Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 13:55:33 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BaHBr.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 40 32 9 1864 1377 213 Max 41 33 10 1869 1391 222 Sum 1449 1185 349 67149 49847 7839 bravais-lattice index = 14 lattice parameter (alat) = 8.6247 a.u. unit-cell volume = 1044.1423 (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 = 50.0000 Ry charge density cutoff = 244.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 8.624709 celldm(2)= 1.000000 celldm(3)= 1.627520 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 1.627520 ) 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 0.614432 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 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 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 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. # 3 for Br read from file: /users/gautes/Pseudo/Br.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5d639767687de88634f0d235e6526498 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 1213 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Ba 10.00 137.32700 Ba( 1.00) H 1.00 1.00790 H( 1.00) Br 7.00 79.90400 Br( 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= 313 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0000000 0.0142857 -0.0000000), wk = 0.0031949 k( 3) = ( 0.0000000 0.0285714 -0.0000000), wk = 0.0031949 k( 4) = ( 0.0000000 0.0428571 -0.0000000), wk = 0.0031949 k( 5) = ( 0.0000000 0.0571429 -0.0000000), wk = 0.0031949 k( 6) = ( 0.0000000 0.0714286 -0.0000000), wk = 0.0031949 k( 7) = ( 0.0000000 0.0857143 -0.0000000), wk = 0.0031949 k( 8) = ( 0.0000000 0.1000000 -0.0000000), wk = 0.0031949 k( 9) = ( 0.0000000 0.1142857 -0.0000000), wk = 0.0031949 k( 10) = ( 0.0000000 0.1285714 -0.0000000), wk = 0.0031949 k( 11) = ( 0.0000000 0.1428571 -0.0000000), wk = 0.0031949 k( 12) = ( 0.0000000 0.1571429 -0.0000000), wk = 0.0031949 k( 13) = ( 0.0000000 0.1714286 -0.0000000), wk = 0.0031949 k( 14) = ( 0.0000000 0.1857143 -0.0000000), wk = 0.0031949 k( 15) = ( 0.0000000 0.2000000 -0.0000000), wk = 0.0031949 k( 16) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0031949 k( 17) = ( 0.0000000 0.2285714 -0.0000000), wk = 0.0031949 k( 18) = ( 0.0000000 0.2428571 -0.0000000), wk = 0.0031949 k( 19) = ( 0.0000000 0.2571429 -0.0000000), wk = 0.0031949 k( 20) = ( 0.0000000 0.2714286 -0.0000000), wk = 0.0031949 k( 21) = ( 0.0000000 0.2857143 -0.0000000), wk = 0.0031949 k( 22) = ( 0.0000000 0.3000000 -0.0000000), wk = 0.0031949 k( 23) = ( 0.0000000 0.3142857 -0.0000000), wk = 0.0031949 k( 24) = ( 0.0000000 0.3285714 -0.0000000), wk = 0.0031949 k( 25) = ( 0.0000000 0.3428571 -0.0000000), wk = 0.0031949 k( 26) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0031949 k( 27) = ( 0.0000000 0.3714286 -0.0000000), wk = 0.0031949 k( 28) = ( 0.0000000 0.3857143 -0.0000000), wk = 0.0031949 k( 29) = ( 0.0000000 0.4000000 -0.0000000), wk = 0.0031949 k( 30) = ( 0.0000000 0.4142857 -0.0000000), wk = 0.0031949 k( 31) = ( 0.0000000 0.4285714 -0.0000000), wk = 0.0031949 k( 32) = ( 0.0000000 0.4428571 -0.0000000), wk = 0.0031949 k( 33) = ( 0.0000000 0.4571429 -0.0000000), wk = 0.0031949 k( 34) = ( 0.0000000 0.4714286 -0.0000000), wk = 0.0031949 k( 35) = ( 0.0000000 0.4857143 -0.0000000), wk = 0.0031949 k( 36) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031949 k( 37) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031949 k( 38) = ( 0.0142857 0.5000000 -0.0000000), wk = 0.0031949 k( 39) = ( 0.0285714 0.5000000 -0.0000000), wk = 0.0031949 k( 40) = ( 0.0428571 0.5000000 -0.0000000), wk = 0.0031949 k( 41) = ( 0.0571429 0.5000000 -0.0000000), wk = 0.0031949 k( 42) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0031949 k( 43) = ( 0.0857143 0.5000000 -0.0000000), wk = 0.0031949 k( 44) = ( 0.1000000 0.5000000 -0.0000000), wk = 0.0031949 k( 45) = ( 0.1142857 0.5000000 -0.0000000), wk = 0.0031949 k( 46) = ( 0.1285714 0.5000000 -0.0000000), wk = 0.0031949 k( 47) = ( 0.1428571 0.5000000 -0.0000000), wk = 0.0031949 k( 48) = ( 0.1571429 0.5000000 -0.0000000), wk = 0.0031949 k( 49) = ( 0.1714286 0.5000000 -0.0000000), wk = 0.0031949 k( 50) = ( 0.1857143 0.5000000 -0.0000000), wk = 0.0031949 k( 51) = ( 0.2000000 0.5000000 -0.0000000), wk = 0.0031949 k( 52) = ( 0.2142857 0.5000000 -0.0000000), wk = 0.0031949 k( 53) = ( 0.2285714 0.5000000 -0.0000000), wk = 0.0031949 k( 54) = ( 0.2428571 0.5000000 -0.0000000), wk = 0.0031949 k( 55) = ( 0.2571429 0.5000000 -0.0000000), wk = 0.0031949 k( 56) = ( 0.2714286 0.5000000 -0.0000000), wk = 0.0031949 k( 57) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0031949 k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0031949 k( 59) = ( 0.3142857 0.5000000 -0.0000000), wk = 0.0031949 k( 60) = ( 0.3285714 0.5000000 -0.0000000), wk = 0.0031949 k( 61) = ( 0.3428571 0.5000000 -0.0000000), wk = 0.0031949 k( 62) = ( 0.3571429 0.5000000 -0.0000000), wk = 0.0031949 k( 63) = ( 0.3714286 0.5000000 -0.0000000), wk = 0.0031949 k( 64) = ( 0.3857143 0.5000000 -0.0000000), wk = 0.0031949 k( 65) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0031949 k( 66) = ( 0.4142857 0.5000000 -0.0000000), wk = 0.0031949 k( 67) = ( 0.4285714 0.5000000 -0.0000000), wk = 0.0031949 k( 68) = ( 0.4428571 0.5000000 -0.0000000), wk = 0.0031949 k( 69) = ( 0.4571429 0.5000000 -0.0000000), wk = 0.0031949 k( 70) = ( 0.4714286 0.5000000 -0.0000000), wk = 0.0031949 k( 71) = ( 0.4857143 0.5000000 -0.0000000), wk = 0.0031949 k( 72) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031949 k( 73) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031949 k( 74) = ( 0.4897959 0.4897959 -0.0000000), wk = 0.0031949 k( 75) = ( 0.4795918 0.4795918 -0.0000000), wk = 0.0031949 k( 76) = ( 0.4693878 0.4693878 -0.0000000), wk = 0.0031949 k( 77) = ( 0.4591837 0.4591837 -0.0000000), wk = 0.0031949 k( 78) = ( 0.4489796 0.4489796 -0.0000000), wk = 0.0031949 k( 79) = ( 0.4387755 0.4387755 -0.0000000), wk = 0.0031949 k( 80) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0031949 k( 81) = ( 0.4183674 0.4183673 -0.0000000), wk = 0.0031949 k( 82) = ( 0.4081633 0.4081633 -0.0000000), wk = 0.0031949 k( 83) = ( 0.3979592 0.3979592 -0.0000000), wk = 0.0031949 k( 84) = ( 0.3877551 0.3877551 -0.0000000), wk = 0.0031949 k( 85) = ( 0.3775510 0.3775510 -0.0000000), wk = 0.0031949 k( 86) = ( 0.3673469 0.3673469 -0.0000000), wk = 0.0031949 k( 87) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0031949 k( 88) = ( 0.3469388 0.3469388 -0.0000000), wk = 0.0031949 k( 89) = ( 0.3367347 0.3367347 -0.0000000), wk = 0.0031949 k( 90) = ( 0.3265306 0.3265306 -0.0000000), wk = 0.0031949 k( 91) = ( 0.3163265 0.3163265 -0.0000000), wk = 0.0031949 k( 92) = ( 0.3061224 0.3061224 -0.0000000), wk = 0.0031949 k( 93) = ( 0.2959184 0.2959184 -0.0000000), wk = 0.0031949 k( 94) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0031949 k( 95) = ( 0.2755102 0.2755102 -0.0000000), wk = 0.0031949 k( 96) = ( 0.2653061 0.2653061 -0.0000000), wk = 0.0031949 k( 97) = ( 0.2551020 0.2551020 -0.0000000), wk = 0.0031949 k( 98) = ( 0.2448980 0.2448980 -0.0000000), wk = 0.0031949 k( 99) = ( 0.2346939 0.2346939 -0.0000000), wk = 0.0031949 k( 100) = ( 0.2244898 0.2244898 -0.0000000), wk = 0.0031949 k( 101) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0031949 k( 102) = ( 0.2040816 0.2040816 -0.0000000), wk = 0.0031949 k( 103) = ( 0.1938776 0.1938775 -0.0000000), wk = 0.0031949 k( 104) = ( 0.1836735 0.1836735 -0.0000000), wk = 0.0031949 k( 105) = ( 0.1734694 0.1734694 -0.0000000), wk = 0.0031949 k( 106) = ( 0.1632653 0.1632653 -0.0000000), wk = 0.0031949 k( 107) = ( 0.1530612 0.1530612 -0.0000000), wk = 0.0031949 k( 108) = ( 0.1428571 0.1428571 -0.0000000), wk = 0.0031949 k( 109) = ( 0.1326531 0.1326531 -0.0000000), wk = 0.0031949 k( 110) = ( 0.1224490 0.1224490 -0.0000000), wk = 0.0031949 k( 111) = ( 0.1122449 0.1122449 -0.0000000), wk = 0.0031949 k( 112) = ( 0.1020408 0.1020408 -0.0000000), wk = 0.0031949 k( 113) = ( 0.0918367 0.0918367 -0.0000000), wk = 0.0031949 k( 114) = ( 0.0816327 0.0816326 -0.0000000), wk = 0.0031949 k( 115) = ( 0.0714286 0.0714286 -0.0000000), wk = 0.0031949 k( 116) = ( 0.0612245 0.0612245 -0.0000000), wk = 0.0031949 k( 117) = ( 0.0510204 0.0510204 -0.0000000), wk = 0.0031949 k( 118) = ( 0.0408163 0.0408163 -0.0000000), wk = 0.0031949 k( 119) = ( 0.0306122 0.0306122 -0.0000000), wk = 0.0031949 k( 120) = ( 0.0204082 0.0204082 -0.0000000), wk = 0.0031949 k( 121) = ( 0.0102041 0.0102041 -0.0000000), wk = 0.0031949 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 124) = ( 0.0000000 0.0000000 0.0139644), wk = 0.0031949 k( 125) = ( 0.0000000 0.0000000 0.0279287), wk = 0.0031949 k( 126) = ( 0.0000000 0.0000000 0.0418931), wk = 0.0031949 k( 127) = ( 0.0000000 0.0000000 0.0558574), wk = 0.0031949 k( 128) = ( 0.0000000 0.0000000 0.0698218), wk = 0.0031949 k( 129) = ( 0.0000000 0.0000000 0.0837862), wk = 0.0031949 k( 130) = ( 0.0000000 0.0000000 0.0977505), wk = 0.0031949 k( 131) = ( 0.0000000 0.0000000 0.1117149), wk = 0.0031949 k( 132) = ( 0.0000000 0.0000000 0.1256792), wk = 0.0031949 k( 133) = ( 0.0000000 0.0000000 0.1396436), wk = 0.0031949 k( 134) = ( 0.0000000 0.0000000 0.1536080), wk = 0.0031949 k( 135) = ( 0.0000000 0.0000000 0.1675723), wk = 0.0031949 k( 136) = ( 0.0000000 0.0000000 0.1815367), wk = 0.0031949 k( 137) = ( 0.0000000 0.0000000 0.1955011), wk = 0.0031949 k( 138) = ( 0.0000000 0.0000000 0.2094654), wk = 0.0031949 k( 139) = ( 0.0000000 0.0000000 0.2234298), wk = 0.0031949 k( 140) = ( 0.0000000 0.0000000 0.2373941), wk = 0.0031949 k( 141) = ( 0.0000000 0.0000000 0.2513585), wk = 0.0031949 k( 142) = ( 0.0000000 0.0000000 0.2653229), wk = 0.0031949 k( 143) = ( 0.0000000 0.0000000 0.2792872), wk = 0.0031949 k( 144) = ( 0.0000000 0.0000000 0.2932516), wk = 0.0031949 k( 145) = ( 0.0000000 0.0000000 0.3072159), wk = 0.0031949 k( 146) = ( 0.0000000 0.0000000 0.3072159), wk = 0.0031949 k( 147) = ( 0.0000000 0.0142857 0.3072159), wk = 0.0031949 k( 148) = ( 0.0000000 0.0285714 0.3072159), wk = 0.0031949 k( 149) = ( 0.0000000 0.0428571 0.3072159), wk = 0.0031949 k( 150) = ( 0.0000000 0.0571429 0.3072159), wk = 0.0031949 k( 151) = ( 0.0000000 0.0714286 0.3072159), wk = 0.0031949 k( 152) = ( 0.0000000 0.0857143 0.3072159), wk = 0.0031949 k( 153) = ( 0.0000000 0.1000000 0.3072159), wk = 0.0031949 k( 154) = ( 0.0000000 0.1142857 0.3072159), wk = 0.0031949 k( 155) = ( 0.0000000 0.1285714 0.3072159), wk = 0.0031949 k( 156) = ( 0.0000000 0.1428571 0.3072159), wk = 0.0031949 k( 157) = ( 0.0000000 0.1571429 0.3072159), wk = 0.0031949 k( 158) = ( 0.0000000 0.1714286 0.3072159), wk = 0.0031949 k( 159) = ( 0.0000000 0.1857143 0.3072159), wk = 0.0031949 k( 160) = ( 0.0000000 0.2000000 0.3072159), wk = 0.0031949 k( 161) = ( 0.0000000 0.2142857 0.3072159), wk = 0.0031949 k( 162) = ( 0.0000000 0.2285714 0.3072159), wk = 0.0031949 k( 163) = ( 0.0000000 0.2428571 0.3072159), wk = 0.0031949 k( 164) = ( 0.0000000 0.2571429 0.3072159), wk = 0.0031949 k( 165) = ( 0.0000000 0.2714286 0.3072159), wk = 0.0031949 k( 166) = ( 0.0000000 0.2857143 0.3072159), wk = 0.0031949 k( 167) = ( 0.0000000 0.3000000 0.3072159), wk = 0.0031949 k( 168) = ( 0.0000000 0.3142857 0.3072159), wk = 0.0031949 k( 169) = ( 0.0000000 0.3285714 0.3072159), wk = 0.0031949 k( 170) = ( 0.0000000 0.3428571 0.3072159), wk = 0.0031949 k( 171) = ( 0.0000000 0.3571429 0.3072159), wk = 0.0031949 k( 172) = ( 0.0000000 0.3714286 0.3072159), wk = 0.0031949 k( 173) = ( 0.0000000 0.3857143 0.3072159), wk = 0.0031949 k( 174) = ( 0.0000000 0.4000000 0.3072159), wk = 0.0031949 k( 175) = ( 0.0000000 0.4142857 0.3072159), wk = 0.0031949 k( 176) = ( 0.0000000 0.4285714 0.3072159), wk = 0.0031949 k( 177) = ( 0.0000000 0.4428571 0.3072159), wk = 0.0031949 k( 178) = ( 0.0000000 0.4571429 0.3072159), wk = 0.0031949 k( 179) = ( 0.0000000 0.4714286 0.3072159), wk = 0.0031949 k( 180) = ( 0.0000000 0.4857143 0.3072159), wk = 0.0031949 k( 181) = ( 0.0000000 0.5000000 0.3072159), wk = 0.0031949 k( 182) = ( 0.0000000 0.5000000 0.3072159), wk = 0.0031949 k( 183) = ( 0.0142857 0.5000000 0.3072159), wk = 0.0031949 k( 184) = ( 0.0285714 0.5000000 0.3072159), wk = 0.0031949 k( 185) = ( 0.0428571 0.5000000 0.3072159), wk = 0.0031949 k( 186) = ( 0.0571429 0.5000000 0.3072159), wk = 0.0031949 k( 187) = ( 0.0714286 0.5000000 0.3072159), wk = 0.0031949 k( 188) = ( 0.0857143 0.5000000 0.3072159), wk = 0.0031949 k( 189) = ( 0.1000000 0.5000000 0.3072159), wk = 0.0031949 k( 190) = ( 0.1142857 0.5000000 0.3072159), wk = 0.0031949 k( 191) = ( 0.1285714 0.5000000 0.3072159), wk = 0.0031949 k( 192) = ( 0.1428571 0.5000000 0.3072159), wk = 0.0031949 k( 193) = ( 0.1571429 0.5000000 0.3072159), wk = 0.0031949 k( 194) = ( 0.1714286 0.5000000 0.3072159), wk = 0.0031949 k( 195) = ( 0.1857143 0.5000000 0.3072159), wk = 0.0031949 k( 196) = ( 0.2000000 0.5000000 0.3072159), wk = 0.0031949 k( 197) = ( 0.2142857 0.5000000 0.3072159), wk = 0.0031949 k( 198) = ( 0.2285714 0.5000000 0.3072159), wk = 0.0031949 k( 199) = ( 0.2428571 0.5000000 0.3072159), wk = 0.0031949 k( 200) = ( 0.2571429 0.5000000 0.3072159), wk = 0.0031949 k( 201) = ( 0.2714286 0.5000000 0.3072159), wk = 0.0031949 k( 202) = ( 0.2857143 0.5000000 0.3072159), wk = 0.0031949 k( 203) = ( 0.3000000 0.5000000 0.3072159), wk = 0.0031949 k( 204) = ( 0.3142857 0.5000000 0.3072159), wk = 0.0031949 k( 205) = ( 0.3285714 0.5000000 0.3072159), wk = 0.0031949 k( 206) = ( 0.3428571 0.5000000 0.3072159), wk = 0.0031949 k( 207) = ( 0.3571429 0.5000000 0.3072159), wk = 0.0031949 k( 208) = ( 0.3714286 0.5000000 0.3072159), wk = 0.0031949 k( 209) = ( 0.3857143 0.5000000 0.3072159), wk = 0.0031949 k( 210) = ( 0.4000000 0.5000000 0.3072159), wk = 0.0031949 k( 211) = ( 0.4142857 0.5000000 0.3072159), wk = 0.0031949 k( 212) = ( 0.4285714 0.5000000 0.3072159), wk = 0.0031949 k( 213) = ( 0.4428571 0.5000000 0.3072159), wk = 0.0031949 k( 214) = ( 0.4571429 0.5000000 0.3072159), wk = 0.0031949 k( 215) = ( 0.4714286 0.5000000 0.3072159), wk = 0.0031949 k( 216) = ( 0.4857143 0.5000000 0.3072159), wk = 0.0031949 k( 217) = ( 0.5000000 0.5000000 0.3072159), wk = 0.0031949 k( 218) = ( 0.5000000 0.5000000 0.3072159), wk = 0.0031949 k( 219) = ( 0.4897959 0.4897959 0.3072159), wk = 0.0031949 k( 220) = ( 0.4795918 0.4795918 0.3072159), wk = 0.0031949 k( 221) = ( 0.4693878 0.4693878 0.3072159), wk = 0.0031949 k( 222) = ( 0.4591837 0.4591837 0.3072159), wk = 0.0031949 k( 223) = ( 0.4489796 0.4489796 0.3072159), wk = 0.0031949 k( 224) = ( 0.4387755 0.4387755 0.3072159), wk = 0.0031949 k( 225) = ( 0.4285714 0.4285714 0.3072159), wk = 0.0031949 k( 226) = ( 0.4183674 0.4183673 0.3072159), wk = 0.0031949 k( 227) = ( 0.4081633 0.4081633 0.3072159), wk = 0.0031949 k( 228) = ( 0.3979592 0.3979592 0.3072159), wk = 0.0031949 k( 229) = ( 0.3877551 0.3877551 0.3072159), wk = 0.0031949 k( 230) = ( 0.3775510 0.3775510 0.3072159), wk = 0.0031949 k( 231) = ( 0.3673469 0.3673469 0.3072159), wk = 0.0031949 k( 232) = ( 0.3571429 0.3571429 0.3072159), wk = 0.0031949 k( 233) = ( 0.3469388 0.3469388 0.3072159), wk = 0.0031949 k( 234) = ( 0.3367347 0.3367347 0.3072159), wk = 0.0031949 k( 235) = ( 0.3265306 0.3265306 0.3072159), wk = 0.0031949 k( 236) = ( 0.3163265 0.3163265 0.3072159), wk = 0.0031949 k( 237) = ( 0.3061224 0.3061224 0.3072159), wk = 0.0031949 k( 238) = ( 0.2959184 0.2959184 0.3072159), wk = 0.0031949 k( 239) = ( 0.2857143 0.2857143 0.3072159), wk = 0.0031949 k( 240) = ( 0.2755102 0.2755102 0.3072159), wk = 0.0031949 k( 241) = ( 0.2653061 0.2653061 0.3072159), wk = 0.0031949 k( 242) = ( 0.2551020 0.2551020 0.3072159), wk = 0.0031949 k( 243) = ( 0.2448980 0.2448980 0.3072159), wk = 0.0031949 k( 244) = ( 0.2346939 0.2346939 0.3072159), wk = 0.0031949 k( 245) = ( 0.2244898 0.2244898 0.3072159), wk = 0.0031949 k( 246) = ( 0.2142857 0.2142857 0.3072159), wk = 0.0031949 k( 247) = ( 0.2040816 0.2040816 0.3072159), wk = 0.0031949 k( 248) = ( 0.1938776 0.1938775 0.3072159), wk = 0.0031949 k( 249) = ( 0.1836735 0.1836735 0.3072159), wk = 0.0031949 k( 250) = ( 0.1734694 0.1734694 0.3072159), wk = 0.0031949 k( 251) = ( 0.1632653 0.1632653 0.3072159), wk = 0.0031949 k( 252) = ( 0.1530612 0.1530612 0.3072159), wk = 0.0031949 k( 253) = ( 0.1428571 0.1428571 0.3072159), wk = 0.0031949 k( 254) = ( 0.1326531 0.1326531 0.3072159), wk = 0.0031949 k( 255) = ( 0.1224490 0.1224490 0.3072159), wk = 0.0031949 k( 256) = ( 0.1122449 0.1122449 0.3072159), wk = 0.0031949 k( 257) = ( 0.1020408 0.1020408 0.3072159), wk = 0.0031949 k( 258) = ( 0.0918367 0.0918367 0.3072159), wk = 0.0031949 k( 259) = ( 0.0816327 0.0816326 0.3072159), wk = 0.0031949 k( 260) = ( 0.0714286 0.0714286 0.3072159), wk = 0.0031949 k( 261) = ( 0.0612245 0.0612245 0.3072159), wk = 0.0031949 k( 262) = ( 0.0510204 0.0510204 0.3072159), wk = 0.0031949 k( 263) = ( 0.0408163 0.0408163 0.3072159), wk = 0.0031949 k( 264) = ( 0.0306122 0.0306122 0.3072159), wk = 0.0031949 k( 265) = ( 0.0204082 0.0204082 0.3072159), wk = 0.0031949 k( 266) = ( 0.0102041 0.0102041 0.3072159), wk = 0.0031949 k( 267) = ( 0.0000000 0.0000000 0.3072159), wk = 0.0031949 k( 268) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0031949 k( 269) = ( 0.0000000 0.5000000 0.0139644), wk = 0.0031949 k( 270) = ( 0.0000000 0.5000000 0.0279287), wk = 0.0031949 k( 271) = ( 0.0000000 0.5000000 0.0418931), wk = 0.0031949 k( 272) = ( 0.0000000 0.5000000 0.0558574), wk = 0.0031949 k( 273) = ( 0.0000000 0.5000000 0.0698218), wk = 0.0031949 k( 274) = ( 0.0000000 0.5000000 0.0837862), wk = 0.0031949 k( 275) = ( 0.0000000 0.5000000 0.0977505), wk = 0.0031949 k( 276) = ( 0.0000000 0.5000000 0.1117149), wk = 0.0031949 k( 277) = ( 0.0000000 0.5000000 0.1256792), wk = 0.0031949 k( 278) = ( 0.0000000 0.5000000 0.1396436), wk = 0.0031949 k( 279) = ( 0.0000000 0.5000000 0.1536080), wk = 0.0031949 k( 280) = ( 0.0000000 0.5000000 0.1675723), wk = 0.0031949 k( 281) = ( 0.0000000 0.5000000 0.1815367), wk = 0.0031949 k( 282) = ( 0.0000000 0.5000000 0.1955011), wk = 0.0031949 k( 283) = ( 0.0000000 0.5000000 0.2094654), wk = 0.0031949 k( 284) = ( 0.0000000 0.5000000 0.2234298), wk = 0.0031949 k( 285) = ( 0.0000000 0.5000000 0.2373941), wk = 0.0031949 k( 286) = ( 0.0000000 0.5000000 0.2513585), wk = 0.0031949 k( 287) = ( 0.0000000 0.5000000 0.2653229), wk = 0.0031949 k( 288) = ( 0.0000000 0.5000000 0.2792872), wk = 0.0031949 k( 289) = ( 0.0000000 0.5000000 0.2932516), wk = 0.0031949 k( 290) = ( 0.0000000 0.5000000 0.3072159), wk = 0.0031949 k( 291) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031949 k( 292) = ( 0.5000000 0.5000000 0.0139644), wk = 0.0031949 k( 293) = ( 0.5000000 0.5000000 0.0279287), wk = 0.0031949 k( 294) = ( 0.5000000 0.5000000 0.0418931), wk = 0.0031949 k( 295) = ( 0.5000000 0.5000000 0.0558574), wk = 0.0031949 k( 296) = ( 0.5000000 0.5000000 0.0698218), wk = 0.0031949 k( 297) = ( 0.5000000 0.5000000 0.0837862), wk = 0.0031949 k( 298) = ( 0.5000000 0.5000000 0.0977505), wk = 0.0031949 k( 299) = ( 0.5000000 0.5000000 0.1117149), wk = 0.0031949 k( 300) = ( 0.5000000 0.5000000 0.1256792), wk = 0.0031949 k( 301) = ( 0.5000000 0.5000000 0.1396436), wk = 0.0031949 k( 302) = ( 0.5000000 0.5000000 0.1536080), wk = 0.0031949 k( 303) = ( 0.5000000 0.5000000 0.1675723), wk = 0.0031949 k( 304) = ( 0.5000000 0.5000000 0.1815367), wk = 0.0031949 k( 305) = ( 0.5000000 0.5000000 0.1955011), wk = 0.0031949 k( 306) = ( 0.5000000 0.5000000 0.2094654), wk = 0.0031949 k( 307) = ( 0.5000000 0.5000000 0.2234298), wk = 0.0031949 k( 308) = ( 0.5000000 0.5000000 0.2373941), wk = 0.0031949 k( 309) = ( 0.5000000 0.5000000 0.2513585), wk = 0.0031949 k( 310) = ( 0.5000000 0.5000000 0.2653229), wk = 0.0031949 k( 311) = ( 0.5000000 0.5000000 0.2792872), wk = 0.0031949 k( 312) = ( 0.5000000 0.5000000 0.2932516), wk = 0.0031949 k( 313) = ( 0.5000000 0.5000000 0.3072159), wk = 0.0031949 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 2) = ( 0.0000000 0.0142857 0.0000000), wk = 0.0031949 k( 3) = ( 0.0000000 0.0285714 -0.0000000), wk = 0.0031949 k( 4) = ( 0.0000000 0.0428571 0.0000000), wk = 0.0031949 k( 5) = ( 0.0000000 0.0571429 -0.0000000), wk = 0.0031949 k( 6) = ( 0.0000000 0.0714286 0.0000000), wk = 0.0031949 k( 7) = ( 0.0000000 0.0857143 0.0000000), wk = 0.0031949 k( 8) = ( 0.0000000 0.1000000 0.0000000), wk = 0.0031949 k( 9) = ( 0.0000000 0.1142857 0.0000000), wk = 0.0031949 k( 10) = ( 0.0000000 0.1285714 -0.0000000), wk = 0.0031949 k( 11) = ( 0.0000000 0.1428571 0.0000000), wk = 0.0031949 k( 12) = ( 0.0000000 0.1571429 0.0000000), wk = 0.0031949 k( 13) = ( 0.0000000 0.1714286 -0.0000000), wk = 0.0031949 k( 14) = ( 0.0000000 0.1857143 -0.0000000), wk = 0.0031949 k( 15) = ( 0.0000000 0.2000000 0.0000000), wk = 0.0031949 k( 16) = ( 0.0000000 0.2142857 -0.0000000), wk = 0.0031949 k( 17) = ( 0.0000000 0.2285714 -0.0000000), wk = 0.0031949 k( 18) = ( 0.0000000 0.2428571 0.0000000), wk = 0.0031949 k( 19) = ( 0.0000000 0.2571429 -0.0000000), wk = 0.0031949 k( 20) = ( 0.0000000 0.2714286 0.0000000), wk = 0.0031949 k( 21) = ( 0.0000000 0.2857143 0.0000000), wk = 0.0031949 k( 22) = ( 0.0000000 0.3000000 0.0000000), wk = 0.0031949 k( 23) = ( 0.0000000 0.3142857 -0.0000000), wk = 0.0031949 k( 24) = ( 0.0000000 0.3285714 -0.0000000), wk = 0.0031949 k( 25) = ( 0.0000000 0.3428571 -0.0000000), wk = 0.0031949 k( 26) = ( 0.0000000 0.3571429 -0.0000000), wk = 0.0031949 k( 27) = ( 0.0000000 0.3714286 0.0000000), wk = 0.0031949 k( 28) = ( 0.0000000 0.3857143 0.0000000), wk = 0.0031949 k( 29) = ( 0.0000000 0.4000000 0.0000000), wk = 0.0031949 k( 30) = ( 0.0000000 0.4142857 0.0000000), wk = 0.0031949 k( 31) = ( 0.0000000 0.4285714 0.0000000), wk = 0.0031949 k( 32) = ( 0.0000000 0.4428571 -0.0000000), wk = 0.0031949 k( 33) = ( 0.0000000 0.4571429 -0.0000000), wk = 0.0031949 k( 34) = ( 0.0000000 0.4714286 -0.0000000), wk = 0.0031949 k( 35) = ( 0.0000000 0.4857143 -0.0000000), wk = 0.0031949 k( 36) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031949 k( 37) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031949 k( 38) = ( 0.0142857 0.5000000 0.0000000), wk = 0.0031949 k( 39) = ( 0.0285714 0.5000000 0.0000000), wk = 0.0031949 k( 40) = ( 0.0428571 0.5000000 0.0000000), wk = 0.0031949 k( 41) = ( 0.0571429 0.5000000 -0.0000000), wk = 0.0031949 k( 42) = ( 0.0714286 0.5000000 -0.0000000), wk = 0.0031949 k( 43) = ( 0.0857143 0.5000000 0.0000000), wk = 0.0031949 k( 44) = ( 0.1000000 0.5000000 0.0000000), wk = 0.0031949 k( 45) = ( 0.1142857 0.5000000 0.0000000), wk = 0.0031949 k( 46) = ( 0.1285714 0.5000000 -0.0000000), wk = 0.0031949 k( 47) = ( 0.1428571 0.5000000 0.0000000), wk = 0.0031949 k( 48) = ( 0.1571429 0.5000000 0.0000000), wk = 0.0031949 k( 49) = ( 0.1714286 0.5000000 0.0000000), wk = 0.0031949 k( 50) = ( 0.1857143 0.5000000 -0.0000000), wk = 0.0031949 k( 51) = ( 0.2000000 0.5000000 0.0000000), wk = 0.0031949 k( 52) = ( 0.2142857 0.5000000 0.0000000), wk = 0.0031949 k( 53) = ( 0.2285714 0.5000000 0.0000000), wk = 0.0031949 k( 54) = ( 0.2428571 0.5000000 0.0000000), wk = 0.0031949 k( 55) = ( 0.2571429 0.5000000 0.0000000), wk = 0.0031949 k( 56) = ( 0.2714286 0.5000000 0.0000000), wk = 0.0031949 k( 57) = ( 0.2857143 0.5000000 -0.0000000), wk = 0.0031949 k( 58) = ( 0.3000000 0.5000000 -0.0000000), wk = 0.0031949 k( 59) = ( 0.3142857 0.5000000 0.0000000), wk = 0.0031949 k( 60) = ( 0.3285714 0.5000000 0.0000000), wk = 0.0031949 k( 61) = ( 0.3428571 0.5000000 -0.0000000), wk = 0.0031949 k( 62) = ( 0.3571429 0.5000000 0.0000000), wk = 0.0031949 k( 63) = ( 0.3714286 0.5000000 -0.0000000), wk = 0.0031949 k( 64) = ( 0.3857143 0.5000000 -0.0000000), wk = 0.0031949 k( 65) = ( 0.4000000 0.5000000 -0.0000000), wk = 0.0031949 k( 66) = ( 0.4142857 0.5000000 -0.0000000), wk = 0.0031949 k( 67) = ( 0.4285714 0.5000000 0.0000000), wk = 0.0031949 k( 68) = ( 0.4428571 0.5000000 0.0000000), wk = 0.0031949 k( 69) = ( 0.4571429 0.5000000 0.0000000), wk = 0.0031949 k( 70) = ( 0.4714286 0.5000000 0.0000000), wk = 0.0031949 k( 71) = ( 0.4857143 0.5000000 0.0000000), wk = 0.0031949 k( 72) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031949 k( 73) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031949 k( 74) = ( 0.4897959 0.4897959 0.0000000), wk = 0.0031949 k( 75) = ( 0.4795918 0.4795918 0.0000000), wk = 0.0031949 k( 76) = ( 0.4693878 0.4693878 0.0000000), wk = 0.0031949 k( 77) = ( 0.4591837 0.4591837 -0.0000000), wk = 0.0031949 k( 78) = ( 0.4489796 0.4489796 -0.0000000), wk = 0.0031949 k( 79) = ( 0.4387755 0.4387755 -0.0000000), wk = 0.0031949 k( 80) = ( 0.4285714 0.4285714 -0.0000000), wk = 0.0031949 k( 81) = ( 0.4183674 0.4183674 -0.0000000), wk = 0.0031949 k( 82) = ( 0.4081633 0.4081633 -0.0000000), wk = 0.0031949 k( 83) = ( 0.3979592 0.3979592 -0.0000000), wk = 0.0031949 k( 84) = ( 0.3877551 0.3877551 -0.0000000), wk = 0.0031949 k( 85) = ( 0.3775510 0.3775510 -0.0000000), wk = 0.0031949 k( 86) = ( 0.3673469 0.3673469 -0.0000000), wk = 0.0031949 k( 87) = ( 0.3571429 0.3571429 -0.0000000), wk = 0.0031949 k( 88) = ( 0.3469388 0.3469388 -0.0000000), wk = 0.0031949 k( 89) = ( 0.3367347 0.3367347 -0.0000000), wk = 0.0031949 k( 90) = ( 0.3265306 0.3265306 -0.0000000), wk = 0.0031949 k( 91) = ( 0.3163265 0.3163265 -0.0000000), wk = 0.0031949 k( 92) = ( 0.3061224 0.3061224 -0.0000000), wk = 0.0031949 k( 93) = ( 0.2959184 0.2959184 -0.0000000), wk = 0.0031949 k( 94) = ( 0.2857143 0.2857143 -0.0000000), wk = 0.0031949 k( 95) = ( 0.2755102 0.2755102 0.0000000), wk = 0.0031949 k( 96) = ( 0.2653061 0.2653061 0.0000000), wk = 0.0031949 k( 97) = ( 0.2551020 0.2551020 0.0000000), wk = 0.0031949 k( 98) = ( 0.2448980 0.2448980 0.0000000), wk = 0.0031949 k( 99) = ( 0.2346939 0.2346939 0.0000000), wk = 0.0031949 k( 100) = ( 0.2244898 0.2244898 0.0000000), wk = 0.0031949 k( 101) = ( 0.2142857 0.2142857 -0.0000000), wk = 0.0031949 k( 102) = ( 0.2040816 0.2040816 -0.0000000), wk = 0.0031949 k( 103) = ( 0.1938776 0.1938776 -0.0000000), wk = 0.0031949 k( 104) = ( 0.1836735 0.1836735 -0.0000000), wk = 0.0031949 k( 105) = ( 0.1734694 0.1734694 -0.0000000), wk = 0.0031949 k( 106) = ( 0.1632653 0.1632653 -0.0000000), wk = 0.0031949 k( 107) = ( 0.1530612 0.1530612 -0.0000000), wk = 0.0031949 k( 108) = ( 0.1428571 0.1428571 0.0000000), wk = 0.0031949 k( 109) = ( 0.1326531 0.1326531 0.0000000), wk = 0.0031949 k( 110) = ( 0.1224490 0.1224490 0.0000000), wk = 0.0031949 k( 111) = ( 0.1122449 0.1122449 0.0000000), wk = 0.0031949 k( 112) = ( 0.1020408 0.1020408 0.0000000), wk = 0.0031949 k( 113) = ( 0.0918367 0.0918367 -0.0000000), wk = 0.0031949 k( 114) = ( 0.0816327 0.0816327 0.0000000), wk = 0.0031949 k( 115) = ( 0.0714286 0.0714286 0.0000000), wk = 0.0031949 k( 116) = ( 0.0612245 0.0612245 0.0000000), wk = 0.0031949 k( 117) = ( 0.0510204 0.0510204 0.0000000), wk = 0.0031949 k( 118) = ( 0.0408163 0.0408163 0.0000000), wk = 0.0031949 k( 119) = ( 0.0306122 0.0306122 0.0000000), wk = 0.0031949 k( 120) = ( 0.0204082 0.0204082 -0.0000000), wk = 0.0031949 k( 121) = ( 0.0102041 0.0102041 -0.0000000), wk = 0.0031949 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0031949 k( 124) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0031949 k( 125) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0031949 k( 126) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0031949 k( 127) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0031949 k( 128) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0031949 k( 129) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0031949 k( 130) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0031949 k( 131) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0031949 k( 132) = ( 0.0000000 0.0000000 0.2045455), wk = 0.0031949 k( 133) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0031949 k( 134) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0031949 k( 135) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0031949 k( 136) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0031949 k( 137) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0031949 k( 138) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0031949 k( 139) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0031949 k( 140) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0031949 k( 141) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0031949 k( 142) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0031949 k( 143) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0031949 k( 144) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0031949 k( 145) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031949 k( 146) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031949 k( 147) = ( 0.0000000 0.0142857 0.5000000), wk = 0.0031949 k( 148) = ( 0.0000000 0.0285714 0.5000000), wk = 0.0031949 k( 149) = ( 0.0000000 0.0428571 0.5000000), wk = 0.0031949 k( 150) = ( 0.0000000 0.0571429 0.5000000), wk = 0.0031949 k( 151) = ( 0.0000000 0.0714286 0.5000000), wk = 0.0031949 k( 152) = ( 0.0000000 0.0857143 0.5000000), wk = 0.0031949 k( 153) = ( 0.0000000 0.1000000 0.5000000), wk = 0.0031949 k( 154) = ( 0.0000000 0.1142857 0.5000000), wk = 0.0031949 k( 155) = ( 0.0000000 0.1285714 0.5000000), wk = 0.0031949 k( 156) = ( 0.0000000 0.1428571 0.5000000), wk = 0.0031949 k( 157) = ( 0.0000000 0.1571429 0.5000000), wk = 0.0031949 k( 158) = ( 0.0000000 0.1714286 0.5000000), wk = 0.0031949 k( 159) = ( 0.0000000 0.1857143 0.5000000), wk = 0.0031949 k( 160) = ( 0.0000000 0.2000000 0.5000000), wk = 0.0031949 k( 161) = ( 0.0000000 0.2142857 0.5000000), wk = 0.0031949 k( 162) = ( 0.0000000 0.2285714 0.5000000), wk = 0.0031949 k( 163) = ( 0.0000000 0.2428571 0.5000000), wk = 0.0031949 k( 164) = ( 0.0000000 0.2571429 0.5000000), wk = 0.0031949 k( 165) = ( 0.0000000 0.2714286 0.5000000), wk = 0.0031949 k( 166) = ( 0.0000000 0.2857143 0.5000000), wk = 0.0031949 k( 167) = ( 0.0000000 0.3000000 0.5000000), wk = 0.0031949 k( 168) = ( 0.0000000 0.3142857 0.5000000), wk = 0.0031949 k( 169) = ( 0.0000000 0.3285714 0.5000000), wk = 0.0031949 k( 170) = ( 0.0000000 0.3428571 0.5000000), wk = 0.0031949 k( 171) = ( 0.0000000 0.3571429 0.5000000), wk = 0.0031949 k( 172) = ( 0.0000000 0.3714286 0.5000000), wk = 0.0031949 k( 173) = ( 0.0000000 0.3857143 0.5000000), wk = 0.0031949 k( 174) = ( 0.0000000 0.4000000 0.5000000), wk = 0.0031949 k( 175) = ( 0.0000000 0.4142857 0.5000000), wk = 0.0031949 k( 176) = ( 0.0000000 0.4285714 0.5000000), wk = 0.0031949 k( 177) = ( 0.0000000 0.4428571 0.5000000), wk = 0.0031949 k( 178) = ( 0.0000000 0.4571429 0.5000000), wk = 0.0031949 k( 179) = ( 0.0000000 0.4714286 0.5000000), wk = 0.0031949 k( 180) = ( 0.0000000 0.4857143 0.5000000), wk = 0.0031949 k( 181) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031949 k( 182) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031949 k( 183) = ( 0.0142857 0.5000000 0.5000000), wk = 0.0031949 k( 184) = ( 0.0285714 0.5000000 0.5000000), wk = 0.0031949 k( 185) = ( 0.0428571 0.5000000 0.5000000), wk = 0.0031949 k( 186) = ( 0.0571429 0.5000000 0.5000000), wk = 0.0031949 k( 187) = ( 0.0714286 0.5000000 0.5000000), wk = 0.0031949 k( 188) = ( 0.0857143 0.5000000 0.5000000), wk = 0.0031949 k( 189) = ( 0.1000000 0.5000000 0.5000000), wk = 0.0031949 k( 190) = ( 0.1142857 0.5000000 0.5000000), wk = 0.0031949 k( 191) = ( 0.1285714 0.5000000 0.5000000), wk = 0.0031949 k( 192) = ( 0.1428571 0.5000000 0.5000000), wk = 0.0031949 k( 193) = ( 0.1571429 0.5000000 0.5000000), wk = 0.0031949 k( 194) = ( 0.1714286 0.5000000 0.5000000), wk = 0.0031949 k( 195) = ( 0.1857143 0.5000000 0.5000000), wk = 0.0031949 k( 196) = ( 0.2000000 0.5000000 0.5000000), wk = 0.0031949 k( 197) = ( 0.2142857 0.5000000 0.5000000), wk = 0.0031949 k( 198) = ( 0.2285714 0.5000000 0.5000000), wk = 0.0031949 k( 199) = ( 0.2428571 0.5000000 0.5000000), wk = 0.0031949 k( 200) = ( 0.2571429 0.5000000 0.5000000), wk = 0.0031949 k( 201) = ( 0.2714286 0.5000000 0.5000000), wk = 0.0031949 k( 202) = ( 0.2857143 0.5000000 0.5000000), wk = 0.0031949 k( 203) = ( 0.3000000 0.5000000 0.5000000), wk = 0.0031949 k( 204) = ( 0.3142857 0.5000000 0.5000000), wk = 0.0031949 k( 205) = ( 0.3285714 0.5000000 0.5000000), wk = 0.0031949 k( 206) = ( 0.3428571 0.5000000 0.5000000), wk = 0.0031949 k( 207) = ( 0.3571429 0.5000000 0.5000000), wk = 0.0031949 k( 208) = ( 0.3714286 0.5000000 0.5000000), wk = 0.0031949 k( 209) = ( 0.3857143 0.5000000 0.5000000), wk = 0.0031949 k( 210) = ( 0.4000000 0.5000000 0.5000000), wk = 0.0031949 k( 211) = ( 0.4142857 0.5000000 0.5000000), wk = 0.0031949 k( 212) = ( 0.4285714 0.5000000 0.5000000), wk = 0.0031949 k( 213) = ( 0.4428571 0.5000000 0.5000000), wk = 0.0031949 k( 214) = ( 0.4571429 0.5000000 0.5000000), wk = 0.0031949 k( 215) = ( 0.4714286 0.5000000 0.5000000), wk = 0.0031949 k( 216) = ( 0.4857143 0.5000000 0.5000000), wk = 0.0031949 k( 217) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 218) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 k( 219) = ( 0.4897959 0.4897959 0.5000000), wk = 0.0031949 k( 220) = ( 0.4795918 0.4795918 0.5000000), wk = 0.0031949 k( 221) = ( 0.4693878 0.4693878 0.5000000), wk = 0.0031949 k( 222) = ( 0.4591837 0.4591837 0.5000000), wk = 0.0031949 k( 223) = ( 0.4489796 0.4489796 0.5000000), wk = 0.0031949 k( 224) = ( 0.4387755 0.4387755 0.5000000), wk = 0.0031949 k( 225) = ( 0.4285714 0.4285714 0.5000000), wk = 0.0031949 k( 226) = ( 0.4183674 0.4183674 0.5000000), wk = 0.0031949 k( 227) = ( 0.4081633 0.4081633 0.5000000), wk = 0.0031949 k( 228) = ( 0.3979592 0.3979592 0.5000000), wk = 0.0031949 k( 229) = ( 0.3877551 0.3877551 0.5000000), wk = 0.0031949 k( 230) = ( 0.3775510 0.3775510 0.5000000), wk = 0.0031949 k( 231) = ( 0.3673469 0.3673469 0.5000000), wk = 0.0031949 k( 232) = ( 0.3571429 0.3571429 0.5000000), wk = 0.0031949 k( 233) = ( 0.3469388 0.3469388 0.5000000), wk = 0.0031949 k( 234) = ( 0.3367347 0.3367347 0.5000000), wk = 0.0031949 k( 235) = ( 0.3265306 0.3265306 0.5000000), wk = 0.0031949 k( 236) = ( 0.3163265 0.3163265 0.5000000), wk = 0.0031949 k( 237) = ( 0.3061224 0.3061224 0.5000000), wk = 0.0031949 k( 238) = ( 0.2959184 0.2959184 0.5000000), wk = 0.0031949 k( 239) = ( 0.2857143 0.2857143 0.5000000), wk = 0.0031949 k( 240) = ( 0.2755102 0.2755102 0.5000000), wk = 0.0031949 k( 241) = ( 0.2653061 0.2653061 0.5000000), wk = 0.0031949 k( 242) = ( 0.2551020 0.2551020 0.5000000), wk = 0.0031949 k( 243) = ( 0.2448980 0.2448980 0.5000000), wk = 0.0031949 k( 244) = ( 0.2346939 0.2346939 0.5000000), wk = 0.0031949 k( 245) = ( 0.2244898 0.2244898 0.5000000), wk = 0.0031949 k( 246) = ( 0.2142857 0.2142857 0.5000000), wk = 0.0031949 k( 247) = ( 0.2040816 0.2040816 0.5000000), wk = 0.0031949 k( 248) = ( 0.1938776 0.1938776 0.5000000), wk = 0.0031949 k( 249) = ( 0.1836735 0.1836735 0.5000000), wk = 0.0031949 k( 250) = ( 0.1734694 0.1734694 0.5000000), wk = 0.0031949 k( 251) = ( 0.1632653 0.1632653 0.5000000), wk = 0.0031949 k( 252) = ( 0.1530612 0.1530612 0.5000000), wk = 0.0031949 k( 253) = ( 0.1428571 0.1428571 0.5000000), wk = 0.0031949 k( 254) = ( 0.1326531 0.1326531 0.5000000), wk = 0.0031949 k( 255) = ( 0.1224490 0.1224490 0.5000000), wk = 0.0031949 k( 256) = ( 0.1122449 0.1122449 0.5000000), wk = 0.0031949 k( 257) = ( 0.1020408 0.1020408 0.5000000), wk = 0.0031949 k( 258) = ( 0.0918367 0.0918367 0.5000000), wk = 0.0031949 k( 259) = ( 0.0816327 0.0816327 0.5000000), wk = 0.0031949 k( 260) = ( 0.0714286 0.0714286 0.5000000), wk = 0.0031949 k( 261) = ( 0.0612245 0.0612245 0.5000000), wk = 0.0031949 k( 262) = ( 0.0510204 0.0510204 0.5000000), wk = 0.0031949 k( 263) = ( 0.0408163 0.0408163 0.5000000), wk = 0.0031949 k( 264) = ( 0.0306122 0.0306122 0.5000000), wk = 0.0031949 k( 265) = ( 0.0204082 0.0204082 0.5000000), wk = 0.0031949 k( 266) = ( 0.0102041 0.0102041 0.5000000), wk = 0.0031949 k( 267) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0031949 k( 268) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0031949 k( 269) = ( 0.0000000 0.5000000 0.0227273), wk = 0.0031949 k( 270) = ( 0.0000000 0.5000000 0.0454546), wk = 0.0031949 k( 271) = ( 0.0000000 0.5000000 0.0681818), wk = 0.0031949 k( 272) = ( 0.0000000 0.5000000 0.0909091), wk = 0.0031949 k( 273) = ( 0.0000000 0.5000000 0.1136364), wk = 0.0031949 k( 274) = ( 0.0000000 0.5000000 0.1363636), wk = 0.0031949 k( 275) = ( 0.0000000 0.5000000 0.1590909), wk = 0.0031949 k( 276) = ( 0.0000000 0.5000000 0.1818182), wk = 0.0031949 k( 277) = ( 0.0000000 0.5000000 0.2045454), wk = 0.0031949 k( 278) = ( 0.0000000 0.5000000 0.2272727), wk = 0.0031949 k( 279) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0031949 k( 280) = ( 0.0000000 0.5000000 0.2727273), wk = 0.0031949 k( 281) = ( 0.0000000 0.5000000 0.2954546), wk = 0.0031949 k( 282) = ( 0.0000000 0.5000000 0.3181818), wk = 0.0031949 k( 283) = ( 0.0000000 0.5000000 0.3409091), wk = 0.0031949 k( 284) = ( 0.0000000 0.5000000 0.3636364), wk = 0.0031949 k( 285) = ( 0.0000000 0.5000000 0.3863636), wk = 0.0031949 k( 286) = ( 0.0000000 0.5000000 0.4090909), wk = 0.0031949 k( 287) = ( 0.0000000 0.5000000 0.4318182), wk = 0.0031949 k( 288) = ( 0.0000000 0.5000000 0.4545455), wk = 0.0031949 k( 289) = ( 0.0000000 0.5000000 0.4772727), wk = 0.0031949 k( 290) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0031949 k( 291) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0031949 k( 292) = ( 0.5000000 0.5000000 0.0227273), wk = 0.0031949 k( 293) = ( 0.5000000 0.5000000 0.0454546), wk = 0.0031949 k( 294) = ( 0.5000000 0.5000000 0.0681818), wk = 0.0031949 k( 295) = ( 0.5000000 0.5000000 0.0909091), wk = 0.0031949 k( 296) = ( 0.5000000 0.5000000 0.1136364), wk = 0.0031949 k( 297) = ( 0.5000000 0.5000000 0.1363636), wk = 0.0031949 k( 298) = ( 0.5000000 0.5000000 0.1590909), wk = 0.0031949 k( 299) = ( 0.5000000 0.5000000 0.1818182), wk = 0.0031949 k( 300) = ( 0.5000000 0.5000000 0.2045454), wk = 0.0031949 k( 301) = ( 0.5000000 0.5000000 0.2272727), wk = 0.0031949 k( 302) = ( 0.5000000 0.5000000 0.2500000), wk = 0.0031949 k( 303) = ( 0.5000000 0.5000000 0.2727273), wk = 0.0031949 k( 304) = ( 0.5000000 0.5000000 0.2954546), wk = 0.0031949 k( 305) = ( 0.5000000 0.5000000 0.3181818), wk = 0.0031949 k( 306) = ( 0.5000000 0.5000000 0.3409091), wk = 0.0031949 k( 307) = ( 0.5000000 0.5000000 0.3636364), wk = 0.0031949 k( 308) = ( 0.5000000 0.5000000 0.3863636), wk = 0.0031949 k( 309) = ( 0.5000000 0.5000000 0.4090909), wk = 0.0031949 k( 310) = ( 0.5000000 0.5000000 0.4318182), wk = 0.0031949 k( 311) = ( 0.5000000 0.5000000 0.4545455), wk = 0.0031949 k( 312) = ( 0.5000000 0.5000000 0.4772727), wk = 0.0031949 k( 313) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0031949 Dense grid: 67149 G-vectors FFT dimensions: ( 45, 45, 72) Smooth grid: 49847 G-vectors FFT dimensions: ( 40, 40, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 378, 44) NL pseudopotentials 0.29 Mb ( 189, 102) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1866) G-vector shells 0.01 Mb ( 864) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.02 Mb ( 378, 176) Each subspace H/S matrix 0.03 Mb ( 44, 44) Each matrix 0.14 Mb ( 102, 2, 44) The potential is recalculated from file : ./BaHBr.save/charge-density.dat Starting wfc are 40 randomized atomic wfcs + 4 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.1 secs Computing kpt #: 2 total cpu time spent up to now is 2.4 secs Computing kpt #: 3 total cpu time spent up to now is 2.8 secs Computing kpt #: 4 total cpu time spent up to now is 3.2 secs Computing kpt #: 5 total cpu time spent up to now is 3.5 secs Computing kpt #: 6 total cpu time spent up to now is 3.9 secs Computing kpt #: 7 total cpu time spent up to now is 4.3 secs Computing kpt #: 8 total cpu time spent up to now is 4.6 secs Computing kpt #: 9 total cpu time spent up to now is 5.0 secs Computing kpt #: 10 total cpu time spent up to now is 5.4 secs Computing kpt #: 11 total cpu time spent up to now is 5.7 secs Computing kpt #: 12 total cpu time spent up to now is 6.1 secs Computing kpt #: 13 total cpu time spent up to now is 6.5 secs Computing kpt #: 14 total cpu time spent up to now is 6.9 secs Computing kpt #: 15 total cpu time spent up to now is 7.3 secs Computing kpt #: 16 total cpu time spent up to now is 7.6 secs Computing kpt #: 17 total cpu time spent up to now is 8.0 secs Computing kpt #: 18 total cpu time spent up to now is 8.4 secs Computing kpt #: 19 total cpu time spent up to now is 8.8 secs Computing kpt #: 20 total cpu time spent up to now is 9.2 secs Computing kpt #: 21 total cpu time spent up to now is 9.5 secs Computing kpt #: 22 total cpu time spent up to now is 9.9 secs Computing kpt #: 23 total cpu time spent up to now is 10.3 secs Computing kpt #: 24 total cpu time spent up to now is 10.7 secs Computing kpt #: 25 total cpu time spent up to now is 11.1 secs Computing kpt #: 26 total cpu time spent up to now is 11.5 secs Computing kpt #: 27 total cpu time spent up to now is 11.9 secs Computing kpt #: 28 total cpu time spent up to now is 12.3 secs Computing kpt #: 29 total cpu time spent up to now is 12.7 secs Computing kpt #: 30 total cpu time spent up to now is 13.1 secs Computing kpt #: 31 total cpu time spent up to now is 13.5 secs Computing kpt #: 32 total cpu time spent up to now is 13.9 secs Computing kpt #: 33 total cpu time spent up to now is 14.3 secs Computing kpt #: 34 total cpu time spent up to now is 14.7 secs Computing kpt #: 35 total cpu time spent up to now is 15.1 secs Computing kpt #: 36 total cpu time spent up to now is 15.5 secs Computing kpt #: 37 total cpu time spent up to now is 15.9 secs Computing kpt #: 38 total cpu time spent up to now is 16.3 secs Computing kpt #: 39 total cpu time spent up to now is 16.6 secs Computing kpt #: 40 total cpu time spent up to now is 17.0 secs Computing kpt #: 41 total cpu time spent up to now is 17.4 secs Computing kpt #: 42 total cpu time spent up to now is 17.8 secs Computing kpt #: 43 total cpu time spent up to now is 18.2 secs Computing kpt #: 44 total cpu time spent up to now is 18.6 secs Computing kpt #: 45 total cpu time spent up to now is 18.9 secs Computing kpt #: 46 total cpu time spent up to now is 19.3 secs Computing kpt #: 47 total cpu time spent up to now is 19.7 secs Computing kpt #: 48 total cpu time spent up to now is 20.0 secs Computing kpt #: 49 total cpu time spent up to now is 20.4 secs Computing kpt #: 50 total cpu time spent up to now is 20.8 secs Computing kpt #: 51 total cpu time spent up to now is 21.1 secs Computing kpt #: 52 total cpu time spent up to now is 21.5 secs Computing kpt #: 53 total cpu time spent up to now is 21.9 secs Computing kpt #: 54 total cpu time spent up to now is 22.2 secs Computing kpt #: 55 total cpu time spent up to now is 22.6 secs Computing kpt #: 56 total cpu time spent up to now is 23.0 secs Computing kpt #: 57 total cpu time spent up to now is 23.3 secs Computing kpt #: 58 total cpu time spent up to now is 23.7 secs Computing kpt #: 59 total cpu time spent up to now is 24.1 secs Computing kpt #: 60 total cpu time spent up to now is 24.4 secs Computing kpt #: 61 total cpu time spent up to now is 24.8 secs Computing kpt #: 62 total cpu time spent up to now is 25.2 secs Computing kpt #: 63 total cpu time spent up to now is 25.6 secs Computing kpt #: 64 total cpu time spent up to now is 26.1 secs Computing kpt #: 65 total cpu time spent up to now is 26.5 secs Computing kpt #: 66 total cpu time spent up to now is 27.0 secs Computing kpt #: 67 total cpu time spent up to now is 27.4 secs Computing kpt #: 68 total cpu time spent up to now is 27.9 secs Computing kpt #: 69 total cpu time spent up to now is 28.3 secs Computing kpt #: 70 total cpu time spent up to now is 28.8 secs Computing kpt #: 71 total cpu time spent up to now is 29.3 secs Computing kpt #: 72 total cpu time spent up to now is 29.8 secs Computing kpt #: 73 total cpu time spent up to now is 30.2 secs Computing kpt #: 74 total cpu time spent up to now is 30.7 secs Computing kpt #: 75 total cpu time spent up to now is 31.2 secs Computing kpt #: 76 total cpu time spent up to now is 31.7 secs Computing kpt #: 77 total cpu time spent up to now is 32.2 secs Computing kpt #: 78 total cpu time spent up to now is 32.7 secs Computing kpt #: 79 total cpu time spent up to now is 33.2 secs Computing kpt #: 80 total cpu time spent up to now is 33.7 secs Computing kpt #: 81 total cpu time spent up to now is 34.2 secs Computing kpt #: 82 total cpu time spent up to now is 34.6 secs Computing kpt #: 83 total cpu time spent up to now is 35.1 secs Computing kpt #: 84 total cpu time spent up to now is 35.5 secs Computing kpt #: 85 total cpu time spent up to now is 35.9 secs Computing kpt #: 86 total cpu time spent up to now is 36.3 secs Computing kpt #: 87 total cpu time spent up to now is 36.6 secs Computing kpt #: 88 total cpu time spent up to now is 37.0 secs Computing kpt #: 89 total cpu time spent up to now is 37.3 secs Computing kpt #: 90 total cpu time spent up to now is 37.7 secs Computing kpt #: 91 total cpu time spent up to now is 38.0 secs Computing kpt #: 92 total cpu time spent up to now is 38.4 secs Computing kpt #: 93 total cpu time spent up to now is 38.7 secs Computing kpt #: 94 total cpu time spent up to now is 39.0 secs Computing kpt #: 95 total cpu time spent up to now is 39.4 secs Computing kpt #: 96 total cpu time spent up to now is 39.7 secs Computing kpt #: 97 total cpu time spent up to now is 40.0 secs Computing kpt #: 98 total cpu time spent up to now is 40.4 secs Computing kpt #: 99 total cpu time spent up to now is 40.7 secs Computing kpt #: 100 total cpu time spent up to now is 41.1 secs Computing kpt #: 101 total cpu time spent up to now is 41.4 secs Computing kpt #: 102 total cpu time spent up to now is 41.8 secs Computing kpt #: 103 total cpu time spent up to now is 42.1 secs Computing kpt #: 104 total cpu time spent up to now is 42.5 secs Computing kpt #: 105 total cpu time spent up to now is 42.8 secs Computing kpt #: 106 total cpu time spent up to now is 43.2 secs Computing kpt #: 107 total cpu time spent up to now is 43.6 secs Computing kpt #: 108 total cpu time spent up to now is 44.0 secs Computing kpt #: 109 total cpu time spent up to now is 44.4 secs Computing kpt #: 110 total cpu time spent up to now is 44.7 secs Computing kpt #: 111 total cpu time spent up to now is 45.1 secs Computing kpt #: 112 total cpu time spent up to now is 45.5 secs Computing kpt #: 113 total cpu time spent up to now is 45.9 secs Computing kpt #: 114 total cpu time spent up to now is 46.3 secs Computing kpt #: 115 total cpu time spent up to now is 46.7 secs Computing kpt #: 116 total cpu time spent up to now is 47.1 secs Computing kpt #: 117 total cpu time spent up to now is 47.4 secs Computing kpt #: 118 total cpu time spent up to now is 47.8 secs Computing kpt #: 119 total cpu time spent up to now is 48.2 secs Computing kpt #: 120 total cpu time spent up to now is 48.5 secs Computing kpt #: 121 total cpu time spent up to now is 48.9 secs Computing kpt #: 122 total cpu time spent up to now is 49.3 secs Computing kpt #: 123 total cpu time spent up to now is 49.7 secs Computing kpt #: 124 total cpu time spent up to now is 50.1 secs Computing kpt #: 125 total cpu time spent up to now is 50.4 secs Computing kpt #: 126 total cpu time spent up to now is 50.8 secs Computing kpt #: 127 total cpu time spent up to now is 51.2 secs Computing kpt #: 128 total cpu time spent up to now is 51.5 secs Computing kpt #: 129 total cpu time spent up to now is 51.9 secs Computing kpt #: 130 total cpu time spent up to now is 52.3 secs Computing kpt #: 131 total cpu time spent up to now is 52.6 secs Computing kpt #: 132 total cpu time spent up to now is 53.0 secs Computing kpt #: 133 total cpu time spent up to now is 53.4 secs Computing kpt #: 134 total cpu time spent up to now is 53.7 secs Computing kpt #: 135 total cpu time spent up to now is 54.1 secs Computing kpt #: 136 total cpu time spent up to now is 54.4 secs Computing kpt #: 137 total cpu time spent up to now is 54.8 secs Computing kpt #: 138 total cpu time spent up to now is 55.1 secs Computing kpt #: 139 total cpu time spent up to now is 55.5 secs Computing kpt #: 140 total cpu time spent up to now is 55.9 secs Computing kpt #: 141 total cpu time spent up to now is 56.2 secs Computing kpt #: 142 total cpu time spent up to now is 56.6 secs Computing kpt #: 143 total cpu time spent up to now is 56.9 secs Computing kpt #: 144 total cpu time spent up to now is 57.3 secs Computing kpt #: 145 total cpu time spent up to now is 57.6 secs Computing kpt #: 146 total cpu time spent up to now is 57.9 secs Computing kpt #: 147 total cpu time spent up to now is 58.3 secs Computing kpt #: 148 total cpu time spent up to now is 58.7 secs Computing kpt #: 149 total cpu time spent up to now is 59.0 secs Computing kpt #: 150 total cpu time spent up to now is 59.4 secs Computing kpt #: 151 total cpu time spent up to now is 59.7 secs Computing kpt #: 152 total cpu time spent up to now is 60.1 secs Computing kpt #: 153 total cpu time spent up to now is 60.5 secs Computing kpt #: 154 total cpu time spent up to now is 60.9 secs Computing kpt #: 155 total cpu time spent up to now is 61.3 secs Computing kpt #: 156 total cpu time spent up to now is 61.6 secs Computing kpt #: 157 total cpu time spent up to now is 62.0 secs Computing kpt #: 158 total cpu time spent up to now is 62.4 secs Computing kpt #: 159 total cpu time spent up to now is 62.8 secs Computing kpt #: 160 total cpu time spent up to now is 63.2 secs Computing kpt #: 161 total cpu time spent up to now is 63.5 secs Computing kpt #: 162 total cpu time spent up to now is 63.9 secs Computing kpt #: 163 total cpu time spent up to now is 64.3 secs Computing kpt #: 164 total cpu time spent up to now is 64.7 secs Computing kpt #: 165 total cpu time spent up to now is 65.1 secs Computing kpt #: 166 total cpu time spent up to now is 65.6 secs Computing kpt #: 167 total cpu time spent up to now is 66.0 secs Computing kpt #: 168 total cpu time spent up to now is 66.4 secs Computing kpt #: 169 total cpu time spent up to now is 66.8 secs Computing kpt #: 170 total cpu time spent up to now is 67.2 secs Computing kpt #: 171 total cpu time spent up to now is 67.6 secs Computing kpt #: 172 total cpu time spent up to now is 68.0 secs Computing kpt #: 173 total cpu time spent up to now is 68.4 secs Computing kpt #: 174 total cpu time spent up to now is 68.9 secs Computing kpt #: 175 total cpu time spent up to now is 69.3 secs Computing kpt #: 176 total cpu time spent up to now is 69.8 secs Computing kpt #: 177 total cpu time spent up to now is 70.2 secs Computing kpt #: 178 total cpu time spent up to now is 70.8 secs Computing kpt #: 179 total cpu time spent up to now is 71.2 secs Computing kpt #: 180 total cpu time spent up to now is 71.7 secs Computing kpt #: 181 total cpu time spent up to now is 72.1 secs Computing kpt #: 182 total cpu time spent up to now is 72.5 secs Computing kpt #: 183 total cpu time spent up to now is 72.9 secs Computing kpt #: 184 total cpu time spent up to now is 73.3 secs Computing kpt #: 185 total cpu time spent up to now is 73.7 secs Computing kpt #: 186 total cpu time spent up to now is 74.1 secs Computing kpt #: 187 total cpu time spent up to now is 74.4 secs Computing kpt #: 188 total cpu time spent up to now is 74.8 secs Computing kpt #: 189 total cpu time spent up to now is 75.2 secs Computing kpt #: 190 total cpu time spent up to now is 75.5 secs Computing kpt #: 191 total cpu time spent up to now is 75.9 secs Computing kpt #: 192 total cpu time spent up to now is 76.3 secs Computing kpt #: 193 total cpu time spent up to now is 76.6 secs Computing kpt #: 194 total cpu time spent up to now is 77.0 secs Computing kpt #: 195 total cpu time spent up to now is 77.4 secs Computing kpt #: 196 total cpu time spent up to now is 77.8 secs Computing kpt #: 197 total cpu time spent up to now is 78.2 secs Computing kpt #: 198 total cpu time spent up to now is 78.5 secs Computing kpt #: 199 total cpu time spent up to now is 78.9 secs Computing kpt #: 200 total cpu time spent up to now is 79.3 secs Computing kpt #: 201 total cpu time spent up to now is 79.7 secs Computing kpt #: 202 total cpu time spent up to now is 80.0 secs Computing kpt #: 203 total cpu time spent up to now is 80.4 secs Computing kpt #: 204 total cpu time spent up to now is 80.8 secs Computing kpt #: 205 total cpu time spent up to now is 81.2 secs Computing kpt #: 206 total cpu time spent up to now is 81.6 secs Computing kpt #: 207 total cpu time spent up to now is 82.0 secs Computing kpt #: 208 total cpu time spent up to now is 82.4 secs Computing kpt #: 209 total cpu time spent up to now is 82.9 secs Computing kpt #: 210 total cpu time spent up to now is 83.3 secs Computing kpt #: 211 total cpu time spent up to now is 83.8 secs Computing kpt #: 212 total cpu time spent up to now is 84.3 secs Computing kpt #: 213 total cpu time spent up to now is 84.7 secs Computing kpt #: 214 total cpu time spent up to now is 85.2 secs Computing kpt #: 215 total cpu time spent up to now is 85.7 secs Computing kpt #: 216 total cpu time spent up to now is 86.3 secs Computing kpt #: 217 total cpu time spent up to now is 86.9 secs Computing kpt #: 218 total cpu time spent up to now is 87.6 secs Computing kpt #: 219 total cpu time spent up to now is 88.4 secs Computing kpt #: 220 total cpu time spent up to now is 89.3 secs Computing kpt #: 221 total cpu time spent up to now is 89.9 secs Computing kpt #: 222 total cpu time spent up to now is 90.6 secs Computing kpt #: 223 total cpu time spent up to now is 91.2 secs Computing kpt #: 224 total cpu time spent up to now is 91.8 secs Computing kpt #: 225 total cpu time spent up to now is 92.3 secs Computing kpt #: 226 total cpu time spent up to now is 92.8 secs Computing kpt #: 227 total cpu time spent up to now is 93.3 secs Computing kpt #: 228 total cpu time spent up to now is 93.7 secs Computing kpt #: 229 total cpu time spent up to now is 94.2 secs Computing kpt #: 230 total cpu time spent up to now is 94.6 secs Computing kpt #: 231 total cpu time spent up to now is 95.1 secs Computing kpt #: 232 total cpu time spent up to now is 95.5 secs Computing kpt #: 233 total cpu time spent up to now is 96.0 secs Computing kpt #: 234 total cpu time spent up to now is 96.4 secs Computing kpt #: 235 total cpu time spent up to now is 96.9 secs Computing kpt #: 236 total cpu time spent up to now is 97.3 secs Computing kpt #: 237 total cpu time spent up to now is 97.8 secs Computing kpt #: 238 total cpu time spent up to now is 98.2 secs Computing kpt #: 239 total cpu time spent up to now is 98.6 secs Computing kpt #: 240 total cpu time spent up to now is 99.0 secs Computing kpt #: 241 total cpu time spent up to now is 99.4 secs Computing kpt #: 242 total cpu time spent up to now is 99.8 secs Computing kpt #: 243 total cpu time spent up to now is 100.2 secs Computing kpt #: 244 total cpu time spent up to now is 100.6 secs Computing kpt #: 245 total cpu time spent up to now is 101.0 secs Computing kpt #: 246 total cpu time spent up to now is 101.4 secs Computing kpt #: 247 total cpu time spent up to now is 101.8 secs Computing kpt #: 248 total cpu time spent up to now is 102.2 secs Computing kpt #: 249 total cpu time spent up to now is 102.6 secs Computing kpt #: 250 total cpu time spent up to now is 102.9 secs Computing kpt #: 251 total cpu time spent up to now is 103.3 secs Computing kpt #: 252 total cpu time spent up to now is 103.7 secs Computing kpt #: 253 total cpu time spent up to now is 104.1 secs Computing kpt #: 254 total cpu time spent up to now is 104.5 secs Computing kpt #: 255 total cpu time spent up to now is 104.8 secs Computing kpt #: 256 total cpu time spent up to now is 105.2 secs Computing kpt #: 257 total cpu time spent up to now is 105.6 secs Computing kpt #: 258 total cpu time spent up to now is 105.9 secs Computing kpt #: 259 total cpu time spent up to now is 106.3 secs Computing kpt #: 260 total cpu time spent up to now is 106.7 secs Computing kpt #: 261 total cpu time spent up to now is 107.0 secs Computing kpt #: 262 total cpu time spent up to now is 107.4 secs Computing kpt #: 263 total cpu time spent up to now is 107.7 secs Computing kpt #: 264 total cpu time spent up to now is 108.1 secs Computing kpt #: 265 total cpu time spent up to now is 108.4 secs Computing kpt #: 266 total cpu time spent up to now is 108.8 secs Computing kpt #: 267 total cpu time spent up to now is 109.1 secs Computing kpt #: 268 total cpu time spent up to now is 109.5 secs Computing kpt #: 269 total cpu time spent up to now is 109.9 secs Computing kpt #: 270 total cpu time spent up to now is 110.3 secs Computing kpt #: 271 total cpu time spent up to now is 110.7 secs Computing kpt #: 272 total cpu time spent up to now is 111.1 secs Computing kpt #: 273 total cpu time spent up to now is 111.5 secs Computing kpt #: 274 total cpu time spent up to now is 111.9 secs Computing kpt #: 275 total cpu time spent up to now is 112.3 secs Computing kpt #: 276 total cpu time spent up to now is 112.7 secs Computing kpt #: 277 total cpu time spent up to now is 113.1 secs Computing kpt #: 278 total cpu time spent up to now is 113.4 secs Computing kpt #: 279 total cpu time spent up to now is 113.8 secs Computing kpt #: 280 total cpu time spent up to now is 114.2 secs Computing kpt #: 281 total cpu time spent up to now is 114.6 secs Computing kpt #: 282 total cpu time spent up to now is 115.0 secs Computing kpt #: 283 total cpu time spent up to now is 115.4 secs Computing kpt #: 284 total cpu time spent up to now is 115.8 secs Computing kpt #: 285 total cpu time spent up to now is 116.2 secs Computing kpt #: 286 total cpu time spent up to now is 116.7 secs Computing kpt #: 287 total cpu time spent up to now is 117.1 secs Computing kpt #: 288 total cpu time spent up to now is 117.5 secs Computing kpt #: 289 total cpu time spent up to now is 118.0 secs Computing kpt #: 290 total cpu time spent up to now is 118.4 secs Computing kpt #: 291 total cpu time spent up to now is 118.8 secs Computing kpt #: 292 total cpu time spent up to now is 119.3 secs Computing kpt #: 293 total cpu time spent up to now is 119.8 secs Computing kpt #: 294 total cpu time spent up to now is 120.2 secs Computing kpt #: 295 total cpu time spent up to now is 120.7 secs Computing kpt #: 296 total cpu time spent up to now is 121.2 secs Computing kpt #: 297 total cpu time spent up to now is 121.7 secs Computing kpt #: 298 total cpu time spent up to now is 122.2 secs Computing kpt #: 299 total cpu time spent up to now is 122.7 secs Computing kpt #: 300 total cpu time spent up to now is 123.2 secs Computing kpt #: 301 total cpu time spent up to now is 123.7 secs Computing kpt #: 302 total cpu time spent up to now is 124.2 secs Computing kpt #: 303 total cpu time spent up to now is 124.7 secs Computing kpt #: 304 total cpu time spent up to now is 125.2 secs Computing kpt #: 305 total cpu time spent up to now is 125.7 secs Computing kpt #: 306 total cpu time spent up to now is 126.2 secs Computing kpt #: 307 total cpu time spent up to now is 126.7 secs Computing kpt #: 308 total cpu time spent up to now is 127.2 secs Computing kpt #: 309 total cpu time spent up to now is 127.9 secs Computing kpt #: 310 total cpu time spent up to now is 128.5 secs Computing kpt #: 311 total cpu time spent up to now is 129.1 secs Computing kpt #: 312 total cpu time spent up to now is 129.8 secs Computing kpt #: 313 total cpu time spent up to now is 130.5 secs ethr = 2.78E-08, avg # of iterations = 22.0 total cpu time spent up to now is 130.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6211 PWs) bands (ev): -21.1487 -21.1487 -21.0724 -21.0724 -8.8434 -8.8434 -8.6564 -8.6564 -7.8125 -7.8125 -7.5866 -7.5866 -5.9358 -5.9358 -5.7701 -5.7701 -5.5489 -5.5489 -5.5185 -5.5185 2.2644 2.2644 2.9934 2.9934 3.1240 3.1240 3.3314 3.3314 3.6062 3.6062 3.7316 3.7316 3.7727 3.7727 4.1548 4.1548 8.7618 8.7618 9.1353 9.1353 9.3655 9.3655 9.4734 9.4734 k = 0.0000 0.0143-0.0000 ( 6219 PWs) bands (ev): -21.1487 -21.1487 -21.0724 -21.0724 -8.8435 -8.8435 -8.6567 -8.6567 -7.8125 -7.8125 -7.5866 -7.5866 -5.9358 -5.9358 -5.7700 -5.7700 -5.5491 -5.5491 -5.5184 -5.5184 2.2652 2.2652 2.9915 2.9915 3.1229 3.1229 3.3308 3.3308 3.6047 3.6047 3.7330 3.7330 3.7669 3.7669 4.1625 4.1625 8.7645 8.7645 9.1350 9.1350 9.3610 9.3610 9.4682 9.4682 k = 0.0000 0.0286-0.0000 ( 6227 PWs) bands (ev): -21.1485 -21.1485 -21.0724 -21.0724 -8.8437 -8.8437 -8.6577 -8.6577 -7.8125 -7.8125 -7.5863 -7.5863 -5.9361 -5.9361 -5.7698 -5.7698 -5.5495 -5.5495 -5.5182 -5.5182 2.2675 2.2675 2.9856 2.9856 3.1196 3.1196 3.3292 3.3292 3.6003 3.6003 3.7369 3.7369 3.7516 3.7516 4.1841 4.1841 8.7725 8.7725 9.1342 9.1342 9.3475 9.3475 9.4539 9.4539 k = 0.0000 0.0429-0.0000 ( 6229 PWs) bands (ev): -21.1482 -21.1482 -21.0725 -21.0725 -8.8441 -8.8441 -8.6594 -8.6594 -7.8124 -7.8124 -7.5859 -7.5859 -5.9365 -5.9365 -5.7695 -5.7695 -5.5502 -5.5502 -5.5177 -5.5177 2.2715 2.2715 2.9761 2.9761 3.1142 3.1142 3.3259 3.3259 3.5923 3.5923 3.7298 3.7298 3.7449 3.7449 4.2159 4.2159 8.7857 8.7857 9.1326 9.1326 9.3257 9.3257 9.4328 9.4328 k = 0.0000 0.0571-0.0000 ( 6223 PWs) bands (ev): -21.1477 -21.1477 -21.0725 -21.0725 -8.8447 -8.8447 -8.6616 -8.6616 -7.8123 -7.8123 -7.5854 -7.5854 -5.9370 -5.9370 -5.7691 -5.7691 -5.5512 -5.5512 -5.5171 -5.5171 2.2770 2.2770 2.9630 2.9630 3.1068 3.1068 3.3206 3.3206 3.5802 3.5802 3.7083 3.7083 3.7545 3.7545 4.2544 4.2544 8.8039 8.8039 9.1298 9.1298 9.2969 9.2969 9.4077 9.4077 k = 0.0000 0.0714-0.0000 ( 6227 PWs) bands (ev): -21.1471 -21.1471 -21.0726 -21.0726 -8.8454 -8.8454 -8.6645 -8.6645 -7.8121 -7.8121 -7.5848 -7.5848 -5.9377 -5.9377 -5.7686 -5.7686 -5.5525 -5.5525 -5.5163 -5.5163 2.2839 2.2839 2.9467 2.9467 3.0971 3.0971 3.3126 3.3126 3.5641 3.5641 3.6889 3.6889 3.7669 3.7669 4.2967 4.2967 8.8268 8.8268 9.1248 9.1248 9.2640 9.2640 9.3804 9.3804 k = 0.0000 0.0857-0.0000 ( 6231 PWs) bands (ev): -21.1464 -21.1464 -21.0728 -21.0728 -8.8463 -8.8463 -8.6680 -8.6680 -7.8118 -7.8118 -7.5841 -7.5841 -5.9384 -5.9384 -5.7680 -5.7680 -5.5541 -5.5541 -5.5154 -5.5154 2.2923 2.2923 2.9276 2.9276 3.0848 3.0848 3.3017 3.3017 3.5451 3.5451 3.6731 3.6731 3.7819 3.7819 4.3410 4.3410 8.8540 8.8540 9.1158 9.1158 9.2316 9.2316 9.3521 9.3521 k = 0.0000 0.1000-0.0000 ( 6239 PWs) bands (ev): -21.1456 -21.1456 -21.0729 -21.0729 -8.8473 -8.8473 -8.6721 -8.6721 -7.8114 -7.8114 -7.5833 -7.5833 -5.9391 -5.9391 -5.7673 -5.7673 -5.5559 -5.5559 -5.5144 -5.5144 2.3020 2.3020 2.9061 2.9061 3.0697 3.0697 3.2879 3.2879 3.5247 3.5247 3.6607 3.6607 3.7992 3.7992 4.3859 4.3859 8.8850 8.8850 9.0999 9.0999 9.2048 9.2048 9.3232 9.3232 k = 0.0000 0.1143-0.0000 ( 6247 PWs) bands (ev): -21.1446 -21.1446 -21.0731 -21.0731 -8.8485 -8.8485 -8.6768 -8.6768 -7.8108 -7.8108 -7.5826 -7.5826 -5.9399 -5.9399 -5.7665 -5.7665 -5.5579 -5.5579 -5.5133 -5.5133 2.3129 2.3129 2.8826 2.8826 3.0511 3.0511 3.2719 3.2719 3.5046 3.5046 3.6509 3.6509 3.8186 3.8186 4.4305 4.4305 8.9191 8.9191 9.0761 9.0761 9.1868 9.1868 9.2942 9.2942 k = 0.0000 0.1286-0.0000 ( 6247 PWs) bands (ev): -21.1436 -21.1436 -21.0733 -21.0733 -8.8498 -8.8498 -8.6820 -8.6820 -7.8099 -7.8099 -7.5819 -7.5819 -5.9406 -5.9406 -5.7657 -5.7657 -5.5602 -5.5602 -5.5122 -5.5122 2.3250 2.3250 2.8577 2.8577 3.0286 3.0286 3.2550 3.2550 3.4855 3.4855 3.6427 3.6427 3.8398 3.8398 4.4741 4.4741 8.9554 8.9554 9.0475 9.0475 9.1765 9.1765 9.2658 9.2658 k = 0.0000 0.1429-0.0000 ( 6239 PWs) bands (ev): -21.1424 -21.1424 -21.0735 -21.0735 -8.8512 -8.8512 -8.6877 -8.6877 -7.8088 -7.8088 -7.5813 -7.5813 -5.9412 -5.9412 -5.7649 -5.7649 -5.5626 -5.5626 -5.5111 -5.5111 2.3379 2.3379 2.8317 2.8317 3.0020 3.0020 3.2384 3.2384 3.4672 3.4672 3.6358 3.6358 3.8626 3.8626 4.5161 4.5161 8.9895 8.9895 9.0218 9.0218 9.1705 9.1705 9.2387 9.2387 k = 0.0000 0.1571-0.0000 ( 6241 PWs) bands (ev): -21.1411 -21.1411 -21.0738 -21.0738 -8.8527 -8.8527 -8.6938 -8.6938 -7.8074 -7.8074 -7.5808 -7.5808 -5.9416 -5.9416 -5.7641 -5.7641 -5.5652 -5.5652 -5.5101 -5.5101 2.3516 2.3516 2.8050 2.8050 2.9717 2.9717 3.2229 3.2229 3.4496 3.4496 3.6295 3.6295 3.8868 3.8868 4.5562 4.5562 8.9842 8.9842 9.0384 9.0384 9.1661 9.1661 9.2141 9.2141 k = 0.0000 0.1714-0.0000 ( 6237 PWs) bands (ev): -21.1398 -21.1398 -21.0741 -21.0741 -8.8543 -8.8543 -8.7004 -8.7004 -7.8056 -7.8056 -7.5805 -7.5805 -5.9419 -5.9419 -5.7634 -5.7634 -5.5679 -5.5679 -5.5091 -5.5091 2.3656 2.3656 2.7781 2.7781 2.9383 2.9383 3.2090 3.2090 3.4321 3.4321 3.6236 3.6236 3.9122 3.9122 4.5938 4.5938 8.9620 8.9620 9.0750 9.0750 9.1605 9.1605 9.1947 9.1947 k = 0.0000 0.1857-0.0000 ( 6237 PWs) bands (ev): -21.1383 -21.1383 -21.0745 -21.0745 -8.8560 -8.8560 -8.7074 -8.7074 -7.8035 -7.8035 -7.5804 -7.5804 -5.9419 -5.9419 -5.7627 -5.7627 -5.5706 -5.5706 -5.5083 -5.5083 2.3797 2.3797 2.7513 2.7513 2.9029 2.9029 3.1969 3.1969 3.4146 3.4146 3.6177 3.6177 3.9387 3.9387 4.6288 4.6288 8.9437 8.9437 9.1082 9.1082 9.1528 9.1528 9.1840 9.1840 k = 0.0000 0.2000-0.0000 ( 6241 PWs) bands (ev): -21.1368 -21.1368 -21.0749 -21.0749 -8.8578 -8.8578 -8.7147 -8.7147 -7.8009 -7.8009 -7.5806 -7.5806 -5.9417 -5.9417 -5.7622 -5.7622 -5.5733 -5.5733 -5.5075 -5.5075 2.3933 2.3933 2.7249 2.7249 2.8668 2.8668 3.1863 3.1863 3.3967 3.3967 3.6116 3.6116 3.9660 3.9660 4.6608 4.6608 8.9310 8.9310 9.1184 9.1184 9.1614 9.1614 9.1814 9.1814 k = 0.0000 0.2143-0.0000 ( 6239 PWs) bands (ev): -21.1351 -21.1351 -21.0753 -21.0753 -8.8596 -8.8596 -8.7223 -8.7223 -7.7980 -7.7980 -7.5810 -7.5810 -5.9412 -5.9412 -5.7619 -5.7619 -5.5759 -5.5759 -5.5070 -5.5070 2.4058 2.4058 2.6993 2.6993 2.8314 2.8314 3.1772 3.1772 3.3784 3.3784 3.6050 3.6050 3.9941 3.9941 4.6896 4.6896 8.9246 8.9246 9.1067 9.1067 9.1782 9.1782 9.1934 9.1934 k = 0.0000 0.2286-0.0000 ( 6227 PWs) bands (ev): -21.1334 -21.1334 -21.0758 -21.0758 -8.8614 -8.8614 -8.7301 -8.7301 -7.7946 -7.7946 -7.5817 -7.5817 -5.9403 -5.9403 -5.7618 -5.7618 -5.5784 -5.5784 -5.5067 -5.5067 2.4162 2.4162 2.6744 2.6744 2.7983 2.7983 3.1692 3.1692 3.3597 3.3597 3.5977 3.5977 4.0228 4.0228 4.7151 4.7151 8.9248 8.9248 9.0931 9.0931 9.1814 9.1814 9.2212 9.2212 k = 0.0000 0.2429-0.0000 ( 6221 PWs) bands (ev): -21.1317 -21.1317 -21.0763 -21.0763 -8.8632 -8.8632 -8.7381 -8.7381 -7.7908 -7.7908 -7.5828 -7.5828 -5.9391 -5.9391 -5.7621 -5.7621 -5.5807 -5.5807 -5.5066 -5.5066 2.4236 2.4236 2.6498 2.6498 2.7696 2.7696 3.1623 3.1623 3.3407 3.3407 3.5894 3.5894 4.0520 4.0520 4.7370 4.7370 8.9316 8.9316 9.0814 9.0814 9.1849 9.1849 9.2475 9.2475 k = 0.0000 0.2571-0.0000 ( 6221 PWs) bands (ev): -21.1299 -21.1299 -21.0769 -21.0769 -8.8650 -8.8650 -8.7462 -8.7462 -7.7866 -7.7866 -7.5842 -7.5842 -5.9374 -5.9374 -5.7628 -5.7628 -5.5827 -5.5827 -5.5068 -5.5068 2.4268 2.4268 2.6246 2.6246 2.7478 2.7478 3.1562 3.1562 3.3214 3.3214 3.5800 3.5800 4.0817 4.0817 4.7554 4.7554 8.9450 8.9450 9.0726 9.0726 9.1895 9.1895 9.2711 9.2711 k = 0.0000 0.2714-0.0000 ( 6225 PWs) bands (ev): -21.1280 -21.1280 -21.0776 -21.0776 -8.8667 -8.8667 -8.7545 -8.7545 -7.7819 -7.7819 -7.5861 -7.5861 -5.9353 -5.9353 -5.7639 -5.7639 -5.5844 -5.5844 -5.5073 -5.5073 2.4254 2.4254 2.5978 2.5978 2.7350 2.7350 3.1511 3.1511 3.3020 3.3020 3.5693 3.5693 4.1116 4.1116 4.7700 4.7700 8.9644 8.9644 9.0673 9.0673 9.1955 9.1955 9.2921 9.2921 k = 0.0000 0.2857-0.0000 ( 6235 PWs) bands (ev): -21.1261 -21.1261 -21.0783 -21.0783 -8.8683 -8.8683 -8.7627 -8.7627 -7.7769 -7.7769 -7.5883 -7.5883 -5.9329 -5.9329 -5.7656 -5.7656 -5.5856 -5.5856 -5.5080 -5.5080 2.4194 2.4194 2.5693 2.5693 2.7315 2.7315 3.1468 3.1468 3.2826 3.2826 3.5573 3.5573 4.1419 4.1419 4.7810 4.7810 8.9890 8.9890 9.0662 9.0662 9.2032 9.2032 9.3106 9.3106 k = 0.0000 0.3000-0.0000 ( 6234 PWs) bands (ev): -21.1241 -21.1241 -21.0791 -21.0791 -8.8698 -8.8698 -8.7710 -8.7710 -7.7714 -7.7714 -7.5909 -7.5909 -5.9299 -5.9299 -5.7678 -5.7678 -5.5864 -5.5864 -5.5090 -5.5090 2.4094 2.4094 2.5398 2.5398 2.7363 2.7363 3.1434 3.1434 3.2632 3.2632 3.5438 3.5438 4.1723 4.1723 4.7883 4.7883 9.0164 9.0164 9.0710 9.0710 9.2133 9.2133 9.3272 9.3272 k = 0.0000 0.3143-0.0000 ( 6230 PWs) bands (ev): -21.1221 -21.1221 -21.0799 -21.0799 -8.8711 -8.8711 -8.7792 -8.7792 -7.7655 -7.7655 -7.5940 -7.5940 -5.9265 -5.9265 -5.7706 -5.7706 -5.5867 -5.5867 -5.5104 -5.5104 2.3967 2.3967 2.5101 2.5101 2.7475 2.7475 3.1409 3.1409 3.2440 3.2440 3.5289 3.5289 4.2029 4.2029 4.7920 4.7920 9.0411 9.0411 9.0857 9.0857 9.2270 9.2270 9.3418 9.3418 k = 0.0000 0.3286-0.0000 ( 6232 PWs) bands (ev): -21.1201 -21.1201 -21.0808 -21.0808 -8.8723 -8.8723 -8.7872 -8.7872 -7.7592 -7.7592 -7.5975 -7.5975 -5.9227 -5.9227 -5.7740 -5.7740 -5.5864 -5.5864 -5.5120 -5.5120 2.3824 2.3824 2.4811 2.4811 2.7633 2.7633 3.1394 3.1394 3.2251 3.2251 3.5126 3.5126 4.2337 4.2337 4.7923 4.7923 9.0587 9.0587 9.1124 9.1124 9.2465 9.2465 9.3546 9.3546 k = 0.0000 0.3429-0.0000 ( 6228 PWs) bands (ev): -21.1181 -21.1181 -21.0817 -21.0817 -8.8732 -8.8732 -8.7951 -8.7951 -7.7526 -7.7526 -7.6014 -7.6014 -5.9185 -5.9185 -5.7779 -5.7779 -5.5856 -5.5856 -5.5140 -5.5140 2.3675 2.3675 2.4533 2.4533 2.7824 2.7824 3.1390 3.1390 3.2065 3.2065 3.4948 3.4948 4.2645 4.2645 4.7892 4.7892 9.0736 9.0736 9.1429 9.1429 9.2750 9.2750 9.3655 9.3655 k = 0.0000 0.3571-0.0000 ( 6230 PWs) bands (ev): -21.1161 -21.1161 -21.0828 -21.0828 -8.8738 -8.8738 -8.8028 -8.8028 -7.7458 -7.7458 -7.6057 -7.6057 -5.9138 -5.9138 -5.7825 -5.7825 -5.5843 -5.5843 -5.5162 -5.5162 2.3525 2.3525 2.4270 2.4270 2.8037 2.8037 3.1396 3.1396 3.1884 3.1884 3.4758 3.4758 4.2953 4.2953 4.7830 4.7830 9.0898 9.0898 9.1700 9.1700 9.3152 9.3152 9.3744 9.3744 k = 0.0000 0.3714-0.0000 ( 6228 PWs) bands (ev): -21.1140 -21.1140 -21.0839 -21.0839 -8.8742 -8.8742 -8.8102 -8.8102 -7.7386 -7.7386 -7.6105 -7.6105 -5.9087 -5.9087 -5.7876 -5.7876 -5.5824 -5.5824 -5.5188 -5.5188 2.3382 2.3382 2.4026 2.4026 2.8264 2.8264 3.1412 3.1412 3.1712 3.1712 3.4555 3.4555 4.3261 4.3261 4.7737 4.7737 9.1085 9.1085 9.1919 9.1919 9.3665 9.3665 9.3814 9.3814 k = 0.0000 0.3857-0.0000 ( 6234 PWs) bands (ev): -21.1120 -21.1120 -21.0850 -21.0850 -8.8742 -8.8742 -8.8173 -8.8173 -7.7312 -7.7312 -7.6156 -7.6156 -5.9032 -5.9032 -5.7932 -5.7932 -5.5801 -5.5801 -5.5216 -5.5216 2.3250 2.3250 2.3801 2.3801 2.8499 2.8499 3.1418 3.1418 3.1569 3.1569 3.4341 3.4341 4.3568 4.3568 4.7617 4.7617 9.1301 9.1301 9.2102 9.2102 9.3847 9.3847 9.4280 9.4280 k = 0.0000 0.4000-0.0000 ( 6240 PWs) bands (ev): -21.1100 -21.1100 -21.0863 -21.0863 -8.8739 -8.8739 -8.8241 -8.8241 -7.7236 -7.7236 -7.6212 -7.6212 -5.8974 -5.8974 -5.7993 -5.7993 -5.5774 -5.5774 -5.5247 -5.5247 2.3130 2.3130 2.3598 2.3598 2.8736 2.8736 3.1322 3.1322 3.1549 3.1549 3.4118 3.4118 4.3874 4.3874 4.7471 4.7471 9.1548 9.1548 9.2265 9.2265 9.3865 9.3865 9.4946 9.4946 k = 0.0000 0.4143-0.0000 ( 6240 PWs) bands (ev): -21.1080 -21.1080 -21.0876 -21.0876 -8.8732 -8.8732 -8.8305 -8.8305 -7.7159 -7.7159 -7.6271 -7.6271 -5.8912 -5.8912 -5.8058 -5.8058 -5.5743 -5.5743 -5.5280 -5.5280 2.3026 2.3026 2.3417 2.3417 2.8971 2.8971 3.1168 3.1168 3.1610 3.1610 3.3888 3.3888 4.4178 4.4178 4.7302 4.7302 9.1822 9.1822 9.2421 9.2421 9.3860 9.3860 9.5652 9.5652 k = 0.0000 0.4286-0.0000 ( 6232 PWs) bands (ev): -21.1060 -21.1060 -21.0890 -21.0890 -8.8721 -8.8721 -8.8365 -8.8365 -7.7081 -7.7081 -7.6333 -7.6333 -5.8847 -5.8847 -5.8125 -5.8125 -5.5710 -5.5710 -5.5315 -5.5315 2.2940 2.2940 2.3258 2.3258 2.9200 2.9200 3.1008 3.1008 3.1702 3.1702 3.3652 3.3652 4.4480 4.4480 4.7112 4.7112 9.2118 9.2118 9.2578 9.2578 9.3834 9.3834 9.6377 9.6377 k = 0.0000 0.4429-0.0000 ( 6236 PWs) bands (ev): -21.1041 -21.1041 -21.0904 -21.0904 -8.8706 -8.8706 -8.8422 -8.8422 -7.7002 -7.7002 -7.6399 -7.6399 -5.8779 -5.8779 -5.8196 -5.8196 -5.5673 -5.5673 -5.5352 -5.5352 2.2873 2.2873 2.3123 2.3123 2.9421 2.9421 3.0849 3.0849 3.1817 3.1817 3.3414 3.3414 4.4778 4.4778 4.6903 4.6903 9.2418 9.2418 9.2747 9.2747 9.3798 9.3798 9.6557 9.6557 k = 0.0000 0.4571-0.0000 ( 6236 PWs) bands (ev): -21.1022 -21.1022 -21.0919 -21.0919 -8.8687 -8.8687 -8.8473 -8.8473 -7.6923 -7.6923 -7.6468 -7.6468 -5.8710 -5.8710 -5.8268 -5.8268 -5.5635 -5.5635 -5.5391 -5.5391 2.2826 2.2826 2.3011 2.3011 2.9631 2.9631 3.0689 3.0689 3.1956 3.1956 3.3177 3.3177 4.5073 4.5073 4.6677 4.6677 9.2684 9.2684 9.2946 9.2946 9.3773 9.3773 9.5993 9.5993 k = 0.0000 0.4714-0.0000 ( 6222 PWs) bands (ev): -21.1004 -21.1004 -21.0935 -21.0935 -8.8663 -8.8663 -8.8521 -8.8521 -7.6844 -7.6844 -7.6539 -7.6539 -5.8638 -5.8638 -5.8342 -5.8342 -5.5595 -5.5595 -5.5431 -5.5431 2.2800 2.2800 2.2923 2.2923 2.9830 2.9830 3.0528 3.0528 3.2118 3.2118 3.2943 3.2943 4.5361 4.5361 4.6436 4.6436 9.2879 9.2879 9.3140 9.3140 9.3832 9.3832 9.5450 9.5450 k = 0.0000 0.4857-0.0000 ( 6224 PWs) bands (ev): -21.0986 -21.0986 -21.0951 -21.0951 -8.8634 -8.8634 -8.8563 -8.8563 -7.6766 -7.6766 -7.6613 -7.6613 -5.8565 -5.8565 -5.8416 -5.8416 -5.5554 -5.5554 -5.5471 -5.5471 2.2797 2.2797 2.2857 2.2857 3.0017 3.0017 3.0364 3.0364 3.2300 3.2300 3.2717 3.2717 4.5643 4.5643 4.6182 4.6182 9.3027 9.3027 9.3201 9.3201 9.4077 9.4077 9.4939 9.4939 k = 0.0000 0.5000-0.0000 ( 6216 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8601 -8.8601 -8.8601 -8.8601 -7.6689 -7.6689 -7.6689 -7.6689 -5.8491 -5.8491 -5.8491 -5.8491 -5.5513 -5.5513 -5.5513 -5.5513 2.2816 2.2816 2.2816 2.2816 3.0194 3.0194 3.0194 3.0194 3.2501 3.2501 3.2501 3.2501 4.5918 4.5918 4.5918 4.5918 9.3141 9.3141 9.3141 9.3141 9.4471 9.4471 9.4471 9.4471 k = 0.0000 0.5000-0.0000 ( 6216 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8601 -8.8601 -8.8601 -8.8601 -7.6689 -7.6689 -7.6689 -7.6689 -5.8491 -5.8491 -5.8491 -5.8491 -5.5513 -5.5513 -5.5513 -5.5513 2.2816 2.2816 2.2816 2.2816 3.0194 3.0194 3.0194 3.0194 3.2501 3.2501 3.2501 3.2501 4.5918 4.5918 4.5918 4.5918 9.3141 9.3141 9.3141 9.3141 9.4471 9.4471 9.4471 9.4471 k = 0.0143 0.5000-0.0000 ( 6224 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8598 -8.8598 -8.8597 -8.8597 -7.6700 -7.6700 -7.6684 -7.6684 -5.8562 -5.8562 -5.8423 -5.8423 -5.5578 -5.5578 -5.5458 -5.5458 2.2823 2.2823 2.2831 2.2831 3.0080 3.0080 3.0308 3.0308 3.2365 3.2365 3.2640 3.2640 4.5889 4.5889 4.5916 4.5916 9.2992 9.2992 9.3241 9.3241 9.4366 9.4366 9.4672 9.4672 k = 0.0286 0.5000-0.0000 ( 6220 PWs) bands (ev): -21.0967 -21.0967 -21.0967 -21.0967 -8.8588 -8.8588 -8.8587 -8.8587 -7.6717 -7.6717 -7.6684 -7.6684 -5.8636 -5.8636 -5.8360 -5.8360 -5.5655 -5.5655 -5.5414 -5.5414 2.2853 2.2853 2.2871 2.2871 2.9969 2.9969 3.0419 3.0419 3.2235 3.2235 3.2780 3.2780 4.5832 4.5832 4.5886 4.5886 9.2829 9.2829 9.3252 9.3252 9.4399 9.4399 9.4933 9.4933 k = 0.0429 0.5000-0.0000 ( 6228 PWs) bands (ev): -21.0966 -21.0966 -21.0966 -21.0966 -8.8571 -8.8571 -8.8569 -8.8569 -7.6740 -7.6740 -7.6691 -7.6691 -5.8715 -5.8715 -5.8301 -5.8301 -5.5742 -5.5742 -5.5381 -5.5381 2.2904 2.2904 2.2933 2.2933 2.9863 2.9863 3.0522 3.0522 3.2114 3.2114 3.2917 3.2917 4.5746 4.5746 4.5827 4.5827 9.2669 9.2669 9.3176 9.3176 9.4567 9.4567 9.5237 9.5237 k = 0.0571 0.5000-0.0000 ( 6222 PWs) bands (ev): -21.0964 -21.0964 -21.0964 -21.0964 -8.8547 -8.8547 -8.8545 -8.8545 -7.6769 -7.6769 -7.6704 -7.6704 -5.8796 -5.8796 -5.8246 -5.8246 -5.5839 -5.5839 -5.5358 -5.5358 2.2975 2.2975 2.3017 2.3017 2.9766 2.9766 3.0614 3.0614 3.2007 3.2007 3.3051 3.3051 4.5633 4.5633 4.5741 4.5741 9.2519 9.2519 9.3054 9.3054 9.4829 9.4829 9.5576 9.5576 k = 0.0714 0.5000-0.0000 ( 6226 PWs) bands (ev): -21.0962 -21.0962 -21.0962 -21.0962 -8.8517 -8.8517 -8.8514 -8.8514 -7.6803 -7.6803 -7.6724 -7.6724 -5.8880 -5.8880 -5.8195 -5.8195 -5.5946 -5.5946 -5.5346 -5.5346 2.3064 2.3064 2.3122 2.3122 2.9679 2.9679 3.0690 3.0690 3.1921 3.1921 3.3180 3.3180 4.5495 4.5495 4.5631 4.5631 9.2379 9.2379 9.2916 9.2916 9.5153 9.5153 9.5946 9.5946 k = 0.0857 0.5000-0.0000 ( 6226 PWs) bands (ev): -21.0959 -21.0959 -21.0959 -21.0959 -8.8480 -8.8480 -8.8477 -8.8477 -7.6843 -7.6843 -7.6749 -7.6749 -5.8967 -5.8967 -5.8147 -5.8147 -5.6062 -5.6062 -5.5345 -5.5345 2.3168 2.3168 2.3245 2.3245 2.9606 2.9606 3.0744 3.0744 3.1859 3.1859 3.3302 3.3302 4.5335 4.5335 4.5497 4.5497 9.2252 9.2252 9.2778 9.2778 9.5524 9.5524 9.6347 9.6347 k = 0.1000 0.5000-0.0000 ( 6218 PWs) bands (ev): -21.0956 -21.0956 -21.0956 -21.0956 -8.8437 -8.8437 -8.8433 -8.8433 -7.6888 -7.6888 -7.6780 -7.6780 -5.9055 -5.9055 -5.8104 -5.8104 -5.6187 -5.6187 -5.5353 -5.5353 2.3283 2.3283 2.3384 2.3384 2.9551 2.9551 3.0772 3.0772 3.1828 3.1828 3.3416 3.3416 4.5154 4.5154 4.5344 4.5344 9.2134 9.2134 9.2644 9.2644 9.5936 9.5936 9.6779 9.6779 k = 0.1143 0.5000-0.0000 ( 6222 PWs) bands (ev): -21.0953 -21.0953 -21.0953 -21.0953 -8.8387 -8.8387 -8.8384 -8.8384 -7.6937 -7.6937 -7.6817 -7.6817 -5.9145 -5.9145 -5.8065 -5.8065 -5.6321 -5.6321 -5.5371 -5.5371 2.3406 2.3406 2.3538 2.3538 2.9514 2.9514 3.0776 3.0776 3.1829 3.1829 3.3520 3.3520 4.4957 4.4957 4.5173 4.5173 9.2026 9.2026 9.2516 9.2516 9.6386 9.6386 9.7241 9.7241 k = 0.1286 0.5000-0.0000 ( 6222 PWs) bands (ev): -21.0949 -21.0949 -21.0949 -21.0949 -8.8332 -8.8332 -8.8328 -8.8328 -7.6992 -7.6992 -7.6860 -7.6860 -5.9237 -5.9237 -5.8029 -5.8029 -5.6461 -5.6461 -5.5397 -5.5397 2.3534 2.3534 2.3701 2.3701 2.9500 2.9500 3.0759 3.0759 3.1856 3.1856 3.3615 3.3615 4.4747 4.4747 4.4989 4.4989 9.1924 9.1924 9.2392 9.2392 9.6873 9.6873 9.7735 9.7735 k = 0.1429 0.5000-0.0000 ( 6226 PWs) bands (ev): -21.0945 -21.0945 -21.0945 -21.0945 -8.8272 -8.8272 -8.8267 -8.8267 -7.7051 -7.7051 -7.6908 -7.6908 -5.9328 -5.9328 -5.7996 -5.7996 -5.6609 -5.6609 -5.5432 -5.5432 2.3662 2.3662 2.3871 2.3871 2.9511 2.9511 3.0730 3.0730 3.1903 3.1903 3.3697 3.3697 4.4527 4.4527 4.4795 4.4795 9.1826 9.1826 9.2272 9.2272 9.7395 9.7395 9.8261 9.8261 k = 0.1571 0.5000-0.0000 ( 6230 PWs) bands (ev): -21.0940 -21.0940 -21.0940 -21.0940 -8.8206 -8.8206 -8.8201 -8.8201 -7.7114 -7.7114 -7.6962 -7.6962 -5.9420 -5.9420 -5.7967 -5.7967 -5.6762 -5.6762 -5.5475 -5.5475 2.3786 2.3786 2.4045 2.4045 2.9547 2.9547 3.0697 3.0697 3.1965 3.1965 3.3768 3.3768 4.4302 4.4302 4.4594 4.4594 9.1730 9.1730 9.2154 9.2154 9.7954 9.7954 9.8821 9.8821 k = 0.1714 0.5000-0.0000 ( 6228 PWs) bands (ev): -21.0935 -21.0935 -21.0935 -21.0935 -8.8135 -8.8135 -8.8130 -8.8130 -7.7181 -7.7181 -7.7021 -7.7021 -5.9510 -5.9510 -5.7941 -5.7941 -5.6920 -5.6920 -5.5525 -5.5525 2.3905 2.3905 2.4218 2.4218 2.9610 2.9610 3.0664 3.0664 3.2036 3.2036 3.3826 3.3826 4.4075 4.4075 4.4390 4.4390 9.1634 9.1634 9.2035 9.2035 9.8548 9.8548 9.9414 9.9414 k = 0.1857 0.5000-0.0000 ( 6228 PWs) bands (ev): -21.0930 -21.0930 -21.0930 -21.0930 -8.8060 -8.8060 -8.8055 -8.8055 -7.7252 -7.7252 -7.7084 -7.7084 -5.9600 -5.9600 -5.7917 -5.7917 -5.7082 -5.7082 -5.5582 -5.5582 2.4014 2.4014 2.4388 2.4388 2.9699 2.9699 3.0635 3.0635 3.2114 3.2114 3.3871 3.3871 4.3851 4.3851 4.4187 4.4187 9.1536 9.1536 9.1914 9.1914 9.9177 9.9177 10.0041 10.0041 k = 0.2000 0.5000-0.0000 ( 6216 PWs) bands (ev): -21.0925 -21.0925 -21.0925 -21.0925 -8.7980 -8.7980 -8.7976 -8.7976 -7.7326 -7.7326 -7.7152 -7.7152 -5.9688 -5.9688 -5.7897 -5.7897 -5.7246 -5.7246 -5.5644 -5.5644 2.4113 2.4113 2.4550 2.4550 2.9813 2.9813 3.0611 3.0611 3.2198 3.2198 3.3904 3.3904 4.3634 4.3634 4.3989 4.3989 9.1433 9.1433 9.1788 9.1788 9.9841 9.9841 10.0701 10.0701 k = 0.2143 0.5000-0.0000 ( 6218 PWs) bands (ev): -21.0919 -21.0919 -21.0919 -21.0919 -8.7898 -8.7898 -8.7893 -8.7893 -7.7402 -7.7402 -7.7224 -7.7224 -5.9773 -5.9773 -5.7881 -5.7881 -5.7411 -5.7411 -5.5712 -5.5712 2.4200 2.4200 2.4703 2.4703 2.9948 2.9948 3.0593 3.0593 3.2289 3.2289 3.3923 3.3923 4.3427 4.3427 4.3799 4.3799 9.1324 9.1324 9.1657 9.1657 10.0539 10.0539 10.1396 10.1396 k = 0.2286 0.5000-0.0000 ( 6234 PWs) bands (ev): -21.0914 -21.0914 -21.0914 -21.0914 -8.7812 -8.7812 -8.7807 -8.7807 -7.7480 -7.7480 -7.7299 -7.7299 -5.9855 -5.9855 -5.7875 -5.7875 -5.7568 -5.7568 -5.5784 -5.5784 2.4277 2.4277 2.4843 2.4843 3.0100 3.0100 3.0579 3.0579 3.2385 3.2385 3.3931 3.3931 4.3235 4.3235 4.3619 4.3619 9.1208 9.1208 9.1518 9.1518 10.1270 10.1270 10.2123 10.2123 k = 0.2429 0.5000-0.0000 ( 6230 PWs) bands (ev): -21.0908 -21.0908 -21.0908 -21.0908 -8.7724 -8.7724 -8.7720 -8.7720 -7.7560 -7.7560 -7.7378 -7.7378 -5.9934 -5.9934 -5.7900 -5.7900 -5.7697 -5.7697 -5.5860 -5.5860 2.4343 2.4343 2.4969 2.4969 3.0263 3.0263 3.0567 3.0567 3.2488 3.2488 3.3929 3.3929 4.3060 4.3060 4.3454 4.3454 9.1084 9.1084 9.1372 9.1372 10.2034 10.2034 10.2883 10.2883 k = 0.2571 0.5000-0.0000 ( 6230 PWs) bands (ev): -21.0902 -21.0902 -21.0902 -21.0902 -8.7634 -8.7634 -8.7630 -8.7630 -7.7641 -7.7641 -7.7459 -7.7459 -6.0009 -6.0009 -5.8001 -5.8001 -5.7749 -5.7749 -5.5939 -5.5939 2.4401 2.4401 2.5081 2.5081 3.0431 3.0431 3.0555 3.0555 3.2599 3.2599 3.3917 3.3917 4.2906 4.2906 4.3305 4.3305 9.0952 9.0952 9.1217 9.1217 10.2829 10.2829 10.3674 10.3674 k = 0.2714 0.5000-0.0000 ( 6230 PWs) bands (ev): -21.0897 -21.0897 -21.0897 -21.0897 -8.7543 -8.7543 -8.7539 -8.7539 -7.7723 -7.7723 -7.7542 -7.7542 -6.0079 -6.0079 -5.8152 -5.8152 -5.7752 -5.7752 -5.6020 -5.6020 2.4452 2.4452 2.5179 2.5179 3.0540 3.0540 3.0597 3.0597 3.2717 3.2717 3.3900 3.3900 4.2774 4.2774 4.3175 4.3175 9.0811 9.0811 9.1054 9.1054 10.3653 10.3653 10.4494 10.4494 k = 0.2857 0.5000-0.0000 ( 6230 PWs) bands (ev): -21.0891 -21.0891 -21.0891 -21.0891 -8.7452 -8.7452 -8.7448 -8.7448 -7.7804 -7.7804 -7.7626 -7.7626 -6.0143 -6.0143 -5.8314 -5.8314 -5.7741 -5.7741 -5.6104 -5.6104 2.4498 2.4498 2.5261 2.5261 3.0521 3.0521 3.0752 3.0752 3.2841 3.2841 3.3880 3.3880 4.2668 4.2668 4.3065 4.3065 9.0662 9.0662 9.0884 9.0884 10.4505 10.4505 10.5341 10.5341 k = 0.3000 0.5000-0.0000 ( 6226 PWs) bands (ev): -21.0886 -21.0886 -21.0886 -21.0886 -8.7361 -8.7361 -8.7358 -8.7358 -7.7885 -7.7885 -7.7711 -7.7711 -6.0202 -6.0202 -5.8479 -5.8479 -5.7725 -5.7725 -5.6188 -5.6188 2.4541 2.4541 2.5331 2.5331 3.0497 3.0497 3.0890 3.0890 3.2969 3.2969 3.3861 3.3861 4.2586 4.2586 4.2976 4.2976 9.0506 9.0506 9.0708 9.0708 10.5382 10.5382 10.6214 10.6214 k = 0.3143 0.5000-0.0000 ( 6222 PWs) bands (ev): -21.0880 -21.0880 -21.0880 -21.0880 -8.7271 -8.7271 -8.7268 -8.7268 -7.7964 -7.7964 -7.7796 -7.7796 -6.0255 -6.0255 -5.8642 -5.8642 -5.7706 -5.7706 -5.6273 -5.6273 2.4583 2.4583 2.5387 2.5387 3.0468 3.0468 3.1003 3.1003 3.3099 3.3099 3.3848 3.3848 4.2530 4.2530 4.2908 4.2908 9.0345 9.0345 9.0527 9.0527 10.6281 10.6281 10.7107 10.7107 k = 0.3286 0.5000-0.0000 ( 6222 PWs) bands (ev): -21.0875 -21.0875 -21.0875 -21.0875 -8.7183 -8.7183 -8.7180 -8.7180 -7.8041 -7.8041 -7.7880 -7.7880 -6.0301 -6.0301 -5.8801 -5.8801 -5.7685 -5.7685 -5.6358 -5.6358 2.4624 2.4624 2.5431 2.5431 3.0435 3.0435 3.1087 3.1087 3.3229 3.3229 3.3842 3.3842 4.2499 4.2499 4.2861 4.2861 9.0180 9.0180 9.0343 9.0343 10.7198 10.7198 10.8017 10.8017 k = 0.3429 0.5000-0.0000 ( 6214 PWs) bands (ev): -21.0870 -21.0870 -21.0870 -21.0870 -8.7097 -8.7097 -8.7096 -8.7096 -7.8115 -7.8115 -7.7962 -7.7962 -6.0340 -6.0340 -5.8957 -5.8957 -5.7663 -5.7663 -5.6443 -5.6443 2.4666 2.4666 2.5465 2.5465 3.0399 3.0399 3.1138 3.1138 3.3355 3.3355 3.3848 3.3848 4.2491 4.2491 4.2833 4.2833 9.0014 9.0014 9.0159 9.0159 10.8128 10.8128 10.8939 10.8939 k = 0.3571 0.5000-0.0000 ( 6226 PWs) bands (ev): -21.0866 -21.0866 -21.0866 -21.0866 -8.7015 -8.7015 -8.7014 -8.7014 -7.8185 -7.8185 -7.8042 -7.8042 -6.0372 -6.0372 -5.9108 -5.9108 -5.7638 -5.7638 -5.6526 -5.6526 2.4710 2.4710 2.5488 2.5488 3.0363 3.0363 3.1155 3.1155 3.3475 3.3475 3.3864 3.3864 4.2503 4.2503 4.2822 4.2822 8.9850 8.9850 8.9978 8.9978 10.9064 10.9064 10.9864 10.9864 k = 0.3714 0.5000-0.0000 ( 6218 PWs) bands (ev): -21.0861 -21.0861 -21.0861 -21.0861 -8.6938 -8.6938 -8.6937 -8.6937 -7.8251 -7.8251 -7.8119 -7.8119 -6.0395 -6.0395 -5.9252 -5.9252 -5.7610 -5.7610 -5.6609 -5.6609 2.4757 2.4757 2.5502 2.5502 3.0329 3.0329 3.1141 3.1141 3.3587 3.3587 3.3890 3.3890 4.2533 4.2533 4.2826 4.2826 8.9690 8.9690 8.9802 8.9802 10.9999 10.9999 11.0783 11.0783 k = 0.3857 0.5000-0.0000 ( 6220 PWs) bands (ev): -21.0858 -21.0858 -21.0857 -21.0857 -8.6866 -8.6866 -8.6865 -8.6865 -7.8311 -7.8311 -7.8191 -7.8191 -6.0410 -6.0410 -5.9390 -5.9390 -5.7581 -5.7581 -5.6689 -5.6689 2.4806 2.4806 2.5506 2.5506 3.0300 3.0300 3.1100 3.1100 3.3689 3.3689 3.3923 3.3923 4.2577 4.2577 4.2841 4.2841 8.9537 8.9537 8.9633 8.9633 11.0919 11.0919 11.1679 11.1679 k = 0.4000 0.5000-0.0000 ( 6226 PWs) bands (ev): -21.0854 -21.0854 -21.0854 -21.0854 -8.6800 -8.6800 -8.6800 -8.6800 -7.8366 -7.8366 -7.8258 -7.8258 -6.0416 -6.0416 -5.9521 -5.9521 -5.7548 -5.7548 -5.6768 -5.6768 2.4858 2.4858 2.5502 2.5502 3.0277 3.0277 3.1038 3.1038 3.3780 3.3780 3.3960 3.3960 4.2630 4.2630 4.2865 4.2865 8.9394 8.9394 8.9476 8.9476 11.1809 11.1809 11.2533 11.2533 k = 0.4143 0.5000-0.0000 ( 6220 PWs) bands (ev): -21.0851 -21.0851 -21.0851 -21.0851 -8.6741 -8.6741 -8.6741 -8.6741 -7.8414 -7.8414 -7.8320 -7.8320 -6.0414 -6.0414 -5.9645 -5.9645 -5.7513 -5.7513 -5.6844 -5.6844 2.4913 2.4913 2.5489 2.5489 3.0263 3.0263 3.0959 3.0959 3.3860 3.3860 3.3997 3.3997 4.2689 4.2689 4.2892 4.2892 8.9264 8.9264 8.9333 8.9333 11.2647 11.2647 11.3314 11.3314 k = 0.4286 0.5000-0.0000 ( 6224 PWs) bands (ev): -21.0848 -21.0848 -21.0848 -21.0848 -8.6690 -8.6690 -8.6690 -8.6690 -7.8454 -7.8454 -7.8374 -7.8374 -6.0402 -6.0402 -5.9760 -5.9760 -5.7475 -5.7475 -5.6917 -5.6917 2.4970 2.4970 2.5468 2.5468 3.0260 3.0260 3.0871 3.0871 3.3928 3.3928 3.4031 3.4031 4.2750 4.2750 4.2920 4.2920 8.9150 8.9150 8.9206 8.9206 11.3404 11.3404 11.3988 11.3988 k = 0.4429 0.5000-0.0000 ( 6236 PWs) bands (ev): -21.0846 -21.0846 -21.0846 -21.0846 -8.6647 -8.6647 -8.6646 -8.6646 -7.8486 -7.8486 -7.8422 -7.8422 -6.0381 -6.0381 -5.9866 -5.9866 -5.7434 -5.7434 -5.6987 -5.6987 2.5029 2.5029 2.5439 2.5439 3.0269 3.0269 3.0779 3.0779 3.3985 3.3985 3.4060 3.4060 4.2809 4.2809 4.2946 4.2946 8.9053 8.9053 8.9097 8.9097 11.4048 11.4048 11.4522 11.4522 k = 0.4571 0.5000-0.0000 ( 6228 PWs) bands (ev): -21.0844 -21.0844 -21.0844 -21.0844 -8.6613 -8.6613 -8.6612 -8.6612 -7.8510 -7.8510 -7.8461 -7.8461 -6.0351 -6.0351 -5.9964 -5.9964 -5.7390 -5.7390 -5.7055 -5.7055 2.5088 2.5088 2.5403 2.5403 3.0292 3.0292 3.0686 3.0686 3.4030 3.4030 3.4083 3.4083 4.2862 4.2862 4.2965 4.2965 8.8977 8.8977 8.9010 8.9010 11.4556 11.4556 11.4904 11.4904 k = 0.4714 0.5000-0.0000 ( 6228 PWs) bands (ev): -21.0843 -21.0843 -21.0843 -21.0843 -8.6588 -8.6588 -8.6588 -8.6588 -7.8525 -7.8525 -7.8492 -7.8492 -6.0310 -6.0310 -6.0052 -6.0052 -5.7342 -5.7342 -5.7119 -5.7119 2.5147 2.5147 2.5361 2.5361 3.0328 3.0328 3.0596 3.0596 3.4064 3.4064 3.4097 3.4097 4.2907 4.2907 4.2976 4.2976 8.8923 8.8923 8.8944 8.8944 11.4920 11.4920 11.5142 11.5142 k = 0.4857 0.5000-0.0000 ( 6244 PWs) bands (ev): -21.0842 -21.0842 -21.0842 -21.0842 -8.6573 -8.6573 -8.6573 -8.6573 -7.8531 -7.8531 -7.8514 -7.8514 -6.0260 -6.0260 -6.0131 -6.0131 -5.7292 -5.7292 -5.7180 -5.7180 2.5205 2.5205 2.5313 2.5313 3.0377 3.0377 3.0513 3.0513 3.4087 3.4087 3.4103 3.4103 4.2941 4.2941 4.2976 4.2976 8.8892 8.8892 8.8903 8.8903 11.5148 11.5148 11.5255 11.5255 k = 0.5000 0.5000-0.0000 ( 6252 PWs) bands (ev): -21.0842 -21.0842 -21.0842 -21.0842 -8.6568 -8.6568 -8.6568 -8.6568 -7.8527 -7.8527 -7.8527 -7.8527 -6.0201 -6.0201 -6.0201 -6.0201 -5.7237 -5.7237 -5.7237 -5.7237 2.5261 2.5261 2.5261 2.5261 3.0440 3.0440 3.0440 3.0440 3.4100 3.4100 3.4100 3.4100 4.2965 4.2965 4.2965 4.2965 8.8885 8.8885 8.8885 8.8885 11.5257 11.5257 11.5257 11.5257 k = 0.5000 0.5000-0.0000 ( 6252 PWs) bands (ev): -21.0842 -21.0842 -21.0842 -21.0842 -8.6568 -8.6568 -8.6568 -8.6568 -7.8527 -7.8527 -7.8527 -7.8527 -6.0201 -6.0201 -6.0201 -6.0201 -5.7237 -5.7237 -5.7237 -5.7237 2.5261 2.5261 2.5261 2.5261 3.0440 3.0440 3.0440 3.0440 3.4100 3.4100 3.4100 3.4100 4.2965 4.2965 4.2965 4.2965 8.8885 8.8885 8.8885 8.8885 11.5257 11.5257 11.5257 11.5257 k = 0.4898 0.4898-0.0000 ( 6252 PWs) bands (ev): -21.0843 -21.0843 -21.0842 -21.0842 -8.6574 -8.6574 -8.6571 -8.6571 -7.8531 -7.8531 -7.8514 -7.8514 -6.0261 -6.0261 -6.0130 -6.0130 -5.7292 -5.7292 -5.7179 -5.7179 2.5204 2.5204 2.5314 2.5314 3.0377 3.0377 3.0514 3.0514 3.4084 3.4084 3.4106 3.4106 4.2941 4.2941 4.2976 4.2976 8.8881 8.8881 8.8914 8.8914 11.5147 11.5147 11.5256 11.5256 k = 0.4796 0.4796-0.0000 ( 6234 PWs) bands (ev): -21.0844 -21.0844 -21.0841 -21.0841 -8.6594 -8.6594 -8.6582 -8.6582 -7.8527 -7.8527 -7.8490 -7.8490 -6.0312 -6.0312 -6.0050 -6.0050 -5.7343 -5.7343 -5.7118 -5.7118 2.5143 2.5143 2.5365 2.5365 3.0326 3.0326 3.0598 3.0598 3.4048 3.4048 3.4113 3.4113 4.2905 4.2905 4.2976 4.2976 8.8870 8.8870 8.8999 8.8999 11.4927 11.4927 11.5152 11.5152 k = 0.4694 0.4694-0.0000 ( 6230 PWs) bands (ev): -21.0848 -21.0848 -21.0841 -21.0841 -8.6626 -8.6626 -8.6600 -8.6600 -7.8516 -7.8516 -7.8454 -7.8454 -6.0353 -6.0353 -5.9959 -5.9959 -5.7390 -5.7390 -5.7054 -5.7054 2.5077 2.5077 2.5416 2.5416 3.0287 3.0287 3.0689 3.0689 3.3988 3.3988 3.4125 3.4125 4.2857 4.2857 4.2967 4.2967 8.8853 8.8853 8.9136 8.9136 11.4606 11.4606 11.4957 11.4957 k = 0.4592 0.4592-0.0000 ( 6240 PWs) bands (ev): -21.0852 -21.0852 -21.0840 -21.0840 -8.6670 -8.6670 -8.6624 -8.6624 -7.8500 -7.8500 -7.8406 -7.8406 -6.0386 -6.0386 -5.9859 -5.9859 -5.7433 -5.7433 -5.6987 -5.6987 2.5007 2.5007 2.5467 2.5467 3.0259 3.0259 3.0784 3.0784 3.3908 3.3908 3.4141 3.4141 4.2799 4.2799 4.2949 4.2949 8.8828 8.8828 8.9324 8.9324 11.4201 11.4201 11.4683 11.4683 k = 0.4490 0.4490-0.0000 ( 6240 PWs) bands (ev): -21.0858 -21.0858 -21.0839 -21.0839 -8.6725 -8.6725 -8.6655 -8.6655 -7.8479 -7.8479 -7.8348 -7.8348 -6.0411 -6.0411 -5.9748 -5.9748 -5.7472 -5.7472 -5.6918 -5.6918 2.4933 2.4933 2.5520 2.5520 3.0241 3.0241 3.0879 3.0879 3.3809 3.3809 3.4161 3.4161 4.2734 4.2734 4.2923 4.2923 8.8795 8.8795 8.9556 8.9556 11.3732 11.3732 11.4340 11.4340 k = 0.4388 0.4388-0.0000 ( 6220 PWs) bands (ev): -21.0865 -21.0865 -21.0837 -21.0837 -8.6790 -8.6790 -8.6690 -8.6690 -7.8454 -7.8454 -7.8278 -7.8278 -6.0428 -6.0428 -5.9627 -5.9627 -5.7506 -5.7506 -5.6848 -5.6848 2.4858 2.4858 2.5576 2.5576 3.0228 3.0228 3.0970 3.0970 3.3694 3.3694 3.4186 3.4186 4.2667 4.2667 4.2892 4.2892 8.8755 8.8755 8.9825 8.9825 11.3214 11.3214 11.3933 11.3933 k = 0.4286 0.4286-0.0000 ( 6218 PWs) bands (ev): -21.0874 -21.0874 -21.0835 -21.0835 -8.6864 -8.6864 -8.6731 -8.6731 -7.8426 -7.8426 -7.8200 -7.8200 -6.0439 -6.0439 -5.9496 -5.9496 -5.7535 -5.7535 -5.6776 -5.6776 2.4782 2.4782 2.5635 2.5635 3.0217 3.0217 3.1054 3.1054 3.3565 3.3565 3.4216 3.4216 4.2603 4.2603 4.2856 4.2856 8.8707 8.8707 9.0124 9.0124 11.2655 11.2655 11.3457 11.3457 k = 0.4184 0.4184-0.0000 ( 6220 PWs) bands (ev): -21.0883 -21.0883 -21.0833 -21.0833 -8.6944 -8.6944 -8.6775 -8.6775 -7.8396 -7.8396 -7.8113 -7.8113 -6.0442 -6.0442 -5.9357 -5.9357 -5.7559 -5.7559 -5.6703 -5.6703 2.4708 2.4708 2.5697 2.5697 3.0204 3.0204 3.1130 3.1130 3.3425 3.3425 3.4251 3.4251 4.2545 4.2545 4.2819 4.2819 8.8653 8.8653 9.0444 9.0444 11.2042 11.2042 11.2811 11.2811 k = 0.4082 0.4082-0.0000 ( 6212 PWs) bands (ev): -21.0894 -21.0894 -21.0831 -21.0831 -8.7030 -8.7030 -8.6823 -8.6823 -7.8363 -7.8363 -7.8020 -7.8020 -6.0441 -6.0441 -5.9209 -5.9209 -5.7579 -5.7579 -5.6630 -5.6630 2.4637 2.4637 2.5763 2.5763 3.0184 3.0184 3.1197 3.1197 3.3274 3.3274 3.4291 3.4291 4.2495 4.2495 4.2786 4.2786 8.8594 8.8594 9.0773 9.0773 11.1325 11.1325 11.1863 11.1863 k = 0.3980 0.3980-0.0000 ( 6206 PWs) bands (ev): -21.0905 -21.0905 -21.0829 -21.0829 -8.7121 -8.7121 -8.6873 -8.6873 -7.8330 -7.8330 -7.7920 -7.7920 -6.0434 -6.0434 -5.9053 -5.9053 -5.7592 -5.7592 -5.6557 -5.6557 2.4573 2.4573 2.5833 2.5833 3.0150 3.0150 3.1259 3.1259 3.3112 3.3112 3.4336 3.4336 4.2453 4.2453 4.2764 4.2764 8.8531 8.8531 9.1102 9.1102 11.0446 11.0446 11.0926 11.0926 k = 0.3878 0.3878-0.0000 ( 6208 PWs) bands (ev): -21.0918 -21.0918 -21.0826 -21.0826 -8.7215 -8.7215 -8.6923 -8.6923 -7.8296 -7.8296 -7.7816 -7.7816 -6.0423 -6.0423 -5.8892 -5.8892 -5.7601 -5.7601 -5.6485 -5.6485 2.4517 2.4517 2.5904 2.5904 3.0097 3.0097 3.1320 3.1320 3.2937 3.2937 3.4387 3.4387 4.2410 4.2410 4.2767 4.2767 8.8467 8.8467 9.1418 9.1418 10.9452 10.9452 10.9951 10.9951 k = 0.3776 0.3776-0.0000 ( 6212 PWs) bands (ev): -21.0932 -21.0932 -21.0824 -21.0824 -8.7310 -8.7310 -8.6975 -8.6975 -7.8262 -7.8262 -7.7709 -7.7709 -6.0407 -6.0407 -5.8725 -5.8725 -5.7602 -5.7602 -5.6414 -5.6414 2.4470 2.4470 2.5978 2.5978 3.0024 3.0024 3.1385 3.1385 3.2748 3.2748 3.4443 3.4443 4.2358 4.2358 4.2808 4.2808 8.8405 8.8405 9.1712 9.1712 10.8421 10.8421 10.8884 10.8884 k = 0.3673 0.3673-0.0000 ( 6216 PWs) bands (ev): -21.0947 -21.0947 -21.0821 -21.0821 -8.7407 -8.7407 -8.7026 -8.7026 -7.8229 -7.8229 -7.7599 -7.7599 -6.0389 -6.0389 -5.8554 -5.8554 -5.7598 -5.7598 -5.6345 -5.6345 2.4434 2.4434 2.6051 2.6051 2.9930 2.9930 3.1454 3.1454 3.2545 3.2545 3.4505 3.4505 4.2294 4.2294 4.2892 4.2892 8.8348 8.8348 9.1975 9.1975 10.7384 10.7384 10.7745 10.7745 k = 0.3571 0.3571-0.0000 ( 6220 PWs) bands (ev): -21.0962 -21.0962 -21.0818 -21.0818 -8.7503 -8.7503 -8.7075 -8.7075 -7.8198 -7.8198 -7.7488 -7.7488 -6.0367 -6.0367 -5.8383 -5.8383 -5.7585 -5.7585 -5.6278 -5.6278 2.4411 2.4411 2.6124 2.6124 2.9820 2.9820 3.1525 3.1525 3.2329 3.2329 3.4573 3.4573 4.2218 4.2218 4.3020 4.3020 8.8300 8.8300 9.2197 9.2197 10.6353 10.6353 10.6565 10.6565 k = 0.3469 0.3469-0.0000 ( 6226 PWs) bands (ev): -21.0979 -21.0979 -21.0814 -21.0814 -8.7597 -8.7597 -8.7123 -8.7123 -7.8168 -7.8168 -7.7376 -7.7376 -6.0343 -6.0343 -5.8214 -5.8214 -5.7562 -5.7562 -5.6214 -5.6214 2.4403 2.4403 2.6193 2.6193 2.9697 2.9697 3.1581 3.1581 3.2120 3.2120 3.4648 3.4648 4.2132 4.2132 4.3187 4.3187 8.8265 8.8265 9.2374 9.2374 10.5332 10.5332 10.5371 10.5371 k = 0.3367 0.3367-0.0000 ( 6232 PWs) bands (ev): -21.0996 -21.0996 -21.0811 -21.0811 -8.7689 -8.7689 -8.7167 -8.7167 -7.8140 -7.8140 -7.7264 -7.7264 -6.0317 -6.0317 -5.8054 -5.8054 -5.7526 -5.7526 -5.6153 -5.6153 2.4410 2.4410 2.6257 2.6257 2.9570 2.9570 3.1551 3.1551 3.1988 3.1988 3.4728 3.4728 4.2037 4.2037 4.3387 4.3387 8.8247 8.8247 9.2503 9.2503 10.4166 10.4166 10.4340 10.4340 k = 0.3265 0.3265-0.0000 ( 6230 PWs) bands (ev): -21.1014 -21.1014 -21.0807 -21.0807 -8.7778 -8.7778 -8.7208 -8.7208 -7.8115 -7.8115 -7.7153 -7.7153 -6.0289 -6.0289 -5.7911 -5.7911 -5.7469 -5.7469 -5.6095 -5.6095 2.4435 2.4435 2.6313 2.6313 2.9445 2.9445 3.1363 3.1363 3.2006 3.2006 3.4815 3.4815 4.1936 4.1936 4.3617 4.3617 8.8251 8.8251 9.2582 9.2582 10.2983 10.2983 10.3364 10.3364 k = 0.3163 0.3163-0.0000 ( 6224 PWs) bands (ev): -21.1033 -21.1033 -21.0804 -21.0804 -8.7863 -8.7863 -8.7245 -8.7245 -7.8093 -7.8093 -7.7044 -7.7044 -6.0259 -6.0259 -5.7796 -5.7796 -5.7382 -5.7382 -5.6040 -5.6040 2.4477 2.4477 2.6358 2.6358 2.9328 2.9328 3.1094 3.1094 3.2101 3.2101 3.4908 3.4908 4.1828 4.1828 4.3868 4.3868 8.8281 8.8281 9.2614 9.2614 10.1824 10.1824 10.2414 10.2414 k = 0.3061 0.3061-0.0000 ( 6222 PWs) bands (ev): -21.1052 -21.1052 -21.0800 -21.0800 -8.7944 -8.7944 -8.7277 -8.7277 -7.8074 -7.8074 -7.6937 -7.6937 -6.0227 -6.0227 -5.7712 -5.7712 -5.7263 -5.7263 -5.5988 -5.5988 2.4538 2.4538 2.6388 2.6388 2.9224 2.9224 3.0800 3.0800 3.2222 3.2222 3.5007 3.5007 4.1714 4.1714 4.4134 4.4134 8.8340 8.8340 9.2602 9.2602 10.0699 10.0699 10.1494 10.1494 k = 0.2959 0.2959-0.0000 ( 6226 PWs) bands (ev): -21.1071 -21.1071 -21.0796 -21.0796 -8.8020 -8.8020 -8.7305 -8.7305 -7.8058 -7.8058 -7.6834 -7.6834 -6.0194 -6.0194 -5.7653 -5.7653 -5.7124 -5.7124 -5.5939 -5.5939 2.4619 2.4619 2.6400 2.6400 2.9138 2.9138 3.0499 3.0499 3.2355 3.2355 3.5112 3.5112 4.1595 4.1595 4.4409 4.4409 8.8433 8.8433 9.2550 9.2550 9.9616 9.9616 10.0608 10.0608 k = 0.2857 0.2857-0.0000 ( 6230 PWs) bands (ev): -21.1091 -21.1091 -21.0793 -21.0793 -8.8091 -8.8091 -8.7326 -8.7326 -7.8045 -7.8045 -7.6733 -7.6733 -6.0159 -6.0159 -5.7607 -5.7607 -5.6976 -5.6976 -5.5892 -5.5892 2.4721 2.4721 2.6392 2.6392 2.9068 2.9068 3.0205 3.0205 3.2495 3.2495 3.5221 3.5221 4.1470 4.1470 4.4685 4.4685 8.8564 8.8564 9.2462 9.2462 9.8582 9.8582 9.9757 9.9757 k = 0.2755 0.2755-0.0000 ( 6234 PWs) bands (ev): -21.1112 -21.1112 -21.0789 -21.0789 -8.8156 -8.8156 -8.7342 -8.7342 -7.8035 -7.8035 -7.6637 -7.6637 -6.0124 -6.0124 -5.7569 -5.7569 -5.6829 -5.6829 -5.5846 -5.5846 2.4845 2.4845 2.6361 2.6361 2.9008 2.9008 2.9936 2.9936 3.2639 3.2639 3.5334 3.5334 4.1340 4.1340 4.4957 4.4957 8.8736 8.8736 9.2342 9.2342 9.7606 9.7606 9.8944 9.8944 k = 0.2653 0.2653-0.0000 ( 6246 PWs) bands (ev): -21.1132 -21.1132 -21.0785 -21.0785 -8.8216 -8.8216 -8.7353 -8.7353 -7.8028 -7.8028 -7.6545 -7.6545 -6.0087 -6.0087 -5.7536 -5.7536 -5.6688 -5.6688 -5.5800 -5.5800 2.4990 2.4990 2.6307 2.6307 2.8942 2.8942 2.9714 2.9714 3.2786 3.2786 3.5451 3.5451 4.1205 4.1205 4.5219 4.5219 8.8951 8.8951 9.2195 9.2195 9.6694 9.6694 9.8173 9.8173 k = 0.2551 0.2551-0.0000 ( 6248 PWs) bands (ev): -21.1153 -21.1153 -21.0781 -21.0781 -8.8270 -8.8270 -8.7357 -8.7357 -7.8023 -7.8023 -7.6458 -7.6458 -6.0048 -6.0048 -5.7508 -5.7508 -5.6556 -5.6556 -5.5752 -5.5752 2.5156 2.5156 2.6230 2.6230 2.8842 2.8842 2.9572 2.9572 3.2934 3.2934 3.5570 3.5570 4.1064 4.1064 4.5464 4.5464 8.9212 8.9212 9.2021 9.2021 9.5857 9.5857 9.7447 9.7447 k = 0.2449 0.2449-0.0000 ( 6244 PWs) bands (ev): -21.1173 -21.1173 -21.0777 -21.0777 -8.8318 -8.8318 -8.7355 -8.7355 -7.8022 -7.8022 -7.6375 -7.6375 -6.0009 -6.0009 -5.7483 -5.7483 -5.6436 -5.6436 -5.5702 -5.5702 2.5343 2.5343 2.6131 2.6131 2.8700 2.8700 2.9524 2.9524 3.3082 3.3082 3.5689 3.5689 4.0918 4.0918 4.5687 4.5687 8.9519 8.9519 9.1822 9.1822 9.5101 9.5101 9.6766 9.6766 k = 0.2347 0.2347-0.0000 ( 6240 PWs) bands (ev): -21.1194 -21.1194 -21.0774 -21.0774 -8.8361 -8.8361 -8.7347 -8.7347 -7.8022 -7.8022 -7.6299 -7.6299 -5.9969 -5.9969 -5.7463 -5.7463 -5.6330 -5.6330 -5.5648 -5.5648 2.5542 2.5542 2.6019 2.6019 2.8539 2.8539 2.9550 2.9550 3.3230 3.3230 3.5807 3.5807 4.0767 4.0767 4.5884 4.5884 8.9871 8.9871 9.1600 9.1600 9.4437 9.4437 9.6134 9.6134 k = 0.2245 0.2245-0.0000 ( 6240 PWs) bands (ev): -21.1215 -21.1215 -21.0770 -21.0770 -8.8397 -8.8397 -8.7333 -8.7333 -7.8024 -7.8024 -7.6228 -7.6228 -5.9928 -5.9928 -5.7448 -5.7448 -5.6239 -5.6239 -5.5591 -5.5591 2.5688 2.5688 2.5959 2.5959 2.8386 2.8386 2.9624 2.9624 3.3375 3.3375 3.5923 3.5923 4.0611 4.0611 4.6051 4.6051 9.0261 9.0261 9.1363 9.1363 9.3872 9.3872 9.5553 9.5553 k = 0.2143 0.2143-0.0000 ( 6248 PWs) bands (ev): -21.1235 -21.1235 -21.0766 -21.0766 -8.8428 -8.8428 -8.7313 -8.7313 -7.8029 -7.8029 -7.6162 -7.6162 -5.9886 -5.9886 -5.7437 -5.7437 -5.6161 -5.6161 -5.5530 -5.5530 2.5610 2.5610 2.6126 2.6126 2.8258 2.8258 2.9729 2.9729 3.3518 3.3518 3.6034 3.6034 4.0450 4.0450 4.6183 4.6183 9.0631 9.0631 9.1174 9.1174 9.3405 9.3405 9.5025 9.5025 k = 0.2041 0.2041-0.0000 ( 6246 PWs) bands (ev): -21.1255 -21.1255 -21.0763 -21.0763 -8.8454 -8.8454 -8.7288 -8.7288 -7.8034 -7.8034 -7.6103 -7.6103 -5.9844 -5.9844 -5.7433 -5.7433 -5.6094 -5.6094 -5.5468 -5.5468 2.5436 2.5436 2.6392 2.6392 2.8163 2.8163 2.9857 2.9857 3.3659 3.3659 3.6139 3.6139 4.0283 4.0283 4.6278 4.6278 9.0647 9.0647 9.1376 9.1376 9.3032 9.3032 9.4551 9.4551 k = 0.1939 0.1939-0.0000 ( 6244 PWs) bands (ev): -21.1275 -21.1275 -21.0759 -21.0759 -8.8475 -8.8475 -8.7258 -8.7258 -7.8041 -7.8041 -7.6050 -7.6050 -5.9801 -5.9801 -5.7434 -5.7434 -5.6035 -5.6035 -5.5408 -5.5408 2.5237 2.5237 2.6691 2.6691 2.8102 2.8102 3.0003 3.0003 3.3795 3.3795 3.6236 3.6236 4.0112 4.0112 4.6333 4.6333 9.0416 9.0416 9.1875 9.1875 9.2740 9.2740 9.4134 9.4134 k = 0.1837 0.1837-0.0000 ( 6250 PWs) bands (ev): -21.1294 -21.1294 -21.0756 -21.0756 -8.8491 -8.8491 -8.7223 -8.7223 -7.8049 -7.8049 -7.6004 -7.6004 -5.9759 -5.9759 -5.7441 -5.7441 -5.5983 -5.5983 -5.5351 -5.5351 2.5025 2.5025 2.7012 2.7012 2.8075 2.8075 3.0165 3.0165 3.3928 3.3928 3.6324 3.6324 3.9937 3.9937 4.6347 4.6347 9.0177 9.0177 9.2372 9.2372 9.2582 9.2582 9.3783 9.3783 k = 0.1735 0.1735-0.0000 ( 6248 PWs) bands (ev): -21.1313 -21.1313 -21.0753 -21.0753 -8.8502 -8.8502 -8.7184 -8.7184 -7.8057 -7.8057 -7.5963 -7.5963 -5.9718 -5.9718 -5.7452 -5.7452 -5.5936 -5.5936 -5.5299 -5.5299 2.4808 2.4808 2.7350 2.7350 2.8081 2.8081 3.0341 3.0341 3.4057 3.4057 3.6401 3.6401 3.9757 3.9757 4.6317 4.6317 8.9975 8.9975 9.2291 9.2291 9.3025 9.3025 9.3560 9.3560 k = 0.1633 0.1633-0.0000 ( 6242 PWs) bands (ev): -21.1331 -21.1331 -21.0750 -21.0750 -8.8510 -8.8510 -8.7142 -8.7142 -7.8065 -7.8065 -7.5929 -7.5929 -5.9677 -5.9677 -5.7469 -5.7469 -5.5891 -5.5891 -5.5254 -5.5254 2.4591 2.4591 2.7698 2.7698 2.8120 2.8120 3.0531 3.0531 3.4180 3.4180 3.6468 3.6468 3.9574 3.9574 4.6243 4.6243 8.9826 8.9826 9.2148 9.2148 9.3082 9.3082 9.3866 9.3866 k = 0.1531 0.1531-0.0000 ( 6242 PWs) bands (ev): -21.1348 -21.1348 -21.0747 -21.0747 -8.8513 -8.8513 -8.7097 -8.7097 -7.8073 -7.8073 -7.5900 -7.5900 -5.9637 -5.9637 -5.7488 -5.7488 -5.5848 -5.5848 -5.5216 -5.5216 2.4376 2.4376 2.8026 2.8026 2.8214 2.8214 3.0735 3.0735 3.4299 3.4299 3.6523 3.6523 3.9389 3.9389 4.6126 4.6126 8.9739 8.9739 9.2030 9.2030 9.2877 9.2877 9.3497 9.3497 k = 0.1429 0.1429-0.0000 ( 6240 PWs) bands (ev): -21.1365 -21.1365 -21.0744 -21.0744 -8.8514 -8.8514 -8.7049 -8.7049 -7.8081 -7.8081 -7.5877 -7.5877 -5.9599 -5.9599 -5.7511 -5.7511 -5.5807 -5.5807 -5.5186 -5.5186 2.4169 2.4169 2.8209 2.8209 2.8480 2.8480 3.0954 3.0954 3.4413 3.4413 3.6567 3.6567 3.9201 3.9201 4.5965 4.5965 8.9720 8.9720 9.1936 9.1936 9.2537 9.2537 9.3023 9.3023 k = 0.1327 0.1327-0.0000 ( 6247 PWs) bands (ev): -21.1381 -21.1381 -21.0741 -21.0741 -8.8512 -8.8512 -8.7000 -8.7000 -7.8089 -7.8089 -7.5860 -7.5860 -5.9563 -5.9563 -5.7535 -5.7535 -5.5767 -5.5767 -5.5164 -5.5164 2.3970 2.3970 2.8324 2.8324 2.8831 2.8831 3.1188 3.1188 3.4523 3.4523 3.6602 3.6602 3.9012 3.9012 4.5761 4.5761 8.9769 8.9769 9.1847 9.1847 9.1997 9.1997 9.2844 9.2844 k = 0.1224 0.1224-0.0000 ( 6235 PWs) bands (ev): -21.1396 -21.1396 -21.0739 -21.0739 -8.8508 -8.8508 -8.6950 -8.6950 -7.8096 -7.8096 -7.5847 -7.5847 -5.9530 -5.9530 -5.7559 -5.7559 -5.5728 -5.5728 -5.5148 -5.5148 2.3781 2.3781 2.8446 2.8446 2.9183 2.9183 3.1439 3.1439 3.4630 3.4630 3.6629 3.6629 3.8823 3.8823 4.5517 4.5517 8.9883 8.9883 9.1378 9.1378 9.1825 9.1825 9.2789 9.2789 k = 0.1122 0.1122-0.0000 ( 6247 PWs) bands (ev): -21.1410 -21.1410 -21.0736 -21.0736 -8.8502 -8.8502 -8.6900 -8.6900 -7.8102 -7.8102 -7.5839 -7.5839 -5.9499 -5.9499 -5.7583 -5.7583 -5.5692 -5.5692 -5.5139 -5.5139 2.3605 2.3605 2.8581 2.8581 2.9520 2.9520 3.1704 3.1704 3.4737 3.4737 3.6650 3.6650 3.8636 3.8636 4.5234 4.5234 9.0050 9.0050 9.0823 9.0823 9.1794 9.1794 9.2801 9.2801 k = 0.1020 0.1020-0.0000 ( 6249 PWs) bands (ev): -21.1423 -21.1423 -21.0734 -21.0734 -8.8495 -8.8495 -8.6851 -8.6851 -7.8108 -7.8108 -7.5834 -7.5834 -5.9472 -5.9472 -5.7606 -5.7606 -5.5657 -5.5657 -5.5135 -5.5135 2.3442 2.3442 2.8726 2.8726 2.9834 2.9834 3.1980 3.1980 3.4847 3.4847 3.6670 3.6670 3.8452 3.8452 4.4915 4.4915 9.0152 9.0152 9.0419 9.0419 9.1790 9.1790 9.2866 9.2866 k = 0.0918 0.0918-0.0000 ( 6243 PWs) bands (ev): -21.1435 -21.1435 -21.0732 -21.0732 -8.8486 -8.8486 -8.6803 -8.6803 -7.8112 -7.8112 -7.5833 -7.5833 -5.9447 -5.9447 -5.7626 -5.7626 -5.5625 -5.5625 -5.5136 -5.5136 2.3293 2.3293 2.8880 2.8880 3.0118 3.0118 3.2257 3.2257 3.4967 3.4967 3.6693 3.6693 3.8273 3.8273 4.4564 4.4564 8.9759 8.9759 9.0583 9.0583 9.1822 9.1822 9.2979 9.2979 k = 0.0816 0.0816-0.0000 ( 6237 PWs) bands (ev): -21.1446 -21.1446 -21.0730 -21.0730 -8.8478 -8.8478 -8.6758 -8.6758 -7.8116 -7.8116 -7.5835 -7.5835 -5.9426 -5.9426 -5.7644 -5.7644 -5.5596 -5.5596 -5.5140 -5.5140 2.3158 2.3158 2.9040 2.9040 3.0370 3.0370 3.2522 3.2522 3.5104 3.5104 3.6724 3.6724 3.8101 3.8101 4.4185 4.4185 8.9326 8.9326 9.0830 9.0830 9.1911 9.1911 9.3135 9.3135 k = 0.0714 0.0714-0.0000 ( 6227 PWs) bands (ev): -21.1455 -21.1455 -21.0729 -21.0729 -8.8469 -8.8469 -8.6716 -8.6716 -7.8119 -7.8119 -7.5839 -7.5839 -5.9408 -5.9408 -5.7660 -5.7660 -5.5570 -5.5570 -5.5147 -5.5147 2.3039 2.3039 2.9201 2.9201 3.0588 3.0588 3.2758 3.2758 3.5263 3.5263 3.6771 3.6771 3.7940 3.7940 4.3785 4.3785 8.8934 8.8934 9.1038 9.1038 9.2083 9.2083 9.3328 9.3328 k = 0.0612 0.0612-0.0000 ( 6227 PWs) bands (ev): -21.1464 -21.1464 -21.0727 -21.0727 -8.8461 -8.8461 -8.6678 -8.6678 -7.8121 -7.8121 -7.5843 -7.5843 -5.9393 -5.9393 -5.7672 -5.7672 -5.5548 -5.5548 -5.5155 -5.5155 2.2934 2.2934 2.9360 2.9360 3.0772 3.0772 3.2951 3.2951 3.5441 3.5441 3.6844 3.6844 3.7790 3.7790 4.3370 4.3370 8.8590 8.8590 9.1176 9.1176 9.2345 9.2345 9.3554 9.3554 k = 0.0510 0.0510-0.0000 ( 6231 PWs) bands (ev): -21.1471 -21.1471 -21.0726 -21.0726 -8.8453 -8.8453 -8.6645 -8.6645 -7.8123 -7.8123 -7.5849 -7.5849 -5.9381 -5.9381 -5.7682 -5.7682 -5.5529 -5.5529 -5.5163 -5.5163 2.2846 2.2846 2.9511 2.9511 3.0924 3.0924 3.3095 3.3095 3.5625 3.5625 3.6955 3.6955 3.7656 3.7656 4.2951 4.2951 8.8296 8.8296 9.1256 9.1256 9.2660 9.2660 9.3803 9.3803 k = 0.0408 0.0408-0.0000 ( 6235 PWs) bands (ev): -21.1477 -21.1477 -21.0725 -21.0725 -8.8447 -8.8447 -8.6616 -8.6616 -7.8124 -7.8124 -7.5854 -7.5854 -5.9372 -5.9372 -5.7689 -5.7689 -5.5514 -5.5514 -5.5171 -5.5171 2.2773 2.2773 2.9648 2.9648 3.1044 3.1044 3.3194 3.3194 3.5790 3.5790 3.7111 3.7111 3.7541 3.7541 4.2542 4.2542 8.8053 8.8053 9.1301 9.1301 9.2979 9.2979 9.4064 9.4064 k = 0.0306 0.0306-0.0000 ( 6231 PWs) bands (ev): -21.1481 -21.1481 -21.0725 -21.0725 -8.8441 -8.8441 -8.6594 -8.6594 -7.8124 -7.8124 -7.5859 -7.5859 -5.9366 -5.9366 -5.7695 -5.7695 -5.5503 -5.5503 -5.5177 -5.5177 2.2717 2.2717 2.9766 2.9766 3.1133 3.1133 3.3255 3.3255 3.5917 3.5917 3.7303 3.7303 3.7451 3.7451 4.2163 4.2163 8.7864 8.7864 9.1327 9.1327 9.3259 9.3259 9.4317 9.4317 k = 0.0204 0.0204-0.0000 ( 6227 PWs) bands (ev): -21.1485 -21.1485 -21.0724 -21.0724 -8.8437 -8.8437 -8.6577 -8.6577 -7.8125 -7.8125 -7.5863 -7.5863 -5.9361 -5.9361 -5.7698 -5.7698 -5.5495 -5.5495 -5.5182 -5.5182 2.2676 2.2676 2.9857 2.9857 3.1194 3.1194 3.3291 3.3291 3.6001 3.6001 3.7369 3.7369 3.7516 3.7516 4.1845 4.1845 8.7727 8.7727 9.1342 9.1342 9.3474 9.3474 9.4534 9.4534 k = 0.0102 0.0102-0.0000 ( 6219 PWs) bands (ev): -21.1487 -21.1487 -21.0724 -21.0724 -8.8435 -8.8435 -8.6567 -8.6567 -7.8125 -7.8125 -7.5866 -7.5866 -5.9358 -5.9358 -5.7700 -5.7700 -5.5491 -5.5491 -5.5184 -5.5184 2.2652 2.2652 2.9914 2.9914 3.1229 3.1229 3.3308 3.3308 3.6047 3.6047 3.7330 3.7330 3.7668 3.7668 4.1626 4.1626 8.7646 8.7646 9.1350 9.1350 9.3609 9.3609 9.4681 9.4681 k = 0.0000 0.0000 0.0000 ( 6211 PWs) bands (ev): -21.1487 -21.1487 -21.0724 -21.0724 -8.8434 -8.8434 -8.6564 -8.6564 -7.8125 -7.8125 -7.5866 -7.5866 -5.9358 -5.9358 -5.7701 -5.7701 -5.5489 -5.5489 -5.5185 -5.5185 2.2644 2.2644 2.9934 2.9934 3.1240 3.1240 3.3314 3.3314 3.6062 3.6062 3.7316 3.7316 3.7727 3.7727 4.1548 4.1548 8.7618 8.7618 9.1353 9.1353 9.3655 9.3655 9.4734 9.4734 k = 0.0000 0.0000 0.0000 ( 6211 PWs) bands (ev): -21.1487 -21.1487 -21.0724 -21.0724 -8.8434 -8.8434 -8.6564 -8.6564 -7.8125 -7.8125 -7.5866 -7.5866 -5.9358 -5.9358 -5.7701 -5.7701 -5.5489 -5.5489 -5.5185 -5.5185 2.2644 2.2644 2.9934 2.9934 3.1240 3.1240 3.3314 3.3314 3.6062 3.6062 3.7316 3.7316 3.7727 3.7727 4.1548 4.1548 8.7618 8.7618 9.1353 9.1353 9.3655 9.3655 9.4734 9.4734 k = 0.0000 0.0000 0.0140 ( 6211 PWs) bands (ev): -21.1487 -21.1487 -21.0724 -21.0724 -8.8439 -8.8439 -8.6561 -8.6561 -7.8127 -7.8127 -7.5864 -7.5864 -5.9358 -5.9358 -5.7700 -5.7700 -5.5486 -5.5486 -5.5186 -5.5186 2.2639 2.2639 2.9916 2.9916 3.1224 3.1224 3.3310 3.3310 3.6007 3.6007 3.7316 3.7316 3.7731 3.7731 4.1637 4.1637 8.7595 8.7595 9.1358 9.1358 9.3661 9.3661 9.4739 9.4739 k = 0.0000 0.0000 0.0279 ( 6207 PWs) bands (ev): -21.1487 -21.1487 -21.0724 -21.0724 -8.8453 -8.8453 -8.6550 -8.6550 -7.8131 -7.8131 -7.5856 -7.5856 -5.9358 -5.9358 -5.7699 -5.7699 -5.5476 -5.5476 -5.5187 -5.5187 2.2625 2.2625 2.9860 2.9860 3.1175 3.1175 3.3299 3.3299 3.5859 3.5859 3.7318 3.7318 3.7742 3.7742 4.1890 4.1890 8.7526 8.7526 9.1374 9.1374 9.3680 9.3680 9.4756 9.4756 k = 0.0000 0.0000 0.0419 ( 6239 PWs) bands (ev): -21.1487 -21.1487 -21.0724 -21.0724 -8.8477 -8.8477 -8.6533 -8.6533 -7.8139 -7.8139 -7.5842 -7.5842 -5.9359 -5.9359 -5.7697 -5.7697 -5.5458 -5.5458 -5.5189 -5.5189 2.2601 2.2601 2.9761 2.9761 3.1098 3.1098 3.3281 3.3281 3.5653 3.5653 3.7321 3.7321 3.7761 3.7761 4.2272 4.2272 8.7415 8.7415 9.1396 9.1396 9.3710 9.3710 9.4783 9.4783 k = 0.0000 0.0000 0.0559 ( 6243 PWs) bands (ev): -21.1486 -21.1486 -21.0725 -21.0725 -8.8509 -8.8509 -8.6511 -8.6511 -7.8149 -7.8149 -7.5824 -7.5824 -5.9359 -5.9359 -5.7694 -5.7694 -5.5435 -5.5435 -5.5192 -5.5192 2.2570 2.2570 2.9613 2.9613 3.0998 3.0998 3.3257 3.3257 3.5426 3.5426 3.7325 3.7325 3.7786 3.7786 4.2747 4.2747 8.7265 8.7265 9.1422 9.1422 9.3753 9.3753 9.4821 9.4821 k = 0.0000 0.0000 0.0698 ( 6239 PWs) bands (ev): -21.1486 -21.1486 -21.0725 -21.0725 -8.8547 -8.8547 -8.6485 -8.6485 -7.8162 -7.8162 -7.5802 -7.5802 -5.9360 -5.9360 -5.7691 -5.7691 -5.5406 -5.5406 -5.5196 -5.5196 2.2533 2.2533 2.9407 2.9407 3.0884 3.0884 3.3228 3.3228 3.5209 3.5209 3.7329 3.7329 3.7818 3.7818 4.3282 4.3282 8.7084 8.7084 9.1445 9.1445 9.3806 9.3806 9.4869 9.4869 k = 0.0000 0.0000 0.0838 ( 6239 PWs) bands (ev): -21.1485 -21.1485 -21.0726 -21.0726 -8.8591 -8.8591 -8.6455 -8.6455 -7.8176 -7.8176 -7.5776 -7.5776 -5.9361 -5.9361 -5.7687 -5.7687 -5.5372 -5.5372 -5.5200 -5.5200 2.2490 2.2490 2.9140 2.9140 3.0768 3.0768 3.3193 3.3193 3.5019 3.5019 3.7335 3.7335 3.7854 3.7854 4.3852 4.3852 8.6877 8.6877 9.1459 9.1459 9.3869 9.3869 9.4926 9.4926 k = 0.0000 0.0000 0.0978 ( 6231 PWs) bands (ev): -21.1484 -21.1484 -21.0727 -21.0727 -8.8639 -8.8639 -8.6423 -8.6423 -7.8191 -7.8191 -7.5747 -7.5747 -5.9362 -5.9362 -5.7682 -5.7682 -5.5333 -5.5333 -5.5205 -5.5205 2.2445 2.2445 2.8812 2.8812 3.0656 3.0656 3.3155 3.3155 3.4865 3.4865 3.7342 3.7342 3.7895 3.7895 4.4438 4.4438 8.6651 8.6651 9.1460 9.1460 9.3942 9.3942 9.4991 9.4991 k = 0.0000 0.0000 0.1117 ( 6247 PWs) bands (ev): -21.1483 -21.1483 -21.0728 -21.0728 -8.8690 -8.8690 -8.6390 -8.6390 -7.8208 -7.8208 -7.5716 -7.5716 -5.9362 -5.9362 -5.7677 -5.7677 -5.5290 -5.5290 -5.5210 -5.5210 2.2398 2.2398 2.8433 2.8433 3.0553 3.0553 3.3113 3.3113 3.4748 3.4748 3.7349 3.7349 3.7939 3.7939 4.5028 4.5028 8.6413 8.6413 9.1443 9.1443 9.4022 9.4022 9.5064 9.5064 k = 0.0000 0.0000 0.1257 ( 6264 PWs) bands (ev): -21.1482 -21.1482 -21.0729 -21.0729 -8.8742 -8.8742 -8.6357 -8.6357 -7.8224 -7.8224 -7.5684 -7.5684 -5.9363 -5.9363 -5.7672 -5.7672 -5.5245 -5.5245 -5.5216 -5.5216 2.2354 2.2354 2.8014 2.8014 3.0459 3.0459 3.3070 3.3070 3.4662 3.4662 3.7356 3.7356 3.7985 3.7985 4.5609 4.5609 8.6168 8.6168 9.1404 9.1404 9.4109 9.4109 9.5143 9.5143 k = 0.0000 0.0000 0.1396 ( 6268 PWs) bands (ev): -21.1481 -21.1481 -21.0730 -21.0730 -8.8794 -8.8794 -8.6324 -8.6324 -7.8240 -7.8240 -7.5651 -7.5651 -5.9363 -5.9363 -5.7666 -5.7666 -5.5222 -5.5222 -5.5199 -5.5199 2.2313 2.2313 2.7570 2.7570 3.0374 3.0374 3.3025 3.3025 3.4604 3.4604 3.7364 3.7364 3.8032 3.8032 4.6175 4.6175 8.5922 8.5922 9.1345 9.1345 9.4201 9.4201 9.5227 9.5227 k = 0.0000 0.0000 0.1536 ( 6268 PWs) bands (ev): -21.1480 -21.1480 -21.0731 -21.0731 -8.8846 -8.8846 -8.6293 -8.6293 -7.8256 -7.8256 -7.5619 -7.5619 -5.9363 -5.9363 -5.7661 -5.7661 -5.5228 -5.5228 -5.5151 -5.5151 2.2280 2.2280 2.7113 2.7113 3.0297 3.0297 3.2981 3.2981 3.4566 3.4566 3.7372 3.7372 3.8079 3.8079 4.6717 4.6717 8.5681 8.5681 9.1265 9.1265 9.4296 9.4296 9.5314 9.5314 k = 0.0000 0.0000 0.1676 ( 6268 PWs) bands (ev): -21.1479 -21.1479 -21.0732 -21.0732 -8.8896 -8.8896 -8.6264 -8.6264 -7.8271 -7.8271 -7.5586 -7.5586 -5.9363 -5.9363 -5.7655 -5.7655 -5.5235 -5.5235 -5.5104 -5.5104 2.2256 2.2256 2.6652 2.6652 3.0227 3.0227 3.2938 3.2938 3.4545 3.4545 3.7380 3.7380 3.8125 3.8125 4.7229 4.7229 8.5448 8.5448 9.1169 9.1169 9.4392 9.4392 9.5403 9.5403 k = 0.0000 0.0000 0.1815 ( 6280 PWs) bands (ev): -21.1478 -21.1478 -21.0733 -21.0733 -8.8944 -8.8944 -8.6236 -8.6236 -7.8285 -7.8285 -7.5556 -7.5556 -5.9362 -5.9362 -5.7649 -5.7649 -5.5241 -5.5241 -5.5057 -5.5057 2.2244 2.2244 2.6198 2.6198 3.0164 3.0164 3.2896 3.2896 3.4535 3.4535 3.7387 3.7387 3.8169 3.8169 4.7707 4.7707 8.5227 8.5227 9.1060 9.1060 9.4488 9.4488 9.5491 9.5491 k = 0.0000 0.0000 0.1955 ( 6264 PWs) bands (ev): -21.1477 -21.1477 -21.0734 -21.0734 -8.8988 -8.8988 -8.6211 -8.6211 -7.8298 -7.8298 -7.5527 -7.5527 -5.9362 -5.9362 -5.7644 -5.7644 -5.5247 -5.5247 -5.5013 -5.5013 2.2248 2.2248 2.5755 2.5755 3.0107 3.0107 3.2856 3.2856 3.4534 3.4534 3.7395 3.7395 3.8211 3.8211 4.8146 4.8146 8.5021 8.5021 9.0945 9.0945 9.4581 9.4581 9.5578 9.5578 k = 0.0000 0.0000 0.2095 ( 6260 PWs) bands (ev): -21.1476 -21.1476 -21.0734 -21.0734 -8.9029 -8.9029 -8.6189 -8.6189 -7.8309 -7.8309 -7.5500 -7.5500 -5.9361 -5.9361 -5.7639 -5.7639 -5.5252 -5.5252 -5.4972 -5.4972 2.2268 2.2268 2.5330 2.5330 3.0057 3.0057 3.2820 3.2820 3.4538 3.4538 3.7402 3.7402 3.8250 3.8250 4.8543 4.8543 8.4835 8.4835 9.0828 9.0828 9.4669 9.4669 9.5660 9.5660 k = 0.0000 0.0000 0.2234 ( 6260 PWs) bands (ev): -21.1475 -21.1475 -21.0735 -21.0735 -8.9065 -8.9065 -8.6170 -8.6170 -7.8319 -7.8319 -7.5476 -7.5476 -5.9360 -5.9360 -5.7634 -5.7634 -5.5257 -5.5257 -5.4934 -5.4934 2.2309 2.2309 2.4927 2.4927 3.0012 3.0012 3.2787 3.2787 3.4545 3.4545 3.7408 3.7408 3.8285 3.8285 4.8893 4.8893 8.4668 8.4668 9.0715 9.0715 9.4751 9.4751 9.5736 9.5736 k = 0.0000 0.0000 0.2374 ( 6256 PWs) bands (ev): -21.1475 -21.1475 -21.0736 -21.0736 -8.9097 -8.9097 -8.6153 -8.6153 -7.8328 -7.8328 -7.5455 -7.5455 -5.9359 -5.9359 -5.7630 -5.7630 -5.5262 -5.5262 -5.4901 -5.4901 2.2371 2.2371 2.4549 2.4549 2.9975 2.9975 3.2759 3.2759 3.4553 3.4553 3.7414 3.7414 3.8315 3.8315 4.9194 4.9194 8.4524 8.4524 9.0611 9.0611 9.4824 9.4824 9.5805 9.5805 k = 0.0000 0.0000 0.2514 ( 6252 PWs) bands (ev): -21.1474 -21.1474 -21.0737 -21.0737 -8.9123 -8.9123 -8.6140 -8.6140 -7.8335 -7.8335 -7.5438 -7.5438 -5.9358 -5.9358 -5.7626 -5.7626 -5.5266 -5.5266 -5.4873 -5.4873 2.2458 2.2458 2.4199 2.4199 2.9944 2.9944 3.2735 3.2735 3.4562 3.4562 3.7419 3.7419 3.8341 3.8341 4.9443 4.9443 8.4405 8.4405 9.0520 9.0520 9.4887 9.4887 9.5863 9.5863 k = 0.0000 0.0000 0.2653 ( 6248 PWs) bands (ev): -21.1474 -21.1474 -21.0737 -21.0737 -8.9144 -8.9144 -8.6129 -8.6129 -7.8340 -7.8340 -7.5424 -7.5424 -5.9357 -5.9357 -5.7623 -5.7623 -5.5269 -5.5269 -5.4850 -5.4850 2.2570 2.2570 2.3878 2.3878 2.9919 2.9919 3.2716 3.2716 3.4569 3.4569 3.7423 3.7423 3.8361 3.8361 4.9639 4.9639 8.4310 8.4310 9.0445 9.0445 9.4937 9.4937 9.5911 9.5911 k = 0.0000 0.0000 0.2793 ( 6232 PWs) bands (ev): -21.1473 -21.1473 -21.0737 -21.0737 -8.9159 -8.9159 -8.6122 -8.6122 -7.8344 -7.8344 -7.5414 -7.5414 -5.9357 -5.9357 -5.7621 -5.7621 -5.5271 -5.5271 -5.4834 -5.4834 2.2708 2.2708 2.3588 2.3588 2.9902 2.9902 3.2702 3.2702 3.4575 3.4575 3.7426 3.7426 3.8376 3.8376 4.9781 4.9781 8.4242 8.4242 9.0390 9.0390 9.4974 9.4974 9.5945 9.5945 k = 0.0000 0.0000 0.2933 ( 6240 PWs) bands (ev): -21.1473 -21.1473 -21.0738 -21.0738 -8.9168 -8.9168 -8.6117 -8.6117 -7.8346 -7.8346 -7.5408 -7.5408 -5.9356 -5.9356 -5.7620 -5.7620 -5.5272 -5.5272 -5.4824 -5.4824 2.2870 2.2870 2.3335 2.3335 2.9891 2.9891 3.2694 3.2694 3.4579 3.4579 3.7427 3.7427 3.8385 3.8385 4.9866 4.9866 8.4201 8.4201 9.0356 9.0356 9.4997 9.4997 9.5967 9.5967 k = 0.0000 0.0000 0.3072 ( 6232 PWs) bands (ev): -21.1473 -21.1473 -21.0738 -21.0738 -8.9171 -8.9171 -8.6116 -8.6116 -7.8347 -7.8347 -7.5405 -7.5405 -5.9356 -5.9356 -5.7619 -5.7619 -5.5273 -5.5273 -5.4821 -5.4821 2.3000 2.3000 2.3174 2.3174 2.9888 2.9888 3.2691 3.2691 3.4580 3.4580 3.7428 3.7428 3.8388 3.8388 4.9894 4.9894 8.4187 8.4187 9.0344 9.0344 9.5004 9.5004 9.5974 9.5974 k = 0.0000 0.0000 0.3072 ( 6232 PWs) bands (ev): -21.1473 -21.1473 -21.0738 -21.0738 -8.9171 -8.9171 -8.6116 -8.6116 -7.8347 -7.8347 -7.5405 -7.5405 -5.9356 -5.9356 -5.7619 -5.7619 -5.5273 -5.5273 -5.4821 -5.4821 2.3000 2.3000 2.3174 2.3174 2.9888 2.9888 3.2691 3.2691 3.4580 3.4580 3.7428 3.7428 3.8388 3.8388 4.9894 4.9894 8.4187 8.4187 9.0344 9.0344 9.5004 9.5004 9.5974 9.5974 k = 0.0000 0.0143 0.3072 ( 6240 PWs) bands (ev): -21.1472 -21.1472 -21.0738 -21.0738 -8.9172 -8.9172 -8.6119 -8.6119 -7.8346 -7.8346 -7.5405 -7.5405 -5.9356 -5.9356 -5.7619 -5.7619 -5.5272 -5.5272 -5.4823 -5.4823 2.2966 2.2966 2.3198 2.3198 2.9897 2.9897 3.2693 3.2693 3.4562 3.4562 3.7425 3.7425 3.8391 3.8391 4.9888 4.9888 8.4219 8.4219 9.0348 9.0348 9.5004 9.5004 9.5971 9.5971 k = 0.0000 0.0286 0.3072 ( 6244 PWs) bands (ev): -21.1470 -21.1470 -21.0738 -21.0738 -8.9174 -8.9174 -8.6131 -8.6131 -7.8343 -7.8343 -7.5402 -7.5402 -5.9355 -5.9355 -5.7617 -5.7617 -5.5272 -5.5272 -5.4829 -5.4829 2.2885 2.2885 2.3246 2.3246 2.9922 2.9922 3.2700 3.2700 3.4510 3.4510 3.7414 3.7414 3.8405 3.8405 4.9868 4.9868 8.4312 8.4312 9.0358 9.0358 9.4998 9.4998 9.5970 9.5970 k = 0.0000 0.0429 0.3072 ( 6242 PWs) bands (ev): -21.1467 -21.1467 -21.0739 -21.0739 -8.9179 -8.9179 -8.6150 -8.6150 -7.8338 -7.8338 -7.5398 -7.5398 -5.9354 -5.9354 -5.7615 -5.7615 -5.5271 -5.5271 -5.4840 -5.4840 2.2776 2.2776 2.3303 2.3303 2.9962 2.9962 3.2711 3.2711 3.4424 3.4424 3.7387 3.7387 3.8435 3.8435 4.9835 4.9835 8.4468 8.4468 9.0373 9.0373 9.4975 9.4975 9.5992 9.5992 k = 0.0000 0.0571 0.3072 ( 6230 PWs) bands (ev): -21.1463 -21.1463 -21.0739 -21.0739 -8.9185 -8.9185 -8.6177 -8.6177 -7.8330 -7.8330 -7.5393 -7.5393 -5.9352 -5.9352 -5.7611 -5.7611 -5.5270 -5.5270 -5.4855 -5.4855 2.2644 2.2644 2.3366 2.3366 3.0014 3.0014 3.2724 3.2724 3.4309 3.4309 3.7337 3.7337 3.8489 3.8489 4.9789 4.9789 8.4685 8.4685 9.0388 9.0388 9.4918 9.4918 9.6064 9.6064 k = 0.0000 0.0714 0.3072 ( 6240 PWs) bands (ev): -21.1457 -21.1457 -21.0740 -21.0740 -8.9193 -8.9193 -8.6211 -8.6211 -7.8321 -7.8321 -7.5387 -7.5387 -5.9349 -5.9349 -5.7606 -5.7606 -5.5269 -5.5269 -5.4874 -5.4874 2.2492 2.2492 2.3435 2.3435 3.0074 3.0074 3.2737 3.2737 3.4170 3.4170 3.7259 3.7259 3.8572 3.8572 4.9730 4.9730 8.4962 8.4962 9.0403 9.0403 9.4821 9.4821 9.6208 9.6208 k = 0.0000 0.0857 0.3072 ( 6240 PWs) bands (ev): -21.1450 -21.1450 -21.0741 -21.0741 -8.9202 -8.9202 -8.6253 -8.6253 -7.8308 -7.8308 -7.5380 -7.5380 -5.9345 -5.9345 -5.7600 -5.7600 -5.5267 -5.5267 -5.4898 -5.4898 2.2320 2.2320 2.3512 2.3512 3.0137 3.0137 3.2743 3.2743 3.4016 3.4016 3.7152 3.7152 3.8686 3.8686 4.9658 4.9658 8.5297 8.5297 9.0414 9.0414 9.4686 9.4686 9.6431 9.6431 k = 0.0000 0.1000 0.3072 ( 6238 PWs) bands (ev): -21.1442 -21.1442 -21.0742 -21.0742 -8.9212 -8.9212 -8.6302 -8.6302 -7.8292 -7.8292 -7.5372 -7.5372 -5.9340 -5.9340 -5.7592 -5.7592 -5.5267 -5.5267 -5.4925 -5.4925 2.2134 2.2134 2.3596 2.3596 3.0201 3.0201 3.2730 3.2730 3.3861 3.3861 3.7018 3.7018 3.8827 3.8827 4.9574 4.9574 8.5690 8.5690 9.0424 9.0424 9.4527 9.4527 9.6731 9.6731 k = 0.0000 0.1143 0.3072 ( 6242 PWs) bands (ev): -21.1433 -21.1433 -21.0744 -21.0744 -8.9224 -8.9224 -8.6358 -8.6358 -7.8272 -7.8272 -7.5365 -7.5365 -5.9334 -5.9334 -5.7583 -5.7583 -5.5266 -5.5266 -5.4957 -5.4957 2.1935 2.1935 2.3688 2.3688 3.0261 3.0261 3.2677 3.2677 3.3729 3.3729 3.6862 3.6862 3.8994 3.8994 4.9478 4.9478 8.6137 8.6137 9.0434 9.0434 9.4356 9.4356 9.7103 9.7103 k = 0.0000 0.1286 0.3072 ( 6244 PWs) bands (ev): -21.1422 -21.1422 -21.0746 -21.0746 -8.9236 -8.9236 -8.6421 -8.6421 -7.8249 -7.8249 -7.5358 -7.5358 -5.9325 -5.9325 -5.7573 -5.7573 -5.5267 -5.5267 -5.4993 -5.4993 2.1728 2.1728 2.3787 2.3787 3.0316 3.0316 3.2562 3.2562 3.3643 3.3643 3.6689 3.6689 3.9182 3.9182 4.9370 4.9370 8.6638 8.6638 9.0450 9.0450 9.4184 9.4184 9.7538 9.7538 k = 0.0000 0.1429 0.3072 ( 6236 PWs) bands (ev): -21.1411 -21.1411 -21.0748 -21.0748 -8.9250 -8.9250 -8.6491 -8.6491 -7.8222 -7.8222 -7.5353 -7.5353 -5.9315 -5.9315 -5.7561 -5.7561 -5.5268 -5.5268 -5.5033 -5.5033 2.1515 2.1515 2.3891 2.3891 3.0363 3.0363 3.2375 3.2375 3.3615 3.3615 3.6503 3.6503 3.9388 3.9388 4.9252 4.9252 8.7190 8.7190 9.0476 9.0476 9.4019 9.4019 9.8030 9.8030 k = 0.0000 0.1571 0.3072 ( 6244 PWs) bands (ev): -21.1399 -21.1399 -21.0750 -21.0750 -8.9263 -8.9263 -8.6567 -8.6567 -7.8190 -7.8190 -7.5348 -7.5348 -5.9302 -5.9302 -5.7548 -5.7548 -5.5271 -5.5271 -5.5076 -5.5076 2.1300 2.1300 2.3999 2.3999 3.0402 3.0402 3.2128 3.2128 3.3632 3.3632 3.6310 3.6310 3.9609 3.9609 4.9123 4.9123 8.7791 8.7791 9.0519 9.0519 9.3867 9.3867 9.8568 9.8568 k = 0.0000 0.1714 0.3072 ( 6252 PWs) bands (ev): -21.1385 -21.1385 -21.0753 -21.0753 -8.9277 -8.9277 -8.6649 -8.6649 -7.8153 -7.8153 -7.5346 -7.5346 -5.9287 -5.9287 -5.7533 -5.7533 -5.5275 -5.5275 -5.5124 -5.5124 2.1087 2.1087 2.4108 2.4108 3.0431 3.0431 3.1841 3.1841 3.3676 3.3676 3.6113 3.6113 3.9842 3.9842 4.8983 4.8983 8.8437 8.8437 9.0584 9.0584 9.3734 9.3734 9.9143 9.9143 k = 0.0000 0.1857 0.3072 ( 6234 PWs) bands (ev): -21.1371 -21.1371 -21.0756 -21.0756 -8.9290 -8.9290 -8.6736 -8.6736 -7.8112 -7.8112 -7.5345 -7.5345 -5.9268 -5.9268 -5.7517 -5.7517 -5.5280 -5.5280 -5.5175 -5.5175 2.0877 2.0877 2.4216 2.4216 3.0451 3.0451 3.1532 3.1532 3.3731 3.3731 3.5918 3.5918 4.0085 4.0085 4.8835 4.8835 8.9125 8.9125 9.0679 9.0679 9.3625 9.3625 9.9745 9.9745 k = 0.0000 0.2000 0.3072 ( 6238 PWs) bands (ev): -21.1356 -21.1356 -21.0760 -21.0760 -8.9303 -8.9303 -8.6828 -8.6828 -7.8066 -7.8066 -7.5347 -7.5347 -5.9246 -5.9246 -5.7499 -5.7499 -5.5288 -5.5288 -5.5229 -5.5229 2.0674 2.0674 2.4318 2.4318 3.0456 3.0456 3.1218 3.1218 3.3782 3.3782 3.5729 3.5729 4.0335 4.0335 4.8679 4.8679 8.9848 8.9848 9.0811 9.0811 9.3541 9.3541 10.0364 10.0364 k = 0.0000 0.2143 0.3072 ( 6246 PWs) bands (ev): -21.1340 -21.1340 -21.0764 -21.0764 -8.9316 -8.9316 -8.6925 -8.6925 -7.8014 -7.8014 -7.5353 -7.5353 -5.9221 -5.9221 -5.7480 -5.7480 -5.5299 -5.5299 -5.5286 -5.5286 2.0479 2.0479 2.4411 2.4411 3.0432 3.0432 3.0928 3.0928 3.3819 3.3819 3.5555 3.5555 4.0591 4.0591 4.8515 4.8515 9.0578 9.0578 9.1008 9.1008 9.3488 9.3488 10.0989 10.0989 k = 0.0000 0.2286 0.3072 ( 6246 PWs) bands (ev): -21.1323 -21.1323 -21.0768 -21.0768 -8.9327 -8.9327 -8.7026 -8.7026 -7.7958 -7.7958 -7.5361 -7.5361 -5.9192 -5.9192 -5.7461 -5.7461 -5.5347 -5.5347 -5.5309 -5.5309 2.0295 2.0295 2.4488 2.4488 3.0323 3.0323 3.0727 3.0727 3.3829 3.3829 3.5403 3.5403 4.0851 4.0851 4.8345 4.8345 9.1070 9.1070 9.1515 9.1515 9.3468 9.3468 10.1611 10.1611 k = 0.0000 0.2429 0.3072 ( 6242 PWs) bands (ev): -21.1306 -21.1306 -21.0773 -21.0773 -8.9336 -8.9336 -8.7130 -8.7130 -7.7898 -7.7898 -7.5373 -7.5373 -5.9158 -5.9158 -5.7441 -5.7441 -5.5409 -5.5409 -5.5323 -5.5323 2.0125 2.0125 2.4543 2.4543 3.0100 3.0100 3.0658 3.0658 3.3802 3.3802 3.5280 3.5280 4.1112 4.1112 4.8170 4.8170 9.1340 9.1340 9.2307 9.2307 9.3489 9.3489 10.2219 10.2219 k = 0.0000 0.2571 0.3072 ( 6234 PWs) bands (ev): -21.1288 -21.1288 -21.0779 -21.0779 -8.9344 -8.9344 -8.7237 -8.7237 -7.7832 -7.7832 -7.5390 -7.5390 -5.9121 -5.9121 -5.7421 -5.7421 -5.5473 -5.5473 -5.5340 -5.5340 1.9969 1.9969 2.4568 2.4568 2.9847 2.9847 3.0649 3.0649 3.3733 3.3733 3.5190 3.5190 4.1373 4.1373 4.7990 4.7990 9.1619 9.1619 9.3098 9.3098 9.3604 9.3604 10.2803 10.2803 k = 0.0000 0.2714 0.3072 ( 6230 PWs) bands (ev): -21.1270 -21.1270 -21.0785 -21.0785 -8.9350 -8.9350 -8.7346 -8.7346 -7.7762 -7.7762 -7.5410 -7.5410 -5.9079 -5.9079 -5.7402 -5.7402 -5.5538 -5.5538 -5.5359 -5.5359 1.9830 1.9830 2.4555 2.4555 2.9614 2.9614 3.0661 3.0661 3.3624 3.3624 3.5128 3.5128 4.1632 4.1632 4.7808 4.7808 9.1929 9.1929 9.3485 9.3485 9.4190 9.4190 10.3336 10.3336 k = 0.0000 0.2857 0.3072 ( 6234 PWs) bands (ev): -21.1251 -21.1251 -21.0791 -21.0791 -8.9354 -8.9354 -8.7457 -8.7457 -7.7688 -7.7688 -7.5435 -7.5435 -5.9032 -5.9032 -5.7384 -5.7384 -5.5604 -5.5604 -5.5380 -5.5380 1.9709 1.9709 2.4497 2.4497 2.9419 2.9419 3.0685 3.0685 3.3481 3.3481 3.5086 3.5086 4.1888 4.1888 4.7623 4.7623 9.2272 9.2272 9.3631 9.3631 9.5080 9.5080 10.3223 10.3223 k = 0.0000 0.3000 0.3072 ( 6232 PWs) bands (ev): -21.1232 -21.1232 -21.0799 -21.0799 -8.9354 -8.9354 -8.7569 -8.7569 -7.7610 -7.7610 -7.5464 -7.5464 -5.8981 -5.8981 -5.7368 -5.7368 -5.5668 -5.5668 -5.5404 -5.5404 1.9608 1.9608 2.4389 2.4389 2.9273 2.9273 3.0720 3.0720 3.3316 3.3316 3.5054 3.5054 4.2141 4.2141 4.7438 4.7438 9.2642 9.2642 9.3784 9.3784 9.6022 9.6022 10.2732 10.2732 k = 0.0000 0.3143 0.3072 ( 6226 PWs) bands (ev): -21.1213 -21.1213 -21.0806 -21.0806 -8.9352 -8.9352 -8.7680 -8.7680 -7.7528 -7.7528 -7.5497 -7.5497 -5.8925 -5.8925 -5.7356 -5.7356 -5.5731 -5.5731 -5.5431 -5.5431 1.9526 1.9526 2.4232 2.4232 2.9179 2.9179 3.0764 3.0764 3.3139 3.3139 3.5021 3.5021 4.2388 4.2388 4.7252 4.7252 9.3036 9.3036 9.3968 9.3968 9.6989 9.6989 10.2256 10.2256 k = 0.0000 0.3286 0.3072 ( 6214 PWs) bands (ev): -21.1193 -21.1193 -21.0815 -21.0815 -8.9346 -8.9346 -8.7792 -8.7792 -7.7443 -7.7443 -7.5536 -7.5536 -5.8865 -5.8865 -5.7348 -5.7348 -5.5790 -5.5790 -5.5459 -5.5459 1.9467 1.9467 2.4028 2.4028 2.9133 2.9133 3.0816 3.0816 3.2958 3.2958 3.4980 3.4980 4.2629 4.2629 4.7068 4.7068 9.3444 9.3444 9.4188 9.4188 9.7974 9.7974 10.1808 10.1808 k = 0.0000 0.3429 0.3072 ( 6208 PWs) bands (ev): -21.1174 -21.1174 -21.0824 -21.0824 -8.9336 -8.9336 -8.7902 -8.7902 -7.7356 -7.7356 -7.5579 -7.5579 -5.8800 -5.8800 -5.7345 -5.7345 -5.5844 -5.5844 -5.5491 -5.5491 1.9430 1.9430 2.3784 2.3784 2.9130 2.9130 3.0876 3.0876 3.2782 3.2782 3.4927 3.4927 4.2864 4.2864 4.6886 4.6886 9.3856 9.3856 9.4451 9.4451 9.8969 9.8969 10.1387 10.1387 k = 0.0000 0.3571 0.3072 ( 6214 PWs) bands (ev): -21.1154 -21.1154 -21.0834 -21.0834 -8.9322 -8.9322 -8.8011 -8.8011 -7.7266 -7.7266 -7.5626 -7.5626 -5.8731 -5.8731 -5.7350 -5.7350 -5.5893 -5.5893 -5.5524 -5.5524 1.9416 1.9416 2.3510 2.3510 2.9163 2.9163 3.0938 3.0938 3.2618 3.2618 3.4858 3.4858 4.3091 4.3091 4.6705 4.6705 9.4260 9.4260 9.4759 9.4759 9.9968 9.9968 10.0996 10.0996 k = 0.0000 0.3714 0.3072 ( 6210 PWs) bands (ev): -21.1134 -21.1134 -21.0844 -21.0844 -8.9304 -8.9304 -8.8118 -8.8118 -7.7174 -7.7174 -7.5679 -7.5679 -5.8658 -5.8658 -5.7364 -5.7364 -5.5933 -5.5933 -5.5559 -5.5559 1.9425 1.9425 2.3214 2.3214 2.9223 2.9223 3.0996 3.0996 3.2477 3.2477 3.4772 3.4772 4.3312 4.3312 4.6528 4.6528 9.4648 9.4648 9.5112 9.5112 10.0622 10.0622 10.0969 10.0969 k = 0.0000 0.3857 0.3072 ( 6218 PWs) bands (ev): -21.1115 -21.1115 -21.0855 -21.0855 -8.9281 -8.9281 -8.8222 -8.8222 -7.7081 -7.7081 -7.5736 -7.5736 -5.8581 -5.8581 -5.7386 -5.7386 -5.5965 -5.5965 -5.5595 -5.5595 1.9459 1.9459 2.2905 2.2905 2.9303 2.9303 3.1036 3.1036 3.2375 3.2375 3.4668 3.4668 4.3526 4.3526 4.6353 4.6353 9.5027 9.5027 9.5496 9.5496 10.0285 10.0285 10.1911 10.1911 k = 0.0000 0.4000 0.3072 ( 6230 PWs) bands (ev): -21.1095 -21.1095 -21.0867 -21.0867 -8.9253 -8.9253 -8.8324 -8.8324 -7.6986 -7.6986 -7.5797 -7.5797 -5.8501 -5.8501 -5.7419 -5.7419 -5.5987 -5.5987 -5.5633 -5.5633 1.9517 1.9517 2.2589 2.2589 2.9398 2.9398 3.1042 3.1042 3.2328 3.2328 3.4545 3.4545 4.3732 4.3732 4.6180 4.6180 9.5406 9.5406 9.5892 9.5892 9.9967 9.9967 10.2112 10.2112 k = 0.0000 0.4143 0.3072 ( 6226 PWs) bands (ev): -21.1076 -21.1076 -21.0879 -21.0879 -8.9221 -8.9221 -8.8421 -8.8421 -7.6892 -7.6892 -7.5863 -7.5863 -5.8418 -5.8418 -5.7463 -5.7463 -5.5999 -5.5999 -5.5672 -5.5672 1.9599 1.9599 2.2272 2.2272 2.9503 2.9503 3.1004 3.1004 3.2346 3.2346 3.4404 3.4404 4.3932 4.3932 4.6011 4.6011 9.5794 9.5794 9.6285 9.6285 9.9669 9.9669 10.1706 10.1706 k = 0.0000 0.4286 0.3072 ( 6236 PWs) bands (ev): -21.1057 -21.1057 -21.0892 -21.0892 -8.9183 -8.9183 -8.8515 -8.8515 -7.6797 -7.6797 -7.5933 -7.5933 -5.8332 -5.8332 -5.7516 -5.7516 -5.6002 -5.6002 -5.5712 -5.5712 1.9705 1.9705 2.1961 2.1961 2.9617 2.9617 3.0924 3.0924 3.2426 3.2426 3.4248 3.4248 4.4125 4.4125 4.5843 4.5843 9.6194 9.6194 9.6666 9.6666 9.9389 9.9389 10.1240 10.1240 k = 0.0000 0.4429 0.3072 ( 6240 PWs) bands (ev): -21.1038 -21.1038 -21.0906 -21.0906 -8.9140 -8.9140 -8.8604 -8.8604 -7.6702 -7.6702 -7.6007 -7.6007 -5.8245 -5.8245 -5.7578 -5.7578 -5.5995 -5.5995 -5.5752 -5.5752 1.9836 1.9836 2.1658 2.1658 2.9737 2.9737 3.0814 3.0814 3.2553 3.2553 3.4076 3.4076 4.4312 4.4312 4.5677 4.5677 9.6600 9.6600 9.7036 9.7036 9.9123 9.9123 10.0749 10.0749 k = 0.0000 0.4571 0.3072 ( 6244 PWs) bands (ev): -21.1020 -21.1020 -21.0921 -21.0921 -8.9092 -8.9092 -8.8689 -8.8689 -7.6608 -7.6608 -7.6084 -7.6084 -5.8156 -5.8156 -5.7648 -5.7648 -5.5981 -5.5981 -5.5791 -5.5791 1.9990 1.9990 2.1366 2.1366 2.9863 2.9863 3.0685 3.0685 3.2715 3.2715 3.3893 3.3893 4.4494 4.4494 4.5512 4.5512 9.7002 9.7002 9.7400 9.7400 9.8869 9.8869 10.0246 10.0246 k = 0.0000 0.4714 0.3072 ( 6248 PWs) bands (ev): -21.1002 -21.1002 -21.0936 -21.0936 -8.9038 -8.9038 -8.8770 -8.8770 -7.6516 -7.6516 -7.6165 -7.6165 -5.8067 -5.8067 -5.7725 -5.7725 -5.5959 -5.5959 -5.5830 -5.5830 2.0168 2.0168 2.1090 2.1090 2.9993 2.9993 3.0548 3.0548 3.2898 3.2898 3.3699 3.3699 4.4671 4.4671 4.5347 4.5347 9.7377 9.7377 9.7770 9.7770 9.8632 9.8632 9.9740 9.9740 k = 0.0000 0.4857 0.3072 ( 6240 PWs) bands (ev): -21.0985 -21.0985 -21.0951 -21.0951 -8.8979 -8.8979 -8.8845 -8.8845 -7.6424 -7.6424 -7.6249 -7.6249 -5.7978 -5.7978 -5.7806 -5.7806 -5.5933 -5.5933 -5.5867 -5.5867 2.0367 2.0367 2.0830 2.0830 3.0128 3.0128 3.0407 3.0407 3.3094 3.3094 3.3499 3.3499 4.4844 4.4844 4.5181 4.5181 9.7706 9.7706 9.8073 9.8073 9.8496 9.8496 9.9245 9.9245 k = 0.0000 0.5000 0.3072 ( 6232 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8914 -8.8914 -8.8914 -8.8914 -7.6335 -7.6335 -7.6335 -7.6335 -5.7891 -5.7891 -5.7891 -5.7891 -5.5901 -5.5901 -5.5901 -5.5901 2.0589 2.0589 2.0589 2.0589 3.0266 3.0266 3.0266 3.0266 3.3296 3.3296 3.3296 3.3296 4.5013 4.5013 4.5013 4.5013 9.7977 9.7977 9.7977 9.7977 9.8783 9.8783 9.8783 9.8783 k = 0.0000 0.5000 0.3072 ( 6232 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8914 -8.8914 -8.8914 -8.8914 -7.6335 -7.6335 -7.6335 -7.6335 -5.7891 -5.7891 -5.7891 -5.7891 -5.5901 -5.5901 -5.5901 -5.5901 2.0589 2.0589 2.0589 2.0589 3.0266 3.0266 3.0266 3.0266 3.3296 3.3296 3.3296 3.3296 4.5013 4.5013 4.5013 4.5013 9.7977 9.7977 9.7977 9.7977 9.8783 9.8783 9.8783 9.8783 k = 0.0143 0.5000 0.3072 ( 6228 PWs) bands (ev): -21.0968 -21.0968 -21.0967 -21.0967 -8.8912 -8.8912 -8.8910 -8.8910 -7.6343 -7.6343 -7.6334 -7.6334 -5.7956 -5.7956 -5.7831 -5.7831 -5.5962 -5.5962 -5.5851 -5.5851 2.0575 2.0575 2.0622 2.0622 3.0261 3.0261 3.0273 3.0273 3.3260 3.3260 3.3327 3.3327 4.4997 4.4997 4.5019 4.5019 9.7734 9.7734 9.8043 9.8043 9.8754 9.8754 9.9047 9.9047 k = 0.0286 0.5000 0.3072 ( 6232 PWs) bands (ev): -21.0967 -21.0967 -21.0967 -21.0967 -8.8903 -8.8903 -8.8898 -8.8898 -7.6358 -7.6358 -7.6340 -7.6340 -5.8025 -5.8025 -5.7776 -5.7776 -5.6031 -5.6031 -5.5809 -5.5809 2.0579 2.0579 2.0674 2.0674 3.0255 3.0255 3.0281 3.0281 3.3222 3.3222 3.3353 3.3353 4.4971 4.4971 4.5013 4.5013 9.7467 9.7467 9.7879 9.7879 9.9012 9.9012 9.9391 9.9391 k = 0.0429 0.5000 0.3072 ( 6240 PWs) bands (ev): -21.0966 -21.0966 -21.0965 -21.0965 -8.8886 -8.8886 -8.8880 -8.8880 -7.6378 -7.6378 -7.6352 -7.6352 -5.8098 -5.8098 -5.7725 -5.7725 -5.6110 -5.6110 -5.5777 -5.5777 2.0602 2.0602 2.0745 2.0745 3.0247 3.0247 3.0294 3.0294 3.3183 3.3183 3.3372 3.3372 4.4933 4.4933 4.4996 4.4996 9.7218 9.7218 9.7660 9.7660 9.9379 9.9379 9.9774 9.9774 k = 0.0571 0.5000 0.3072 ( 6236 PWs) bands (ev): -21.0964 -21.0964 -21.0964 -21.0964 -8.8863 -8.8863 -8.8855 -8.8855 -7.6405 -7.6405 -7.6370 -7.6370 -5.8175 -5.8175 -5.7680 -5.7680 -5.6197 -5.6197 -5.5755 -5.5755 2.0642 2.0642 2.0835 2.0835 3.0236 3.0236 3.0314 3.0314 3.3144 3.3144 3.3382 3.3382 4.4886 4.4886 4.4969 4.4969 9.6997 9.6997 9.7452 9.7452 9.9789 9.9789 10.0182 10.0182 k = 0.0714 0.5000 0.3072 ( 6244 PWs) bands (ev): -21.0962 -21.0962 -21.0962 -21.0962 -8.8833 -8.8833 -8.8823 -8.8823 -7.6439 -7.6439 -7.6396 -7.6396 -5.8256 -5.8256 -5.7640 -5.7640 -5.6293 -5.6293 -5.5742 -5.5742 2.0697 2.0697 2.0942 2.0942 3.0221 3.0221 3.0341 3.0341 3.3106 3.3106 3.3383 3.3383 4.4829 4.4829 4.4932 4.4932 9.6809 9.6809 9.7270 9.7270 10.0224 10.0224 10.0608 10.0608 k = 0.0857 0.5000 0.3072 ( 6248 PWs) bands (ev): -21.0959 -21.0959 -21.0959 -21.0959 -8.8797 -8.8797 -8.8784 -8.8784 -7.6478 -7.6478 -7.6427 -7.6427 -5.8340 -5.8340 -5.7605 -5.7605 -5.6395 -5.6395 -5.5737 -5.5737 2.0767 2.0767 2.1066 2.1066 3.0202 3.0202 3.0378 3.0378 3.3070 3.3070 3.3372 3.3372 4.4763 4.4763 4.4885 4.4885 9.6656 9.6656 9.7119 9.7119 10.0675 10.0675 10.1047 10.1047 k = 0.1000 0.5000 0.3072 ( 6248 PWs) bands (ev): -21.0956 -21.0956 -21.0956 -21.0956 -8.8754 -8.8754 -8.8739 -8.8739 -7.6523 -7.6523 -7.6465 -7.6465 -5.8427 -5.8427 -5.7575 -5.7575 -5.6505 -5.6505 -5.5741 -5.5741 2.0849 2.0849 2.1205 2.1205 3.0179 3.0179 3.0427 3.0427 3.3037 3.3037 3.3350 3.3350 4.4689 4.4689 4.4829 4.4829 9.6539 9.6539 9.7001 9.7001 10.1137 10.1137 10.1494 10.1494 k = 0.1143 0.5000 0.3072 ( 6248 PWs) bands (ev): -21.0952 -21.0952 -21.0952 -21.0952 -8.8705 -8.8705 -8.8688 -8.8688 -7.6573 -7.6573 -7.6509 -7.6509 -5.8517 -5.8517 -5.7552 -5.7552 -5.6619 -5.6619 -5.5753 -5.5753 2.0943 2.0943 2.1357 2.1357 3.0150 3.0150 3.0489 3.0489 3.3008 3.3008 3.3314 3.3314 4.4608 4.4608 4.4765 4.4765 9.6459 9.6459 9.6916 9.6916 10.1604 10.1604 10.1943 10.1943 k = 0.1286 0.5000 0.3072 ( 6244 PWs) bands (ev): -21.0948 -21.0948 -21.0948 -21.0948 -8.8650 -8.8650 -8.8631 -8.8631 -7.6629 -7.6629 -7.6559 -7.6559 -5.8609 -5.8609 -5.7536 -5.7536 -5.6737 -5.6737 -5.5772 -5.5772 2.1046 2.1046 2.1522 2.1522 3.0116 3.0116 3.0565 3.0565 3.2984 3.2984 3.3265 3.3265 4.4520 4.4520 4.4694 4.4694 9.6415 9.6415 9.6866 9.6866 10.2073 10.2073 10.2390 10.2390 k = 0.1429 0.5000 0.3072 ( 6244 PWs) bands (ev): -21.0944 -21.0944 -21.0944 -21.0944 -8.8590 -8.8590 -8.8569 -8.8569 -7.6690 -7.6690 -7.6615 -7.6615 -5.8702 -5.8702 -5.7529 -5.7529 -5.6856 -5.6856 -5.5799 -5.5799 2.1156 2.1156 2.1697 2.1697 3.0076 3.0076 3.0657 3.0657 3.2967 3.2967 3.3202 3.3202 4.4426 4.4426 4.4616 4.4616 9.6407 9.6407 9.6848 9.6848 10.2540 10.2540 10.2832 10.2832 k = 0.1571 0.5000 0.3072 ( 6236 PWs) bands (ev): -21.0939 -21.0939 -21.0939 -21.0939 -8.8524 -8.8524 -8.8502 -8.8502 -7.6755 -7.6755 -7.6676 -7.6676 -5.8797 -5.8797 -5.7534 -5.7534 -5.6971 -5.6971 -5.5832 -5.5832 2.1273 2.1273 2.1880 2.1880 3.0030 3.0030 3.0764 3.0764 3.2956 3.2956 3.3124 3.3124 4.4328 4.4328 4.4533 4.4533 9.6432 9.6432 9.6861 9.6861 10.3003 10.3003 10.3265 10.3265 k = 0.1714 0.5000 0.3072 ( 6228 PWs) bands (ev): -21.0935 -21.0935 -21.0935 -21.0935 -8.8453 -8.8453 -8.8430 -8.8430 -7.6825 -7.6825 -7.6742 -7.6742 -5.8892 -5.8892 -5.7558 -5.7558 -5.7075 -5.7075 -5.5871 -5.5871 2.1395 2.1395 2.2070 2.2070 2.9977 2.9977 3.0886 3.0886 3.2954 3.2954 3.3033 3.3033 4.4227 4.4227 4.4446 4.4446 9.6490 9.6490 9.6904 9.6904 10.3461 10.3461 10.3687 10.3687 k = 0.1857 0.5000 0.3072 ( 6228 PWs) bands (ev): -21.0930 -21.0930 -21.0929 -21.0929 -8.8378 -8.8378 -8.8353 -8.8353 -7.6899 -7.6899 -7.6813 -7.6813 -5.8987 -5.8987 -5.7609 -5.7609 -5.7158 -5.7158 -5.5915 -5.5915 2.1520 2.1520 2.2264 2.2264 2.9917 2.9917 3.1023 3.1023 3.2928 3.2928 3.2961 3.2961 4.4123 4.4123 4.4356 4.4356 9.6578 9.6578 9.6973 9.6973 10.3915 10.3915 10.4100 10.4100 k = 0.2000 0.5000 0.3072 ( 6240 PWs) bands (ev): -21.0924 -21.0924 -21.0924 -21.0924 -8.8299 -8.8299 -8.8273 -8.8273 -7.6976 -7.6976 -7.6888 -7.6888 -5.9082 -5.9082 -5.7691 -5.7691 -5.7214 -5.7214 -5.5963 -5.5963 2.1648 2.1648 2.2461 2.2461 2.9848 2.9848 3.1172 3.1172 3.2810 3.2810 3.2978 3.2978 4.4019 4.4019 4.4264 4.4264 9.6692 9.6692 9.7067 9.7067 10.4366 10.4366 10.4506 10.4506 k = 0.2143 0.5000 0.3072 ( 6252 PWs) bands (ev): -21.0919 -21.0919 -21.0919 -21.0919 -8.8217 -8.8217 -8.8189 -8.8189 -7.7056 -7.7056 -7.6967 -7.6967 -5.9176 -5.9176 -5.7801 -5.7801 -5.7248 -5.7248 -5.6016 -5.6016 2.1777 2.1777 2.2659 2.2659 2.9770 2.9770 3.1331 3.1331 3.2683 3.2683 3.3006 3.3006 4.3915 4.3915 4.4172 4.4172 9.6830 9.6830 9.7182 9.7182 10.4819 10.4819 10.4908 10.4908 k = 0.2286 0.5000 0.3072 ( 6256 PWs) bands (ev): -21.0913 -21.0913 -21.0913 -21.0913 -8.8131 -8.8131 -8.8102 -8.8102 -7.7138 -7.7138 -7.7049 -7.7049 -5.9268 -5.9268 -5.7929 -5.7929 -5.7266 -5.7266 -5.6071 -5.6071 2.1908 2.1908 2.2857 2.2857 2.9683 2.9683 3.1494 3.1494 3.2550 3.2550 3.3045 3.3045 4.3814 4.3814 4.4080 4.4080 9.6987 9.6987 9.7315 9.7315 10.5278 10.5278 10.5313 10.5313 k = 0.2429 0.5000 0.3072 ( 6248 PWs) bands (ev): -21.0908 -21.0908 -21.0907 -21.0907 -8.8043 -8.8043 -8.8014 -8.8014 -7.7223 -7.7223 -7.7134 -7.7134 -5.9359 -5.9359 -5.8067 -5.8067 -5.7276 -5.7276 -5.6130 -5.6130 2.2040 2.2040 2.3052 2.3052 2.9587 2.9587 3.1647 3.1647 3.2422 3.2422 3.3095 3.3095 4.3715 4.3715 4.3991 4.3991 9.7161 9.7161 9.7462 9.7462 10.5728 10.5728 10.5749 10.5749 k = 0.2571 0.5000 0.3072 ( 6244 PWs) bands (ev): -21.0902 -21.0902 -21.0902 -21.0902 -8.7953 -8.7953 -8.7923 -8.7923 -7.7308 -7.7308 -7.7220 -7.7220 -5.9446 -5.9446 -5.8210 -5.8210 -5.7282 -5.7282 -5.6190 -5.6190 2.2173 2.2173 2.3245 2.3245 2.9482 2.9482 3.1758 3.1758 3.2333 3.2333 3.3155 3.3155 4.3622 4.3622 4.3906 4.3906 9.7346 9.7346 9.7619 9.7619 10.6159 10.6159 10.6236 10.6236 k = 0.2714 0.5000 0.3072 ( 6236 PWs) bands (ev): -21.0896 -21.0896 -21.0896 -21.0896 -8.7862 -8.7862 -8.7832 -8.7832 -7.7395 -7.7395 -7.7309 -7.7309 -5.9531 -5.9531 -5.8356 -5.8356 -5.7284 -5.7284 -5.6252 -5.6252 2.2307 2.2307 2.3434 2.3434 2.9368 2.9368 3.1758 3.1758 3.2348 3.2348 3.3224 3.3224 4.3534 4.3534 4.3824 4.3824 9.7538 9.7538 9.7783 9.7783 10.6614 10.6614 10.6745 10.6745 k = 0.2857 0.5000 0.3072 ( 6244 PWs) bands (ev): -21.0891 -21.0891 -21.0891 -21.0891 -8.7770 -8.7770 -8.7740 -8.7740 -7.7481 -7.7481 -7.7398 -7.7398 -5.9611 -5.9611 -5.8501 -5.8501 -5.7285 -5.7285 -5.6314 -5.6314 2.2442 2.2442 2.3619 2.3619 2.9248 2.9248 3.1645 3.1645 3.2467 3.2467 3.3300 3.3300 4.3454 4.3454 4.3748 4.3748 9.7733 9.7733 9.7951 9.7951 10.7097 10.7097 10.7282 10.7282 k = 0.3000 0.5000 0.3072 ( 6244 PWs) bands (ev): -21.0885 -21.0885 -21.0885 -21.0885 -8.7679 -8.7679 -8.7649 -8.7649 -7.7567 -7.7567 -7.7487 -7.7487 -5.9687 -5.9687 -5.8645 -5.8645 -5.7284 -5.7284 -5.6377 -5.6377 2.2579 2.2579 2.3797 2.3797 2.9121 2.9121 3.1476 3.1476 3.2632 3.2632 3.3382 3.3382 4.3382 4.3382 4.3679 4.3679 9.7927 9.7927 9.8118 9.8118 10.7615 10.7615 10.7849 10.7849 k = 0.3143 0.5000 0.3072 ( 6256 PWs) bands (ev): -21.0880 -21.0880 -21.0880 -21.0880 -8.7589 -8.7589 -8.7559 -8.7559 -7.7651 -7.7651 -7.7575 -7.7575 -5.9759 -5.9759 -5.8787 -5.8787 -5.7281 -5.7281 -5.6440 -5.6440 2.2718 2.2718 2.3968 2.3968 2.8991 2.8991 3.1283 3.1283 3.2808 3.2808 3.3467 3.3467 4.3319 4.3319 4.3616 4.3616 9.8117 9.8117 9.8283 9.8283 10.8171 10.8171 10.8449 10.8449 k = 0.3286 0.5000 0.3072 ( 6252 PWs) bands (ev): -21.0875 -21.0875 -21.0875 -21.0875 -8.7500 -8.7500 -8.7472 -8.7472 -7.7734 -7.7734 -7.7661 -7.7661 -5.9825 -5.9825 -5.8924 -5.8924 -5.7278 -5.7278 -5.6502 -5.6502 2.2859 2.2859 2.4131 2.4131 2.8861 2.8861 3.1076 3.1076 3.2985 3.2985 3.3554 3.3554 4.3266 4.3266 4.3560 4.3560 9.8300 9.8300 9.8442 9.8442 10.8766 10.8766 10.9082 10.9082 k = 0.3429 0.5000 0.3072 ( 6248 PWs) bands (ev): -21.0870 -21.0870 -21.0870 -21.0870 -8.7414 -8.7414 -8.7387 -8.7387 -7.7813 -7.7813 -7.7746 -7.7746 -5.9884 -5.9884 -5.9057 -5.9057 -5.7273 -5.7273 -5.6562 -5.6562 2.3002 2.3002 2.4284 2.4284 2.8732 2.8732 3.0861 3.0861 3.3155 3.3155 3.3639 3.3639 4.3223 4.3223 4.3511 4.3511 9.8473 9.8473 9.8593 9.8593 10.9401 10.9401 10.9748 10.9748 k = 0.3571 0.5000 0.3072 ( 6248 PWs) bands (ev): -21.0865 -21.0865 -21.0865 -21.0865 -8.7332 -8.7332 -8.7306 -8.7306 -7.7889 -7.7889 -7.7827 -7.7827 -5.9938 -5.9938 -5.9184 -5.9184 -5.7266 -5.7266 -5.6622 -5.6622 2.3148 2.3148 2.4425 2.4425 2.8609 2.8609 3.0641 3.0641 3.3314 3.3314 3.3722 3.3722 4.3191 4.3191 4.3469 4.3469 9.8635 9.8635 9.8735 9.8735 11.0073 11.0073 11.0444 11.0444 k = 0.3714 0.5000 0.3072 ( 6248 PWs) bands (ev): -21.0861 -21.0861 -21.0861 -21.0861 -8.7254 -8.7254 -8.7230 -8.7230 -7.7960 -7.7960 -7.7904 -7.7904 -5.9984 -5.9984 -5.9305 -5.9305 -5.7258 -5.7258 -5.6679 -5.6679 2.3296 2.3296 2.4552 2.4552 2.8496 2.8496 3.0418 3.0418 3.3462 3.3462 3.3800 3.3800 4.3169 4.3169 4.3433 4.3433 9.8783 9.8783 9.8867 9.8867 11.0778 11.0778 11.1164 11.1164 k = 0.3857 0.5000 0.3072 ( 6248 PWs) bands (ev): -21.0857 -21.0857 -21.0857 -21.0857 -8.7181 -8.7181 -8.7159 -8.7159 -7.8027 -7.8027 -7.7975 -7.7975 -6.0023 -6.0023 -5.9419 -5.9419 -5.7247 -5.7247 -5.6734 -5.6734 2.3446 2.3446 2.4660 2.4660 2.8398 2.8398 3.0193 3.0193 3.3595 3.3595 3.3872 3.3872 4.3156 4.3156 4.3403 4.3403 9.8918 9.8918 9.8986 9.8986 11.1510 11.1510 11.1901 11.1901 k = 0.4000 0.5000 0.3072 ( 6248 PWs) bands (ev): -21.0854 -21.0854 -21.0853 -21.0853 -8.7115 -8.7115 -8.7094 -8.7094 -7.8087 -7.8087 -7.8042 -7.8042 -6.0054 -6.0054 -5.9525 -5.9525 -5.7235 -5.7235 -5.6787 -5.6787 2.3597 2.3597 2.4747 2.4747 2.8320 2.8320 2.9970 2.9970 3.3713 3.3713 3.3937 3.3937 4.3152 4.3152 4.3377 4.3377 9.9037 9.9037 9.9093 9.9093 11.2260 11.2260 11.2647 11.2647 k = 0.4143 0.5000 0.3072 ( 6252 PWs) bands (ev): -21.0850 -21.0850 -21.0850 -21.0850 -8.7055 -8.7055 -8.7036 -8.7036 -7.8140 -7.8140 -7.8101 -7.8101 -6.0077 -6.0077 -5.9623 -5.9623 -5.7221 -5.7221 -5.6838 -5.6838 2.3749 2.3749 2.4810 2.4810 2.8267 2.8267 2.9749 2.9749 3.3816 3.3816 3.3993 3.3993 4.3155 4.3155 4.3355 4.3355 9.9142 9.9142 9.9186 9.9186 11.3015 11.3015 11.3388 11.3388 k = 0.4286 0.5000 0.3072 ( 6248 PWs) bands (ev): -21.0848 -21.0848 -21.0848 -21.0848 -8.7002 -8.7002 -8.6987 -8.6987 -7.8186 -7.8186 -7.8154 -7.8154 -6.0091 -6.0091 -5.9713 -5.9713 -5.7204 -5.7204 -5.6886 -5.6886 2.3901 2.3901 2.4844 2.4844 2.8244 2.8244 2.9533 2.9533 3.3904 3.3904 3.4041 3.4041 4.3164 4.3164 4.3336 4.3336 9.9231 9.9231 9.9266 9.9266 11.3761 11.3761 11.4113 11.4113 k = 0.4429 0.5000 0.3072 ( 6252 PWs) bands (ev): -21.0845 -21.0845 -21.0845 -21.0845 -8.6958 -8.6958 -8.6945 -8.6945 -7.8224 -7.8224 -7.8198 -7.8198 -6.0097 -6.0097 -5.9794 -5.9794 -5.7185 -5.7185 -5.6931 -5.6931 2.4051 2.4051 2.4847 2.4847 2.8253 2.8253 2.9324 2.9324 3.3976 3.3976 3.4079 3.4079 4.3177 4.3177 4.3319 4.3319 9.9305 9.9305 9.9331 9.9331 11.4482 11.4482 11.4806 11.4806 k = 0.4571 0.5000 0.3072 ( 6260 PWs) bands (ev): -21.0844 -21.0844 -21.0844 -21.0844 -8.6922 -8.6922 -8.6913 -8.6913 -7.8254 -7.8254 -7.8234 -7.8234 -6.0093 -6.0093 -5.9866 -5.9866 -5.7163 -5.7163 -5.6973 -5.6973 2.4197 2.4197 2.4821 2.4821 2.8295 2.8295 2.9124 2.9124 3.4033 3.4033 3.4106 3.4106 4.3193 4.3193 4.3302 4.3302 9.9362 9.9362 9.9381 9.9381 11.5158 11.5158 11.5453 11.5453 k = 0.4714 0.5000 0.3072 ( 6252 PWs) bands (ev): -21.0842 -21.0842 -21.0842 -21.0842 -8.6896 -8.6896 -8.6890 -8.6890 -7.8274 -7.8274 -7.8261 -7.8261 -6.0079 -6.0079 -5.9928 -5.9928 -5.7138 -5.7138 -5.7012 -5.7012 2.4336 2.4336 2.4766 2.4766 2.8371 2.8371 2.8936 2.8936 3.4077 3.4077 3.4123 3.4123 4.3211 4.3211 4.3285 4.3285 9.9404 9.9404 9.9417 9.9417 11.5775 11.5775 11.6039 11.6039 k = 0.4857 0.5000 0.3072 ( 6252 PWs) bands (ev): -21.0842 -21.0842 -21.0842 -21.0842 -8.6880 -8.6880 -8.6876 -8.6876 -7.8285 -7.8285 -7.8279 -7.8279 -6.0056 -6.0056 -5.9980 -5.9980 -5.7111 -5.7111 -5.7048 -5.7048 2.4467 2.4467 2.4686 2.4686 2.8476 2.8476 2.8763 2.8763 3.4107 3.4107 3.4129 3.4129 4.3230 4.3230 4.3267 4.3267 9.9431 9.9431 9.9437 9.9437 11.6317 11.6317 11.6548 11.6548 k = 0.5000 0.5000 0.3072 ( 6256 PWs) bands (ev): -21.0841 -21.0841 -21.0841 -21.0841 -8.6873 -8.6873 -8.6873 -8.6873 -7.8287 -7.8287 -7.8287 -7.8287 -6.0023 -6.0023 -6.0023 -6.0023 -5.7081 -5.7081 -5.7081 -5.7081 2.4585 2.4585 2.4585 2.4585 2.8608 2.8608 2.8608 2.8608 3.4124 3.4124 3.4124 3.4124 4.3249 4.3249 4.3249 4.3249 9.9442 9.9442 9.9442 9.9442 11.6758 11.6758 11.6758 11.6758 k = 0.5000 0.5000 0.3072 ( 6256 PWs) bands (ev): -21.0841 -21.0841 -21.0841 -21.0841 -8.6873 -8.6873 -8.6873 -8.6873 -7.8287 -7.8287 -7.8287 -7.8287 -6.0023 -6.0023 -6.0023 -6.0023 -5.7081 -5.7081 -5.7081 -5.7081 2.4585 2.4585 2.4585 2.4585 2.8608 2.8608 2.8608 2.8608 3.4124 3.4124 3.4124 3.4124 4.3249 4.3249 4.3249 4.3249 9.9442 9.9442 9.9442 9.9442 11.6758 11.6758 11.6758 11.6758 k = 0.4898 0.4898 0.3072 ( 6252 PWs) bands (ev): -21.0842 -21.0842 -21.0841 -21.0841 -8.6880 -8.6880 -8.6876 -8.6876 -7.8286 -7.8286 -7.8278 -7.8278 -6.0056 -6.0056 -5.9980 -5.9980 -5.7111 -5.7111 -5.7047 -5.7047 2.4465 2.4465 2.4688 2.4688 2.8475 2.8475 2.8765 2.8765 3.4104 3.4104 3.4131 3.4131 4.3230 4.3230 4.3268 4.3268 9.9430 9.9430 9.9438 9.9438 11.6226 11.6226 11.6824 11.6824 k = 0.4796 0.4796 0.3072 ( 6258 PWs) bands (ev): -21.0844 -21.0844 -21.0841 -21.0841 -8.6900 -8.6900 -8.6887 -8.6887 -7.8278 -7.8278 -7.8256 -7.8256 -6.0080 -6.0080 -5.9926 -5.9926 -5.7139 -5.7139 -5.7011 -5.7011 2.4327 2.4327 2.4777 2.4777 2.8363 2.8363 2.8942 2.8942 3.4063 3.4063 3.4136 3.4136 4.3210 4.3210 4.3286 4.3286 9.9400 9.9400 9.9421 9.9421 11.5539 11.5539 11.6641 11.6641 k = 0.4694 0.4694 0.3072 ( 6262 PWs) bands (ev): -21.0847 -21.0847 -21.0840 -21.0840 -8.6931 -8.6931 -8.6905 -8.6905 -7.8265 -7.8265 -7.8221 -7.8221 -6.0095 -6.0095 -5.9862 -5.9862 -5.7163 -5.7163 -5.6972 -5.6972 2.4172 2.4172 2.4854 2.4854 2.8273 2.8273 2.9137 2.9137 3.3996 3.3996 3.4142 3.4142 4.3189 4.3189 4.3307 4.3307 9.9352 9.9352 9.9393 9.9393 11.4799 11.4799 11.6357 11.6357 k = 0.4592 0.4592 0.3072 ( 6254 PWs) bands (ev): -21.0852 -21.0852 -21.0839 -21.0839 -8.6975 -8.6975 -8.6929 -8.6929 -7.8247 -7.8247 -7.8173 -7.8173 -6.0102 -6.0102 -5.9786 -5.9786 -5.7183 -5.7183 -5.6931 -5.6931 2.4004 2.4004 2.4925 2.4925 2.8200 2.8200 2.9346 2.9346 3.3903 3.3903 3.4149 3.4149 4.3166 4.3166 4.3332 4.3332 9.9288 9.9288 9.9356 9.9356 11.4036 11.4036 11.5978 11.5978 k = 0.4490 0.4490 0.3072 ( 6258 PWs) bands (ev): -21.0857 -21.0857 -21.0838 -21.0838 -8.7030 -8.7030 -8.6959 -8.6959 -7.8225 -7.8225 -7.8113 -7.8113 -6.0101 -6.0101 -5.9700 -5.9700 -5.7200 -5.7200 -5.6887 -5.6887 2.3826 2.3826 2.4990 2.4990 2.8141 2.8141 2.9562 2.9562 3.3786 3.3786 3.4159 3.4159 4.3142 4.3142 4.3364 4.3364 9.9212 9.9212 9.9310 9.9310 11.3272 11.3272 11.5480 11.5480 k = 0.4388 0.4388 0.3072 ( 6258 PWs) bands (ev): -21.0864 -21.0864 -21.0837 -21.0837 -8.7096 -8.7096 -8.6994 -8.6994 -7.8199 -7.8199 -7.8042 -7.8042 -6.0095 -6.0095 -5.9603 -5.9603 -5.7213 -5.7213 -5.6842 -5.6842 2.3644 2.3644 2.5054 2.5054 2.8089 2.8089 2.9781 2.9781 3.3645 3.3645 3.4170 3.4170 4.3117 4.3117 4.3407 4.3407 9.9127 9.9127 9.9256 9.9256 11.2519 11.2519 11.4814 11.4814 k = 0.4286 0.4286 0.3072 ( 6250 PWs) bands (ev): -21.0872 -21.0872 -21.0836 -21.0836 -8.7170 -8.7170 -8.7033 -8.7033 -7.8171 -7.8171 -7.7960 -7.7960 -6.0082 -6.0082 -5.9496 -5.9496 -5.7222 -5.7222 -5.6794 -5.6794 2.3463 2.3463 2.5118 2.5118 2.8040 2.8040 2.9998 2.9998 3.3484 3.3484 3.4183 3.4183 4.3089 4.3089 4.3464 4.3464 9.9039 9.9039 9.9197 9.9197 11.1787 11.1787 11.3970 11.3970 k = 0.4184 0.4184 0.3072 ( 6252 PWs) bands (ev): -21.0882 -21.0882 -21.0834 -21.0834 -8.7253 -8.7253 -8.7075 -8.7075 -7.8140 -7.8140 -7.7869 -7.7869 -6.0065 -6.0065 -5.9378 -5.9378 -5.7227 -5.7227 -5.6746 -5.6746 2.3288 2.3288 2.5183 2.5183 2.7988 2.7988 3.0209 3.0209 3.3306 3.3306 3.4198 3.4198 4.3058 4.3058 4.3537 4.3537 9.8951 9.8951 9.9134 9.9134 11.1078 11.1078 11.3017 11.3017 k = 0.4082 0.4082 0.3072 ( 6248 PWs) bands (ev): -21.0892 -21.0892 -21.0832 -21.0832 -8.7344 -8.7344 -8.7118 -8.7118 -7.8108 -7.8108 -7.7770 -7.7770 -6.0043 -6.0043 -5.9251 -5.9251 -5.7227 -5.7227 -5.6696 -5.6696 2.3123 2.3123 2.5250 2.5250 2.7927 2.7927 3.0410 3.0410 3.3118 3.3118 3.4215 3.4215 4.3024 4.3024 4.3629 4.3629 9.8867 9.8867 9.9069 9.9069 11.0397 11.0397 11.2018 11.2018 k = 0.3980 0.3980 0.3072 ( 6248 PWs) bands (ev): -21.0904 -21.0904 -21.0830 -21.0830 -8.7440 -8.7440 -8.7162 -8.7162 -7.8076 -7.8076 -7.7664 -7.7664 -6.0019 -6.0019 -5.9114 -5.9114 -5.7223 -5.7223 -5.6646 -5.6646 2.2973 2.2973 2.5319 2.5319 2.7851 2.7851 3.0597 3.0597 3.2927 3.2927 3.4234 3.4234 4.2986 4.2986 4.3742 4.3742 9.8792 9.8792 9.9006 9.9006 10.9745 10.9745 11.1001 11.1001 k = 0.3878 0.3878 0.3072 ( 6248 PWs) bands (ev): -21.0916 -21.0916 -21.0828 -21.0828 -8.7541 -8.7541 -8.7205 -8.7205 -7.8043 -7.8043 -7.7553 -7.7553 -5.9992 -5.9992 -5.8970 -5.8970 -5.7214 -5.7214 -5.6595 -5.6595 2.2841 2.2841 2.5387 2.5387 2.7754 2.7754 3.0769 3.0769 3.2741 3.2741 3.4255 3.4255 4.2945 4.2945 4.3875 4.3875 9.8729 9.8729 9.8947 9.8947 10.9121 10.9121 10.9983 10.9983 k = 0.3776 0.3776 0.3072 ( 6252 PWs) bands (ev): -21.0930 -21.0930 -21.0825 -21.0825 -8.7645 -8.7645 -8.7247 -8.7247 -7.8012 -7.8012 -7.7437 -7.7437 -5.9964 -5.9964 -5.8819 -5.8819 -5.7200 -5.7200 -5.6544 -5.6544 2.2729 2.2729 2.5455 2.5455 2.7633 2.7633 3.0923 3.0923 3.2569 3.2569 3.4277 3.4277 4.2900 4.2900 4.4028 4.4028 9.8678 9.8678 9.8894 9.8894 10.8526 10.8526 10.8973 10.8973 k = 0.3673 0.3673 0.3072 ( 6252 PWs) bands (ev): -21.0944 -21.0944 -21.0823 -21.0823 -8.7752 -8.7752 -8.7286 -8.7286 -7.7982 -7.7982 -7.7318 -7.7318 -5.9935 -5.9935 -5.8662 -5.8662 -5.7181 -5.7181 -5.6494 -5.6494 2.2641 2.2641 2.5517 2.5517 2.7487 2.7487 3.1055 3.1055 3.2421 3.2421 3.4300 3.4300 4.2851 4.2851 4.4200 4.4200 9.8640 9.8640 9.8851 9.8851 10.7930 10.7930 10.8007 10.8007 k = 0.3571 0.3571 0.3072 ( 6248 PWs) bands (ev): -21.0959 -21.0959 -21.0820 -21.0820 -8.7860 -8.7860 -8.7322 -8.7322 -7.7955 -7.7955 -7.7197 -7.7197 -5.9905 -5.9905 -5.8502 -5.8502 -5.7156 -5.7156 -5.6444 -5.6444 2.2578 2.2578 2.5568 2.5568 2.7321 2.7321 3.1160 3.1160 3.2307 3.2307 3.4325 3.4325 4.2799 4.2799 4.4389 4.4389 9.8612 9.8612 9.8820 9.8820 10.6983 10.6983 10.7444 10.7444 k = 0.3469 0.3469 0.3072 ( 6252 PWs) bands (ev): -21.0975 -21.0975 -21.0817 -21.0817 -8.7969 -8.7969 -8.7353 -8.7353 -7.7930 -7.7930 -7.7075 -7.7075 -5.9875 -5.9875 -5.8340 -5.8340 -5.7125 -5.7125 -5.6395 -5.6395 2.2541 2.2541 2.5593 2.5593 2.7147 2.7147 3.1235 3.1235 3.2234 3.2234 3.4352 3.4352 4.2742 4.2742 4.4593 4.4593 9.8592 9.8592 9.8803 9.8803 10.6021 10.6021 10.6953 10.6953 k = 0.3367 0.3367 0.3072 ( 6252 PWs) bands (ev): -21.0992 -21.0992 -21.0814 -21.0814 -8.8076 -8.8076 -8.7380 -8.7380 -7.7908 -7.7908 -7.6953 -7.6953 -5.9845 -5.9845 -5.8178 -5.8178 -5.7087 -5.7087 -5.6348 -5.6348 2.2530 2.2530 2.5574 2.5574 2.6990 2.6990 3.1272 3.1272 3.2209 3.2209 3.4380 3.4380 4.2681 4.2681 4.4810 4.4810 9.8573 9.8573 9.8799 9.8799 10.5083 10.5083 10.6505 10.6505 k = 0.3265 0.3265 0.3072 ( 6248 PWs) bands (ev): -21.1010 -21.1010 -21.0811 -21.0811 -8.8182 -8.8182 -8.7401 -8.7401 -7.7890 -7.7890 -7.6832 -7.6832 -5.9816 -5.9816 -5.8021 -5.8021 -5.7041 -5.7041 -5.6301 -5.6301 2.2547 2.2547 2.5483 2.5483 2.6881 2.6881 3.1273 3.1273 3.2232 3.2232 3.4409 3.4409 4.2616 4.2616 4.5038 4.5038 9.8548 9.8548 9.8809 9.8809 10.4171 10.4171 10.6104 10.6104 k = 0.3163 0.3163 0.3072 ( 6254 PWs) bands (ev): -21.1028 -21.1028 -21.0808 -21.0808 -8.8285 -8.8285 -8.7417 -8.7417 -7.7875 -7.7875 -7.6713 -7.6713 -5.9787 -5.9787 -5.7871 -5.7871 -5.6985 -5.6985 -5.6256 -5.6256 2.2590 2.2590 2.5308 2.5308 2.6841 2.6841 3.1243 3.1243 3.2294 3.2294 3.4440 3.4440 4.2547 4.2547 4.5272 4.5272 9.8503 9.8503 9.8839 9.8839 10.3290 10.3290 10.5749 10.5749 k = 0.3061 0.3061 0.3072 ( 6244 PWs) bands (ev): -21.1047 -21.1047 -21.0804 -21.0804 -8.8385 -8.8385 -8.7426 -8.7426 -7.7865 -7.7865 -7.6595 -7.6595 -5.9759 -5.9759 -5.7733 -5.7733 -5.6916 -5.6916 -5.6211 -5.6211 2.2657 2.2657 2.5061 2.5061 2.6866 2.6866 3.1192 3.1192 3.2384 3.2384 3.4472 3.4472 4.2472 4.2472 4.5513 4.5513 9.8419 9.8419 9.8893 9.8893 10.2442 10.2442 10.5417 10.5417 k = 0.2959 0.2959 0.3072 ( 6228 PWs) bands (ev): -21.1066 -21.1066 -21.0801 -21.0801 -8.8480 -8.8480 -8.7428 -8.7428 -7.7858 -7.7858 -7.6481 -7.6481 -5.9732 -5.9732 -5.7612 -5.7612 -5.6834 -5.6834 -5.6167 -5.6167 2.2747 2.2747 2.4765 2.4765 2.6939 2.6939 3.1128 3.1128 3.2493 3.2493 3.4506 3.4506 4.2392 4.2392 4.5755 4.5755 9.8283 9.8283 9.8975 9.8975 10.1630 10.1630 10.4896 10.4896 k = 0.2857 0.2857 0.3072 ( 6226 PWs) bands (ev): -21.1085 -21.1085 -21.0798 -21.0798 -8.8571 -8.8571 -8.7423 -8.7423 -7.7856 -7.7856 -7.6371 -7.6371 -5.9705 -5.9705 -5.7511 -5.7511 -5.6735 -5.6735 -5.6123 -5.6123 2.2855 2.2855 2.4447 2.4447 2.7045 2.7045 3.1054 3.1054 3.2614 3.2614 3.4542 3.4542 4.2306 4.2306 4.5998 4.5998 9.8086 9.8086 9.9086 9.9086 10.0858 10.0858 10.3935 10.3935 k = 0.2755 0.2755 0.3072 ( 6216 PWs) bands (ev): -21.1105 -21.1105 -21.0794 -21.0794 -8.8657 -8.8657 -8.7412 -8.7412 -7.7858 -7.7858 -7.6265 -7.6265 -5.9679 -5.9679 -5.7431 -5.7431 -5.6622 -5.6622 -5.6079 -5.6079 2.2974 2.2974 2.4126 2.4126 2.7173 2.7173 3.0977 3.0977 3.2742 3.2742 3.4579 3.4579 4.2214 4.2214 4.6240 4.6240 9.7825 9.7825 9.9222 9.9222 10.0130 10.0130 10.2883 10.2883 k = 0.2653 0.2653 0.3072 ( 6220 PWs) bands (ev): -21.1125 -21.1125 -21.0791 -21.0791 -8.8738 -8.8738 -8.7393 -8.7393 -7.7863 -7.7863 -7.6164 -7.6164 -5.9653 -5.9653 -5.7372 -5.7372 -5.6498 -5.6498 -5.6034 -5.6034 2.3085 2.3085 2.3827 2.3827 2.7320 2.7320 3.0900 3.0900 3.2874 3.2874 3.4619 3.4619 4.2116 4.2116 4.6477 4.6477 9.7504 9.7504 9.9294 9.9294 9.9535 9.9535 10.1825 10.1825 k = 0.2551 0.2551 0.3072 ( 6230 PWs) bands (ev): -21.1145 -21.1145 -21.0788 -21.0788 -8.8812 -8.8812 -8.7368 -8.7368 -7.7873 -7.7873 -7.6068 -7.6068 -5.9628 -5.9628 -5.7329 -5.7329 -5.6368 -5.6368 -5.5988 -5.5988 2.3123 2.3123 2.3620 2.3620 2.7480 2.7480 3.0828 3.0828 3.3007 3.3007 3.4659 3.4659 4.2010 4.2010 4.6710 4.6710 9.7130 9.7130 9.8750 9.8750 9.9607 9.9607 10.0792 10.0792 k = 0.2449 0.2449 0.3072 ( 6234 PWs) bands (ev): -21.1166 -21.1166 -21.0784 -21.0784 -8.8881 -8.8881 -8.7335 -8.7335 -7.7886 -7.7886 -7.5977 -7.5977 -5.9603 -5.9603 -5.7302 -5.7302 -5.6235 -5.6235 -5.5941 -5.5941 2.2980 2.2980 2.3614 2.3614 2.7654 2.7654 3.0764 3.0764 3.3139 3.3139 3.4702 3.4702 4.1896 4.1896 4.6936 4.6936 9.6712 9.6712 9.8146 9.8146 9.9501 9.9501 10.0081 10.0081 k = 0.2347 0.2347 0.3072 ( 6226 PWs) bands (ev): -21.1186 -21.1186 -21.0781 -21.0781 -8.8943 -8.8943 -8.7297 -8.7297 -7.7902 -7.7902 -7.5893 -7.5893 -5.9579 -5.9579 -5.7286 -5.7286 -5.6103 -5.6103 -5.5892 -5.5892 2.2742 2.2742 2.3722 2.3722 2.7838 2.7838 3.0715 3.0715 3.3268 3.3268 3.4746 3.4746 4.1774 4.1774 4.7155 4.7155 9.6261 9.6261 9.7571 9.7571 9.8598 9.8598 10.0224 10.0224 k = 0.2245 0.2245 0.3072 ( 6218 PWs) bands (ev): -21.1206 -21.1206 -21.0778 -21.0778 -8.8998 -8.8998 -8.7252 -8.7252 -7.7922 -7.7922 -7.5815 -7.5815 -5.9555 -5.9555 -5.7281 -5.7281 -5.5977 -5.5977 -5.5841 -5.5841 2.2498 2.2498 2.3851 2.3851 2.8033 2.8033 3.0685 3.0685 3.3392 3.3392 3.4792 3.4792 4.1644 4.1644 4.7366 4.7366 9.5786 9.5786 9.7006 9.7006 9.7641 9.7641 10.0503 10.0503 k = 0.2143 0.2143 0.3072 ( 6218 PWs) bands (ev): -21.1226 -21.1226 -21.0775 -21.0775 -8.9047 -8.9047 -8.7202 -8.7202 -7.7944 -7.7944 -7.5743 -7.5743 -5.9531 -5.9531 -5.7284 -5.7284 -5.5859 -5.5859 -5.5785 -5.5785 2.2273 2.2273 2.3974 2.3974 2.8236 2.8236 3.0681 3.0681 3.3509 3.3509 3.4840 3.4840 4.1505 4.1505 4.7569 4.7569 9.5291 9.5291 9.6332 9.6332 9.6853 9.6853 10.0800 10.0800 k = 0.2041 0.2041 0.3072 ( 6222 PWs) bands (ev): -21.1245 -21.1245 -21.0772 -21.0772 -8.9090 -8.9090 -8.7147 -8.7147 -7.7969 -7.7969 -7.5678 -7.5678 -5.9509 -5.9509 -5.7295 -5.7295 -5.5763 -5.5763 -5.5714 -5.5714 2.2074 2.2074 2.4078 2.4078 2.8446 2.8446 3.0706 3.0706 3.3616 3.3616 3.4892 3.4892 4.1358 4.1358 4.7763 4.7763 9.4771 9.4771 9.5479 9.5479 9.6334 9.6334 10.0487 10.0487 k = 0.1939 0.1939 0.3072 ( 6224 PWs) bands (ev): -21.1265 -21.1265 -21.0769 -21.0769 -8.9127 -8.9127 -8.7087 -8.7087 -7.7995 -7.7995 -7.5619 -7.5619 -5.9487 -5.9487 -5.7312 -5.7312 -5.5699 -5.5699 -5.5620 -5.5620 2.1905 2.1905 2.4159 2.4159 2.8657 2.8657 3.0767 3.0767 3.3711 3.3711 3.4949 3.4949 4.1201 4.1201 4.7948 4.7948 9.4169 9.4169 9.4659 9.4659 9.5939 9.5939 9.9965 9.9965 k = 0.1837 0.1837 0.3072 ( 6216 PWs) bands (ev): -21.1284 -21.1284 -21.0766 -21.0766 -8.9157 -8.9157 -8.7023 -8.7023 -7.8022 -7.8022 -7.5568 -7.5568 -5.9466 -5.9466 -5.7333 -5.7333 -5.5644 -5.5644 -5.5525 -5.5525 2.1768 2.1768 2.4212 2.4212 2.8865 2.8865 3.0866 3.0866 3.3790 3.3790 3.5016 3.5016 4.1036 4.1036 4.8126 4.8126 9.3393 9.3393 9.4034 9.4034 9.5613 9.5613 9.9474 9.9474 k = 0.1735 0.1735 0.3072 ( 6236 PWs) bands (ev): -21.1302 -21.1302 -21.0763 -21.0763 -8.9182 -8.9182 -8.6957 -8.6957 -7.8051 -7.8051 -7.5523 -7.5523 -5.9447 -5.9447 -5.7358 -5.7358 -5.5592 -5.5592 -5.5437 -5.5437 2.1665 2.1665 2.4237 2.4237 2.9065 2.9065 3.1003 3.1003 3.3850 3.3850 3.5097 3.5097 4.0862 4.0862 4.8295 4.8295 9.2531 9.2531 9.3534 9.3534 9.5343 9.5343 9.9015 9.9015 k = 0.1633 0.1633 0.3072 ( 6246 PWs) bands (ev): -21.1320 -21.1320 -21.0760 -21.0760 -8.9201 -8.9201 -8.6888 -8.6888 -7.8080 -7.8080 -7.5485 -7.5485 -5.9429 -5.9429 -5.7384 -5.7384 -5.5542 -5.5542 -5.5357 -5.5357 2.1595 2.1595 2.4235 2.4235 2.9252 2.9252 3.1178 3.1178 3.3888 3.3888 3.5195 3.5195 4.0680 4.0680 4.8457 4.8457 9.1672 9.1672 9.3085 9.3085 9.5124 9.5124 9.8589 9.8589 k = 0.1531 0.1531 0.3072 ( 6242 PWs) bands (ev): -21.1337 -21.1337 -21.0758 -21.0758 -8.9215 -8.9215 -8.6817 -8.6817 -7.8109 -7.8109 -7.5453 -7.5453 -5.9412 -5.9412 -5.7412 -5.7412 -5.5495 -5.5495 -5.5285 -5.5285 2.1559 2.1559 2.4209 2.4209 2.9422 2.9422 3.1384 3.1384 3.3901 3.3901 3.5315 3.5315 4.0492 4.0492 4.8611 4.8611 9.0838 9.0838 9.2672 9.2672 9.4953 9.4953 9.8196 9.8196 k = 0.1429 0.1429 0.3072 ( 6238 PWs) bands (ev): -21.1353 -21.1353 -21.0755 -21.0755 -8.9225 -8.9225 -8.6746 -8.6746 -7.8138 -7.8138 -7.5427 -7.5427 -5.9398 -5.9398 -5.7440 -5.7440 -5.5451 -5.5451 -5.5221 -5.5221 2.1554 2.1554 2.4162 2.4162 2.9574 2.9574 3.1612 3.1612 3.3893 3.3893 3.5457 3.5457 4.0297 4.0297 4.8758 4.8758 9.0039 9.0039 9.2293 9.2293 9.4827 9.4827 9.7833 9.7833 k = 0.1327 0.1327 0.3072 ( 6244 PWs) bands (ev): -21.1369 -21.1369 -21.0753 -21.0753 -8.9230 -8.9230 -8.6675 -8.6675 -7.8165 -7.8165 -7.5407 -7.5407 -5.9385 -5.9385 -5.7468 -5.7468 -5.5412 -5.5412 -5.5164 -5.5164 2.1580 2.1580 2.4098 2.4098 2.9707 2.9707 3.1851 3.1851 3.3867 3.3867 3.5622 3.5622 4.0098 4.0098 4.8899 4.8899 8.9279 8.9279 9.1950 9.1950 9.4743 9.4743 9.7502 9.7502 k = 0.1224 0.1224 0.3072 ( 6234 PWs) bands (ev): -21.1383 -21.1383 -21.0751 -21.0751 -8.9232 -8.9232 -8.6605 -8.6605 -7.8192 -7.8192 -7.5392 -7.5392 -5.9375 -5.9375 -5.7494 -5.7494 -5.5377 -5.5377 -5.5112 -5.5112 2.1634 2.1634 2.4022 2.4022 2.9821 2.9821 3.2087 3.2087 3.3832 3.3832 3.5806 3.5806 3.9895 3.9895 4.9032 4.9032 8.8563 8.8563 9.1642 9.1642 9.4697 9.4697 9.7201 9.7201 k = 0.1122 0.1122 0.3072 ( 6238 PWs) bands (ev): -21.1397 -21.1397 -21.0749 -21.0749 -8.9231 -8.9231 -8.6537 -8.6537 -7.8217 -7.8217 -7.5382 -7.5382 -5.9366 -5.9366 -5.7517 -5.7517 -5.5347 -5.5347 -5.5066 -5.5066 2.1714 2.1714 2.3939 2.3939 2.9915 2.9915 3.2307 3.2307 3.3797 3.3797 3.6007 3.6007 3.9691 3.9691 4.9157 4.9157 8.7893 8.7893 9.1372 9.1372 9.4684 9.4684 9.6932 9.6932 k = 0.1020 0.1020 0.3072 ( 6250 PWs) bands (ev): -21.1410 -21.1410 -21.0747 -21.0747 -8.9227 -8.9227 -8.6471 -8.6471 -7.8240 -7.8240 -7.5377 -7.5377 -5.9360 -5.9360 -5.7538 -5.7538 -5.5323 -5.5323 -5.5025 -5.5025 2.1817 2.1817 2.3850 2.3850 2.9989 2.9989 3.2496 3.2496 3.3778 3.3778 3.6218 3.6218 3.9489 3.9489 4.9275 4.9275 8.7272 8.7272 9.1138 9.1138 9.4700 9.4700 9.6693 9.6693 k = 0.0918 0.0918 0.3072 ( 6250 PWs) bands (ev): -21.1421 -21.1421 -21.0745 -21.0745 -8.9222 -8.9222 -8.6409 -8.6409 -7.8261 -7.8261 -7.5375 -7.5375 -5.9356 -5.9356 -5.7557 -5.7557 -5.5305 -5.5305 -5.4987 -5.4987 2.1938 2.1938 2.3760 2.3760 3.0041 3.0041 3.2637 3.2637 3.3790 3.3790 3.6434 3.6434 3.9290 3.9290 4.9385 4.9385 8.6702 8.6702 9.0941 9.0941 9.4737 9.4737 9.6487 9.6487 k = 0.0816 0.0816 0.3072 ( 6246 PWs) bands (ev): -21.1432 -21.1432 -21.0744 -21.0744 -8.9215 -8.9215 -8.6352 -8.6352 -7.8279 -7.8279 -7.5375 -7.5375 -5.9353 -5.9353 -5.7573 -5.7573 -5.5291 -5.5291 -5.4954 -5.4954 2.2074 2.2074 2.3672 2.3672 3.0071 3.0071 3.2723 3.2723 3.3847 3.3847 3.6647 3.6647 3.9099 3.9099 4.9486 4.9486 8.6186 8.6186 9.0779 9.0779 9.4789 9.4789 9.6313 9.6313 k = 0.0714 0.0714 0.3072 ( 6246 PWs) bands (ev): -21.1441 -21.1441 -21.0742 -21.0742 -8.9207 -8.9207 -8.6299 -8.6299 -7.8296 -7.8296 -7.5378 -7.5378 -5.9352 -5.9352 -5.7586 -5.7586 -5.5281 -5.5281 -5.4923 -5.4923 2.2219 2.2219 2.3587 2.3587 3.0078 3.0078 3.2758 3.2758 3.3944 3.3944 3.6849 3.6849 3.8920 3.8920 4.9578 4.9578 8.5725 8.5725 9.0649 9.0649 9.4847 9.4847 9.6174 9.6174 k = 0.0612 0.0612 0.3072 ( 6246 PWs) bands (ev): -21.1450 -21.1450 -21.0741 -21.0741 -8.9199 -8.9199 -8.6252 -8.6252 -7.8310 -7.8310 -7.5383 -7.5383 -5.9352 -5.9352 -5.7596 -5.7596 -5.5276 -5.5276 -5.4897 -5.4897 2.2367 2.2367 2.3507 2.3507 3.0066 3.0066 3.2760 3.2760 3.4065 3.4065 3.7030 3.7030 3.8758 3.8758 4.9659 4.9659 8.5323 8.5323 9.0549 9.0549 9.4902 9.4902 9.6072 9.6072 k = 0.0510 0.0510 0.3072 ( 6246 PWs) bands (ev): -21.1457 -21.1457 -21.0740 -21.0740 -8.9192 -8.9192 -8.6211 -8.6211 -7.8321 -7.8321 -7.5388 -7.5388 -5.9352 -5.9352 -5.7604 -5.7604 -5.5273 -5.5273 -5.4874 -5.4874 2.2514 2.2514 2.3433 2.3433 3.0037 3.0037 3.2747 3.2747 3.4195 3.4195 3.7182 3.7182 3.8622 3.8622 4.9729 4.9729 8.4979 8.4979 9.0473 9.0473 9.4947 9.4947 9.6005 9.6005 k = 0.0408 0.0408 0.3072 ( 6238 PWs) bands (ev): -21.1462 -21.1462 -21.0739 -21.0739 -8.9185 -8.9185 -8.6177 -8.6177 -7.8331 -7.8331 -7.5394 -7.5394 -5.9353 -5.9353 -5.7610 -5.7610 -5.5271 -5.5271 -5.4855 -5.4855 2.2652 2.2652 2.3365 2.3365 2.9999 2.9999 3.2729 3.2729 3.4318 3.4318 3.7297 3.7297 3.8516 3.8516 4.9788 4.9788 8.4695 8.4695 9.0420 9.0420 9.4978 9.4978 9.5970 9.5970 k = 0.0306 0.0306 0.3072 ( 6236 PWs) bands (ev): -21.1467 -21.1467 -21.0739 -21.0739 -8.9179 -8.9179 -8.6151 -8.6151 -7.8338 -7.8338 -7.5398 -7.5398 -5.9354 -5.9354 -5.7614 -5.7614 -5.5271 -5.5271 -5.4840 -5.4840 2.2778 2.2778 2.3304 2.3304 2.9958 2.9958 3.2713 3.2713 3.4426 3.4426 3.7372 3.7372 3.8446 3.8446 4.9834 4.9834 8.4474 8.4474 9.0383 9.0383 9.4995 9.4995 9.5960 9.5960 k = 0.0204 0.0204 0.3072 ( 6244 PWs) bands (ev): -21.1470 -21.1470 -21.0738 -21.0738 -8.9175 -8.9175 -8.6131 -8.6131 -7.8343 -7.8343 -7.5402 -7.5402 -5.9355 -5.9355 -5.7617 -5.7617 -5.5272 -5.5272 -5.4830 -5.4830 2.2884 2.2884 2.3247 2.3247 2.9921 2.9921 3.2701 3.2701 3.4509 3.4509 3.7410 3.7410 3.8408 3.8408 4.9867 4.9867 8.4315 8.4315 9.0361 9.0361 9.5002 9.5002 9.5964 9.5964 k = 0.0102 0.0102 0.3072 ( 6240 PWs) bands (ev): -21.1472 -21.1472 -21.0738 -21.0738 -8.9172 -8.9172 -8.6120 -8.6120 -7.8346 -7.8346 -7.5405 -7.5405 -5.9356 -5.9356 -5.7619 -5.7619 -5.5272 -5.5272 -5.4823 -5.4823 2.2965 2.2965 2.3198 2.3198 2.9897 2.9897 3.2694 3.2694 3.4562 3.4562 3.7425 3.7425 3.8392 3.8392 4.9888 4.9888 8.4219 8.4219 9.0348 9.0348 9.5004 9.5004 9.5971 9.5971 k = 0.0000 0.0000 0.3072 ( 6232 PWs) bands (ev): -21.1473 -21.1473 -21.0738 -21.0738 -8.9171 -8.9171 -8.6116 -8.6116 -7.8347 -7.8347 -7.5405 -7.5405 -5.9356 -5.9356 -5.7619 -5.7619 -5.5273 -5.5273 -5.4821 -5.4821 2.3000 2.3000 2.3174 2.3174 2.9888 2.9888 3.2691 3.2691 3.4580 3.4580 3.7428 3.7428 3.8388 3.8388 4.9894 4.9894 8.4187 8.4187 9.0344 9.0344 9.5004 9.5004 9.5974 9.5974 k = 0.0000 0.5000-0.0000 ( 6216 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8601 -8.8601 -8.8601 -8.8601 -7.6689 -7.6689 -7.6689 -7.6689 -5.8491 -5.8491 -5.8491 -5.8491 -5.5513 -5.5513 -5.5513 -5.5513 2.2816 2.2816 2.2816 2.2816 3.0194 3.0194 3.0194 3.0194 3.2501 3.2501 3.2501 3.2501 4.5918 4.5918 4.5918 4.5918 9.3141 9.3141 9.3141 9.3141 9.4471 9.4471 9.4471 9.4471 k = 0.0000 0.5000 0.0140 ( 6212 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8603 -8.8603 -8.8603 -8.8603 -7.6687 -7.6687 -7.6687 -7.6687 -5.8488 -5.8488 -5.8488 -5.8488 -5.5514 -5.5514 -5.5514 -5.5514 2.2802 2.2802 2.2802 2.2802 3.0196 3.0196 3.0196 3.0196 3.2506 3.2506 3.2506 3.2506 4.5911 4.5911 4.5911 4.5911 9.3179 9.3179 9.3179 9.3179 9.4490 9.4490 9.4490 9.4490 k = 0.0000 0.5000 0.0279 ( 6210 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8608 -8.8608 -8.8608 -8.8608 -7.6681 -7.6681 -7.6681 -7.6681 -5.8480 -5.8480 -5.8480 -5.8480 -5.5519 -5.5519 -5.5519 -5.5519 2.2763 2.2763 2.2763 2.2763 3.0201 3.0201 3.0201 3.0201 3.2522 3.2522 3.2522 3.2522 4.5893 4.5893 4.5893 4.5893 9.3294 9.3294 9.3294 9.3294 9.4547 9.4547 9.4547 9.4547 k = 0.0000 0.5000 0.0419 ( 6206 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8616 -8.8616 -8.8616 -8.8616 -7.6672 -7.6672 -7.6672 -7.6672 -5.8467 -5.8467 -5.8467 -5.8467 -5.5527 -5.5527 -5.5527 -5.5527 2.2699 2.2699 2.2699 2.2699 3.0209 3.0209 3.0209 3.0209 3.2547 3.2547 3.2547 3.2547 4.5863 4.5863 4.5863 4.5863 9.3479 9.3479 9.3479 9.3479 9.4643 9.4643 9.4643 9.4643 k = 0.0000 0.5000 0.0559 ( 6222 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8627 -8.8627 -8.8627 -8.8627 -7.6660 -7.6660 -7.6660 -7.6660 -5.8449 -5.8449 -5.8449 -5.8449 -5.5537 -5.5537 -5.5537 -5.5537 2.2613 2.2613 2.2613 2.2613 3.0218 3.0218 3.0218 3.0218 3.2581 3.2581 3.2581 3.2581 4.5822 4.5822 4.5822 4.5822 9.3727 9.3727 9.3727 9.3727 9.4778 9.4778 9.4778 9.4778 k = 0.0000 0.5000 0.0698 ( 6246 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8641 -8.8641 -8.8641 -8.8641 -7.6644 -7.6644 -7.6644 -7.6644 -5.8427 -5.8427 -5.8427 -5.8427 -5.5551 -5.5551 -5.5551 -5.5551 2.2506 2.2506 2.2506 2.2506 3.0229 3.0229 3.0229 3.0229 3.2622 3.2622 3.2622 3.2622 4.5772 4.5772 4.5772 4.5772 9.4027 9.4027 9.4027 9.4027 9.4955 9.4955 9.4955 9.4955 k = 0.0000 0.5000 0.0838 ( 6238 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8657 -8.8657 -8.8657 -8.8657 -7.6626 -7.6626 -7.6626 -7.6626 -5.8400 -5.8400 -5.8400 -5.8400 -5.5567 -5.5567 -5.5567 -5.5567 2.2383 2.2383 2.2383 2.2383 3.0239 3.0239 3.0239 3.0239 3.2671 3.2671 3.2671 3.2671 4.5715 4.5715 4.5715 4.5715 9.4361 9.4361 9.4361 9.4361 9.5177 9.5177 9.5177 9.5177 k = 0.0000 0.5000 0.0978 ( 6238 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8675 -8.8675 -8.8675 -8.8675 -7.6605 -7.6605 -7.6605 -7.6605 -5.8369 -5.8369 -5.8369 -5.8369 -5.5586 -5.5586 -5.5586 -5.5586 2.2245 2.2245 2.2245 2.2245 3.0250 3.0250 3.0250 3.0250 3.2725 3.2725 3.2725 3.2725 4.5653 4.5653 4.5653 4.5653 9.4709 9.4709 9.4709 9.4709 9.5448 9.5448 9.5448 9.5448 k = 0.0000 0.5000 0.1117 ( 6234 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8695 -8.8695 -8.8695 -8.8695 -7.6583 -7.6583 -7.6583 -7.6583 -5.8335 -5.8335 -5.8335 -5.8335 -5.5607 -5.5607 -5.5607 -5.5607 2.2097 2.2097 2.2097 2.2097 3.0259 3.0259 3.0259 3.0259 3.2782 3.2782 3.2782 3.2782 4.5587 4.5587 4.5587 4.5587 9.5053 9.5053 9.5053 9.5053 9.5764 9.5764 9.5764 9.5764 k = 0.0000 0.5000 0.1257 ( 6242 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8716 -8.8716 -8.8716 -8.8716 -7.6559 -7.6559 -7.6559 -7.6559 -5.8298 -5.8298 -5.8298 -5.8298 -5.5631 -5.5631 -5.5631 -5.5631 2.1943 2.1943 2.1943 2.1943 3.0266 3.0266 3.0266 3.0266 3.2841 3.2841 3.2841 3.2841 4.5519 4.5519 4.5519 4.5519 9.5387 9.5387 9.5387 9.5387 9.6111 9.6111 9.6111 9.6111 k = 0.0000 0.5000 0.1396 ( 6240 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8738 -8.8738 -8.8738 -8.8738 -7.6534 -7.6534 -7.6534 -7.6534 -5.8258 -5.8258 -5.8258 -5.8258 -5.5656 -5.5656 -5.5656 -5.5656 2.1785 2.1785 2.1785 2.1785 3.0272 3.0272 3.0272 3.0272 3.2900 3.2900 3.2900 3.2900 4.5452 4.5452 4.5452 4.5452 9.5711 9.5711 9.5711 9.5711 9.6465 9.6465 9.6465 9.6465 k = 0.0000 0.5000 0.1536 ( 6246 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8760 -8.8760 -8.8760 -8.8760 -7.6509 -7.6509 -7.6509 -7.6509 -5.8217 -5.8217 -5.8217 -5.8217 -5.5682 -5.5682 -5.5682 -5.5682 2.1627 2.1627 2.1627 2.1627 3.0276 3.0276 3.0276 3.0276 3.2958 3.2958 3.2958 3.2958 4.5386 4.5386 4.5386 4.5386 9.6030 9.6030 9.6030 9.6030 9.6801 9.6801 9.6801 9.6801 k = 0.0000 0.5000 0.1676 ( 6240 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8783 -8.8783 -8.8783 -8.8783 -7.6484 -7.6484 -7.6484 -7.6484 -5.8174 -5.8174 -5.8174 -5.8174 -5.5710 -5.5710 -5.5710 -5.5710 2.1471 2.1471 2.1471 2.1471 3.0278 3.0278 3.0278 3.0278 3.3013 3.3013 3.3013 3.3013 4.5324 4.5324 4.5324 4.5324 9.6345 9.6345 9.6345 9.6345 9.7106 9.7106 9.7106 9.7106 k = 0.0000 0.5000 0.1815 ( 6224 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8804 -8.8804 -8.8804 -8.8804 -7.6460 -7.6460 -7.6460 -7.6460 -5.8131 -5.8131 -5.8131 -5.8131 -5.5738 -5.5738 -5.5738 -5.5738 2.1322 2.1322 2.1322 2.1322 3.0279 3.0279 3.0279 3.0279 3.3065 3.3065 3.3065 3.3065 4.5266 4.5266 4.5266 4.5266 9.6653 9.6653 9.6653 9.6653 9.7374 9.7374 9.7374 9.7374 k = 0.0000 0.5000 0.1955 ( 6224 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8825 -8.8825 -8.8825 -8.8825 -7.6436 -7.6436 -7.6436 -7.6436 -5.8089 -5.8089 -5.8089 -5.8089 -5.5765 -5.5765 -5.5765 -5.5765 2.1181 2.1181 2.1181 2.1181 3.0279 3.0279 3.0279 3.0279 3.3113 3.3113 3.3113 3.3113 4.5213 4.5213 4.5213 4.5213 9.6948 9.6948 9.6948 9.6948 9.7608 9.7608 9.7608 9.7608 k = 0.0000 0.5000 0.2095 ( 6232 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8844 -8.8844 -8.8844 -8.8844 -7.6415 -7.6415 -7.6415 -7.6415 -5.8049 -5.8049 -5.8049 -5.8049 -5.5792 -5.5792 -5.5792 -5.5792 2.1051 2.1051 2.1051 2.1051 3.0277 3.0277 3.0277 3.0277 3.3156 3.3156 3.3156 3.3156 4.5166 4.5166 4.5166 4.5166 9.7218 9.7218 9.7218 9.7218 9.7818 9.7818 9.7818 9.7818 k = 0.0000 0.5000 0.2234 ( 6232 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8862 -8.8862 -8.8862 -8.8862 -7.6395 -7.6395 -7.6395 -7.6395 -5.8011 -5.8011 -5.8011 -5.8011 -5.5818 -5.5818 -5.5818 -5.5818 2.0934 2.0934 2.0934 2.0934 3.0275 3.0275 3.0275 3.0275 3.3193 3.3193 3.3193 3.3193 4.5125 4.5125 4.5125 4.5125 9.7450 9.7450 9.7450 9.7450 9.8015 9.8015 9.8015 9.8015 k = 0.0000 0.5000 0.2374 ( 6234 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8877 -8.8877 -8.8877 -8.8877 -7.6377 -7.6377 -7.6377 -7.6377 -5.7977 -5.7977 -5.7977 -5.7977 -5.5841 -5.5841 -5.5841 -5.5841 2.0832 2.0832 2.0832 2.0832 3.0273 3.0273 3.0273 3.0273 3.3224 3.3224 3.3224 3.3224 4.5091 4.5091 4.5091 4.5091 9.7636 9.7636 9.7636 9.7636 9.8206 9.8206 9.8206 9.8206 k = 0.0000 0.5000 0.2514 ( 6240 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8890 -8.8890 -8.8890 -8.8890 -7.6363 -7.6363 -7.6363 -7.6363 -5.7948 -5.7948 -5.7948 -5.7948 -5.5862 -5.5862 -5.5862 -5.5862 2.0746 2.0746 2.0746 2.0746 3.0271 3.0271 3.0271 3.0271 3.3250 3.3250 3.3250 3.3250 4.5063 4.5063 4.5063 4.5063 9.7772 9.7772 9.7772 9.7772 9.8389 9.8389 9.8389 9.8389 k = 0.0000 0.5000 0.2653 ( 6240 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8901 -8.8901 -8.8901 -8.8901 -7.6351 -7.6351 -7.6351 -7.6351 -5.7924 -5.7924 -5.7924 -5.7924 -5.5879 -5.5879 -5.5879 -5.5879 2.0678 2.0678 2.0678 2.0678 3.0269 3.0269 3.0269 3.0269 3.3270 3.3270 3.3270 3.3270 4.5041 4.5041 4.5041 4.5041 9.7868 9.7868 9.7868 9.7868 9.8550 9.8550 9.8550 9.8550 k = 0.0000 0.5000 0.2793 ( 6228 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8908 -8.8908 -8.8908 -8.8908 -7.6342 -7.6342 -7.6342 -7.6342 -5.7906 -5.7906 -5.7906 -5.7906 -5.5891 -5.5891 -5.5891 -5.5891 2.0629 2.0629 2.0629 2.0629 3.0268 3.0268 3.0268 3.0268 3.3284 3.3284 3.3284 3.3284 4.5026 4.5026 4.5026 4.5026 9.7931 9.7931 9.7931 9.7931 9.8676 9.8676 9.8676 9.8676 k = 0.0000 0.5000 0.2933 ( 6224 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8913 -8.8913 -8.8913 -8.8913 -7.6337 -7.6337 -7.6337 -7.6337 -5.7895 -5.7895 -5.7895 -5.7895 -5.5899 -5.5899 -5.5899 -5.5899 2.0599 2.0599 2.0599 2.0599 3.0267 3.0267 3.0267 3.0267 3.3293 3.3293 3.3293 3.3293 4.5016 4.5016 4.5016 4.5016 9.7966 9.7966 9.7966 9.7966 9.8756 9.8756 9.8756 9.8756 k = 0.0000 0.5000 0.3072 ( 6232 PWs) bands (ev): -21.0968 -21.0968 -21.0968 -21.0968 -8.8914 -8.8914 -8.8914 -8.8914 -7.6335 -7.6335 -7.6335 -7.6335 -5.7891 -5.7891 -5.7891 -5.7891 -5.5901 -5.5901 -5.5901 -5.5901 2.0589 2.0589 2.0589 2.0589 3.0266 3.0266 3.0266 3.0266 3.3296 3.3296 3.3296 3.3296 4.5013 4.5013 4.5013 4.5013 9.7977 9.7977 9.7977 9.7977 9.8783 9.8783 9.8783 9.8783 k = 0.5000 0.5000-0.0000 ( 6252 PWs) bands (ev): -21.0842 -21.0842 -21.0842 -21.0842 -8.6568 -8.6568 -8.6568 -8.6568 -7.8527 -7.8527 -7.8527 -7.8527 -6.0201 -6.0201 -6.0201 -6.0201 -5.7237 -5.7237 -5.7237 -5.7237 2.5261 2.5261 2.5261 2.5261 3.0440 3.0440 3.0440 3.0440 3.4100 3.4100 3.4100 3.4100 4.2965 4.2965 4.2965 4.2965 8.8885 8.8885 8.8885 8.8885 11.5257 11.5257 11.5257 11.5257 k = 0.5000 0.5000 0.0140 ( 6260 PWs) bands (ev): -21.0842 -21.0842 -21.0842 -21.0842 -8.6569 -8.6569 -8.6569 -8.6569 -7.8526 -7.8526 -7.8526 -7.8526 -6.0200 -6.0200 -6.0200 -6.0200 -5.7237 -5.7237 -5.7237 -5.7237 2.5258 2.5258 2.5258 2.5258 3.0432 3.0432 3.0432 3.0432 3.4098 3.4098 3.4098 3.4098 4.2966 4.2966 4.2966 4.2966 8.8931 8.8931 8.8931 8.8931 11.5263 11.5263 11.5263 11.5263 k = 0.5000 0.5000 0.0279 ( 6268 PWs) bands (ev): -21.0842 -21.0842 -21.0842 -21.0842 -8.6574 -8.6574 -8.6574 -8.6574 -7.8522 -7.8522 -7.8522 -7.8522 -6.0197 -6.0197 -6.0197 -6.0197 -5.7235 -5.7235 -5.7235 -5.7235 2.5248 2.5248 2.5248 2.5248 3.0407 3.0407 3.0407 3.0407 3.4092 3.4092 3.4092 3.4092 4.2970 4.2970 4.2970 4.2970 8.9067 8.9067 8.9067 8.9067 11.5282 11.5282 11.5282 11.5282 k = 0.5000 0.5000 0.0419 ( 6260 PWs) bands (ev): -21.0842 -21.0842 -21.0842 -21.0842 -8.6582 -8.6582 -8.6582 -8.6582 -7.8516 -7.8516 -7.8516 -7.8516 -6.0192 -6.0192 -6.0192 -6.0192 -5.7231 -5.7231 -5.7231 -5.7231 2.5231 2.5231 2.5231 2.5231 3.0367 3.0367 3.0367 3.0367 3.4082 3.4082 3.4082 3.4082 4.2976 4.2976 4.2976 4.2976 8.9292 8.9292 8.9292 8.9292 11.5312 11.5312 11.5312 11.5312 k = 0.5000 0.5000 0.0559 ( 6252 PWs) bands (ev): -21.0842 -21.0842 -21.0842 -21.0842 -8.6593 -8.6593 -8.6593 -8.6593 -7.8507 -7.8507 -7.8507 -7.8507 -6.0186 -6.0186 -6.0186 -6.0186 -5.7226 -5.7226 -5.7226 -5.7226 2.5209 2.5209 2.5209 2.5209 3.0311 3.0311 3.0311 3.0311 3.4070 3.4070 3.4070 3.4070 4.2985 4.2985 4.2985 4.2985 8.9602 8.9602 8.9602 8.9602 11.5355 11.5355 11.5355 11.5355 k = 0.5000 0.5000 0.0698 ( 6252 PWs) bands (ev): -21.0842 -21.0842 -21.0842 -21.0842 -8.6606 -8.6606 -8.6606 -8.6606 -7.8497 -7.8497 -7.8497 -7.8497 -6.0178 -6.0178 -6.0178 -6.0178 -5.7220 -5.7220 -5.7220 -5.7220 2.5181 2.5181 2.5181 2.5181 3.0239 3.0239 3.0239 3.0239 3.4058 3.4058 3.4058 3.4058 4.2997 4.2997 4.2997 4.2997 8.9994 8.9994 8.9994 8.9994 11.5409 11.5409 11.5409 11.5409 k = 0.5000 0.5000 0.0838 ( 6228 PWs) bands (ev): -21.0842 -21.0842 -21.0842 -21.0842 -8.6622 -8.6622 -8.6622 -8.6622 -7.8484 -7.8484 -7.8484 -7.8484 -6.0168 -6.0168 -6.0168 -6.0168 -5.7213 -5.7213 -5.7213 -5.7213 2.5148 2.5148 2.5148 2.5148 3.0152 3.0152 3.0152 3.0152 3.4046 3.4046 3.4046 3.4046 4.3010 4.3010 4.3010 4.3010 9.0461 9.0461 9.0461 9.0461 11.5474 11.5474 11.5474 11.5474 k = 0.5000 0.5000 0.0978 ( 6236 PWs) bands (ev): -21.0842 -21.0842 -21.0842 -21.0842 -8.6640 -8.6640 -8.6640 -8.6640 -7.8470 -7.8470 -7.8470 -7.8470 -6.0157 -6.0157 -6.0157 -6.0157 -5.7204 -5.7204 -5.7204 -5.7204 2.5110 2.5110 2.5110 2.5110 3.0052 3.0052 3.0052 3.0052 3.4036 3.4036 3.4036 3.4036 4.3025 4.3025 4.3025 4.3025 9.0997 9.0997 9.0997 9.0997 11.5549 11.5549 11.5549 11.5549 k = 0.5000 0.5000 0.1117 ( 6212 PWs) bands (ev): -21.0842 -21.0842 -21.0842 -21.0842 -8.6659 -8.6659 -8.6659 -8.6659 -7.8455 -7.8455 -7.8455 -7.8455 -6.0146 -6.0146 -6.0146 -6.0146 -5.7195 -5.7195 -5.7195 -5.7195 2.5069 2.5069 2.5069 2.5069 2.9940 2.9940 2.9940 2.9940 3.4029 3.4029 3.4029 3.4029 4.3043 4.3043 4.3043 4.3043 9.1594 9.1594 9.1594 9.1594 11.5633 11.5633 11.5633 11.5633 k = 0.5000 0.5000 0.1257 ( 6212 PWs) bands (ev): -21.0842 -21.0842 -21.0842 -21.0842 -8.6680 -8.6680 -8.6680 -8.6680 -7.8438 -7.8438 -7.8438 -7.8438 -6.0134 -6.0134 -6.0134 -6.0134 -5.7185 -5.7185 -5.7185 -5.7185 2.5025 2.5025 2.5025 2.5025 2.9818 2.9818 2.9818 2.9818 3.4025 3.4025 3.4025 3.4025 4.3061 4.3061 4.3061 4.3061 9.2244 9.2244 9.2244 9.2244 11.5726 11.5726 11.5726 11.5726 k = 0.5000 0.5000 0.1396 ( 6228 PWs) bands (ev): -21.0842 -21.0842 -21.0842 -21.0842 -8.6701 -8.6701 -8.6701 -8.6701 -7.8421 -7.8421 -7.8421 -7.8421 -6.0121 -6.0121 -6.0121 -6.0121 -5.7174 -5.7174 -5.7174 -5.7174 2.4978 2.4978 2.4978 2.4978 2.9689 2.9689 2.9689 2.9689 3.4025 3.4025 3.4025 3.4025 4.3080 4.3080 4.3080 4.3080 9.2936 9.2936 9.2936 9.2936 11.5826 11.5826 11.5826 11.5826 k = 0.5000 0.5000 0.1536 ( 6232 PWs) bands (ev): -21.0842 -21.0842 -21.0842 -21.0842 -8.6723 -8.6723 -8.6723 -8.6723 -7.8404 -7.8404 -7.8404 -7.8404 -6.0108 -6.0108 -6.0108 -6.0108 -5.7163 -5.7163 -5.7163 -5.7163 2.4931 2.4931 2.4931 2.4931 2.9555 2.9555 2.9555 2.9555 3.4029 3.4029 3.4029 3.4029 4.3100 4.3100 4.3100 4.3100 9.3659 9.3659 9.3659 9.3659 11.5931 11.5931 11.5931 11.5931 k = 0.5000 0.5000 0.1676 ( 6216 PWs) bands (ev): -21.0842 -21.0842 -21.0842 -21.0842 -8.6745 -8.6745 -8.6745 -8.6745 -7.8387 -7.8387 -7.8387 -7.8387 -6.0096 -6.0096 -6.0096 -6.0096 -5.7152 -5.7152 -5.7152 -5.7152 2.4883 2.4883 2.4883 2.4883 2.9421 2.9421 2.9421 2.9421 3.4036 3.4036 3.4036 3.4036 4.3121 4.3121 4.3121 4.3121 9.4401 9.4401 9.4401 9.4401 11.6040 11.6040 11.6040 11.6040 k = 0.5000 0.5000 0.1815 ( 6236 PWs) bands (ev): -21.0842 -21.0842 -21.0842 -21.0842 -8.6766 -8.6766 -8.6766 -8.6766 -7.8370 -7.8370 -7.8370 -7.8370 -6.0084 -6.0084 -6.0084 -6.0084 -5.7141 -5.7141 -5.7141 -5.7141 2.4836 2.4836 2.4836 2.4836 2.9289 2.9289 2.9289 2.9289 3.4045 3.4045 3.4045 3.4045 4.3141 4.3141 4.3141 4.3141 9.5149 9.5149 9.5149 9.5149 11.6152 11.6152 11.6152 11.6152 k = 0.5000 0.5000 0.1955 ( 6252 PWs) bands (ev): -21.0842 -21.0842 -21.0842 -21.0842 -8.6786 -8.6786 -8.6786 -8.6786 -7.8355 -7.8355 -7.8355 -7.8355 -6.0072 -6.0072 -6.0072 -6.0072 -5.7130 -5.7130 -5.7130 -5.7130 2.4790 2.4790 2.4790 2.4790 2.9161 2.9161 2.9161 2.9161 3.4056 3.4056 3.4056 3.4056 4.3161 4.3161 4.3161 4.3161 9.5887 9.5887 9.5887 9.5887 11.6264 11.6264 11.6264 11.6264 k = 0.5000 0.5000 0.2095 ( 6252 PWs) bands (ev): -21.0842 -21.0842 -21.0842 -21.0842 -8.6805 -8.6805 -8.6805 -8.6805 -7.8340 -7.8340 -7.8340 -7.8340 -6.0061 -6.0061 -6.0061 -6.0061 -5.7120 -5.7120 -5.7120 -5.7120 2.4747 2.4747 2.4747 2.4747 2.9042 2.9042 2.9042 2.9042 3.4068 3.4068 3.4068 3.4068 4.3179 4.3179 4.3179 4.3179 9.6601 9.6601 9.6601 9.6601 11.6373 11.6373 11.6373 11.6373 k = 0.5000 0.5000 0.2234 ( 6252 PWs) bands (ev): -21.0841 -21.0841 -21.0841 -21.0841 -8.6822 -8.6822 -8.6822 -8.6822 -7.8327 -7.8327 -7.8327 -7.8327 -6.0052 -6.0052 -6.0052 -6.0052 -5.7110 -5.7110 -5.7110 -5.7110 2.4707 2.4707 2.4707 2.4707 2.8934 2.8934 2.8934 2.8934 3.4081 3.4081 3.4081 3.4081 4.3196 4.3196 4.3196 4.3196 9.7271 9.7271 9.7271 9.7271 11.6476 11.6476 11.6476 11.6476 k = 0.5000 0.5000 0.2374 ( 6244 PWs) bands (ev): -21.0841 -21.0841 -21.0841 -21.0841 -8.6837 -8.6837 -8.6837 -8.6837 -7.8315 -7.8315 -7.8315 -7.8315 -6.0043 -6.0043 -6.0043 -6.0043 -5.7102 -5.7102 -5.7102 -5.7102 2.4672 2.4672 2.4672 2.4672 2.8838 2.8838 2.8838 2.8838 3.4093 3.4093 3.4093 3.4093 4.3212 4.3212 4.3212 4.3212 9.7881 9.7881 9.7881 9.7881 11.6570 11.6570 11.6570 11.6570 k = 0.5000 0.5000 0.2514 ( 6236 PWs) bands (ev): -21.0841 -21.0841 -21.0841 -21.0841 -8.6850 -8.6850 -8.6850 -8.6850 -7.8305 -7.8305 -7.8305 -7.8305 -6.0036 -6.0036 -6.0036 -6.0036 -5.7095 -5.7095 -5.7095 -5.7095 2.4642 2.4642 2.4642 2.4642 2.8758 2.8758 2.8758 2.8758 3.4103 3.4103 3.4103 3.4103 4.3225 4.3225 4.3225 4.3225 9.8413 9.8413 9.8413 9.8413 11.6651 11.6651 11.6651 11.6651 k = 0.5000 0.5000 0.2653 ( 6260 PWs) bands (ev): -21.0841 -21.0841 -21.0841 -21.0841 -8.6860 -8.6860 -8.6860 -8.6860 -7.8297 -7.8297 -7.8297 -7.8297 -6.0030 -6.0030 -6.0030 -6.0030 -5.7089 -5.7089 -5.7089 -5.7089 2.4617 2.4617 2.4617 2.4617 2.8693 2.8693 2.8693 2.8693 3.4112 3.4112 3.4112 3.4112 4.3235 4.3235 4.3235 4.3235 9.8849 9.8849 9.8849 9.8849 11.6710 11.6710 11.6710 11.6710 k = 0.5000 0.5000 0.2793 ( 6248 PWs) bands (ev): -21.0841 -21.0841 -21.0841 -21.0841 -8.6867 -8.6867 -8.6867 -8.6867 -7.8291 -7.8291 -7.8291 -7.8291 -6.0026 -6.0026 -6.0026 -6.0026 -5.7084 -5.7084 -5.7084 -5.7084 2.4599 2.4599 2.4599 2.4599 2.8646 2.8646 2.8646 2.8646 3.4119 3.4119 3.4119 3.4119 4.3243 4.3243 4.3243 4.3243 9.9174 9.9174 9.9174 9.9174 11.6745 11.6745 11.6745 11.6745 k = 0.5000 0.5000 0.2933 ( 6248 PWs) bands (ev): -21.0841 -21.0841 -21.0841 -21.0841 -8.6871 -8.6871 -8.6871 -8.6871 -7.8288 -7.8288 -7.8288 -7.8288 -6.0024 -6.0024 -6.0024 -6.0024 -5.7082 -5.7082 -5.7082 -5.7082 2.4589 2.4589 2.4589 2.4589 2.8618 2.8618 2.8618 2.8618 3.4123 3.4123 3.4123 3.4123 4.3247 4.3247 4.3247 4.3247 9.9374 9.9374 9.9374 9.9374 11.6757 11.6757 11.6757 11.6757 k = 0.5000 0.5000 0.3072 ( 6256 PWs) bands (ev): -21.0841 -21.0841 -21.0841 -21.0841 -8.6873 -8.6873 -8.6873 -8.6873 -7.8287 -7.8287 -7.8287 -7.8287 -6.0023 -6.0023 -6.0023 -6.0023 -5.7081 -5.7081 -5.7081 -5.7081 2.4585 2.4585 2.4585 2.4585 2.8608 2.8608 2.8608 2.8608 3.4124 3.4124 3.4124 3.4124 4.3249 4.3249 4.3249 4.3249 9.9442 9.9442 9.9442 9.9442 11.6758 11.6758 11.6758 11.6758 Writing output data file BaHBr.save init_run : 0.23s CPU 0.34s WALL ( 1 calls) electrons : 126.74s CPU 128.78s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 126.74s CPU 128.77s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.00s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.04s CPU 0.07s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.07s WALL ( 313 calls) cegterg : 118.16s CPU 119.70s WALL ( 425 calls) Called by sum_band: Called by *egterg: h_psi : 62.74s CPU 63.62s WALL ( 7618 calls) s_psi : 3.22s CPU 3.20s WALL ( 7618 calls) g_psi : 0.22s CPU 0.29s WALL ( 6880 calls) cdiaghg : 41.61s CPU 42.48s WALL ( 7193 calls) cegterg:over : 5.68s CPU 5.79s WALL ( 6880 calls) cegterg:upda : 6.17s CPU 6.00s WALL ( 6880 calls) cegterg:last : 2.66s CPU 2.66s WALL ( 1092 calls) cdiaghg:chol : 2.24s CPU 2.45s WALL ( 7193 calls) cdiaghg:inve : 1.44s CPU 1.45s WALL ( 7193 calls) cdiaghg:para : 2.37s CPU 2.45s WALL ( 14386 calls) Called by h_psi: h_psi:vloc : 54.93s CPU 55.72s WALL ( 7618 calls) h_psi:vnl : 7.54s CPU 7.63s WALL ( 7618 calls) add_vuspsi : 3.90s CPU 3.78s WALL ( 7618 calls) General routines calbec : 3.62s CPU 3.83s WALL ( 7618 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 51.74s CPU 52.57s WALL ( 612972 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.26s CPU 0.25s WALL ( 626 calls) Parallel routines fft_scatter : 20.06s CPU 20.39s WALL ( 612995 calls) PWSCF : 2m22.82s CPU 2m36.29s WALL This run was terminated on: 13:58:10 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. 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