8.4936 8.4936 11.3234 11.3234 11.3234 11.3234 13.2638 13.2638 13.2638 13.2638 14.8241 14.8241 14.8241 14.8241 k = 0.0000 0.3497 0.3455 ( 2328 PWs) bands (ev): -8.4118 -8.4118 -8.4118 -8.4118 -7.1584 -7.1584 -7.1584 -7.1584 2.0475 2.0475 2.0475 2.0475 3.4814 3.4814 3.4814 3.4814 6.2327 6.2327 6.2327 6.2327 6.8418 6.8418 6.8418 6.8418 7.7038 7.7038 7.7038 7.7038 7.8057 7.8057 7.8057 7.8057 8.3449 8.3449 8.3449 8.3449 8.4775 8.4775 8.4775 8.4775 11.3237 11.3237 11.3237 11.3237 13.2627 13.2627 13.2627 13.2627 14.8266 14.8266 14.8266 14.8266 k = 0.0000 0.3497 0.3455 ( 2328 PWs) bands (ev): -8.4118 -8.4118 -8.4118 -8.4118 -7.1584 -7.1584 -7.1584 -7.1584 2.0475 2.0475 2.0475 2.0475 3.4814 3.4814 3.4814 3.4814 6.2327 6.2327 6.2327 6.2327 6.8418 6.8418 6.8418 6.8418 7.7038 7.7038 7.7038 7.7038 7.8057 7.8057 7.8057 7.8057 8.3449 8.3449 8.3449 8.3449 8.4775 8.4775 8.4775 8.4775 11.3237 11.3237 11.3237 11.3237 13.2627 13.2627 13.2627 13.2627 14.8266 14.8266 14.8266 14.8266 k = 0.0000 0.3400 0.3455 ( 2336 PWs) bands (ev): -8.4118 -8.4118 -8.4118 -8.4118 -7.1585 -7.1585 -7.1585 -7.1585 2.0489 2.0489 2.0489 2.0489 3.4818 3.4818 3.4818 3.4818 6.2277 6.2277 6.2277 6.2277 6.8448 6.8448 6.8448 6.8448 7.6892 7.6892 7.6892 7.6892 7.8147 7.8147 7.8147 7.8147 8.3411 8.3411 8.3411 8.3411 8.4871 8.4871 8.4871 8.4871 11.3236 11.3236 11.3236 11.3236 13.2637 13.2637 13.2637 13.2637 14.8259 14.8259 14.8259 14.8259 k = 0.0000 0.3303 0.3455 ( 2338 PWs) bands (ev): -8.4117 -8.4117 -8.4117 -8.4117 -7.1589 -7.1589 -7.1589 -7.1589 2.0533 2.0533 2.0533 2.0533 3.4830 3.4830 3.4830 3.4830 6.2133 6.2133 6.2133 6.2133 6.8532 6.8532 6.8532 6.8532 7.6558 7.6558 7.6558 7.6558 7.8312 7.8312 7.8312 7.8312 8.3343 8.3343 8.3343 8.3343 8.5117 8.5117 8.5117 8.5117 11.3232 11.3232 11.3232 11.3232 13.2667 13.2667 13.2667 13.2667 14.8239 14.8239 14.8239 14.8239 k = 0.0000 0.3206 0.3455 ( 2336 PWs) bands (ev): -8.4116 -8.4116 -8.4116 -8.4116 -7.1596 -7.1596 -7.1596 -7.1596 2.0605 2.0605 2.0605 2.0605 3.4850 3.4850 3.4850 3.4850 6.1906 6.1906 6.1906 6.1906 6.8652 6.8652 6.8652 6.8652 7.6148 7.6148 7.6148 7.6148 7.8437 7.8437 7.8437 7.8437 8.3321 8.3321 8.3321 8.3321 8.5446 8.5446 8.5446 8.5446 11.3226 11.3226 11.3226 11.3226 13.2717 13.2717 13.2717 13.2717 14.8206 14.8206 14.8206 14.8206 k = 0.0000 0.3108 0.3455 ( 2340 PWs) bands (ev): -8.4115 -8.4115 -8.4115 -8.4115 -7.1605 -7.1605 -7.1605 -7.1605 2.0706 2.0706 2.0706 2.0706 3.4878 3.4878 3.4878 3.4878 6.1611 6.1611 6.1611 6.1611 6.8784 6.8784 6.8784 6.8784 7.5708 7.5708 7.5708 7.5708 7.8484 7.8484 7.8484 7.8484 8.3386 8.3386 8.3386 8.3386 8.5817 8.5817 8.5817 8.5817 11.3215 11.3215 11.3215 11.3215 13.2788 13.2788 13.2788 13.2788 14.8159 14.8159 14.8159 14.8159 k = 0.0000 0.3011 0.3455 ( 2344 PWs) bands (ev): -8.4114 -8.4114 -8.4114 -8.4114 -7.1616 -7.1616 -7.1616 -7.1616 2.0835 2.0835 2.0835 2.0835 3.4913 3.4913 3.4913 3.4913 6.1264 6.1264 6.1264 6.1264 6.8900 6.8900 6.8900 6.8900 7.5258 7.5258 7.5258 7.5258 7.8458 7.8458 7.8458 7.8458 8.3550 8.3550 8.3550 8.3550 8.6210 8.6210 8.6210 8.6210 11.3199 11.3199 11.3199 11.3199 13.2879 13.2879 13.2879 13.2879 14.8100 14.8100 14.8100 14.8100 k = 0.0000 0.2914 0.3455 ( 2346 PWs) bands (ev): -8.4113 -8.4113 -8.4113 -8.4113 -7.1630 -7.1630 -7.1630 -7.1630 2.0992 2.0992 2.0992 2.0992 3.4956 3.4956 3.4956 3.4956 6.0878 6.0878 6.0878 6.0878 6.8972 6.8972 6.8972 6.8972 7.4809 7.4809 7.4809 7.4809 7.8389 7.8389 7.8389 7.8389 8.3800 8.3800 8.3800 8.3800 8.6612 8.6612 8.6612 8.6612 11.3176 11.3176 11.3176 11.3176 13.2992 13.2992 13.2992 13.2992 14.8028 14.8028 14.8028 14.8028 k = 0.0000 0.2817 0.3455 ( 2346 PWs) bands (ev): -8.4111 -8.4111 -8.4111 -8.4111 -7.1646 -7.1646 -7.1646 -7.1646 2.1177 2.1177 2.1177 2.1177 3.5007 3.5007 3.5007 3.5007 6.0464 6.0464 6.0464 6.0464 6.8974 6.8974 6.8974 6.8974 7.4365 7.4365 7.4365 7.4365 7.8317 7.8317 7.8317 7.8317 8.4114 8.4114 8.4114 8.4114 8.7018 8.7018 8.7018 8.7018 11.3145 11.3145 11.3145 11.3145 13.3126 13.3126 13.3126 13.3126 14.7944 14.7944 14.7944 14.7944 k = 0.0000 0.2720 0.3455 ( 2346 PWs) bands (ev): -8.4109 -8.4109 -8.4109 -8.4109 -7.1664 -7.1664 -7.1664 -7.1664 2.1389 2.1389 2.1389 2.1389 3.5064 3.5064 3.5064 3.5064 6.0029 6.0029 6.0029 6.0029 6.8887 6.8887 6.8887 6.8887 7.3923 7.3923 7.3923 7.3923 7.8282 7.8282 7.8282 7.8282 8.4469 8.4469 8.4469 8.4469 8.7425 8.7425 8.7425 8.7425 11.3102 11.3102 11.3102 11.3102 13.3281 13.3281 13.3281 13.3281 14.7849 14.7849 14.7849 14.7849 k = 0.0000 0.2623 0.3455 ( 2350 PWs) bands (ev): -8.4107 -8.4107 -8.4107 -8.4107 -7.1685 -7.1685 -7.1685 -7.1685 2.1628 2.1628 2.1628 2.1628 3.5129 3.5129 3.5129 3.5129 5.9581 5.9581 5.9581 5.9581 6.8702 6.8702 6.8702 6.8702 7.3477 7.3477 7.3477 7.3477 7.8316 7.8316 7.8316 7.8316 8.4847 8.4847 8.4847 8.4847 8.7831 8.7831 8.7831 8.7831 11.3048 11.3048 11.3048 11.3048 13.3457 13.3457 13.3457 13.3457 14.7743 14.7743 14.7743 14.7743 k = 0.0000 0.2526 0.3455 ( 2350 PWs) bands (ev): -8.4104 -8.4104 -8.4104 -8.4104 -7.1707 -7.1707 -7.1707 -7.1707 2.1892 2.1892 2.1892 2.1892 3.5200 3.5200 3.5200 3.5200 5.9123 5.9123 5.9123 5.9123 6.8419 6.8419 6.8419 6.8419 7.3021 7.3021 7.3021 7.3021 7.8435 7.8435 7.8435 7.8435 8.5234 8.5234 8.5234 8.5234 8.8237 8.8237 8.8237 8.8237 11.2979 11.2979 11.2979 11.2979 13.3655 13.3655 13.3655 13.3655 14.7628 14.7628 14.7628 14.7628 k = 0.0000 0.2428 0.3455 ( 2348 PWs) bands (ev): -8.4102 -8.4102 -8.4102 -8.4102 -7.1730 -7.1730 -7.1730 -7.1730 2.2182 2.2182 2.2182 2.2182 3.5278 3.5278 3.5278 3.5278 5.8660 5.8660 5.8660 5.8660 6.8048 6.8048 6.8048 6.8048 7.2550 7.2550 7.2550 7.2550 7.8645 7.8645 7.8645 7.8645 8.5619 8.5619 8.5619 8.5619 8.8644 8.8644 8.8644 8.8644 11.2894 11.2894 11.2894 11.2894 13.3873 13.3873 13.3873 13.3873 14.7503 14.7503 14.7503 14.7503 k = 0.0000 0.2331 0.3455 ( 2352 PWs) bands (ev): -8.4099 -8.4099 -8.4099 -8.4099 -7.1755 -7.1755 -7.1755 -7.1755 2.2495 2.2495 2.2495 2.2495 3.5361 3.5361 3.5361 3.5361 5.8193 5.8193 5.8193 5.8193 6.7604 6.7604 6.7604 6.7604 7.2063 7.2063 7.2063 7.2063 7.8939 7.8939 7.8939 7.8939 8.5994 8.5994 8.5994 8.5994 8.9051 8.9051 8.9051 8.9051 11.2792 11.2792 11.2792 11.2792 13.4111 13.4111 13.4111 13.4111 14.7370 14.7370 14.7370 14.7370 k = 0.0000 0.2234 0.3455 ( 2348 PWs) bands (ev): -8.4096 -8.4096 -8.4096 -8.4096 -7.1781 -7.1781 -7.1781 -7.1781 2.2832 2.2832 2.2832 2.2832 3.5450 3.5450 3.5450 3.5450 5.7724 5.7724 5.7724 5.7724 6.7100 6.7100 6.7100 6.7100 7.1562 7.1562 7.1562 7.1562 7.9305 7.9305 7.9305 7.9305 8.6352 8.6352 8.6352 8.6352 8.9459 8.9459 8.9459 8.9459 11.2672 11.2672 11.2672 11.2672 13.4367 13.4367 13.4367 13.4367 14.7230 14.7230 14.7230 14.7230 k = 0.0000 0.2137 0.3455 ( 2352 PWs) bands (ev): -8.4093 -8.4093 -8.4093 -8.4093 -7.1809 -7.1809 -7.1809 -7.1809 2.3192 2.3192 2.3192 2.3192 3.5545 3.5545 3.5545 3.5545 5.7255 5.7255 5.7255 5.7255 6.6552 6.6552 6.6552 6.6552 7.1053 7.1053 7.1053 7.1053 7.9730 7.9730 7.9730 7.9730 8.6692 8.6692 8.6692 8.6692 8.9869 8.9869 8.9869 8.9869 11.2532 11.2532 11.2532 11.2532 13.4642 13.4642 13.4642 13.4642 14.7083 14.7083 14.7083 14.7083 k = 0.0000 0.2040 0.3455 ( 2352 PWs) bands (ev): -8.4090 -8.4090 -8.4090 -8.4090 -7.1837 -7.1837 -7.1837 -7.1837 2.3572 2.3572 2.3572 2.3572 3.5644 3.5644 3.5644 3.5644 5.6786 5.6786 5.6786 5.6786 6.5969 6.5969 6.5969 6.5969 7.0542 7.0542 7.0542 7.0542 8.0201 8.0201 8.0201 8.0201 8.7010 8.7010 8.7010 8.7010 9.0280 9.0280 9.0280 9.0280 11.2373 11.2373 11.2373 11.2373 13.4931 13.4931 13.4931 13.4931 14.6932 14.6932 14.6932 14.6932 k = 0.0000 0.1943 0.3455 ( 2352 PWs) bands (ev): -8.4086 -8.4086 -8.4086 -8.4086 -7.1866 -7.1866 -7.1866 -7.1866 2.3972 2.3972 2.3972 2.3972 3.5747 3.5747 3.5747 3.5747 5.6318 5.6318 5.6318 5.6318 6.5363 6.5363 6.5363 6.5363 7.0033 7.0033 7.0033 7.0033 8.0706 8.0706 8.0706 8.0706 8.7307 8.7307 8.7307 8.7307 9.0691 9.0691 9.0691 9.0691 11.2194 11.2194 11.2194 11.2194 13.5234 13.5234 13.5234 13.5234 14.6776 14.6776 14.6776 14.6776 k = 0.0000 0.1846 0.3455 ( 2344 PWs) bands (ev): -8.4083 -8.4083 -8.4083 -8.4083 -7.1895 -7.1895 -7.1895 -7.1895 2.4389 2.4389 2.4389 2.4389 3.5854 3.5854 3.5854 3.5854 5.5849 5.5849 5.5849 5.5849 6.4743 6.4743 6.4743 6.4743 6.9531 6.9531 6.9531 6.9531 8.1234 8.1234 8.1234 8.1234 8.7582 8.7582 8.7582 8.7582 9.1100 9.1100 9.1100 9.1100 11.1997 11.1997 11.1997 11.1997 13.5549 13.5549 13.5549 13.5549 14.6617 14.6617 14.6617 14.6617 k = 0.0000 0.1748 0.3455 ( 2340 PWs) bands (ev): -8.4080 -8.4080 -8.4080 -8.4080 -7.1925 -7.1925 -7.1925 -7.1925 2.4823 2.4823 2.4823 2.4823 3.5965 3.5965 3.5965 3.5965 5.5380 5.5380 5.5380 5.5380 6.4117 6.4117 6.4117 6.4117 6.9039 6.9039 6.9039 6.9039 8.1778 8.1778 8.1778 8.1778 8.7838 8.7838 8.7838 8.7838 9.1504 9.1504 9.1504 9.1504 11.1781 11.1781 11.1781 11.1781 13.5872 13.5872 13.5872 13.5872 14.6456 14.6456 14.6456 14.6456 k = 0.0000 0.1651 0.3455 ( 2344 PWs) bands (ev): -8.4076 -8.4076 -8.4076 -8.4076 -7.1954 -7.1954 -7.1954 -7.1954 2.5271 2.5271 2.5271 2.5271 3.6078 3.6078 3.6078 3.6078 5.4910 5.4910 5.4910 5.4910 6.3491 6.3491 6.3491 6.3491 6.8562 6.8562 6.8562 6.8562 8.2329 8.2329 8.2329 8.2329 8.8077 8.8077 8.8077 8.8077 9.1902 9.1902 9.1902 9.1902 11.1548 11.1548 11.1548 11.1548 13.6201 13.6201 13.6201 13.6201 14.6294 14.6294 14.6294 14.6294 k = 0.0000 0.1554 0.3455 ( 2346 PWs) bands (ev): -8.4073 -8.4073 -8.4073 -8.4073 -7.1983 -7.1983 -7.1983 -7.1983 2.5732 2.5732 2.5732 2.5732 3.6193 3.6193 3.6193 3.6193 5.4438 5.4438 5.4438 5.4438 6.2873 6.2873 6.2873 6.2873 6.8101 6.8101 6.8101 6.8101 8.2880 8.2880 8.2880 8.2880 8.8301 8.8301 8.8301 8.8301 9.2290 9.2290 9.2290 9.2290 11.1299 11.1299 11.1299 11.1299 13.6532 13.6532 13.6532 13.6532 14.6134 14.6134 14.6134 14.6134 k = 0.0000 0.1457 0.3455 ( 2342 PWs) bands (ev): -8.4070 -8.4070 -8.4070 -8.4070 -7.2012 -7.2012 -7.2012 -7.2012 2.6201 2.6201 2.6201 2.6201 3.6310 3.6310 3.6310 3.6310 5.3964 5.3964 5.3964 5.3964 6.2270 6.2270 6.2270 6.2270 6.7660 6.7660 6.7660 6.7660 8.3426 8.3426 8.3426 8.3426 8.8514 8.8514 8.8514 8.8514 9.2667 9.2667 9.2667 9.2667 11.1037 11.1037 11.1037 11.1037 13.6864 13.6864 13.6864 13.6864 14.5976 14.5976 14.5976 14.5976 k = 0.0000 0.1360 0.3455 ( 2342 PWs) bands (ev): -8.4067 -8.4067 -8.4067 -8.4067 -7.2040 -7.2040 -7.2040 -7.2040 2.6678 2.6678 2.6678 2.6678 3.6429 3.6429 3.6429 3.6429 5.3487 5.3487 5.3487 5.3487 6.1688 6.1688 6.1688 6.1688 6.7239 6.7239 6.7239 6.7239 8.3959 8.3959 8.3959 8.3959 8.8719 8.8719 8.8719 8.8719 9.3029 9.3029 9.3029 9.3029 11.0764 11.0764 11.0764 11.0764 13.7192 13.7192 13.7192 13.7192 14.5821 14.5821 14.5821 14.5821 k = 0.0000 0.1263 0.3455 ( 2338 PWs) bands (ev): -8.4063 -8.4063 -8.4063 -8.4063 -7.2067 -7.2067 -7.2067 -7.2067 2.7158 2.7158 2.7158 2.7158 3.6547 3.6547 3.6547 3.6547 5.3008 5.3008 5.3008 5.3008 6.1131 6.1131 6.1131 6.1131 6.6840 6.6840 6.6840 6.6840 8.4472 8.4472 8.4472 8.4472 8.8920 8.8920 8.8920 8.8920 9.3373 9.3373 9.3373 9.3373 11.0483 11.0483 11.0483 11.0483 13.7514 13.7514 13.7514 13.7514 14.5671 14.5671 14.5671 14.5671 k = 0.0000 0.1166 0.3455 ( 2330 PWs) bands (ev): -8.4060 -8.4060 -8.4060 -8.4060 -7.2092 -7.2092 -7.2092 -7.2092 2.7637 2.7637 2.7637 2.7637 3.6666 3.6666 3.6666 3.6666 5.2527 5.2527 5.2527 5.2527 6.0605 6.0605 6.0605 6.0605 6.6465 6.6465 6.6465 6.6465 8.4959 8.4959 8.4959 8.4959 8.9120 8.9120 8.9120 8.9120 9.3699 9.3699 9.3699 9.3699 11.0196 11.0196 11.0196 11.0196 13.7827 13.7827 13.7827 13.7827 14.5527 14.5527 14.5527 14.5527 k = 0.0000 0.1069 0.3455 ( 2326 PWs) bands (ev): -8.4058 -8.4058 -8.4058 -8.4058 -7.2117 -7.2117 -7.2117 -7.2117 2.8112 2.8112 2.8112 2.8112 3.6785 3.6785 3.6785 3.6785 5.2046 5.2046 5.2046 5.2046 6.0115 6.0115 6.0115 6.0115 6.6116 6.6116 6.6116 6.6116 8.5414 8.5414 8.5414 8.5414 8.9324 8.9324 8.9324 8.9324 9.4003 9.4003 9.4003 9.4003 10.9908 10.9908 10.9908 10.9908 13.8126 13.8126 13.8126 13.8126 14.5391 14.5391 14.5391 14.5391 k = 0.0000 0.0971 0.3455 ( 2326 PWs) bands (ev): -8.4055 -8.4055 -8.4055 -8.4055 -7.2140 -7.2140 -7.2140 -7.2140 2.8578 2.8578 2.8578 2.8578 3.6901 3.6901 3.6901 3.6901 5.1569 5.1569 5.1569 5.1569 5.9663 5.9663 5.9663 5.9663 6.5792 6.5792 6.5792 6.5792 8.5830 8.5830 8.5830 8.5830 8.9534 8.9534 8.9534 8.9534 9.4283 9.4283 9.4283 9.4283 10.9621 10.9621 10.9621 10.9621 13.8410 13.8410 13.8410 13.8410 14.5263 14.5263 14.5263 14.5263 k = 0.0000 0.0874 0.3455 ( 2330 PWs) bands (ev): -8.4052 -8.4052 -8.4052 -8.4052 -7.2161 -7.2161 -7.2161 -7.2161 2.9029 2.9029 2.9029 2.9029 3.7016 3.7016 3.7016 3.7016 5.1098 5.1098 5.1098 5.1098 5.9253 5.9253 5.9253 5.9253 6.5496 6.5496 6.5496 6.5496 8.6201 8.6201 8.6201 8.6201 8.9751 8.9751 8.9751 8.9751 9.4539 9.4539 9.4539 9.4539 10.9341 10.9341 10.9341 10.9341 13.8675 13.8675 13.8675 13.8675 14.5144 14.5144 14.5144 14.5144 k = 0.0000 0.0777 0.3455 ( 2338 PWs) bands (ev): -8.4050 -8.4050 -8.4050 -8.4050 -7.2181 -7.2181 -7.2181 -7.2181 2.9459 2.9459 2.9459 2.9459 3.7128 3.7128 3.7128 3.7128 5.0641 5.0641 5.0641 5.0641 5.8885 5.8885 5.8885 5.8885 6.5227 6.5227 6.5227 6.5227 8.6525 8.6525 8.6525 8.6525 8.9975 8.9975 8.9975 8.9975 9.4768 9.4768 9.4768 9.4768 10.9071 10.9071 10.9071 10.9071 13.8919 13.8919 13.8919 13.8919 14.5036 14.5036 14.5036 14.5036 k = 0.0000 0.0680 0.3455 ( 2340 PWs) bands (ev): -8.4048 -8.4048 -8.4048 -8.4048 -7.2199 -7.2199 -7.2199 -7.2199 2.9863 2.9863 2.9863 2.9863 3.7235 3.7235 3.7235 3.7235 5.0204 5.0204 5.0204 5.0204 5.8562 5.8562 5.8562 5.8562 6.4989 6.4989 6.4989 6.4989 8.6800 8.6800 8.6800 8.6800 9.0202 9.0202 9.0202 9.0202 9.4970 9.4970 9.4970 9.4970 10.8817 10.8817 10.8817 10.8817 13.9139 13.9139 13.9139 13.9139 14.4940 14.4940 14.4940 14.4940 k = 0.0000 0.0583 0.3455 ( 2338 PWs) bands (ev): -8.4046 -8.4046 -8.4046 -8.4046 -7.2214 -7.2214 -7.2214 -7.2214 3.0233 3.0233 3.0233 3.0233 3.7337 3.7337 3.7337 3.7337 4.9795 4.9795 4.9795 4.9795 5.8282 5.8282 5.8282 5.8282 6.4780 6.4780 6.4780 6.4780 8.7027 8.7027 8.7027 8.7027 9.0425 9.0425 9.0425 9.0425 9.5144 9.5144 9.5144 9.5144 10.8583 10.8583 10.8583 10.8583 13.9334 13.9334 13.9334 13.9334 14.4855 14.4855 14.4855 14.4855 k = 0.0000 0.0486 0.3455 ( 2342 PWs) bands (ev): -8.4045 -8.4045 -8.4045 -8.4045 -7.2228 -7.2228 -7.2228 -7.2228 3.0562 3.0562 3.0562 3.0562 3.7431 3.7431 3.7431 3.7431 4.9424 4.9424 4.9424 4.9424 5.8047 5.8047 5.8047 5.8047 6.4602 6.4602 6.4602 6.4602 8.7210 8.7210 8.7210 8.7210 9.0638 9.0638 9.0638 9.0638 9.5290 9.5290 9.5290 9.5290 10.8375 10.8375 10.8375 10.8375 13.9502 13.9502 13.9502 13.9502 14.4783 14.4783 14.4783 14.4783 k = 0.0000 0.0389 0.3455 ( 2342 PWs) bands (ev): -8.4044 -8.4044 -8.4044 -8.4044 -7.2239 -7.2239 -7.2239 -7.2239 3.0843 3.0843 3.0843 3.0843 3.7514 3.7514 3.7514 3.7514 4.9101 4.9101 4.9101 4.9101 5.7855 5.7855 5.7855 5.7855 6.4455 6.4455 6.4455 6.4455 8.7353 8.7353 8.7353 8.7353 9.0829 9.0829 9.0829 9.0829 9.5407 9.5407 9.5407 9.5407 10.8196 10.8196 10.8196 10.8196 13.9640 13.9640 13.9640 13.9640 14.4724 14.4724 14.4724 14.4724 k = 0.0000 0.0291 0.3455 ( 2346 PWs) bands (ev): -8.4043 -8.4043 -8.4043 -8.4043 -7.2247 -7.2247 -7.2247 -7.2247 3.1069 3.1069 3.1069 3.1069 3.7584 3.7584 3.7584 3.7584 4.8836 4.8836 4.8836 4.8836 5.7707 5.7707 5.7707 5.7707 6.4340 6.4340 6.4340 6.4340 8.7458 8.7458 8.7458 8.7458 9.0990 9.0990 9.0990 9.0990 9.5498 9.5498 9.5498 9.5498 10.8052 10.8052 10.8052 10.8052 13.9749 13.9749 13.9749 13.9749 14.4678 14.4678 14.4678 14.4678 k = 0.0000 0.0194 0.3455 ( 2346 PWs) bands (ev): -8.4042 -8.4042 -8.4042 -8.4042 -7.2254 -7.2254 -7.2254 -7.2254 3.1235 3.1235 3.1235 3.1235 3.7637 3.7637 3.7637 3.7637 4.8639 4.8639 4.8639 4.8639 5.7602 5.7602 5.7602 5.7602 6.4258 6.4258 6.4258 6.4258 8.7531 8.7531 8.7531 8.7531 9.1111 9.1111 9.1111 9.1111 9.5561 9.5561 9.5561 9.5561 10.7946 10.7946 10.7946 10.7946 13.9827 13.9827 13.9827 13.9827 14.4646 14.4646 14.4646 14.4646 k = 0.0000 0.0097 0.3455 ( 2342 PWs) bands (ev): -8.4041 -8.4041 -8.4041 -8.4041 -7.2257 -7.2257 -7.2257 -7.2257 3.1337 3.1337 3.1337 3.1337 3.7671 3.7671 3.7671 3.7671 4.8517 4.8517 4.8517 4.8517 5.7539 5.7539 5.7539 5.7539 6.4208 6.4208 6.4208 6.4208 8.7574 8.7574 8.7574 8.7574 9.1187 9.1187 9.1187 9.1187 9.5599 9.5599 9.5599 9.5599 10.7881 10.7881 10.7881 10.7881 13.9875 13.9875 13.9875 13.9875 14.4626 14.4626 14.4626 14.4626 k = 0.0000 0.0000 0.3455 ( 2350 PWs) bands (ev): -8.4041 -8.4041 -8.4041 -8.4041 -7.2259 -7.2259 -7.2259 -7.2259 3.1371 3.1371 3.1371 3.1371 3.7682 3.7682 3.7682 3.7682 4.8476 4.8476 4.8476 4.8476 5.7518 5.7518 5.7518 5.7518 6.4192 6.4192 6.4192 6.4192 8.7587 8.7587 8.7587 8.7587 9.1213 9.1213 9.1213 9.1213 9.5612 9.5612 9.5612 9.5612 10.7859 10.7859 10.7859 10.7859 13.9890 13.9890 13.9890 13.9890 14.4620 14.4620 14.4620 14.4620 k = 0.0000 0.3497-0.0000 ( 2354 PWs) bands (ev): -8.3479 -8.3479 -8.3479 -8.3479 -7.3065 -7.3065 -7.3065 -7.3065 3.1744 3.1744 3.1744 3.1744 3.7032 3.7032 3.7032 3.7032 4.8242 4.8242 4.8242 4.8242 5.5246 5.5246 5.5246 5.5246 6.5658 6.5658 6.5658 6.5658 8.9011 8.9011 8.9011 8.9011 9.3824 9.3824 9.3824 9.3824 9.5516 9.5516 9.5516 9.5516 11.0055 11.0055 11.0055 11.0055 14.2050 14.2050 14.2050 14.2050 14.4536 14.4536 14.4536 14.4536 k = 0.0000 0.3497 0.0099 ( 2356 PWs) bands (ev): -8.3480 -8.3480 -8.3480 -8.3480 -7.3062 -7.3062 -7.3062 -7.3062 3.1708 3.1708 3.1708 3.1708 3.7020 3.7020 3.7020 3.7020 4.8288 4.8288 4.8288 4.8288 5.5269 5.5269 5.5269 5.5269 6.5672 6.5672 6.5672 6.5672 8.8996 8.8996 8.8996 8.8996 9.3797 9.3797 9.3797 9.3797 9.5501 9.5501 9.5501 9.5501 11.0070 11.0070 11.0070 11.0070 14.2040 14.2040 14.2040 14.2040 14.4530 14.4530 14.4530 14.4530 k = 0.0000 0.3497 0.0197 ( 2356 PWs) bands (ev): -8.3485 -8.3485 -8.3485 -8.3485 -7.3053 -7.3053 -7.3053 -7.3053 3.1600 3.1600 3.1600 3.1600 3.6983 3.6983 3.6983 3.6983 4.8423 4.8423 4.8423 4.8423 5.5338 5.5338 5.5338 5.5338 6.5714 6.5714 6.5714 6.5714 8.8951 8.8951 8.8951 8.8951 9.3719 9.3719 9.3719 9.3719 9.5455 9.5455 9.5455 9.5455 11.0115 11.0115 11.0115 11.0115 14.2007 14.2007 14.2007 14.2007 14.4514 14.4514 14.4514 14.4514 k = 0.0000 0.3497 0.0296 ( 2356 PWs) bands (ev): -8.3492 -8.3492 -8.3492 -8.3492 -7.3038 -7.3038 -7.3038 -7.3038 3.1424 3.1424 3.1424 3.1424 3.6926 3.6926 3.6926 3.6926 4.8640 4.8640 4.8640 4.8640 5.5454 5.5454 5.5454 5.5454 6.5784 6.5784 6.5784 6.5784 8.8875 8.8875 8.8875 8.8875 9.3592 9.3592 9.3592 9.3592 9.5378 9.5378 9.5378 9.5378 11.0189 11.0189 11.0189 11.0189 14.1947 14.1947 14.1947 14.1947 14.4493 14.4493 14.4493 14.4493 k = 0.0000 0.3497 0.0395 ( 2344 PWs) bands (ev): -8.3501 -8.3501 -8.3501 -8.3501 -7.3017 -7.3017 -7.3017 -7.3017 3.1182 3.1182 3.1182 3.1182 3.6853 3.6853 3.6853 3.6853 4.8930 4.8930 4.8930 4.8930 5.5617 5.5617 5.5617 5.5617 6.5882 6.5882 6.5882 6.5882 8.8768 8.8768 8.8768 8.8768 9.3418 9.3418 9.3418 9.3418 9.5271 9.5271 9.5271 9.5271 11.0289 11.0289 11.0289 11.0289 14.1855 14.1855 14.1855 14.1855 14.4474 14.4474 14.4474 14.4474 k = 0.0000 0.3497 0.0494 ( 2348 PWs) bands (ev): -8.3514 -8.3514 -8.3514 -8.3514 -7.2990 -7.2990 -7.2990 -7.2990 3.0882 3.0882 3.0882 3.0882 3.6769 3.6769 3.6769 3.6769 4.9282 4.9282 4.9282 4.9282 5.5829 5.5829 5.5829 5.5829 6.6007 6.6007 6.6007 6.6007 8.8628 8.8628 8.8628 8.8628 9.3201 9.3201 9.3201 9.3201 9.5135 9.5135 9.5135 9.5135 11.0412 11.0412 11.0412 11.0412 14.1723 14.1723 14.1723 14.1723 14.4465 14.4465 14.4465 14.4465 k = 0.0000 0.3497 0.0592 ( 2352 PWs) bands (ev): -8.3529 -8.3529 -8.3529 -8.3529 -7.2958 -7.2958 -7.2958 -7.2958 3.0530 3.0530 3.0530 3.0530 3.6678 3.6678 3.6678 3.6678 4.9681 4.9681 4.9681 4.9681 5.6090 5.6090 5.6090 5.6090 6.6159 6.6159 6.6159 6.6159 8.8455 8.8455 8.8455 8.8455 9.2948 9.2948 9.2948 9.2948 9.4970 9.4970 9.4970 9.4970 11.0556 11.0556 11.0556 11.0556 14.1547 14.1547 14.1547 14.1547 14.4475 14.4475 14.4475 14.4475 k = 0.0000 0.3497 0.0691 ( 2360 PWs) bands (ev): -8.3546 -8.3546 -8.3546 -8.3546 -7.2920 -7.2920 -7.2920 -7.2920 3.0134 3.0134 3.0134 3.0134 3.6583 3.6583 3.6583 3.6583 5.0118 5.0118 5.0118 5.0118 5.6402 5.6402 5.6402 5.6402 6.6337 6.6337 6.6337 6.6337 8.8248 8.8248 8.8248 8.8248 9.2662 9.2662 9.2662 9.2662 9.4778 9.4778 9.4778 9.4778 11.0716 11.0716 11.0716 11.0716 14.1323 14.1323 14.1323 14.1323 14.4509 14.4509 14.4509 14.4509 k = 0.0000 0.3497 0.0790 ( 2368 PWs) bands (ev): -8.3565 -8.3565 -8.3565 -8.3565 -7.2878 -7.2878 -7.2878 -7.2878 2.9701 2.9701 2.9701 2.9701 3.6487 3.6487 3.6487 3.6487 5.0580 5.0580 5.0580 5.0580 5.6764 5.6764 5.6764 5.6764 6.6542 6.6542 6.6542 6.6542 8.8004 8.8004 8.8004 8.8004 9.2350 9.2350 9.2350 9.2350 9.4559 9.4559 9.4559 9.4559 11.0890 11.0890 11.0890 11.0890 14.1051 14.1051 14.1051 14.1051 14.4569 14.4569 14.4569 14.4569 k = 0.0000 0.3497 0.0888 ( 2368 PWs) bands (ev): -8.3587 -8.3587 -8.3587 -8.3587 -7.2831 -7.2831 -7.2831 -7.2831 2.9240 2.9240 2.9240 2.9240 3.6391 3.6391 3.6391 3.6391 5.1058 5.1058 5.1058 5.1058 5.7178 5.7178 5.7178 5.7178 6.6772 6.6772 6.6772 6.6772 8.7723 8.7723 8.7723 8.7723 9.2017 9.2017 9.2017 9.2017 9.4315 9.4315 9.4315 9.4315 11.1073 11.1073 11.1073 11.1073 14.0736 14.0736 14.0736 14.0736 14.4655 14.4655 14.4655 14.4655 k = 0.0000 0.3497 0.0987 ( 2360 PWs) bands (ev): -8.3609 -8.3609 -8.3609 -8.3609 -7.2780 -7.2780 -7.2780 -7.2780 2.8757 2.8757 2.8757 2.8757 3.6296 3.6296 3.6296 3.6296 5.1545 5.1545 5.1545 5.1545 5.7641 5.7641 5.7641 5.7641 6.7026 6.7026 6.7026 6.7026 8.7404 8.7404 8.7404 8.7404 9.1667 9.1667 9.1667 9.1667 9.4047 9.4047 9.4047 9.4047 11.1262 11.1262 11.1262 11.1262 14.0381 14.0381 14.0381 14.0381 14.4766 14.4766 14.4766 14.4766 k = 0.0000 0.3497 0.1086 ( 2356 PWs) bands (ev): -8.3634 -8.3634 -8.3634 -8.3634 -7.2726 -7.2726 -7.2726 -7.2726 2.8259 2.8259 2.8259 2.8259 3.6201 3.6201 3.6201 3.6201 5.2036 5.2036 5.2036 5.2036 5.8152 5.8152 5.8152 5.8152 6.7305 6.7305 6.7305 6.7305 8.7048 8.7048 8.7048 8.7048 9.1304 9.1304 9.1304 9.1304 9.3759 9.3759 9.3759 9.3759 11.1453 11.1453 11.1453 11.1453 13.9993 13.9993 13.9993 13.9993 14.4898 14.4898 14.4898 14.4898 k = 0.0000 0.3497 0.1185 ( 2352 PWs) bands (ev): -8.3660 -8.3660 -8.3660 -8.3660 -7.2668 -7.2668 -7.2668 -7.2668 2.7752 2.7752 2.7752 2.7752 3.6108 3.6108 3.6108 3.6108 5.2528 5.2528 5.2528 5.2528 5.8705 5.8705 5.8705 5.8705 6.7606 6.7606 6.7606 6.7606 8.6655 8.6655 8.6655 8.6655 9.0931 9.0931 9.0931 9.0931 9.3451 9.3451 9.3451 9.3451 11.1644 11.1644 11.1644 11.1644 13.9578 13.9578 13.9578 13.9578 14.5048 14.5048 14.5048 14.5048 k = 0.0000 0.3497 0.1283 ( 2350 PWs) bands (ev): -8.3687 -8.3687 -8.3687 -8.3687 -7.2607 -7.2607 -7.2607 -7.2607 2.7242 2.7242 2.7242 2.7242 3.6017 3.6017 3.6017 3.6017 5.3018 5.3018 5.3018 5.3018 5.9298 5.9298 5.9298 5.9298 6.7930 6.7930 6.7930 6.7930 8.6228 8.6228 8.6228 8.6228 9.0550 9.0550 9.0550 9.0550 9.3125 9.3125 9.3125 9.3125 11.1832 11.1832 11.1832 11.1832 13.9142 13.9142 13.9142 13.9142 14.5213 14.5213 14.5213 14.5213 k = 0.0000 0.3497 0.1382 ( 2354 PWs) bands (ev): -8.3714 -8.3714 -8.3714 -8.3714 -7.2545 -7.2545 -7.2545 -7.2545 2.6732 2.6732 2.6732 2.6732 3.5927 3.5927 3.5927 3.5927 5.3506 5.3506 5.3506 5.3506 5.9923 5.9923 5.9923 5.9923 6.8275 6.8275 6.8275 6.8275 8.5770 8.5770 8.5770 8.5770 9.0163 9.0163 9.0163 9.0163 9.2783 9.2783 9.2783 9.2783 11.2014 11.2014 11.2014 11.2014 13.8692 13.8692 13.8692 13.8692 14.5390 14.5390 14.5390 14.5390 k = 0.0000 0.3497 0.1481 ( 2354 PWs) bands (ev): -8.3743 -8.3743 -8.3743 -8.3743 -7.2480 -7.2480 -7.2480 -7.2480 2.6227 2.6227 2.6227 2.6227 3.5839 3.5839 3.5839 3.5839 5.3993 5.3993 5.3993 5.3993 6.0575 6.0575 6.0575 6.0575 6.8640 6.8640 6.8640 6.8640 8.5285 8.5285 8.5285 8.5285 8.9768 8.9768 8.9768 8.9768 9.2428 9.2428 9.2428 9.2428 11.2187 11.2187 11.2187 11.2187 13.8233 13.8233 13.8233 13.8233 14.5576 14.5576 14.5576 14.5576 k = 0.0000 0.3497 0.1579 ( 2358 PWs) bands (ev): -8.3771 -8.3771 -8.3771 -8.3771 -7.2415 -7.2415 -7.2415 -7.2415 2.5730 2.5730 2.5730 2.5730 3.5752 3.5752 3.5752 3.5752 5.4480 5.4480 5.4480 5.4480 6.1247 6.1247 6.1247 6.1247 6.9024 6.9024 6.9024 6.9024 8.4777 8.4777 8.4777 8.4777 8.9366 8.9366 8.9366 8.9366 9.2061 9.2061 9.2061 9.2061 11.2350 11.2350 11.2350 11.2350 13.7771 13.7771 13.7771 13.7771 14.5768 14.5768 14.5768 14.5768 k = 0.0000 0.3497 0.1678 ( 2360 PWs) bands (ev): -8.3800 -8.3800 -8.3800 -8.3800 -7.2348 -7.2348 -7.2348 -7.2348 2.5245 2.5245 2.5245 2.5245 3.5668 3.5668 3.5668 3.5668 5.4968 5.4968 5.4968 5.4968 6.1931 6.1931 6.1931 6.1931 6.9426 6.9426 6.9426 6.9426 8.4252 8.4252 8.4252 8.4252 8.8956 8.8956 8.8956 8.8956 9.1683 9.1683 9.1683 9.1683 11.2502 11.2502 11.2502 11.2502 13.7310 13.7310 13.7310 13.7310 14.5965 14.5965 14.5965 14.5965 k = 0.0000 0.3497 0.1777 ( 2360 PWs) bands (ev): -8.3829 -8.3829 -8.3829 -8.3829 -7.2282 -7.2282 -7.2282 -7.2282 2.4774 2.4774 2.4774 2.4774 3.5586 3.5586 3.5586 3.5586 5.5457 5.5457 5.5457 5.5457 6.2621 6.2621 6.2621 6.2621 6.9844 6.9844 6.9844 6.9844 8.3716 8.3716 8.3716 8.3716 8.8537 8.8537 8.8537 8.8537 9.1296 9.1296 9.1296 9.1296 11.2640 11.2640 11.2640 11.2640 13.6855 13.6855 13.6855 13.6855 14.6163 14.6163 14.6163 14.6163 k = 0.0000 0.3497 0.1876 ( 2364 PWs) bands (ev): -8.3857 -8.3857 -8.3857 -8.3857 -7.2216 -7.2216 -7.2216 -7.2216 2.4319 2.4319 2.4319 2.4319 3.5506 3.5506 3.5506 3.5506 5.5949 5.5949 5.5949 5.5949 6.3309 6.3309 6.3309 6.3309 7.0277 7.0277 7.0277 7.0277 8.3175 8.3175 8.3175 8.3175 8.8110 8.8110 8.8110 8.8110 9.0901 9.0901 9.0901 9.0901 11.2764 11.2764 11.2764 11.2764 13.6410 13.6410 13.6410 13.6410 14.6361 14.6361 14.6361 14.6361 k = 0.0000 0.3497 0.1974 ( 2348 PWs) bands (ev): -8.3884 -8.3884 -8.3884 -8.3884 -7.2151 -7.2151 -7.2151 -7.2151 2.3883 2.3883 2.3883 2.3883 3.5430 3.5430 3.5430 3.5430 5.6443 5.6443 5.6443 5.6443 6.3988 6.3988 6.3988 6.3988 7.0724 7.0724 7.0724 7.0724 8.2637 8.2637 8.2637 8.2637 8.7675 8.7675 8.7675 8.7675 9.0499 9.0499 9.0499 9.0499 11.2874 11.2874 11.2874 11.2874 13.5979 13.5979 13.5979 13.5979 14.6557 14.6557 14.6557 14.6557 k = 0.0000 0.3497 0.2073 ( 2348 PWs) bands (ev): -8.3911 -8.3911 -8.3911 -8.3911 -7.2088 -7.2088 -7.2088 -7.2088 2.3467 2.3467 2.3467 2.3467 3.5357 3.5357 3.5357 3.5357 5.6941 5.6941 5.6941 5.6941 6.4650 6.4650 6.4650 6.4650 7.1180 7.1180 7.1180 7.1180 8.2109 8.2109 8.2109 8.2109 8.7232 8.7232 8.7232 8.7232 9.0091 9.0091 9.0091 9.0091 11.2968 11.2968 11.2968 11.2968 13.5566 13.5566 13.5566 13.5566 14.6748 14.6748 14.6748 14.6748 k = 0.0000 0.3497 0.2172 ( 2348 PWs) bands (ev): -8.3937 -8.3937 -8.3937 -8.3937 -7.2026 -7.2026 -7.2026 -7.2026 2.3074 2.3074 2.3074 2.3074 3.5287 3.5287 3.5287 3.5287 5.7440 5.7440 5.7440 5.7440 6.5286 6.5286 6.5286 6.5286 7.1645 7.1645 7.1645 7.1645 8.1599 8.1599 8.1599 8.1599 8.6783 8.6783 8.6783 8.6783 8.9676 8.9676 8.9676 8.9676 11.3047 11.3047 11.3047 11.3047 13.5174 13.5174 13.5174 13.5174 14.6934 14.6934 14.6934 14.6934 k = 0.0000 0.3497 0.2270 ( 2350 PWs) bands (ev): -8.3961 -8.3961 -8.3961 -8.3961 -7.1967 -7.1967 -7.1967 -7.1967 2.2704 2.2704 2.2704 2.2704 3.5221 3.5221 3.5221 3.5221 5.7941 5.7941 5.7941 5.7941 6.5888 6.5888 6.5888 6.5888 7.2116 7.2116 7.2116 7.2116 8.1115 8.1115 8.1115 8.1115 8.6331 8.6331 8.6331 8.6331 8.9256 8.9256 8.9256 8.9256 11.3112 11.3112 11.3112 11.3112 13.4805 13.4805 13.4805 13.4805 14.7113 14.7113 14.7113 14.7113 k = 0.0000 0.3497 0.2369 ( 2344 PWs) bands (ev): -8.3985 -8.3985 -8.3985 -8.3985 -7.1911 -7.1911 -7.1911 -7.1911 2.2359 2.2359 2.2359 2.2359 3.5159 3.5159 3.5159 3.5159 5.8442 5.8442 5.8442 5.8442 6.6445 6.6445 6.6445 6.6445 7.2589 7.2589 7.2589 7.2589 8.0667 8.0667 8.0667 8.0667 8.5881 8.5881 8.5881 8.5881 8.8830 8.8830 8.8830 8.8830 11.3162 11.3162 11.3162 11.3162 13.4461 13.4461 13.4461 13.4461 14.7283 14.7283 14.7283 14.7283 k = 0.0000 0.3497 0.2468 ( 2352 PWs) bands (ev): -8.4007 -8.4007 -8.4007 -8.4007 -7.1858 -7.1858 -7.1858 -7.1858 2.2040 2.2040 2.2040 2.2040 3.5102 3.5102 3.5102 3.5102 5.8939 5.8939 5.8939 5.8939 6.6949 6.6949 6.6949 6.6949 7.3062 7.3062 7.3062 7.3062 8.0263 8.0263 8.0263 8.0263 8.5437 8.5437 8.5437 8.5437 8.8399 8.8399 8.8399 8.8399 11.3200 11.3200 11.3200 11.3200 13.4144 13.4144 13.4144 13.4144 14.7443 14.7443 14.7443 14.7443 k = 0.0000 0.3497 0.2566 ( 2348 PWs) bands (ev): -8.4027 -8.4027 -8.4027 -8.4027 -7.1808 -7.1808 -7.1808 -7.1808 2.1749 2.1749 2.1749 2.1749 3.5049 3.5049 3.5049 3.5049 5.9430 5.9430 5.9430 5.9430 6.7389 6.7389 6.7389 6.7389 7.3531 7.3531 7.3531 7.3531 7.9909 7.9909 7.9909 7.9909 8.5006 8.5006 8.5006 8.5006 8.7963 8.7963 8.7963 8.7963 11.3227 11.3227 11.3227 11.3227 13.3856 13.3856 13.3856 13.3856 14.7592 14.7592 14.7592 14.7592 k = 0.0000 0.3497 0.2665 ( 2340 PWs) bands (ev): -8.4045 -8.4045 -8.4045 -8.4045 -7.1763 -7.1763 -7.1763 -7.1763 2.1486 2.1486 2.1486 2.1486 3.5001 3.5001 3.5001 3.5001 5.9911 5.9911 5.9911 5.9911 6.7756 6.7756 6.7756 6.7756 7.3995 7.3995 7.3995 7.3995 7.9611 7.9611 7.9611 7.9611 8.4598 8.4598 8.4598 8.4598 8.7525 8.7525 8.7525 8.7525 11.3244 11.3244 11.3244 11.3244 13.3598 13.3598 13.3598 13.3598 14.7728 14.7728 14.7728 14.7728 k = 0.0000 0.3497 0.2764 ( 2340 PWs) bands (ev): -8.4062 -8.4062 -8.4062 -8.4062 -7.1723 -7.1723 -7.1723 -7.1723 2.1252 2.1252 2.1252 2.1252 3.4958 3.4958 3.4958 3.4958 6.0375 6.0375 6.0375 6.0375 6.8042 6.8042 6.8042 6.8042 7.4452 7.4452 7.4452 7.4452 7.9365 7.9365 7.9365 7.9365 8.4225 8.4225 8.4225 8.4225 8.7087 8.7087 8.7087 8.7087 11.3253 11.3253 11.3253 11.3253 13.3370 13.3370 13.3370 13.3370 14.7850 14.7850 14.7850 14.7850 k = 0.0000 0.3497 0.2863 ( 2336 PWs) bands (ev): -8.4076 -8.4076 -8.4076 -8.4076 -7.1687 -7.1687 -7.1687 -7.1687 2.1047 2.1047 2.1047 2.1047 3.4920 3.4920 3.4920 3.4920 6.0816 6.0816 6.0816 6.0816 6.8248 6.8248 6.8248 6.8248 7.4902 7.4902 7.4902 7.4902 7.9161 7.9161 7.9161 7.9161 8.3902 8.3902 8.3902 8.3902 8.6651 8.6651 8.6651 8.6651 11.3256 11.3256 11.3256 11.3256 13.3172 13.3172 13.3172 13.3172 14.7958 14.7958 14.7958 14.7958 k = 0.0000 0.3497 0.2961 ( 2336 PWs) bands (ev): -8.4089 -8.4089 -8.4089 -8.4089 -7.1656 -7.1656 -7.1656 -7.1656 2.0873 2.0873 2.0873 2.0873 3.4888 3.4888 3.4888 3.4888 6.1224 6.1224 6.1224 6.1224 6.8376 6.8376 6.8376 6.8376 7.5344 7.5344 7.5344 7.5344 7.8981 7.8981 7.8981 7.8981 8.3646 8.3646 8.3646 8.3646 8.6224 8.6224 8.6224 8.6224 11.3254 11.3254 11.3254 11.3254 13.3005 13.3005 13.3005 13.3005 14.8050 14.8050 14.8050 14.8050 k = 0.0000 0.3497 0.3060 ( 2332 PWs) bands (ev): -8.4099 -8.4099 -8.4099 -8.4099 -7.1630 -7.1630 -7.1630 -7.1630 2.0730 2.0730 2.0730 2.0730 3.4862 3.4862 3.4862 3.4862 6.1588 6.1588 6.1588 6.1588 6.8438 6.8438 6.8438 6.8438 7.5776 7.5776 7.5776 7.5776 7.8801 7.8801 7.8801 7.8801 8.3473 8.3473 8.3473 8.3473 8.5814 8.5814 8.5814 8.5814 11.3250 11.3250 11.3250 11.3250 13.2868 13.2868 13.2868 13.2868 14.8127 14.8127 14.8127 14.8127 k = 0.0000 0.3497 0.3159 ( 2328 PWs) bands (ev): -8.4107 -8.4107 -8.4107 -8.4107 -7.1610 -7.1610 -7.1610 -7.1610 2.0619 2.0619 2.0619 2.0619 3.4841 3.4841 3.4841 3.4841 6.1895 6.1895 6.1895 6.1895 6.8454 6.8454 6.8454 6.8454 7.6193 7.6193 7.6193 7.6193 7.8602 7.8602 7.8602 7.8602 8.3389 8.3389 8.3389 8.3389 8.5433 8.5433 8.5433 8.5433 11.3246 11.3246 11.3246 11.3246 13.2763 13.2763 13.2763 13.2763 14.8188 14.8188 14.8188 14.8188 k = 0.0000 0.3497 0.3257 ( 2336 PWs) bands (ev): -8.4113 -8.4113 -8.4113 -8.4113 -7.1596 -7.1596 -7.1596 -7.1596 2.0539 2.0539 2.0539 2.0539 3.4826 3.4826 3.4826 3.4826 6.2128 6.2128 6.2128 6.2128 6.8443 6.8443 6.8443 6.8443 7.6580 7.6580 7.6580 7.6580 7.8380 7.8380 7.8380 7.8380 8.3384 8.3384 8.3384 8.3384 8.5103 8.5103 8.5103 8.5103 11.3241 11.3241 11.3241 11.3241 13.2687 13.2687 13.2687 13.2687 14.8231 14.8231 14.8231 14.8231 k = 0.0000 0.3497 0.3356 ( 2336 PWs) bands (ev): -8.4117 -8.4117 -8.4117 -8.4117 -7.1587 -7.1587 -7.1587 -7.1587 2.0491 2.0491 2.0491 2.0491 3.4817 3.4817 3.4817 3.4817 6.2276 6.2276 6.2276 6.2276 6.8426 6.8426 6.8426 6.8426 7.6897 7.6897 7.6897 7.6897 7.8164 7.8164 7.8164 7.8164 8.3424 8.3424 8.3424 8.3424 8.4865 8.4865 8.4865 8.4865 11.3238 11.3238 11.3238 11.3238 13.2642 13.2642 13.2642 13.2642 14.8257 14.8257 14.8257 14.8257 k = 0.0000 0.3497 0.3455 ( 2328 PWs) bands (ev): -8.4118 -8.4118 -8.4118 -8.4118 -7.1584 -7.1584 -7.1584 -7.1584 2.0475 2.0475 2.0475 2.0475 3.4814 3.4814 3.4814 3.4814 6.2327 6.2327 6.2327 6.2327 6.8418 6.8418 6.8418 6.8418 7.7038 7.7038 7.7038 7.7038 7.8057 7.8057 7.8057 7.8057 8.3449 8.3449 8.3449 8.3449 8.4775 8.4775 8.4775 8.4775 11.3237 11.3237 11.3237 11.3237 13.2627 13.2627 13.2627 13.2627 14.8266 14.8266 14.8266 14.8266 k = 0.5000-0.0000 0.3455 ( 2332 PWs) bands (ev): -7.7703 -7.7703 -7.7678 -7.7678 -7.4929 -7.4929 -7.3823 -7.3823 2.8751 2.8751 2.9381 2.9381 3.6711 3.6711 3.7448 3.7448 5.5413 5.5413 6.0452 6.0452 6.4058 6.4058 6.6321 6.6321 6.7168 6.7168 6.8569 6.8569 7.6843 7.6843 7.7798 7.7798 8.5114 8.5114 8.6169 8.6169 8.6279 8.6279 8.8903 8.8903 11.1299 11.1299 11.3408 11.3408 12.1427 12.1427 12.3092 12.3092 15.1637 15.1637 15.2628 15.2628 k = 0.5000-0.0000 0.3356 ( 2332 PWs) bands (ev): -7.7704 -7.7704 -7.7679 -7.7679 -7.4928 -7.4928 -7.3823 -7.3823 2.8765 2.8765 2.9394 2.9394 3.6709 3.6709 3.7441 3.7441 5.5415 5.5415 6.0441 6.0441 6.4020 6.4020 6.6128 6.6128 6.7369 6.7369 6.8607 6.8607 7.6765 7.6765 7.7738 7.7738 8.5110 8.5110 8.6248 8.6248 8.6271 8.6271 8.8967 8.8967 11.1310 11.1310 11.3418 11.3418 12.1431 12.1431 12.3094 12.3094 15.1611 15.1611 15.2604 15.2604 k = 0.5000-0.0000 0.3257 ( 2336 PWs) bands (ev): -7.7706 -7.7706 -7.7681 -7.7681 -7.4926 -7.4926 -7.3824 -7.3824 2.8807 2.8807 2.9432 2.9432 3.6704 3.6704 3.7423 3.7423 5.5420 5.5420 6.0407 6.0407 6.3912 6.3912 6.5761 6.5761 6.7761 6.7761 6.8717 6.8717 7.6538 7.6538 7.7562 7.7562 8.5104 8.5104 8.6250 8.6250 8.6473 8.6473 8.9152 8.9152 11.1342 11.1342 11.3451 11.3451 12.1441 12.1441 12.3101 12.3101 15.1533 15.1533 15.2533 15.2533 k = 0.5000-0.0000 0.3159 ( 2336 PWs) bands (ev): -7.7709 -7.7709 -7.7685 -7.7685 -7.4923 -7.4923 -7.3826 -7.3826 2.8876 2.8876 2.9494 2.9494 3.6697 3.6697 3.7393 3.7393 5.5429 5.5429 6.0351 6.0351 6.3743 6.3743 6.5360 6.5360 6.8202 6.8202 6.8889 6.8889 7.6182 7.6182 7.7279 7.7279 8.5100 8.5100 8.6225 8.6225 8.6819 8.6819 8.9442 8.9442 11.1395 11.1395 11.3505 11.3505 12.1460 12.1460 12.3112 12.3112 15.1404 15.1404 15.2414 15.2414 k = 0.5000-0.0000 0.3060 ( 2336 PWs) bands (ev): -7.7713 -7.7713 -7.7690 -7.7690 -7.4919 -7.4919 -7.3829 -7.3829 2.8973 2.8973 2.9582 2.9582 3.6686 3.6686 3.7351 3.7351 5.5440 5.5440 6.0272 6.0272 6.3523 6.3523 6.4957 6.4957 6.8660 6.8660 6.9111 6.9111 7.5720 7.5720 7.6905 7.6905 8.5103 8.5103 8.6201 8.6201 8.7260 8.7260 8.9815 8.9815 11.1468 11.1468 11.3579 11.3579 12.1487 12.1487 12.3128 12.3128 15.1225 15.1225 15.2249 15.2249 k = 0.5000-0.0000 0.2961 ( 2328 PWs) bands (ev): -7.7719 -7.7719 -7.7697 -7.7697 -7.4914 -7.4914 -7.3833 -7.3833 2.9097 2.9097 2.9693 2.9693 3.6674 3.6674 3.7298 3.7298 5.5455 5.5455 6.0171 6.0171 6.3263 6.3263 6.4559 6.4559 6.9125 6.9125 6.9370 6.9370 7.5179 7.5179 7.6455 7.6455 8.5112 8.5112 8.6183 8.6183 8.7771 8.7771 9.0254 9.0254 11.1559 11.1559 11.3672 11.3672 12.1523 12.1523 12.3151 12.3151 15.0996 15.0996 15.2038 15.2038 k = 0.5000-0.0000 0.2863 ( 2332 PWs) bands (ev): -7.7726 -7.7726 -7.7705 -7.7705 -7.4908 -7.4908 -7.3838 -7.3838 2.9248 2.9248 2.9827 2.9827 3.6661 3.6661 3.7236 3.7236 5.5472 5.5472 6.0049 6.0049 6.2974 6.2974 6.4170 6.4170 6.9592 6.9592 6.9653 6.9653 7.4580 7.4580 7.5947 7.5947 8.5126 8.5126 8.6173 8.6173 8.8335 8.8335 9.0742 9.0742 11.1667 11.1667 11.3782 11.3782 12.1569 12.1569 12.3180 12.3180 15.0721 15.0721 15.1783 15.1783 k = 0.5000-0.0000 0.2764 ( 2340 PWs) bands (ev): -7.7734 -7.7734 -7.7715 -7.7715 -7.4900 -7.4900 -7.3843 -7.3843 2.9425 2.9425 2.9984 2.9984 3.6647 3.6647 3.7165 3.7165 5.5491 5.5491 5.9905 5.9905 6.2662 6.2662 6.3791 6.3791 6.9948 6.9948 7.0051 7.0051 7.3946 7.3946 7.5399 7.5399 8.5144 8.5144 8.6170 8.6170 8.8936 8.8936 9.1266 9.1266 11.1790 11.1790 11.3908 11.3908 12.1627 12.1627 12.3217 12.3217 15.0399 15.0399 15.1485 15.1485 k = 0.5000-0.0000 0.2665 ( 2340 PWs) bands (ev): -7.7743 -7.7743 -7.7725 -7.7725 -7.4891 -7.4891 -7.3850 -7.3850 2.9627 2.9627 3.0161 3.0161 3.6636 3.6636 3.7087 3.7087 5.5513 5.5513 5.9740 5.9740 6.2332 6.2332 6.3424 6.3424 7.0241 7.0241 7.0489 7.0489 7.3302 7.3302 7.4831 7.4831 8.5166 8.5166 8.6174 8.6174 8.9562 8.9562 9.1817 9.1817 11.1925 11.1925 11.4048 11.4048 12.1697 12.1697 12.3264 12.3264 15.0033 15.0033 15.1145 15.1145 k = 0.5000-0.0000 0.2566 ( 2336 PWs) bands (ev): -7.7754 -7.7754 -7.7737 -7.7737 -7.4881 -7.4881 -7.3857 -7.3857 2.9853 2.9853 3.0358 3.0358 3.6627 3.6627 3.7004 3.7004 5.5535 5.5535 5.9554 5.9554 6.1988 6.1988 6.3067 6.3067 7.0511 7.0511 7.0861 7.0861 7.2703 7.2703 7.4269 7.4269 8.5191 8.5191 8.6183 8.6183 9.0205 9.0205 9.2386 9.2386 11.2070 11.2070 11.4198 11.4198 12.1782 12.1782 12.3322 12.3322 14.9626 14.9626 15.0767 15.0767 k = 0.5000-0.0000 0.2468 ( 2334 PWs) bands (ev): -7.7765 -7.7765 -7.7750 -7.7750 -7.4870 -7.4870 -7.3865 -7.3865 3.0103 3.0103 3.0572 3.0572 3.6623 3.6623 3.6917 3.6917 5.5559 5.5559 5.9347 5.9347 6.1632 6.1632 6.2721 6.2721 7.0720 7.0720 7.0996 7.0996 7.2325 7.2325 7.3756 7.3756 8.5218 8.5218 8.6196 8.6196 9.0858 9.0858 9.2967 9.2967 11.2222 11.2222 11.4356 11.4356 12.1884 12.1884 12.3393 12.3393 14.9180 14.9180 15.0351 15.0351 k = 0.5000-0.0000 0.2369 ( 2330 PWs) bands (ev): -7.7777 -7.7777 -7.7764 -7.7764 -7.4857 -7.4857 -7.3873 -7.3873 3.0375 3.0375 3.0801 3.0801 3.6627 3.6627 3.6828 3.6828 5.5582 5.5582 5.9120 5.9120 6.1268 6.1268 6.2385 6.2385 7.0655 7.0655 7.0799 7.0799 7.2414 7.2414 7.3365 7.3365 8.5247 8.5247 8.6212 8.6212 9.1515 9.1515 9.3556 9.3556 11.2379 11.2379 11.4519 11.4519 12.2003 12.2003 12.3479 12.3479 14.8698 14.8698 14.9898 14.9898 k = 0.5000-0.0000 0.2270 ( 2332 PWs) bands (ev): -7.7791 -7.7791 -7.7778 -7.7778 -7.4843 -7.4843 -7.3883 -7.3883 3.0666 3.0666 3.1042 3.1042 3.6641 3.6641 3.6741 3.6741 5.5603 5.5603 5.8872 5.8872 6.0896 6.0896 6.2059 6.2059 7.0050 7.0050 7.0661 7.0661 7.2764 7.2764 7.3187 7.3187 8.5277 8.5277 8.6230 8.6230 9.2173 9.2173 9.4147 9.4147 11.2537 11.2537 11.4684 11.4684 12.2143 12.2143 12.3583 12.3583 14.8181 14.8181 14.9413 14.9413 k = 0.5000-0.0000 0.2172 ( 2332 PWs) bands (ev): -7.7805 -7.7805 -7.7794 -7.7794 -7.4828 -7.4828 -7.3893 -7.3893 3.0974 3.0974 3.1290 3.1290 3.6658 3.6658 3.6670 3.6670 5.5621 5.5621 5.8602 5.8602 6.0518 6.0518 6.1741 6.1741 6.9377 6.9377 7.0293 7.0293 7.3182 7.3182 7.3239 7.3239 8.5308 8.5308 8.6249 8.6249 9.2829 9.2829 9.4737 9.4737 11.2693 11.2693 11.4847 11.4847 12.2304 12.2304 12.3707 12.3707 14.7634 14.7634 14.8896 14.8896 k = 0.5000-0.0000 0.2073 ( 2332 PWs) bands (ev): -7.7819 -7.7819 -7.7810 -7.7810 -7.4812 -7.4812 -7.3904 -7.3904 3.1296 3.1296 3.1542 3.1542 3.6584 3.6584 3.6719 3.6719 5.5633 5.5633 5.8309 5.8309 6.0135 6.0135 6.1432 6.1432 6.8692 6.8692 6.9773 6.9773 7.3445 7.3445 7.3618 7.3618 8.5339 8.5339 8.6268 8.6268 9.3479 9.3479 9.5324 9.5324 11.2846 11.2846 11.5004 11.5004 12.2489 12.2489 12.3853 12.3853 14.7058 14.7058 14.8351 14.8351 k = 0.5000-0.0000 0.1974 ( 2332 PWs) bands (ev): -7.7834 -7.7834 -7.7827 -7.7827 -7.4795 -7.4795 -7.3916 -7.3916 3.1628 3.1628 3.1793 3.1793 3.6524 3.6524 3.6792 3.6792 5.5636 5.5636 5.7991 5.7991 5.9750 5.9750 6.1131 6.1131 6.8015 6.8015 6.9179 6.9179 7.3733 7.3733 7.4055 7.4055 8.5370 8.5370 8.6286 8.6286 9.4121 9.4121 9.5905 9.5905 11.2992 11.2992 11.5152 11.5152 12.2700 12.2700 12.4024 12.4024 14.6457 14.6457 14.7779 14.7779 k = 0.5000-0.0000 0.1876 ( 2330 PWs) bands (ev): -7.7850 -7.7850 -7.7844 -7.7844 -7.4777 -7.4777 -7.3929 -7.3929 3.1962 3.1962 3.2036 3.2036 3.6484 3.6484 3.6896 3.6896 5.5625 5.5625 5.7646 5.7646 5.9367 5.9367 6.0839 6.0839 6.7356 6.7356 6.8553 6.8553 7.4061 7.4061 7.4488 7.4488 8.5401 8.5401 8.6303 8.6303 9.4754 9.4754 9.6477 9.6477 11.3130 11.3130 11.5288 11.5288 12.2936 12.2936 12.4222 12.4222 14.5833 14.5833 14.7183 14.7183 k = 0.5000-0.0000 0.1777 ( 2334 PWs) bands (ev): -7.7866 -7.7866 -7.7861 -7.7861 -7.4757 -7.4757 -7.3942 -7.3942 3.2265 3.2265 3.2291 3.2291 3.6474 3.6474 3.7036 3.7036 5.5592 5.5592 5.7269 5.7269 5.8990 5.8990 6.0557 6.0557 6.6722 6.6722 6.7920 6.7920 7.4409 7.4409 7.4912 7.4912 8.5431 8.5431 8.6317 8.6317 9.5374 9.5374 9.7038 9.7038 11.3258 11.3258 11.5409 11.5409 12.3200 12.3200 12.4449 12.4449 14.5189 14.5189 14.6564 14.6564 k = 0.5000-0.0000 0.1678 ( 2330 PWs) bands (ev): -7.7882 -7.7882 -7.7878 -7.7878 -7.4737 -7.4737 -7.3956 -7.3956 3.2474 3.2474 3.2605 3.2605 3.6504 3.6504 3.7219 3.7219 5.5528 5.5528 5.6858 5.6858 5.8629 5.8629 6.0286 6.0286 6.6121 6.6121 6.7294 6.7294 7.4766 7.4766 7.5325 7.5325 8.5461 8.5461 8.6328 8.6328 9.5981 9.5981 9.7586 9.7586 11.3375 11.3375 11.5513 11.5513 12.3491 12.3491 12.4705 12.4705 14.4528 14.4528 14.5927 14.5927 k = 0.5000-0.0000 0.1579 ( 2330 PWs) bands (ev): -7.7898 -7.7898 -7.7895 -7.7895 -7.4715 -7.4715 -7.3971 -7.3971 3.2659 3.2659 3.2890 3.2890 3.6588 3.6588 3.7450 3.7450 5.5419 5.5419 5.6410 5.6410 5.8296 5.8296 6.0028 6.0028 6.5556 6.5556 6.6684 6.6684 7.5124 7.5124 7.5723 7.5723 8.5489 8.5489 8.6336 8.6336 9.6573 9.6573 9.8119 9.8119 11.3480 11.3480 11.5596 11.5596 12.3810 12.3810 12.4993 12.4993 14.3852 14.3852 14.5271 14.5271 k = 0.5000-0.0000 0.1481 ( 2326 PWs) bands (ev): -7.7914 -7.7914 -7.7912 -7.7912 -7.4693 -7.4693 -7.3987 -7.3987 3.2817 3.2817 3.3134 3.3134 3.6737 3.6737 3.7731 3.7731 5.5246 5.5246 5.5922 5.5922 5.8006 5.8006 5.9785 5.9785 6.5030 6.5030 6.6097 6.6097 7.5480 7.5480 7.6106 7.6106 8.5517 8.5517 8.6341 8.6341 9.7147 9.7147 9.8633 9.8633 11.3575 11.3575 11.5660 11.5660 12.4157 12.4157 12.5312 12.5312 14.3164 14.3164 14.4601 14.4601 k = 0.5000-0.0000 0.1382 ( 2322 PWs) bands (ev): -7.7930 -7.7930 -7.7929 -7.7929 -7.4670 -7.4670 -7.4003 -7.4003 3.2946 3.2946 3.3327 3.3327 3.6963 3.6963 3.8063 3.8063 5.4997 5.4997 5.5393 5.5393 5.7774 5.7774 5.9558 5.9558 6.4546 6.4546 6.5539 6.5539 7.5829 7.5829 7.6471 7.6471 8.5544 8.5544 8.6342 8.6342 9.7703 9.7703 9.9127 9.9127 11.3659 11.3659 11.5701 11.5701 12.4529 12.4529 12.5662 12.5662 14.2468 14.2468 14.3918 14.3918 k = 0.5000-0.0000 0.1283 ( 2318 PWs) bands (ev): -7.7946 -7.7946 -7.7945 -7.7945 -7.4646 -7.4646 -7.4020 -7.4020 3.3048 3.3048 3.3466 3.3466 3.7269 3.7269 3.8444 3.8444 5.4662 5.4662 5.4825 5.4825 5.7605 5.7605 5.9348 5.9348 6.4104 6.4104 6.5012 6.5012 7.6170 7.6170 7.6817 7.6817 8.5570 8.5570 8.6338 8.6338 9.8238 9.8238 9.9599 9.9599 11.3735 11.3735 11.5722 11.5722 12.4927 12.4927 12.6043 12.6043 14.1765 14.1765 14.3225 14.3225 k = 0.5000-0.0000 0.1185 ( 2310 PWs) bands (ev): -7.7961 -7.7961 -7.7961 -7.7961 -7.4621 -7.4621 -7.4038 -7.4038 3.3126 3.3126 3.3555 3.3555 3.7650 3.7650 3.8873 3.8873 5.4219 5.4219 5.4246 5.4246 5.7495 5.7495 5.9154 5.9154 6.3703 6.3703 6.4522 6.4522 7.6499 7.6499 7.7142 7.7142 8.5595 8.5595 8.6330 8.6330 9.8752 9.8752 10.0045 10.0045 11.3802 11.3802 11.5721 11.5721 12.5349 12.5349 12.6452 12.6452 14.1058 14.1058 14.2524 14.2524 k = 0.5000-0.0000 0.1086 ( 2310 PWs) bands (ev): -7.7976 -7.7976 -7.7976 -7.7976 -7.4596 -7.4596 -7.4057 -7.4057 3.3184 3.3184 3.3603 3.3603 3.8098 3.8098 3.9344 3.9344 5.3579 5.3579 5.3760 5.3760 5.7434 5.7434 5.8978 5.8978 6.3342 6.3342 6.4068 6.4068 7.6815 7.6815 7.7444 7.7444 8.5621 8.5621 8.6318 8.6318 9.9240 9.9240 10.0463 10.0463 11.3864 11.3864 11.5701 11.5701 12.5794 12.5794 12.6888 12.6888 14.0350 14.0350 14.1816 14.1816 k = 0.5000-0.0000 0.0987 ( 2314 PWs) bands (ev): -7.7990 -7.7990 -7.7989 -7.7989 -7.4571 -7.4571 -7.4076 -7.4076 3.3224 3.3224 3.3619 3.3619 3.8601 3.8601 3.9853 3.9853 5.2909 5.2909 5.3218 5.3218 5.7409 5.7409 5.8819 5.8819 6.3019 6.3019 6.3654 6.3654 7.7115 7.7115 7.7722 7.7722 8.5646 8.5646 8.6301 8.6301 9.9704 9.9704 10.0849 10.0849 11.3922 11.3922 11.5662 11.5662 12.6259 12.6259 12.7349 12.7349 13.9644 13.9644 14.1106 14.1106 k = 0.5000-0.0000 0.0888 ( 2316 PWs) bands (ev): -7.8003 -7.8003 -7.8002 -7.8002 -7.4545 -7.4545 -7.4097 -7.4097 3.3252 3.3252 3.3614 3.3614 3.9151 3.9151 4.0395 4.0395 5.2213 5.2213 5.2631 5.2631 5.7411 5.7411 5.8675 5.8675 6.2733 6.2733 6.3279 6.3279 7.7398 7.7398 7.7974 7.7974 8.5671 8.5671 8.6280 8.6280 10.0139 10.0139 10.1202 10.1202 11.3978 11.3978 11.5605 11.5605 12.6743 12.6743 12.7830 12.7830 13.8943 13.8943 14.0394 14.0394 k = 0.5000-0.0000 0.0790 ( 2304 PWs) bands (ev): -7.8015 -7.8015 -7.8014 -7.8014 -7.4518 -7.4518 -7.4117 -7.4117 3.3271 3.3271 3.3594 3.3594 3.9738 3.9738 4.0968 4.0968 5.1498 5.1498 5.2009 5.2009 5.7431 5.7431 5.8545 5.8545 6.2482 6.2482 6.2943 6.2943 7.7662 7.7662 7.8199 7.8199 8.5697 8.5697 8.6255 8.6255 10.0545 10.0545 10.1519 10.1519 11.4035 11.4035 11.5534 11.5534 12.7244 12.7244 12.8330 12.8330 13.8252 13.8252 13.9684 13.9684 k = 0.5000-0.0000 0.0691 ( 2310 PWs) bands (ev): -7.8026 -7.8026 -7.8025 -7.8025 -7.4492 -7.4492 -7.4139 -7.4139 3.3283 3.3283 3.3565 3.3565 4.0357 4.0357 4.1565 4.1565 5.0767 5.0767 5.1360 5.1360 5.7464 5.7464 5.8429 5.8429 6.2264 6.2264 6.2647 6.2647 7.7905 7.7905 7.8395 7.8395 8.5724 8.5724 8.6226 8.6226 10.0918 10.0918 10.1795 10.1795 11.4094 11.4094 11.5450 11.5450 12.7758 12.7758 12.8842 12.8842 13.7575 13.7575 13.8979 13.8979 k = 0.5000-0.0000 0.0592 ( 2310 PWs) bands (ev): -7.8036 -7.8036 -7.8035 -7.8035 -7.4465 -7.4465 -7.4161 -7.4161 3.3291 3.3291 3.3532 3.3532 4.1002 4.1002 4.2183 4.2183 5.0026 5.0026 5.0690 5.0690 5.7507 5.7507 5.8324 5.8324 6.2078 6.2078 6.2390 6.2390 7.8126 7.8126 7.8561 7.8561 8.5753 8.5753 8.6194 8.6194 10.1258 10.1258 10.2030 10.2030 11.4158 11.4158 11.5355 11.5355 12.8283 12.8283 12.9359 12.9359 13.6919 13.6919 13.8284 13.8284 k = 0.5000-0.0000 0.0494 ( 2312 PWs) bands (ev): -7.8044 -7.8044 -7.8043 -7.8043 -7.4438 -7.4438 -7.4184 -7.4184 3.3298 3.3298 3.3497 3.3497 4.1668 4.1668 4.2817 4.2817 4.9281 4.9281 5.0007 5.0007 5.7556 5.7556 5.8229 5.8229 6.1924 6.1924 6.2172 6.2172 7.8323 7.8323 7.8697 7.8697 8.5783 8.5783 8.6159 8.6159 10.1562 10.1562 10.2221 10.2221 11.4228 11.4228 11.5251 11.5251 12.8815 12.8815 12.9871 12.9871 13.6296 13.6296 13.7602 13.7602 k = 0.5000-0.0000 0.0395 ( 2316 PWs) bands (ev): -7.8051 -7.8051 -7.8050 -7.8050 -7.4411 -7.4411 -7.4207 -7.4207 3.3305 3.3305 3.3462 3.3462 4.2351 4.2351 4.3459 4.3459 4.8539 4.8539 4.9315 4.9315 5.7610 5.7610 5.8143 5.8143 6.1801 6.1801 6.1990 6.1990 7.8494 7.8494 7.8801 7.8801 8.5815 8.5815 8.6122 8.6122 10.1828 10.1828 10.2366 10.2366 11.4305 11.4305 11.5141 11.5141 12.9347 12.9347 13.0357 13.0357 13.5723 13.5723 13.6941 13.6941 k = 0.5000-0.0000 0.0296 ( 2320 PWs) bands (ev): -7.8056 -7.8056 -7.8056 -7.8056 -7.4385 -7.4385 -7.4231 -7.4231 3.3313 3.3313 3.3430 3.3430 4.3043 4.3043 4.4097 4.4097 4.7814 4.7814 4.8622 4.8622 5.7667 5.7667 5.8063 5.8063 6.1709 6.1709 6.1846 6.1846 7.8638 7.8638 7.8873 7.8873 8.5849 8.5849 8.6083 8.6083 10.2053 10.2053 10.2464 10.2464 11.4390 11.4390 11.5028 11.5028 12.9867 12.9867 13.0786 13.0786 13.5235 13.5235 13.6313 13.6313 k = 0.5000-0.0000 0.0197 ( 2320 PWs) bands (ev): -7.8060 -7.8060 -7.8060 -7.8060 -7.4358 -7.4358 -7.4256 -7.4256 3.3323 3.3323 3.3401 3.3401 4.3737 4.3737 4.4695 4.4695 4.7143 4.7143 4.7939 4.7939 5.7727 5.7727 5.7989 5.7989 6.1648 6.1648 6.1737 6.1737 7.8754 7.8754 7.8913 7.8913 8.5885 8.5885 8.6043 8.6043 10.2236 10.2236 10.2514 10.2514 11.4482 11.4482 11.4913 11.4913 13.0359 13.0359 13.1099 13.1099 13.4888 13.4888 13.5735 13.5735 k = 0.5000-0.0000 0.0099 ( 2324 PWs) bands (ev): -7.8062 -7.8062 -7.8062 -7.8062 -7.4332 -7.4332 -7.4281 -7.4281 3.3337 3.3337 3.3376 3.3376 4.4407 4.4407 4.5108 4.5108 4.6670 4.6670 4.7290 4.7290 5.7789 5.7789 5.7919 5.7919 6.1620 6.1620 6.1664 6.1664 7.8840 7.8840 7.8921 7.8921 8.5923 8.5923 8.6002 8.6002 10.2375 10.2375 10.2515 10.2515 11.4582 11.4582 11.4799 11.4799 13.0790 13.0790 13.1218 13.1218 13.4759 13.4759 13.5242 13.5242 k = 0.5000-0.0000-0.0000 ( 2320 PWs) bands (ev): -7.8063 -7.8063 -7.8063 -7.8063 -7.4306 -7.4306 -7.4306 -7.4306 3.3354 3.3354 3.3354 3.3354 4.4969 4.4969 4.4969 4.4969 4.6763 4.6763 4.6763 4.6763 5.7853 5.7853 5.7853 5.7853 6.1625 6.1625 6.1625 6.1625 7.8896 7.8896 7.8896 7.8896 8.5962 8.5962 8.5962 8.5962 10.2469 10.2469 10.2469 10.2469 11.4688 11.4688 11.4688 11.4688 13.1102 13.1102 13.1102 13.1102 13.4891 13.4891 13.4891 13.4891 k = 0.5000 0.3497-0.0000 ( 2332 PWs) bands (ev): -7.9386 -7.9386 -7.9376 -7.9376 -7.3485 -7.3485 -7.2024 -7.2024 2.9714 2.9714 3.1715 3.1715 3.8659 3.8659 3.9879 3.9879 5.3937 5.3937 5.6703 5.6703 5.8786 5.8786 5.9349 5.9349 6.8245 6.8245 6.8847 6.8847 7.8645 7.8645 7.9546 7.9546 8.5529 8.5529 8.9144 8.9144 9.1740 9.1740 9.1941 9.1941 10.8148 10.8148 11.0130 11.0130 12.0901 12.0901 12.2501 12.2501 15.1806 15.1806 15.4722 15.4722 k = 0.5000 0.3497 0.0099 ( 2332 PWs) bands (ev): -7.9382 -7.9382 -7.9373 -7.9373 -7.3488 -7.3488 -7.2027 -7.2027 2.9722 2.9722 3.1723 3.1723 3.8655 3.8655 3.9871 3.9871 5.3906 5.3906 5.6603 5.6603 5.8802 5.8802 5.9430 5.9430 6.8235 6.8235 6.8845 6.8845 7.8666 7.8666 7.9560 7.9560 8.5532 8.5532 8.9143 8.9143 9.1752 9.1752 9.1951 9.1951 10.8153 10.8153 11.0139 11.0139 12.0905 12.0905 12.2498 12.2498 15.1790 15.1790 15.4704 15.4704 k = 0.5000 0.3497 0.0197 ( 2336 PWs) bands (ev): -7.9371 -7.9371 -7.9364 -7.9364 -7.3496 -7.3496 -7.2038 -7.2038 2.9748 2.9748 3.1746 3.1746 3.8644 3.8644 3.9846 3.9846 5.3815 5.3815 5.6334 5.6334 5.8849 5.8849 5.9643 5.9643 6.8207 6.8207 6.8841 6.8841 7.8727 7.8727 7.9600 7.9600 8.5542 8.5542 8.9139 8.9139 9.1786 9.1786 9.1983 9.1983 10.8167 10.8167 11.0167 11.0167 12.0916 12.0916 12.2490 12.2490 15.1743 15.1743 15.4649 15.4649 k = 0.5000 0.3497 0.0296 ( 2336 PWs) bands (ev): -7.9352 -7.9352 -7.9349 -7.9349 -7.3511 -7.3511 -7.2056 -7.2056 2.9791 2.9791 3.1786 3.1786 3.8626 3.8626 3.9805 3.9805 5.3670 5.3670 5.5956 5.5956 5.8919 5.8919 5.9925 5.9925 6.8166 6.8166 6.8836 6.8836 7.8827 7.8827 7.9666 7.9666 8.5558 8.5558 8.9133 8.9133 9.1844 9.1844 9.2036 9.2036 10.8190 10.8190 11.0213 11.0213 12.0935 12.0935 12.2477 12.2477 15.1665 15.1665 15.4559 15.4559 k = 0.5000 0.3497 0.0395 ( 2336 PWs) bands (ev): -7.9328 -7.9328 -7.9326 -7.9326 -7.3531 -7.3531 -7.2081 -7.2081 2.9851 2.9851 3.1841 3.1841 3.8601 3.8601 3.9749 3.9749 5.3478 5.3478 5.5513 5.5513 5.9003 5.9003 6.0229 6.0229 6.8117 6.8117 6.8833 6.8833 7.8961 7.8961 7.9756 7.9756 8.5580 8.5580 8.9125 8.9125 9.1924 9.1924 9.2110 9.2110 10.8220 10.8220 11.0275 11.0275 12.0963 12.0963 12.2462 12.2462 15.1557 15.1557 15.4433 15.4433 k = 0.5000 0.3497 0.0494 ( 2336 PWs) bands (ev): -7.9301 -7.9301 -7.9292 -7.9292 -7.3557 -7.3557 -7.2112 -7.2112 2.9927 2.9927 3.1911 3.1911 3.8569 3.8569 3.9676 3.9676 5.3248 5.3248 5.5031 5.5031 5.9093 5.9093 6.0523 6.0523 6.8071 6.8071 6.8836 6.8836 7.9124 7.9124 7.9869 7.9869 8.5606 8.5606 8.9116 8.9116 9.2028 9.2028 9.2205 9.2205 10.8255 10.8255 11.0351 11.0351 12.1002 12.1002 12.2445 12.2445 15.1418 15.1418 15.4271 15.4271 k = 0.5000 0.3497 0.0592 ( 2336 PWs) bands (ev): -7.9269 -7.9269 -7.9251 -7.9251 -7.3588 -7.3588 -7.2151 -7.2151 3.0021 3.0021 3.1996 3.1996 3.8530 3.8530 3.9589 3.9589 5.2989 5.2989 5.4525 5.4525 5.9177 5.9177 6.0788 6.0788 6.8038 6.8038 6.8848 6.8848 7.9311 7.9311 8.0002 8.0002 8.5637 8.5637 8.9104 8.9104 9.2156 9.2156 9.2323 9.2323 10.8294 10.8294 11.0438 11.0438 12.1054 12.1054 12.2430 12.2430 15.1249 15.1249 15.4074 15.4074 k = 0.5000 0.3497 0.0691 ( 2332 PWs) bands (ev): -7.9230 -7.9230 -7.9202 -7.9202 -7.3625 -7.3625 -7.2197 -7.2197 3.0131 3.0131 3.2096 3.2096 3.8485 3.8485 3.9488 3.9488 5.2707 5.2707 5.4005 5.4005 5.9248 5.9248 6.1008 6.1008 6.8028 6.8028 6.8872 6.8872 7.9518 7.9518 8.0152 8.0152 8.5671 8.5671 8.9092 8.9092 9.2307 9.2307 9.2462 9.2462 10.8332 10.8332 11.0534 11.0534 12.1122 12.1122 12.2419 12.2419 15.1049 15.1049 15.3843 15.3843 k = 0.5000 0.3497 0.0790 ( 2332 PWs) bands (ev): -7.9186 -7.9186 -7.9147 -7.9147 -7.3667 -7.3667 -7.2249 -7.2249 3.0257 3.0257 3.2210 3.2210 3.8435 3.8435 3.9374 3.9374 5.2407 5.2407 5.3475 5.3475 5.9299 5.9299 6.1174 6.1174 6.8051 6.8051 6.8914 6.8914 7.9737 7.9737 8.0318 8.0318 8.5707 8.5707 8.9078 8.9078 9.2482 9.2482 9.2623 9.2623 10.8368 10.8368 11.0634 11.0634 12.1208 12.1208 12.2418 12.2418 15.0821 15.0821 15.3577 15.3577 k = 0.5000 0.3497 0.0888 ( 2336 PWs) bands (ev): -7.9136 -7.9136 -7.9084 -7.9084 -7.3715 -7.3715 -7.2308 -7.2308 3.0399 3.0399 3.2337 3.2337 3.8380 3.8380 3.9247 3.9247 5.2095 5.2095 5.2940 5.2940 5.9326 5.9326 6.1278 6.1278 6.8113 6.8113 6.8974 6.8974 7.9965 7.9965 8.0497 8.0497 8.5746 8.5746 8.9064 8.9064 9.2681 9.2681 9.2806 9.2806 10.8398 10.8398 11.0734 11.0734 12.1315 12.1315 12.2428 12.2428 15.0564 15.0564 15.3278 15.3278 k = 0.5000 0.3497 0.0987 ( 2340 PWs) bands (ev): -7.9081 -7.9081 -7.9015 -7.9015 -7.3768 -7.3768 -7.2374 -7.2374 3.0557 3.0557 3.2477 3.2477 3.8321 3.8321 3.9109 3.9109 5.1773 5.1773 5.2402 5.2402 5.9325 5.9325 6.1319 6.1319 6.8219 6.8219 6.9056 6.9056 8.0198 8.0198 8.0686 8.0686 8.5785 8.5785 8.9048 8.9048 9.2905 9.2905 9.3010 9.3010 10.8419 10.8419 11.0828 11.0828 12.1446 12.1446 12.2457 12.2457 15.0279 15.0279 15.2947 15.2947 k = 0.5000 0.3497 0.1086 ( 2344 PWs) bands (ev): -7.9021 -7.9021 -7.8939 -7.8939 -7.3826 -7.3826 -7.2446 -7.2446 3.0730 3.0730 3.2629 3.2629 3.8259 3.8259 3.8961 3.8961 5.1443 5.1443 5.1864 5.1864 5.9296 5.9296 6.1298 6.1298 6.8368 6.8368 6.9159 6.9159 8.0430 8.0430 8.0882 8.0882 8.5824 8.5824 8.9031 8.9031 9.3153 9.3153 9.3235 9.3235 10.8428 10.8428 11.0913 11.0913 12.1604 12.1604 12.2507 12.2507 14.9966 14.9966 15.2584 15.2584 k = 0.5000 0.3497 0.1185 ( 2344 PWs) bands (ev): -7.8955 -7.8955 -7.8856 -7.8856 -7.3889 -7.3889 -7.2524 -7.2524 3.0918 3.0918 3.2792 3.2792 3.8196 3.8196 3.8804 3.8804 5.1109 5.1109 5.1326 5.1326 5.9239 5.9239 6.1222 6.1222 6.8556 6.8556 6.9283 6.9283 8.0659 8.0659 8.1085 8.1085 8.5864 8.5864 8.9012 8.9012 9.3426 9.3426 9.3479 9.3479 10.8421 10.8421 11.0981 11.0981 12.1791 12.1791 12.2585 12.2585 14.9628 14.9628 15.2190 15.2190 k = 0.5000 0.3497 0.1283 ( 2344 PWs) bands (ev): -7.8884 -7.8884 -7.8767 -7.8767 -7.3957 -7.3957 -7.2609 -7.2609 3.1121 3.1121 3.2965 3.2965 3.8131 3.8131 3.8640 3.8640 5.0770 5.0770 5.0791 5.0791 5.9157 5.9157 6.1097 6.1097 6.8778 6.8778 6.9427 6.9427 8.0883 8.0883 8.1291 8.1291 8.5903 8.5903 8.8991 8.8991 9.3723 9.3723 9.3743 9.3743 10.8396 10.8396 11.1029 11.1029 12.2009 12.2009 12.2696 12.2696 14.9264 14.9264 15.1767 15.1767 k = 0.5000 0.3497 0.1382 ( 2344 PWs) bands (ev): -7.8808 -7.8808 -7.8672 -7.8672 -7.4030 -7.4030 -7.2699 -7.2699 3.1337 3.1337 3.3145 3.3145 3.8069 3.8069 3.8471 3.8471 5.0259 5.0259 5.0428 5.0428 5.9051 5.9051 6.0933 6.0933 6.9025 6.9025 6.9589 6.9589 8.1099 8.1099 8.1498 8.1498 8.5943 8.5943 8.8967 8.8967 9.4026 9.4026 9.4043 9.4043 10.8352 10.8352 11.1051 11.1051 12.2260 12.2260 12.2843 12.2843 14.8875 14.8875 15.1315 15.1315 k = 0.5000 0.3497 0.1481 ( 2336 PWs) bands (ev): -7.8728 -7.8728 -7.8571 -7.8571 -7.4107 -7.4107 -7.2795 -7.2795 3.1567 3.1567 3.3332 3.3332 3.8009 3.8009 3.8298 3.8298 4.9730 4.9730 5.0083 5.0083 5.8927 5.8927 6.0738 6.0738 6.9290 6.9290 6.9766 6.9766 8.1307 8.1307 8.1705 8.1705 8.5982 8.5982 8.8941 8.8941 9.4325 9.4325 9.4385 9.4385 10.8286 10.8286 11.1043 11.1043 12.2545 12.2545 12.3030 12.3030 14.8464 14.8464 15.0837 15.0837 k = 0.5000 0.3497 0.1579 ( 2328 PWs) bands (ev): -7.8643 -7.8643 -7.8465 -7.8465 -7.4189 -7.4189 -7.2897 -7.2897 3.1810 3.1810 3.3523 3.3523 3.7956 3.7956 3.8123 3.8123 4.9206 4.9206 4.9734 4.9734 5.8787 5.8787 6.0521 6.0521 6.9567 6.9567 6.9955 6.9955 8.1505 8.1505 8.1910 8.1910 8.6021 8.6021 8.8910 8.8910 9.4639 9.4639 9.4749 9.4749 10.8197 10.8197 11.1002 11.1002 12.2864 12.2864 12.3261 12.3261 14.8030 14.8030 15.0333 15.0333 k = 0.5000 0.3497 0.1678 ( 2332 PWs) bands (ev): -7.8554 -7.8554 -7.8353 -7.8353 -7.4275 -7.4275 -7.3004 -7.3004 3.2064 3.2064 3.3715 3.3715 3.7912 3.7912 3.7948 3.7948 4.8687 4.8687 4.9382 4.9382 5.8636 5.8636 6.0287 6.0287 6.9850 6.9850 7.0154 7.0154 8.1694 8.1694 8.2111 8.2111 8.6061 8.6061 8.8876 8.8876 9.4968 9.4968 9.5132 9.5132 10.8086 10.8086 11.0926 11.0926 12.3217 12.3217 12.3536 12.3536 14.7575 14.7575 14.9804 14.9804 k = 0.5000 0.3497 0.1777 ( 2332 PWs) bands (ev): -7.8460 -7.8460 -7.8236 -7.8236 -7.4364 -7.4364 -7.3117 -7.3117 3.2328 3.2328 3.3905 3.3905 3.7775 3.7775 3.7879 3.7879 4.8173 4.8173 4.9027 4.9027 5.8478 5.8478 6.0044 6.0044 7.0133 7.0133 7.0358 7.0358 8.1872 8.1872 8.2305 8.2305 8.6102 8.6102 8.8837 8.8837 9.5310 9.5310 9.5533 9.5533 10.7953 10.7953 11.0814 11.0814 12.3603 12.3603 12.3856 12.3856 14.7101 14.7101 14.9252 14.9252 k = 0.5000 0.3497 0.1876 ( 2332 PWs) bands (ev): -7.8363 -7.8363 -7.8114 -7.8114 -7.4458 -7.4458 -7.3234 -7.3234 3.2602 3.2602 3.4089 3.4089 3.7607 3.7607 3.7863 3.7863 4.7665 4.7665 4.8668 4.8668 5.8316 5.8316 5.9796 5.9796 7.0412 7.0412 7.0567 7.0567 8.2041 8.2041 8.2493 8.2493 8.6145 8.6145 8.8793 8.8793 9.5662 9.5662 9.5950 9.5950 10.7798 10.7798 11.0665 11.0665 12.4019 12.4019 12.4219 12.4219 14.6609 14.6609 14.8679 14.8679 k = 0.5000 0.3497 0.1974 ( 2336 PWs) bands (ev): -7.8262 -7.8262 -7.7988 -7.7988 -7.4555 -7.4555 -7.3356 -7.3356 3.2884 3.2884 3.4264 3.4264 3.7445 3.7445 3.7867 3.7867 4.7163 4.7163 4.8305 4.8305 5.8154 5.8154 5.9547 5.9547 7.0684 7.0684 7.0776 7.0776 8.2200 8.2200 8.2671 8.2671 8.6190 8.6190 8.8743 8.8743 9.6024 9.6024 9.6381 9.6381 10.7623 10.7623 11.0481 11.0481 12.4465 12.4465 12.4624 12.4624 14.6102 14.6102 14.8088 14.8088 k = 0.5000 0.3497 0.2073 ( 2340 PWs) bands (ev): -7.8158 -7.8158 -7.7858 -7.7858 -7.4655 -7.4655 -7.3483 -7.3483 3.3171 3.3171 3.4424 3.4424 3.7293 3.7293 3.7896 3.7896 4.6668 4.6668 4.7938 4.7938 5.7996 5.7996 5.9301 5.9301 7.0946 7.0946 7.0983 7.0983 8.2351 8.2351 8.2839 8.2839 8.6238 8.6238 8.8688 8.8688 9.6394 9.6394 9.6822 9.6822 10.7430 10.7430 11.0265 11.0265 12.4937 12.4937 12.5067 12.5067 14.5581 14.5581 14.7480 14.7480 k = 0.5000 0.3497 0.2172 ( 2340 PWs) bands (ev): -7.8051 -7.8051 -7.7724 -7.7724 -7.4757 -7.4757 -7.3613 -7.3613 3.3461 3.3461 3.4565 3.4565 3.7155 3.7155 3.7953 3.7953 4.6182 4.6182 4.7566 4.7566 5.7843 5.7843 5.9060 5.9060 7.1186 7.1186 7.1196 7.1196 8.2493 8.2493 8.2995 8.2995 8.6289 8.6289 8.8627 8.8627 9.6771 9.6771 9.7272 9.7272 10.7220 10.7220 11.0017 11.0017 12.5432 12.5432 12.5544 12.5544 14.5048 14.5048 14.6857 14.6857 k = 0.5000 0.3497 0.2270 ( 2340 PWs) bands (ev): -7.7940 -7.7940 -7.7587 -7.7587 -7.4863 -7.4863 -7.3748 -7.3748 3.3750 3.3750 3.4686 3.4686 3.7035 3.7035 3.8040 3.8040 4.5704 4.5704 4.7191 4.7191 5.7699 5.7699 5.8827 5.8827 7.1384 7.1384 7.1431 7.1431 8.2628 8.2628 8.3138 8.3138 8.6345 8.6345 8.8560 8.8560 9.7152 9.7152 9.7727 9.7727 10.6997 10.6997 10.9741 10.9741 12.5947 12.5947 12.6050 12.6050 14.4507 14.4507 14.6222 14.6222 k = 0.5000 0.3497 0.2369 ( 2336 PWs) bands (ev): -7.7827 -7.7827 -7.7447 -7.7447 -7.4970 -7.4970 -7.3886 -7.3886 3.4032 3.4032 3.4784 3.4784 3.6939 3.6939 3.8159 3.8159 4.5237 4.5237 4.6813 4.6813 5.7565 5.7565 5.8604 5.8604 7.1574 7.1574 7.1650 7.1650 8.2755 8.2755 8.3267 8.3267 8.6405 8.6405 8.8487 8.8487 9.7536 9.7536 9.8185 9.8185 10.6762 10.6762 10.9440 10.9440 12.6477 12.6477 12.6580 12.6580 14.3962 14.3962 14.5580 14.5580 k = 0.5000 0.3497 0.2468 ( 2336 PWs) bands (ev): -7.7712 -7.7712 -7.7305 -7.7305 -7.5078 -7.5078 -7.4027 -7.4027 3.4298 3.4298 3.4859 3.4859 3.6875 3.6875 3.8306 3.8306 4.4783 4.4783 4.6431 4.6431 5.7444 5.7444 5.8392 5.8392 7.1755 7.1755 7.1852 7.1852 8.2876 8.2876 8.3381 8.3381 8.6470 8.6470 8.8408 8.8408 9.7921 9.7921 9.8640 9.8640 10.6521 10.6521 10.9117 10.9117 12.7018 12.7018 12.7127 12.7127 14.3414 14.3414 14.4932 14.4932 k = 0.5000 0.3497 0.2566 ( 2336 PWs) bands (ev): -7.7595 -7.7595 -7.7163 -7.7163 -7.5187 -7.5187 -7.4172 -7.4172 3.4538 3.4538 3.4914 3.4914 3.6855 3.6855 3.8477 3.8477 4.4345 4.4345 4.6047 4.6047 5.7335 5.7335 5.8192 5.8192 7.1924 7.1924 7.2035 7.2035 8.2989 8.2989 8.3480 8.3480 8.6541 8.6541 8.8324 8.8324 9.8306 9.8306 9.9089 9.9089 10.6276 10.6276 10.8775 10.8775 12.7565 12.7565 12.7686 12.7686 14.2871 14.2871 14.4283 14.4283 k = 0.5000 0.3497 0.2665 ( 2340 PWs) bands (ev): -7.7476 -7.7476 -7.7021 -7.7021 -7.5296 -7.5296 -7.4318 -7.4318 3.4740 3.4740 3.4952 3.4952 3.6889 3.6889 3.8663 3.8663 4.3928 4.3928 4.5663 4.5663 5.7241 5.7241 5.8006 5.8006 7.2082 7.2082 7.2199 7.2199 8.3096 8.3096 8.3563 8.3563 8.6617 8.6617 8.8234 8.8234 9.8687 9.8687 9.9526 9.9526 10.6034 10.6034 10.8418 10.8418 12.8111 12.8111 12.8246 12.8246 14.2338 14.2338 14.3640 14.3640 k = 0.5000 0.3497 0.2764 ( 2344 PWs) bands (ev): -7.7356 -7.7356 -7.6881 -7.6881 -7.5402 -7.5402 -7.4467 -7.4467 3.4892 3.4892 3.4977 3.4977 3.6989 3.6989 3.8854 3.8854 4.3541 4.3541 4.5279 4.5279 5.7163 5.7163 5.7835 5.7835 7.2226 7.2226 7.2343 7.2343 8.3197 8.3197 8.3630 8.3630 8.6699 8.6699 8.8140 8.8140 9.9063 9.9063 9.9943 9.9943 10.5802 10.5802 10.8048 10.8048 12.8650 12.8650 12.8799 12.8799 14.1822 14.1822 14.3007 14.3007 k = 0.5000 0.3497 0.2863 ( 2348 PWs) bands (ev): -7.7235 -7.7235 -7.6746 -7.6746 -7.5502 -7.5502 -7.4617 -7.4617 3.4992 3.4992 3.4993 3.4993 3.7154 3.7154 3.9033 3.9033 4.3195 4.3195 4.4898 4.4898 5.7100 5.7100 5.7678 5.7678 7.2355 7.2355 7.2466 7.2466 8.3290 8.3290 8.3681 8.3681 8.6786 8.6786 8.8041 8.8041 9.9431 9.9431 10.0329 10.0329 10.5591 10.5591 10.7671 10.7671 12.9172 12.9172 12.9333 12.9333 14.1334 14.1334 14.2394 14.2394 k = 0.5000 0.3497 0.2961 ( 2340 PWs) bands (ev): -7.7115 -7.7115 -7.6622 -7.6622 -7.5591 -7.5591 -7.4768 -7.4768 3.5002 3.5002 3.5050 3.5050 3.7378 3.7378 3.9182 3.9182 4.2906 4.2906 4.4522 4.4522 5.7055 5.7055 5.7538 5.7538 7.2468 7.2468 7.2569 7.2569 8.3377 8.3377 8.3717 8.3717 8.6879 8.6879 8.7939 8.7939 9.9787 9.9787 10.0672 10.0672 10.5412 10.5412 10.7289 10.7289 12.9667 12.9667 12.9834 12.9834 14.0888 14.0888 14.1812 14.1812 k = 0.5000 0.3497 0.3060 ( 2344 PWs) bands (ev): -7.6995 -7.6995 -7.6520 -7.6520 -7.5660 -7.5660 -7.4919 -7.4919 3.5009 3.5009 3.5073 3.5073 3.7643 3.7643 3.9276 3.9276 4.2697 4.2697 4.4155 4.4155 5.7026 5.7026 5.7413 5.7413 7.2565 7.2565 7.2651 7.2651 8.3456 8.3456 8.3738 8.3738 8.6976 8.6976 8.7833 8.7833 10.0126 10.0126 10.0953 10.0953 10.5285 10.5285 10.6910 10.6910 13.0119 13.0119 13.0283 13.0283 14.0500 14.0500 14.1273 14.1273 k = 0.5000 0.3497 0.3159 ( 2344 PWs) bands (ev): -7.6877 -7.6877 -7.6455 -7.6455 -7.5690 -7.5690 -7.5069 -7.5069 3.5015 3.5015 3.5077 3.5077 3.7935 3.7935 3.9289 3.9289 4.2590 4.2590 4.3802 4.3802 5.7014 5.7014 5.7305 5.7305 7.2644 7.2644 7.2711 7.2711 8.3527 8.3527 8.3744 8.3744 8.7077 8.7077 8.7726 8.7726 10.0443 10.0443 10.1152 10.1152 10.5228 10.5228 10.6539 10.6539 13.0513 13.0513 13.0658 13.0658 14.0189 14.0189 14.0795 14.0795 k = 0.5000 0.3497 0.3257 ( 2344 PWs) bands (ev): -7.6762 -7.6762 -7.6443 -7.6443 -7.5668 -7.5668 -7.5215 -7.5215 3.5023 3.5023 3.5069 3.5069 3.8237 3.8237 3.9210 3.9210 4.2595 4.2595 4.3469 4.3469 5.7019 5.7019 5.7213 5.7213 7.2705 7.2705 7.2751 7.2751 8.3590 8.3590 8.3737 8.3737 8.7181 8.7181 8.7617 8.7617 10.0727 10.0727 10.1252 10.1252 10.5259 10.5259 10.6187 10.6187 13.0828 13.0828 13.0939 13.0939 13.9979 13.9979 14.0397 14.0397 k = 0.5000 0.3497 0.3356 ( 2344 PWs) bands (ev): -7.6655 -7.6655 -7.6483 -7.6483 -7.5595 -7.5595 -7.5356 -7.5356 3.5032 3.5032 3.5057 3.5057 3.8534 3.8534 3.9043 3.9043 4.2708 4.2708 4.3165 4.3165 5.7042 5.7042 5.7139 5.7139 7.2746 7.2746 7.2770 7.2770 8.3643 8.3643 8.3717 8.3717 8.7288 8.7288 8.7507 8.7507 10.0967 10.0967 10.1248 10.1248 10.5382 10.5382 10.5865 10.5865 13.1043 13.1043 13.1103 13.1103 13.9887 13.9887 14.0102 14.0102 k = 0.5000 0.3497 0.3455 ( 2336 PWs) bands (ev): -7.6558 -7.6558 -7.6558 -7.6558 -7.5485 -7.5485 -7.5485 -7.5485 3.5044 3.5044 3.5044 3.5044 3.8810 3.8810 3.8810 3.8810 4.2905 4.2905 4.2905 4.2905 5.7082 5.7082 5.7082 5.7082 7.2768 7.2768 7.2768 7.2768 8.3685 8.3685 8.3685 8.3685 8.7397 8.7397 8.7397 8.7397 10.1147 10.1147 10.1147 10.1147 10.5590 10.5590 10.5590 10.5590 13.1139 13.1139 13.1139 13.1139 13.9928 13.9928 13.9928 13.9928 Writing output data file PtO2.save init_run : 0.38s CPU 0.72s WALL ( 1 calls) electrons : 457.93s CPU 463.91s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.04s WALL ( 1 calls) potinit : 0.03s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 457.93s CPU 463.89s 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 : 0.10s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.00s CPU 0.04s WALL ( 500 calls) cegterg : 435.50s CPU 440.82s WALL ( 1004 calls) Called by sum_band: Called by *egterg: h_psi : 278.65s CPU 288.78s WALL ( 13451 calls) s_psi : 19.48s CPU 19.64s WALL ( 13451 calls) g_psi : 0.43s CPU 0.50s WALL ( 11947 calls) cdiaghg : 109.75s CPU 105.70s WALL ( 12447 calls) cegterg:over : 22.42s CPU 19.29s WALL ( 11947 calls) cegterg:upda : 4.20s CPU 7.47s WALL ( 11947 calls) cegterg:last : 5.48s CPU 6.92s WALL ( 3504 calls) Called by h_psi: h_psi:vloc : 256.34s CPU 264.31s WALL ( 13451 calls) h_psi:vnl : 22.25s CPU 24.13s WALL ( 13451 calls) add_vuspsi : 8.98s CPU 12.60s WALL ( 13451 calls) General routines calbec : 13.25s CPU 11.49s WALL ( 13451 calls) fft : 0.02s CPU 0.05s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 251.29s CPU 254.47s WALL ( 2222608 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.09s CPU 0.66s WALL ( 1000 calls) Parallel routines fft_scatter : 207.67s CPU 182.02s WALL ( 2222631 calls) PWSCF : 8m 9.24s CPU 8m21.60s WALL This run was terminated on: 16:42:36 16Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=