Program PWSCF v.5.4.0 starts on 28Mar2017 at 23:18:28 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 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: ./SrHI.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 19 13 4 1083 626 98 Max 20 14 5 1094 654 105 Sum 1433 997 293 78475 45865 7329 bravais-lattice index = 14 lattice parameter (alat) = 8.2600 a.u. unit-cell volume = 1089.4689 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 3 number of electrons = 36.00 number of Kohn-Sham states= 44 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 263.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.259992 celldm(2)= 1.000000 celldm(3)= 1.933196 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 1.000000 0.000000 ) a(3) = ( 0.000000 0.000000 1.933196 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.000000 -0.000000 ) b(3) = ( 0.000000 0.000000 0.517278 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sr read from file: /users/gautes/Pseudo/Sr.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 971034ad0a3914f6282d12395b0824f8 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 1221 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 H 1.00 1.00790 H( 1.00) I 7.00 126.90450 I( 1.00) Sr 10.00 87.62000 Sr( 1.00) 4 Sym. Ops., with inversion, found (note: 12 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,1,0] cryst. s( 2) = ( 0 1 0 ) ( 1 0 0 ) ( 0 0 -1 ) cart. s( 2) = ( 0.0000000 1.0000000 -0.0000000 ) ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,1,0] cryst. s( 4) = ( 0 -1 0 ) ( -1 0 0 ) ( 0 0 1 ) cart. s( 4) = ( -0.0000000 -1.0000000 0.0000000 ) ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [1,1,0] -C2 -2 180 deg rotation - cart. axis [1,1,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,1,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,1,0] E Cartesian axes number of k points= 312 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( 0.0000000 0.0138889 -0.0000000), wk = 0.0032051 k( 3) = ( 0.0000000 0.0277778 -0.0000000), wk = 0.0032051 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0032051 k( 5) = ( 0.0000000 0.0555556 -0.0000000), wk = 0.0032051 k( 6) = ( 0.0000000 0.0694444 -0.0000000), wk = 0.0032051 k( 7) = ( 0.0000000 0.0833333 -0.0000000), wk = 0.0032051 k( 8) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0032051 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0032051 k( 10) = ( 0.0000000 0.1250000 -0.0000000), wk = 0.0032051 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0032051 k( 12) = ( 0.0000000 0.1527778 -0.0000000), wk = 0.0032051 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0032051 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0032051 k( 15) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0032051 k( 16) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0032051 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0032051 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0032051 k( 19) = ( 0.0000000 0.2500000 -0.0000000), wk = 0.0032051 k( 20) = ( 0.0000000 0.2638889 -0.0000000), wk = 0.0032051 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0032051 k( 22) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0032051 k( 23) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0032051 k( 24) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0032051 k( 25) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0032051 k( 26) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0032051 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0032051 k( 28) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0032051 k( 29) = ( 0.0000000 0.3888889 -0.0000000), wk = 0.0032051 k( 30) = ( 0.0000000 0.4027778 -0.0000000), wk = 0.0032051 k( 31) = ( 0.0000000 0.4166667 -0.0000000), wk = 0.0032051 k( 32) = ( 0.0000000 0.4305556 -0.0000000), wk = 0.0032051 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0032051 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0032051 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0032051 k( 36) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0032051 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032051 k( 38) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032051 k( 39) = ( 0.0138889 0.5000000 -0.0000000), wk = 0.0032051 k( 40) = ( 0.0277778 0.5000000 -0.0000000), wk = 0.0032051 k( 41) = ( 0.0416667 0.5000000 -0.0000000), wk = 0.0032051 k( 42) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0032051 k( 43) = ( 0.0694444 0.5000000 -0.0000000), wk = 0.0032051 k( 44) = ( 0.0833333 0.5000000 -0.0000000), wk = 0.0032051 k( 45) = ( 0.0972222 0.5000000 -0.0000000), wk = 0.0032051 k( 46) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0032051 k( 47) = ( 0.1250000 0.5000000 -0.0000000), wk = 0.0032051 k( 48) = ( 0.1388889 0.5000000 -0.0000000), wk = 0.0032051 k( 49) = ( 0.1527778 0.5000000 -0.0000000), wk = 0.0032051 k( 50) = ( 0.1666667 0.5000000 -0.0000000), wk = 0.0032051 k( 51) = ( 0.1805556 0.5000000 -0.0000000), wk = 0.0032051 k( 52) = ( 0.1944444 0.5000000 -0.0000000), wk = 0.0032051 k( 53) = ( 0.2083333 0.5000000 -0.0000000), wk = 0.0032051 k( 54) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0032051 k( 55) = ( 0.2361111 0.5000000 -0.0000000), wk = 0.0032051 k( 56) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0032051 k( 57) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0032051 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0032051 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0032051 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0032051 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0032051 k( 62) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0032051 k( 63) = ( 0.3472222 0.5000000 -0.0000000), wk = 0.0032051 k( 64) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0032051 k( 65) = ( 0.3750000 0.5000000 -0.0000000), wk = 0.0032051 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0032051 k( 67) = ( 0.4027778 0.5000000 -0.0000000), wk = 0.0032051 k( 68) = ( 0.4166667 0.5000000 -0.0000000), wk = 0.0032051 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0032051 k( 70) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0032051 k( 71) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0032051 k( 72) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0032051 k( 73) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0032051 k( 74) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032051 k( 75) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032051 k( 76) = ( 0.4901961 0.4901961 -0.0000000), wk = 0.0032051 k( 77) = ( 0.4803922 0.4803922 -0.0000000), wk = 0.0032051 k( 78) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0032051 k( 79) = ( 0.4607843 0.4607843 -0.0000000), wk = 0.0032051 k( 80) = ( 0.4509804 0.4509804 -0.0000000), wk = 0.0032051 k( 81) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0032051 k( 82) = ( 0.4313726 0.4313725 -0.0000000), wk = 0.0032051 k( 83) = ( 0.4215686 0.4215686 -0.0000000), wk = 0.0032051 k( 84) = ( 0.4117647 0.4117647 -0.0000000), wk = 0.0032051 k( 85) = ( 0.4019608 0.4019608 -0.0000000), wk = 0.0032051 k( 86) = ( 0.3921569 0.3921569 -0.0000000), wk = 0.0032051 k( 87) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0032051 k( 88) = ( 0.3725490 0.3725490 -0.0000000), wk = 0.0032051 k( 89) = ( 0.3627451 0.3627451 -0.0000000), wk = 0.0032051 k( 90) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0032051 k( 91) = ( 0.3431373 0.3431372 -0.0000000), wk = 0.0032051 k( 92) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032051 k( 93) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0032051 k( 94) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0032051 k( 95) = ( 0.3039216 0.3039216 -0.0000000), wk = 0.0032051 k( 96) = ( 0.2941177 0.2941176 -0.0000000), wk = 0.0032051 k( 97) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0032051 k( 98) = ( 0.2745098 0.2745098 -0.0000000), wk = 0.0032051 k( 99) = ( 0.2647059 0.2647059 -0.0000000), wk = 0.0032051 k( 100) = ( 0.2549020 0.2549020 -0.0000000), wk = 0.0032051 k( 101) = ( 0.2450980 0.2450980 -0.0000000), wk = 0.0032051 k( 102) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0032051 k( 103) = ( 0.2254902 0.2254902 -0.0000000), wk = 0.0032051 k( 104) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0032051 k( 105) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0032051 k( 106) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0032051 k( 107) = ( 0.1862745 0.1862745 -0.0000000), wk = 0.0032051 k( 108) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0032051 k( 109) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0032051 k( 110) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0032051 k( 111) = ( 0.1470588 0.1470588 -0.0000000), wk = 0.0032051 k( 112) = ( 0.1372549 0.1372549 -0.0000000), wk = 0.0032051 k( 113) = ( 0.1274510 0.1274510 -0.0000000), wk = 0.0032051 k( 114) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0032051 k( 115) = ( 0.1078431 0.1078431 -0.0000000), wk = 0.0032051 k( 116) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0032051 k( 117) = ( 0.0882353 0.0882353 -0.0000000), wk = 0.0032051 k( 118) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0032051 k( 119) = ( 0.0686275 0.0686275 -0.0000000), wk = 0.0032051 k( 120) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0032051 k( 121) = ( 0.0490196 0.0490196 -0.0000000), wk = 0.0032051 k( 122) = ( 0.0392157 0.0392157 -0.0000000), wk = 0.0032051 k( 123) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0032051 k( 124) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0032051 k( 125) = ( 0.0098039 0.0098039 -0.0000000), wk = 0.0032051 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 128) = ( 0.0000000 0.0000000 0.0136126), wk = 0.0032051 k( 129) = ( 0.0000000 0.0000000 0.0272252), wk = 0.0032051 k( 130) = ( 0.0000000 0.0000000 0.0408377), wk = 0.0032051 k( 131) = ( 0.0000000 0.0000000 0.0544503), wk = 0.0032051 k( 132) = ( 0.0000000 0.0000000 0.0680629), wk = 0.0032051 k( 133) = ( 0.0000000 0.0000000 0.0816755), wk = 0.0032051 k( 134) = ( 0.0000000 0.0000000 0.0952881), wk = 0.0032051 k( 135) = ( 0.0000000 0.0000000 0.1089007), wk = 0.0032051 k( 136) = ( 0.0000000 0.0000000 0.1225132), wk = 0.0032051 k( 137) = ( 0.0000000 0.0000000 0.1361258), wk = 0.0032051 k( 138) = ( 0.0000000 0.0000000 0.1497384), wk = 0.0032051 k( 139) = ( 0.0000000 0.0000000 0.1633510), wk = 0.0032051 k( 140) = ( 0.0000000 0.0000000 0.1769636), wk = 0.0032051 k( 141) = ( 0.0000000 0.0000000 0.1905761), wk = 0.0032051 k( 142) = ( 0.0000000 0.0000000 0.2041887), wk = 0.0032051 k( 143) = ( 0.0000000 0.0000000 0.2178013), wk = 0.0032051 k( 144) = ( 0.0000000 0.0000000 0.2314139), wk = 0.0032051 k( 145) = ( 0.0000000 0.0000000 0.2450265), wk = 0.0032051 k( 146) = ( 0.0000000 0.0000000 0.2586391), wk = 0.0032051 k( 147) = ( 0.0000000 0.0000000 0.2586391), wk = 0.0032051 k( 148) = ( 0.0000000 0.0138889 0.2586391), wk = 0.0032051 k( 149) = ( 0.0000000 0.0277778 0.2586391), wk = 0.0032051 k( 150) = ( 0.0000000 0.0416667 0.2586391), wk = 0.0032051 k( 151) = ( 0.0000000 0.0555556 0.2586391), wk = 0.0032051 k( 152) = ( 0.0000000 0.0694444 0.2586391), wk = 0.0032051 k( 153) = ( 0.0000000 0.0833333 0.2586391), wk = 0.0032051 k( 154) = ( 0.0000000 0.0972222 0.2586391), wk = 0.0032051 k( 155) = ( 0.0000000 0.1111111 0.2586391), wk = 0.0032051 k( 156) = ( 0.0000000 0.1250000 0.2586391), wk = 0.0032051 k( 157) = ( 0.0000000 0.1388889 0.2586391), wk = 0.0032051 k( 158) = ( 0.0000000 0.1527778 0.2586391), wk = 0.0032051 k( 159) = ( 0.0000000 0.1666667 0.2586391), wk = 0.0032051 k( 160) = ( 0.0000000 0.1805556 0.2586391), wk = 0.0032051 k( 161) = ( 0.0000000 0.1944444 0.2586391), wk = 0.0032051 k( 162) = ( 0.0000000 0.2083333 0.2586391), wk = 0.0032051 k( 163) = ( 0.0000000 0.2222222 0.2586391), wk = 0.0032051 k( 164) = ( 0.0000000 0.2361111 0.2586391), wk = 0.0032051 k( 165) = ( 0.0000000 0.2500000 0.2586391), wk = 0.0032051 k( 166) = ( 0.0000000 0.2638889 0.2586391), wk = 0.0032051 k( 167) = ( 0.0000000 0.2777778 0.2586391), wk = 0.0032051 k( 168) = ( 0.0000000 0.2916667 0.2586391), wk = 0.0032051 k( 169) = ( 0.0000000 0.3055556 0.2586391), wk = 0.0032051 k( 170) = ( 0.0000000 0.3194444 0.2586391), wk = 0.0032051 k( 171) = ( 0.0000000 0.3333333 0.2586391), wk = 0.0032051 k( 172) = ( 0.0000000 0.3472222 0.2586391), wk = 0.0032051 k( 173) = ( 0.0000000 0.3611111 0.2586391), wk = 0.0032051 k( 174) = ( 0.0000000 0.3750000 0.2586391), wk = 0.0032051 k( 175) = ( 0.0000000 0.3888889 0.2586391), wk = 0.0032051 k( 176) = ( 0.0000000 0.4027778 0.2586391), wk = 0.0032051 k( 177) = ( 0.0000000 0.4166667 0.2586391), wk = 0.0032051 k( 178) = ( 0.0000000 0.4305556 0.2586391), wk = 0.0032051 k( 179) = ( 0.0000000 0.4444444 0.2586391), wk = 0.0032051 k( 180) = ( 0.0000000 0.4583333 0.2586391), wk = 0.0032051 k( 181) = ( 0.0000000 0.4722222 0.2586391), wk = 0.0032051 k( 182) = ( 0.0000000 0.4861111 0.2586391), wk = 0.0032051 k( 183) = ( 0.0000000 0.5000000 0.2586391), wk = 0.0032051 k( 184) = ( 0.0000000 0.5000000 0.2586391), wk = 0.0032051 k( 185) = ( 0.0138889 0.5000000 0.2586391), wk = 0.0032051 k( 186) = ( 0.0277778 0.5000000 0.2586391), wk = 0.0032051 k( 187) = ( 0.0416667 0.5000000 0.2586391), wk = 0.0032051 k( 188) = ( 0.0555556 0.5000000 0.2586391), wk = 0.0032051 k( 189) = ( 0.0694444 0.5000000 0.2586391), wk = 0.0032051 k( 190) = ( 0.0833333 0.5000000 0.2586391), wk = 0.0032051 k( 191) = ( 0.0972222 0.5000000 0.2586391), wk = 0.0032051 k( 192) = ( 0.1111111 0.5000000 0.2586391), wk = 0.0032051 k( 193) = ( 0.1250000 0.5000000 0.2586391), wk = 0.0032051 k( 194) = ( 0.1388889 0.5000000 0.2586391), wk = 0.0032051 k( 195) = ( 0.1527778 0.5000000 0.2586391), wk = 0.0032051 k( 196) = ( 0.1666667 0.5000000 0.2586391), wk = 0.0032051 k( 197) = ( 0.1805556 0.5000000 0.2586391), wk = 0.0032051 k( 198) = ( 0.1944444 0.5000000 0.2586391), wk = 0.0032051 k( 199) = ( 0.2083333 0.5000000 0.2586391), wk = 0.0032051 k( 200) = ( 0.2222222 0.5000000 0.2586391), wk = 0.0032051 k( 201) = ( 0.2361111 0.5000000 0.2586391), wk = 0.0032051 k( 202) = ( 0.2500000 0.5000000 0.2586391), wk = 0.0032051 k( 203) = ( 0.2638889 0.5000000 0.2586391), wk = 0.0032051 k( 204) = ( 0.2777778 0.5000000 0.2586391), wk = 0.0032051 k( 205) = ( 0.2916667 0.5000000 0.2586391), wk = 0.0032051 k( 206) = ( 0.3055556 0.5000000 0.2586391), wk = 0.0032051 k( 207) = ( 0.3194444 0.5000000 0.2586391), wk = 0.0032051 k( 208) = ( 0.3333333 0.5000000 0.2586391), wk = 0.0032051 k( 209) = ( 0.3472222 0.5000000 0.2586391), wk = 0.0032051 k( 210) = ( 0.3611111 0.5000000 0.2586391), wk = 0.0032051 k( 211) = ( 0.3750000 0.5000000 0.2586391), wk = 0.0032051 k( 212) = ( 0.3888889 0.5000000 0.2586391), wk = 0.0032051 k( 213) = ( 0.4027778 0.5000000 0.2586391), wk = 0.0032051 k( 214) = ( 0.4166667 0.5000000 0.2586391), wk = 0.0032051 k( 215) = ( 0.4305556 0.5000000 0.2586391), wk = 0.0032051 k( 216) = ( 0.4444444 0.5000000 0.2586391), wk = 0.0032051 k( 217) = ( 0.4583333 0.5000000 0.2586391), wk = 0.0032051 k( 218) = ( 0.4722222 0.5000000 0.2586391), wk = 0.0032051 k( 219) = ( 0.4861111 0.5000000 0.2586391), wk = 0.0032051 k( 220) = ( 0.5000000 0.5000000 0.2586391), wk = 0.0032051 k( 221) = ( 0.5000000 0.5000000 0.2586391), wk = 0.0032051 k( 222) = ( 0.4901961 0.4901961 0.2586391), wk = 0.0032051 k( 223) = ( 0.4803922 0.4803922 0.2586391), wk = 0.0032051 k( 224) = ( 0.4705882 0.4705882 0.2586391), wk = 0.0032051 k( 225) = ( 0.4607843 0.4607843 0.2586391), wk = 0.0032051 k( 226) = ( 0.4509804 0.4509804 0.2586391), wk = 0.0032051 k( 227) = ( 0.4411765 0.4411765 0.2586391), wk = 0.0032051 k( 228) = ( 0.4313726 0.4313725 0.2586391), wk = 0.0032051 k( 229) = ( 0.4215686 0.4215686 0.2586391), wk = 0.0032051 k( 230) = ( 0.4117647 0.4117647 0.2586391), wk = 0.0032051 k( 231) = ( 0.4019608 0.4019608 0.2586391), wk = 0.0032051 k( 232) = ( 0.3921569 0.3921569 0.2586391), wk = 0.0032051 k( 233) = ( 0.3823529 0.3823529 0.2586391), wk = 0.0032051 k( 234) = ( 0.3725490 0.3725490 0.2586391), wk = 0.0032051 k( 235) = ( 0.3627451 0.3627451 0.2586391), wk = 0.0032051 k( 236) = ( 0.3529412 0.3529412 0.2586391), wk = 0.0032051 k( 237) = ( 0.3431373 0.3431372 0.2586391), wk = 0.0032051 k( 238) = ( 0.3333333 0.3333333 0.2586391), wk = 0.0032051 k( 239) = ( 0.3235294 0.3235294 0.2586391), wk = 0.0032051 k( 240) = ( 0.3137255 0.3137255 0.2586391), wk = 0.0032051 k( 241) = ( 0.3039216 0.3039216 0.2586391), wk = 0.0032051 k( 242) = ( 0.2941177 0.2941176 0.2586391), wk = 0.0032051 k( 243) = ( 0.2843137 0.2843137 0.2586391), wk = 0.0032051 k( 244) = ( 0.2745098 0.2745098 0.2586391), wk = 0.0032051 k( 245) = ( 0.2647059 0.2647059 0.2586391), wk = 0.0032051 k( 246) = ( 0.2549020 0.2549020 0.2586391), wk = 0.0032051 k( 247) = ( 0.2450980 0.2450980 0.2586391), wk = 0.0032051 k( 248) = ( 0.2352941 0.2352941 0.2586391), wk = 0.0032051 k( 249) = ( 0.2254902 0.2254902 0.2586391), wk = 0.0032051 k( 250) = ( 0.2156863 0.2156863 0.2586391), wk = 0.0032051 k( 251) = ( 0.2058823 0.2058823 0.2586391), wk = 0.0032051 k( 252) = ( 0.1960784 0.1960784 0.2586391), wk = 0.0032051 k( 253) = ( 0.1862745 0.1862745 0.2586391), wk = 0.0032051 k( 254) = ( 0.1764706 0.1764706 0.2586391), wk = 0.0032051 k( 255) = ( 0.1666667 0.1666667 0.2586391), wk = 0.0032051 k( 256) = ( 0.1568627 0.1568627 0.2586391), wk = 0.0032051 k( 257) = ( 0.1470588 0.1470588 0.2586391), wk = 0.0032051 k( 258) = ( 0.1372549 0.1372549 0.2586391), wk = 0.0032051 k( 259) = ( 0.1274510 0.1274510 0.2586391), wk = 0.0032051 k( 260) = ( 0.1176471 0.1176471 0.2586391), wk = 0.0032051 k( 261) = ( 0.1078431 0.1078431 0.2586391), wk = 0.0032051 k( 262) = ( 0.0980392 0.0980392 0.2586391), wk = 0.0032051 k( 263) = ( 0.0882353 0.0882353 0.2586391), wk = 0.0032051 k( 264) = ( 0.0784314 0.0784314 0.2586391), wk = 0.0032051 k( 265) = ( 0.0686275 0.0686275 0.2586391), wk = 0.0032051 k( 266) = ( 0.0588235 0.0588235 0.2586391), wk = 0.0032051 k( 267) = ( 0.0490196 0.0490196 0.2586391), wk = 0.0032051 k( 268) = ( 0.0392157 0.0392157 0.2586391), wk = 0.0032051 k( 269) = ( 0.0294118 0.0294118 0.2586391), wk = 0.0032051 k( 270) = ( 0.0196078 0.0196078 0.2586391), wk = 0.0032051 k( 271) = ( 0.0098039 0.0098039 0.2586391), wk = 0.0032051 k( 272) = ( 0.0000000 0.0000000 0.2586391), wk = 0.0032051 k( 273) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0032051 k( 274) = ( 0.0000000 0.5000000 0.0136126), wk = 0.0032051 k( 275) = ( 0.0000000 0.5000000 0.0272252), wk = 0.0032051 k( 276) = ( 0.0000000 0.5000000 0.0408377), wk = 0.0032051 k( 277) = ( 0.0000000 0.5000000 0.0544503), wk = 0.0032051 k( 278) = ( 0.0000000 0.5000000 0.0680629), wk = 0.0032051 k( 279) = ( 0.0000000 0.5000000 0.0816755), wk = 0.0032051 k( 280) = ( 0.0000000 0.5000000 0.0952881), wk = 0.0032051 k( 281) = ( 0.0000000 0.5000000 0.1089007), wk = 0.0032051 k( 282) = ( 0.0000000 0.5000000 0.1225132), wk = 0.0032051 k( 283) = ( 0.0000000 0.5000000 0.1361258), wk = 0.0032051 k( 284) = ( 0.0000000 0.5000000 0.1497384), wk = 0.0032051 k( 285) = ( 0.0000000 0.5000000 0.1633510), wk = 0.0032051 k( 286) = ( 0.0000000 0.5000000 0.1769636), wk = 0.0032051 k( 287) = ( 0.0000000 0.5000000 0.1905761), wk = 0.0032051 k( 288) = ( 0.0000000 0.5000000 0.2041887), wk = 0.0032051 k( 289) = ( 0.0000000 0.5000000 0.2178013), wk = 0.0032051 k( 290) = ( 0.0000000 0.5000000 0.2314139), wk = 0.0032051 k( 291) = ( 0.0000000 0.5000000 0.2450265), wk = 0.0032051 k( 292) = ( 0.0000000 0.5000000 0.2586391), wk = 0.0032051 k( 293) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0032051 k( 294) = ( 0.5000000 0.5000000 0.0136126), wk = 0.0032051 k( 295) = ( 0.5000000 0.5000000 0.0272252), wk = 0.0032051 k( 296) = ( 0.5000000 0.5000000 0.0408377), wk = 0.0032051 k( 297) = ( 0.5000000 0.5000000 0.0544503), wk = 0.0032051 k( 298) = ( 0.5000000 0.5000000 0.0680629), wk = 0.0032051 k( 299) = ( 0.5000000 0.5000000 0.0816755), wk = 0.0032051 k( 300) = ( 0.5000000 0.5000000 0.0952881), wk = 0.0032051 k( 301) = ( 0.5000000 0.5000000 0.1089007), wk = 0.0032051 k( 302) = ( 0.5000000 0.5000000 0.1225132), wk = 0.0032051 k( 303) = ( 0.5000000 0.5000000 0.1361258), wk = 0.0032051 k( 304) = ( 0.5000000 0.5000000 0.1497384), wk = 0.0032051 k( 305) = ( 0.5000000 0.5000000 0.1633510), wk = 0.0032051 k( 306) = ( 0.5000000 0.5000000 0.1769636), wk = 0.0032051 k( 307) = ( 0.5000000 0.5000000 0.1905761), wk = 0.0032051 k( 308) = ( 0.5000000 0.5000000 0.2041887), wk = 0.0032051 k( 309) = ( 0.5000000 0.5000000 0.2178013), wk = 0.0032051 k( 310) = ( 0.5000000 0.5000000 0.2314139), wk = 0.0032051 k( 311) = ( 0.5000000 0.5000000 0.2450265), wk = 0.0032051 k( 312) = ( 0.5000000 0.5000000 0.2586391), wk = 0.0032051 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 2) = ( 0.0000000 0.0138889 0.0000000), wk = 0.0032051 k( 3) = ( 0.0000000 0.0277778 0.0000000), wk = 0.0032051 k( 4) = ( 0.0000000 0.0416667 -0.0000000), wk = 0.0032051 k( 5) = ( 0.0000000 0.0555556 0.0000000), wk = 0.0032051 k( 6) = ( 0.0000000 0.0694444 0.0000000), wk = 0.0032051 k( 7) = ( 0.0000000 0.0833333 0.0000000), wk = 0.0032051 k( 8) = ( 0.0000000 0.0972222 -0.0000000), wk = 0.0032051 k( 9) = ( 0.0000000 0.1111111 -0.0000000), wk = 0.0032051 k( 10) = ( 0.0000000 0.1250000 0.0000000), wk = 0.0032051 k( 11) = ( 0.0000000 0.1388889 -0.0000000), wk = 0.0032051 k( 12) = ( 0.0000000 0.1527778 -0.0000000), wk = 0.0032051 k( 13) = ( 0.0000000 0.1666667 -0.0000000), wk = 0.0032051 k( 14) = ( 0.0000000 0.1805556 -0.0000000), wk = 0.0032051 k( 15) = ( 0.0000000 0.1944444 -0.0000000), wk = 0.0032051 k( 16) = ( 0.0000000 0.2083333 -0.0000000), wk = 0.0032051 k( 17) = ( 0.0000000 0.2222222 -0.0000000), wk = 0.0032051 k( 18) = ( 0.0000000 0.2361111 -0.0000000), wk = 0.0032051 k( 19) = ( 0.0000000 0.2500000 0.0000000), wk = 0.0032051 k( 20) = ( 0.0000000 0.2638889 0.0000000), wk = 0.0032051 k( 21) = ( 0.0000000 0.2777778 -0.0000000), wk = 0.0032051 k( 22) = ( 0.0000000 0.2916667 -0.0000000), wk = 0.0032051 k( 23) = ( 0.0000000 0.3055556 -0.0000000), wk = 0.0032051 k( 24) = ( 0.0000000 0.3194444 -0.0000000), wk = 0.0032051 k( 25) = ( 0.0000000 0.3333333 -0.0000000), wk = 0.0032051 k( 26) = ( 0.0000000 0.3472222 -0.0000000), wk = 0.0032051 k( 27) = ( 0.0000000 0.3611111 -0.0000000), wk = 0.0032051 k( 28) = ( 0.0000000 0.3750000 -0.0000000), wk = 0.0032051 k( 29) = ( 0.0000000 0.3888889 0.0000000), wk = 0.0032051 k( 30) = ( 0.0000000 0.4027778 0.0000000), wk = 0.0032051 k( 31) = ( 0.0000000 0.4166667 0.0000000), wk = 0.0032051 k( 32) = ( 0.0000000 0.4305556 0.0000000), wk = 0.0032051 k( 33) = ( 0.0000000 0.4444444 -0.0000000), wk = 0.0032051 k( 34) = ( 0.0000000 0.4583333 -0.0000000), wk = 0.0032051 k( 35) = ( 0.0000000 0.4722222 -0.0000000), wk = 0.0032051 k( 36) = ( 0.0000000 0.4861111 -0.0000000), wk = 0.0032051 k( 37) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032051 k( 38) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032051 k( 39) = ( 0.0138889 0.5000000 0.0000000), wk = 0.0032051 k( 40) = ( 0.0277778 0.5000000 0.0000000), wk = 0.0032051 k( 41) = ( 0.0416667 0.5000000 0.0000000), wk = 0.0032051 k( 42) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0032051 k( 43) = ( 0.0694444 0.5000000 0.0000000), wk = 0.0032051 k( 44) = ( 0.0833333 0.5000000 0.0000000), wk = 0.0032051 k( 45) = ( 0.0972222 0.5000000 0.0000000), wk = 0.0032051 k( 46) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0032051 k( 47) = ( 0.1250000 0.5000000 0.0000000), wk = 0.0032051 k( 48) = ( 0.1388889 0.5000000 0.0000000), wk = 0.0032051 k( 49) = ( 0.1527778 0.5000000 0.0000000), wk = 0.0032051 k( 50) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0032051 k( 51) = ( 0.1805556 0.5000000 0.0000000), wk = 0.0032051 k( 52) = ( 0.1944444 0.5000000 0.0000000), wk = 0.0032051 k( 53) = ( 0.2083333 0.5000000 0.0000000), wk = 0.0032051 k( 54) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0032051 k( 55) = ( 0.2361111 0.5000000 0.0000000), wk = 0.0032051 k( 56) = ( 0.2500000 0.5000000 -0.0000000), wk = 0.0032051 k( 57) = ( 0.2638889 0.5000000 -0.0000000), wk = 0.0032051 k( 58) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0032051 k( 59) = ( 0.2916667 0.5000000 -0.0000000), wk = 0.0032051 k( 60) = ( 0.3055556 0.5000000 -0.0000000), wk = 0.0032051 k( 61) = ( 0.3194444 0.5000000 -0.0000000), wk = 0.0032051 k( 62) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0032051 k( 63) = ( 0.3472222 0.5000000 0.0000000), wk = 0.0032051 k( 64) = ( 0.3611111 0.5000000 -0.0000000), wk = 0.0032051 k( 65) = ( 0.3750000 0.5000000 0.0000000), wk = 0.0032051 k( 66) = ( 0.3888889 0.5000000 -0.0000000), wk = 0.0032051 k( 67) = ( 0.4027778 0.5000000 0.0000000), wk = 0.0032051 k( 68) = ( 0.4166667 0.5000000 0.0000000), wk = 0.0032051 k( 69) = ( 0.4305556 0.5000000 -0.0000000), wk = 0.0032051 k( 70) = ( 0.4444444 0.5000000 -0.0000000), wk = 0.0032051 k( 71) = ( 0.4583333 0.5000000 -0.0000000), wk = 0.0032051 k( 72) = ( 0.4722222 0.5000000 -0.0000000), wk = 0.0032051 k( 73) = ( 0.4861111 0.5000000 -0.0000000), wk = 0.0032051 k( 74) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032051 k( 75) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032051 k( 76) = ( 0.4901961 0.4901961 0.0000000), wk = 0.0032051 k( 77) = ( 0.4803922 0.4803922 0.0000000), wk = 0.0032051 k( 78) = ( 0.4705882 0.4705882 -0.0000000), wk = 0.0032051 k( 79) = ( 0.4607843 0.4607843 -0.0000000), wk = 0.0032051 k( 80) = ( 0.4509804 0.4509804 -0.0000000), wk = 0.0032051 k( 81) = ( 0.4411765 0.4411765 -0.0000000), wk = 0.0032051 k( 82) = ( 0.4313726 0.4313726 0.0000000), wk = 0.0032051 k( 83) = ( 0.4215686 0.4215686 -0.0000000), wk = 0.0032051 k( 84) = ( 0.4117647 0.4117647 0.0000000), wk = 0.0032051 k( 85) = ( 0.4019608 0.4019608 -0.0000000), wk = 0.0032051 k( 86) = ( 0.3921569 0.3921569 -0.0000000), wk = 0.0032051 k( 87) = ( 0.3823529 0.3823529 -0.0000000), wk = 0.0032051 k( 88) = ( 0.3725490 0.3725490 -0.0000000), wk = 0.0032051 k( 89) = ( 0.3627451 0.3627451 0.0000000), wk = 0.0032051 k( 90) = ( 0.3529412 0.3529412 -0.0000000), wk = 0.0032051 k( 91) = ( 0.3431373 0.3431373 0.0000000), wk = 0.0032051 k( 92) = ( 0.3333333 0.3333333 -0.0000000), wk = 0.0032051 k( 93) = ( 0.3235294 0.3235294 -0.0000000), wk = 0.0032051 k( 94) = ( 0.3137255 0.3137255 -0.0000000), wk = 0.0032051 k( 95) = ( 0.3039216 0.3039216 0.0000000), wk = 0.0032051 k( 96) = ( 0.2941177 0.2941177 -0.0000000), wk = 0.0032051 k( 97) = ( 0.2843137 0.2843137 -0.0000000), wk = 0.0032051 k( 98) = ( 0.2745098 0.2745098 0.0000000), wk = 0.0032051 k( 99) = ( 0.2647059 0.2647059 0.0000000), wk = 0.0032051 k( 100) = ( 0.2549020 0.2549020 0.0000000), wk = 0.0032051 k( 101) = ( 0.2450980 0.2450980 0.0000000), wk = 0.0032051 k( 102) = ( 0.2352941 0.2352941 -0.0000000), wk = 0.0032051 k( 103) = ( 0.2254902 0.2254902 -0.0000000), wk = 0.0032051 k( 104) = ( 0.2156863 0.2156863 -0.0000000), wk = 0.0032051 k( 105) = ( 0.2058823 0.2058823 -0.0000000), wk = 0.0032051 k( 106) = ( 0.1960784 0.1960784 -0.0000000), wk = 0.0032051 k( 107) = ( 0.1862745 0.1862745 -0.0000000), wk = 0.0032051 k( 108) = ( 0.1764706 0.1764706 -0.0000000), wk = 0.0032051 k( 109) = ( 0.1666667 0.1666667 -0.0000000), wk = 0.0032051 k( 110) = ( 0.1568627 0.1568627 -0.0000000), wk = 0.0032051 k( 111) = ( 0.1470588 0.1470588 0.0000000), wk = 0.0032051 k( 112) = ( 0.1372549 0.1372549 0.0000000), wk = 0.0032051 k( 113) = ( 0.1274510 0.1274510 0.0000000), wk = 0.0032051 k( 114) = ( 0.1176471 0.1176471 -0.0000000), wk = 0.0032051 k( 115) = ( 0.1078431 0.1078431 0.0000000), wk = 0.0032051 k( 116) = ( 0.0980392 0.0980392 -0.0000000), wk = 0.0032051 k( 117) = ( 0.0882353 0.0882353 0.0000000), wk = 0.0032051 k( 118) = ( 0.0784314 0.0784314 -0.0000000), wk = 0.0032051 k( 119) = ( 0.0686275 0.0686275 0.0000000), wk = 0.0032051 k( 120) = ( 0.0588235 0.0588235 -0.0000000), wk = 0.0032051 k( 121) = ( 0.0490196 0.0490196 -0.0000000), wk = 0.0032051 k( 122) = ( 0.0392157 0.0392157 0.0000000), wk = 0.0032051 k( 123) = ( 0.0294118 0.0294118 -0.0000000), wk = 0.0032051 k( 124) = ( 0.0196078 0.0196078 -0.0000000), wk = 0.0032051 k( 125) = ( 0.0098039 0.0098039 -0.0000000), wk = 0.0032051 k( 126) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 127) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0032051 k( 128) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0032051 k( 129) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0032051 k( 130) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0032051 k( 131) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0032051 k( 132) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0032051 k( 133) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0032051 k( 134) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0032051 k( 135) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0032051 k( 136) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0032051 k( 137) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0032051 k( 138) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0032051 k( 139) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0032051 k( 140) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0032051 k( 141) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0032051 k( 142) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0032051 k( 143) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0032051 k( 144) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0032051 k( 145) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0032051 k( 146) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 147) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 148) = ( 0.0000000 0.0138889 0.5000000), wk = 0.0032051 k( 149) = ( 0.0000000 0.0277778 0.5000000), wk = 0.0032051 k( 150) = ( 0.0000000 0.0416667 0.5000000), wk = 0.0032051 k( 151) = ( 0.0000000 0.0555556 0.5000000), wk = 0.0032051 k( 152) = ( 0.0000000 0.0694444 0.5000000), wk = 0.0032051 k( 153) = ( 0.0000000 0.0833333 0.5000000), wk = 0.0032051 k( 154) = ( 0.0000000 0.0972222 0.5000000), wk = 0.0032051 k( 155) = ( 0.0000000 0.1111111 0.5000000), wk = 0.0032051 k( 156) = ( 0.0000000 0.1250000 0.5000000), wk = 0.0032051 k( 157) = ( 0.0000000 0.1388889 0.5000000), wk = 0.0032051 k( 158) = ( 0.0000000 0.1527778 0.5000000), wk = 0.0032051 k( 159) = ( 0.0000000 0.1666667 0.5000000), wk = 0.0032051 k( 160) = ( 0.0000000 0.1805556 0.5000000), wk = 0.0032051 k( 161) = ( 0.0000000 0.1944444 0.5000000), wk = 0.0032051 k( 162) = ( 0.0000000 0.2083333 0.5000000), wk = 0.0032051 k( 163) = ( 0.0000000 0.2222222 0.5000000), wk = 0.0032051 k( 164) = ( 0.0000000 0.2361111 0.5000000), wk = 0.0032051 k( 165) = ( 0.0000000 0.2500000 0.5000000), wk = 0.0032051 k( 166) = ( 0.0000000 0.2638889 0.5000000), wk = 0.0032051 k( 167) = ( 0.0000000 0.2777778 0.5000000), wk = 0.0032051 k( 168) = ( 0.0000000 0.2916667 0.5000000), wk = 0.0032051 k( 169) = ( 0.0000000 0.3055556 0.5000000), wk = 0.0032051 k( 170) = ( 0.0000000 0.3194444 0.5000000), wk = 0.0032051 k( 171) = ( 0.0000000 0.3333333 0.5000000), wk = 0.0032051 k( 172) = ( 0.0000000 0.3472222 0.5000000), wk = 0.0032051 k( 173) = ( 0.0000000 0.3611111 0.5000000), wk = 0.0032051 k( 174) = ( 0.0000000 0.3750000 0.5000000), wk = 0.0032051 k( 175) = ( 0.0000000 0.3888889 0.5000000), wk = 0.0032051 k( 176) = ( 0.0000000 0.4027778 0.5000000), wk = 0.0032051 k( 177) = ( 0.0000000 0.4166667 0.5000000), wk = 0.0032051 k( 178) = ( 0.0000000 0.4305556 0.5000000), wk = 0.0032051 k( 179) = ( 0.0000000 0.4444444 0.5000000), wk = 0.0032051 k( 180) = ( 0.0000000 0.4583333 0.5000000), wk = 0.0032051 k( 181) = ( 0.0000000 0.4722222 0.5000000), wk = 0.0032051 k( 182) = ( 0.0000000 0.4861111 0.5000000), wk = 0.0032051 k( 183) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032051 k( 184) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032051 k( 185) = ( 0.0138889 0.5000000 0.5000000), wk = 0.0032051 k( 186) = ( 0.0277778 0.5000000 0.5000000), wk = 0.0032051 k( 187) = ( 0.0416667 0.5000000 0.5000000), wk = 0.0032051 k( 188) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0032051 k( 189) = ( 0.0694444 0.5000000 0.5000000), wk = 0.0032051 k( 190) = ( 0.0833333 0.5000000 0.5000000), wk = 0.0032051 k( 191) = ( 0.0972222 0.5000000 0.5000000), wk = 0.0032051 k( 192) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0032051 k( 193) = ( 0.1250000 0.5000000 0.5000000), wk = 0.0032051 k( 194) = ( 0.1388889 0.5000000 0.5000000), wk = 0.0032051 k( 195) = ( 0.1527778 0.5000000 0.5000000), wk = 0.0032051 k( 196) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0032051 k( 197) = ( 0.1805556 0.5000000 0.5000000), wk = 0.0032051 k( 198) = ( 0.1944444 0.5000000 0.5000000), wk = 0.0032051 k( 199) = ( 0.2083333 0.5000000 0.5000000), wk = 0.0032051 k( 200) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0032051 k( 201) = ( 0.2361111 0.5000000 0.5000000), wk = 0.0032051 k( 202) = ( 0.2500000 0.5000000 0.5000000), wk = 0.0032051 k( 203) = ( 0.2638889 0.5000000 0.5000000), wk = 0.0032051 k( 204) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0032051 k( 205) = ( 0.2916667 0.5000000 0.5000000), wk = 0.0032051 k( 206) = ( 0.3055556 0.5000000 0.5000000), wk = 0.0032051 k( 207) = ( 0.3194444 0.5000000 0.5000000), wk = 0.0032051 k( 208) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0032051 k( 209) = ( 0.3472222 0.5000000 0.5000000), wk = 0.0032051 k( 210) = ( 0.3611111 0.5000000 0.5000000), wk = 0.0032051 k( 211) = ( 0.3750000 0.5000000 0.5000000), wk = 0.0032051 k( 212) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0032051 k( 213) = ( 0.4027778 0.5000000 0.5000000), wk = 0.0032051 k( 214) = ( 0.4166667 0.5000000 0.5000000), wk = 0.0032051 k( 215) = ( 0.4305556 0.5000000 0.5000000), wk = 0.0032051 k( 216) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0032051 k( 217) = ( 0.4583333 0.5000000 0.5000000), wk = 0.0032051 k( 218) = ( 0.4722222 0.5000000 0.5000000), wk = 0.0032051 k( 219) = ( 0.4861111 0.5000000 0.5000000), wk = 0.0032051 k( 220) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032051 k( 221) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032051 k( 222) = ( 0.4901961 0.4901961 0.5000000), wk = 0.0032051 k( 223) = ( 0.4803922 0.4803922 0.5000000), wk = 0.0032051 k( 224) = ( 0.4705882 0.4705882 0.5000000), wk = 0.0032051 k( 225) = ( 0.4607843 0.4607843 0.5000000), wk = 0.0032051 k( 226) = ( 0.4509804 0.4509804 0.5000000), wk = 0.0032051 k( 227) = ( 0.4411765 0.4411765 0.5000000), wk = 0.0032051 k( 228) = ( 0.4313726 0.4313726 0.5000000), wk = 0.0032051 k( 229) = ( 0.4215686 0.4215686 0.5000000), wk = 0.0032051 k( 230) = ( 0.4117647 0.4117647 0.5000000), wk = 0.0032051 k( 231) = ( 0.4019608 0.4019608 0.5000000), wk = 0.0032051 k( 232) = ( 0.3921569 0.3921569 0.5000000), wk = 0.0032051 k( 233) = ( 0.3823529 0.3823529 0.5000000), wk = 0.0032051 k( 234) = ( 0.3725490 0.3725490 0.5000000), wk = 0.0032051 k( 235) = ( 0.3627451 0.3627451 0.5000000), wk = 0.0032051 k( 236) = ( 0.3529412 0.3529412 0.5000000), wk = 0.0032051 k( 237) = ( 0.3431373 0.3431373 0.5000000), wk = 0.0032051 k( 238) = ( 0.3333333 0.3333333 0.5000000), wk = 0.0032051 k( 239) = ( 0.3235294 0.3235294 0.5000000), wk = 0.0032051 k( 240) = ( 0.3137255 0.3137255 0.5000000), wk = 0.0032051 k( 241) = ( 0.3039216 0.3039216 0.5000000), wk = 0.0032051 k( 242) = ( 0.2941177 0.2941177 0.5000000), wk = 0.0032051 k( 243) = ( 0.2843137 0.2843137 0.5000000), wk = 0.0032051 k( 244) = ( 0.2745098 0.2745098 0.5000000), wk = 0.0032051 k( 245) = ( 0.2647059 0.2647059 0.5000000), wk = 0.0032051 k( 246) = ( 0.2549020 0.2549020 0.5000000), wk = 0.0032051 k( 247) = ( 0.2450980 0.2450980 0.5000000), wk = 0.0032051 k( 248) = ( 0.2352941 0.2352941 0.5000000), wk = 0.0032051 k( 249) = ( 0.2254902 0.2254902 0.5000000), wk = 0.0032051 k( 250) = ( 0.2156863 0.2156863 0.5000000), wk = 0.0032051 k( 251) = ( 0.2058823 0.2058823 0.5000000), wk = 0.0032051 k( 252) = ( 0.1960784 0.1960784 0.5000000), wk = 0.0032051 k( 253) = ( 0.1862745 0.1862745 0.5000000), wk = 0.0032051 k( 254) = ( 0.1764706 0.1764706 0.5000000), wk = 0.0032051 k( 255) = ( 0.1666667 0.1666667 0.5000000), wk = 0.0032051 k( 256) = ( 0.1568627 0.1568627 0.5000000), wk = 0.0032051 k( 257) = ( 0.1470588 0.1470588 0.5000000), wk = 0.0032051 k( 258) = ( 0.1372549 0.1372549 0.5000000), wk = 0.0032051 k( 259) = ( 0.1274510 0.1274510 0.5000000), wk = 0.0032051 k( 260) = ( 0.1176471 0.1176471 0.5000000), wk = 0.0032051 k( 261) = ( 0.1078431 0.1078431 0.5000000), wk = 0.0032051 k( 262) = ( 0.0980392 0.0980392 0.5000000), wk = 0.0032051 k( 263) = ( 0.0882353 0.0882353 0.5000000), wk = 0.0032051 k( 264) = ( 0.0784314 0.0784314 0.5000000), wk = 0.0032051 k( 265) = ( 0.0686275 0.0686275 0.5000000), wk = 0.0032051 k( 266) = ( 0.0588235 0.0588235 0.5000000), wk = 0.0032051 k( 267) = ( 0.0490196 0.0490196 0.5000000), wk = 0.0032051 k( 268) = ( 0.0392157 0.0392157 0.5000000), wk = 0.0032051 k( 269) = ( 0.0294118 0.0294118 0.5000000), wk = 0.0032051 k( 270) = ( 0.0196078 0.0196078 0.5000000), wk = 0.0032051 k( 271) = ( 0.0098039 0.0098039 0.5000000), wk = 0.0032051 k( 272) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0032051 k( 273) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0032051 k( 274) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0032051 k( 275) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0032051 k( 276) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0032051 k( 277) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0032051 k( 278) = ( 0.0000000 0.5000000 0.1315790), wk = 0.0032051 k( 279) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0032051 k( 280) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0032051 k( 281) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0032051 k( 282) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0032051 k( 283) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0032051 k( 284) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0032051 k( 285) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0032051 k( 286) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0032051 k( 287) = ( 0.0000000 0.5000000 0.3684211), wk = 0.0032051 k( 288) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0032051 k( 289) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0032051 k( 290) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0032051 k( 291) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0032051 k( 292) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0032051 k( 293) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0032051 k( 294) = ( 0.5000000 0.5000000 0.0263158), wk = 0.0032051 k( 295) = ( 0.5000000 0.5000000 0.0526316), wk = 0.0032051 k( 296) = ( 0.5000000 0.5000000 0.0789474), wk = 0.0032051 k( 297) = ( 0.5000000 0.5000000 0.1052632), wk = 0.0032051 k( 298) = ( 0.5000000 0.5000000 0.1315790), wk = 0.0032051 k( 299) = ( 0.5000000 0.5000000 0.1578947), wk = 0.0032051 k( 300) = ( 0.5000000 0.5000000 0.1842105), wk = 0.0032051 k( 301) = ( 0.5000000 0.5000000 0.2105263), wk = 0.0032051 k( 302) = ( 0.5000000 0.5000000 0.2368421), wk = 0.0032051 k( 303) = ( 0.5000000 0.5000000 0.2631579), wk = 0.0032051 k( 304) = ( 0.5000000 0.5000000 0.2894737), wk = 0.0032051 k( 305) = ( 0.5000000 0.5000000 0.3157895), wk = 0.0032051 k( 306) = ( 0.5000000 0.5000000 0.3421053), wk = 0.0032051 k( 307) = ( 0.5000000 0.5000000 0.3684211), wk = 0.0032051 k( 308) = ( 0.5000000 0.5000000 0.3947368), wk = 0.0032051 k( 309) = ( 0.5000000 0.5000000 0.4210526), wk = 0.0032051 k( 310) = ( 0.5000000 0.5000000 0.4473684), wk = 0.0032051 k( 311) = ( 0.5000000 0.5000000 0.4736842), wk = 0.0032051 k( 312) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0032051 Dense grid: 78475 G-vectors FFT dimensions: ( 45, 45, 90) Smooth grid: 45865 G-vectors FFT dimensions: ( 36, 36, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.12 Mb ( 186, 44) NL pseudopotentials 0.20 Mb ( 93, 140) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1092) G-vector shells 0.00 Mb ( 556) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.50 Mb ( 186, 176) Each subspace H/S matrix 0.01 Mb ( 29, 29) Each matrix 0.19 Mb ( 140, 2, 44) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SrHI.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.8 secs Computing kpt #: 2 total cpu time spent up to now is 5.1 secs Computing kpt #: 3 total cpu time spent up to now is 6.5 secs Computing kpt #: 4 total cpu time spent up to now is 7.6 secs Computing kpt #: 5 total cpu time spent up to now is 9.0 secs Computing kpt #: 6 total cpu time spent up to now is 10.3 secs Computing kpt #: 7 total cpu time spent up to now is 11.6 secs Computing kpt #: 8 total cpu time spent up to now is 12.7 secs Computing kpt #: 9 total cpu time spent up to now is 13.8 secs Computing kpt #: 10 total cpu time spent up to now is 14.8 secs Computing kpt #: 11 total cpu time spent up to now is 16.0 secs Computing kpt #: 12 total cpu time spent up to now is 17.0 secs Computing kpt #: 13 total cpu time spent up to now is 18.3 secs Computing kpt #: 14 total cpu time spent up to now is 19.1 secs Computing kpt #: 15 total cpu time spent up to now is 20.0 secs Computing kpt #: 16 total cpu time spent up to now is 20.8 secs Computing kpt #: 17 total cpu time spent up to now is 21.7 secs Computing kpt #: 18 total cpu time spent up to now is 22.7 secs Computing kpt #: 19 total cpu time spent up to now is 23.7 secs Computing kpt #: 20 total cpu time spent up to now is 24.5 secs Computing kpt #: 21 total cpu time spent up to now is 25.5 secs Computing kpt #: 22 total cpu time spent up to now is 26.4 secs Computing kpt #: 23 total cpu time spent up to now is 27.3 secs Computing kpt #: 24 total cpu time spent up to now is 28.4 secs Computing kpt #: 25 total cpu time spent up to now is 29.3 secs Computing kpt #: 26 total cpu time spent up to now is 30.6 secs Computing kpt #: 27 total cpu time spent up to now is 31.6 secs Computing kpt #: 28 total cpu time spent up to now is 32.5 secs Computing kpt #: 29 total cpu time spent up to now is 33.3 secs Computing kpt #: 30 total cpu time spent up to now is 34.4 secs Computing kpt #: 31 total cpu time spent up to now is 35.3 secs Computing kpt #: 32 total cpu time spent up to now is 36.2 secs Computing kpt #: 33 total cpu time spent up to now is 37.1 secs Computing kpt #: 34 total cpu time spent up to now is 37.8 secs Computing kpt #: 35 total cpu time spent up to now is 38.7 secs Computing kpt #: 36 total cpu time spent up to now is 39.5 secs Computing kpt #: 37 total cpu time spent up to now is 40.2 secs Computing kpt #: 38 total cpu time spent up to now is 41.1 secs Computing kpt #: 39 total cpu time spent up to now is 41.9 secs Computing kpt #: 40 total cpu time spent up to now is 42.8 secs Computing kpt #: 41 total cpu time spent up to now is 43.8 secs Computing kpt #: 42 total cpu time spent up to now is 44.5 secs Computing kpt #: 43 total cpu time spent up to now is 45.3 secs Computing kpt #: 44 total cpu time spent up to now is 46.0 secs Computing kpt #: 45 total cpu time spent up to now is 46.7 secs Computing kpt #: 46 total cpu time spent up to now is 47.5 secs Computing kpt #: 47 total cpu time spent up to now is 48.3 secs Computing kpt #: 48 total cpu time spent up to now is 49.3 secs Computing kpt #: 49 total cpu time spent up to now is 50.2 secs Computing kpt #: 50 total cpu time spent up to now is 51.0 secs Computing kpt #: 51 total cpu time spent up to now is 51.9 secs Computing kpt #: 52 total cpu time spent up to now is 52.7 secs Computing kpt #: 53 total cpu time spent up to now is 53.4 secs Computing kpt #: 54 total cpu time spent up to now is 54.3 secs Computing kpt #: 55 total cpu time spent up to now is 55.1 secs Computing kpt #: 56 total cpu time spent up to now is 56.1 secs Computing kpt #: 57 total cpu time spent up to now is 57.0 secs Computing kpt #: 58 total cpu time spent up to now is 57.9 secs Computing kpt #: 59 total cpu time spent up to now is 58.9 secs Computing kpt #: 60 total cpu time spent up to now is 59.7 secs Computing kpt #: 61 total cpu time spent up to now is 60.6 secs Computing kpt #: 62 total cpu time spent up to now is 61.6 secs Computing kpt #: 63 total cpu time spent up to now is 62.5 secs Computing kpt #: 64 total cpu time spent up to now is 63.6 secs Computing kpt #: 65 total cpu time spent up to now is 64.7 secs Computing kpt #: 66 total cpu time spent up to now is 65.7 secs Computing kpt #: 67 total cpu time spent up to now is 66.7 secs Computing kpt #: 68 total cpu time spent up to now is 67.8 secs Computing kpt #: 69 total cpu time spent up to now is 68.9 secs Computing kpt #: 70 total cpu time spent up to now is 69.9 secs Computing kpt #: 71 total cpu time spent up to now is 71.0 secs Computing kpt #: 72 total cpu time spent up to now is 72.2 secs Computing kpt #: 73 total cpu time spent up to now is 73.3 secs Computing kpt #: 74 total cpu time spent up to now is 74.8 secs Computing kpt #: 75 total cpu time spent up to now is 76.3 secs Computing kpt #: 76 total cpu time spent up to now is 77.6 secs Computing kpt #: 77 total cpu time spent up to now is 79.0 secs Computing kpt #: 78 total cpu time spent up to now is 81.8 secs Computing kpt #: 79 total cpu time spent up to now is 82.8 secs Computing kpt #: 80 total cpu time spent up to now is 83.6 secs Computing kpt #: 81 total cpu time spent up to now is 84.7 secs Computing kpt #: 82 total cpu time spent up to now is 85.7 secs Computing kpt #: 83 total cpu time spent up to now is 86.8 secs Computing kpt #: 84 total cpu time spent up to now is 87.8 secs Computing kpt #: 85 total cpu time spent up to now is 88.9 secs Computing kpt #: 86 total cpu time spent up to now is 90.0 secs Computing kpt #: 87 total cpu time spent up to now is 91.2 secs Computing kpt #: 88 total cpu time spent up to now is 92.1 secs Computing kpt #: 89 total cpu time spent up to now is 93.1 secs Computing kpt #: 90 total cpu time spent up to now is 94.3 secs Computing kpt #: 91 total cpu time spent up to now is 95.9 secs Computing kpt #: 92 total cpu time spent up to now is 97.4 secs Computing kpt #: 93 total cpu time spent up to now is 98.7 secs Computing kpt #: 94 total cpu time spent up to now is 100.1 secs Computing kpt #: 95 total cpu time spent up to now is 101.6 secs Computing kpt #: 96 total cpu time spent up to now is 102.8 secs Computing kpt #: 97 total cpu time spent up to now is 104.0 secs Computing kpt #: 98 total cpu time spent up to now is 105.1 secs Computing kpt #: 99 total cpu time spent up to now is 106.0 secs Computing kpt #: 100 total cpu time spent up to now is 107.1 secs Computing kpt #: 101 total cpu time spent up to now is 108.1 secs Computing kpt #: 102 total cpu time spent up to now is 109.0 secs Computing kpt #: 103 total cpu time spent up to now is 109.9 secs Computing kpt #: 104 total cpu time spent up to now is 110.9 secs Computing kpt #: 105 total cpu time spent up to now is 111.8 secs Computing kpt #: 106 total cpu time spent up to now is 113.1 secs Computing kpt #: 107 total cpu time spent up to now is 114.0 secs Computing kpt #: 108 total cpu time spent up to now is 115.0 secs Computing kpt #: 109 total cpu time spent up to now is 115.9 secs Computing kpt #: 110 total cpu time spent up to now is 117.0 secs Computing kpt #: 111 total cpu time spent up to now is 118.1 secs Computing kpt #: 112 total cpu time spent up to now is 119.1 secs Computing kpt #: 113 total cpu time spent up to now is 119.9 secs Computing kpt #: 114 total cpu time spent up to now is 120.9 secs Computing kpt #: 115 total cpu time spent up to now is 122.0 secs Computing kpt #: 116 total cpu time spent up to now is 123.0 secs Computing kpt #: 117 total cpu time spent up to now is 124.1 secs Computing kpt #: 118 total cpu time spent up to now is 125.2 secs Computing kpt #: 119 total cpu time spent up to now is 126.3 secs Computing kpt #: 120 total cpu time spent up to now is 127.4 secs Computing kpt #: 121 total cpu time spent up to now is 128.8 secs Computing kpt #: 122 total cpu time spent up to now is 130.2 secs Computing kpt #: 123 total cpu time spent up to now is 131.3 secs Computing kpt #: 124 total cpu time spent up to now is 132.5 secs Computing kpt #: 125 total cpu time spent up to now is 133.7 secs Computing kpt #: 126 total cpu time spent up to now is 135.1 secs Computing kpt #: 127 total cpu time spent up to now is 136.3 secs Computing kpt #: 128 total cpu time spent up to now is 137.4 secs Computing kpt #: 129 total cpu time spent up to now is 138.6 secs Computing kpt #: 130 total cpu time spent up to now is 139.7 secs Computing kpt #: 131 total cpu time spent up to now is 140.6 secs Computing kpt #: 132 total cpu time spent up to now is 141.5 secs Computing kpt #: 133 total cpu time spent up to now is 142.4 secs Computing kpt #: 134 total cpu time spent up to now is 143.3 secs Computing kpt #: 135 total cpu time spent up to now is 144.2 secs Computing kpt #: 136 total cpu time spent up to now is 145.0 secs Computing kpt #: 137 total cpu time spent up to now is 146.0 secs Computing kpt #: 138 total cpu time spent up to now is 146.8 secs Computing kpt #: 139 total cpu time spent up to now is 147.7 secs Computing kpt #: 140 total cpu time spent up to now is 148.5 secs Computing kpt #: 141 total cpu time spent up to now is 149.3 secs Computing kpt #: 142 total cpu time spent up to now is 150.3 secs Computing kpt #: 143 total cpu time spent up to now is 151.2 secs Computing kpt #: 144 total cpu time spent up to now is 152.1 secs Computing kpt #: 145 total cpu time spent up to now is 153.1 secs Computing kpt #: 146 total cpu time spent up to now is 154.0 secs Computing kpt #: 147 total cpu time spent up to now is 154.8 secs Computing kpt #: 148 total cpu time spent up to now is 155.6 secs Computing kpt #: 149 total cpu time spent up to now is 156.8 secs Computing kpt #: 150 total cpu time spent up to now is 157.6 secs Computing kpt #: 151 total cpu time spent up to now is 158.5 secs Computing kpt #: 152 total cpu time spent up to now is 160.0 secs Computing kpt #: 153 total cpu time spent up to now is 161.0 secs Computing kpt #: 154 total cpu time spent up to now is 162.1 secs Computing kpt #: 155 total cpu time spent up to now is 163.9 secs Computing kpt #: 156 total cpu time spent up to now is 165.2 secs Computing kpt #: 157 total cpu time spent up to now is 166.3 secs Computing kpt #: 158 total cpu time spent up to now is 167.6 secs Computing kpt #: 159 total cpu time spent up to now is 168.6 secs Computing kpt #: 160 total cpu time spent up to now is 169.7 secs Computing kpt #: 161 total cpu time spent up to now is 170.8 secs Computing kpt #: 162 total cpu time spent up to now is 172.1 secs Computing kpt #: 163 total cpu time spent up to now is 172.9 secs Computing kpt #: 164 total cpu time spent up to now is 174.3 secs Computing kpt #: 165 total cpu time spent up to now is 175.4 secs Computing kpt #: 166 total cpu time spent up to now is 176.5 secs Computing kpt #: 167 total cpu time spent up to now is 177.6 secs Computing kpt #: 168 total cpu time spent up to now is 178.8 secs Computing kpt #: 169 total cpu time spent up to now is 179.8 secs Computing kpt #: 170 total cpu time spent up to now is 180.8 secs Computing kpt #: 171 total cpu time spent up to now is 182.0 secs Computing kpt #: 172 total cpu time spent up to now is 183.1 secs Computing kpt #: 173 total cpu time spent up to now is 184.3 secs Computing kpt #: 174 total cpu time spent up to now is 185.3 secs Computing kpt #: 175 total cpu time spent up to now is 186.2 secs Computing kpt #: 176 total cpu time spent up to now is 187.5 secs Computing kpt #: 177 total cpu time spent up to now is 188.6 secs Computing kpt #: 178 total cpu time spent up to now is 189.6 secs Computing kpt #: 179 total cpu time spent up to now is 190.6 secs Computing kpt #: 180 total cpu time spent up to now is 191.7 secs Computing kpt #: 181 total cpu time spent up to now is 192.7 secs Computing kpt #: 182 total cpu time spent up to now is 193.7 secs Computing kpt #: 183 total cpu time spent up to now is 194.5 secs Computing kpt #: 184 total cpu time spent up to now is 195.3 secs Computing kpt #: 185 total cpu time spent up to now is 196.3 secs Computing kpt #: 186 total cpu time spent up to now is 197.2 secs Computing kpt #: 187 total cpu time spent up to now is 198.1 secs Computing kpt #: 188 total cpu time spent up to now is 198.9 secs Computing kpt #: 189 total cpu time spent up to now is 199.9 secs Computing kpt #: 190 total cpu time spent up to now is 200.8 secs Computing kpt #: 191 total cpu time spent up to now is 201.6 secs Computing kpt #: 192 total cpu time spent up to now is 202.7 secs Computing kpt #: 193 total cpu time spent up to now is 203.6 secs Computing kpt #: 194 total cpu time spent up to now is 204.7 secs Computing kpt #: 195 total cpu time spent up to now is 205.7 secs Computing kpt #: 196 total cpu time spent up to now is 206.8 secs Computing kpt #: 197 total cpu time spent up to now is 207.7 secs Computing kpt #: 198 total cpu time spent up to now is 208.6 secs Computing kpt #: 199 total cpu time spent up to now is 209.6 secs Computing kpt #: 200 total cpu time spent up to now is 210.6 secs Computing kpt #: 201 total cpu time spent up to now is 211.5 secs Computing kpt #: 202 total cpu time spent up to now is 212.5 secs Computing kpt #: 203 total cpu time spent up to now is 213.6 secs Computing kpt #: 204 total cpu time spent up to now is 214.5 secs Computing kpt #: 205 total cpu time spent up to now is 215.6 secs Computing kpt #: 206 total cpu time spent up to now is 216.4 secs Computing kpt #: 207 total cpu time spent up to now is 217.3 secs Computing kpt #: 208 total cpu time spent up to now is 218.2 secs Computing kpt #: 209 total cpu time spent up to now is 219.2 secs Computing kpt #: 210 total cpu time spent up to now is 220.1 secs Computing kpt #: 211 total cpu time spent up to now is 221.0 secs Computing kpt #: 212 total cpu time spent up to now is 222.0 secs Computing kpt #: 213 total cpu time spent up to now is 222.7 secs Computing kpt #: 214 total cpu time spent up to now is 223.6 secs Computing kpt #: 215 total cpu time spent up to now is 224.5 secs Computing kpt #: 216 total cpu time spent up to now is 225.5 secs Computing kpt #: 217 total cpu time spent up to now is 226.7 secs Computing kpt #: 218 total cpu time spent up to now is 227.8 secs Computing kpt #: 219 total cpu time spent up to now is 228.7 secs Computing kpt #: 220 total cpu time spent up to now is 229.7 secs Computing kpt #: 221 total cpu time spent up to now is 230.7 secs Computing kpt #: 222 total cpu time spent up to now is 231.6 secs Computing kpt #: 223 total cpu time spent up to now is 232.6 secs Computing kpt #: 224 total cpu time spent up to now is 233.6 secs Computing kpt #: 225 total cpu time spent up to now is 234.5 secs Computing kpt #: 226 total cpu time spent up to now is 235.5 secs Computing kpt #: 227 total cpu time spent up to now is 236.5 secs Computing kpt #: 228 total cpu time spent up to now is 237.5 secs Computing kpt #: 229 total cpu time spent up to now is 238.4 secs Computing kpt #: 230 total cpu time spent up to now is 239.5 secs Computing kpt #: 231 total cpu time spent up to now is 240.5 secs Computing kpt #: 232 total cpu time spent up to now is 241.7 secs Computing kpt #: 233 total cpu time spent up to now is 242.6 secs Computing kpt #: 234 total cpu time spent up to now is 244.1 secs Computing kpt #: 235 total cpu time spent up to now is 245.1 secs Computing kpt #: 236 total cpu time spent up to now is 246.3 secs Computing kpt #: 237 total cpu time spent up to now is 247.4 secs Computing kpt #: 238 total cpu time spent up to now is 248.2 secs Computing kpt #: 239 total cpu time spent up to now is 249.3 secs Computing kpt #: 240 total cpu time spent up to now is 250.3 secs Computing kpt #: 241 total cpu time spent up to now is 251.2 secs Computing kpt #: 242 total cpu time spent up to now is 252.5 secs Computing kpt #: 243 total cpu time spent up to now is 253.5 secs Computing kpt #: 244 total cpu time spent up to now is 254.6 secs Computing kpt #: 245 total cpu time spent up to now is 255.8 secs Computing kpt #: 246 total cpu time spent up to now is 256.9 secs Computing kpt #: 247 total cpu time spent up to now is 258.0 secs Computing kpt #: 248 total cpu time spent up to now is 259.0 secs Computing kpt #: 249 total cpu time spent up to now is 259.8 secs Computing kpt #: 250 total cpu time spent up to now is 260.9 secs Computing kpt #: 251 total cpu time spent up to now is 262.0 secs Computing kpt #: 252 total cpu time spent up to now is 262.8 secs Computing kpt #: 253 total cpu time spent up to now is 263.7 secs Computing kpt #: 254 total cpu time spent up to now is 264.8 secs Computing kpt #: 255 total cpu time spent up to now is 265.8 secs Computing kpt #: 256 total cpu time spent up to now is 266.6 secs Computing kpt #: 257 total cpu time spent up to now is 267.7 secs Computing kpt #: 258 total cpu time spent up to now is 268.7 secs Computing kpt #: 259 total cpu time spent up to now is 269.8 secs Computing kpt #: 260 total cpu time spent up to now is 270.6 secs Computing kpt #: 261 total cpu time spent up to now is 271.8 secs Computing kpt #: 262 total cpu time spent up to now is 272.9 secs Computing kpt #: 263 total cpu time spent up to now is 274.2 secs Computing kpt #: 264 total cpu time spent up to now is 275.4 secs Computing kpt #: 265 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 278.4 secs Computing kpt #: 266 total cpu time spent up to now is 279.3 secs Computing kpt #: 267 total cpu time spent up to now is 280.2 secs Computing kpt #: 268 total cpu time spent up to now is 281.4 secs Computing kpt #: 269 total cpu time spent up to now is 282.4 secs Computing kpt #: 270 total cpu time spent up to now is 283.5 secs Computing kpt #: 271 total cpu time spent up to now is 284.6 secs Computing kpt #: 272 total cpu time spent up to now is 285.3 secs Computing kpt #: 273 total cpu time spent up to now is 286.0 secs Computing kpt #: 274 total cpu time spent up to now is 287.0 secs Computing kpt #: 275 total cpu time spent up to now is 287.8 secs Computing kpt #: 276 total cpu time spent up to now is 288.7 secs Computing kpt #: 277 total cpu time spent up to now is 289.6 secs Computing kpt #: 278 total cpu time spent up to now is 290.5 secs Computing kpt #: 279 total cpu time spent up to now is 291.4 secs Computing kpt #: 280 total cpu time spent up to now is 292.2 secs Computing kpt #: 281 total cpu time spent up to now is 292.9 secs Computing kpt #: 282 total cpu time spent up to now is 293.9 secs Computing kpt #: 283 total cpu time spent up to now is 295.0 secs Computing kpt #: 284 total cpu time spent up to now is 296.0 secs Computing kpt #: 285 total cpu time spent up to now is 296.8 secs Computing kpt #: 286 total cpu time spent up to now is 297.6 secs Computing kpt #: 287 total cpu time spent up to now is 298.5 secs Computing kpt #: 288 total cpu time spent up to now is 299.5 secs Computing kpt #: 289 total cpu time spent up to now is 300.5 secs Computing kpt #: 290 total cpu time spent up to now is 301.5 secs Computing kpt #: 291 total cpu time spent up to now is 302.5 secs Computing kpt #: 292 total cpu time spent up to now is 303.4 secs Computing kpt #: 293 total cpu time spent up to now is 305.1 secs Computing kpt #: 294 total cpu time spent up to now is 306.2 secs Computing kpt #: 295 total cpu time spent up to now is 307.4 secs Computing kpt #: 296 total cpu time spent up to now is 308.6 secs Computing kpt #: 297 total cpu time spent up to now is 309.7 secs Computing kpt #: 298 total cpu time spent up to now is 311.0 secs Computing kpt #: 299 total cpu time spent up to now is 312.2 secs Computing kpt #: 300 total cpu time spent up to now is 313.4 secs Computing kpt #: 301 total cpu time spent up to now is 314.3 secs Computing kpt #: 302 total cpu time spent up to now is 315.3 secs Computing kpt #: 303 total cpu time spent up to now is 316.3 secs Computing kpt #: 304 total cpu time spent up to now is 317.6 secs Computing kpt #: 305 total cpu time spent up to now is 318.7 secs Computing kpt #: 306 total cpu time spent up to now is 319.7 secs Computing kpt #: 307 total cpu time spent up to now is 320.6 secs Computing kpt #: 308 total cpu time spent up to now is 321.8 secs Computing kpt #: 309 total cpu time spent up to now is 322.9 secs Computing kpt #: 310 total cpu time spent up to now is 324.0 secs Computing kpt #: 311 total cpu time spent up to now is 325.1 secs Computing kpt #: 312 total cpu time spent up to now is 326.3 secs ethr = 2.78E-08, avg # of iterations = 24.1 total cpu time spent up to now is 326.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5723 PWs) bands (ev): -29.4790 -29.4790 -29.4753 -29.4753 -12.2877 -12.2877 -12.2612 -12.2612 -11.1678 -11.1678 -11.1334 -11.1334 -11.1188 -11.1188 -11.1162 -11.1162 -7.5828 -7.5828 -7.4007 -7.4007 1.2597 1.2597 2.4204 2.4204 2.5680 2.5680 3.2338 3.2338 3.3664 3.3664 3.5227 3.5227 3.9676 3.9676 4.7350 4.7350 7.3568 7.3568 8.8068 8.8068 8.8241 8.8241 9.3990 9.3990 k = 0.0000 0.0139-0.0000 ( 5739 PWs) bands (ev): -29.4789 -29.4789 -29.4753 -29.4753 -12.2878 -12.2878 -12.2613 -12.2613 -11.1679 -11.1679 -11.1338 -11.1338 -11.1187 -11.1187 -11.1164 -11.1164 -7.5820 -7.5820 -7.4001 -7.4001 1.2605 1.2605 2.4183 2.4183 2.5654 2.5654 3.2284 3.2284 3.3680 3.3680 3.5166 3.5166 3.9732 3.9732 4.7361 4.7361 7.3609 7.3609 8.7969 8.7969 8.8258 8.8258 9.4016 9.4016 k = 0.0000 0.0278-0.0000 ( 5739 PWs) bands (ev): -29.4789 -29.4789 -29.4753 -29.4753 -12.2880 -12.2880 -12.2615 -12.2615 -11.1681 -11.1681 -11.1349 -11.1349 -11.1184 -11.1184 -11.1169 -11.1169 -7.5797 -7.5797 -7.3982 -7.3982 1.2626 1.2626 2.4121 2.4121 2.5578 2.5578 3.2136 3.2136 3.3714 3.3714 3.4996 3.4996 3.9890 3.9890 4.7395 4.7395 7.3734 7.3734 8.7621 8.7621 8.8403 8.8403 9.3945 9.3945 k = 0.0000 0.0417-0.0000 ( 5749 PWs) bands (ev): -29.4789 -29.4789 -29.4753 -29.4753 -12.2885 -12.2885 -12.2619 -12.2619 -11.1684 -11.1684 -11.1366 -11.1366 -11.1190 -11.1190 -11.1166 -11.1166 -7.5758 -7.5758 -7.3952 -7.3952 1.2661 1.2661 2.4017 2.4017 2.5450 2.5450 3.1919 3.1919 3.3729 3.3729 3.4758 3.4758 4.0127 4.0127 4.7451 4.7451 7.3940 7.3940 8.7114 8.7114 8.8666 8.8666 9.3711 9.3711 k = 0.0000 0.0556-0.0000 ( 5749 PWs) bands (ev): -29.4788 -29.4788 -29.4752 -29.4752 -12.2891 -12.2891 -12.2624 -12.2624 -11.1690 -11.1690 -11.1385 -11.1385 -11.1207 -11.1207 -11.1158 -11.1158 -7.5704 -7.5704 -7.3909 -7.3909 1.2710 1.2710 2.3871 2.3871 2.5267 2.5267 3.1656 3.1656 3.3671 3.3671 3.4517 3.4517 4.0416 4.0416 4.7524 4.7524 7.4224 7.4224 8.6534 8.6534 8.9031 8.9031 9.3396 9.3396 k = 0.0000 0.0694-0.0000 ( 5747 PWs) bands (ev): -29.4787 -29.4787 -29.4752 -29.4752 -12.2899 -12.2899 -12.2630 -12.2630 -11.1699 -11.1699 -11.1405 -11.1405 -11.1229 -11.1229 -11.1148 -11.1148 -7.5636 -7.5636 -7.3855 -7.3855 1.2772 1.2772 2.3684 2.3684 2.5030 2.5030 3.1367 3.1367 3.3476 3.3476 3.4354 3.4354 4.0737 4.0737 4.7612 4.7612 7.4581 7.4581 8.5933 8.5933 8.9490 8.9490 9.3054 9.3054 k = 0.0000 0.0833-0.0000 ( 5739 PWs) bands (ev): -29.4786 -29.4786 -29.4751 -29.4751 -12.2908 -12.2908 -12.2638 -12.2638 -11.1713 -11.1713 -11.1424 -11.1424 -11.1257 -11.1257 -11.1138 -11.1138 -7.5553 -7.5553 -7.3790 -7.3790 1.2846 1.2846 2.3457 2.3457 2.4735 2.4735 3.1064 3.1064 3.3146 3.3146 3.4278 3.4278 4.1075 4.1075 4.7710 4.7710 7.5008 7.5008 8.5343 8.5343 9.0030 9.0030 9.2713 9.2713 k = 0.0000 0.0972-0.0000 ( 5736 PWs) bands (ev): -29.4785 -29.4785 -29.4750 -29.4750 -12.2918 -12.2918 -12.2648 -12.2648 -11.1733 -11.1733 -11.1440 -11.1440 -11.1289 -11.1289 -11.1129 -11.1129 -7.5457 -7.5457 -7.3714 -7.3714 1.2931 1.2931 2.3192 2.3192 2.4384 2.4384 3.0759 3.0759 3.2745 3.2745 3.4239 3.4239 4.1421 4.1421 4.7816 4.7816 7.5497 7.5497 8.4785 8.4785 9.0638 9.0638 9.2389 9.2389 k = 0.0000 0.1111-0.0000 ( 5744 PWs) bands (ev): -29.4783 -29.4783 -29.4749 -29.4749 -12.2930 -12.2930 -12.2659 -12.2659 -11.1759 -11.1759 -11.1452 -11.1452 -11.1326 -11.1326 -11.1120 -11.1120 -7.5348 -7.5348 -7.3628 -7.3628 1.3026 1.3026 2.2890 2.2890 2.3976 2.3976 3.0458 3.0458 3.2316 3.2316 3.4204 3.4204 4.1768 4.1768 4.7924 4.7924 7.6043 7.6043 8.4274 8.4274 9.1291 9.1291 9.2091 9.2091 k = 0.0000 0.1250-0.0000 ( 5736 PWs) bands (ev): -29.4782 -29.4782 -29.4748 -29.4748 -12.2944 -12.2944 -12.2671 -12.2671 -11.1793 -11.1793 -11.1458 -11.1458 -11.1366 -11.1366 -11.1111 -11.1111 -7.5227 -7.5227 -7.3534 -7.3534 1.3128 1.3128 2.2556 2.2556 2.3516 2.3516 3.0168 3.0168 3.1878 3.1878 3.4161 3.4161 4.2113 4.2113 4.8032 4.8032 7.6640 7.6640 8.3818 8.3818 9.1805 9.1805 9.1979 9.1979 k = 0.0000 0.1389-0.0000 ( 5730 PWs) bands (ev): -29.4780 -29.4780 -29.4747 -29.4747 -12.2958 -12.2958 -12.2685 -12.2685 -11.1832 -11.1832 -11.1460 -11.1460 -11.1411 -11.1411 -11.1103 -11.1103 -7.5094 -7.5094 -7.3430 -7.3430 1.3235 1.3235 2.2194 2.2194 2.3007 2.3007 2.9892 2.9892 3.1443 3.1443 3.4104 3.4104 4.2454 4.2454 4.8136 4.8136 7.7279 7.7279 8.3426 8.3426 9.1583 9.1583 9.2608 9.2608 k = 0.0000 0.1528-0.0000 ( 5734 PWs) bands (ev): -29.4778 -29.4778 -29.4746 -29.4746 -12.2973 -12.2973 -12.2700 -12.2700 -11.1877 -11.1877 -11.1462 -11.1462 -11.1455 -11.1455 -11.1095 -11.1095 -7.4951 -7.4951 -7.3320 -7.3320 1.3345 1.3345 2.1809 2.1809 2.2457 2.2457 2.9631 2.9631 3.1017 3.1017 3.4032 3.4032 4.2789 4.2789 4.8235 4.8235 7.7956 7.7956 8.3103 8.3103 9.1387 9.1387 9.3154 9.3154 k = 0.0000 0.1667-0.0000 ( 5738 PWs) bands (ev): -29.4776 -29.4776 -29.4744 -29.4744 -12.2990 -12.2990 -12.2717 -12.2717 -11.1925 -11.1925 -11.1510 -11.1510 -11.1453 -11.1453 -11.1088 -11.1088 -7.4798 -7.4798 -7.3203 -7.3203 1.3452 1.3452 2.1408 2.1408 2.1875 2.1875 2.9386 2.9386 3.0603 3.0603 3.3943 3.3943 4.3119 4.3119 4.8326 4.8326 7.8661 7.8661 8.2851 8.2851 9.1227 9.1227 9.3535 9.3535 k = 0.0000 0.1806-0.0000 ( 5730 PWs) bands (ev): -29.4774 -29.4774 -29.4743 -29.4743 -12.3007 -12.3007 -12.2735 -12.2735 -11.1977 -11.1977 -11.1563 -11.1563 -11.1445 -11.1445 -11.1082 -11.1082 -7.4637 -7.4637 -7.3080 -7.3080 1.3552 1.3552 2.0988 2.0988 2.1279 2.1279 2.9157 2.9157 3.0202 3.0202 3.3837 3.3837 4.3442 4.3442 4.8408 4.8408 7.9388 7.9388 8.2675 8.2675 9.1106 9.1106 9.3701 9.3701 k = 0.0000 0.1944-0.0000 ( 5742 PWs) bands (ev): -29.4771 -29.4771 -29.4742 -29.4742 -12.3024 -12.3024 -12.2755 -12.2755 -11.2030 -11.2030 -11.1619 -11.1619 -11.1434 -11.1434 -11.1076 -11.1076 -7.4468 -7.4468 -7.2953 -7.2953 1.3639 1.3639 2.0500 2.0500 2.0738 2.0738 2.8941 2.8941 2.9816 2.9816 3.3714 3.3714 4.3760 4.3760 4.8481 4.8481 8.0129 8.0129 8.2575 8.2575 9.1024 9.1024 9.3651 9.3651 k = 0.0000 0.2083-0.0000 ( 5756 PWs) bands (ev): -29.4769 -29.4769 -29.4740 -29.4740 -12.3042 -12.3042 -12.2775 -12.2775 -11.2084 -11.2084 -11.1677 -11.1677 -11.1423 -11.1423 -11.1070 -11.1070 -7.4293 -7.4293 -7.2823 -7.2823 1.3704 1.3704 1.9894 1.9894 2.0322 2.0322 2.8738 2.8738 2.9443 2.9443 3.3574 3.3574 4.4072 4.4072 4.8544 4.8544 8.0876 8.0876 8.2553 8.2553 9.0982 9.0982 9.3430 9.3430 k = 0.0000 0.2222-0.0000 ( 5754 PWs) bands (ev): -29.4767 -29.4767 -29.4739 -29.4739 -12.3060 -12.3060 -12.2797 -12.2797 -11.2139 -11.2139 -11.1736 -11.1736 -11.1409 -11.1409 -11.1065 -11.1065 -7.4113 -7.4113 -7.2690 -7.2690 1.3738 1.3738 1.9244 1.9244 1.9979 1.9979 2.8548 2.8548 2.9085 2.9085 3.3415 3.3415 4.4378 4.4378 4.8599 4.8599 8.1619 8.1619 8.2608 8.2608 9.0978 9.0978 9.3088 9.3088 k = 0.0000 0.2361-0.0000 ( 5754 PWs) bands (ev): -29.4764 -29.4764 -29.4737 -29.4737 -12.3079 -12.3079 -12.2820 -12.2820 -11.2193 -11.2193 -11.1796 -11.1796 -11.1395 -11.1395 -11.1060 -11.1060 -7.3929 -7.3929 -7.2557 -7.2557 1.3733 1.3733 1.8583 1.8583 1.9694 1.9694 2.8369 2.8369 2.8739 2.8739 3.3239 3.3239 4.4679 4.4679 4.8646 4.8646 8.2342 8.2342 8.2746 8.2746 9.1014 9.1014 9.2667 9.2667 k = 0.0000 0.2500-0.0000 ( 5750 PWs) bands (ev): -29.4762 -29.4762 -29.4736 -29.4736 -12.3097 -12.3097 -12.2844 -12.2844 -11.2246 -11.2246 -11.1857 -11.1857 -11.1380 -11.1380 -11.1056 -11.1056 -7.3743 -7.3743 -7.2423 -7.2423 1.3678 1.3678 1.7923 1.7923 1.9476 1.9476 2.8198 2.8198 2.8408 2.8408 3.3044 3.3044 4.4973 4.4973 4.8685 4.8685 8.2894 8.2894 8.3102 8.3102 9.1088 9.1088 9.2197 9.2197 k = 0.0000 0.2639-0.0000 ( 5740 PWs) bands (ev): -29.4759 -29.4759 -29.4735 -29.4735 -12.3115 -12.3115 -12.2868 -12.2868 -11.2298 -11.2298 -11.1918 -11.1918 -11.1364 -11.1364 -11.1052 -11.1052 -7.3555 -7.3555 -7.2291 -7.2291 1.3571 1.3571 1.7271 1.7271 1.9333 1.9333 2.8018 2.8018 2.8109 2.8109 3.2832 3.2832 4.5262 4.5262 4.8719 4.8719 8.3187 8.3187 8.3750 8.3750 9.1200 9.1200 9.1699 9.1699 k = 0.0000 0.2778-0.0000 ( 5736 PWs) bands (ev): -29.4756 -29.4756 -29.4733 -29.4733 -12.3132 -12.3132 -12.2893 -12.2893 -11.2348 -11.2348 -11.1979 -11.1979 -11.1347 -11.1347 -11.1049 -11.1049 -7.3366 -7.3366 -7.2161 -7.2161 1.3409 1.3409 1.6632 1.6632 1.9267 1.9267 2.7746 2.7746 2.7923 2.7923 3.2602 3.2602 4.5544 4.5544 4.8748 4.8748 8.3523 8.3523 8.4367 8.4367 9.1187 9.1187 9.1352 9.1352 k = 0.0000 0.2917-0.0000 ( 5736 PWs) bands (ev): -29.4754 -29.4754 -29.4732 -29.4732 -12.3149 -12.3149 -12.2919 -12.2919 -11.2396 -11.2396 -11.2039 -11.2039 -11.1330 -11.1330 -11.1046 -11.1046 -7.3179 -7.3179 -7.2034 -7.2034 1.3200 1.3200 1.6009 1.6009 1.9276 1.9276 2.7447 2.7447 2.7787 2.7787 3.2354 3.2354 4.5819 4.5819 4.8774 4.8774 8.3915 8.3915 8.4920 8.4920 9.0681 9.0681 9.1536 9.1536 k = 0.0000 0.3056-0.0000 ( 5736 PWs) bands (ev): -29.4751 -29.4751 -29.4731 -29.4731 -12.3165 -12.3165 -12.2944 -12.2944 -11.2440 -11.2440 -11.2098 -11.2098 -11.1313 -11.1313 -11.1044 -11.1044 -7.2994 -7.2994 -7.1913 -7.1913 1.2952 1.2952 1.5407 1.5407 1.9354 1.9354 2.7152 2.7152 2.7668 2.7668 3.2091 3.2091 4.6087 4.6087 4.8797 4.8797 8.4354 8.4354 8.5390 8.5390 9.0188 9.0188 9.1758 9.1758 k = 0.0000 0.3194-0.0000 ( 5728 PWs) bands (ev): -29.4749 -29.4749 -29.4729 -29.4729 -12.3180 -12.3180 -12.2970 -12.2970 -11.2482 -11.2482 -11.2156 -11.2156 -11.1296 -11.1296 -11.1043 -11.1043 -7.2812 -7.2812 -7.1797 -7.1797 1.2679 1.2679 1.4829 1.4829 1.9491 1.9491 2.6863 2.6863 2.7564 2.7564 3.1812 3.1812 4.6347 4.6347 4.8817 4.8817 8.4830 8.4830 8.5764 8.5764 8.9723 8.9723 9.2014 9.2014 k = 0.0000 0.3333-0.0000 ( 5726 PWs) bands (ev): -29.4746 -29.4746 -29.4728 -29.4728 -12.3194 -12.3194 -12.2996 -12.2996 -11.2520 -11.2520 -11.2212 -11.2212 -11.1279 -11.1279 -11.1042 -11.1042 -7.2636 -7.2636 -7.1688 -7.1688 1.2391 1.2391 1.4279 1.4279 1.9676 1.9676 2.6581 2.6581 2.7474 2.7474 3.1520 3.1520 4.6597 4.6597 4.8835 4.8835 8.5323 8.5323 8.6031 8.6031 8.9304 8.9304 9.2304 9.2304 k = 0.0000 0.3472-0.0000 ( 5722 PWs) bands (ev): -29.4744 -29.4744 -29.4727 -29.4727 -12.3207 -12.3207 -12.3021 -12.3021 -11.2555 -11.2555 -11.2266 -11.2266 -11.1262 -11.1262 -11.1043 -11.1043 -7.2464 -7.2464 -7.1587 -7.1587 1.2102 1.2102 1.3759 1.3759 1.9901 1.9901 2.6304 2.6304 2.7402 2.7402 3.1217 3.1217 4.6839 4.6839 4.8852 4.8852 8.5801 8.5801 8.6192 8.6192 8.8965 8.8965 9.2626 9.2626 k = 0.0000 0.3611-0.0000 ( 5724 PWs) bands (ev): -29.4742 -29.4742 -29.4726 -29.4726 -12.3218 -12.3218 -12.3046 -12.3046 -11.2586 -11.2586 -11.2318 -11.2318 -11.1245 -11.1245 -11.1044 -11.1044 -7.2300 -7.2300 -7.1495 -7.1495 1.1818 1.1818 1.3270 1.3270 2.0157 2.0157 2.6033 2.6033 2.7346 2.7346 3.0905 3.0905 4.7069 4.7069 4.8866 4.8866 8.6195 8.6195 8.6261 8.6261 8.8763 8.8763 9.2978 9.2978 k = 0.0000 0.3750-0.0000 ( 5724 PWs) bands (ev): -29.4740 -29.4740 -29.4726 -29.4726 -12.3228 -12.3228 -12.3070 -12.3070 -11.2613 -11.2613 -11.2367 -11.2367 -11.1228 -11.1228 -11.1046 -11.1046 -7.2144 -7.2144 -7.1414 -7.1414 1.1550 1.1550 1.2817 1.2817 2.0438 2.0438 2.5765 2.5765 2.7309 2.7309 3.0587 3.0587 4.7289 4.7289 4.8876 4.8876 8.6235 8.6235 8.6435 8.6435 8.8787 8.8787 9.3360 9.3360 k = 0.0000 0.3889-0.0000 ( 5730 PWs) bands (ev): -29.4737 -29.4737 -29.4725 -29.4725 -12.3236 -12.3236 -12.3094 -12.3094 -11.2636 -11.2636 -11.2414 -11.2414 -11.1212 -11.1212 -11.1048 -11.1048 -7.1996 -7.1996 -7.1342 -7.1342 1.1302 1.1302 1.2400 1.2400 2.0737 2.0737 2.5501 2.5501 2.7292 2.7292 3.0266 3.0266 4.7495 4.7495 4.8883 4.8883 8.6159 8.6159 8.6452 8.6452 8.9074 8.9074 9.3769 9.3769 k = 0.0000 0.4028-0.0000 ( 5726 PWs) bands (ev): -29.4735 -29.4735 -29.4725 -29.4725 -12.3242 -12.3242 -12.3116 -12.3116 -11.2654 -11.2654 -11.2457 -11.2457 -11.1196 -11.1196 -11.1052 -11.1052 -7.1859 -7.1859 -7.1283 -7.1283 1.1081 1.1081 1.2021 1.2021 2.1049 2.1049 2.5238 2.5238 2.7296 2.7296 2.9946 2.9946 4.7689 4.7689 4.8884 4.8884 8.6044 8.6044 8.6326 8.6326 8.9549 8.9549 9.4204 9.4204 k = 0.0000 0.4167-0.0000 ( 5720 PWs) bands (ev): -29.4734 -29.4734 -29.4724 -29.4724 -12.3246 -12.3246 -12.3137 -12.3137 -11.2668 -11.2668 -11.2497 -11.2497 -11.1180 -11.1180 -11.1056 -11.1056 -7.1732 -7.1732 -7.1235 -7.1235 1.0890 1.0890 1.1682 1.1682 2.1370 2.1370 2.4974 2.4974 2.7323 2.7323 2.9630 2.9630 4.7870 4.7870 4.8879 4.8879 8.5910 8.5910 8.6143 8.6143 9.0116 9.0116 9.4383 9.4383 k = 0.0000 0.4306-0.0000 ( 5724 PWs) bands (ev): -29.4732 -29.4732 -29.4724 -29.4724 -12.3248 -12.3248 -12.3156 -12.3156 -11.2678 -11.2678 -11.2534 -11.2534 -11.1166 -11.1166 -11.1062 -11.1062 -7.1617 -7.1617 -7.1201 -7.1201 1.0732 1.0732 1.1383 1.1383 2.1696 2.1696 2.4709 2.4709 2.7374 2.7374 2.9321 2.9321 4.8035 4.8035 4.8866 4.8866 8.5774 8.5774 8.5952 8.5952 9.0718 9.0718 9.4368 9.4368 k = 0.0000 0.4444-0.0000 ( 5720 PWs) bands (ev): -29.4730 -29.4730 -29.4724 -29.4724 -12.3249 -12.3249 -12.3174 -12.3174 -11.2683 -11.2683 -11.2567 -11.2567 -11.1152 -11.1152 -11.1068 -11.1068 -7.1514 -7.1514 -7.1180 -7.1180 1.0611 1.0611 1.1126 1.1126 2.2024 2.2024 2.4440 2.4440 2.7451 2.7451 2.9025 2.9025 4.8185 4.8185 4.8843 4.8843 8.5648 8.5648 8.5778 8.5778 9.1319 9.1319 9.4299 9.4299 k = 0.0000 0.4583-0.0000 ( 5728 PWs) bands (ev): -29.4729 -29.4729 -29.4724 -29.4724 -12.3247 -12.3247 -12.3191 -12.3191 -11.2683 -11.2683 -11.2596 -11.2596 -11.1138 -11.1138 -11.1076 -11.1076 -7.1423 -7.1423 -7.1172 -7.1172 1.0529 1.0529 1.0912 1.0912 2.2350 2.2350 2.4165 2.4165 2.7554 2.7554 2.8745 2.8745 4.8320 4.8320 4.8809 4.8809 8.5544 8.5544 8.5634 8.5634 9.1896 9.1896 9.4167 9.4167 k = 0.0000 0.4722-0.0000 ( 5734 PWs) bands (ev): -29.4728 -29.4728 -29.4725 -29.4725 -12.3243 -12.3243 -12.3205 -12.3205 -11.2680 -11.2680 -11.2621 -11.2621 -11.1126 -11.1126 -11.1084 -11.1084 -7.1347 -7.1347 -7.1179 -7.1179 1.0487 1.0487 1.0741 1.0741 2.2672 2.2672 2.3883 2.3883 2.7686 2.7686 2.8484 2.8484 4.8439 4.8439 4.8763 4.8763 8.5467 8.5467 8.5524 8.5524 9.2433 9.2433 9.3965 9.3965 k = 0.0000 0.4861-0.0000 ( 5730 PWs) bands (ev): -29.4727 -29.4727 -29.4725 -29.4725 -12.3236 -12.3236 -12.3217 -12.3217 -11.2671 -11.2671 -11.2642 -11.2642 -11.1114 -11.1114 -11.1093 -11.1093 -7.1283 -7.1283 -7.1199 -7.1199 1.0486 1.0486 1.0613 1.0613 2.2987 2.2987 2.3593 2.3593 2.7845 2.7845 2.8245 2.8245 4.8543 4.8543 4.8704 4.8704 8.5424 8.5424 8.5451 8.5451 9.2917 9.2917 9.3688 9.3688 k = 0.0000 0.5000-0.0000 ( 5738 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3228 -12.3228 -12.3228 -12.3228 -11.2659 -11.2659 -11.2659 -11.2659 -11.1103 -11.1103 -11.1103 -11.1103 -7.1234 -7.1234 -7.1234 -7.1234 1.0528 1.0528 1.0528 1.0528 2.3294 2.3294 2.3294 2.3294 2.8032 2.8032 2.8032 2.8032 4.8631 4.8631 4.8631 4.8631 8.5418 8.5418 8.5418 8.5418 9.3338 9.3338 9.3338 9.3338 k = 0.0000 0.5000-0.0000 ( 5738 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3228 -12.3228 -12.3228 -12.3228 -11.2659 -11.2659 -11.2659 -11.2659 -11.1103 -11.1103 -11.1103 -11.1103 -7.1234 -7.1234 -7.1234 -7.1234 1.0528 1.0528 1.0528 1.0528 2.3294 2.3294 2.3294 2.3294 2.8032 2.8032 2.8032 2.8032 4.8631 4.8631 4.8631 4.8631 8.5418 8.5418 8.5418 8.5418 9.3338 9.3338 9.3338 9.3338 k = 0.0139 0.5000-0.0000 ( 5730 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3230 -12.3230 -12.3226 -12.3226 -11.2661 -11.2661 -11.2655 -11.2655 -11.1109 -11.1109 -11.1099 -11.1099 -7.1237 -7.1237 -7.1237 -7.1237 1.0529 1.0529 1.0549 1.0549 2.3187 2.3187 2.3403 2.3403 2.7903 2.7903 2.8145 2.8145 4.8582 4.8582 4.8654 4.8654 8.5417 8.5417 8.5424 8.5424 9.3345 9.3345 9.3362 9.3362 k = 0.0278 0.5000-0.0000 ( 5732 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3231 -12.3231 -12.3224 -12.3224 -11.2661 -11.2661 -11.2649 -11.2649 -11.1118 -11.1118 -11.1097 -11.1097 -7.1245 -7.1245 -7.1245 -7.1245 1.0553 1.0553 1.0592 1.0592 2.3080 2.3080 2.3511 2.3511 2.7760 2.7760 2.8242 2.8242 4.8507 4.8507 4.8650 4.8650 8.5421 8.5421 8.5435 8.5435 9.3383 9.3383 9.3416 9.3416 k = 0.0417 0.5000-0.0000 ( 5732 PWs) bands (ev): -29.4725 -29.4725 -29.4725 -29.4725 -12.3232 -12.3232 -12.3222 -12.3222 -11.2660 -11.2660 -11.2641 -11.2641 -11.1130 -11.1130 -11.1098 -11.1098 -7.1259 -7.1259 -7.1259 -7.1259 1.0597 1.0597 1.0657 1.0657 2.2975 2.2975 2.3618 2.3618 2.7603 2.7603 2.8325 2.8325 4.8407 4.8407 4.8618 4.8618 8.5432 8.5432 8.5451 8.5451 9.3456 9.3456 9.3505 9.3505 k = 0.0556 0.5000-0.0000 ( 5732 PWs) bands (ev): -29.4725 -29.4725 -29.4725 -29.4725 -12.3233 -12.3233 -12.3219 -12.3219 -11.2657 -11.2657 -11.2632 -11.2632 -11.1143 -11.1143 -11.1101 -11.1101 -7.1278 -7.1278 -7.1278 -7.1278 1.0663 1.0663 1.0744 1.0744 2.2871 2.2871 2.3724 2.3724 2.7434 2.7434 2.8394 2.8394 4.8282 4.8282 4.8559 4.8559 8.5449 8.5449 8.5474 8.5474 9.3568 9.3568 9.3630 9.3630 k = 0.0694 0.5000-0.0000 ( 5736 PWs) bands (ev): -29.4724 -29.4724 -29.4724 -29.4724 -12.3234 -12.3234 -12.3217 -12.3217 -11.2652 -11.2652 -11.2622 -11.2622 -11.1158 -11.1158 -11.1107 -11.1107 -7.1302 -7.1302 -7.1302 -7.1302 1.0749 1.0749 1.0852 1.0852 2.2769 2.2769 2.3826 2.3826 2.7255 2.7255 2.8449 2.8449 4.8134 4.8134 4.8472 4.8472 8.5476 8.5476 8.5504 8.5504 9.3721 9.3721 9.3794 9.3794 k = 0.0833 0.5000-0.0000 ( 5728 PWs) bands (ev): -29.4723 -29.4723 -29.4723 -29.4723 -12.3235 -12.3235 -12.3214 -12.3214 -11.2645 -11.2645 -11.2609 -11.2609 -11.1175 -11.1175 -11.1115 -11.1115 -7.1331 -7.1331 -7.1331 -7.1331 1.0853 1.0853 1.0980 1.0980 2.2670 2.2670 2.3923 2.3923 2.7072 2.7072 2.8494 2.8494 4.7964 4.7964 4.8357 4.8357 8.5513 8.5513 8.5543 8.5543 9.3920 9.3920 9.4000 9.4000 k = 0.0972 0.5000-0.0000 ( 5736 PWs) bands (ev): -29.4722 -29.4722 -29.4722 -29.4722 -12.3235 -12.3235 -12.3212 -12.3212 -11.2637 -11.2637 -11.2596 -11.2596 -11.1194 -11.1194 -11.1124 -11.1124 -7.1365 -7.1365 -7.1365 -7.1365 1.0974 1.0974 1.1128 1.1128 2.2573 2.2573 2.4010 2.4010 2.6890 2.6890 2.8529 2.8529 4.7771 4.7771 4.8214 4.8214 8.5562 8.5562 8.5592 8.5592 9.4166 9.4166 9.4250 9.4250 k = 0.1111 0.5000-0.0000 ( 5736 PWs) bands (ev): -29.4721 -29.4721 -29.4721 -29.4721 -12.3236 -12.3236 -12.3209 -12.3209 -11.2628 -11.2628 -11.2581 -11.2581 -11.1215 -11.1215 -11.1136 -11.1136 -7.1404 -7.1404 -7.1404 -7.1404 1.1112 1.1112 1.1294 1.1294 2.2480 2.2480 2.4084 2.4084 2.6714 2.6714 2.8557 2.8557 4.7558 4.7558 4.8045 4.8045 8.5624 8.5624 8.5654 8.5654 9.4459 9.4459 9.4543 9.4543 k = 0.1250 0.5000-0.0000 ( 5744 PWs) bands (ev): -29.4720 -29.4720 -29.4720 -29.4720 -12.3236 -12.3236 -12.3207 -12.3207 -11.2617 -11.2617 -11.2565 -11.2565 -11.1236 -11.1236 -11.1149 -11.1149 -7.1447 -7.1447 -7.1447 -7.1447 1.1264 1.1264 1.1476 1.1476 2.2392 2.2392 2.4137 2.4137 2.6556 2.6556 2.8579 2.8579 4.7326 4.7326 4.7849 4.7849 8.5699 8.5699 8.5728 8.5728 9.4799 9.4799 9.4878 9.4878 k = 0.1389 0.5000-0.0000 ( 5728 PWs) bands (ev): -29.4718 -29.4718 -29.4718 -29.4718 -12.3236 -12.3236 -12.3204 -12.3204 -11.2605 -11.2605 -11.2549 -11.2549 -11.1258 -11.1258 -11.1164 -11.1164 -7.1494 -7.1494 -7.1494 -7.1494 1.1428 1.1428 1.1674 1.1674 2.2308 2.2308 2.4161 2.4161 2.6425 2.6425 2.8597 2.8597 4.7076 4.7076 4.7629 4.7629 8.5788 8.5788 8.5816 8.5816 9.5182 9.5182 9.5253 9.5253 k = 0.1528 0.5000-0.0000 ( 5732 PWs) bands (ev): -29.4717 -29.4717 -29.4717 -29.4717 -12.3236 -12.3236 -12.3202 -12.3202 -11.2591 -11.2591 -11.2531 -11.2531 -11.1281 -11.1281 -11.1180 -11.1180 -7.1544 -7.1544 -7.1544 -7.1544 1.1602 1.1602 1.1884 1.1884 2.2230 2.2230 2.4146 2.4146 2.6332 2.6332 2.8614 2.8614 4.6809 4.6809 4.7385 4.7385 8.5890 8.5890 8.5915 8.5915 9.5606 9.5606 9.5665 9.5665 k = 0.1667 0.5000-0.0000 ( 5740 PWs) bands (ev): -29.4715 -29.4715 -29.4715 -29.4715 -12.3236 -12.3236 -12.3200 -12.3200 -11.2577 -11.2577 -11.2514 -11.2514 -11.1304 -11.1304 -11.1198 -11.1198 -7.1598 -7.1598 -7.1598 -7.1598 1.1784 1.1784 1.2106 1.2106 2.2160 2.2160 2.4089 2.4089 2.6287 2.6287 2.8631 2.8631 4.6527 4.6527 4.7119 4.7119 8.6002 8.6002 8.6025 8.6025 9.6067 9.6067 9.6111 9.6111 k = 0.1806 0.5000-0.0000 ( 5738 PWs) bands (ev): -29.4714 -29.4714 -29.4714 -29.4714 -12.3236 -12.3236 -12.3198 -12.3198 -11.2562 -11.2562 -11.2496 -11.2496 -11.1327 -11.1327 -11.1215 -11.1215 -7.1655 -7.1655 -7.1655 -7.1655 1.1972 1.1972 1.2336 1.2336 2.2097 2.2097 2.3987 2.3987 2.6292 2.6292 2.8649 2.8649 4.6233 4.6233 4.6835 4.6835 8.6123 8.6123 8.6141 8.6141 9.6562 9.6562 9.6586 9.6586 k = 0.1944 0.5000-0.0000 ( 5726 PWs) bands (ev): -29.4712 -29.4712 -29.4712 -29.4712 -12.3236 -12.3236 -12.3196 -12.3196 -11.2547 -11.2547 -11.2478 -11.2478 -11.1350 -11.1350 -11.1234 -11.1234 -7.1715 -7.1715 -7.1715 -7.1715 1.2163 1.2163 1.2573 1.2573 2.2042 2.2042 2.3849 2.3849 2.6344 2.6344 2.8671 2.8671 4.5928 4.5928 4.6533 4.6533 8.6246 8.6246 8.6261 8.6261 9.7085 9.7085 9.7087 9.7087 k = 0.2083 0.5000-0.0000 ( 5724 PWs) bands (ev): -29.4710 -29.4710 -29.4710 -29.4710 -12.3236 -12.3236 -12.3195 -12.3195 -11.2531 -11.2531 -11.2461 -11.2461 -11.1372 -11.1372 -11.1252 -11.1252 -7.1777 -7.1777 -7.1776 -7.1776 1.2355 1.2355 1.2813 1.2813 2.1998 2.1998 2.3683 2.3683 2.6433 2.6433 2.8697 2.8697 4.5615 4.5615 4.6218 4.6218 8.6366 8.6366 8.6377 8.6377 9.7608 9.7608 9.7632 9.7632 k = 0.2222 0.5000-0.0000 ( 5730 PWs) bands (ev): -29.4708 -29.4708 -29.4708 -29.4708 -12.3236 -12.3236 -12.3194 -12.3194 -11.2515 -11.2515 -11.2444 -11.2444 -11.1392 -11.1392 -11.1271 -11.1271 -7.1840 -7.1840 -7.1840 -7.1840 1.2546 1.2546 1.3055 1.3055 2.1964 2.1964 2.3501 2.3501 2.6553 2.6553 2.8728 2.8728 4.5296 4.5296 4.5890 4.5890 8.6477 8.6477 8.6482 8.6482 9.8142 9.8142 9.8196 9.8196 k = 0.2361 0.5000-0.0000 ( 5730 PWs) bands (ev): -29.4706 -29.4706 -29.4706 -29.4706 -12.3236 -12.3236 -12.3193 -12.3193 -11.2500 -11.2500 -11.2428 -11.2428 -11.1411 -11.1411 -11.1289 -11.1289 -7.1905 -7.1905 -7.1904 -7.1904 1.2733 1.2733 1.3294 1.3294 2.1941 2.1941 2.3312 2.3312 2.6697 2.6697 2.8765 2.8765 4.4973 4.4973 4.5555 4.5555 8.6567 8.6567 8.6569 8.6569 9.8673 9.8673 9.8771 9.8771 k = 0.2500 0.5000-0.0000 ( 5730 PWs) bands (ev): -29.4704 -29.4704 -29.4704 -29.4704 -12.3236 -12.3236 -12.3193 -12.3193 -11.2484 -11.2484 -11.2413 -11.2413 -11.1429 -11.1429 -11.1307 -11.1307 -7.1970 -7.1970 -7.1969 -7.1969 1.2915 1.2915 1.3528 1.3528 2.1929 2.1929 2.3123 2.3123 2.6858 2.6858 2.8808 2.8808 4.4649 4.4649 4.5213 4.5213 8.6622 8.6622 8.6632 8.6632 9.9098 9.9098 9.9278 9.9278 k = 0.2639 0.5000-0.0000 ( 5734 PWs) bands (ev): -29.4703 -29.4703 -29.4703 -29.4703 -12.3236 -12.3236 -12.3193 -12.3193 -11.2469 -11.2469 -11.2399 -11.2399 -11.1444 -11.1444 -11.1323 -11.1323 -7.2036 -7.2036 -7.2035 -7.2035 1.3090 1.3090 1.3754 1.3754 2.1928 2.1928 2.2940 2.2940 2.7033 2.7033 2.8858 2.8858 4.4326 4.4326 4.4870 4.4870 8.6637 8.6637 8.6657 8.6657 9.9024 9.9024 9.9115 9.9115 k = 0.2778 0.5000-0.0000 ( 5738 PWs) bands (ev): -29.4701 -29.4701 -29.4701 -29.4701 -12.3236 -12.3236 -12.3194 -12.3194 -11.2455 -11.2455 -11.2387 -11.2387 -11.1458 -11.1458 -11.1339 -11.1339 -7.2101 -7.2101 -7.2100 -7.2100 1.3257 1.3257 1.3968 1.3968 2.1938 2.1938 2.2768 2.2768 2.7218 2.7218 2.8915 2.8915 4.4007 4.4007 4.4526 4.4526 8.6603 8.6603 8.6633 8.6633 9.8808 9.8808 9.8898 9.8898 k = 0.2917 0.5000-0.0000 ( 5738 PWs) bands (ev): -29.4699 -29.4699 -29.4699 -29.4699 -12.3236 -12.3236 -12.3195 -12.3195 -11.2442 -11.2442 -11.2377 -11.2377 -11.1469 -11.1469 -11.1354 -11.1354 -7.2165 -7.2165 -7.2165 -7.2165 1.3414 1.3414 1.4168 1.4168 2.1958 2.1958 2.2612 2.2612 2.7410 2.7410 2.8977 2.8977 4.3695 4.3695 4.4187 4.4187 8.6513 8.6513 8.6553 8.6553 9.8651 9.8651 9.8758 9.8758 k = 0.3056 0.5000-0.0000 ( 5740 PWs) bands (ev): -29.4697 -29.4697 -29.4697 -29.4697 -12.3236 -12.3236 -12.3196 -12.3196 -11.2430 -11.2430 -11.2368 -11.2368 -11.1477 -11.1477 -11.1367 -11.1367 -7.2229 -7.2229 -7.2228 -7.2228 1.3562 1.3562 1.4351 1.4351 2.1987 2.1987 2.2474 2.2474 2.7607 2.7607 2.9044 2.9044 4.3391 4.3391 4.3854 4.3854 8.6365 8.6365 8.6414 8.6414 9.8585 9.8585 9.8712 9.8712 k = 0.3194 0.5000-0.0000 ( 5750 PWs) bands (ev): -29.4695 -29.4695 -29.4695 -29.4695 -12.3237 -12.3237 -12.3197 -12.3197 -11.2419 -11.2419 -11.2361 -11.2361 -11.1483 -11.1483 -11.1379 -11.1379 -7.2290 -7.2290 -7.2289 -7.2289 1.3699 1.3699 1.4514 1.4514 2.2023 2.2023 2.2356 2.2356 2.7805 2.7805 2.9115 2.9115 4.3099 4.3099 4.3530 4.3530 8.6160 8.6160 8.6218 8.6218 9.8621 9.8621 9.8768 9.8768 k = 0.3333 0.5000-0.0000 ( 5758 PWs) bands (ev): -29.4694 -29.4694 -29.4694 -29.4694 -12.3237 -12.3237 -12.3199 -12.3199 -11.2409 -11.2409 -11.2356 -11.2356 -11.1487 -11.1487 -11.1389 -11.1389 -7.2349 -7.2349 -7.2348 -7.2348 1.3826 1.3826 1.4655 1.4655 2.2065 2.2065 2.2260 2.2260 2.8003 2.8003 2.9189 2.9189 4.2820 4.2820 4.3219 4.3219 8.5905 8.5905 8.5969 8.5969 9.8762 9.8762 9.8927 9.8927 k = 0.3472 0.5000-0.0000 ( 5766 PWs) bands (ev): -29.4692 -29.4692 -29.4692 -29.4692 -12.3237 -12.3237 -12.3201 -12.3201 -11.2401 -11.2401 -11.2353 -11.2353 -11.1489 -11.1489 -11.1398 -11.1398 -7.2406 -7.2406 -7.2405 -7.2405 1.3944 1.3944 1.4774 1.4774 2.2111 2.2111 2.2187 2.2187 2.8199 2.8199 2.9264 2.9264 4.2557 4.2557 4.2922 4.2922 8.5611 8.5611 8.5680 8.5680 9.9003 9.9003 9.9185 9.9185 k = 0.3611 0.5000-0.0000 ( 5762 PWs) bands (ev): -29.4691 -29.4691 -29.4691 -29.4691 -12.3237 -12.3237 -12.3204 -12.3204 -11.2394 -11.2394 -11.2351 -11.2351 -11.1489 -11.1489 -11.1406 -11.1406 -7.2459 -7.2459 -7.2458 -7.2458 1.4053 1.4053 1.4869 1.4869 2.2136 2.2136 2.2157 2.2157 2.8390 2.8390 2.9338 2.9338 4.2312 4.2312 4.2643 4.2643 8.5291 8.5291 8.5362 8.5362 9.9336 9.9336 9.9534 9.9534 k = 0.3750 0.5000-0.0000 ( 5758 PWs) bands (ev): -29.4689 -29.4689 -29.4689 -29.4689 -12.3237 -12.3237 -12.3206 -12.3206 -11.2388 -11.2388 -11.2350 -11.2350 -11.1487 -11.1487 -11.1413 -11.1413 -7.2508 -7.2508 -7.2508 -7.2508 1.4154 1.4154 1.4942 1.4942 2.2106 2.2106 2.2203 2.2203 2.8573 2.8573 2.9410 2.9410 4.2087 4.2087 4.2384 4.2384 8.4959 8.4959 8.5029 8.5029 9.9752 9.9752 9.9962 9.9962 k = 0.3889 0.5000-0.0000 ( 5754 PWs) bands (ev): -29.4688 -29.4688 -29.4688 -29.4688 -12.3237 -12.3237 -12.3209 -12.3209 -11.2383 -11.2383 -11.2350 -11.2350 -11.1484 -11.1484 -11.1418 -11.1418 -7.2554 -7.2554 -7.2553 -7.2553 1.4248 1.4248 1.4992 1.4992 2.2095 2.2095 2.2247 2.2247 2.8747 2.8747 2.9477 2.9477 4.1883 4.1883 4.2145 4.2145 8.4626 8.4626 8.4694 8.4694 10.0239 10.0239 10.0461 10.0461 k = 0.4028 0.5000-0.0000 ( 5750 PWs) bands (ev): -29.4687 -29.4687 -29.4687 -29.4687 -12.3237 -12.3237 -12.3211 -12.3211 -11.2378 -11.2378 -11.2351 -11.2351 -11.1480 -11.1480 -11.1422 -11.1422 -7.2595 -7.2595 -7.2594 -7.2594 1.4336 1.4336 1.5021 1.5021 2.2100 2.2100 2.2285 2.2285 2.8910 2.8910 2.9537 2.9537 4.1702 4.1702 4.1930 4.1930 8.4306 8.4306 8.4369 8.4369 10.0787 10.0787 10.1017 10.1017 k = 0.4167 0.5000-0.0000 ( 5750 PWs) bands (ev): -29.4686 -29.4686 -29.4686 -29.4686 -12.3236 -12.3236 -12.3214 -12.3214 -11.2375 -11.2375 -11.2352 -11.2352 -11.1475 -11.1475 -11.1426 -11.1426 -7.2631 -7.2631 -7.2631 -7.2631 1.4419 1.4419 1.5032 1.5032 2.2119 2.2119 2.2317 2.2317 2.9060 2.9060 2.9589 2.9589 4.1545 4.1545 4.1739 4.1739 8.4009 8.4009 8.4066 8.4066 10.1384 10.1384 10.1620 10.1620 k = 0.4306 0.5000-0.0000 ( 5750 PWs) bands (ev): -29.4685 -29.4685 -29.4685 -29.4685 -12.3235 -12.3235 -12.3217 -12.3217 -11.2373 -11.2373 -11.2354 -11.2354 -11.1470 -11.1470 -11.1430 -11.1430 -7.2663 -7.2663 -7.2662 -7.2662 1.4497 1.4497 1.5027 1.5027 2.2147 2.2147 2.2341 2.2341 2.9196 2.9196 2.9630 2.9630 4.1413 4.1413 4.1574 4.1574 8.3744 8.3744 8.3793 8.3793 10.2016 10.2016 10.2255 10.2255 k = 0.4444 0.5000-0.0000 ( 5760 PWs) bands (ev): -29.4684 -29.4684 -29.4684 -29.4684 -12.3235 -12.3235 -12.3219 -12.3219 -11.2370 -11.2370 -11.2356 -11.2356 -11.1465 -11.1465 -11.1433 -11.1433 -7.2689 -7.2689 -7.2688 -7.2688 1.4571 1.4571 1.5008 1.5008 2.2182 2.2182 2.2356 2.2356 2.9316 2.9316 2.9658 2.9658 4.1306 4.1306 4.1435 4.1435 8.3518 8.3518 8.3559 8.3559 10.2670 10.2670 10.2906 10.2906 k = 0.4583 0.5000-0.0000 ( 5768 PWs) bands (ev): -29.4684 -29.4684 -29.4684 -29.4684 -12.3233 -12.3233 -12.3222 -12.3222 -11.2369 -11.2369 -11.2358 -11.2358 -11.1460 -11.1460 -11.1436 -11.1436 -7.2709 -7.2709 -7.2709 -7.2709 1.4642 1.4642 1.4976 1.4976 2.2220 2.2220 2.2361 2.2361 2.9419 2.9419 2.9673 2.9673 4.1227 4.1227 4.1322 4.1322 8.3337 8.3337 8.3369 8.3369 10.3322 10.3322 10.3546 10.3546 k = 0.4722 0.5000-0.0000 ( 5776 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3232 -12.3232 -12.3224 -12.3224 -11.2367 -11.2367 -11.2360 -11.2360 -11.1455 -11.1455 -11.1439 -11.1439 -7.2724 -7.2724 -7.2724 -7.2724 1.4710 1.4710 1.4936 1.4936 2.2258 2.2258 2.2357 2.2357 2.9505 2.9505 2.9673 2.9673 4.1174 4.1174 4.1238 4.1238 8.3207 8.3207 8.3228 8.3228 10.3936 10.3936 10.4133 10.4133 k = 0.4861 0.5000-0.0000 ( 5772 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3230 -12.3230 -12.3227 -12.3227 -11.2365 -11.2365 -11.2362 -11.2362 -11.1451 -11.1451 -11.1443 -11.1443 -7.2733 -7.2733 -7.2732 -7.2732 1.4773 1.4773 1.4887 1.4887 2.2292 2.2292 2.2344 2.2344 2.9573 2.9573 2.9657 2.9657 4.1149 4.1149 4.1180 4.1180 8.3130 8.3130 8.3140 8.3140 10.4443 10.4443 10.4572 10.4572 k = 0.5000 0.5000-0.0000 ( 5760 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3229 -12.3229 -12.3229 -12.3229 -11.2364 -11.2364 -11.2364 -11.2364 -11.1447 -11.1447 -11.1447 -11.1447 -7.2735 -7.2735 -7.2735 -7.2735 1.4833 1.4833 1.4833 1.4833 2.2321 2.2321 2.2321 2.2321 2.9624 2.9624 2.9624 2.9624 4.1151 4.1151 4.1151 4.1151 8.3107 8.3107 8.3107 8.3107 10.4701 10.4701 10.4701 10.4701 k = 0.5000 0.5000-0.0000 ( 5760 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3229 -12.3229 -12.3229 -12.3229 -11.2364 -11.2364 -11.2364 -11.2364 -11.1447 -11.1447 -11.1447 -11.1447 -7.2735 -7.2735 -7.2735 -7.2735 1.4833 1.4833 1.4833 1.4833 2.2321 2.2321 2.2321 2.2321 2.9624 2.9624 2.9624 2.9624 4.1151 4.1151 4.1151 4.1151 8.3107 8.3107 8.3107 8.3107 10.4701 10.4701 10.4701 10.4701 k = 0.4902 0.4902-0.0000 ( 5776 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3230 -12.3230 -12.3227 -12.3227 -11.2365 -11.2365 -11.2362 -11.2362 -11.1451 -11.1451 -11.1443 -11.1443 -7.2733 -7.2733 -7.2732 -7.2732 1.4773 1.4773 1.4888 1.4888 2.2292 2.2292 2.2344 2.2344 2.9572 2.9572 2.9658 2.9658 4.1148 4.1148 4.1181 4.1181 8.3128 8.3128 8.3142 8.3142 10.4350 10.4350 10.4706 10.4707 k = 0.4804 0.4804-0.0000 ( 5768 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3232 -12.3232 -12.3224 -12.3224 -11.2367 -11.2367 -11.2360 -11.2360 -11.1456 -11.1456 -11.1439 -11.1439 -7.2727 -7.2727 -7.2720 -7.2720 1.4708 1.4708 1.4938 1.4938 2.2253 2.2253 2.2362 2.2362 2.9494 2.9494 2.9685 2.9685 4.1167 4.1167 4.1244 4.1244 8.3196 8.3196 8.3238 8.3238 10.3686 10.3686 10.4682 10.4682 k = 0.4706 0.4706-0.0000 ( 5762 PWs) bands (ev): -29.4684 -29.4684 -29.4683 -29.4683 -12.3234 -12.3234 -12.3222 -12.3222 -11.2368 -11.2368 -11.2358 -11.2358 -11.1461 -11.1461 -11.1436 -11.1436 -7.2717 -7.2717 -7.2701 -7.2701 1.4638 1.4638 1.4984 1.4984 2.2205 2.2205 2.2376 2.2376 2.9383 2.9383 2.9709 2.9709 4.1207 4.1207 4.1341 4.1341 8.3307 8.3307 8.3395 8.3395 10.2962 10.2962 10.4612 10.4612 k = 0.4608 0.4608-0.0000 ( 5762 PWs) bands (ev): -29.4684 -29.4684 -29.4684 -29.4684 -12.3235 -12.3235 -12.3219 -12.3219 -11.2370 -11.2370 -11.2356 -11.2356 -11.1467 -11.1467 -11.1432 -11.1432 -7.2703 -7.2703 -7.2676 -7.2676 1.4562 1.4562 1.5028 1.5028 2.2147 2.2147 2.2391 2.2391 2.9236 2.9236 2.9735 2.9735 4.1264 4.1264 4.1474 4.1474 8.3454 8.3454 8.3611 8.3611 10.2251 10.2251 10.3949 10.3949 k = 0.4510 0.4510-0.0000 ( 5756 PWs) bands (ev): -29.4685 -29.4685 -29.4684 -29.4684 -12.3236 -12.3236 -12.3215 -12.3215 -11.2371 -11.2371 -11.2353 -11.2353 -11.1473 -11.1473 -11.1429 -11.1429 -7.2686 -7.2686 -7.2643 -7.2643 1.4483 1.4483 1.5068 1.5068 2.2080 2.2080 2.2408 2.2408 2.9052 2.9052 2.9765 2.9765 4.1338 4.1338 4.1641 4.1641 8.3630 8.3630 8.3881 8.3881 10.1578 10.1578 10.3198 10.3198 k = 0.4412 0.4412-0.0000 ( 5760 PWs) bands (ev): -29.4686 -29.4686 -29.4685 -29.4685 -12.3237 -12.3237 -12.3211 -12.3211 -11.2371 -11.2371 -11.2351 -11.2351 -11.1481 -11.1481 -11.1425 -11.1425 -7.2667 -7.2667 -7.2605 -7.2605 1.4400 1.4400 1.5106 1.5106 2.2005 2.2005 2.2430 2.2430 2.8830 2.8830 2.9801 2.9801 4.1428 4.1428 4.1841 4.1841 8.3825 8.3825 8.4202 8.4202 10.0957 10.0957 10.2514 10.2514 k = 0.4314 0.4314-0.0000 ( 5752 PWs) bands (ev): -29.4688 -29.4688 -29.4686 -29.4686 -12.3238 -12.3238 -12.3207 -12.3207 -11.2372 -11.2372 -11.2347 -11.2347 -11.1489 -11.1489 -11.1421 -11.1421 -7.2645 -7.2645 -7.2562 -7.2562 1.4316 1.4316 1.5141 1.5141 2.1925 2.1925 2.2459 2.2459 2.8572 2.8572 2.9843 2.9843 4.1535 4.1535 4.2071 4.2071 8.4029 8.4029 8.4565 8.4565 10.0399 10.0399 10.1921 10.1921 k = 0.4216 0.4216-0.0000 ( 5756 PWs) bands (ev): -29.4689 -29.4689 -29.4687 -29.4687 -12.3239 -12.3239 -12.3202 -12.3202 -11.2372 -11.2372 -11.2344 -11.2344 -11.1497 -11.1497 -11.1416 -11.1416 -7.2623 -7.2623 -7.2514 -7.2514 1.4233 1.4233 1.5173 1.5173 2.1841 2.1841 2.2497 2.2497 2.8279 2.8279 2.9891 2.9891 4.1657 4.1657 4.2326 4.2326 8.4230 8.4230 8.4962 8.4962 9.9912 9.9912 10.1436 10.1436 k = 0.4118 0.4118-0.0000 ( 5756 PWs) bands (ev): -29.4691 -29.4691 -29.4688 -29.4688 -12.3240 -12.3240 -12.3197 -12.3197 -11.2372 -11.2372 -11.2339 -11.2339 -11.1506 -11.1506 -11.1411 -11.1411 -7.2600 -7.2600 -7.2463 -7.2463 1.4154 1.4154 1.5202 1.5202 2.1759 2.1759 2.2546 2.2546 2.7955 2.7955 2.9946 2.9946 4.1795 4.1795 4.2604 4.2604 8.4420 8.4420 8.5385 8.5385 9.9505 9.9505 10.1070 10.1070 k = 0.4020 0.4020-0.0000 ( 5756 PWs) bands (ev): -29.4692 -29.4692 -29.4689 -29.4689 -12.3240 -12.3240 -12.3190 -12.3190 -11.2371 -11.2371 -11.2334 -11.2334 -11.1516 -11.1516 -11.1405 -11.1405 -7.2577 -7.2577 -7.2409 -7.2409 1.4080 1.4080 1.5228 1.5228 2.1680 2.1680 2.2607 2.2607 2.7602 2.7602 3.0008 3.0008 4.1949 4.1949 4.2899 4.2899 8.4589 8.4589 8.5822 8.5822 9.9186 9.9186 10.0829 10.0829 k = 0.3922 0.3922-0.0000 ( 5756 PWs) bands (ev): -29.4694 -29.4694 -29.4690 -29.4690 -12.3240 -12.3240 -12.3183 -12.3183 -11.2370 -11.2370 -11.2328 -11.2328 -11.1525 -11.1525 -11.1399 -11.1399 -7.2556 -7.2556 -7.2354 -7.2354 1.4015 1.4015 1.5249 1.5249 2.1610 2.1610 2.2680 2.2680 2.7224 2.7224 3.0077 3.0077 4.2116 4.2116 4.3206 4.3206 8.4733 8.4733 8.6260 8.6260 9.8964 9.8964 10.0715 10.0715 k = 0.3824 0.3824-0.0000 ( 5748 PWs) bands (ev): -29.4697 -29.4697 -29.4692 -29.4692 -12.3240 -12.3240 -12.3175 -12.3175 -11.2368 -11.2368 -11.2321 -11.2321 -11.1535 -11.1535 -11.1392 -11.1392 -7.2538 -7.2538 -7.2298 -7.2298 1.3962 1.3962 1.5266 1.5266 2.1552 2.1552 2.2768 2.2768 2.6826 2.6826 3.0153 3.0153 4.2299 4.2299 4.3520 4.3520 8.4851 8.4851 8.6687 8.6687 9.8844 9.8844 10.0724 10.0724 k = 0.3725 0.3725-0.0000 ( 5756 PWs) bands (ev): -29.4699 -29.4699 -29.4693 -29.4693 -12.3239 -12.3239 -12.3167 -12.3167 -11.2365 -11.2365 -11.2312 -11.2312 -11.1545 -11.1545 -11.1385 -11.1385 -7.2523 -7.2523 -7.2243 -7.2243 1.3923 1.3923 1.5278 1.5278 2.1510 2.1510 2.2870 2.2870 2.6411 2.6411 3.0235 3.0235 4.2494 4.2494 4.3834 4.3834 8.4945 8.4945 8.7091 8.7091 9.8832 9.8832 10.0845 10.0845 k = 0.3627 0.3627-0.0000 ( 5748 PWs) bands (ev): -29.4701 -29.4701 -29.4695 -29.4695 -12.3238 -12.3238 -12.3157 -12.3157 -11.2361 -11.2361 -11.2302 -11.2302 -11.1555 -11.1555 -11.1377 -11.1377 -7.2513 -7.2513 -7.2191 -7.2191 1.3902 1.3902 1.5284 1.5284 2.1487 2.1487 2.2986 2.2986 2.5984 2.5984 3.0324 3.0324 4.2703 4.2703 4.4143 4.4143 8.5023 8.5023 8.7461 8.7461 9.8928 9.8928 10.1063 10.1063 k = 0.3529 0.3529-0.0000 ( 5752 PWs) bands (ev): -29.4704 -29.4704 -29.4696 -29.4696 -12.3237 -12.3237 -12.3147 -12.3147 -11.2356 -11.2356 -11.2291 -11.2291 -11.1564 -11.1564 -11.1369 -11.1369 -7.2508 -7.2508 -7.2141 -7.2141 1.3902 1.3902 1.5286 1.5286 2.1486 2.1486 2.3118 2.3118 2.5549 2.5549 3.0420 3.0420 4.2923 4.2923 4.4442 4.4442 8.5093 8.5093 8.7790 8.7790 9.9123 9.9123 10.1359 10.1359 k = 0.3431 0.3431-0.0000 ( 5762 PWs) bands (ev): -29.4706 -29.4706 -29.4698 -29.4698 -12.3235 -12.3235 -12.3135 -12.3135 -11.2349 -11.2349 -11.2277 -11.2277 -11.1573 -11.1573 -11.1360 -11.1360 -7.2510 -7.2510 -7.2096 -7.2096 1.3924 1.3924 1.5283 1.5283 2.1509 2.1509 2.3264 2.3264 2.5111 2.5111 3.0522 3.0522 4.3155 4.3155 4.4725 4.4725 8.5167 8.5167 8.8075 8.8075 9.9400 9.9400 10.1709 10.1709 k = 0.3333 0.3333-0.0000 ( 5750 PWs) bands (ev): -29.4709 -29.4709 -29.4700 -29.4700 -12.3232 -12.3232 -12.3123 -12.3123 -11.2342 -11.2342 -11.2262 -11.2262 -11.1582 -11.1582 -11.1350 -11.1350 -7.2519 -7.2519 -7.2055 -7.2055 1.3972 1.3972 1.5276 1.5276 2.1558 2.1558 2.3423 2.3423 2.4676 2.4676 3.0631 3.0631 4.3397 4.3397 4.4988 4.4988 8.5255 8.5255 8.8317 8.8317 9.9723 9.9723 10.1673 10.1673 k = 0.3235 0.3235-0.0000 ( 5754 PWs) bands (ev): -29.4712 -29.4712 -29.4702 -29.4702 -12.3229 -12.3229 -12.3110 -12.3110 -11.2333 -11.2333 -11.2245 -11.2245 -11.1591 -11.1591 -11.1340 -11.1340 -7.2536 -7.2536 -7.2021 -7.2021 1.4047 1.4047 1.5265 1.5265 2.1633 2.1633 2.3593 2.3593 2.4251 2.4251 3.0747 3.0747 4.3648 4.3648 4.5227 4.5227 8.5366 8.5366 8.8521 8.8521 10.0025 10.0025 10.1096 10.1096 k = 0.3137 0.3137-0.0000 ( 5752 PWs) bands (ev): -29.4715 -29.4715 -29.4704 -29.4704 -12.3224 -12.3224 -12.3095 -12.3095 -11.2323 -11.2323 -11.2225 -11.2225 -11.1598 -11.1598 -11.1330 -11.1330 -7.2562 -7.2562 -7.1995 -7.1995 1.4151 1.4151 1.5252 1.5252 2.1735 2.1735 2.3699 2.3699 2.3916 2.3916 3.0868 3.0868 4.3906 4.3906 4.5438 4.5438 8.5510 8.5510 8.8695 8.8695 10.0056 10.0056 10.0633 10.0633 k = 0.3039 0.3039-0.0000 ( 5737 PWs) bands (ev): -29.4718 -29.4718 -29.4706 -29.4706 -12.3219 -12.3219 -12.3080 -12.3080 -11.2311 -11.2311 -11.2204 -11.2204 -11.1605 -11.1605 -11.1319 -11.1319 -7.2598 -7.2598 -7.1976 -7.1976 1.4285 1.4285 1.5238 1.5238 2.1861 2.1861 2.3383 2.3383 2.4033 2.4033 3.0996 3.0996 4.4170 4.4170 4.5620 4.5620 8.5693 8.5693 8.8846 8.8846 9.9420 9.9420 10.0607 10.0607 k = 0.2941 0.2941-0.0000 ( 5741 PWs) bands (ev): -29.4721 -29.4721 -29.4708 -29.4708 -12.3214 -12.3214 -12.3064 -12.3064 -11.2298 -11.2298 -11.2180 -11.2180 -11.1612 -11.1612 -11.1308 -11.1308 -7.2643 -7.2643 -7.1966 -7.1966 1.4451 1.4451 1.5222 1.5222 2.2008 2.2008 2.3008 2.3008 2.4248 2.4248 3.1130 3.1130 4.4437 4.4437 4.5770 4.5770 8.5919 8.5919 8.8982 8.8982 9.8556 9.8556 10.0517 10.0517 k = 0.2843 0.2843-0.0000 ( 5741 PWs) bands (ev): -29.4724 -29.4724 -29.4710 -29.4710 -12.3207 -12.3207 -12.3047 -12.3047 -11.2282 -11.2282 -11.2153 -11.2153 -11.1617 -11.1617 -11.1297 -11.1297 -7.2699 -7.2699 -7.1966 -7.1966 1.4650 1.4650 1.5205 1.5205 2.2153 2.2153 2.2676 2.2676 2.4485 2.4485 3.1270 3.1270 4.4704 4.4704 4.5890 4.5890 8.6191 8.6191 8.9111 8.9111 9.7597 9.7597 9.9754 9.9754 k = 0.2745 0.2745-0.0000 ( 5749 PWs) bands (ev): -29.4727 -29.4727 -29.4712 -29.4712 -12.3200 -12.3200 -12.3029 -12.3029 -11.2265 -11.2265 -11.2125 -11.2125 -11.1622 -11.1622 -11.1286 -11.1286 -7.2765 -7.2765 -7.1975 -7.1975 1.4880 1.4880 1.5187 1.5187 2.2140 2.2140 2.2553 2.2553 2.4738 2.4738 3.1415 3.1415 4.4967 4.4967 4.5980 4.5980 8.6510 8.6510 8.9236 8.9236 9.6569 9.6569 9.8633 9.8633 k = 0.2647 0.2647-0.0000 ( 5749 PWs) bands (ev): -29.4731 -29.4731 -29.4714 -29.4714 -12.3191 -12.3191 -12.3011 -12.3011 -11.2247 -11.2247 -11.2094 -11.2094 -11.1626 -11.1626 -11.1274 -11.1274 -7.2842 -7.2842 -7.1994 -7.1994 1.5121 1.5121 1.5188 1.5188 2.1892 2.1892 2.2718 2.2718 2.5006 2.5006 3.1564 3.1564 4.5216 4.5216 4.6050 4.6050 8.6874 8.6874 8.9363 8.9363 9.5488 9.5488 9.7523 9.7523 k = 0.2549 0.2549-0.0000 ( 5757 PWs) bands (ev): -29.4734 -29.4734 -29.4716 -29.4716 -12.3182 -12.3182 -12.2992 -12.2992 -11.2226 -11.2226 -11.2061 -11.2061 -11.1629 -11.1629 -11.1262 -11.1262 -7.2929 -7.2929 -7.2024 -7.2024 1.5129 1.5129 1.5450 1.5450 2.1628 2.1628 2.2958 2.2958 2.5290 2.5290 3.1719 3.1719 4.5433 4.5433 4.6114 4.6114 8.7281 8.7281 8.9492 8.9492 9.4367 9.4367 9.6432 9.6432 k = 0.2451 0.2451-0.0000 ( 5745 PWs) bands (ev): -29.4737 -29.4737 -29.4719 -29.4719 -12.3172 -12.3172 -12.2972 -12.2972 -11.2203 -11.2203 -11.2026 -11.2026 -11.1631 -11.1631 -11.1251 -11.1251 -7.3026 -7.3026 -7.2064 -7.2064 1.5095 1.5095 1.5778 1.5778 2.1395 2.1395 2.3230 2.3230 2.5589 2.5589 3.1877 3.1877 4.5583 4.5583 4.6208 4.6208 8.7725 8.7725 8.9626 8.9626 9.3220 9.3220 9.5369 9.5369 k = 0.2353 0.2353-0.0000 ( 5751 PWs) bands (ev): -29.4741 -29.4741 -29.4721 -29.4721 -12.3161 -12.3161 -12.2951 -12.2951 -11.2179 -11.2179 -11.1989 -11.1989 -11.1632 -11.1632 -11.1239 -11.1239 -7.3133 -7.3133 -7.2114 -7.2114 1.5049 1.5049 1.6138 1.6138 2.1203 2.1203 2.3526 2.3526 2.5902 2.5902 3.2039 3.2039 4.5634 4.5634 4.6362 4.6362 8.8198 8.8198 8.9763 8.9763 9.2056 9.2056 9.4342 9.4342 k = 0.2255 0.2255-0.0000 ( 5743 PWs) bands (ev): -29.4744 -29.4744 -29.4723 -29.4723 -12.3149 -12.3149 -12.2931 -12.2931 -11.2152 -11.2152 -11.1950 -11.1950 -11.1632 -11.1632 -11.1228 -11.1228 -7.3249 -7.3249 -7.2173 -7.2173 1.4990 1.4990 1.6527 1.6527 2.1059 2.1059 2.3843 2.3843 2.6229 2.6229 3.2203 3.2203 4.5599 4.5599 4.6563 4.6563 8.8686 8.8686 8.9902 8.9902 9.0892 9.0892 9.3360 9.3360 k = 0.2157 0.2157-0.0000 ( 5757 PWs) bands (ev): -29.4747 -29.4747 -29.4725 -29.4725 -12.3136 -12.3136 -12.2910 -12.2910 -11.2124 -11.2124 -11.1910 -11.1910 -11.1631 -11.1631 -11.1217 -11.1217 -7.3374 -7.3374 -7.2242 -7.2242 1.4916 1.4916 1.6943 1.6943 2.0967 2.0967 2.4179 2.4179 2.6570 2.6570 3.2368 3.2368 4.5507 4.5507 4.6780 4.6780 8.9129 8.9129 8.9717 8.9717 9.0096 9.0096 9.2435 9.2435 k = 0.2059 0.2059-0.0000 ( 5765 PWs) bands (ev): -29.4750 -29.4750 -29.4727 -29.4727 -12.3123 -12.3123 -12.2888 -12.2888 -11.2095 -11.2095 -11.1868 -11.1868 -11.1629 -11.1629 -11.1206 -11.1206 -7.3506 -7.3506 -7.2319 -7.2319 1.4826 1.4826 1.7383 1.7383 2.0928 2.0928 2.4533 2.4533 2.6925 2.6925 3.2534 3.2534 4.5374 4.5374 4.6997 4.6997 8.8488 8.8488 8.9605 8.9605 9.0279 9.0279 9.1595 9.1595 k = 0.1961 0.1961-0.0000 ( 5761 PWs) bands (ev): -29.4753 -29.4753 -29.4729 -29.4729 -12.3108 -12.3108 -12.2867 -12.2867 -11.2063 -11.2063 -11.1826 -11.1826 -11.1625 -11.1625 -11.1196 -11.1196 -7.3645 -7.3645 -7.2405 -7.2405 1.4719 1.4719 1.7844 1.7844 2.0943 2.0943 2.4903 2.4903 2.7293 2.7293 3.2698 3.2698 4.5209 4.5209 4.7205 4.7205 8.7347 8.7347 8.9749 8.9749 9.0494 9.0494 9.1009 9.1009 k = 0.1863 0.1863-0.0000 ( 5753 PWs) bands (ev): -29.4757 -29.4757 -29.4731 -29.4731 -12.3094 -12.3094 -12.2846 -12.2846 -11.2031 -11.2031 -11.1783 -11.1783 -11.1620 -11.1620 -11.1186 -11.1186 -7.3789 -7.3789 -7.2497 -7.2497 1.4597 1.4597 1.8321 1.8321 2.1011 2.1011 2.5289 2.5289 2.7674 2.7674 3.2861 3.2861 4.5018 4.5018 4.7396 4.7396 8.6211 8.6211 8.9509 8.9509 9.0270 9.0270 9.1258 9.1258 k = 0.1765 0.1765-0.0000 ( 5749 PWs) bands (ev): -29.4760 -29.4760 -29.4733 -29.4733 -12.3079 -12.3079 -12.2825 -12.2825 -11.1998 -11.1998 -11.1741 -11.1741 -11.1613 -11.1613 -11.1177 -11.1177 -7.3937 -7.3937 -7.2595 -7.2595 1.4463 1.4463 1.8811 1.8811 2.1128 2.1128 2.5688 2.5688 2.8067 2.8067 3.3020 3.3020 4.4803 4.4803 4.7568 4.7568 8.5095 8.5095 8.8960 8.8960 9.0083 9.0083 9.1756 9.1756 k = 0.1667 0.1667-0.0000 ( 5753 PWs) bands (ev): -29.4763 -29.4763 -29.4735 -29.4735 -12.3063 -12.3063 -12.2805 -12.2805 -11.1964 -11.1964 -11.1701 -11.1701 -11.1602 -11.1602 -11.1169 -11.1169 -7.4089 -7.4089 -7.2699 -7.2699 1.4318 1.4318 1.9308 1.9308 2.1291 2.1291 2.6101 2.6101 2.8472 2.8472 3.3174 3.3174 4.4568 4.4568 4.7716 4.7716 8.4006 8.4006 8.8374 8.8374 8.9877 8.9877 9.2270 9.2270 k = 0.1569 0.1569-0.0000 ( 5751 PWs) bands (ev): -29.4765 -29.4765 -29.4737 -29.4737 -12.3047 -12.3047 -12.2785 -12.2785 -11.1930 -11.1930 -11.1665 -11.1665 -11.1584 -11.1584 -11.1162 -11.1162 -7.4242 -7.4242 -7.2805 -7.2805 1.4167 1.4167 1.9804 1.9804 2.1498 2.1498 2.6525 2.6525 2.8888 2.8888 3.3321 3.3321 4.4314 4.4314 4.7839 4.7839 8.2949 8.2949 8.7835 8.7835 8.9611 8.9611 9.2753 9.2753 k = 0.1471 0.1471-0.0000 ( 5747 PWs) bands (ev): -29.4768 -29.4768 -29.4739 -29.4739 -12.3031 -12.3031 -12.2766 -12.2766 -11.1896 -11.1896 -11.1638 -11.1638 -11.1558 -11.1558 -11.1155 -11.1155 -7.4396 -7.4396 -7.2915 -7.2915 1.4012 1.4012 2.0293 2.0293 2.1745 2.1745 2.6960 2.6960 2.9314 2.9314 3.3459 3.3459 4.4044 4.4044 4.7935 4.7935 8.1928 8.1928 8.7365 8.7365 8.9309 8.9309 9.2822 9.2822 k = 0.1373 0.1373-0.0000 ( 5731 PWs) bands (ev): -29.4771 -29.4771 -29.4741 -29.4741 -12.3015 -12.3015 -12.2747 -12.2747 -11.1863 -11.1863 -11.1617 -11.1617 -11.1523 -11.1523 -11.1150 -11.1150 -7.4548 -7.4548 -7.3025 -7.3025 1.3857 1.3857 2.0766 2.0766 2.2030 2.2030 2.7403 2.7403 2.9749 2.9749 3.3588 3.3588 4.3758 4.3758 4.8003 4.8003 8.0948 8.0948 8.6972 8.6972 8.9001 8.9001 9.2874 9.2874 k = 0.1275 0.1275-0.0000 ( 5735 PWs) bands (ev): -29.4773 -29.4773 -29.4742 -29.4742 -12.3000 -12.3000 -12.2730 -12.2730 -11.1832 -11.1832 -11.1600 -11.1600 -11.1485 -11.1485 -11.1145 -11.1145 -7.4698 -7.4698 -7.3135 -7.3135 1.3704 1.3704 2.1214 2.1214 2.2349 2.2349 2.7852 2.7852 3.0192 3.0192 3.3705 3.3705 4.3458 4.3458 4.8042 4.8042 8.0013 8.0013 8.6660 8.6660 8.8712 8.8712 9.2955 9.2955 k = 0.1176 0.1176-0.0000 ( 5733 PWs) bands (ev): -29.4775 -29.4775 -29.4744 -29.4744 -12.2984 -12.2984 -12.2713 -12.2713 -11.1803 -11.1803 -11.1582 -11.1582 -11.1445 -11.1445 -11.1142 -11.1142 -7.4843 -7.4843 -7.3244 -7.3244 1.3556 1.3556 2.1632 2.1632 2.2697 2.2697 2.8306 2.8306 3.0642 3.0642 3.3809 3.3809 4.3145 4.3145 4.8053 4.8053 7.9126 7.9126 8.6431 8.6431 8.8457 8.8457 9.3051 9.3051 k = 0.1078 0.1078-0.0000 ( 5741 PWs) bands (ev): -29.4778 -29.4778 -29.4745 -29.4745 -12.2969 -12.2969 -12.2697 -12.2697 -11.1777 -11.1777 -11.1563 -11.1563 -11.1406 -11.1406 -11.1140 -11.1140 -7.4984 -7.4984 -7.3350 -7.3350 1.3414 1.3414 2.2016 2.2016 2.3066 2.3066 2.8762 2.8762 3.1097 3.1097 3.3898 3.3898 4.2821 4.2821 4.8038 4.8038 7.8292 7.8292 8.6286 8.6286 8.8247 8.8247 9.3153 9.3153 k = 0.0980 0.0980-0.0000 ( 5735 PWs) bands (ev): -29.4780 -29.4780 -29.4747 -29.4747 -12.2955 -12.2955 -12.2683 -12.2683 -11.1755 -11.1755 -11.1541 -11.1541 -11.1368 -11.1368 -11.1140 -11.1140 -7.5117 -7.5117 -7.3452 -7.3452 1.3280 1.3280 2.2368 2.2368 2.3444 2.3444 2.9215 2.9215 3.1554 3.1554 3.3973 3.3973 4.2486 4.2486 4.7999 4.7999 7.7514 7.7514 8.6223 8.6223 8.8086 8.8086 9.3256 9.3256 k = 0.0882 0.0882-0.0000 ( 5741 PWs) bands (ev): -29.4781 -29.4781 -29.4748 -29.4748 -12.2942 -12.2942 -12.2670 -12.2670 -11.1737 -11.1737 -11.1517 -11.1517 -11.1332 -11.1332 -11.1141 -11.1141 -7.5243 -7.5243 -7.3548 -7.3548 1.3156 1.3156 2.2691 2.2691 2.3818 2.3818 2.9663 2.9663 3.2011 3.2011 3.4031 3.4031 4.2143 4.2143 4.7940 4.7940 7.6796 7.6796 8.6240 8.6240 8.7975 8.7975 9.3358 9.3358 k = 0.0784 0.0784-0.0000 ( 5739 PWs) bands (ev): -29.4783 -29.4783 -29.4749 -29.4749 -12.2929 -12.2929 -12.2658 -12.2658 -11.1722 -11.1722 -11.1491 -11.1491 -11.1299 -11.1299 -11.1143 -11.1143 -7.5358 -7.5358 -7.3638 -7.3638 1.3042 1.3042 2.2987 2.2987 2.4175 2.4175 3.0099 3.0099 3.2461 3.2461 3.4076 3.4076 4.1793 4.1793 4.7866 4.7866 7.6142 7.6142 8.6331 8.6331 8.7914 8.7914 9.3461 9.3461 k = 0.0686 0.0686-0.0000 ( 5743 PWs) bands (ev): -29.4785 -29.4785 -29.4750 -29.4750 -12.2918 -12.2918 -12.2647 -12.2647 -11.1710 -11.1710 -11.1465 -11.1465 -11.1268 -11.1268 -11.1147 -11.1147 -7.5464 -7.5464 -7.3720 -7.3720 1.2941 1.2941 2.3255 2.3255 2.4506 2.4506 3.0519 3.0519 3.2895 3.2895 3.4112 3.4112 4.1440 4.1440 4.7781 4.7781 7.5555 7.5555 8.6490 8.6490 8.7898 8.7898 9.3566 9.3566 k = 0.0588 0.0588-0.0000 ( 5749 PWs) bands (ev): -29.4786 -29.4786 -29.4751 -29.4751 -12.2907 -12.2907 -12.2638 -12.2638 -11.1701 -11.1701 -11.1438 -11.1438 -11.1241 -11.1241 -11.1152 -11.1152 -7.5557 -7.5557 -7.3793 -7.3793 1.2851 1.2851 2.3495 2.3495 2.4805 2.4805 3.0917 3.0917 3.3292 3.3292 3.4155 3.4155 4.1088 4.1088 4.7691 4.7691 7.5038 7.5038 8.6708 8.6708 8.7921 8.7921 9.3675 9.3675 k = 0.0490 0.0490-0.0000 ( 5749 PWs) bands (ev): -29.4787 -29.4787 -29.4752 -29.4752 -12.2898 -12.2898 -12.2630 -12.2630 -11.1693 -11.1693 -11.1412 -11.1412 -11.1218 -11.1218 -11.1158 -11.1158 -7.5638 -7.5638 -7.3857 -7.3857 1.2774 1.2774 2.3704 2.3704 2.5065 2.5065 3.1286 3.1286 3.3594 3.3594 3.4253 3.4253 4.0745 4.0745 4.7602 4.7602 7.4595 7.4595 8.6972 8.6972 8.7972 8.7972 9.3790 9.3790 k = 0.0392 0.0392-0.0000 ( 5751 PWs) bands (ev): -29.4788 -29.4788 -29.4752 -29.4752 -12.2891 -12.2891 -12.2624 -12.2624 -11.1688 -11.1688 -11.1388 -11.1388 -11.1199 -11.1199 -11.1165 -11.1165 -7.5705 -7.5705 -7.3910 -7.3910 1.2711 1.2711 2.3880 2.3880 2.5283 2.5283 3.1619 3.1619 3.3733 3.3733 3.4467 3.4467 4.0419 4.0419 4.7520 4.7520 7.4229 7.4229 8.7263 8.7263 8.8042 8.8042 9.3906 9.3906 k = 0.0294 0.0294-0.0000 ( 5753 PWs) bands (ev): -29.4789 -29.4789 -29.4753 -29.4753 -12.2885 -12.2885 -12.2619 -12.2619 -11.1683 -11.1683 -11.1367 -11.1367 -11.1184 -11.1184 -11.1172 -11.1172 -7.5758 -7.5758 -7.3952 -7.3952 1.2661 1.2661 2.4020 2.4020 2.5455 2.5455 3.1905 3.1905 3.3749 3.3749 3.4743 3.4743 4.0127 4.0127 4.7449 4.7449 7.3941 7.3941 8.7557 8.7557 8.8116 8.8116 9.4006 9.4006 k = 0.0196 0.0196-0.0000 ( 5743 PWs) bands (ev): -29.4789 -29.4789 -29.4753 -29.4753 -12.2880 -12.2880 -12.2615 -12.2615 -11.1681 -11.1681 -11.1350 -11.1350 -11.1182 -11.1182 -11.1170 -11.1170 -7.5797 -7.5797 -7.3982 -7.3982 1.2626 1.2626 2.4122 2.4122 2.5579 2.5579 3.2133 3.2133 3.3718 3.3718 3.4994 3.4994 3.9890 3.9890 4.7395 4.7395 7.3734 7.3734 8.7817 8.7817 8.8181 8.8181 9.4057 9.4058 k = 0.0098 0.0098-0.0000 ( 5735 PWs) bands (ev): -29.4789 -29.4789 -29.4753 -29.4753 -12.2878 -12.2878 -12.2613 -12.2613 -11.1679 -11.1679 -11.1338 -11.1338 -11.1186 -11.1186 -11.1164 -11.1164 -7.5820 -7.5820 -7.4001 -7.4001 1.2605 1.2605 2.4184 2.4184 2.5655 2.5655 3.2284 3.2284 3.3681 3.3681 3.5166 3.5166 3.9732 3.9732 4.7361 4.7361 7.3609 7.3609 8.8001 8.8001 8.8225 8.8225 9.4027 9.4027 k = 0.0000 0.0000 0.0000 ( 5723 PWs) bands (ev): -29.4790 -29.4790 -29.4753 -29.4753 -12.2877 -12.2877 -12.2612 -12.2612 -11.1678 -11.1678 -11.1334 -11.1334 -11.1188 -11.1188 -11.1162 -11.1162 -7.5828 -7.5828 -7.4007 -7.4007 1.2597 1.2597 2.4204 2.4204 2.5680 2.5680 3.2338 3.2338 3.3664 3.3664 3.5227 3.5227 3.9676 3.9676 4.7350 4.7350 7.3568 7.3568 8.8068 8.8068 8.8241 8.8241 9.3990 9.3990 k = 0.0000 0.0000 0.0000 ( 5723 PWs) bands (ev): -29.4790 -29.4790 -29.4753 -29.4753 -12.2877 -12.2877 -12.2612 -12.2612 -11.1678 -11.1678 -11.1334 -11.1334 -11.1188 -11.1188 -11.1162 -11.1162 -7.5828 -7.5828 -7.4007 -7.4007 1.2597 1.2597 2.4204 2.4204 2.5680 2.5680 3.2338 3.2338 3.3664 3.3664 3.5227 3.5227 3.9676 3.9676 4.7350 4.7350 7.3568 7.3568 8.8068 8.8068 8.8241 8.8241 9.3990 9.3990 k = 0.0000 0.0000 0.0136 ( 5727 PWs) bands (ev): -29.4790 -29.4790 -29.4753 -29.4753 -12.2877 -12.2877 -12.2612 -12.2612 -11.1678 -11.1678 -11.1334 -11.1334 -11.1189 -11.1189 -11.1162 -11.1162 -7.5826 -7.5826 -7.4009 -7.4009 1.2610 1.2610 2.4165 2.4165 2.5700 2.5700 3.2337 3.2337 3.3560 3.3560 3.5228 3.5228 3.9808 3.9808 4.7351 4.7351 7.3550 7.3550 8.8098 8.8098 8.8245 8.8245 9.3984 9.3984 k = 0.0000 0.0000 0.0272 ( 5735 PWs) bands (ev): -29.4789 -29.4789 -29.4753 -29.4753 -12.2876 -12.2876 -12.2613 -12.2613 -11.1676 -11.1676 -11.1334 -11.1334 -11.1191 -11.1191 -11.1162 -11.1162 -7.5819 -7.5819 -7.4014 -7.4014 1.2647 1.2647 2.4053 2.4053 2.5756 2.5756 3.2335 3.2335 3.3275 3.3275 3.5230 3.5230 4.0176 4.0176 4.7355 4.7355 7.3499 7.3499 8.8187 8.8187 8.8255 8.8255 9.3949 9.3949 k = 0.0000 0.0000 0.0408 ( 5743 PWs) bands (ev): -29.4789 -29.4789 -29.4753 -29.4753 -12.2875 -12.2875 -12.2614 -12.2614 -11.1674 -11.1674 -11.1334 -11.1334 -11.1193 -11.1193 -11.1162 -11.1162 -7.5809 -7.5809 -7.4024 -7.4024 1.2710 1.2710 2.3877 2.3877 2.5835 2.5835 3.2331 3.2331 3.2866 3.2866 3.5233 3.5233 4.0721 4.0721 4.7361 4.7361 7.3417 7.3417 8.8266 8.8266 8.8333 8.8333 9.3825 9.3826 k = 0.0000 0.0000 0.0545 ( 5751 PWs) bands (ev): -29.4789 -29.4789 -29.4753 -29.4753 -12.2874 -12.2874 -12.2615 -12.2615 -11.1671 -11.1671 -11.1333 -11.1333 -11.1197 -11.1197 -11.1163 -11.1163 -7.5795 -7.5795 -7.4036 -7.4036 1.2797 1.2797 2.3648 2.3648 2.5929 2.5929 3.2325 3.2325 3.2392 3.2392 3.5238 3.5238 4.1385 4.1385 4.7369 4.7369 7.3306 7.3306 8.8264 8.8264 8.8531 8.8531 9.3560 9.3560 k = 0.0000 0.0000 0.0681 ( 5739 PWs) bands (ev): -29.4789 -29.4789 -29.4753 -29.4753 -12.2873 -12.2873 -12.2617 -12.2617 -11.1667 -11.1667 -11.1333 -11.1333 -11.1202 -11.1202 -11.1163 -11.1163 -7.5777 -7.5777 -7.4052 -7.4052 1.2910 1.2910 2.3374 2.3374 2.6030 2.6030 3.1895 3.1895 3.2318 3.2318 3.5244 3.5244 4.2124 4.2124 4.7380 4.7380 7.3173 7.3173 8.8231 8.8231 8.8774 8.8774 9.3205 9.3205 k = 0.0000 0.0000 0.0817 ( 5715 PWs) bands (ev): -29.4789 -29.4789 -29.4753 -29.4753 -12.2871 -12.2871 -12.2619 -12.2619 -11.1662 -11.1662 -11.1332 -11.1332 -11.1207 -11.1207 -11.1164 -11.1164 -7.5756 -7.5756 -7.4071 -7.4071 1.3048 1.3048 2.3057 2.3057 2.6133 2.6133 3.1402 3.1402 3.2311 3.2311 3.5251 3.5251 4.2907 4.2907 4.7392 4.7392 7.3021 7.3021 8.8144 8.8144 8.9056 8.9056 9.2846 9.2846 k = 0.0000 0.0000 0.0953 ( 5711 PWs) bands (ev): -29.4789 -29.4789 -29.4754 -29.4754 -12.2869 -12.2869 -12.2621 -12.2621 -11.1656 -11.1656 -11.1332 -11.1332 -11.1214 -11.1214 -11.1164 -11.1164 -7.5732 -7.5732 -7.4092 -7.4092 1.3211 1.3211 2.2703 2.2703 2.6237 2.6237 3.0930 3.0930 3.2302 3.2302 3.5259 3.5259 4.3711 4.3711 4.7406 4.7406 7.2856 7.2856 8.7976 8.7976 8.9367 8.9367 9.2542 9.2542 k = 0.0000 0.0000 0.1089 ( 5715 PWs) bands (ev): -29.4789 -29.4789 -29.4754 -29.4754 -12.2866 -12.2866 -12.2623 -12.2623 -11.1650 -11.1650 -11.1331 -11.1331 -11.1221 -11.1221 -11.1165 -11.1165 -7.5705 -7.5705 -7.4116 -7.4116 1.3398 1.3398 2.2313 2.2313 2.6339 2.6339 3.0489 3.0489 3.2293 3.2293 3.5267 3.5267 4.4519 4.4519 4.7421 4.7421 7.2684 7.2684 8.7711 8.7711 8.9700 8.9700 9.2332 9.2332 k = 0.0000 0.0000 0.1225 ( 5718 PWs) bands (ev): -29.4789 -29.4789 -29.4754 -29.4754 -12.2864 -12.2864 -12.2626 -12.2626 -11.1643 -11.1643 -11.1330 -11.1330 -11.1229 -11.1229 -11.1166 -11.1166 -7.5676 -7.5676 -7.4142 -7.4142 1.3611 1.3611 2.1893 2.1893 2.6440 2.6440 3.0086 3.0086 3.2283 3.2283 3.5275 3.5275 4.5316 4.5316 4.7437 4.7437 7.2510 7.2510 8.7347 8.7347 9.0045 9.0045 9.2231 9.2231 k = 0.0000 0.0000 0.1361 ( 5730 PWs) bands (ev): -29.4789 -29.4789 -29.4754 -29.4754 -12.2861 -12.2861 -12.2628 -12.2628 -11.1636 -11.1636 -11.1330 -11.1330 -11.1237 -11.1237 -11.1166 -11.1166 -7.5646 -7.5646 -7.4169 -7.4169 1.3849 1.3849 2.1446 2.1446 2.6539 2.6539 2.9721 2.9721 3.2274 3.2274 3.5284 3.5284 4.6090 4.6090 4.7453 4.7453 7.2339 7.2339 8.6905 8.6905 9.0394 9.0394 9.2228 9.2228 k = 0.0000 0.0000 0.1497 ( 5710 PWs) bands (ev): -29.4789 -29.4789 -29.4754 -29.4754 -12.2859 -12.2859 -12.2631 -12.2631 -11.1629 -11.1629 -11.1329 -11.1329 -11.1245 -11.1245 -11.1167 -11.1167 -7.5615 -7.5615 -7.4197 -7.4197 1.4111 1.4111 2.0978 2.0978 2.6637 2.6637 2.9395 2.9395 3.2264 3.2264 3.5292 3.5292 4.6829 4.6829 4.7469 4.7469 7.2174 7.2174 8.6417 8.6417 9.0739 9.0739 9.2300 9.2300 k = 0.0000 0.0000 0.1634 ( 5706 PWs) bands (ev): -29.4789 -29.4789 -29.4754 -29.4754 -12.2856 -12.2856 -12.2633 -12.2633 -11.1622 -11.1622 -11.1328 -11.1328 -11.1253 -11.1253 -11.1168 -11.1168 -7.5584 -7.5584 -7.4226 -7.4226 1.4398 1.4398 2.0495 2.0495 2.6734 2.6734 2.9105 2.9105 3.2255 3.2255 3.5300 3.5300 4.7484 4.7484 4.7519 4.7519 7.2020 7.2020 8.5914 8.5914 9.1068 9.1068 9.2420 9.2420 k = 0.0000 0.0000 0.1770 ( 5706 PWs) bands (ev): -29.4789 -29.4789 -29.4754 -29.4754 -12.2854 -12.2854 -12.2636 -12.2636 -11.1615 -11.1615 -11.1328 -11.1328 -11.1261 -11.1261 -11.1168 -11.1168 -7.5554 -7.5554 -7.4253 -7.4253 1.4708 1.4708 2.0002 2.0002 2.6829 2.6829 2.8850 2.8850 3.2247 3.2247 3.5308 3.5308 4.7498 4.7498 4.8151 4.8151 7.1880 7.1880 8.5423 8.5423 9.1375 9.1375 9.2566 9.2566 k = 0.0000 0.0000 0.1906 ( 5678 PWs) bands (ev): -29.4789 -29.4789 -29.4754 -29.4754 -12.2852 -12.2852 -12.2638 -12.2638 -11.1608 -11.1608 -11.1327 -11.1327 -11.1268 -11.1268 -11.1169 -11.1169 -7.5526 -7.5526 -7.4278 -7.4278 1.5042 1.5042 1.9505 1.9505 2.6922 2.6922 2.8627 2.8627 3.2239 3.2239 3.5314 3.5314 4.7511 4.7511 4.8710 4.8710 7.1757 7.1757 8.4969 8.4969 9.1652 9.1652 9.2720 9.2720 k = 0.0000 0.0000 0.2042 ( 5682 PWs) bands (ev): -29.4789 -29.4789 -29.4754 -29.4754 -12.2850 -12.2850 -12.2640 -12.2640 -11.1603 -11.1603 -11.1327 -11.1327 -11.1275 -11.1275 -11.1169 -11.1169 -7.5501 -7.5501 -7.4301 -7.4301 1.5397 1.5397 1.9010 1.9010 2.7012 2.7012 2.8434 2.8434 3.2233 3.2233 3.5320 3.5320 4.7522 4.7522 4.9187 4.9187 7.1653 7.1653 8.4571 8.4571 9.1890 9.1890 9.2865 9.2865 k = 0.0000 0.0000 0.2178 ( 5686 PWs) bands (ev): -29.4789 -29.4789 -29.4754 -29.4754 -12.2848 -12.2848 -12.2642 -12.2642 -11.1598 -11.1598 -11.1326 -11.1326 -11.1280 -11.1280 -11.1170 -11.1170 -7.5481 -7.5481 -7.4321 -7.4321 1.5772 1.5772 1.8522 1.8522 2.7096 2.7096 2.8272 2.8272 3.2228 3.2228 3.5324 3.5324 4.7531 4.7531 4.9571 4.9571 7.1570 7.1570 8.4244 8.4244 9.2082 9.2082 9.2990 9.2990 k = 0.0000 0.0000 0.2314 ( 5694 PWs) bands (ev): -29.4789 -29.4789 -29.4754 -29.4754 -12.2847 -12.2847 -12.2643 -12.2643 -11.1594 -11.1594 -11.1326 -11.1326 -11.1284 -11.1284 -11.1170 -11.1170 -7.5465 -7.5465 -7.4335 -7.4335 1.6162 1.6162 1.8050 1.8050 2.7169 2.7169 2.8145 2.8145 3.2224 3.2224 3.5327 3.5327 4.7537 4.7537 4.9852 4.9852 7.1510 7.1510 8.4001 8.4001 9.2224 9.2224 9.3086 9.3086 k = 0.0000 0.0000 0.2450 ( 5702 PWs) bands (ev): -29.4789 -29.4789 -29.4754 -29.4754 -12.2847 -12.2847 -12.2644 -12.2644 -11.1592 -11.1592 -11.1326 -11.1326 -11.1287 -11.1287 -11.1170 -11.1170 -7.5455 -7.5455 -7.4345 -7.4345 1.6548 1.6548 1.7613 1.7613 2.7223 2.7223 2.8060 2.8060 3.2222 3.2222 3.5329 3.5329 4.7541 4.7541 5.0023 5.0023 7.1473 7.1473 8.3852 8.3852 9.2311 9.2311 9.3146 9.3146 k = 0.0000 0.0000 0.2586 ( 5690 PWs) bands (ev): -29.4789 -29.4789 -29.4754 -29.4754 -12.2846 -12.2846 -12.2644 -12.2644 -11.1591 -11.1591 -11.1326 -11.1326 -11.1288 -11.1288 -11.1170 -11.1170 -7.5452 -7.5452 -7.4348 -7.4348 1.6790 1.6790 1.7354 1.7354 2.7242 2.7242 2.8030 2.8030 3.2221 3.2221 3.5330 3.5330 4.7543 4.7543 5.0081 5.0081 7.1461 7.1461 8.3801 8.3801 9.2340 9.2340 9.3167 9.3167 k = 0.0000 0.0000 0.2586 ( 5690 PWs) bands (ev): -29.4789 -29.4789 -29.4754 -29.4754 -12.2846 -12.2846 -12.2644 -12.2644 -11.1591 -11.1591 -11.1326 -11.1326 -11.1288 -11.1288 -11.1170 -11.1170 -7.5452 -7.5452 -7.4348 -7.4348 1.6790 1.6790 1.7354 1.7354 2.7242 2.7242 2.8030 2.8030 3.2221 3.2221 3.5330 3.5330 4.7543 4.7543 5.0081 5.0081 7.1461 7.1461 8.3801 8.3801 9.2340 9.2340 9.3167 9.3167 k = 0.0000 0.0139 0.2586 ( 5690 PWs) bands (ev): -29.4788 -29.4788 -29.4754 -29.4754 -12.2847 -12.2847 -12.2644 -12.2644 -11.1592 -11.1592 -11.1336 -11.1336 -11.1279 -11.1279 -11.1172 -11.1172 -7.5445 -7.5445 -7.4341 -7.4341 1.6758 1.6758 1.7382 1.7382 2.7228 2.7228 2.8009 2.8009 3.2206 3.2206 3.5292 3.5292 4.7554 4.7554 5.0079 5.0079 7.1506 7.1506 8.3852 8.3852 9.2210 9.2210 9.3179 9.3179 k = 0.0000 0.0278 0.2586 ( 5690 PWs) bands (ev): -29.4788 -29.4788 -29.4754 -29.4754 -12.2850 -12.2850 -12.2646 -12.2646 -11.1595 -11.1595 -11.1357 -11.1357 -11.1263 -11.1263 -11.1179 -11.1179 -7.5423 -7.5423 -7.4320 -7.4320 1.6674 1.6674 1.7452 1.7452 2.7185 2.7185 2.7947 2.7947 3.2163 3.2163 3.5179 3.5179 4.7587 4.7587 5.0070 5.0070 7.1639 7.1639 8.4000 8.4000 9.1879 9.1879 9.3215 9.3215 k = 0.0000 0.0417 0.2586 ( 5700 PWs) bands (ev): -29.4788 -29.4788 -29.4754 -29.4754 -12.2855 -12.2855 -12.2649 -12.2649 -11.1600 -11.1600 -11.1380 -11.1380 -11.1250 -11.1250 -11.1188 -11.1188 -7.5388 -7.5388 -7.4286 -7.4286 1.6557 1.6557 1.7545 1.7545 2.7108 2.7108 2.7849 2.7849 3.2091 3.2091 3.4996 3.4996 4.7638 4.7638 5.0057 5.0057 7.1859 7.1859 8.4238 8.4238 9.1456 9.1456 9.3274 9.3274 k = 0.0000 0.0556 0.2586 ( 5700 PWs) bands (ev): -29.4787 -29.4787 -29.4753 -29.4753 -12.2862 -12.2862 -12.2654 -12.2654 -11.1610 -11.1610 -11.1402 -11.1402 -11.1244 -11.1244 -11.1195 -11.1195 -7.5339 -7.5339 -7.4239 -7.4239 1.6417 1.6417 1.7650 1.7650 2.6991 2.6991 2.7725 2.7725 3.1994 3.1994 3.4754 3.4754 4.7703 4.7703 5.0037 5.0037 7.2162 7.2162 8.4551 8.4551 9.1023 9.1023 9.3355 9.3355 k = 0.0000 0.0694 0.2586 ( 5696 PWs) bands (ev): -29.4786 -29.4786 -29.4752 -29.4752 -12.2871 -12.2871 -12.2659 -12.2659 -11.1625 -11.1625 -11.1421 -11.1421 -11.1253 -11.1253 -11.1194 -11.1194 -7.5276 -7.5276 -7.4179 -7.4179 1.6258 1.6258 1.7760 1.7760 2.6822 2.6822 2.7588 2.7588 3.1873 3.1873 3.4462 3.4462 4.7777 4.7777 5.0011 5.0011 7.2546 7.2546 8.4917 8.4917 9.0639 9.0639 9.3458 9.3458 k = 0.0000 0.0833 0.2586 ( 5710 PWs) bands (ev): -29.4785 -29.4785 -29.4752 -29.4752 -12.2881 -12.2881 -12.2666 -12.2666 -11.1647 -11.1647 -11.1435 -11.1435 -11.1274 -11.1274 -11.1186 -11.1186 -7.5200 -7.5200 -7.4107 -7.4107 1.6081 1.6081 1.7874 1.7874 2.6591 2.6591 2.7450 2.7450 3.1733 3.1733 3.4133 3.4133 4.7852 4.7852 4.9979 4.9979 7.3004 7.3004 8.5298 8.5298 9.0356 9.0356 9.3580 9.3580 k = 0.0000 0.0972 0.2586 ( 5716 PWs) bands (ev): -29.4784 -29.4784 -29.4751 -29.4751 -12.2893 -12.2893 -12.2675 -12.2675 -11.1678 -11.1678 -11.1445 -11.1445 -11.1303 -11.1303 -11.1176 -11.1176 -7.5112 -7.5112 -7.4024 -7.4024 1.5886 1.5886 1.7988 1.7988 2.6297 2.6297 2.7319 2.7319 3.1574 3.1574 3.3780 3.3780 4.7925 4.7925 4.9939 4.9939 7.3531 7.3531 8.5646 8.5646 9.0228 9.0228 9.3720 9.3720 k = 0.0000 0.1111 0.2586 ( 5722 PWs) bands (ev): -29.4782 -29.4782 -29.4750 -29.4750 -12.2906 -12.2906 -12.2684 -12.2684 -11.1715 -11.1715 -11.1449 -11.1449 -11.1337 -11.1337 -11.1165 -11.1165 -7.5011 -7.5011 -7.3929 -7.3929 1.5671 1.5671 1.8100 1.8100 2.5943 2.5943 2.7197 2.7197 3.1400 3.1400 3.3414 3.3414 4.7991 4.7991 4.9891 4.9891 7.4122 7.4122 8.5904 8.5904 9.0311 9.0311 9.3871 9.3871 k = 0.0000 0.1250 0.2586 ( 5724 PWs) bands (ev): -29.4781 -29.4781 -29.4749 -29.4749 -12.2921 -12.2921 -12.2695 -12.2695 -11.1759 -11.1759 -11.1451 -11.1451 -11.1373 -11.1373 -11.1155 -11.1155 -7.4900 -7.4900 -7.3825 -7.3825 1.5436 1.5436 1.8208 1.8208 2.5540 2.5540 2.7082 2.7082 3.1213 3.1213 3.3046 3.3046 4.8043 4.8043 4.9835 4.9835 7.4771 7.4771 8.6043 8.6043 9.0632 9.0632 9.3735 9.3735 k = 0.0000 0.1389 0.2586 ( 5728 PWs) bands (ev): -29.4779 -29.4779 -29.4748 -29.4748 -12.2937 -12.2937 -12.2708 -12.2708 -11.1807 -11.1807 -11.1457 -11.1457 -11.1406 -11.1406 -11.1145 -11.1145 -7.4778 -7.4778 -7.3711 -7.3711 1.5181 1.5181 1.8305 1.8305 2.5098 2.5098 2.6974 2.6974 3.1015 3.1015 3.2687 3.2687 4.8081 4.8081 4.9769 4.9769 7.5471 7.5471 8.6076 8.6076 9.1168 9.1168 9.3602 9.3602 k = 0.0000 0.1528 0.2586 ( 5738 PWs) bands (ev): -29.4777 -29.4777 -29.4746 -29.4746 -12.2954 -12.2954 -12.2722 -12.2722 -11.1858 -11.1858 -11.1485 -11.1485 -11.1419 -11.1419 -11.1135 -11.1135 -7.4646 -7.4646 -7.3589 -7.3589 1.4906 1.4906 1.8387 1.8387 2.4632 2.4632 2.6872 2.6872 3.0809 3.0809 3.2342 3.2342 4.8100 4.8100 4.9693 4.9693 7.6217 7.6217 8.6047 8.6047 9.1866 9.1866 9.3509 9.3509 k = 0.0000 0.1667 0.2586 ( 5730 PWs) bands (ev): -29.4775 -29.4775 -29.4745 -29.4745 -12.2971 -12.2971 -12.2738 -12.2738 -11.1912 -11.1912 -11.1529 -11.1529 -11.1416 -11.1416 -11.1126 -11.1126 -7.4505 -7.4505 -7.3460 -7.3460 1.4611 1.4611 1.8443 1.8443 2.4156 2.4156 2.6777 2.6777 3.0595 3.0595 3.2017 3.2017 4.8098 4.8098 4.9606 4.9606 7.7004 7.7004 8.6000 8.6000 9.2667 9.2667 9.3458 9.3458 k = 0.0000 0.1806 0.2586 ( 5730 PWs) bands (ev): -29.4773 -29.4773 -29.4744 -29.4744 -12.2990 -12.2990 -12.2755 -12.2755 -11.1968 -11.1968 -11.1580 -11.1580 -11.1407 -11.1407 -11.1118 -11.1118 -7.4356 -7.4356 -7.3325 -7.3325 1.4299 1.4299 1.8460 1.8460 2.3691 2.3691 2.6689 2.6689 3.0378 3.0378 3.1717 3.1717 4.8076 4.8076 4.9507 4.9507 7.7825 7.7825 8.5967 8.5967 9.3401 9.3401 9.3564 9.3564 k = 0.0000 0.1944 0.2586 ( 5738 PWs) bands (ev): -29.4771 -29.4771 -29.4742 -29.4742 -12.3009 -12.3009 -12.2773 -12.2773 -11.2025 -11.2025 -11.1635 -11.1635 -11.1396 -11.1396 -11.1110 -11.1110 -7.4200 -7.4200 -7.3185 -7.3185 1.3970 1.3970 1.8423 1.8423 2.3259 2.3259 2.6608 2.6608 3.0158 3.0158 3.1443 3.1443 4.8032 4.8032 4.9395 4.9395 7.8677 7.8677 8.5966 8.5966 9.3453 9.3453 9.4336 9.4336 k = 0.0000 0.2083 0.2586 ( 5734 PWs) bands (ev): -29.4768 -29.4768 -29.4741 -29.4741 -12.3028 -12.3028 -12.2792 -12.2792 -11.2082 -11.2082 -11.1692 -11.1692 -11.1384 -11.1384 -11.1102 -11.1102 -7.4038 -7.4038 -7.3042 -7.3042 1.3629 1.3629 1.8311 1.8311 2.2886 2.2886 2.6534 2.6534 2.9941 2.9941 3.1195 3.1195 4.7967 4.7967 4.9270 4.9270 7.9553 7.9553 8.6012 8.6012 9.3513 9.3513 9.4473 9.4473 k = 0.0000 0.2222 0.2586 ( 5730 PWs) bands (ev): -29.4766 -29.4766 -29.4739 -29.4739 -12.3047 -12.3047 -12.2813 -12.2813 -11.2138 -11.2138 -11.1750 -11.1750 -11.1370 -11.1370 -11.1095 -11.1095 -7.3871 -7.3871 -7.2896 -7.2896 1.3278 1.3278 1.8108 1.8108 2.2594 2.2594 2.6466 2.6466 2.9728 2.9728 3.0973 3.0973 4.7881 4.7881 4.9131 4.9131 8.0450 8.0450 8.6109 8.6109 9.3606 9.3606 9.4176 9.4176 k = 0.0000 0.2361 0.2586 ( 5742 PWs) bands (ev): -29.4763 -29.4763 -29.4738 -29.4738 -12.3067 -12.3067 -12.2835 -12.2835 -11.2194 -11.2194 -11.1810 -11.1810 -11.1356 -11.1356 -11.1089 -11.1089 -7.3700 -7.3700 -7.2749 -7.2749 1.2920 1.2920 1.7806 1.7806 2.2396 2.2396 2.6401 2.6401 2.9526 2.9526 3.0777 3.0777 4.7777 4.7777 4.8977 4.8977 8.1362 8.1362 8.6262 8.6262 9.3697 9.3697 9.3801 9.3801 k = 0.0000 0.2500 0.2586 ( 5748 PWs) bands (ev): -29.4761 -29.4761 -29.4737 -29.4737 -12.3086 -12.3086 -12.2857 -12.2857 -11.2249 -11.2249 -11.1870 -11.1870 -11.1341 -11.1341 -11.1083 -11.1083 -7.3527 -7.3527 -7.2602 -7.2602 1.2560 1.2560 1.7412 1.7412 2.2290 2.2290 2.6338 2.6338 2.9337 2.9337 3.0603 3.0603 4.7655 4.7655 4.8810 4.8810 8.2286 8.2286 8.6471 8.6471 9.3308 9.3308 9.3908 9.3908 k = 0.0000 0.2639 0.2586 ( 5750 PWs) bands (ev): -29.4758 -29.4758 -29.4735 -29.4735 -12.3105 -12.3105 -12.2881 -12.2881 -11.2302 -11.2302 -11.1930 -11.1930 -11.1326 -11.1326 -11.1077 -11.1077 -7.3352 -7.3352 -7.2456 -7.2456 1.2201 1.2201 1.6945 1.6945 2.2261 2.2261 2.6273 2.6273 2.9166 2.9166 3.0452 3.0452 4.7517 4.7517 4.8630 4.8630 8.3218 8.3218 8.6733 8.6733 9.2870 9.2870 9.4100 9.4100 k = 0.0000 0.2778 0.2586 ( 5748 PWs) bands (ev): -29.4756 -29.4756 -29.4734 -29.4734 -12.3124 -12.3124 -12.2905 -12.2905 -11.2353 -11.2353 -11.1991 -11.1991 -11.1310 -11.1310 -11.1072 -11.1072 -7.3177 -7.3177 -7.2313 -7.2313 1.1848 1.1848 1.6425 1.6425 2.2291 2.2291 2.6205 2.6205 2.9017 2.9017 3.0322 3.0322 4.7366 4.7366 4.8437 4.8437 8.4152 8.4152 8.7046 8.7046 9.2454 9.2454 9.4325 9.4325 k = 0.0000 0.2917 0.2586 ( 5756 PWs) bands (ev): -29.4753 -29.4753 -29.4732 -29.4732 -12.3142 -12.3142 -12.2930 -12.2930 -11.2401 -11.2401 -11.2051 -11.2051 -11.1294 -11.1294 -11.1067 -11.1067 -7.3003 -7.3003 -7.2173 -7.2173 1.1504 1.1504 1.5873 1.5873 2.2364 2.2364 2.6128 2.6128 2.8894 2.8894 3.0211 3.0211 4.7205 4.7205 4.8234 4.8234 8.5086 8.5086 8.7404 8.7404 9.2071 9.2071 9.4579 9.4579 k = 0.0000 0.3056 0.2586 ( 5744 PWs) bands (ev): -29.4751 -29.4751 -29.4731 -29.4731 -12.3159 -12.3159 -12.2954 -12.2954 -11.2446 -11.2446 -11.2109 -11.2109 -11.1278 -11.1278 -11.1063 -11.1063 -7.2831 -7.2831 -7.2039 -7.2039 1.1174 1.1174 1.5305 1.5305 2.2466 2.2466 2.6043 2.6043 2.8798 2.8798 3.0119 3.0119 4.7036 4.7036 4.8021 4.8021 8.6012 8.6012 8.7800 8.7800 9.1726 9.1726 9.4860 9.4860 k = 0.0000 0.3194 0.2586 ( 5760 PWs) bands (ev): -29.4748 -29.4748 -29.4730 -29.4730 -12.3175 -12.3175 -12.2980 -12.2980 -11.2488 -11.2488 -11.2167 -11.2167 -11.1263 -11.1263 -11.1060 -11.1060 -7.2661 -7.2661 -7.1910 -7.1910 1.0860 1.0860 1.4734 1.4734 2.2586 2.2586 2.5946 2.5946 2.8731 2.8731 3.0043 3.0043 4.6861 4.6861 4.7801 4.7801 8.6928 8.6928 8.8224 8.8224 9.1424 9.1424 9.5167 9.5167 k = 0.0000 0.3333 0.2586 ( 5772 PWs) bands (ev): -29.4746 -29.4746 -29.4729 -29.4729 -12.3190 -12.3190 -12.3005 -12.3005 -11.2527 -11.2527 -11.2223 -11.2223 -11.1247 -11.1247 -11.1058 -11.1058 -7.2496 -7.2496 -7.1789 -7.1789 1.0568 1.0568 1.4169 1.4169 2.2716 2.2716 2.5838 2.5838 2.8694 2.8694 2.9982 2.9982 4.6685 4.6685 4.7577 4.7577 8.7824 8.7824 8.8668 8.8668 9.1168 9.1168 9.5497 9.5497 k = 0.0000 0.3472 0.2586 ( 5764 PWs) bands (ev): -29.4744 -29.4744 -29.4728 -29.4728 -12.3203 -12.3203 -12.3029 -12.3029 -11.2562 -11.2562 -11.2277 -11.2277 -11.1231 -11.1231 -11.1056 -11.1056 -7.2337 -7.2337 -7.1677 -7.1677 1.0299 1.0299 1.3618 1.3618 2.2852 2.2852 2.5719 2.5719 2.8685 2.8685 2.9933 2.9933 4.6510 4.6510 4.7350 4.7350 8.8685 8.8685 8.9125 8.9125 9.0962 9.0962 9.5849 9.5849 k = 0.0000 0.3611 0.2586 ( 5758 PWs) bands (ev): -29.4742 -29.4742 -29.4727 -29.4727 -12.3215 -12.3215 -12.3054 -12.3054 -11.2593 -11.2593 -11.2328 -11.2328 -11.1216 -11.1216 -11.1055 -11.1055 -7.2184 -7.2184 -7.1573 -7.1573 1.0057 1.0057 1.3087 1.3087 2.2989 2.2989 2.5592 2.5592 2.8702 2.8702 2.9895 2.9895 4.6339 4.6339 4.7124 4.7124 8.9416 8.9416 8.9656 8.9656 9.0823 9.0823 9.6219 9.6219 k = 0.0000 0.3750 0.2586 ( 5746 PWs) bands (ev): -29.4739 -29.4739 -29.4726 -29.4726 -12.3225 -12.3225 -12.3077 -12.3077 -11.2620 -11.2620 -11.2377 -11.2377 -11.1201 -11.1201 -11.1055 -11.1055 -7.2039 -7.2039 -7.1480 -7.1480 0.9845 0.9845 1.2581 1.2581 2.3125 2.3125 2.5458 2.5458 2.8741 2.8741 2.9864 2.9864 4.6177 4.6177 4.6902 4.6902 8.9876 8.9876 9.0268 9.0268 9.0861 9.0861 9.6605 9.6605 k = 0.0000 0.3889 0.2586 ( 5734 PWs) bands (ev): -29.4737 -29.4737 -29.4725 -29.4725 -12.3234 -12.3234 -12.3100 -12.3100 -11.2643 -11.2643 -11.2423 -11.2423 -11.1186 -11.1186 -11.1055 -11.1055 -7.1902 -7.1902 -7.1399 -7.1399 0.9665 0.9665 1.2103 1.2103 2.3258 2.3258 2.5320 2.5320 2.8799 2.8799 2.9837 2.9837 4.6026 4.6026 4.6687 4.6687 9.0211 9.0211 9.0462 9.0462 9.1411 9.1411 9.7004 9.7004 k = 0.0000 0.4028 0.2586 ( 5720 PWs) bands (ev): -29.4735 -29.4735 -29.4725 -29.4725 -12.3241 -12.3241 -12.3122 -12.3122 -11.2662 -11.2662 -11.2467 -11.2467 -11.1172 -11.1172 -11.1057 -11.1057 -7.1775 -7.1775 -7.1329 -7.1329 0.9520 0.9520 1.1657 1.1657 2.3388 2.3388 2.5180 2.5180 2.8872 2.8872 2.9812 2.9812 4.5890 4.5890 4.6481 4.6481 9.0351 9.0351 9.0612 9.0612 9.2146 9.2146 9.7412 9.7412 k = 0.0000 0.4167 0.2586 ( 5724 PWs) bands (ev): -29.4733 -29.4733 -29.4725 -29.4725 -12.3246 -12.3246 -12.3142 -12.3142 -11.2676 -11.2676 -11.2506 -11.2506 -11.1158 -11.1158 -11.1059 -11.1059 -7.1658 -7.1658 -7.1271 -7.1271 0.9410 0.9410 1.1245 1.1245 2.3514 2.3514 2.5039 2.5039 2.8956 2.8956 2.9787 2.9787 4.5771 4.5771 4.6289 4.6289 9.0376 9.0376 9.0811 9.0811 9.2878 9.2878 9.7824 9.7824 k = 0.0000 0.4306 0.2586 ( 5730 PWs) bands (ev): -29.4732 -29.4732 -29.4724 -29.4724 -12.3248 -12.3248 -12.3161 -12.3161 -11.2686 -11.2686 -11.2543 -11.2543 -11.1146 -11.1146 -11.1062 -11.1062 -7.1552 -7.1552 -7.1227 -7.1227 0.9338 0.9338 1.0870 1.0870 2.3638 2.3638 2.4900 2.4900 2.9048 2.9048 2.9757 2.9757 4.5673 4.5673 4.6112 4.6112 9.0407 9.0407 9.0952 9.0952 9.3582 9.3582 9.7791 9.7791 k = 0.0000 0.4444 0.2586 ( 5732 PWs) bands (ev): -29.4730 -29.4730 -29.4724 -29.4724 -12.3249 -12.3249 -12.3179 -12.3179 -11.2691 -11.2691 -11.2576 -11.2576 -11.1133 -11.1133 -11.1067 -11.1067 -7.1459 -7.1459 -7.1196 -7.1196 0.9306 0.9306 1.0532 1.0532 2.3759 2.3759 2.4762 2.4762 2.9143 2.9143 2.9722 2.9722 4.5598 4.5598 4.5954 4.5954 9.0461 9.0461 9.1025 9.1025 9.4249 9.4249 9.7617 9.7617 k = 0.0000 0.4583 0.2586 ( 5732 PWs) bands (ev): -29.4729 -29.4729 -29.4725 -29.4725 -12.3248 -12.3248 -12.3194 -12.3194 -11.2692 -11.2692 -11.2605 -11.2605 -11.1122 -11.1122 -11.1072 -11.1072 -7.1377 -7.1377 -7.1180 -7.1180 0.9313 0.9313 1.0234 1.0234 2.3880 2.3880 2.4628 2.4628 2.9238 2.9238 2.9679 2.9679 4.5547 4.5547 4.5818 4.5818 9.0535 9.0535 9.1036 9.1036 9.4872 9.4872 9.7405 9.7405 k = 0.0000 0.4722 0.2586 ( 5724 PWs) bands (ev): -29.4728 -29.4728 -29.4725 -29.4725 -12.3244 -12.3244 -12.3208 -12.3208 -11.2688 -11.2688 -11.2630 -11.2630 -11.1112 -11.1112 -11.1078 -11.1078 -7.1310 -7.1310 -7.1177 -7.1177 0.9362 0.9362 0.9976 0.9976 2.4000 2.4000 2.4497 2.4497 2.9330 2.9330 2.9628 2.9628 4.5524 4.5524 4.5706 4.5706 9.0627 9.0627 9.0999 9.0999 9.5445 9.5445 9.7141 9.7141 k = 0.0000 0.4861 0.2586 ( 5732 PWs) bands (ev): -29.4727 -29.4727 -29.4725 -29.4725 -12.3238 -12.3238 -12.3220 -12.3220 -11.2680 -11.2680 -11.2651 -11.2651 -11.1102 -11.1102 -11.1085 -11.1085 -7.1255 -7.1255 -7.1189 -7.1189 0.9453 0.9453 0.9760 0.9760 2.4121 2.4121 2.4369 2.4369 2.9417 2.9417 2.9567 2.9567 4.5528 4.5528 4.5619 4.5619 9.0728 9.0728 9.0926 9.0926 9.5964 9.5964 9.6815 9.6815 k = 0.0000 0.5000 0.2586 ( 5720 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3230 -12.3230 -12.3230 -12.3230 -11.2667 -11.2667 -11.2667 -11.2667 -11.1093 -11.1093 -11.1093 -11.1093 -7.1215 -7.1215 -7.1215 -7.1215 0.9585 0.9585 0.9585 0.9585 2.4243 2.4243 2.4243 2.4243 2.9496 2.9496 2.9496 2.9496 4.5560 4.5560 4.5560 4.5560 9.0832 9.0832 9.0832 9.0832 9.6422 9.6422 9.6422 9.6422 k = 0.0000 0.5000 0.2586 ( 5720 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3230 -12.3230 -12.3230 -12.3230 -11.2667 -11.2667 -11.2667 -11.2667 -11.1093 -11.1093 -11.1093 -11.1093 -7.1215 -7.1215 -7.1215 -7.1215 0.9585 0.9585 0.9585 0.9585 2.4243 2.4243 2.4243 2.4243 2.9496 2.9496 2.9496 2.9496 4.5560 4.5560 4.5560 4.5560 9.0832 9.0832 9.0832 9.0832 9.6422 9.6422 9.6422 9.6422 k = 0.0139 0.5000 0.2586 ( 5716 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3232 -12.3232 -12.3228 -12.3228 -11.2670 -11.2670 -11.2663 -11.2663 -11.1100 -11.1100 -11.1089 -11.1089 -7.1218 -7.1218 -7.1218 -7.1218 0.9585 0.9585 0.9610 0.9610 2.4158 2.4158 2.4314 2.4314 2.9403 2.9403 2.9577 2.9577 4.5518 4.5518 4.5599 4.5599 9.0818 9.0818 9.0852 9.0852 9.6433 9.6433 9.6451 9.6451 k = 0.0278 0.5000 0.2586 ( 5724 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3233 -12.3233 -12.3226 -12.3226 -11.2670 -11.2670 -11.2657 -11.2657 -11.1109 -11.1109 -11.1087 -11.1087 -7.1226 -7.1226 -7.1226 -7.1226 0.9609 0.9609 0.9658 0.9658 2.4061 2.4061 2.4370 2.4370 2.9297 2.9297 2.9644 2.9644 4.5474 4.5474 4.5636 4.5636 9.0812 9.0812 9.0878 9.0878 9.6484 9.6484 9.6521 9.6521 k = 0.0417 0.5000 0.2586 ( 5728 PWs) bands (ev): -29.4725 -29.4725 -29.4725 -29.4725 -12.3235 -12.3235 -12.3224 -12.3224 -11.2669 -11.2669 -11.2650 -11.2650 -11.1120 -11.1120 -11.1088 -11.1088 -7.1240 -7.1240 -7.1240 -7.1240 0.9657 0.9657 0.9731 0.9731 2.3952 2.3952 2.4408 2.4408 2.9183 2.9183 2.9696 2.9696 4.5428 4.5428 4.5668 4.5668 9.0812 9.0812 9.0910 9.0910 9.6574 9.6574 9.6629 9.6629 k = 0.0556 0.5000 0.2586 ( 5724 PWs) bands (ev): -29.4725 -29.4725 -29.4725 -29.4725 -12.3236 -12.3236 -12.3222 -12.3222 -11.2666 -11.2666 -11.2640 -11.2640 -11.1134 -11.1134 -11.1091 -11.1091 -7.1259 -7.1259 -7.1258 -7.1258 0.9728 0.9728 0.9828 0.9828 2.3834 2.3834 2.4426 2.4426 2.9062 2.9062 2.9733 2.9733 4.5380 4.5380 4.5696 4.5696 9.0819 9.0819 9.0947 9.0947 9.6700 9.6700 9.6772 9.6772 k = 0.0694 0.5000 0.2586 ( 5724 PWs) bands (ev): -29.4724 -29.4724 -29.4724 -29.4724 -12.3236 -12.3236 -12.3219 -12.3219 -11.2661 -11.2661 -11.2629 -11.2629 -11.1149 -11.1149 -11.1096 -11.1096 -7.1283 -7.1283 -7.1283 -7.1283 0.9820 0.9820 0.9948 0.9948 2.3708 2.3708 2.4423 2.4423 2.8939 2.8939 2.9757 2.9757 4.5329 4.5329 4.5717 4.5717 9.0832 9.0832 9.0988 9.0988 9.6860 9.6860 9.6946 9.6946 k = 0.0833 0.5000 0.2586 ( 5732 PWs) bands (ev): -29.4723 -29.4723 -29.4723 -29.4723 -12.3237 -12.3237 -12.3217 -12.3217 -11.2655 -11.2655 -11.2617 -11.2617 -11.1167 -11.1167 -11.1104 -11.1104 -7.1312 -7.1312 -7.1312 -7.1312 0.9934 0.9934 1.0090 1.0090 2.3575 2.3575 2.4397 2.4397 2.8817 2.8817 2.9768 2.9768 4.5275 4.5275 4.5729 4.5729 9.0850 9.0850 9.1032 9.1032 9.7048 9.7048 9.7146 9.7146 k = 0.0972 0.5000 0.2586 ( 5732 PWs) bands (ev): -29.4722 -29.4722 -29.4722 -29.4722 -12.3237 -12.3237 -12.3214 -12.3214 -11.2647 -11.2647 -11.2603 -11.2603 -11.1186 -11.1186 -11.1114 -11.1114 -7.1346 -7.1346 -7.1346 -7.1346 1.0069 1.0069 1.0255 1.0255 2.3436 2.3436 2.4346 2.4346 2.8701 2.8701 2.9768 2.9768 4.5217 4.5217 4.5732 4.5732 9.0874 9.0874 9.1079 9.1079 9.7256 9.7256 9.7360 9.7360 k = 0.1111 0.5000 0.2586 ( 5732 PWs) bands (ev): -29.4721 -29.4721 -29.4721 -29.4721 -12.3238 -12.3238 -12.3212 -12.3212 -11.2638 -11.2638 -11.2588 -11.2588 -11.1207 -11.1207 -11.1125 -11.1125 -7.1384 -7.1384 -7.1384 -7.1384 1.0221 1.0221 1.0440 1.0440 2.3294 2.3294 2.4269 2.4269 2.8593 2.8593 2.9757 2.9757 4.5153 4.5153 4.5724 4.5724 9.0902 9.0902 9.1126 9.1126 9.7471 9.7471 9.7572 9.7572 k = 0.1250 0.5000 0.2586 ( 5728 PWs) bands (ev): -29.4720 -29.4720 -29.4720 -29.4720 -12.3238 -12.3238 -12.3209 -12.3209 -11.2627 -11.2627 -11.2572 -11.2572 -11.1228 -11.1228 -11.1139 -11.1139 -7.1427 -7.1427 -7.1427 -7.1427 1.0392 1.0392 1.0645 1.0645 2.3150 2.3150 2.4166 2.4166 2.8498 2.8498 2.9737 2.9737 4.5083 4.5083 4.5703 4.5703 9.0935 9.0935 9.1175 9.1175 9.7676 9.7676 9.7756 9.7756 k = 0.1389 0.5000 0.2586 ( 5748 PWs) bands (ev): -29.4718 -29.4718 -29.4718 -29.4718 -12.3238 -12.3238 -12.3206 -12.3206 -11.2615 -11.2615 -11.2555 -11.2555 -11.1251 -11.1251 -11.1154 -11.1154 -7.1474 -7.1474 -7.1474 -7.1474 1.0577 1.0577 1.0868 1.0868 2.3005 2.3005 2.4037 2.4037 2.8417 2.8417 2.9710 2.9710 4.5007 4.5007 4.5669 4.5669 9.0971 9.0971 9.1225 9.1225 9.7840 9.7840 9.7873 9.7873 k = 0.1528 0.5000 0.2586 ( 5744 PWs) bands (ev): -29.4717 -29.4717 -29.4717 -29.4717 -12.3238 -12.3238 -12.3204 -12.3204 -11.2602 -11.2602 -11.2538 -11.2538 -11.1274 -11.1274 -11.1170 -11.1170 -7.1525 -7.1525 -7.1525 -7.1525 1.0777 1.0777 1.1108 1.1108 2.2861 2.2861 2.3884 2.3884 2.8351 2.8351 2.9677 2.9677 4.4922 4.4922 4.5619 4.5619 9.1012 9.1012 9.1275 9.1275 9.7890 9.7890 9.7925 9.7925 k = 0.1667 0.5000 0.2586 ( 5732 PWs) bands (ev): -29.4715 -29.4715 -29.4715 -29.4715 -12.3238 -12.3238 -12.3202 -12.3202 -11.2588 -11.2588 -11.2520 -11.2520 -11.1298 -11.1298 -11.1187 -11.1187 -7.1579 -7.1579 -7.1579 -7.1579 1.0987 1.0987 1.1362 1.1362 2.2721 2.2721 2.3710 2.3710 2.8302 2.8302 2.9639 2.9639 4.4830 4.4830 4.5554 4.5554 9.1056 9.1056 9.1325 9.1325 9.7807 9.7807 9.7910 9.7910 k = 0.1806 0.5000 0.2586 ( 5732 PWs) bands (ev): -29.4714 -29.4714 -29.4714 -29.4714 -12.3237 -12.3237 -12.3200 -12.3200 -11.2573 -11.2573 -11.2502 -11.2502 -11.1321 -11.1321 -11.1205 -11.1205 -7.1636 -7.1636 -7.1636 -7.1636 1.1208 1.1208 1.1629 1.1629 2.2586 2.2586 2.3518 2.3518 2.8268 2.8268 2.9598 2.9598 4.4728 4.4728 4.5473 4.5473 9.1105 9.1105 9.1375 9.1375 9.7655 9.7655 9.7808 9.7808 k = 0.1944 0.5000 0.2586 ( 5740 PWs) bands (ev): -29.4712 -29.4712 -29.4712 -29.4712 -12.3237 -12.3237 -12.3198 -12.3198 -11.2557 -11.2557 -11.2483 -11.2483 -11.1345 -11.1345 -11.1224 -11.1224 -7.1695 -7.1695 -7.1695 -7.1695 1.1435 1.1435 1.1906 1.1906 2.2457 2.2457 2.3312 2.3312 2.8248 2.8248 2.9554 2.9554 4.4618 4.4618 4.5377 4.5377 9.1159 9.1159 9.1425 9.1425 9.7459 9.7459 9.7648 9.7648 k = 0.2083 0.5000 0.2586 ( 5740 PWs) bands (ev): -29.4710 -29.4710 -29.4710 -29.4710 -12.3237 -12.3237 -12.3197 -12.3197 -11.2542 -11.2542 -11.2466 -11.2466 -11.1367 -11.1367 -11.1242 -11.1242 -7.1757 -7.1757 -7.1757 -7.1757 1.1668 1.1668 1.2191 1.2191 2.2338 2.2338 2.3098 2.3098 2.8241 2.8241 2.9509 2.9509 4.4500 4.4500 4.5264 4.5264 9.1217 9.1217 9.1476 9.1476 9.7237 9.7237 9.7455 9.7455 k = 0.2222 0.5000 0.2586 ( 5752 PWs) bands (ev): -29.4708 -29.4708 -29.4708 -29.4708 -12.3237 -12.3237 -12.3196 -12.3196 -11.2526 -11.2526 -11.2448 -11.2448 -11.1388 -11.1388 -11.1261 -11.1261 -7.1820 -7.1820 -7.1820 -7.1820 1.1902 1.1902 1.2480 1.2480 2.2229 2.2229 2.2879 2.2879 2.8245 2.8245 2.9463 2.9463 4.4373 4.4373 4.5137 4.5137 9.1281 9.1281 9.1525 9.1525 9.7000 9.7000 9.7244 9.7244 k = 0.2361 0.5000 0.2586 ( 5736 PWs) bands (ev): -29.4706 -29.4706 -29.4706 -29.4706 -12.3237 -12.3237 -12.3195 -12.3195 -11.2510 -11.2510 -11.2432 -11.2432 -11.1408 -11.1408 -11.1280 -11.1280 -7.1885 -7.1885 -7.1884 -7.1884 1.2136 1.2136 1.2772 1.2772 2.2133 2.2133 2.2661 2.2661 2.8258 2.8258 2.9417 2.9417 4.4238 4.4238 4.4995 4.4995 9.1350 9.1350 9.1575 9.1575 9.6755 9.6755 9.7025 9.7025 k = 0.2500 0.5000 0.2586 ( 5736 PWs) bands (ev): -29.4704 -29.4704 -29.4704 -29.4704 -12.3237 -12.3237 -12.3195 -12.3195 -11.2494 -11.2494 -11.2416 -11.2416 -11.1426 -11.1426 -11.1298 -11.1298 -7.1950 -7.1950 -7.1950 -7.1950 1.2368 1.2368 1.3062 1.3062 2.2050 2.2050 2.2448 2.2448 2.8280 2.8280 2.9372 2.9372 4.4097 4.4097 4.4841 4.4841 9.1424 9.1424 9.1623 9.1623 9.6508 9.6508 9.6805 9.6805 k = 0.2639 0.5000 0.2586 ( 5740 PWs) bands (ev): -29.4703 -29.4703 -29.4703 -29.4703 -12.3237 -12.3237 -12.3195 -12.3195 -11.2479 -11.2479 -11.2402 -11.2402 -11.1443 -11.1443 -11.1315 -11.1315 -7.2015 -7.2015 -7.2015 -7.2015 1.2594 1.2594 1.3346 1.3346 2.1981 2.1981 2.2244 2.2244 2.8308 2.8308 2.9328 2.9328 4.3949 4.3949 4.4674 4.4674 9.1503 9.1503 9.1669 9.1669 9.6262 9.6262 9.6590 9.6590 k = 0.2778 0.5000 0.2586 ( 5752 PWs) bands (ev): -29.4701 -29.4701 -29.4701 -29.4701 -12.3237 -12.3237 -12.3195 -12.3195 -11.2464 -11.2464 -11.2389 -11.2389 -11.1457 -11.1457 -11.1331 -11.1331 -7.2080 -7.2080 -7.2080 -7.2080 1.2814 1.2814 1.3622 1.3622 2.1928 2.1928 2.2053 2.2053 2.8340 2.8340 2.9285 2.9285 4.3797 4.3797 4.4498 4.4498 9.1586 9.1586 9.1712 9.1712 9.6024 9.6024 9.6385 9.6385 k = 0.2917 0.5000 0.2586 ( 5760 PWs) bands (ev): -29.4699 -29.4699 -29.4699 -29.4699 -12.3237 -12.3237 -12.3196 -12.3196 -11.2451 -11.2451 -11.2378 -11.2378 -11.1469 -11.1469 -11.1347 -11.1347 -7.2145 -7.2145 -7.2145 -7.2145 1.3025 1.3025 1.3885 1.3885 2.1881 2.1881 2.1890 2.1890 2.8377 2.8377 2.9244 2.9244 4.3641 4.3641 4.4314 4.4314 9.1672 9.1672 9.1751 9.1751 9.5798 9.5798 9.6196 9.6196 k = 0.3056 0.5000 0.2586 ( 5760 PWs) bands (ev): -29.4697 -29.4697 -29.4697 -29.4697 -12.3237 -12.3237 -12.3197 -12.3197 -11.2438 -11.2438 -11.2369 -11.2369 -11.1478 -11.1478 -11.1361 -11.1361 -7.2208 -7.2208 -7.2208 -7.2208 1.3225 1.3225 1.4130 1.4130 2.1729 2.1729 2.1867 2.1867 2.8417 2.8417 2.9205 2.9205 4.3484 4.3484 4.4124 4.4124 9.1757 9.1757 9.1783 9.1783 9.5587 9.5587 9.6026 9.6026 k = 0.3194 0.5000 0.2586 ( 5760 PWs) bands (ev): -29.4695 -29.4695 -29.4695 -29.4695 -12.3237 -12.3237 -12.3198 -12.3198 -11.2427 -11.2427 -11.2361 -11.2361 -11.1485 -11.1485 -11.1373 -11.1373 -7.2269 -7.2269 -7.2269 -7.2269 1.3413 1.3413 1.4355 1.4355 2.1602 2.1602 2.1858 2.1858 2.8458 2.8458 2.9169 2.9169 4.3326 4.3326 4.3930 4.3930 9.1809 9.1809 9.1838 9.1838 9.5399 9.5399 9.5879 9.5879 k = 0.3333 0.5000 0.2586 ( 5764 PWs) bands (ev): -29.4694 -29.4694 -29.4694 -29.4694 -12.3238 -12.3238 -12.3200 -12.3200 -11.2416 -11.2416 -11.2356 -11.2356 -11.1490 -11.1490 -11.1385 -11.1385 -7.2329 -7.2329 -7.2328 -7.2328 1.3590 1.3590 1.4554 1.4554 2.1502 2.1502 2.1861 2.1861 2.8501 2.8501 2.9135 2.9135 4.3170 4.3170 4.3735 4.3735 9.1825 9.1825 9.1912 9.1912 9.5239 9.5239 9.5758 9.5758 k = 0.3472 0.5000 0.2586 ( 5756 PWs) bands (ev): -29.4692 -29.4692 -29.4692 -29.4692 -12.3238 -12.3238 -12.3202 -12.3202 -11.2407 -11.2407 -11.2352 -11.2352 -11.1492 -11.1492 -11.1395 -11.1395 -7.2385 -7.2385 -7.2384 -7.2384 1.3754 1.3754 1.4726 1.4726 2.1431 2.1431 2.1875 2.1875 2.8543 2.8543 2.9103 2.9103 4.3018 4.3018 4.3542 4.3542 9.1831 9.1831 9.1973 9.1973 9.5111 9.5111 9.5665 9.5665 k = 0.3611 0.5000 0.2586 ( 5768 PWs) bands (ev): -29.4691 -29.4691 -29.4691 -29.4691 -12.3238 -12.3238 -12.3204 -12.3204 -11.2399 -11.2399 -11.2349 -11.2349 -11.1493 -11.1493 -11.1403 -11.1403 -7.2438 -7.2438 -7.2438 -7.2438 1.3905 1.3905 1.4868 1.4868 2.1390 2.1390 2.1897 2.1897 2.8586 2.8586 2.9074 2.9074 4.2872 4.2872 4.3351 4.3351 9.1828 9.1828 9.2017 9.2017 9.5022 9.5022 9.5600 9.5600 k = 0.3750 0.5000 0.2586 ( 5764 PWs) bands (ev): -29.4689 -29.4689 -29.4689 -29.4689 -12.3238 -12.3238 -12.3207 -12.3207 -11.2392 -11.2392 -11.2348 -11.2348 -11.1492 -11.1492 -11.1411 -11.1411 -7.2488 -7.2488 -7.2487 -7.2487 1.4046 1.4046 1.4980 1.4980 2.1376 2.1376 2.1923 2.1923 2.8627 2.8627 2.9048 2.9048 4.2733 4.2733 4.3167 4.3167 9.1815 9.1815 9.2040 9.2040 9.4974 9.4974 9.5562 9.5563 k = 0.3889 0.5000 0.2586 ( 5780 PWs) bands (ev): -29.4688 -29.4688 -29.4688 -29.4688 -12.3237 -12.3237 -12.3209 -12.3209 -11.2386 -11.2386 -11.2348 -11.2348 -11.1489 -11.1489 -11.1417 -11.1417 -7.2533 -7.2533 -7.2533 -7.2533 1.4175 1.4175 1.5061 1.5061 2.1389 2.1389 2.1951 2.1951 2.8666 2.8666 2.9024 2.9024 4.2604 4.2604 4.2991 4.2991 9.1796 9.1796 9.2040 9.2040 9.4967 9.4967 9.5548 9.5548 k = 0.4028 0.5000 0.2586 ( 5792 PWs) bands (ev): -29.4687 -29.4687 -29.4687 -29.4687 -12.3237 -12.3237 -12.3212 -12.3212 -11.2381 -11.2381 -11.2348 -11.2348 -11.1486 -11.1486 -11.1423 -11.1423 -7.2574 -7.2574 -7.2574 -7.2574 1.4295 1.4295 1.5114 1.5114 2.1425 2.1425 2.1977 2.1977 2.8703 2.8703 2.9002 2.9002 4.2487 4.2487 4.2827 4.2827 9.1771 9.1771 9.2020 9.2020 9.4999 9.4999 9.5553 9.5553 k = 0.4167 0.5000 0.2586 ( 5796 PWs) bands (ev): -29.4686 -29.4686 -29.4686 -29.4686 -12.3237 -12.3237 -12.3215 -12.3215 -11.2377 -11.2377 -11.2349 -11.2349 -11.1481 -11.1481 -11.1428 -11.1428 -7.2611 -7.2611 -7.2610 -7.2610 1.4406 1.4406 1.5141 1.5141 2.1479 2.1479 2.1999 2.1999 2.8738 2.8738 2.8983 2.8983 4.2384 4.2384 4.2676 4.2676 9.1745 9.1745 9.1984 9.1984 9.5061 9.5061 9.5570 9.5570 k = 0.4306 0.5000 0.2586 ( 5800 PWs) bands (ev): -29.4685 -29.4685 -29.4685 -29.4685 -12.3236 -12.3236 -12.3217 -12.3217 -11.2374 -11.2374 -11.2351 -11.2351 -11.1476 -11.1476 -11.1432 -11.1432 -7.2642 -7.2642 -7.2642 -7.2642 1.4509 1.4509 1.5145 1.5145 2.1545 2.1545 2.2012 2.2012 2.8769 2.8769 2.8965 2.8965 4.2297 4.2297 4.2540 4.2540 9.1721 9.1721 9.1936 9.1936 9.5145 9.5145 9.5594 9.5594 k = 0.4444 0.5000 0.2586 ( 5796 PWs) bands (ev): -29.4684 -29.4684 -29.4684 -29.4684 -12.3235 -12.3235 -12.3220 -12.3220 -11.2371 -11.2371 -11.2353 -11.2353 -11.1471 -11.1471 -11.1436 -11.1436 -7.2668 -7.2668 -7.2668 -7.2668 1.4605 1.4605 1.5129 1.5129 2.1620 2.1620 2.2016 2.2016 2.8798 2.8798 2.8949 2.8949 4.2227 4.2227 4.2422 4.2422 9.1702 9.1702 9.1884 9.1884 9.5241 9.5241 9.5615 9.5615 k = 0.4583 0.5000 0.2586 ( 5792 PWs) bands (ev): -29.4684 -29.4684 -29.4684 -29.4684 -12.3234 -12.3234 -12.3222 -12.3222 -11.2368 -11.2368 -11.2355 -11.2355 -11.1466 -11.1466 -11.1440 -11.1440 -7.2688 -7.2688 -7.2688 -7.2688 1.4695 1.4695 1.5097 1.5097 2.1697 2.1697 2.2007 2.2007 2.8824 2.8824 2.8933 2.8933 4.2177 4.2177 4.2323 4.2323 9.1689 9.1689 9.1831 9.1831 9.5339 9.5339 9.5629 9.5629 k = 0.4722 0.5000 0.2586 ( 5780 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3232 -12.3232 -12.3225 -12.3225 -11.2366 -11.2366 -11.2357 -11.2357 -11.1461 -11.1461 -11.1444 -11.1444 -7.2703 -7.2703 -7.2703 -7.2703 1.4780 1.4780 1.5051 1.5051 2.1772 2.1772 2.1985 2.1985 2.8847 2.8847 2.8918 2.8918 4.2147 4.2147 4.2244 4.2244 9.1687 9.1687 9.1784 9.1784 9.5431 9.5431 9.5629 9.5629 k = 0.4861 0.5000 0.2586 ( 5776 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3231 -12.3231 -12.3227 -12.3227 -11.2364 -11.2364 -11.2360 -11.2360 -11.1456 -11.1456 -11.1448 -11.1448 -7.2712 -7.2712 -7.2712 -7.2712 1.4858 1.4858 1.4995 1.4995 2.1842 2.1842 2.1950 2.1950 2.8867 2.8867 2.8902 2.8902 4.2138 4.2138 4.2187 4.2187 9.1694 9.1694 9.1744 9.1744 9.5510 9.5510 9.5610 9.5610 k = 0.5000 0.5000 0.2586 ( 5776 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3229 -12.3229 -12.3229 -12.3229 -11.2362 -11.2362 -11.2362 -11.2362 -11.1452 -11.1452 -11.1452 -11.1452 -7.2715 -7.2715 -7.2715 -7.2715 1.4930 1.4930 1.4930 1.4930 2.1901 2.1901 2.1901 2.1901 2.8886 2.8886 2.8886 2.8886 4.2151 4.2151 4.2151 4.2151 9.1714 9.1714 9.1714 9.1714 9.5570 9.5570 9.5570 9.5570 k = 0.5000 0.5000 0.2586 ( 5776 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3229 -12.3229 -12.3229 -12.3229 -11.2362 -11.2362 -11.2362 -11.2362 -11.1452 -11.1452 -11.1452 -11.1452 -7.2715 -7.2715 -7.2715 -7.2715 1.4930 1.4930 1.4930 1.4930 2.1901 2.1901 2.1901 2.1901 2.8886 2.8886 2.8886 2.8886 4.2151 4.2151 4.2151 4.2151 9.1714 9.1714 9.1714 9.1714 9.5570 9.5570 9.5570 9.5570 k = 0.4902 0.4902 0.2586 ( 5776 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3231 -12.3231 -12.3227 -12.3227 -11.2364 -11.2364 -11.2360 -11.2360 -11.1456 -11.1456 -11.1448 -11.1448 -7.2712 -7.2712 -7.2711 -7.2711 1.4858 1.4858 1.4995 1.4995 2.1841 2.1841 2.1950 2.1950 2.8866 2.8866 2.8904 2.8904 4.2138 4.2138 4.2187 4.2187 9.1682 9.1682 9.1756 9.1756 9.5509 9.5509 9.5611 9.5611 k = 0.4804 0.4804 0.2586 ( 5778 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3232 -12.3232 -12.3225 -12.3225 -11.2366 -11.2366 -11.2357 -11.2357 -11.1461 -11.1461 -11.1443 -11.1443 -7.2705 -7.2705 -7.2701 -7.2701 1.4779 1.4779 1.5054 1.5054 2.1770 2.1770 2.1987 2.1987 2.8838 2.8838 2.8927 2.8927 4.2146 4.2146 4.2245 4.2245 9.1617 9.1617 9.1855 9.1855 9.5427 9.5427 9.5636 9.5636 k = 0.4706 0.4706 0.2586 ( 5782 PWs) bands (ev): -29.4684 -29.4684 -29.4683 -29.4683 -12.3234 -12.3234 -12.3222 -12.3222 -11.2368 -11.2368 -11.2355 -11.2355 -11.1467 -11.1467 -11.1439 -11.1439 -7.2694 -7.2694 -7.2683 -7.2683 1.4692 1.4692 1.5105 1.5105 2.1688 2.1688 2.2014 2.2014 2.8798 2.8798 2.8958 2.8958 4.2174 4.2174 4.2326 4.2326 9.1514 9.1514 9.2014 9.2014 9.5328 9.5328 9.5650 9.5650 k = 0.4608 0.4608 0.2586 ( 5790 PWs) bands (ev): -29.4684 -29.4684 -29.4684 -29.4684 -12.3235 -12.3235 -12.3219 -12.3219 -11.2370 -11.2370 -11.2353 -11.2353 -11.1472 -11.1472 -11.1436 -11.1436 -7.2678 -7.2678 -7.2659 -7.2659 1.4598 1.4598 1.5151 1.5151 2.1597 2.1597 2.2033 2.2033 2.8745 2.8745 2.8996 2.8996 4.2222 4.2222 4.2430 4.2430 9.1380 9.1380 9.2229 9.2229 9.5221 9.5221 9.5659 9.5659 k = 0.4510 0.4510 0.2586 ( 5790 PWs) bands (ev): -29.4685 -29.4685 -29.4685 -29.4685 -12.3237 -12.3237 -12.3216 -12.3216 -11.2372 -11.2372 -11.2350 -11.2350 -11.1478 -11.1478 -11.1431 -11.1431 -7.2659 -7.2659 -7.2629 -7.2629 1.4499 1.4499 1.5191 1.5191 2.1496 2.1496 2.2046 2.2046 2.8680 2.8680 2.9038 2.9038 4.2289 4.2289 4.2557 4.2557 9.1227 9.1227 9.2493 9.2493 9.5114 9.5114 9.5664 9.5664 k = 0.4412 0.4412 0.2586 ( 5790 PWs) bands (ev): -29.4686 -29.4686 -29.4685 -29.4685 -12.3238 -12.3238 -12.3212 -12.3212 -11.2374 -11.2374 -11.2348 -11.2348 -11.1485 -11.1485 -11.1427 -11.1427 -7.2637 -7.2637 -7.2594 -7.2594 1.4396 1.4396 1.5224 1.5224 2.1388 2.1388 2.2058 2.2058 2.8606 2.8606 2.9083 2.9083 4.2374 4.2374 4.2706 4.2706 9.1066 9.1066 9.2794 9.2794 9.5013 9.5013 9.5666 9.5666 k = 0.4314 0.4314 0.2586 ( 5786 PWs) bands (ev): -29.4688 -29.4688 -29.4686 -29.4686 -12.3239 -12.3239 -12.3208 -12.3208 -11.2375 -11.2375 -11.2345 -11.2345 -11.1492 -11.1492 -11.1423 -11.1423 -7.2612 -7.2612 -7.2554 -7.2554 1.4291 1.4291 1.5251 1.5251 2.1273 2.1273 2.2071 2.2071 2.8523 2.8523 2.9124 2.9124 4.2476 4.2476 4.2875 4.2875 9.0915 9.0915 9.3120 9.3120 9.4920 9.4920 9.5668 9.5668 k = 0.4216 0.4216 0.2586 ( 5782 PWs) bands (ev): -29.4689 -29.4689 -29.4687 -29.4687 -12.3239 -12.3239 -12.3203 -12.3203 -11.2376 -11.2376 -11.2341 -11.2341 -11.1499 -11.1499 -11.1418 -11.1418 -7.2586 -7.2586 -7.2510 -7.2510 1.4186 1.4186 1.5270 1.5270 2.1154 2.1154 2.2090 2.2090 2.8436 2.8436 2.9160 2.9160 4.2594 4.2594 4.3065 4.3065 9.0786 9.0786 9.3456 9.3456 9.4832 9.4832 9.5670 9.5670 k = 0.4118 0.4118 0.2586 ( 5770 PWs) bands (ev): -29.4691 -29.4691 -29.4688 -29.4688 -12.3240 -12.3240 -12.3198 -12.3198 -11.2377 -11.2377 -11.2337 -11.2337 -11.1507 -11.1507 -11.1413 -11.1413 -7.2559 -7.2559 -7.2462 -7.2462 1.4085 1.4085 1.5280 1.5280 2.1033 2.1033 2.2117 2.2117 2.8345 2.8345 2.9185 2.9185 4.2728 4.2728 4.3272 4.3272 9.0695 9.0695 9.3782 9.3782 9.4750 9.4750 9.5672 9.5672 k = 0.4020 0.4020 0.2586 ( 5756 PWs) bands (ev): -29.4692 -29.4692 -29.4689 -29.4689 -12.3240 -12.3240 -12.3192 -12.3192 -11.2377 -11.2377 -11.2332 -11.2332 -11.1515 -11.1515 -11.1407 -11.1407 -7.2532 -7.2532 -7.2413 -7.2413 1.3990 1.3990 1.5280 1.5280 2.0915 2.0915 2.2156 2.2156 2.8253 2.8253 2.9198 2.9198 4.2878 4.2878 4.3495 4.3495 9.0651 9.0651 9.4069 9.4069 9.4680 9.4680 9.5676 9.5676 k = 0.3922 0.3922 0.2586 ( 5764 PWs) bands (ev): -29.4694 -29.4694 -29.4691 -29.4691 -12.3240 -12.3240 -12.3185 -12.3185 -11.2377 -11.2377 -11.2326 -11.2326 -11.1522 -11.1522 -11.1402 -11.1402 -7.2506 -7.2506 -7.2363 -7.2363 1.3905 1.3905 1.5267 1.5267 2.0804 2.0804 2.2208 2.2208 2.8163 2.8163 2.9194 2.9194 4.3041 4.3041 4.3732 4.3732 9.0665 9.0665 9.4252 9.4252 9.4667 9.4667 9.5681 9.5681 k = 0.3824 0.3824 0.2586 ( 5764 PWs) bands (ev): -29.4696 -29.4696 -29.4692 -29.4692 -12.3240 -12.3240 -12.3177 -12.3177 -11.2376 -11.2376 -11.2319 -11.2319 -11.1530 -11.1530 -11.1395 -11.1395 -7.2483 -7.2483 -7.2312 -7.2312 1.3834 1.3834 1.5242 1.5242 2.0704 2.0704 2.2275 2.2275 2.8076 2.8076 2.9172 2.9172 4.3217 4.3217 4.3982 4.3982 9.0742 9.0742 9.4252 9.4252 9.4769 9.4769 9.5687 9.5687 k = 0.3725 0.3725 0.2586 ( 5756 PWs) bands (ev): -29.4699 -29.4699 -29.4693 -29.4693 -12.3239 -12.3239 -12.3169 -12.3169 -11.2374 -11.2374 -11.2311 -11.2311 -11.1538 -11.1538 -11.1388 -11.1388 -7.2463 -7.2463 -7.2263 -7.2263 1.3778 1.3778 1.5202 1.5202 2.0620 2.0620 2.2357 2.2357 2.7994 2.7994 2.9131 2.9131 4.3407 4.3407 4.4242 4.4242 9.0886 9.0886 9.4143 9.4143 9.4900 9.4900 9.5694 9.5694 k = 0.3627 0.3627 0.2586 ( 5744 PWs) bands (ev): -29.4701 -29.4701 -29.4695 -29.4695 -12.3238 -12.3238 -12.3160 -12.3160 -11.2371 -11.2371 -11.2301 -11.2301 -11.1546 -11.1546 -11.1381 -11.1381 -7.2447 -7.2447 -7.2216 -7.2216 1.3741 1.3741 1.5147 1.5147 2.0556 2.0556 2.2454 2.2454 2.7919 2.7919 2.9069 2.9069 4.3608 4.3608 4.4510 4.4510 9.1096 9.1096 9.3995 9.3995 9.4989 9.4989 9.5700 9.5700 k = 0.3529 0.3529 0.2586 ( 5744 PWs) bands (ev): -29.4703 -29.4703 -29.4697 -29.4697 -12.3236 -12.3236 -12.3150 -12.3150 -11.2368 -11.2368 -11.2289 -11.2289 -11.1553 -11.1553 -11.1373 -11.1373 -7.2437 -7.2437 -7.2172 -7.2172 1.3726 1.3726 1.5077 1.5077 2.0516 2.0516 2.2568 2.2568 2.7851 2.7851 2.8989 2.8989 4.3819 4.3819 4.4785 4.4785 9.1366 9.1366 9.3830 9.3830 9.5020 9.5020 9.5702 9.5702 k = 0.3431 0.3431 0.2586 ( 5740 PWs) bands (ev): -29.4706 -29.4706 -29.4698 -29.4698 -12.3233 -12.3233 -12.3139 -12.3139 -11.2363 -11.2363 -11.2276 -11.2276 -11.1560 -11.1560 -11.1365 -11.1365 -7.2432 -7.2432 -7.2133 -7.2133 1.3735 1.3735 1.4995 1.4995 2.0502 2.0502 2.2698 2.2698 2.7791 2.7791 2.8890 2.8890 4.4040 4.4040 4.5064 4.5064 9.1683 9.1683 9.3670 9.3670 9.4993 9.4993 9.5695 9.5695 k = 0.3333 0.3333 0.2586 ( 5738 PWs) bands (ev): -29.4709 -29.4709 -29.4700 -29.4700 -12.3230 -12.3230 -12.3127 -12.3127 -11.2357 -11.2357 -11.2261 -11.2261 -11.1566 -11.1566 -11.1356 -11.1356 -7.2435 -7.2435 -7.2099 -7.2099 1.3769 1.3769 1.4903 1.4903 2.0514 2.0514 2.2843 2.2843 2.7739 2.7739 2.8777 2.8777 4.4270 4.4270 4.5347 4.5347 9.2006 9.2006 9.3556 9.3556 9.4918 9.4918 9.5670 9.5670 k = 0.3235 0.3235 0.2586 ( 5738 PWs) bands (ev): -29.4712 -29.4712 -29.4702 -29.4702 -12.3227 -12.3227 -12.3114 -12.3114 -11.2349 -11.2349 -11.2244 -11.2244 -11.1572 -11.1572 -11.1347 -11.1347 -7.2446 -7.2446 -7.2072 -7.2072 1.3829 1.3829 1.4805 1.4805 2.0553 2.0553 2.3004 2.3004 2.7693 2.7693 2.8653 2.8653 4.4506 4.4506 4.5630 4.5630 9.2246 9.2246 9.3574 9.3574 9.4807 9.4807 9.5617 9.5617 k = 0.3137 0.3137 0.2586 ( 5740 PWs) bands (ev): -29.4715 -29.4715 -29.4704 -29.4704 -12.3222 -12.3222 -12.3100 -12.3100 -11.2340 -11.2340 -11.2225 -11.2225 -11.1577 -11.1577 -11.1337 -11.1337 -7.2465 -7.2465 -7.2052 -7.2052 1.3914 1.3914 1.4707 1.4707 2.0617 2.0617 2.3179 2.3179 2.7650 2.7650 2.8527 2.8527 4.4747 4.4747 4.5913 4.5913 9.2299 9.2299 9.3818 9.3818 9.4678 9.4678 9.5518 9.5518 k = 0.3039 0.3039 0.2586 ( 5736 PWs) bands (ev): -29.4718 -29.4718 -29.4706 -29.4706 -12.3217 -12.3217 -12.3085 -12.3085 -11.2330 -11.2330 -11.2203 -11.2203 -11.1582 -11.1582 -11.1328 -11.1328 -7.2493 -7.2493 -7.2041 -7.2041 1.4019 1.4019 1.4619 1.4619 2.0705 2.0705 2.3368 2.3368 2.7603 2.7603 2.8408 2.8408 4.4993 4.4993 4.6195 4.6195 9.2195 9.2195 9.4189 9.4189 9.4601 9.4601 9.5354 9.5354 k = 0.2941 0.2941 0.2586 ( 5740 PWs) bands (ev): -29.4721 -29.4721 -29.4708 -29.4708 -12.3211 -12.3211 -12.3070 -12.3070 -11.2318 -11.2318 -11.2179 -11.2179 -11.1586 -11.1586 -11.1318 -11.1318 -7.2532 -7.2532 -7.2039 -7.2039 1.4126 1.4126 1.4563 1.4563 2.0813 2.0813 2.3570 2.3570 2.7545 2.7545 2.8310 2.8310 4.5240 4.5240 4.6474 4.6474 9.2023 9.2023 9.4242 9.4242 9.4912 9.4912 9.5114 9.5114 k = 0.2843 0.2843 0.2586 ( 5736 PWs) bands (ev): -29.4724 -29.4724 -29.4710 -29.4710 -12.3204 -12.3204 -12.3053 -12.3053 -11.2303 -11.2303 -11.2153 -11.2153 -11.1589 -11.1589 -11.1307 -11.1307 -7.2580 -7.2580 -7.2046 -7.2046 1.4185 1.4185 1.4594 1.4594 2.0941 2.0941 2.3783 2.3783 2.7466 2.7466 2.8246 2.8246 4.5488 4.5488 4.6749 4.6749 9.1828 9.1828 9.4099 9.4099 9.4703 9.4703 9.5497 9.5497 k = 0.2745 0.2745 0.2586 ( 5734 PWs) bands (ev): -29.4727 -29.4727 -29.4712 -29.4712 -12.3196 -12.3196 -12.3036 -12.3036 -11.2288 -11.2288 -11.2125 -11.2125 -11.1591 -11.1591 -11.1297 -11.1297 -7.2638 -7.2638 -7.2063 -7.2063 1.4169 1.4169 1.4739 1.4739 2.1083 2.1083 2.4005 2.4005 2.7369 2.7369 2.8224 2.8224 4.5734 4.5734 4.7019 4.7019 9.1630 9.1630 9.3922 9.3922 9.4197 9.4197 9.6049 9.6049 k = 0.2647 0.2647 0.2586 ( 5738 PWs) bands (ev): -29.4730 -29.4730 -29.4715 -29.4715 -12.3187 -12.3187 -12.3018 -12.3018 -11.2270 -11.2270 -11.2094 -11.2094 -11.1593 -11.1593 -11.1287 -11.1287 -7.2706 -7.2706 -7.2091 -7.2091 1.4122 1.4122 1.4957 1.4957 2.1239 2.1239 2.4231 2.4231 2.7262 2.7262 2.8241 2.8241 4.5977 4.5977 4.7282 4.7282 9.1438 9.1438 9.3441 9.3441 9.3844 9.3844 9.6536 9.6536 k = 0.2549 0.2549 0.2586 ( 5740 PWs) bands (ev): -29.4734 -29.4734 -29.4717 -29.4717 -12.3177 -12.3177 -12.2999 -12.2999 -11.2250 -11.2250 -11.2060 -11.2060 -11.1594 -11.1594 -11.1276 -11.1276 -7.2785 -7.2785 -7.2130 -7.2130 1.4076 1.4076 1.5215 1.5215 2.1404 2.1404 2.4456 2.4456 2.7163 2.7163 2.8291 2.8291 4.6214 4.6214 4.7539 4.7539 9.1259 9.1259 9.2621 9.2621 9.3697 9.3697 9.6897 9.6897 k = 0.2451 0.2451 0.2586 ( 5744 PWs) bands (ev): -29.4737 -29.4737 -29.4719 -29.4719 -12.3166 -12.3166 -12.2980 -12.2980 -11.2228 -11.2228 -11.2025 -11.2025 -11.1595 -11.1595 -11.1266 -11.1266 -7.2873 -7.2873 -7.2179 -7.2179 1.4041 1.4041 1.5503 1.5503 2.1577 2.1577 2.4672 2.4672 2.7091 2.7091 2.8369 2.8369 4.6444 4.6444 4.7787 4.7787 9.1095 9.1095 9.1666 9.1666 9.3582 9.3582 9.7003 9.7003 k = 0.2353 0.2353 0.2586 ( 5736 PWs) bands (ev): -29.4740 -29.4740 -29.4721 -29.4721 -12.3154 -12.3154 -12.2960 -12.2960 -11.2204 -11.2204 -11.1988 -11.1988 -11.1594 -11.1594 -11.1256 -11.1256 -7.2970 -7.2970 -7.2238 -7.2238 1.4023 1.4023 1.5812 1.5812 2.1754 2.1754 2.4869 2.4869 2.7065 2.7065 2.8470 2.8470 4.6665 4.6665 4.8027 4.8027 9.0613 9.0613 9.0951 9.0951 9.3491 9.3491 9.6315 9.6315 k = 0.2255 0.2255 0.2586 ( 5736 PWs) bands (ev): -29.4743 -29.4743 -29.4723 -29.4723 -12.3142 -12.3142 -12.2940 -12.2940 -11.2177 -11.2177 -11.1949 -11.1949 -11.1593 -11.1593 -11.1246 -11.1246 -7.3076 -7.3076 -7.2308 -7.2308 1.4022 1.4022 1.6135 1.6135 2.1934 2.1934 2.5036 2.5036 2.7105 2.7105 2.8591 2.8591 4.6874 4.6874 4.8256 4.8256 8.9499 8.9499 9.0824 9.0824 9.3423 9.3423 9.5420 9.5420 k = 0.2157 0.2157 0.2586 ( 5740 PWs) bands (ev): -29.4747 -29.4747 -29.4726 -29.4726 -12.3128 -12.3128 -12.2920 -12.2920 -11.2149 -11.2149 -11.1908 -11.1908 -11.1592 -11.1592 -11.1237 -11.1237 -7.3191 -7.3191 -7.2387 -7.2387 1.4040 1.4040 1.6466 1.6466 2.2115 2.2115 2.5168 2.5168 2.7220 2.7220 2.8731 2.8731 4.7072 4.7072 4.8473 4.8473 8.8344 8.8344 9.0717 9.0717 9.3371 9.3371 9.4565 9.4565 k = 0.2059 0.2059 0.2586 ( 5740 PWs) bands (ev): -29.4750 -29.4750 -29.4728 -29.4728 -12.3114 -12.3114 -12.2900 -12.2900 -11.2119 -11.2119 -11.1865 -11.1865 -11.1590 -11.1590 -11.1228 -11.1228 -7.3312 -7.3312 -7.2475 -7.2475 1.4079 1.4079 1.6795 1.6795 2.2299 2.2299 2.5271 2.5271 2.7413 2.7413 2.8888 2.8888 4.7256 4.7256 4.8677 4.8677 8.7168 8.7168 9.0630 9.0630 9.3292 9.3292 9.3814 9.3814 k = 0.1961 0.1961 0.2586 ( 5740 PWs) bands (ev): -29.4753 -29.4753 -29.4730 -29.4730 -12.3099 -12.3099 -12.2880 -12.2880 -11.2088 -11.2088 -11.1821 -11.1821 -11.1587 -11.1587 -11.1219 -11.1219 -7.3440 -7.3440 -7.2571 -7.2571 1.4136 1.4136 1.7113 1.7113 2.2488 2.2488 2.5358 2.5358 2.7672 2.7672 2.9062 2.9062 4.7425 4.7425 4.8866 4.8866 8.5986 8.5986 9.0559 9.0559 9.2867 9.2867 9.3495 9.3495 k = 0.1863 0.1863 0.2586 ( 5736 PWs) bands (ev): -29.4756 -29.4756 -29.4732 -29.4732 -12.3083 -12.3083 -12.2859 -12.2859 -11.2054 -11.2054 -11.1777 -11.1777 -11.1584 -11.1584 -11.1211 -11.1211 -7.3573 -7.3573 -7.2675 -7.2675 1.4212 1.4212 1.7409 1.7409 2.2686 2.2686 2.5443 2.5443 2.7984 2.7984 2.9253 2.9253 4.7578 4.7578 4.9040 4.9040 8.4809 8.4809 9.0501 9.0501 9.2217 9.2217 9.3489 9.3489 k = 0.1765 0.1765 0.2586 ( 5718 PWs) bands (ev): -29.4759 -29.4759 -29.4734 -29.4734 -12.3067 -12.3067 -12.2839 -12.2839 -11.2019 -11.2019 -11.1731 -11.1731 -11.1580 -11.1580 -11.1204 -11.1204 -7.3710 -7.3710 -7.2785 -7.2785 1.4305 1.4305 1.7673 1.7673 2.2901 2.2901 2.5538 2.5538 2.8334 2.8334 2.9462 2.9462 4.7715 4.7715 4.9197 4.9197 8.3648 8.3648 9.0447 9.0447 9.1608 9.1608 9.3538 9.3538 k = 0.1667 0.1667 0.2586 ( 5728 PWs) bands (ev): -29.4762 -29.4762 -29.4736 -29.4736 -12.3050 -12.3050 -12.2820 -12.2820 -11.1983 -11.1983 -11.1686 -11.1686 -11.1575 -11.1575 -11.1197 -11.1197 -7.3850 -7.3850 -7.2900 -7.2900 1.4414 1.4414 1.7896 1.7896 2.3139 2.3139 2.5648 2.5648 2.8708 2.8708 2.9689 2.9689 4.7834 4.7834 4.9337 4.9337 8.2510 8.2510 9.0377 9.0377 9.1077 9.1077 9.3611 9.3611 k = 0.1569 0.1569 0.2586 ( 5718 PWs) bands (ev): -29.4765 -29.4765 -29.4738 -29.4738 -12.3033 -12.3033 -12.2801 -12.2801 -11.1946 -11.1946 -11.1640 -11.1640 -11.1570 -11.1570 -11.1192 -11.1192 -7.3992 -7.3992 -7.3018 -7.3018 1.4538 1.4538 1.8070 1.8070 2.3405 2.3405 2.5775 2.5775 2.9094 2.9094 2.9942 2.9942 4.7935 4.7935 4.9458 4.9458 8.1401 8.1401 9.0246 9.0246 9.0657 9.0657 9.3671 9.3671 k = 0.1471 0.1471 0.2586 ( 5714 PWs) bands (ev): -29.4767 -29.4767 -29.4740 -29.4740 -12.3016 -12.3016 -12.2783 -12.2783 -11.1908 -11.1908 -11.1596 -11.1596 -11.1562 -11.1562 -11.1187 -11.1187 -7.4134 -7.4134 -7.3140 -7.3140 1.4674 1.4674 1.8195 1.8195 2.3703 2.3703 2.5917 2.5917 2.9475 2.9475 3.0230 3.0230 4.8017 4.8017 4.9562 4.9562 8.0327 8.0327 9.0000 9.0000 9.0372 9.0372 9.3287 9.3287 k = 0.1373 0.1373 0.2586 ( 5722 PWs) bands (ev): -29.4770 -29.4770 -29.4741 -29.4741 -12.2999 -12.2999 -12.2766 -12.2766 -11.1870 -11.1870 -11.1565 -11.1565 -11.1542 -11.1542 -11.1183 -11.1183 -7.4275 -7.4275 -7.3262 -7.3262 1.4822 1.4822 1.8271 1.8271 2.4029 2.4029 2.6072 2.6072 2.9830 2.9830 3.0565 3.0565 4.8078 4.8078 4.9649 4.9649 7.9294 7.9294 8.9708 8.9708 9.0112 9.0112 9.2917 9.2917 k = 0.1275 0.1275 0.2586 ( 5714 PWs) bands (ev): -29.4772 -29.4772 -29.4743 -29.4743 -12.2982 -12.2982 -12.2749 -12.2749 -11.1832 -11.1832 -11.1555 -11.1555 -11.1501 -11.1501 -11.1181 -11.1181 -7.4413 -7.4413 -7.3384 -7.3384 1.4977 1.4977 1.8303 1.8303 2.4377 2.4377 2.6234 2.6234 3.0149 3.0149 3.0953 3.0953 4.8119 4.8119 4.9722 4.9722 7.8306 7.8306 8.9415 8.9415 8.9800 8.9800 9.2699 9.2699 k = 0.1176 0.1176 0.2586 ( 5714 PWs) bands (ev): -29.4775 -29.4775 -29.4745 -29.4745 -12.2966 -12.2966 -12.2734 -12.2734 -11.1795 -11.1795 -11.1546 -11.1546 -11.1459 -11.1459 -11.1180 -11.1180 -7.4547 -7.4547 -7.3504 -7.3504 1.5140 1.5140 1.8298 1.8298 2.4741 2.4741 2.6402 2.6402 3.0433 3.0433 3.1385 3.1385 4.8139 4.8139 4.9782 4.9782 7.7368 7.7368 8.9025 8.9025 8.9543 8.9543 9.2636 9.2636 k = 0.1078 0.1078 0.2586 ( 5710 PWs) bands (ev): -29.4777 -29.4777 -29.4746 -29.4746 -12.2949 -12.2949 -12.2719 -12.2719 -11.1759 -11.1759 -11.1537 -11.1537 -11.1418 -11.1418 -11.1180 -11.1180 -7.4676 -7.4676 -7.3621 -7.3621 1.5306 1.5306 1.8263 1.8263 2.5108 2.5108 2.6571 2.6571 3.0691 3.0691 3.1842 3.1842 4.8136 4.8136 4.9832 4.9832 7.6484 7.6484 8.8487 8.8487 8.9431 8.9431 9.2697 9.2697 k = 0.0980 0.0980 0.2586 ( 5710 PWs) bands (ev): -29.4779 -29.4779 -29.4747 -29.4747 -12.2934 -12.2934 -12.2706 -12.2706 -11.1725 -11.1725 -11.1526 -11.1526 -11.1380 -11.1380 -11.1182 -11.1182 -7.4799 -7.4799 -7.3734 -7.3734 1.5475 1.5475 1.8205 1.8205 2.5471 2.5471 2.6741 2.6741 3.0930 3.0930 3.2311 3.2311 4.8113 4.8113 4.9873 4.9873 7.5660 7.5660 8.7876 8.7876 8.9430 8.9430 9.2850 9.2850 k = 0.0882 0.0882 0.2586 ( 5706 PWs) bands (ev): -29.4781 -29.4781 -29.4749 -29.4749 -12.2919 -12.2919 -12.2694 -12.2694 -11.1694 -11.1694 -11.1513 -11.1513 -11.1343 -11.1343 -11.1185 -11.1185 -7.4915 -7.4915 -7.3840 -7.3840 1.5645 1.5645 1.8131 1.8131 2.5817 2.5817 2.6909 2.6909 3.1153 3.1153 3.2778 3.2778 4.8071 4.8071 4.9909 4.9909 7.4898 7.4898 8.7244 8.7244 8.9519 8.9519 9.3070 9.3070 k = 0.0784 0.0784 0.2586 ( 5702 PWs) bands (ev): -29.4782 -29.4782 -29.4750 -29.4750 -12.2905 -12.2905 -12.2683 -12.2683 -11.1668 -11.1668 -11.1497 -11.1497 -11.1310 -11.1310 -11.1190 -11.1190 -7.5021 -7.5021 -7.3939 -7.3939 1.5812 1.5812 1.8044 1.8044 2.6137 2.6137 2.7076 2.7076 3.1359 3.1359 3.3234 3.3234 4.8012 4.8012 4.9942 4.9942 7.4203 7.4203 8.6621 8.6621 8.9689 8.9689 9.3343 9.3343 k = 0.0686 0.0686 0.2586 ( 5698 PWs) bands (ev): -29.4784 -29.4784 -29.4751 -29.4751 -12.2892 -12.2892 -12.2674 -12.2674 -11.1646 -11.1646 -11.1478 -11.1478 -11.1280 -11.1280 -11.1197 -11.1197 -7.5118 -7.5118 -7.4030 -7.4030 1.5977 1.5977 1.7948 1.7948 2.6422 2.6422 2.7242 2.7242 3.1548 3.1548 3.3668 3.3668 4.7941 4.7941 4.9971 4.9971 7.3578 7.3578 8.6028 8.6028 8.9933 8.9933 9.3654 9.3655 k = 0.0588 0.0588 0.2586 ( 5702 PWs) bands (ev): -29.4785 -29.4785 -29.4752 -29.4752 -12.2881 -12.2881 -12.2666 -12.2666 -11.1628 -11.1628 -11.1456 -11.1456 -11.1254 -11.1254 -11.1204 -11.1204 -7.5204 -7.5204 -7.4111 -7.4111 1.6136 1.6136 1.7848 1.7848 2.6662 2.6662 2.7407 2.7407 3.1718 3.1718 3.4070 3.4070 4.7862 4.7862 4.9997 4.9997 7.3029 7.3029 8.5481 8.5481 9.0245 9.0245 9.3569 9.3569 k = 0.0490 0.0490 0.2586 ( 5698 PWs) bands (ev): -29.4786 -29.4786 -29.4752 -29.4752 -12.2870 -12.2870 -12.2659 -12.2659 -11.1615 -11.1615 -11.1432 -11.1432 -11.1235 -11.1235 -11.1210 -11.1210 -7.5278 -7.5278 -7.4181 -7.4181 1.6288 1.6288 1.7745 1.7745 2.6856 2.6856 2.7568 2.7568 3.1866 3.1866 3.4431 3.4431 4.7782 4.7782 5.0021 5.0021 7.2557 7.2557 8.4994 8.4994 9.0615 9.0615 9.3453 9.3453 k = 0.0392 0.0392 0.2586 ( 5698 PWs) bands (ev): -29.4787 -29.4787 -29.4753 -29.4753 -12.2862 -12.2862 -12.2653 -12.2653 -11.1606 -11.1606 -11.1407 -11.1407 -11.1236 -11.1236 -11.1202 -11.1202 -7.5340 -7.5340 -7.4240 -7.4240 1.6431 1.6431 1.7641 1.7641 2.7005 2.7005 2.7719 2.7719 3.1991 3.1991 3.4741 3.4741 4.7705 4.7705 5.0041 5.0041 7.2166 7.2166 8.4579 8.4579 9.1029 9.1029 9.3354 9.3354 k = 0.0294 0.0294 0.2586 ( 5690 PWs) bands (ev): -29.4788 -29.4788 -29.4753 -29.4753 -12.2855 -12.2855 -12.2649 -12.2649 -11.1599 -11.1599 -11.1382 -11.1382 -11.1248 -11.1248 -11.1189 -11.1189 -7.5388 -7.5388 -7.4287 -7.4287 1.6563 1.6563 1.7541 1.7541 2.7113 2.7113 2.7848 2.7848 3.2090 3.2090 3.4993 3.4993 4.7639 4.7639 5.0058 5.0058 7.1860 7.1860 8.4245 8.4245 9.1465 9.1465 9.3273 9.3273 k = 0.0196 0.0196 0.2586 ( 5688 PWs) bands (ev): -29.4788 -29.4788 -29.4754 -29.4754 -12.2850 -12.2850 -12.2646 -12.2646 -11.1594 -11.1594 -11.1357 -11.1357 -11.1263 -11.1263 -11.1179 -11.1179 -7.5423 -7.5423 -7.4320 -7.4320 1.6676 1.6676 1.7451 1.7451 2.7186 2.7186 2.7947 2.7947 3.2162 3.2162 3.5178 3.5178 4.7587 4.7587 5.0071 5.0071 7.1639 7.1639 8.4001 8.4001 9.1884 9.1884 9.3215 9.3215 k = 0.0098 0.0098 0.2586 ( 5692 PWs) bands (ev): -29.4788 -29.4788 -29.4754 -29.4754 -12.2847 -12.2847 -12.2644 -12.2644 -11.1592 -11.1592 -11.1337 -11.1337 -11.1279 -11.1279 -11.1173 -11.1173 -7.5445 -7.5445 -7.4341 -7.4341 1.6758 1.6758 1.7382 1.7382 2.7228 2.7228 2.8009 2.8009 3.2206 3.2206 3.5292 3.5292 4.7554 4.7554 5.0079 5.0079 7.1506 7.1506 8.3852 8.3852 9.2211 9.2211 9.3179 9.3179 k = 0.0000 0.0000 0.2586 ( 5690 PWs) bands (ev): -29.4789 -29.4789 -29.4754 -29.4754 -12.2846 -12.2846 -12.2644 -12.2644 -11.1591 -11.1591 -11.1326 -11.1326 -11.1288 -11.1288 -11.1170 -11.1170 -7.5452 -7.5452 -7.4348 -7.4348 1.6790 1.6790 1.7354 1.7354 2.7242 2.7242 2.8030 2.8030 3.2221 3.2221 3.5330 3.5330 4.7543 4.7543 5.0081 5.0081 7.1461 7.1461 8.3801 8.3801 9.2340 9.2340 9.3167 9.3167 k = 0.0000 0.5000-0.0000 ( 5738 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3228 -12.3228 -12.3228 -12.3228 -11.2659 -11.2659 -11.2659 -11.2659 -11.1103 -11.1103 -11.1103 -11.1103 -7.1234 -7.1234 -7.1234 -7.1234 1.0528 1.0528 1.0528 1.0528 2.3294 2.3294 2.3294 2.3294 2.8032 2.8032 2.8032 2.8032 4.8631 4.8631 4.8631 4.8631 8.5418 8.5418 8.5418 8.5418 9.3338 9.3338 9.3338 9.3338 k = 0.0000 0.5000 0.0136 ( 5740 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3228 -12.3228 -12.3228 -12.3228 -11.2659 -11.2659 -11.2659 -11.2659 -11.1103 -11.1103 -11.1103 -11.1103 -7.1234 -7.1234 -7.1234 -7.1234 1.0521 1.0521 1.0521 1.0521 2.3303 2.3303 2.3303 2.3303 2.8039 2.8039 2.8039 2.8039 4.8610 4.8610 4.8610 4.8610 8.5458 8.5458 8.5458 8.5458 9.3343 9.3343 9.3343 9.3343 k = 0.0000 0.5000 0.0272 ( 5740 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3228 -12.3228 -12.3228 -12.3228 -11.2659 -11.2659 -11.2659 -11.2659 -11.1103 -11.1103 -11.1103 -11.1103 -7.1234 -7.1234 -7.1234 -7.1234 1.0500 1.0500 1.0500 1.0500 2.3328 2.3328 2.3328 2.3328 2.8062 2.8062 2.8062 2.8062 4.8548 4.8548 4.8548 4.8548 8.5577 8.5577 8.5577 8.5577 9.3360 9.3360 9.3360 9.3360 k = 0.0000 0.5000 0.0408 ( 5740 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3228 -12.3228 -12.3228 -12.3228 -11.2659 -11.2659 -11.2659 -11.2659 -11.1102 -11.1102 -11.1102 -11.1102 -7.1233 -7.1233 -7.1233 -7.1233 1.0465 1.0465 1.0465 1.0465 2.3367 2.3367 2.3367 2.3367 2.8099 2.8099 2.8099 2.8099 4.8447 4.8447 4.8447 4.8447 8.5772 8.5772 8.5772 8.5772 9.3389 9.3389 9.3389 9.3389 k = 0.0000 0.5000 0.0545 ( 5736 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3228 -12.3228 -12.3228 -12.3228 -11.2660 -11.2660 -11.2660 -11.2660 -11.1102 -11.1102 -11.1102 -11.1102 -7.1232 -7.1232 -7.1232 -7.1232 1.0419 1.0419 1.0419 1.0419 2.3421 2.3421 2.3421 2.3421 2.8150 2.8150 2.8150 2.8150 4.8310 4.8310 4.8310 4.8310 8.6038 8.6038 8.6038 8.6038 9.3431 9.3431 9.3431 9.3431 k = 0.0000 0.5000 0.0681 ( 5738 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3228 -12.3228 -12.3228 -12.3228 -11.2660 -11.2660 -11.2660 -11.2660 -11.1101 -11.1101 -11.1101 -11.1101 -7.1231 -7.1231 -7.1231 -7.1231 1.0363 1.0363 1.0363 1.0363 2.3485 2.3485 2.3485 2.3485 2.8216 2.8216 2.8216 2.8216 4.8140 4.8140 4.8140 4.8140 8.6369 8.6369 8.6369 8.6369 9.3487 9.3487 9.3487 9.3487 k = 0.0000 0.5000 0.0817 ( 5732 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3228 -12.3228 -12.3228 -12.3228 -11.2661 -11.2661 -11.2661 -11.2661 -11.1101 -11.1101 -11.1101 -11.1101 -7.1230 -7.1230 -7.1230 -7.1230 1.0298 1.0298 1.0298 1.0298 2.3558 2.3558 2.3558 2.3558 2.8296 2.8296 2.8296 2.8296 4.7942 4.7942 4.7942 4.7942 8.6755 8.6755 8.6755 8.6755 9.3561 9.3561 9.3561 9.3561 k = 0.0000 0.5000 0.0953 ( 5736 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3229 -12.3229 -12.3229 -12.3229 -11.2661 -11.2661 -11.2661 -11.2661 -11.1100 -11.1100 -11.1100 -11.1100 -7.1229 -7.1229 -7.1229 -7.1229 1.0226 1.0226 1.0226 1.0226 2.3636 2.3636 2.3636 2.3636 2.8389 2.8389 2.8389 2.8389 4.7721 4.7721 4.7721 4.7721 8.7187 8.7187 8.7187 8.7187 9.3655 9.3655 9.3655 9.3655 k = 0.0000 0.5000 0.1089 ( 5730 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3229 -12.3229 -12.3229 -12.3229 -11.2662 -11.2662 -11.2662 -11.2662 -11.1099 -11.1099 -11.1099 -11.1099 -7.1227 -7.1227 -7.1227 -7.1227 1.0151 1.0151 1.0151 1.0151 2.3716 2.3716 2.3716 2.3716 2.8493 2.8493 2.8493 2.8493 4.7484 4.7484 4.7484 4.7484 8.7650 8.7650 8.7650 8.7650 9.3775 9.3775 9.3775 9.3775 k = 0.0000 0.5000 0.1225 ( 5738 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3229 -12.3229 -12.3229 -12.3229 -11.2663 -11.2663 -11.2663 -11.2663 -11.1098 -11.1098 -11.1098 -11.1098 -7.1226 -7.1226 -7.1226 -7.1226 1.0073 1.0073 1.0073 1.0073 2.3797 2.3797 2.3797 2.3797 2.8606 2.8606 2.8606 2.8606 4.7236 4.7236 4.7236 4.7236 8.8130 8.8130 8.8130 8.8130 9.3924 9.3924 9.3924 9.3924 k = 0.0000 0.5000 0.1361 ( 5738 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3229 -12.3229 -12.3229 -12.3229 -11.2663 -11.2663 -11.2663 -11.2663 -11.1098 -11.1098 -11.1098 -11.1098 -7.1224 -7.1224 -7.1224 -7.1224 0.9995 0.9995 0.9995 0.9995 2.3874 2.3874 2.3874 2.3874 2.8726 2.8726 2.8726 2.8726 4.6984 4.6984 4.6984 4.6984 8.8609 8.8609 8.8609 8.8609 9.4109 9.4109 9.4109 9.4109 k = 0.0000 0.5000 0.1497 ( 5738 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3229 -12.3229 -12.3229 -12.3229 -11.2664 -11.2664 -11.2664 -11.2664 -11.1097 -11.1097 -11.1097 -11.1097 -7.1222 -7.1222 -7.1222 -7.1222 0.9920 0.9920 0.9920 0.9920 2.3948 2.3948 2.3948 2.3948 2.8850 2.8850 2.8850 2.8850 4.6734 4.6734 4.6734 4.6734 8.9070 8.9070 8.9070 8.9070 9.4335 9.4335 9.4335 9.4335 k = 0.0000 0.5000 0.1634 ( 5734 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3230 -12.3230 -12.3230 -12.3230 -11.2665 -11.2665 -11.2665 -11.2665 -11.1096 -11.1096 -11.1096 -11.1096 -7.1221 -7.1221 -7.1221 -7.1221 0.9849 0.9849 0.9849 0.9849 2.4014 2.4014 2.4014 2.4014 2.8973 2.8973 2.8973 2.8973 4.6494 4.6494 4.6494 4.6494 8.9493 8.9493 8.9493 8.9493 9.4605 9.4605 9.4605 9.4605 k = 0.0000 0.5000 0.1770 ( 5728 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3230 -12.3230 -12.3230 -12.3230 -11.2665 -11.2665 -11.2665 -11.2665 -11.1095 -11.1095 -11.1095 -11.1095 -7.1219 -7.1219 -7.1219 -7.1219 0.9784 0.9784 0.9784 0.9784 2.4074 2.4074 2.4074 2.4074 2.9093 2.9093 2.9093 2.9093 4.6269 4.6269 4.6269 4.6269 8.9864 8.9864 8.9864 8.9864 9.4915 9.4915 9.4915 9.4915 k = 0.0000 0.5000 0.1906 ( 5736 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3230 -12.3230 -12.3230 -12.3230 -11.2666 -11.2666 -11.2666 -11.2666 -11.1095 -11.1095 -11.1095 -11.1095 -7.1218 -7.1218 -7.1218 -7.1218 0.9726 0.9726 0.9726 0.9726 2.4125 2.4125 2.4125 2.4125 2.9205 2.9205 2.9205 2.9205 4.6067 4.6067 4.6067 4.6067 9.0175 9.0175 9.0175 9.0175 9.5253 9.5253 9.5253 9.5253 k = 0.0000 0.5000 0.2042 ( 5728 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3230 -12.3230 -12.3230 -12.3230 -11.2666 -11.2666 -11.2666 -11.2666 -11.1094 -11.1094 -11.1094 -11.1094 -7.1217 -7.1217 -7.1217 -7.1217 0.9677 0.9677 0.9677 0.9677 2.4168 2.4168 2.4168 2.4168 2.9303 2.9303 2.9303 2.9303 4.5892 4.5892 4.5892 4.5892 9.0422 9.0422 9.0422 9.0422 9.5599 9.5599 9.5599 9.5599 k = 0.0000 0.5000 0.2178 ( 5724 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3230 -12.3230 -12.3230 -12.3230 -11.2667 -11.2667 -11.2667 -11.2667 -11.1094 -11.1094 -11.1094 -11.1094 -7.1216 -7.1216 -7.1216 -7.1216 0.9637 0.9637 0.9637 0.9637 2.4201 2.4201 2.4201 2.4201 2.9385 2.9385 2.9385 2.9385 4.5750 4.5750 4.5750 4.5750 9.0606 9.0606 9.0606 9.0606 9.5921 9.5921 9.5921 9.5921 k = 0.0000 0.5000 0.2314 ( 5718 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3230 -12.3230 -12.3230 -12.3230 -11.2667 -11.2667 -11.2667 -11.2667 -11.1093 -11.1093 -11.1093 -11.1093 -7.1216 -7.1216 -7.1216 -7.1216 0.9609 0.9609 0.9609 0.9609 2.4224 2.4224 2.4224 2.4224 2.9446 2.9446 2.9446 2.9446 4.5645 4.5645 4.5645 4.5645 9.0733 9.0733 9.0733 9.0733 9.6185 9.6185 9.6185 9.6185 k = 0.0000 0.5000 0.2450 ( 5728 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3230 -12.3230 -12.3230 -12.3230 -11.2667 -11.2667 -11.2667 -11.2667 -11.1093 -11.1093 -11.1093 -11.1093 -7.1215 -7.1215 -7.1215 -7.1215 0.9591 0.9591 0.9591 0.9591 2.4239 2.4239 2.4239 2.4239 2.9484 2.9484 2.9484 2.9484 4.5581 4.5581 4.5581 4.5581 9.0807 9.0807 9.0807 9.0807 9.6361 9.6361 9.6361 9.6361 k = 0.0000 0.5000 0.2586 ( 5720 PWs) bands (ev): -29.4726 -29.4726 -29.4726 -29.4726 -12.3230 -12.3230 -12.3230 -12.3230 -11.2667 -11.2667 -11.2667 -11.2667 -11.1093 -11.1093 -11.1093 -11.1093 -7.1215 -7.1215 -7.1215 -7.1215 0.9585 0.9585 0.9585 0.9585 2.4243 2.4243 2.4243 2.4243 2.9496 2.9496 2.9496 2.9496 4.5560 4.5560 4.5560 4.5560 9.0832 9.0832 9.0832 9.0832 9.6422 9.6422 9.6422 9.6422 k = 0.5000 0.5000-0.0000 ( 5760 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3229 -12.3229 -12.3229 -12.3229 -11.2364 -11.2364 -11.2364 -11.2364 -11.1447 -11.1447 -11.1447 -11.1447 -7.2735 -7.2735 -7.2735 -7.2735 1.4833 1.4833 1.4833 1.4833 2.2321 2.2321 2.2321 2.2321 2.9624 2.9624 2.9624 2.9624 4.1151 4.1151 4.1151 4.1151 8.3107 8.3107 8.3107 8.3107 10.4701 10.4701 10.4701 10.4701 k = 0.5000 0.5000 0.0136 ( 5760 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3229 -12.3229 -12.3229 -12.3229 -11.2364 -11.2364 -11.2364 -11.2364 -11.1447 -11.1447 -11.1447 -11.1447 -7.2735 -7.2735 -7.2735 -7.2735 1.4834 1.4834 1.4834 1.4834 2.2319 2.2319 2.2319 2.2319 2.9619 2.9619 2.9619 2.9619 4.1158 4.1158 4.1158 4.1158 8.3147 8.3147 8.3147 8.3147 10.4504 10.4504 10.4504 10.4504 k = 0.5000 0.5000 0.0272 ( 5784 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3229 -12.3229 -12.3229 -12.3229 -11.2364 -11.2364 -11.2364 -11.2364 -11.1447 -11.1447 -11.1447 -11.1447 -7.2735 -7.2735 -7.2735 -7.2735 1.4835 1.4835 1.4835 1.4835 2.2310 2.2310 2.2310 2.2310 2.9603 2.9603 2.9603 2.9603 4.1178 4.1178 4.1178 4.1178 8.3266 8.3266 8.3266 8.3266 10.3996 10.3996 10.3996 10.3996 k = 0.5000 0.5000 0.0408 ( 5780 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3229 -12.3229 -12.3229 -12.3229 -11.2363 -11.2363 -11.2363 -11.2363 -11.1447 -11.1447 -11.1447 -11.1447 -7.2734 -7.2734 -7.2734 -7.2734 1.4839 1.4839 1.4839 1.4839 2.2295 2.2295 2.2295 2.2295 2.9578 2.9578 2.9578 2.9578 4.1211 4.1211 4.1211 4.1211 8.3462 8.3462 8.3462 8.3462 10.3320 10.3320 10.3320 10.3320 k = 0.5000 0.5000 0.0545 ( 5772 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3229 -12.3229 -12.3229 -12.3229 -11.2363 -11.2363 -11.2363 -11.2363 -11.1447 -11.1447 -11.1447 -11.1447 -7.2733 -7.2733 -7.2733 -7.2733 1.4843 1.4843 1.4843 1.4843 2.2276 2.2276 2.2276 2.2276 2.9543 2.9543 2.9543 2.9543 4.1257 4.1257 4.1257 4.1257 8.3735 8.3735 8.3735 8.3735 10.2571 10.2571 10.2571 10.2571 k = 0.5000 0.5000 0.0681 ( 5756 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3229 -12.3229 -12.3229 -12.3229 -11.2363 -11.2363 -11.2363 -11.2363 -11.1447 -11.1447 -11.1447 -11.1447 -7.2732 -7.2732 -7.2732 -7.2732 1.4848 1.4848 1.4848 1.4848 2.2252 2.2252 2.2252 2.2252 2.9501 2.9501 2.9501 2.9501 4.1313 4.1313 4.1313 4.1313 8.4081 8.4081 8.4081 8.4081 10.1800 10.1800 10.1800 10.1800 k = 0.5000 0.5000 0.0817 ( 5772 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3229 -12.3229 -12.3229 -12.3229 -11.2363 -11.2363 -11.2363 -11.2363 -11.1448 -11.1448 -11.1448 -11.1448 -7.2731 -7.2731 -7.2731 -7.2731 1.4855 1.4855 1.4855 1.4855 2.2224 2.2224 2.2224 2.2224 2.9452 2.9452 2.9452 2.9452 4.1378 4.1378 4.1378 4.1378 8.4498 8.4498 8.4498 8.4498 10.1037 10.1037 10.1037 10.1037 k = 0.5000 0.5000 0.0953 ( 5780 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3229 -12.3229 -12.3229 -12.3229 -11.2363 -11.2363 -11.2363 -11.2363 -11.1448 -11.1448 -11.1448 -11.1448 -7.2729 -7.2729 -7.2729 -7.2729 1.4862 1.4862 1.4862 1.4862 2.2193 2.2193 2.2193 2.2193 2.9397 2.9397 2.9397 2.9397 4.1451 4.1451 4.1451 4.1451 8.4981 8.4981 8.4981 8.4981 10.0298 10.0298 10.0298 10.0298 k = 0.5000 0.5000 0.1089 ( 5780 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3229 -12.3229 -12.3229 -12.3229 -11.2363 -11.2363 -11.2363 -11.2363 -11.1449 -11.1449 -11.1449 -11.1449 -7.2728 -7.2728 -7.2728 -7.2728 1.4869 1.4869 1.4869 1.4869 2.2160 2.2160 2.2160 2.2160 2.9339 2.9339 2.9339 2.9339 4.1529 4.1529 4.1529 4.1529 8.5525 8.5525 8.5525 8.5525 9.9592 9.9592 9.9592 9.9592 k = 0.5000 0.5000 0.1225 ( 5788 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3229 -12.3229 -12.3229 -12.3229 -11.2363 -11.2363 -11.2363 -11.2363 -11.1449 -11.1449 -11.1449 -11.1449 -7.2726 -7.2726 -7.2726 -7.2726 1.4877 1.4877 1.4877 1.4877 2.2126 2.2126 2.2126 2.2126 2.9278 2.9278 2.9278 2.9278 4.1611 4.1611 4.1611 4.1611 8.6123 8.6123 8.6123 8.6123 9.8930 9.8930 9.8930 9.8930 k = 0.5000 0.5000 0.1361 ( 5792 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3229 -12.3229 -12.3229 -12.3229 -11.2363 -11.2363 -11.2363 -11.2363 -11.1449 -11.1449 -11.1449 -11.1449 -7.2724 -7.2724 -7.2724 -7.2724 1.4885 1.4885 1.4885 1.4885 2.2091 2.2091 2.2091 2.2091 2.9218 2.9218 2.9218 2.9218 4.1693 4.1693 4.1693 4.1693 8.6769 8.6769 8.6769 8.6769 9.8315 9.8315 9.8315 9.8315 k = 0.5000 0.5000 0.1497 ( 5776 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3229 -12.3229 -12.3229 -12.3229 -11.2362 -11.2362 -11.2362 -11.2362 -11.1450 -11.1450 -11.1450 -11.1450 -7.2723 -7.2723 -7.2723 -7.2723 1.4893 1.4893 1.4893 1.4893 2.2057 2.2057 2.2057 2.2057 2.9158 2.9158 2.9158 2.9158 4.1775 4.1775 4.1775 4.1775 8.7452 8.7452 8.7452 8.7452 9.7754 9.7754 9.7754 9.7754 k = 0.5000 0.5000 0.1634 ( 5776 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3229 -12.3229 -12.3229 -12.3229 -11.2362 -11.2362 -11.2362 -11.2362 -11.1450 -11.1450 -11.1450 -11.1450 -7.2721 -7.2721 -7.2721 -7.2721 1.4901 1.4901 1.4901 1.4901 2.2025 2.2025 2.2025 2.2025 2.9101 2.9101 2.9101 2.9101 4.1853 4.1853 4.1853 4.1853 8.8159 8.8159 8.8159 8.8159 9.7250 9.7250 9.7250 9.7250 k = 0.5000 0.5000 0.1770 ( 5780 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3229 -12.3229 -12.3229 -12.3229 -11.2362 -11.2362 -11.2362 -11.2362 -11.1451 -11.1451 -11.1451 -11.1451 -7.2719 -7.2719 -7.2719 -7.2719 1.4908 1.4908 1.4908 1.4908 2.1995 2.1995 2.1995 2.1995 2.9048 2.9048 2.9048 2.9048 4.1925 4.1925 4.1925 4.1925 8.8875 8.8875 8.8875 8.8875 9.6808 9.6808 9.6808 9.6808 k = 0.5000 0.5000 0.1906 ( 5772 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3229 -12.3229 -12.3229 -12.3229 -11.2362 -11.2362 -11.2362 -11.2362 -11.1451 -11.1451 -11.1451 -11.1451 -7.2718 -7.2718 -7.2718 -7.2718 1.4914 1.4914 1.4914 1.4914 2.1968 2.1968 2.1968 2.1968 2.9001 2.9001 2.9001 2.9001 4.1990 4.1990 4.1990 4.1990 8.9578 8.9578 8.9578 8.9578 9.6430 9.6430 9.6430 9.6430 k = 0.5000 0.5000 0.2042 ( 5772 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3229 -12.3229 -12.3229 -12.3229 -11.2362 -11.2362 -11.2362 -11.2362 -11.1451 -11.1451 -11.1451 -11.1451 -7.2717 -7.2717 -7.2717 -7.2717 1.4920 1.4920 1.4920 1.4920 2.1945 2.1945 2.1945 2.1945 2.8961 2.8961 2.8961 2.8961 4.2046 4.2046 4.2046 4.2046 9.0242 9.0242 9.0242 9.0242 9.6119 9.6119 9.6119 9.6119 k = 0.5000 0.5000 0.2178 ( 5772 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3229 -12.3229 -12.3229 -12.3229 -11.2362 -11.2362 -11.2362 -11.2362 -11.1451 -11.1451 -11.1451 -11.1451 -7.2716 -7.2716 -7.2716 -7.2716 1.4924 1.4924 1.4924 1.4924 2.1926 2.1926 2.1926 2.1926 2.8929 2.8929 2.8929 2.8929 4.2091 4.2091 4.2091 4.2091 9.0830 9.0830 9.0830 9.0830 9.5877 9.5877 9.5877 9.5877 k = 0.5000 0.5000 0.2314 ( 5760 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3229 -12.3229 -12.3229 -12.3229 -11.2362 -11.2362 -11.2362 -11.2362 -11.1452 -11.1452 -11.1452 -11.1452 -7.2715 -7.2715 -7.2715 -7.2715 1.4928 1.4928 1.4928 1.4928 2.1913 2.1913 2.1913 2.1913 2.8905 2.8905 2.8905 2.8905 4.2124 4.2124 4.2124 4.2124 9.1300 9.1300 9.1300 9.1300 9.5706 9.5706 9.5706 9.5706 k = 0.5000 0.5000 0.2450 ( 5768 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3229 -12.3229 -12.3229 -12.3229 -11.2362 -11.2362 -11.2362 -11.2362 -11.1452 -11.1452 -11.1452 -11.1452 -7.2715 -7.2715 -7.2715 -7.2715 1.4930 1.4930 1.4930 1.4930 2.1904 2.1904 2.1904 2.1904 2.8891 2.8891 2.8891 2.8891 4.2145 4.2145 4.2145 4.2145 9.1607 9.1607 9.1607 9.1607 9.5604 9.5604 9.5604 9.5604 k = 0.5000 0.5000 0.2586 ( 5776 PWs) bands (ev): -29.4683 -29.4683 -29.4683 -29.4683 -12.3229 -12.3229 -12.3229 -12.3229 -11.2362 -11.2362 -11.2362 -11.2362 -11.1452 -11.1452 -11.1452 -11.1452 -7.2715 -7.2715 -7.2715 -7.2715 1.4930 1.4930 1.4930 1.4930 2.1901 2.1901 2.1901 2.1901 2.8886 2.8886 2.8886 2.8886 4.2151 4.2151 4.2151 4.2151 9.1714 9.1714 9.1714 9.1714 9.5570 9.5570 9.5570 9.5570 Writing output data file SrHI.save init_run : 1.04s CPU 0.62s WALL ( 1 calls) electrons : 407.46s CPU 323.57s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.18s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 407.46s CPU 323.56s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.23s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.24s CPU 0.32s WALL ( 312 calls) cegterg : 360.47s CPU 296.76s WALL ( 499 calls) Called by sum_band: Called by *egterg: h_psi : 214.43s CPU 155.41s WALL ( 8336 calls) s_psi : 6.62s CPU 4.84s WALL ( 8336 calls) g_psi : 0.19s CPU 0.16s WALL ( 7525 calls) cdiaghg : 150.00s CPU 133.56s WALL ( 7837 calls) cegterg:over : 13.12s CPU 10.92s WALL ( 7525 calls) cegterg:upda : 7.23s CPU 5.84s WALL ( 7525 calls) cegterg:last : 3.96s CPU 3.69s WALL ( 1352 calls) cdiaghg:chol : 5.36s CPU 4.66s WALL ( 7837 calls) cdiaghg:inve : 2.42s CPU 2.20s WALL ( 7837 calls) cdiaghg:para : 9.42s CPU 8.98s WALL ( 15674 calls) Called by h_psi: h_psi:vloc : 197.12s CPU 142.65s WALL ( 8336 calls) h_psi:vnl : 17.18s CPU 12.61s WALL ( 8336 calls) add_vuspsi : 9.49s CPU 6.66s WALL ( 8336 calls) General routines calbec : 7.67s CPU 5.92s WALL ( 8336 calls) fft : 0.13s CPU 0.07s WALL ( 19 calls) ffts : 0.04s CPU 0.02s WALL ( 4 calls) fftw : 192.84s CPU 139.66s WALL ( 685188 calls) interpolate : 0.05s CPU 0.03s WALL ( 4 calls) davcio : 0.30s CPU 0.78s WALL ( 624 calls) Parallel routines fft_scatter : 146.30s CPU 110.44s WALL ( 685211 calls) PWSCF : 7m28.68s CPU 6m25.85s WALL This run was terminated on: 23:24:54 28Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=