Program PWSCF v.5.3.0 (svn rev. 11974) starts on 24Dec2016 at 18:17:57 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: ./AgH3BrN.save/ 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 62 38 11 3002 1464 228 Max 63 39 12 3006 1489 232 Sum 2247 1391 409 108137 53203 8279 bravais-lattice index = 14 lattice parameter (alat) = 11.0984 a.u. unit-cell volume = 1113.1691 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 4 number of electrons = 52.00 number of Kohn-Sham states= 62 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 321.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.098361 celldm(2)= 0.713962 celldm(3)= 1.150519 celldm(4)= 0.131443 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 0.713962 0.000000 ) a(3) = ( 0.000000 0.151228 1.140537 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.400634 -0.185715 ) b(3) = ( 0.000000 0.000000 0.876780 ) PseudoPot. # 1 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for 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 PseudoPot. # 4 for Ag read from file: /users/gautes/Pseudo/Ag.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 30ab375624a706b88a092e30a79375fd Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1237 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential N 5.00 14.00670 N( 1.00) H 1.00 1.00790 H( 1.00) Br 7.00 79.90400 Br( 1.00) Ag 11.00 107.86820 Ag( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [1,0,0] cryst. s( 2) = ( 1 0 0 ) f =( -0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [1,0,0] cryst. s( 4) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( 0.0000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 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 [1,0,0] -C2 -2 180 deg rotation - cart. axis [1,0,0] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [1,0,0] -s_h -4 inv. 180 deg rotation - cart. axis [1,0,0] E Cartesian axes number of k points= 262 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 2) = ( 0.0000000 0.0000000 0.0182662), wk = 0.0038168 k( 3) = ( 0.0000000 0.0000000 0.0365325), wk = 0.0038168 k( 4) = ( 0.0000000 0.0000000 0.0547987), wk = 0.0038168 k( 5) = ( 0.0000000 0.0000000 0.0730650), wk = 0.0038168 k( 6) = ( 0.0000000 0.0000000 0.0913312), wk = 0.0038168 k( 7) = ( 0.0000000 0.0000000 0.1095975), wk = 0.0038168 k( 8) = ( 0.0000000 0.0000000 0.1278637), wk = 0.0038168 k( 9) = ( 0.0000000 0.0000000 0.1461300), wk = 0.0038168 k( 10) = ( 0.0000000 0.0000000 0.1643962), wk = 0.0038168 k( 11) = ( 0.0000000 0.0000000 0.1826625), wk = 0.0038168 k( 12) = ( 0.0000000 0.0000000 0.2009287), wk = 0.0038168 k( 13) = ( 0.0000000 0.0000000 0.2191950), wk = 0.0038168 k( 14) = ( 0.0000000 0.0000000 0.2374612), wk = 0.0038168 k( 15) = ( 0.0000000 0.0000000 0.2557275), wk = 0.0038168 k( 16) = ( 0.0000000 0.0000000 0.2739937), wk = 0.0038168 k( 17) = ( 0.0000000 0.0000000 0.2922600), wk = 0.0038168 k( 18) = ( 0.0000000 0.0000000 0.3105262), wk = 0.0038168 k( 19) = ( 0.0000000 0.0000000 0.3287925), wk = 0.0038168 k( 20) = ( 0.0000000 0.0000000 0.3470587), wk = 0.0038168 k( 21) = ( 0.0000000 0.0000000 0.3653250), wk = 0.0038168 k( 22) = ( 0.0000000 0.0000000 0.3835912), wk = 0.0038168 k( 23) = ( 0.0000000 0.0000000 0.4018575), wk = 0.0038168 k( 24) = ( 0.0000000 0.0000000 0.4201237), wk = 0.0038168 k( 25) = ( 0.0000000 0.0000000 0.4383900), wk = 0.0038168 k( 26) = ( 0.0000000 0.0000000 0.4383900), wk = 0.0038168 k( 27) = ( 0.0000000 0.0181806 0.4383900), wk = 0.0038168 k( 28) = ( 0.0000000 0.0363612 0.4383900), wk = 0.0038168 k( 29) = ( 0.0000000 0.0545418 0.4383900), wk = 0.0038168 k( 30) = ( 0.0000000 0.0727224 0.4383900), wk = 0.0038168 k( 31) = ( 0.0000000 0.0909030 0.4383900), wk = 0.0038168 k( 32) = ( 0.0000000 0.1090836 0.4383900), wk = 0.0038168 k( 33) = ( 0.0000000 0.1272642 0.4383900), wk = 0.0038168 k( 34) = ( 0.0000000 0.1454448 0.4383900), wk = 0.0038168 k( 35) = ( 0.0000000 0.1636254 0.4383900), wk = 0.0038168 k( 36) = ( 0.0000000 0.1818061 0.4383900), wk = 0.0038168 k( 37) = ( 0.0000000 0.1999867 0.4383900), wk = 0.0038168 k( 38) = ( 0.0000000 0.2181673 0.4383900), wk = 0.0038168 k( 39) = ( 0.0000000 0.2363479 0.4383900), wk = 0.0038168 k( 40) = ( 0.0000000 0.2545285 0.4383900), wk = 0.0038168 k( 41) = ( 0.0000000 0.2727091 0.4383900), wk = 0.0038168 k( 42) = ( 0.0000000 0.2908897 0.4383900), wk = 0.0038168 k( 43) = ( 0.0000000 0.3090703 0.4383900), wk = 0.0038168 k( 44) = ( 0.0000000 0.3272509 0.4383900), wk = 0.0038168 k( 45) = ( 0.0000000 0.3454315 0.4383900), wk = 0.0038168 k( 46) = ( 0.0000000 0.3636121 0.4383900), wk = 0.0038168 k( 47) = ( 0.0000000 0.3817927 0.4383900), wk = 0.0038168 k( 48) = ( 0.0000000 0.3999733 0.4383900), wk = 0.0038168 k( 49) = ( 0.0000000 0.4181539 0.4383900), wk = 0.0038168 k( 50) = ( 0.0000000 0.4363345 0.4383900), wk = 0.0038168 k( 51) = ( 0.0000000 0.4545151 0.4383900), wk = 0.0038168 k( 52) = ( 0.0000000 0.4726957 0.4383900), wk = 0.0038168 k( 53) = ( 0.0000000 0.4908763 0.4383900), wk = 0.0038168 k( 54) = ( 0.0000000 0.5090570 0.4383900), wk = 0.0038168 k( 55) = ( 0.0000000 0.5272375 0.4383900), wk = 0.0038168 k( 56) = ( 0.0000000 0.5454182 0.4383900), wk = 0.0038168 k( 57) = ( 0.0000000 0.5635988 0.4383900), wk = 0.0038168 k( 58) = ( 0.0000000 0.5817794 0.4383900), wk = 0.0038168 k( 59) = ( 0.0000000 0.5999600 0.4383900), wk = 0.0038168 k( 60) = ( 0.0000000 0.6181406 0.4383900), wk = 0.0038168 k( 61) = ( 0.0000000 0.6363212 0.4383900), wk = 0.0038168 k( 62) = ( 0.0000000 0.6545018 0.4383900), wk = 0.0038168 k( 63) = ( 0.0000000 0.6545018 0.4383900), wk = 0.0038168 k( 64) = ( 0.0000000 0.6621377 0.4229137), wk = 0.0038168 k( 65) = ( 0.0000000 0.6697736 0.4074374), wk = 0.0038168 k( 66) = ( 0.0000000 0.6774095 0.3919611), wk = 0.0038168 k( 67) = ( 0.0000000 0.6850454 0.3764849), wk = 0.0038168 k( 68) = ( 0.0000000 0.6926813 0.3610086), wk = 0.0038168 k( 69) = ( 0.0000000 0.7003172 0.3455323), wk = 0.0038168 k( 70) = ( 0.0000000 0.7003172 0.3455323), wk = 0.0038168 k( 71) = ( 0.0185185 0.7003172 0.3455323), wk = 0.0038168 k( 72) = ( 0.0370370 0.7003172 0.3455323), wk = 0.0038168 k( 73) = ( 0.0555556 0.7003172 0.3455323), wk = 0.0038168 k( 74) = ( 0.0740741 0.7003172 0.3455323), wk = 0.0038168 k( 75) = ( 0.0925926 0.7003172 0.3455323), wk = 0.0038168 k( 76) = ( 0.1111111 0.7003172 0.3455323), wk = 0.0038168 k( 77) = ( 0.1296296 0.7003172 0.3455323), wk = 0.0038168 k( 78) = ( 0.1481482 0.7003172 0.3455323), wk = 0.0038168 k( 79) = ( 0.1666667 0.7003172 0.3455323), wk = 0.0038168 k( 80) = ( 0.1851852 0.7003172 0.3455323), wk = 0.0038168 k( 81) = ( 0.2037037 0.7003172 0.3455323), wk = 0.0038168 k( 82) = ( 0.2222222 0.7003172 0.3455323), wk = 0.0038168 k( 83) = ( 0.2407407 0.7003172 0.3455323), wk = 0.0038168 k( 84) = ( 0.2592593 0.7003172 0.3455323), wk = 0.0038168 k( 85) = ( 0.2777778 0.7003172 0.3455323), wk = 0.0038168 k( 86) = ( 0.2962963 0.7003172 0.3455323), wk = 0.0038168 k( 87) = ( 0.3148148 0.7003172 0.3455323), wk = 0.0038168 k( 88) = ( 0.3333333 0.7003172 0.3455323), wk = 0.0038168 k( 89) = ( 0.3518519 0.7003172 0.3455323), wk = 0.0038168 k( 90) = ( 0.3703704 0.7003172 0.3455323), wk = 0.0038168 k( 91) = ( 0.3888889 0.7003172 0.3455323), wk = 0.0038168 k( 92) = ( 0.4074074 0.7003172 0.3455323), wk = 0.0038168 k( 93) = ( 0.4259259 0.7003172 0.3455323), wk = 0.0038168 k( 94) = ( 0.4444444 0.7003172 0.3455323), wk = 0.0038168 k( 95) = ( 0.4629630 0.7003172 0.3455323), wk = 0.0038168 k( 96) = ( 0.4814815 0.7003172 0.3455323), wk = 0.0038168 k( 97) = ( 0.5000000 0.7003172 0.3455323), wk = 0.0038168 k( 98) = ( 0.5000000 0.7003172 0.3455323), wk = 0.0038168 k( 99) = ( 0.5000000 0.7079531 0.3300561), wk = 0.0038168 k( 100) = ( 0.5000000 0.7155890 0.3145798), wk = 0.0038168 k( 101) = ( 0.5000000 0.7232249 0.2991035), wk = 0.0038168 k( 102) = ( 0.5000000 0.7308608 0.2836272), wk = 0.0038168 k( 103) = ( 0.5000000 0.7384967 0.2681510), wk = 0.0038168 k( 104) = ( 0.5000000 0.7461326 0.2526747), wk = 0.0038168 k( 105) = ( 0.5000000 0.7461326 0.2526747), wk = 0.0038168 k( 106) = ( 0.5000000 0.7437213 0.2344888), wk = 0.0038168 k( 107) = ( 0.5000000 0.7413099 0.2163029), wk = 0.0038168 k( 108) = ( 0.5000000 0.7388986 0.1981170), wk = 0.0038168 k( 109) = ( 0.5000000 0.7364872 0.1799311), wk = 0.0038168 k( 110) = ( 0.5000000 0.7340759 0.1617451), wk = 0.0038168 k( 111) = ( 0.5000000 0.7316646 0.1435592), wk = 0.0038168 k( 112) = ( 0.5000000 0.7292532 0.1253733), wk = 0.0038168 k( 113) = ( 0.5000000 0.7268419 0.1071874), wk = 0.0038168 k( 114) = ( 0.5000000 0.7244306 0.0890015), wk = 0.0038168 k( 115) = ( 0.5000000 0.7220192 0.0708156), wk = 0.0038168 k( 116) = ( 0.5000000 0.7196079 0.0526297), wk = 0.0038168 k( 117) = ( 0.5000000 0.7171965 0.0344438), wk = 0.0038168 k( 118) = ( 0.5000000 0.7147852 0.0162578), wk = 0.0038168 k( 119) = ( 0.5000000 0.7123739 -0.0019281), wk = 0.0038168 k( 120) = ( 0.5000000 0.7099625 -0.0201140), wk = 0.0038168 k( 121) = ( 0.5000000 0.7075512 -0.0382999), wk = 0.0038168 k( 122) = ( 0.5000000 0.7051399 -0.0564858), wk = 0.0038168 k( 123) = ( 0.5000000 0.7027285 -0.0746717), wk = 0.0038168 k( 124) = ( 0.5000000 0.7003172 -0.0928576), wk = 0.0038168 k( 125) = ( 0.5000000 0.7003172 -0.0928576), wk = 0.0038168 k( 126) = ( 0.4814815 0.7003172 -0.0928576), wk = 0.0038168 k( 127) = ( 0.4629630 0.7003172 -0.0928576), wk = 0.0038168 k( 128) = ( 0.4444444 0.7003172 -0.0928576), wk = 0.0038168 k( 129) = ( 0.4259259 0.7003172 -0.0928576), wk = 0.0038168 k( 130) = ( 0.4074074 0.7003172 -0.0928576), wk = 0.0038168 k( 131) = ( 0.3888889 0.7003172 -0.0928576), wk = 0.0038168 k( 132) = ( 0.3703704 0.7003172 -0.0928576), wk = 0.0038168 k( 133) = ( 0.3518519 0.7003172 -0.0928576), wk = 0.0038168 k( 134) = ( 0.3333333 0.7003172 -0.0928576), wk = 0.0038168 k( 135) = ( 0.3148148 0.7003172 -0.0928576), wk = 0.0038168 k( 136) = ( 0.2962963 0.7003172 -0.0928576), wk = 0.0038168 k( 137) = ( 0.2777778 0.7003172 -0.0928576), wk = 0.0038168 k( 138) = ( 0.2592593 0.7003172 -0.0928576), wk = 0.0038168 k( 139) = ( 0.2407407 0.7003172 -0.0928576), wk = 0.0038168 k( 140) = ( 0.2222222 0.7003172 -0.0928576), wk = 0.0038168 k( 141) = ( 0.2037037 0.7003172 -0.0928576), wk = 0.0038168 k( 142) = ( 0.1851852 0.7003172 -0.0928576), wk = 0.0038168 k( 143) = ( 0.1666667 0.7003172 -0.0928576), wk = 0.0038168 k( 144) = ( 0.1481482 0.7003172 -0.0928576), wk = 0.0038168 k( 145) = ( 0.1296296 0.7003172 -0.0928576), wk = 0.0038168 k( 146) = ( 0.1111111 0.7003172 -0.0928576), wk = 0.0038168 k( 147) = ( 0.0925926 0.7003172 -0.0928576), wk = 0.0038168 k( 148) = ( 0.0740741 0.7003172 -0.0928576), wk = 0.0038168 k( 149) = ( 0.0555556 0.7003172 -0.0928576), wk = 0.0038168 k( 150) = ( 0.0370370 0.7003172 -0.0928576), wk = 0.0038168 k( 151) = ( 0.0185185 0.7003172 -0.0928576), wk = 0.0038168 k( 152) = ( 0.0000000 0.7003172 -0.0928576), wk = 0.0038168 k( 153) = ( 0.0000000 0.7003172 -0.0928576), wk = 0.0038168 k( 154) = ( 0.0000000 0.7027285 -0.0746717), wk = 0.0038168 k( 155) = ( 0.0000000 0.7051399 -0.0564858), wk = 0.0038168 k( 156) = ( 0.0000000 0.7075512 -0.0382999), wk = 0.0038168 k( 157) = ( 0.0000000 0.7099625 -0.0201140), wk = 0.0038168 k( 158) = ( 0.0000000 0.7123739 -0.0019281), wk = 0.0038168 k( 159) = ( 0.0000000 0.7147852 0.0162578), wk = 0.0038168 k( 160) = ( 0.0000000 0.7171965 0.0344438), wk = 0.0038168 k( 161) = ( 0.0000000 0.7196079 0.0526297), wk = 0.0038168 k( 162) = ( 0.0000000 0.7220192 0.0708156), wk = 0.0038168 k( 163) = ( 0.0000000 0.7244306 0.0890015), wk = 0.0038168 k( 164) = ( 0.0000000 0.7268419 0.1071874), wk = 0.0038168 k( 165) = ( 0.0000000 0.7292532 0.1253733), wk = 0.0038168 k( 166) = ( 0.0000000 0.7316646 0.1435592), wk = 0.0038168 k( 167) = ( 0.0000000 0.7340759 0.1617451), wk = 0.0038168 k( 168) = ( 0.0000000 0.7364872 0.1799311), wk = 0.0038168 k( 169) = ( 0.0000000 0.7388986 0.1981170), wk = 0.0038168 k( 170) = ( 0.0000000 0.7413099 0.2163029), wk = 0.0038168 k( 171) = ( 0.0000000 0.7437213 0.2344888), wk = 0.0038168 k( 172) = ( 0.0000000 0.7461326 0.2526747), wk = 0.0038168 k( 173) = ( 0.5000000 0.6545018 0.4383900), wk = 0.0038168 k( 174) = ( 0.5000000 0.6363212 0.4383900), wk = 0.0038168 k( 175) = ( 0.5000000 0.6181406 0.4383900), wk = 0.0038168 k( 176) = ( 0.5000000 0.5999600 0.4383900), wk = 0.0038168 k( 177) = ( 0.5000000 0.5817794 0.4383900), wk = 0.0038168 k( 178) = ( 0.5000000 0.5635988 0.4383900), wk = 0.0038168 k( 179) = ( 0.5000000 0.5454182 0.4383900), wk = 0.0038168 k( 180) = ( 0.5000000 0.5272375 0.4383900), wk = 0.0038168 k( 181) = ( 0.5000000 0.5090570 0.4383900), wk = 0.0038168 k( 182) = ( 0.5000000 0.4908763 0.4383900), wk = 0.0038168 k( 183) = ( 0.5000000 0.4726957 0.4383900), wk = 0.0038168 k( 184) = ( 0.5000000 0.4545151 0.4383900), wk = 0.0038168 k( 185) = ( 0.5000000 0.4363345 0.4383900), wk = 0.0038168 k( 186) = ( 0.5000000 0.4181539 0.4383900), wk = 0.0038168 k( 187) = ( 0.5000000 0.3999733 0.4383900), wk = 0.0038168 k( 188) = ( 0.5000000 0.3817927 0.4383900), wk = 0.0038168 k( 189) = ( 0.5000000 0.3636121 0.4383900), wk = 0.0038168 k( 190) = ( 0.5000000 0.3454315 0.4383900), wk = 0.0038168 k( 191) = ( 0.5000000 0.3272509 0.4383900), wk = 0.0038168 k( 192) = ( 0.5000000 0.3090703 0.4383900), wk = 0.0038168 k( 193) = ( 0.5000000 0.2908897 0.4383900), wk = 0.0038168 k( 194) = ( 0.5000000 0.2727091 0.4383900), wk = 0.0038168 k( 195) = ( 0.5000000 0.2545285 0.4383900), wk = 0.0038168 k( 196) = ( 0.5000000 0.2363479 0.4383900), wk = 0.0038168 k( 197) = ( 0.5000000 0.2181673 0.4383900), wk = 0.0038168 k( 198) = ( 0.5000000 0.1999867 0.4383900), wk = 0.0038168 k( 199) = ( 0.5000000 0.1818061 0.4383900), wk = 0.0038168 k( 200) = ( 0.5000000 0.1636254 0.4383900), wk = 0.0038168 k( 201) = ( 0.5000000 0.1454448 0.4383900), wk = 0.0038168 k( 202) = ( 0.5000000 0.1272642 0.4383900), wk = 0.0038168 k( 203) = ( 0.5000000 0.1090836 0.4383900), wk = 0.0038168 k( 204) = ( 0.5000000 0.0909030 0.4383900), wk = 0.0038168 k( 205) = ( 0.5000000 0.0727224 0.4383900), wk = 0.0038168 k( 206) = ( 0.5000000 0.0545418 0.4383900), wk = 0.0038168 k( 207) = ( 0.5000000 0.0363612 0.4383900), wk = 0.0038168 k( 208) = ( 0.5000000 0.0181806 0.4383900), wk = 0.0038168 k( 209) = ( 0.5000000 -0.0000000 0.4383900), wk = 0.0038168 k( 210) = ( 0.5000000 -0.0000000 0.4383900), wk = 0.0038168 k( 211) = ( 0.5000000 -0.0000000 0.4201237), wk = 0.0038168 k( 212) = ( 0.5000000 -0.0000000 0.4018575), wk = 0.0038168 k( 213) = ( 0.5000000 -0.0000000 0.3835912), wk = 0.0038168 k( 214) = ( 0.5000000 -0.0000000 0.3653250), wk = 0.0038168 k( 215) = ( 0.5000000 -0.0000000 0.3470587), wk = 0.0038168 k( 216) = ( 0.5000000 -0.0000000 0.3287925), wk = 0.0038168 k( 217) = ( 0.5000000 -0.0000000 0.3105262), wk = 0.0038168 k( 218) = ( 0.5000000 -0.0000000 0.2922600), wk = 0.0038168 k( 219) = ( 0.5000000 -0.0000000 0.2739937), wk = 0.0038168 k( 220) = ( 0.5000000 -0.0000000 0.2557275), wk = 0.0038168 k( 221) = ( 0.5000000 -0.0000000 0.2374612), wk = 0.0038168 k( 222) = ( 0.5000000 -0.0000000 0.2191950), wk = 0.0038168 k( 223) = ( 0.5000000 -0.0000000 0.2009287), wk = 0.0038168 k( 224) = ( 0.5000000 -0.0000000 0.1826625), wk = 0.0038168 k( 225) = ( 0.5000000 -0.0000000 0.1643962), wk = 0.0038168 k( 226) = ( 0.5000000 -0.0000000 0.1461300), wk = 0.0038168 k( 227) = ( 0.5000000 -0.0000000 0.1278637), wk = 0.0038168 k( 228) = ( 0.5000000 -0.0000000 0.1095975), wk = 0.0038168 k( 229) = ( 0.5000000 -0.0000000 0.0913312), wk = 0.0038168 k( 230) = ( 0.5000000 -0.0000000 0.0730650), wk = 0.0038168 k( 231) = ( 0.5000000 -0.0000000 0.0547987), wk = 0.0038168 k( 232) = ( 0.5000000 -0.0000000 0.0365325), wk = 0.0038168 k( 233) = ( 0.5000000 -0.0000000 0.0182662), wk = 0.0038168 k( 234) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0038168 k( 235) = ( 0.0000000 0.0000000 0.4383900), wk = 0.0038168 k( 236) = ( 0.0185185 -0.0000000 0.4383900), wk = 0.0038168 k( 237) = ( 0.0370370 -0.0000000 0.4383900), wk = 0.0038168 k( 238) = ( 0.0555556 -0.0000000 0.4383900), wk = 0.0038168 k( 239) = ( 0.0740741 -0.0000000 0.4383900), wk = 0.0038168 k( 240) = ( 0.0925926 -0.0000000 0.4383900), wk = 0.0038168 k( 241) = ( 0.1111111 -0.0000000 0.4383900), wk = 0.0038168 k( 242) = ( 0.1296296 -0.0000000 0.4383900), wk = 0.0038168 k( 243) = ( 0.1481482 -0.0000000 0.4383900), wk = 0.0038168 k( 244) = ( 0.1666667 -0.0000000 0.4383900), wk = 0.0038168 k( 245) = ( 0.1851852 -0.0000000 0.4383900), wk = 0.0038168 k( 246) = ( 0.2037037 -0.0000000 0.4383900), wk = 0.0038168 k( 247) = ( 0.2222222 -0.0000000 0.4383900), wk = 0.0038168 k( 248) = ( 0.2407407 -0.0000000 0.4383900), wk = 0.0038168 k( 249) = ( 0.2592593 -0.0000000 0.4383900), wk = 0.0038168 k( 250) = ( 0.2777778 -0.0000000 0.4383900), wk = 0.0038168 k( 251) = ( 0.2962963 -0.0000000 0.4383900), wk = 0.0038168 k( 252) = ( 0.3148148 -0.0000000 0.4383900), wk = 0.0038168 k( 253) = ( 0.3333333 -0.0000000 0.4383900), wk = 0.0038168 k( 254) = ( 0.3518519 -0.0000000 0.4383900), wk = 0.0038168 k( 255) = ( 0.3703704 -0.0000000 0.4383900), wk = 0.0038168 k( 256) = ( 0.3888889 -0.0000000 0.4383900), wk = 0.0038168 k( 257) = ( 0.4074074 -0.0000000 0.4383900), wk = 0.0038168 k( 258) = ( 0.4259259 -0.0000000 0.4383900), wk = 0.0038168 k( 259) = ( 0.4444444 -0.0000000 0.4383900), wk = 0.0038168 k( 260) = ( 0.4629630 -0.0000000 0.4383900), wk = 0.0038168 k( 261) = ( 0.4814815 -0.0000000 0.4383900), wk = 0.0038168 k( 262) = ( 0.5000000 -0.0000000 0.4383900), wk = 0.0038168 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038168 k( 2) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0038168 k( 3) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0038168 k( 4) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0038168 k( 5) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0038168 k( 6) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0038168 k( 7) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0038168 k( 8) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0038168 k( 9) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0038168 k( 10) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0038168 k( 11) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0038168 k( 12) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0038168 k( 13) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0038168 k( 14) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0038168 k( 15) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0038168 k( 16) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0038168 k( 17) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0038168 k( 18) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0038168 k( 19) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0038168 k( 20) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0038168 k( 21) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0038168 k( 22) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0038168 k( 23) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0038168 k( 24) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0038168 k( 25) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038168 k( 26) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038168 k( 27) = ( 0.0000000 0.0129803 0.5027494), wk = 0.0038168 k( 28) = ( 0.0000000 0.0259605 0.5054988), wk = 0.0038168 k( 29) = ( 0.0000000 0.0389408 0.5082482), wk = 0.0038168 k( 30) = ( 0.0000000 0.0519211 0.5109977), wk = 0.0038168 k( 31) = ( 0.0000000 0.0649013 0.5137471), wk = 0.0038168 k( 32) = ( 0.0000000 0.0778816 0.5164965), wk = 0.0038168 k( 33) = ( 0.0000000 0.0908618 0.5192459), wk = 0.0038168 k( 34) = ( 0.0000000 0.1038421 0.5219953), wk = 0.0038168 k( 35) = ( 0.0000000 0.1168224 0.5247447), wk = 0.0038168 k( 36) = ( 0.0000000 0.1298026 0.5274942), wk = 0.0038168 k( 37) = ( 0.0000000 0.1427829 0.5302436), wk = 0.0038168 k( 38) = ( 0.0000000 0.1557632 0.5329930), wk = 0.0038168 k( 39) = ( 0.0000000 0.1687434 0.5357424), wk = 0.0038168 k( 40) = ( 0.0000000 0.1817237 0.5384918), wk = 0.0038168 k( 41) = ( 0.0000000 0.1947040 0.5412413), wk = 0.0038168 k( 42) = ( 0.0000000 0.2076842 0.5439907), wk = 0.0038168 k( 43) = ( 0.0000000 0.2206645 0.5467401), wk = 0.0038168 k( 44) = ( 0.0000000 0.2336448 0.5494895), wk = 0.0038168 k( 45) = ( 0.0000000 0.2466250 0.5522389), wk = 0.0038168 k( 46) = ( 0.0000000 0.2596053 0.5549883), wk = 0.0038168 k( 47) = ( 0.0000000 0.2725856 0.5577378), wk = 0.0038168 k( 48) = ( 0.0000000 0.2855658 0.5604872), wk = 0.0038168 k( 49) = ( 0.0000000 0.2985461 0.5632366), wk = 0.0038168 k( 50) = ( 0.0000000 0.3115264 0.5659860), wk = 0.0038168 k( 51) = ( 0.0000000 0.3245066 0.5687354), wk = 0.0038168 k( 52) = ( 0.0000000 0.3374869 0.5714848), wk = 0.0038168 k( 53) = ( 0.0000000 0.3504672 0.5742342), wk = 0.0038168 k( 54) = ( 0.0000000 0.3634474 0.5769837), wk = 0.0038168 k( 55) = ( 0.0000000 0.3764277 0.5797331), wk = 0.0038168 k( 56) = ( 0.0000000 0.3894080 0.5824825), wk = 0.0038168 k( 57) = ( 0.0000000 0.4023882 0.5852319), wk = 0.0038168 k( 58) = ( 0.0000000 0.4153685 0.5879813), wk = 0.0038168 k( 59) = ( 0.0000000 0.4283487 0.5907307), wk = 0.0038168 k( 60) = ( 0.0000000 0.4413290 0.5934802), wk = 0.0038168 k( 61) = ( 0.0000000 0.4543093 0.5962296), wk = 0.0038168 k( 62) = ( 0.0000000 0.4672895 0.5989790), wk = 0.0038168 k( 63) = ( 0.0000000 0.4672895 0.5989790), wk = 0.0038168 k( 64) = ( 0.0000000 0.4727413 0.5824825), wk = 0.0038168 k( 65) = ( 0.0000000 0.4781930 0.5659860), wk = 0.0038168 k( 66) = ( 0.0000000 0.4836448 0.5494895), wk = 0.0038168 k( 67) = ( 0.0000000 0.4890965 0.5329930), wk = 0.0038168 k( 68) = ( 0.0000000 0.4945483 0.5164965), wk = 0.0038168 k( 69) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0038168 k( 70) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0038168 k( 71) = ( 0.0185185 0.5000000 0.5000000), wk = 0.0038168 k( 72) = ( 0.0370370 0.5000000 0.5000000), wk = 0.0038168 k( 73) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0038168 k( 74) = ( 0.0740741 0.5000000 0.5000000), wk = 0.0038168 k( 75) = ( 0.0925926 0.5000000 0.5000000), wk = 0.0038168 k( 76) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0038168 k( 77) = ( 0.1296296 0.5000000 0.5000000), wk = 0.0038168 k( 78) = ( 0.1481482 0.5000000 0.5000000), wk = 0.0038168 k( 79) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0038168 k( 80) = ( 0.1851852 0.5000000 0.5000000), wk = 0.0038168 k( 81) = ( 0.2037037 0.5000000 0.5000000), wk = 0.0038168 k( 82) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0038168 k( 83) = ( 0.2407407 0.5000000 0.5000000), wk = 0.0038168 k( 84) = ( 0.2592593 0.5000000 0.5000000), wk = 0.0038168 k( 85) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0038168 k( 86) = ( 0.2962963 0.5000000 0.5000000), wk = 0.0038168 k( 87) = ( 0.3148148 0.5000000 0.5000000), wk = 0.0038168 k( 88) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0038168 k( 89) = ( 0.3518519 0.5000000 0.5000000), wk = 0.0038168 k( 90) = ( 0.3703704 0.5000000 0.5000000), wk = 0.0038168 k( 91) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0038168 k( 92) = ( 0.4074074 0.5000000 0.5000000), wk = 0.0038168 k( 93) = ( 0.4259259 0.5000000 0.5000000), wk = 0.0038168 k( 94) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0038168 k( 95) = ( 0.4629630 0.5000000 0.5000000), wk = 0.0038168 k( 96) = ( 0.4814815 0.5000000 0.5000000), wk = 0.0038168 k( 97) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038168 k( 98) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038168 k( 99) = ( 0.5000000 0.5054517 0.4835035), wk = 0.0038168 k( 100) = ( 0.5000000 0.5109035 0.4670070), wk = 0.0038168 k( 101) = ( 0.5000000 0.5163552 0.4505105), wk = 0.0038168 k( 102) = ( 0.5000000 0.5218070 0.4340140), wk = 0.0038168 k( 103) = ( 0.5000000 0.5272587 0.4175175), wk = 0.0038168 k( 104) = ( 0.5000000 0.5327105 0.4010210), wk = 0.0038168 k( 105) = ( 0.5000000 0.5327105 0.4010210), wk = 0.0038168 k( 106) = ( 0.5000000 0.5309889 0.3799146), wk = 0.0038168 k( 107) = ( 0.5000000 0.5292673 0.3588083), wk = 0.0038168 k( 108) = ( 0.5000000 0.5275456 0.3377019), wk = 0.0038168 k( 109) = ( 0.5000000 0.5258240 0.3165955), wk = 0.0038168 k( 110) = ( 0.5000000 0.5241024 0.2954892), wk = 0.0038168 k( 111) = ( 0.5000000 0.5223808 0.2743828), wk = 0.0038168 k( 112) = ( 0.5000000 0.5206592 0.2532764), wk = 0.0038168 k( 113) = ( 0.5000000 0.5189376 0.2321701), wk = 0.0038168 k( 114) = ( 0.5000000 0.5172160 0.2110637), wk = 0.0038168 k( 115) = ( 0.5000000 0.5154944 0.1899573), wk = 0.0038168 k( 116) = ( 0.5000000 0.5137728 0.1688510), wk = 0.0038168 k( 117) = ( 0.5000000 0.5120512 0.1477446), wk = 0.0038168 k( 118) = ( 0.5000000 0.5103296 0.1266382), wk = 0.0038168 k( 119) = ( 0.5000000 0.5086080 0.1055318), wk = 0.0038168 k( 120) = ( 0.5000000 0.5068864 0.0844255), wk = 0.0038168 k( 121) = ( 0.5000000 0.5051648 0.0633191), wk = 0.0038168 k( 122) = ( 0.5000000 0.5034432 0.0422127), wk = 0.0038168 k( 123) = ( 0.5000000 0.5017216 0.0211064), wk = 0.0038168 k( 124) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038168 k( 125) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038168 k( 126) = ( 0.4814815 0.5000000 0.0000000), wk = 0.0038168 k( 127) = ( 0.4629630 0.5000000 0.0000000), wk = 0.0038168 k( 128) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0038168 k( 129) = ( 0.4259259 0.5000000 0.0000000), wk = 0.0038168 k( 130) = ( 0.4074074 0.5000000 0.0000000), wk = 0.0038168 k( 131) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0038168 k( 132) = ( 0.3703704 0.5000000 0.0000000), wk = 0.0038168 k( 133) = ( 0.3518519 0.5000000 0.0000000), wk = 0.0038168 k( 134) = ( 0.3333333 0.5000000 0.0000000), wk = 0.0038168 k( 135) = ( 0.3148148 0.5000000 0.0000000), wk = 0.0038168 k( 136) = ( 0.2962963 0.5000000 0.0000000), wk = 0.0038168 k( 137) = ( 0.2777778 0.5000000 0.0000000), wk = 0.0038168 k( 138) = ( 0.2592593 0.5000000 0.0000000), wk = 0.0038168 k( 139) = ( 0.2407407 0.5000000 0.0000000), wk = 0.0038168 k( 140) = ( 0.2222222 0.5000000 0.0000000), wk = 0.0038168 k( 141) = ( 0.2037037 0.5000000 0.0000000), wk = 0.0038168 k( 142) = ( 0.1851852 0.5000000 0.0000000), wk = 0.0038168 k( 143) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0038168 k( 144) = ( 0.1481482 0.5000000 0.0000000), wk = 0.0038168 k( 145) = ( 0.1296296 0.5000000 0.0000000), wk = 0.0038168 k( 146) = ( 0.1111111 0.5000000 0.0000000), wk = 0.0038168 k( 147) = ( 0.0925926 0.5000000 0.0000000), wk = 0.0038168 k( 148) = ( 0.0740741 0.5000000 0.0000000), wk = 0.0038168 k( 149) = ( 0.0555556 0.5000000 0.0000000), wk = 0.0038168 k( 150) = ( 0.0370370 0.5000000 0.0000000), wk = 0.0038168 k( 151) = ( 0.0185185 0.5000000 0.0000000), wk = 0.0038168 k( 152) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038168 k( 153) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0038168 k( 154) = ( 0.0000000 0.5017216 0.0211064), wk = 0.0038168 k( 155) = ( 0.0000000 0.5034432 0.0422127), wk = 0.0038168 k( 156) = ( 0.0000000 0.5051648 0.0633191), wk = 0.0038168 k( 157) = ( 0.0000000 0.5068864 0.0844255), wk = 0.0038168 k( 158) = ( 0.0000000 0.5086080 0.1055318), wk = 0.0038168 k( 159) = ( 0.0000000 0.5103296 0.1266382), wk = 0.0038168 k( 160) = ( 0.0000000 0.5120512 0.1477446), wk = 0.0038168 k( 161) = ( 0.0000000 0.5137728 0.1688510), wk = 0.0038168 k( 162) = ( 0.0000000 0.5154944 0.1899573), wk = 0.0038168 k( 163) = ( 0.0000000 0.5172160 0.2110637), wk = 0.0038168 k( 164) = ( 0.0000000 0.5189376 0.2321701), wk = 0.0038168 k( 165) = ( 0.0000000 0.5206592 0.2532764), wk = 0.0038168 k( 166) = ( 0.0000000 0.5223808 0.2743828), wk = 0.0038168 k( 167) = ( 0.0000000 0.5241024 0.2954892), wk = 0.0038168 k( 168) = ( 0.0000000 0.5258240 0.3165955), wk = 0.0038168 k( 169) = ( 0.0000000 0.5275456 0.3377019), wk = 0.0038168 k( 170) = ( 0.0000000 0.5292673 0.3588083), wk = 0.0038168 k( 171) = ( 0.0000000 0.5309889 0.3799146), wk = 0.0038168 k( 172) = ( 0.0000000 0.5327105 0.4010210), wk = 0.0038168 k( 173) = ( 0.5000000 0.4672895 0.5989790), wk = 0.0038168 k( 174) = ( 0.5000000 0.4543093 0.5962296), wk = 0.0038168 k( 175) = ( 0.5000000 0.4413290 0.5934802), wk = 0.0038168 k( 176) = ( 0.5000000 0.4283487 0.5907307), wk = 0.0038168 k( 177) = ( 0.5000000 0.4153685 0.5879813), wk = 0.0038168 k( 178) = ( 0.5000000 0.4023882 0.5852319), wk = 0.0038168 k( 179) = ( 0.5000000 0.3894080 0.5824825), wk = 0.0038168 k( 180) = ( 0.5000000 0.3764277 0.5797331), wk = 0.0038168 k( 181) = ( 0.5000000 0.3634474 0.5769837), wk = 0.0038168 k( 182) = ( 0.5000000 0.3504672 0.5742342), wk = 0.0038168 k( 183) = ( 0.5000000 0.3374869 0.5714848), wk = 0.0038168 k( 184) = ( 0.5000000 0.3245066 0.5687354), wk = 0.0038168 k( 185) = ( 0.5000000 0.3115264 0.5659860), wk = 0.0038168 k( 186) = ( 0.5000000 0.2985461 0.5632366), wk = 0.0038168 k( 187) = ( 0.5000000 0.2855658 0.5604872), wk = 0.0038168 k( 188) = ( 0.5000000 0.2725856 0.5577378), wk = 0.0038168 k( 189) = ( 0.5000000 0.2596053 0.5549883), wk = 0.0038168 k( 190) = ( 0.5000000 0.2466250 0.5522389), wk = 0.0038168 k( 191) = ( 0.5000000 0.2336448 0.5494895), wk = 0.0038168 k( 192) = ( 0.5000000 0.2206645 0.5467401), wk = 0.0038168 k( 193) = ( 0.5000000 0.2076842 0.5439907), wk = 0.0038168 k( 194) = ( 0.5000000 0.1947040 0.5412413), wk = 0.0038168 k( 195) = ( 0.5000000 0.1817237 0.5384918), wk = 0.0038168 k( 196) = ( 0.5000000 0.1687434 0.5357424), wk = 0.0038168 k( 197) = ( 0.5000000 0.1557632 0.5329930), wk = 0.0038168 k( 198) = ( 0.5000000 0.1427829 0.5302436), wk = 0.0038168 k( 199) = ( 0.5000000 0.1298026 0.5274942), wk = 0.0038168 k( 200) = ( 0.5000000 0.1168224 0.5247447), wk = 0.0038168 k( 201) = ( 0.5000000 0.1038421 0.5219953), wk = 0.0038168 k( 202) = ( 0.5000000 0.0908618 0.5192459), wk = 0.0038168 k( 203) = ( 0.5000000 0.0778816 0.5164965), wk = 0.0038168 k( 204) = ( 0.5000000 0.0649013 0.5137471), wk = 0.0038168 k( 205) = ( 0.5000000 0.0519211 0.5109977), wk = 0.0038168 k( 206) = ( 0.5000000 0.0389408 0.5082482), wk = 0.0038168 k( 207) = ( 0.5000000 0.0259605 0.5054988), wk = 0.0038168 k( 208) = ( 0.5000000 0.0129803 0.5027494), wk = 0.0038168 k( 209) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038168 k( 210) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038168 k( 211) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0038168 k( 212) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0038168 k( 213) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0038168 k( 214) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0038168 k( 215) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0038168 k( 216) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0038168 k( 217) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0038168 k( 218) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0038168 k( 219) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0038168 k( 220) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0038168 k( 221) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0038168 k( 222) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0038168 k( 223) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0038168 k( 224) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0038168 k( 225) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0038168 k( 226) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0038168 k( 227) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0038168 k( 228) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0038168 k( 229) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0038168 k( 230) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0038168 k( 231) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0038168 k( 232) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0038168 k( 233) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0038168 k( 234) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0038168 k( 235) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0038168 k( 236) = ( 0.0185185 0.0000000 0.5000000), wk = 0.0038168 k( 237) = ( 0.0370370 0.0000000 0.5000000), wk = 0.0038168 k( 238) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0038168 k( 239) = ( 0.0740741 -0.0000000 0.5000000), wk = 0.0038168 k( 240) = ( 0.0925926 0.0000000 0.5000000), wk = 0.0038168 k( 241) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0038168 k( 242) = ( 0.1296296 0.0000000 0.5000000), wk = 0.0038168 k( 243) = ( 0.1481482 -0.0000000 0.5000000), wk = 0.0038168 k( 244) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0038168 k( 245) = ( 0.1851852 -0.0000000 0.5000000), wk = 0.0038168 k( 246) = ( 0.2037037 -0.0000000 0.5000000), wk = 0.0038168 k( 247) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0038168 k( 248) = ( 0.2407407 -0.0000000 0.5000000), wk = 0.0038168 k( 249) = ( 0.2592593 0.0000000 0.5000000), wk = 0.0038168 k( 250) = ( 0.2777778 -0.0000000 0.5000000), wk = 0.0038168 k( 251) = ( 0.2962963 -0.0000000 0.5000000), wk = 0.0038168 k( 252) = ( 0.3148148 -0.0000000 0.5000000), wk = 0.0038168 k( 253) = ( 0.3333333 -0.0000000 0.5000000), wk = 0.0038168 k( 254) = ( 0.3518519 -0.0000000 0.5000000), wk = 0.0038168 k( 255) = ( 0.3703704 -0.0000000 0.5000000), wk = 0.0038168 k( 256) = ( 0.3888889 -0.0000000 0.5000000), wk = 0.0038168 k( 257) = ( 0.4074074 0.0000000 0.5000000), wk = 0.0038168 k( 258) = ( 0.4259259 -0.0000000 0.5000000), wk = 0.0038168 k( 259) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0038168 k( 260) = ( 0.4629630 -0.0000000 0.5000000), wk = 0.0038168 k( 261) = ( 0.4814815 -0.0000000 0.5000000), wk = 0.0038168 k( 262) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0038168 Dense grid: 108137 G-vectors FFT dimensions: ( 64, 45, 75) Smooth grid: 53203 G-vectors FFT dimensions: ( 50, 36, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.36 Mb ( 382, 62) NL pseudopotentials 0.40 Mb ( 191, 136) Each V/rho on FFT grid 0.13 Mb ( 8640) Each G-vector array 0.02 Mb ( 3004) G-vector shells 0.02 Mb ( 2874) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.45 Mb ( 382, 248) Each subspace H/S matrix 0.06 Mb ( 62, 62) Each matrix 0.26 Mb ( 136, 2, 62) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./AgH3BrN.save/charge-density.dat Starting wfc are 80 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.6 secs Computing kpt #: 2 total cpu time spent up to now is 3.1 secs Computing kpt #: 3 total cpu time spent up to now is 3.7 secs Computing kpt #: 4 total cpu time spent up to now is 4.2 secs Computing kpt #: 5 total cpu time spent up to now is 4.7 secs Computing kpt #: 6 total cpu time spent up to now is 5.2 secs Computing kpt #: 7 total cpu time spent up to now is 5.7 secs Computing kpt #: 8 total cpu time spent up to now is 6.2 secs Computing kpt #: 9 total cpu time spent up to now is 6.7 secs Computing kpt #: 10 total cpu time spent up to now is 7.2 secs Computing kpt #: 11 total cpu time spent up to now is 7.7 secs Computing kpt #: 12 total cpu time spent up to now is 8.2 secs Computing kpt #: 13 total cpu time spent up to now is 8.7 secs Computing kpt #: 14 total cpu time spent up to now is 9.2 secs Computing kpt #: 15 total cpu time spent up to now is 9.7 secs Computing kpt #: 16 total cpu time spent up to now is 10.2 secs Computing kpt #: 17 total cpu time spent up to now is 10.7 secs Computing kpt #: 18 total cpu time spent up to now is 11.2 secs Computing kpt #: 19 total cpu time spent up to now is 11.7 secs Computing kpt #: 20 total cpu time spent up to now is 12.2 secs Computing kpt #: 21 total cpu time spent up to now is 12.7 secs Computing kpt #: 22 total cpu time spent up to now is 13.1 secs Computing kpt #: 23 total cpu time spent up to now is 13.6 secs Computing kpt #: 24 total cpu time spent up to now is 14.1 secs Computing kpt #: 25 total cpu time spent up to now is 14.6 secs Computing kpt #: 26 total cpu time spent up to now is 15.1 secs Computing kpt #: 27 total cpu time spent up to now is 15.6 secs Computing kpt #: 28 total cpu time spent up to now is 16.1 secs Computing kpt #: 29 total cpu time spent up to now is 16.5 secs Computing kpt #: 30 total cpu time spent up to now is 17.0 secs Computing kpt #: 31 total cpu time spent up to now is 17.5 secs Computing kpt #: 32 total cpu time spent up to now is 18.0 secs Computing kpt #: 33 total cpu time spent up to now is 18.5 secs Computing kpt #: 34 total cpu time spent up to now is 19.0 secs Computing kpt #: 35 total cpu time spent up to now is 19.5 secs Computing kpt #: 36 total cpu time spent up to now is 20.0 secs Computing kpt #: 37 total cpu time spent up to now is 20.5 secs Computing kpt #: 38 total cpu time spent up to now is 21.0 secs Computing kpt #: 39 total cpu time spent up to now is 21.5 secs Computing kpt #: 40 total cpu time spent up to now is 22.1 secs Computing kpt #: 41 total cpu time spent up to now is 22.6 secs Computing kpt #: 42 total cpu time spent up to now is 23.1 secs Computing kpt #: 43 total cpu time spent up to now is 23.6 secs Computing kpt #: 44 total cpu time spent up to now is 24.2 secs Computing kpt #: 45 total cpu time spent up to now is 24.7 secs Computing kpt #: 46 total cpu time spent up to now is 25.2 secs Computing kpt #: 47 total cpu time spent up to now is 25.8 secs Computing kpt #: 48 total cpu time spent up to now is 26.3 secs Computing kpt #: 49 total cpu time spent up to now is 26.9 secs Computing kpt #: 50 total cpu time spent up to now is 27.4 secs Computing kpt #: 51 total cpu time spent up to now is 28.0 secs Computing kpt #: 52 total cpu time spent up to now is 28.6 secs Computing kpt #: 53 total cpu time spent up to now is 29.1 secs Computing kpt #: 54 total cpu time spent up to now is 29.7 secs Computing kpt #: 55 total cpu time spent up to now is 30.3 secs Computing kpt #: 56 total cpu time spent up to now is 30.9 secs Computing kpt #: 57 total cpu time spent up to now is 31.5 secs Computing kpt #: 58 total cpu time spent up to now is 32.1 secs Computing kpt #: 59 total cpu time spent up to now is 32.7 secs Computing kpt #: 60 total cpu time spent up to now is 33.2 secs Computing kpt #: 61 total cpu time spent up to now is 33.8 secs Computing kpt #: 62 total cpu time spent up to now is 34.4 secs Computing kpt #: 63 total cpu time spent up to now is 34.9 secs Computing kpt #: 64 total cpu time spent up to now is 35.5 secs Computing kpt #: 65 total cpu time spent up to now is 36.1 secs Computing kpt #: 66 total cpu time spent up to now is 36.6 secs Computing kpt #: 67 total cpu time spent up to now is 37.2 secs Computing kpt #: 68 total cpu time spent up to now is 37.7 secs Computing kpt #: 69 total cpu time spent up to now is 38.3 secs Computing kpt #: 70 total cpu time spent up to now is 38.9 secs Computing kpt #: 71 total cpu time spent up to now is 39.4 secs Computing kpt #: 72 total cpu time spent up to now is 40.0 secs Computing kpt #: 73 total cpu time spent up to now is 40.5 secs Computing kpt #: 74 total cpu time spent up to now is 41.1 secs Computing kpt #: 75 total cpu time spent up to now is 41.7 secs Computing kpt #: 76 total cpu time spent up to now is 42.2 secs Computing kpt #: 77 total cpu time spent up to now is 42.8 secs Computing kpt #: 78 total cpu time spent up to now is 43.4 secs Computing kpt #: 79 total cpu time spent up to now is 44.0 secs Computing kpt #: 80 total cpu time spent up to now is 44.5 secs Computing kpt #: 81 total cpu time spent up to now is 45.2 secs Computing kpt #: 82 total cpu time spent up to now is 45.9 secs Computing kpt #: 83 total cpu time spent up to now is 46.6 secs Computing kpt #: 84 total cpu time spent up to now is 47.3 secs Computing kpt #: 85 total cpu time spent up to now is 48.0 secs Computing kpt #: 86 total cpu time spent up to now is 48.7 secs Computing kpt #: 87 total cpu time spent up to now is 49.3 secs Computing kpt #: 88 total cpu time spent up to now is 50.0 secs Computing kpt #: 89 total cpu time spent up to now is 50.7 secs Computing kpt #: 90 total cpu time spent up to now is 51.4 secs Computing kpt #: 91 total cpu time spent up to now is 52.1 secs Computing kpt #: 92 total cpu time spent up to now is 52.9 secs Computing kpt #: 93 total cpu time spent up to now is 53.7 secs Computing kpt #: 94 total cpu time spent up to now is 54.5 secs Computing kpt #: 95 total cpu time spent up to now is 55.4 secs Computing kpt #: 96 total cpu time spent up to now is 56.3 secs Computing kpt #: 97 total cpu time spent up to now is 57.0 secs Computing kpt #: 98 total cpu time spent up to now is 57.7 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 59.6 secs Computing kpt #: 100 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 61.5 secs Computing kpt #: 101 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 63.4 secs Computing kpt #: 102 total cpu time spent up to now is 64.5 secs Computing kpt #: 103 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 66.4 secs Computing kpt #: 104 total cpu time spent up to now is 67.1 secs Computing kpt #: 105 total cpu time spent up to now is 67.9 secs Computing kpt #: 106 total cpu time spent up to now is 68.6 secs Computing kpt #: 107 total cpu time spent up to now is 69.4 secs Computing kpt #: 108 total cpu time spent up to now is 70.1 secs Computing kpt #: 109 total cpu time spent up to now is 70.8 secs Computing kpt #: 110 total cpu time spent up to now is 71.5 secs Computing kpt #: 111 total cpu time spent up to now is 72.3 secs Computing kpt #: 112 total cpu time spent up to now is 73.0 secs Computing kpt #: 113 total cpu time spent up to now is 73.7 secs Computing kpt #: 114 total cpu time spent up to now is 74.4 secs Computing kpt #: 115 total cpu time spent up to now is 75.1 secs Computing kpt #: 116 total cpu time spent up to now is 75.8 secs Computing kpt #: 117 total cpu time spent up to now is 76.6 secs Computing kpt #: 118 total cpu time spent up to now is 77.3 secs Computing kpt #: 119 total cpu time spent up to now is 78.0 secs Computing kpt #: 120 total cpu time spent up to now is 78.7 secs Computing kpt #: 121 total cpu time spent up to now is 79.4 secs Computing kpt #: 122 total cpu time spent up to now is 80.1 secs Computing kpt #: 123 total cpu time spent up to now is 80.8 secs Computing kpt #: 124 total cpu time spent up to now is 81.4 secs Computing kpt #: 125 total cpu time spent up to now is 82.0 secs Computing kpt #: 126 total cpu time spent up to now is 82.7 secs Computing kpt #: 127 total cpu time spent up to now is 83.3 secs Computing kpt #: 128 total cpu time spent up to now is 84.0 secs Computing kpt #: 129 total cpu time spent up to now is 84.7 secs Computing kpt #: 130 total cpu time spent up to now is 85.4 secs Computing kpt #: 131 total cpu time spent up to now is 86.1 secs Computing kpt #: 132 total cpu time spent up to now is 86.8 secs Computing kpt #: 133 total cpu time spent up to now is 87.5 secs Computing kpt #: 134 total cpu time spent up to now is 88.2 secs Computing kpt #: 135 total cpu time spent up to now is 88.8 secs Computing kpt #: 136 total cpu time spent up to now is 89.5 secs Computing kpt #: 137 total cpu time spent up to now is 90.2 secs Computing kpt #: 138 total cpu time spent up to now is 90.8 secs Computing kpt #: 139 total cpu time spent up to now is 91.4 secs Computing kpt #: 140 total cpu time spent up to now is 91.9 secs Computing kpt #: 141 total cpu time spent up to now is 92.5 secs Computing kpt #: 142 total cpu time spent up to now is 93.1 secs Computing kpt #: 143 total cpu time spent up to now is 93.7 secs Computing kpt #: 144 total cpu time spent up to now is 94.3 secs Computing kpt #: 145 total cpu time spent up to now is 94.8 secs Computing kpt #: 146 total cpu time spent up to now is 95.4 secs Computing kpt #: 147 total cpu time spent up to now is 96.0 secs Computing kpt #: 148 total cpu time spent up to now is 96.6 secs Computing kpt #: 149 total cpu time spent up to now is 97.1 secs Computing kpt #: 150 total cpu time spent up to now is 97.7 secs Computing kpt #: 151 total cpu time spent up to now is 98.2 secs Computing kpt #: 152 total cpu time spent up to now is 98.8 secs Computing kpt #: 153 total cpu time spent up to now is 99.4 secs Computing kpt #: 154 total cpu time spent up to now is 99.9 secs Computing kpt #: 155 total cpu time spent up to now is 100.5 secs Computing kpt #: 156 total cpu time spent up to now is 101.1 secs Computing kpt #: 157 total cpu time spent up to now is 101.6 secs Computing kpt #: 158 total cpu time spent up to now is 102.2 secs Computing kpt #: 159 total cpu time spent up to now is 102.7 secs Computing kpt #: 160 total cpu time spent up to now is 103.3 secs Computing kpt #: 161 total cpu time spent up to now is 103.8 secs Computing kpt #: 162 total cpu time spent up to now is 104.4 secs Computing kpt #: 163 total cpu time spent up to now is 104.9 secs Computing kpt #: 164 total cpu time spent up to now is 105.5 secs Computing kpt #: 165 total cpu time spent up to now is 106.0 secs Computing kpt #: 166 total cpu time spent up to now is 106.6 secs Computing kpt #: 167 total cpu time spent up to now is 107.2 secs Computing kpt #: 168 total cpu time spent up to now is 107.7 secs Computing kpt #: 169 total cpu time spent up to now is 108.3 secs Computing kpt #: 170 total cpu time spent up to now is 108.8 secs Computing kpt #: 171 total cpu time spent up to now is 109.4 secs Computing kpt #: 172 total cpu time spent up to now is 109.9 secs Computing kpt #: 173 total cpu time spent up to now is 110.7 secs Computing kpt #: 174 total cpu time spent up to now is 111.4 secs Computing kpt #: 175 total cpu time spent up to now is 112.2 secs Computing kpt #: 176 total cpu time spent up to now is 112.9 secs Computing kpt #: 177 total cpu time spent up to now is 113.6 secs Computing kpt #: 178 total cpu time spent up to now is 114.3 secs Computing kpt #: 179 total cpu time spent up to now is 115.1 secs Computing kpt #: 180 total cpu time spent up to now is 115.8 secs Computing kpt #: 181 total cpu time spent up to now is 116.5 secs Computing kpt #: 182 total cpu time spent up to now is 117.2 secs Computing kpt #: 183 total cpu time spent up to now is 117.9 secs Computing kpt #: 184 total cpu time spent up to now is 118.6 secs Computing kpt #: 185 total cpu time spent up to now is 119.3 secs Computing kpt #: 186 total cpu time spent up to now is 120.0 secs Computing kpt #: 187 total cpu time spent up to now is 120.8 secs Computing kpt #: 188 total cpu time spent up to now is 121.5 secs Computing kpt #: 189 total cpu time spent up to now is 122.2 secs Computing kpt #: 190 total cpu time spent up to now is 122.9 secs Computing kpt #: 191 total cpu time spent up to now is 123.6 secs Computing kpt #: 192 total cpu time spent up to now is 124.3 secs Computing kpt #: 193 total cpu time spent up to now is 125.0 secs Computing kpt #: 194 total cpu time spent up to now is 125.7 secs Computing kpt #: 195 total cpu time spent up to now is 126.4 secs Computing kpt #: 196 total cpu time spent up to now is 127.0 secs Computing kpt #: 197 total cpu time spent up to now is 127.7 secs Computing kpt #: 198 total cpu time spent up to now is 128.4 secs Computing kpt #: 199 total cpu time spent up to now is 129.1 secs Computing kpt #: 200 total cpu time spent up to now is 129.8 secs Computing kpt #: 201 total cpu time spent up to now is 130.5 secs Computing kpt #: 202 total cpu time spent up to now is 131.2 secs Computing kpt #: 203 total cpu time spent up to now is 131.9 secs Computing kpt #: 204 total cpu time spent up to now is 132.5 secs Computing kpt #: 205 total cpu time spent up to now is 133.2 secs Computing kpt #: 206 total cpu time spent up to now is 133.9 secs Computing kpt #: 207 total cpu time spent up to now is 134.7 secs Computing kpt #: 208 total cpu time spent up to now is 135.5 secs Computing kpt #: 209 total cpu time spent up to now is 136.1 secs Computing kpt #: 210 total cpu time spent up to now is 136.8 secs Computing kpt #: 211 total cpu time spent up to now is 137.8 secs Computing kpt #: 212 total cpu time spent up to now is 138.6 secs Computing kpt #: 213 total cpu time spent up to now is 139.3 secs Computing kpt #: 214 total cpu time spent up to now is 140.0 secs Computing kpt #: 215 total cpu time spent up to now is 140.7 secs Computing kpt #: 216 total cpu time spent up to now is 141.4 secs Computing kpt #: 217 total cpu time spent up to now is 142.1 secs Computing kpt #: 218 total cpu time spent up to now is 142.8 secs Computing kpt #: 219 total cpu time spent up to now is 143.5 secs Computing kpt #: 220 total cpu time spent up to now is 144.2 secs Computing kpt #: 221 total cpu time spent up to now is 144.9 secs Computing kpt #: 222 total cpu time spent up to now is 145.6 secs Computing kpt #: 223 total cpu time spent up to now is 146.2 secs Computing kpt #: 224 total cpu time spent up to now is 146.9 secs Computing kpt #: 225 total cpu time spent up to now is 147.6 secs Computing kpt #: 226 total cpu time spent up to now is 148.3 secs Computing kpt #: 227 total cpu time spent up to now is 149.0 secs Computing kpt #: 228 total cpu time spent up to now is 149.7 secs Computing kpt #: 229 total cpu time spent up to now is 150.4 secs Computing kpt #: 230 total cpu time spent up to now is 151.1 secs Computing kpt #: 231 total cpu time spent up to now is 151.9 secs Computing kpt #: 232 total cpu time spent up to now is 152.6 secs Computing kpt #: 233 total cpu time spent up to now is 153.3 secs Computing kpt #: 234 total cpu time spent up to now is 153.8 secs Computing kpt #: 235 total cpu time spent up to now is 154.3 secs Computing kpt #: 236 total cpu time spent up to now is 154.8 secs Computing kpt #: 237 total cpu time spent up to now is 155.3 secs Computing kpt #: 238 total cpu time spent up to now is 155.8 secs Computing kpt #: 239 total cpu time spent up to now is 156.3 secs Computing kpt #: 240 total cpu time spent up to now is 156.8 secs Computing kpt #: 241 total cpu time spent up to now is 157.3 secs Computing kpt #: 242 total cpu time spent up to now is 157.8 secs Computing kpt #: 243 total cpu time spent up to now is 158.3 secs Computing kpt #: 244 total cpu time spent up to now is 158.8 secs Computing kpt #: 245 total cpu time spent up to now is 159.4 secs Computing kpt #: 246 total cpu time spent up to now is 159.9 secs Computing kpt #: 247 total cpu time spent up to now is 160.4 secs Computing kpt #: 248 total cpu time spent up to now is 160.9 secs Computing kpt #: 249 total cpu time spent up to now is 161.5 secs Computing kpt #: 250 total cpu time spent up to now is 162.0 secs Computing kpt #: 251 total cpu time spent up to now is 162.6 secs Computing kpt #: 252 total cpu time spent up to now is 163.1 secs Computing kpt #: 253 total cpu time spent up to now is 163.7 secs Computing kpt #: 254 total cpu time spent up to now is 164.2 secs Computing kpt #: 255 total cpu time spent up to now is 164.8 secs Computing kpt #: 256 total cpu time spent up to now is 165.4 secs Computing kpt #: 257 total cpu time spent up to now is 166.0 secs Computing kpt #: 258 total cpu time spent up to now is 166.7 secs Computing kpt #: 259 total cpu time spent up to now is 167.4 secs Computing kpt #: 260 total cpu time spent up to now is 168.1 secs Computing kpt #: 261 total cpu time spent up to now is 168.8 secs Computing kpt #: 262 total cpu time spent up to now is 169.4 secs ethr = 1.92E-08, avg # of iterations = 22.0 total cpu time spent up to now is 169.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6661 PWs) bands (ev): -15.9664 -15.9664 -15.8823 -15.8823 -10.6921 -10.6921 -10.6076 -10.6076 -6.1502 -6.1502 -5.9825 -5.9825 -5.3436 -5.3436 -5.3113 -5.3113 -1.4108 -1.4108 -1.3962 -1.3962 -0.1593 -0.1593 0.0482 0.0482 0.2519 0.2519 0.2932 0.2932 0.3857 0.3857 0.6092 0.6092 0.7784 0.7784 1.1132 1.1132 1.1476 1.1476 1.4552 1.4552 1.5928 1.5928 1.8228 1.8228 2.3787 2.3787 2.5182 2.5182 2.9524 2.9524 3.0252 3.0252 5.6136 5.6136 7.6482 7.6482 8.0626 8.0626 8.7844 8.7844 8.8298 8.8298 k = 0.0000 0.0000 0.0183 ( 6652 PWs) bands (ev): -15.9663 -15.9663 -15.8823 -15.8823 -10.6922 -10.6922 -10.6077 -10.6077 -6.1502 -6.1502 -5.9825 -5.9825 -5.3435 -5.3435 -5.3112 -5.3112 -1.4104 -1.4104 -1.3955 -1.3955 -0.1597 -0.1597 0.0476 0.0476 0.2518 0.2518 0.2932 0.2932 0.3857 0.3857 0.6087 0.6087 0.7785 0.7785 1.1133 1.1133 1.1476 1.1476 1.4553 1.4553 1.5915 1.5915 1.8225 1.8225 2.3782 2.3782 2.5175 2.5175 2.9527 2.9527 3.0256 3.0256 5.6176 5.6176 7.6506 7.6506 8.0643 8.0643 8.7765 8.7765 8.8363 8.8363 k = 0.0000 0.0000 0.0365 ( 6644 PWs) bands (ev): -15.9662 -15.9662 -15.8823 -15.8823 -10.6922 -10.6922 -10.6078 -10.6078 -6.1503 -6.1503 -5.9823 -5.9823 -5.3431 -5.3431 -5.3109 -5.3109 -1.4092 -1.4092 -1.3933 -1.3933 -0.1607 -0.1607 0.0460 0.0460 0.2514 0.2514 0.2930 0.2930 0.3857 0.3857 0.6073 0.6073 0.7787 0.7787 1.1133 1.1133 1.1475 1.1475 1.4556 1.4556 1.5876 1.5876 1.8216 1.8216 2.3769 2.3769 2.5153 2.5153 2.9534 2.9534 3.0269 3.0269 5.6297 5.6297 7.6581 7.6581 8.0693 8.0693 8.7588 8.7588 8.8496 8.8496 k = 0.0000 0.0000 0.0548 ( 6644 PWs) bands (ev): -15.9661 -15.9661 -15.8824 -15.8824 -10.6923 -10.6923 -10.6081 -10.6081 -6.1505 -6.1505 -5.9822 -5.9822 -5.3425 -5.3425 -5.3103 -5.3103 -1.4071 -1.4071 -1.3898 -1.3898 -0.1623 -0.1623 0.0433 0.0433 0.2506 0.2506 0.2926 0.2926 0.3857 0.3857 0.6050 0.6050 0.7790 0.7790 1.1133 1.1133 1.1473 1.1473 1.4561 1.4561 1.5812 1.5812 1.8200 1.8200 2.3746 2.3746 2.5118 2.5118 2.9546 2.9546 3.0289 3.0289 5.6496 5.6496 7.6703 7.6703 8.0777 8.0777 8.7364 8.7364 8.8648 8.8648 k = 0.0000 0.0000 0.0731 ( 6642 PWs) bands (ev): -15.9659 -15.9659 -15.8825 -15.8825 -10.6925 -10.6925 -10.6085 -10.6085 -6.1507 -6.1507 -5.9819 -5.9819 -5.3416 -5.3416 -5.3096 -5.3096 -1.4043 -1.4043 -1.3849 -1.3849 -0.1645 -0.1645 0.0395 0.0395 0.2497 0.2497 0.2920 0.2920 0.3858 0.3858 0.6017 0.6017 0.7794 0.7794 1.1133 1.1133 1.1470 1.1470 1.4567 1.4567 1.5725 1.5725 1.8177 1.8177 2.3714 2.3714 2.5072 2.5072 2.9563 2.9563 3.0316 3.0316 5.6771 5.6771 7.6874 7.6874 8.0892 8.0892 8.7103 8.7103 8.8806 8.8806 k = 0.0000 0.0000 0.0913 ( 6648 PWs) bands (ev): -15.9657 -15.9657 -15.8827 -15.8827 -10.6927 -10.6927 -10.6090 -10.6090 -6.1510 -6.1510 -5.9815 -5.9815 -5.3406 -5.3406 -5.3087 -5.3087 -1.4006 -1.4006 -1.3788 -1.3788 -0.1673 -0.1673 0.0348 0.0348 0.2485 0.2485 0.2912 0.2912 0.3859 0.3859 0.5974 0.5974 0.7800 0.7800 1.1133 1.1133 1.1467 1.1467 1.4574 1.4574 1.5618 1.5618 1.8146 1.8146 2.3674 2.3674 2.5017 2.5017 2.9585 2.9585 3.0349 3.0349 5.7118 5.7118 7.7090 7.7090 8.1038 8.1038 8.6808 8.6808 8.8968 8.8968 k = 0.0000 0.0000 0.1096 ( 6651 PWs) bands (ev): -15.9654 -15.9654 -15.8829 -15.8829 -10.6930 -10.6930 -10.6096 -10.6096 -6.1514 -6.1514 -5.9811 -5.9811 -5.3393 -5.3393 -5.3076 -5.3076 -1.3963 -1.3963 -1.3713 -1.3713 -0.1706 -0.1706 0.0290 0.0290 0.2471 0.2471 0.2901 0.2901 0.3860 0.3860 0.5923 0.5923 0.7806 0.7806 1.1134 1.1134 1.1463 1.1463 1.4583 1.4583 1.5494 1.5494 1.8107 1.8107 2.3626 2.3626 2.4955 2.4955 2.9612 2.9612 3.0386 3.0386 5.7534 5.7534 7.7352 7.7352 8.1212 8.1212 8.6476 8.6476 8.9135 8.9135 k = 0.0000 0.0000 0.1279 ( 6652 PWs) bands (ev): -15.9651 -15.9651 -15.8831 -15.8831 -10.6932 -10.6932 -10.6103 -10.6103 -6.1518 -6.1518 -5.9807 -5.9807 -5.3378 -5.3378 -5.3064 -5.3064 -1.3913 -1.3913 -1.3628 -1.3628 -0.1744 -0.1744 0.0224 0.0224 0.2456 0.2456 0.2887 0.2887 0.3862 0.3862 0.5862 0.5862 0.7813 0.7813 1.1134 1.1134 1.1458 1.1458 1.4591 1.4591 1.5358 1.5358 1.8060 1.8060 2.3571 2.3571 2.4889 2.4889 2.9644 2.9644 3.0426 3.0426 5.8014 5.8014 7.7655 7.7655 8.1413 8.1413 8.6108 8.6108 8.9305 8.9305 k = 0.0000 0.0000 0.1461 ( 6652 PWs) bands (ev): -15.9647 -15.9647 -15.8833 -15.8833 -10.6936 -10.6936 -10.6111 -10.6111 -6.1523 -6.1523 -5.9802 -5.9802 -5.3362 -5.3362 -5.3051 -5.3051 -1.3857 -1.3857 -1.3532 -1.3532 -0.1784 -0.1784 0.0150 0.0150 0.2440 0.2440 0.2869 0.2869 0.3865 0.3865 0.5793 0.5793 0.7821 0.7821 1.1135 1.1135 1.1452 1.1452 1.4598 1.4598 1.5214 1.5214 1.8007 1.8007 2.3510 2.3510 2.4823 2.4823 2.9681 2.9681 3.0469 3.0469 5.8552 5.8552 7.7997 7.7997 8.1638 8.1638 8.5703 8.5703 8.9480 8.9480 k = 0.0000 0.0000 0.1644 ( 6646 PWs) bands (ev): -15.9644 -15.9644 -15.8835 -15.8835 -10.6939 -10.6939 -10.6119 -10.6119 -6.1528 -6.1528 -5.9796 -5.9796 -5.3344 -5.3344 -5.3036 -5.3036 -1.3796 -1.3796 -1.3427 -1.3427 -0.1827 -0.1827 0.0068 0.0068 0.2423 0.2423 0.2847 0.2847 0.3869 0.3869 0.5716 0.5716 0.7829 0.7829 1.1137 1.1137 1.1445 1.1445 1.4601 1.4601 1.5068 1.5068 1.7948 1.7948 2.3443 2.3443 2.4757 2.4757 2.9722 2.9722 3.0513 3.0513 5.9143 5.9143 7.8375 7.8375 8.1883 8.1883 8.5261 8.5261 8.9657 8.9657 k = 0.0000 0.0000 0.1827 ( 6645 PWs) bands (ev): -15.9639 -15.9639 -15.8838 -15.8838 -10.6942 -10.6942 -10.6128 -10.6128 -6.1533 -6.1533 -5.9791 -5.9791 -5.3325 -5.3325 -5.3021 -5.3021 -1.3731 -1.3731 -1.3314 -1.3314 -0.1871 -0.1871 -0.0020 -0.0020 0.2406 0.2406 0.2822 0.2822 0.3873 0.3873 0.5631 0.5631 0.7838 0.7838 1.1138 1.1138 1.1438 1.1438 1.4590 1.4590 1.4933 1.4933 1.7883 1.7883 2.3371 2.3371 2.4694 2.4694 2.9767 2.9767 3.0557 3.0557 5.9781 5.9781 7.8785 7.8785 8.2146 8.2146 8.4783 8.4783 8.9836 8.9836 k = 0.0000 0.0000 0.2009 ( 6646 PWs) bands (ev): -15.9635 -15.9635 -15.8841 -15.8841 -10.6946 -10.6946 -10.6137 -10.6137 -6.1539 -6.1539 -5.9785 -5.9785 -5.3305 -5.3305 -5.3006 -5.3006 -1.3662 -1.3662 -1.3194 -1.3194 -0.1915 -0.1915 -0.0114 -0.0114 0.2389 0.2389 0.2793 0.2793 0.3879 0.3879 0.5541 0.5541 0.7847 0.7847 1.1139 1.1139 1.1430 1.1430 1.4544 1.4544 1.4831 1.4831 1.7815 1.7815 2.3295 2.3295 2.4636 2.4636 2.9813 2.9813 3.0601 3.0601 6.0459 6.0459 7.9221 7.9221 8.2421 8.2421 8.4271 8.4271 9.0014 9.0014 k = 0.0000 0.0000 0.2192 ( 6645 PWs) bands (ev): -15.9631 -15.9631 -15.8844 -15.8844 -10.6950 -10.6950 -10.6146 -10.6146 -6.1544 -6.1544 -5.9779 -5.9779 -5.3285 -5.3285 -5.2990 -5.2990 -1.3591 -1.3591 -1.3070 -1.3070 -0.1959 -0.1959 -0.0214 -0.0214 0.2371 0.2371 0.2761 0.2761 0.3885 0.3885 0.5445 0.5445 0.7856 0.7856 1.1140 1.1140 1.1422 1.1422 1.4447 1.4447 1.4784 1.4784 1.7745 1.7745 2.3215 2.3215 2.4584 2.4584 2.9862 2.9862 3.0644 3.0644 6.1173 6.1173 7.9677 7.9677 8.2701 8.2701 8.3734 8.3734 9.0190 9.0190 k = 0.0000 0.0000 0.2375 ( 6649 PWs) bands (ev): -15.9626 -15.9626 -15.8847 -15.8847 -10.6953 -10.6953 -10.6155 -10.6155 -6.1549 -6.1549 -5.9773 -5.9773 -5.3265 -5.3265 -5.2974 -5.2974 -1.3520 -1.3520 -1.2943 -1.2943 -0.2001 -0.2001 -0.0316 -0.0316 0.2355 0.2355 0.2725 0.2725 0.3893 0.3893 0.5346 0.5346 0.7865 0.7865 1.1142 1.1142 1.1413 1.1413 1.4318 1.4318 1.4773 1.4773 1.7674 1.7674 2.3135 2.3135 2.4537 2.4537 2.9911 2.9911 3.0686 3.0686 6.1913 6.1913 8.0144 8.0144 8.2935 8.2935 8.3225 8.3225 9.0358 9.0358 k = 0.0000 0.0000 0.2557 ( 6645 PWs) bands (ev): -15.9622 -15.9622 -15.8850 -15.8850 -10.6957 -10.6957 -10.6164 -10.6164 -6.1555 -6.1555 -5.9768 -5.9768 -5.3245 -5.3245 -5.2959 -5.2959 -1.3448 -1.3448 -1.2816 -1.2816 -0.2039 -0.2039 -0.0422 -0.0422 0.2339 0.2339 0.2687 0.2687 0.3900 0.3900 0.5245 0.5245 0.7874 0.7874 1.1144 1.1144 1.1404 1.1404 1.4181 1.4181 1.4777 1.4777 1.7605 1.7605 2.3054 2.3054 2.4497 2.4497 2.9961 2.9961 3.0725 3.0725 6.2675 6.2675 8.0603 8.0603 8.2555 8.2555 8.3323 8.3323 9.0518 9.0518 k = 0.0000 0.0000 0.2740 ( 6649 PWs) bands (ev): -15.9618 -15.9618 -15.8853 -15.8853 -10.6960 -10.6960 -10.6172 -10.6172 -6.1560 -6.1560 -5.9762 -5.9762 -5.3225 -5.3225 -5.2945 -5.2945 -1.3377 -1.3377 -1.2690 -1.2690 -0.2073 -0.2073 -0.0528 -0.0528 0.2324 0.2324 0.2648 0.2648 0.3908 0.3908 0.5145 0.5145 0.7882 0.7882 1.1145 1.1145 1.1394 1.1394 1.4047 1.4047 1.4787 1.4787 1.7539 1.7539 2.2975 2.2975 2.4463 2.4463 3.0009 3.0009 3.0761 3.0761 6.3449 6.3449 8.0982 8.0982 8.2055 8.2055 8.3599 8.3599 9.0664 9.0664 k = 0.0000 0.0000 0.2923 ( 6651 PWs) bands (ev): -15.9614 -15.9614 -15.8856 -15.8856 -10.6964 -10.6964 -10.6181 -10.6181 -6.1564 -6.1564 -5.9757 -5.9757 -5.3207 -5.3207 -5.2931 -5.2931 -1.3309 -1.3309 -1.2569 -1.2569 -0.2102 -0.2102 -0.0635 -0.0635 0.2311 0.2311 0.2607 0.2607 0.3917 0.3917 0.5047 0.5047 0.7890 0.7890 1.1147 1.1147 1.1385 1.1385 1.3921 1.3921 1.4798 1.4798 1.7476 1.7476 2.2899 2.2899 2.4434 2.4434 3.0055 3.0055 3.0794 3.0794 6.4228 6.4228 8.0940 8.0940 8.1948 8.1948 8.3872 8.3872 9.0795 9.0795 k = 0.0000 0.0000 0.3105 ( 6650 PWs) bands (ev): -15.9610 -15.9610 -15.8858 -15.8858 -10.6967 -10.6967 -10.6188 -10.6188 -6.1569 -6.1569 -5.9752 -5.9752 -5.3189 -5.3189 -5.2918 -5.2918 -1.3245 -1.3245 -1.2453 -1.2453 -0.2125 -0.2125 -0.0739 -0.0739 0.2301 0.2301 0.2566 0.2566 0.3925 0.3925 0.4954 0.4954 0.7897 0.7897 1.1149 1.1149 1.1377 1.1377 1.3807 1.3807 1.4811 1.4811 1.7419 1.7419 2.2827 2.2827 2.4410 2.4410 3.0099 3.0099 3.0824 3.0824 6.5000 6.5000 8.0429 8.0429 8.2290 8.2290 8.4131 8.4131 9.0907 9.0907 k = 0.0000 0.0000 0.3288 ( 6647 PWs) bands (ev): -15.9606 -15.9606 -15.8861 -15.8861 -10.6969 -10.6969 -10.6195 -10.6195 -6.1573 -6.1573 -5.9748 -5.9748 -5.3174 -5.3174 -5.2907 -5.2907 -1.3186 -1.3186 -1.2347 -1.2347 -0.2142 -0.2142 -0.0839 -0.0839 0.2293 0.2293 0.2526 0.2526 0.3933 0.3933 0.4868 0.4868 0.7904 0.7904 1.1150 1.1150 1.1369 1.1369 1.3706 1.3706 1.4822 1.4822 1.7368 1.7368 2.2762 2.2762 2.4391 2.4391 3.0139 3.0139 3.0851 3.0851 6.5753 6.5753 7.9823 7.9823 8.2707 8.2707 8.4369 8.4369 9.0998 9.0998 k = 0.0000 0.0000 0.3471 ( 6653 PWs) bands (ev): -15.9603 -15.9603 -15.8863 -15.8863 -10.6972 -10.6972 -10.6201 -10.6201 -6.1576 -6.1576 -5.9744 -5.9744 -5.3160 -5.3160 -5.2898 -5.2898 -1.3135 -1.3135 -1.2253 -1.2253 -0.2153 -0.2153 -0.0932 -0.0932 0.2287 0.2287 0.2487 0.2487 0.3940 0.3940 0.4791 0.4791 0.7910 0.7910 1.1152 1.1152 1.1361 1.1361 1.3619 1.3619 1.4833 1.4833 1.7324 1.7324 2.2703 2.2703 2.4377 2.4377 3.0173 3.0173 3.0873 3.0873 6.6471 6.6471 7.9214 7.9214 8.3111 8.3111 8.4579 8.4579 9.1069 9.1069 k = 0.0000 0.0000 0.3653 ( 6656 PWs) bands (ev): -15.9601 -15.9601 -15.8864 -15.8864 -10.6974 -10.6974 -10.6206 -10.6206 -6.1579 -6.1579 -5.9741 -5.9741 -5.3148 -5.3148 -5.2890 -5.2890 -1.3091 -1.3091 -1.2172 -1.2172 -0.2158 -0.2158 -0.1016 -0.1016 0.2285 0.2285 0.2451 0.2451 0.3947 0.3947 0.4725 0.4725 0.7915 0.7915 1.1153 1.1153 1.1355 1.1355 1.3547 1.3547 1.4842 1.4842 1.7287 1.7287 2.2654 2.2654 2.4365 2.4365 3.0203 3.0203 3.0892 3.0892 6.7132 6.7132 7.8638 7.8638 8.3475 8.3475 8.4757 8.4757 9.1121 9.1121 k = 0.0000 0.0000 0.3836 ( 6655 PWs) bands (ev): -15.9599 -15.9599 -15.8866 -15.8866 -10.6975 -10.6975 -10.6210 -10.6210 -6.1582 -6.1582 -5.9738 -5.9738 -5.3138 -5.3138 -5.2883 -5.2883 -1.3055 -1.3055 -1.2106 -1.2106 -0.2159 -0.2159 -0.1086 -0.1086 0.2287 0.2287 0.2419 0.2419 0.3953 0.3953 0.4672 0.4672 0.7919 0.7919 1.1154 1.1154 1.1350 1.1350 1.3490 1.3490 1.4849 1.4849 1.7259 1.7259 2.2614 2.2614 2.4357 2.4357 3.0226 3.0226 3.0907 3.0907 6.7708 6.7708 7.8127 7.8127 8.3781 8.3781 8.4898 8.4898 9.1155 9.1155 k = 0.0000 0.0000 0.4019 ( 6663 PWs) bands (ev): -15.9597 -15.9597 -15.8867 -15.8867 -10.6976 -10.6976 -10.6213 -10.6213 -6.1583 -6.1583 -5.9737 -5.9737 -5.3132 -5.3132 -5.2879 -5.2879 -1.3029 -1.3029 -1.2058 -1.2058 -0.2158 -0.2158 -0.1141 -0.1141 0.2291 0.2291 0.2391 0.2391 0.3957 0.3957 0.4633 0.4633 0.7921 0.7921 1.1155 1.1155 1.1345 1.1345 1.3450 1.3450 1.4855 1.4855 1.7238 1.7238 2.2585 2.2585 2.4351 2.4351 3.0243 3.0243 3.0917 3.0917 6.8164 6.8164 7.7717 7.7717 8.4013 8.4013 8.4999 8.4999 9.1175 9.1175 k = 0.0000 0.0000 0.4201 ( 6672 PWs) bands (ev): -15.9596 -15.9596 -15.8868 -15.8868 -10.6977 -10.6977 -10.6215 -10.6215 -6.1585 -6.1585 -5.9736 -5.9736 -5.3128 -5.3128 -5.2876 -5.2876 -1.3013 -1.3013 -1.2029 -1.2029 -0.2156 -0.2156 -0.1175 -0.1175 0.2296 0.2296 0.2371 0.2371 0.3960 0.3960 0.4609 0.4609 0.7923 0.7923 1.1156 1.1156 1.1343 1.1343 1.3425 1.3425 1.4858 1.4858 1.7225 1.7225 2.2568 2.2568 2.4348 2.4348 3.0254 3.0254 3.0924 3.0924 6.8460 6.8460 7.7448 7.7448 8.4159 8.4159 8.5059 8.5059 9.1185 9.1185 k = 0.0000 0.0000 0.4384 ( 6674 PWs) bands (ev): -15.9596 -15.9596 -15.8868 -15.8868 -10.6977 -10.6977 -10.6216 -10.6216 -6.1585 -6.1585 -5.9735 -5.9735 -5.3126 -5.3126 -5.2875 -5.2875 -1.3008 -1.3008 -1.2019 -1.2019 -0.2155 -0.2155 -0.1187 -0.1187 0.2299 0.2299 0.2363 0.2363 0.3960 0.3960 0.4601 0.4601 0.7924 0.7924 1.1156 1.1156 1.1342 1.1342 1.3417 1.3417 1.4859 1.4859 1.7221 1.7221 2.2562 2.2562 2.4347 2.4347 3.0257 3.0257 3.0926 3.0926 6.8563 6.8563 7.7353 7.7353 8.4209 8.4209 8.5080 8.5080 9.1188 9.1188 k = 0.0000 0.0000 0.4384 ( 6674 PWs) bands (ev): -15.9596 -15.9596 -15.8868 -15.8868 -10.6977 -10.6977 -10.6216 -10.6216 -6.1585 -6.1585 -5.9735 -5.9735 -5.3126 -5.3126 -5.2875 -5.2875 -1.3008 -1.3008 -1.2019 -1.2019 -0.2155 -0.2155 -0.1187 -0.1187 0.2299 0.2299 0.2363 0.2363 0.3960 0.3960 0.4601 0.4601 0.7924 0.7924 1.1156 1.1156 1.1342 1.1342 1.3417 1.3417 1.4859 1.4859 1.7221 1.7221 2.2562 2.2562 2.4347 2.4347 3.0257 3.0257 3.0926 3.0926 6.8563 6.8563 7.7353 7.7353 8.4209 8.4209 8.5080 8.5080 9.1188 9.1188 k = 0.0000 0.0182 0.4384 ( 6668 PWs) bands (ev): -15.9595 -15.9595 -15.8867 -15.8867 -10.6976 -10.6976 -10.6215 -10.6215 -6.1584 -6.1584 -5.9735 -5.9735 -5.3128 -5.3128 -5.2877 -5.2877 -1.3014 -1.3014 -1.2025 -1.2025 -0.2148 -0.2148 -0.1181 -0.1181 0.2289 0.2289 0.2373 0.2373 0.3958 0.3958 0.4604 0.4604 0.7917 0.7917 1.1121 1.1121 1.1379 1.1379 1.3420 1.3420 1.4865 1.4865 1.7212 1.7212 2.2564 2.2564 2.4344 2.4344 3.0236 3.0236 3.0907 3.0907 6.8576 6.8576 7.7398 7.7398 8.4216 8.4216 8.5078 8.5078 9.1212 9.1212 k = 0.0000 0.0364 0.4384 ( 6660 PWs) bands (ev): -15.9594 -15.9594 -15.8866 -15.8866 -10.6971 -10.6971 -10.6211 -10.6211 -6.1582 -6.1582 -5.9733 -5.9733 -5.3135 -5.3135 -5.2881 -5.2881 -1.3032 -1.3032 -1.2041 -1.2041 -0.2127 -0.2127 -0.1162 -0.1162 0.2269 0.2269 0.2395 0.2395 0.3951 0.3951 0.4614 0.4614 0.7897 0.7897 1.1052 1.1052 1.1453 1.1453 1.3428 1.3428 1.4884 1.4884 1.7186 1.7186 2.2570 2.2570 2.4338 2.4338 3.0171 3.0171 3.0853 3.0853 6.8613 6.8613 7.7532 7.7532 8.4239 8.4239 8.5073 8.5073 9.1281 9.1281 k = 0.0000 0.0545 0.4384 ( 6653 PWs) bands (ev): -15.9592 -15.9592 -15.8864 -15.8864 -10.6962 -10.6962 -10.6206 -10.6206 -6.1578 -6.1578 -5.9731 -5.9731 -5.3146 -5.3146 -5.2889 -5.2889 -1.3062 -1.3062 -1.2068 -1.2068 -0.2093 -0.2093 -0.1133 -0.1133 0.2245 0.2245 0.2421 0.2421 0.3939 0.3939 0.4631 0.4631 0.7865 0.7865 1.0979 1.0979 1.1532 1.1532 1.3442 1.3442 1.4916 1.4916 1.7143 1.7143 2.2581 2.2581 2.4327 2.4327 3.0066 3.0066 3.0763 3.0763 6.8674 6.8674 7.7748 7.7748 8.4278 8.4278 8.5066 8.5066 9.1395 9.1395 k = 0.0000 0.0727 0.4384 ( 6655 PWs) bands (ev): -15.9589 -15.9589 -15.8862 -15.8862 -10.6950 -10.6950 -10.6198 -10.6198 -6.1573 -6.1573 -5.9727 -5.9727 -5.3161 -5.3161 -5.2900 -5.2900 -1.3104 -1.3104 -1.2105 -1.2105 -0.2046 -0.2046 -0.1092 -0.1092 0.2221 0.2221 0.2448 0.2448 0.3922 0.3922 0.4655 0.4655 0.7822 0.7822 1.0908 1.0908 1.1605 1.1605 1.3462 1.3462 1.4962 1.4962 1.7083 1.7083 2.2595 2.2595 2.4312 2.4312 2.9925 2.9925 3.0637 3.0637 6.8759 6.8759 7.8038 7.8038 8.4337 8.4337 8.5056 8.5056 9.1552 9.1552 k = 0.0000 0.0909 0.4384 ( 6651 PWs) bands (ev): -15.9586 -15.9586 -15.8859 -15.8859 -10.6935 -10.6935 -10.6188 -10.6188 -6.1566 -6.1566 -5.9722 -5.9722 -5.3180 -5.3180 -5.2914 -5.2914 -1.3158 -1.3158 -1.2152 -1.2152 -0.1986 -0.1986 -0.1042 -0.1042 0.2196 0.2196 0.2475 0.2475 0.3902 0.3902 0.4685 0.4685 0.7769 0.7769 1.0842 1.0842 1.1669 1.1669 1.3487 1.3487 1.5021 1.5021 1.7008 1.7008 2.2612 2.2612 2.4293 2.4293 2.9749 2.9749 3.0478 3.0478 6.8867 6.8867 7.8390 7.8390 8.4419 8.4419 8.5047 8.5047 9.1748 9.1748 k = 0.0000 0.1091 0.4384 ( 6657 PWs) bands (ev): -15.9581 -15.9581 -15.8855 -15.8855 -10.6917 -10.6917 -10.6176 -10.6176 -6.1558 -6.1558 -5.9717 -5.9717 -5.3204 -5.3204 -5.2932 -5.2932 -1.3224 -1.3224 -1.2207 -1.2207 -0.1913 -0.1913 -0.0982 -0.0982 0.2172 0.2172 0.2503 0.2503 0.3879 0.3879 0.4722 0.4722 0.7709 0.7709 1.0782 1.0782 1.1718 1.1718 1.3518 1.3518 1.5094 1.5094 1.6919 1.6919 2.2632 2.2632 2.4269 2.4269 2.9546 2.9546 3.0287 3.0287 6.8996 6.8996 7.8786 7.8786 8.4524 8.4524 8.5046 8.5046 9.1981 9.1981 k = 0.0000 0.1273 0.4384 ( 6654 PWs) bands (ev): -15.9576 -15.9576 -15.8851 -15.8851 -10.6896 -10.6896 -10.6162 -10.6162 -6.1549 -6.1549 -5.9710 -5.9710 -5.3231 -5.3231 -5.2952 -5.2952 -1.3301 -1.3301 -1.2270 -1.2270 -0.1829 -0.1829 -0.0916 -0.0916 0.2148 0.2148 0.2530 0.2530 0.3853 0.3853 0.4765 0.4765 0.7644 0.7644 1.0728 1.0728 1.1751 1.1751 1.3555 1.3555 1.5178 1.5178 1.6820 1.6820 2.2654 2.2654 2.4240 2.4240 2.9319 2.9319 3.0068 3.0068 6.9144 6.9144 7.9205 7.9205 8.4642 8.4642 8.5076 8.5076 9.2244 9.2244 k = 0.0000 0.1454 0.4384 ( 6656 PWs) bands (ev): -15.9570 -15.9570 -15.8846 -15.8846 -10.6872 -10.6872 -10.6146 -10.6146 -6.1538 -6.1538 -5.9703 -5.9703 -5.3262 -5.3262 -5.2975 -5.2975 -1.3389 -1.3389 -1.2339 -1.2339 -0.1733 -0.1733 -0.0843 -0.0843 0.2124 0.2124 0.2557 0.2557 0.3827 0.3827 0.4815 0.4815 0.7576 0.7576 1.0679 1.0679 1.1764 1.1764 1.3595 1.3595 1.5271 1.5271 1.6716 1.6716 2.2676 2.2676 2.4207 2.4207 2.9074 2.9074 2.9823 2.9823 6.9308 6.9308 7.9623 7.9623 8.4725 8.4725 8.5200 8.5200 9.2532 9.2532 k = 0.0000 0.1636 0.4384 ( 6665 PWs) bands (ev): -15.9564 -15.9564 -15.8840 -15.8840 -10.6845 -10.6845 -10.6129 -10.6129 -6.1526 -6.1526 -5.9695 -5.9695 -5.3296 -5.3296 -5.3001 -5.3001 -1.3488 -1.3488 -1.2413 -1.2413 -0.1626 -0.1626 -0.0765 -0.0765 0.2100 0.2100 0.2582 0.2582 0.3800 0.3800 0.4871 0.4871 0.7506 0.7506 1.0635 1.0635 1.1758 1.1758 1.3638 1.3638 1.5362 1.5362 1.6616 1.6616 2.2699 2.2699 2.4169 2.4169 2.8815 2.8815 2.9556 2.9556 6.9485 6.9485 8.0012 8.0012 8.4739 8.4739 8.5467 8.5467 9.2837 9.2837 k = 0.0000 0.1818 0.4384 ( 6654 PWs) bands (ev): -15.9557 -15.9557 -15.8834 -15.8834 -10.6815 -10.6815 -10.6109 -10.6109 -6.1513 -6.1513 -5.9686 -5.9686 -5.3333 -5.3333 -5.3029 -5.3029 -1.3596 -1.3596 -1.2492 -1.2492 -0.1511 -0.1511 -0.0684 -0.0684 0.2076 0.2076 0.2606 0.2606 0.3776 0.3776 0.4935 0.4935 0.7438 0.7438 1.0595 1.0595 1.1733 1.1733 1.3681 1.3681 1.5438 1.5438 1.6536 1.6536 2.2721 2.2721 2.4126 2.4126 2.8548 2.8548 2.9273 2.9273 6.9672 6.9672 8.0348 8.0348 8.4710 8.4710 8.5868 8.5868 9.3152 9.3152 k = 0.0000 0.2000 0.4384 ( 6649 PWs) bands (ev): -15.9549 -15.9549 -15.8827 -15.8827 -10.6783 -10.6783 -10.6088 -10.6088 -6.1499 -6.1499 -5.9676 -5.9676 -5.3372 -5.3372 -5.3059 -5.3059 -1.3714 -1.3714 -1.2575 -1.2575 -0.1387 -0.1387 -0.0601 -0.0601 0.2051 0.2051 0.2628 0.2628 0.3755 0.3755 0.5006 0.5006 0.7372 0.7372 1.0559 1.0559 1.1690 1.1690 1.3721 1.3721 1.5475 1.5475 1.6502 1.6502 2.2741 2.2741 2.4079 2.4079 2.8276 2.8276 2.8976 2.8976 6.9865 6.9865 8.0615 8.0615 8.4658 8.4658 8.6388 8.6388 9.3466 9.3466 k = 0.0000 0.2182 0.4384 ( 6658 PWs) bands (ev): -15.9541 -15.9541 -15.8821 -15.8821 -10.6749 -10.6749 -10.6066 -10.6066 -6.1484 -6.1484 -5.9666 -5.9666 -5.3415 -5.3415 -5.3092 -5.3092 -1.3840 -1.3840 -1.2660 -1.2660 -0.1257 -0.1257 -0.0517 -0.0517 0.2025 0.2025 0.2646 0.2646 0.3739 0.3739 0.5083 0.5083 0.7310 0.7310 1.0525 1.0525 1.1629 1.1629 1.3756 1.3756 1.5450 1.5450 1.6535 1.6535 2.2758 2.2758 2.4027 2.4027 2.8004 2.8004 2.8670 2.8670 7.0060 7.0060 8.0804 8.0804 8.4591 8.4591 8.7015 8.7015 9.3771 9.3771 k = 0.0000 0.2363 0.4384 ( 6648 PWs) bands (ev): -15.9532 -15.9532 -15.8813 -15.8813 -10.6713 -10.6713 -10.6043 -10.6043 -6.1468 -6.1468 -5.9655 -5.9655 -5.3459 -5.3459 -5.3127 -5.3127 -1.3973 -1.3973 -1.2748 -1.2748 -0.1122 -0.1122 -0.0433 -0.0433 0.1997 0.1997 0.2662 0.2662 0.3731 0.3731 0.5166 0.5166 0.7254 0.7254 1.0494 1.0494 1.1555 1.1555 1.3780 1.3780 1.5365 1.5365 1.6638 1.6638 2.2770 2.2770 2.3971 2.3971 2.7736 2.7736 2.8361 2.8361 7.0254 7.0254 8.0918 8.0918 8.4513 8.4513 8.7736 8.7736 9.4056 9.4056 k = 0.0000 0.2545 0.4384 ( 6646 PWs) bands (ev): -15.9523 -15.9523 -15.8805 -15.8805 -10.6676 -10.6676 -10.6018 -10.6018 -6.1451 -6.1451 -5.9643 -5.9643 -5.3505 -5.3505 -5.3163 -5.3163 -1.4112 -1.4112 -1.2836 -1.2836 -0.0984 -0.0984 -0.0350 -0.0350 0.1966 0.1966 0.2675 0.2675 0.3731 0.3731 0.5254 0.5254 0.7204 0.7204 1.0463 1.0463 1.1468 1.1468 1.3788 1.3788 1.5242 1.5242 1.6793 1.6793 2.2777 2.2777 2.3911 2.3911 2.7473 2.7473 2.8051 2.8051 7.0444 7.0444 8.0967 8.0967 8.4424 8.4424 8.8530 8.8530 9.4311 9.4311 k = 0.0000 0.2727 0.4384 ( 6650 PWs) bands (ev): -15.9513 -15.9513 -15.8797 -15.8797 -10.6636 -10.6636 -10.5992 -10.5992 -6.1434 -6.1434 -5.9631 -5.9631 -5.3552 -5.3552 -5.3201 -5.3201 -1.4255 -1.4255 -1.2926 -1.2926 -0.0846 -0.0846 -0.0268 -0.0268 0.1931 0.1931 0.2686 0.2686 0.3741 0.3741 0.5347 0.5347 0.7162 0.7162 1.0432 1.0432 1.1370 1.1370 1.3773 1.3773 1.5103 1.5103 1.6981 1.6981 2.2775 2.2775 2.3849 2.3849 2.7218 2.7218 2.7746 2.7746 7.0625 7.0625 8.0960 8.0960 8.4326 8.4326 8.9379 8.9379 9.4528 9.4528 k = 0.0000 0.2909 0.4384 ( 6659 PWs) bands (ev): -15.9504 -15.9504 -15.8789 -15.8789 -10.6596 -10.6596 -10.5966 -10.5966 -6.1417 -6.1417 -5.9619 -5.9619 -5.3601 -5.3601 -5.3240 -5.3240 -1.4403 -1.4403 -1.3015 -1.3015 -0.0711 -0.0711 -0.0186 -0.0186 0.1892 0.1892 0.2696 0.2696 0.3760 0.3760 0.5443 0.5443 0.7129 0.7129 1.0401 1.0401 1.1263 1.1263 1.3727 1.3727 1.4970 1.4970 1.7192 1.7192 2.2763 2.2763 2.3784 2.3784 2.6971 2.6971 2.7450 2.7450 7.0796 7.0796 8.0907 8.0907 8.4218 8.4218 9.0263 9.0263 9.4701 9.4701 k = 0.0000 0.3091 0.4384 ( 6657 PWs) bands (ev): -15.9494 -15.9494 -15.8781 -15.8781 -10.6554 -10.6554 -10.5939 -10.5939 -6.1398 -6.1398 -5.9606 -5.9606 -5.3651 -5.3651 -5.3281 -5.3281 -1.4552 -1.4552 -1.3104 -1.3104 -0.0583 -0.0583 -0.0103 -0.0103 0.1848 0.1848 0.2706 0.2706 0.3790 0.3790 0.5541 0.5541 0.7108 0.7108 1.0367 1.0367 1.1152 1.1152 1.3643 1.3643 1.4858 1.4858 1.7417 1.7417 2.2740 2.2740 2.3719 2.3719 2.6735 2.6735 2.7168 2.7168 7.0954 7.0954 8.0817 8.0817 8.4102 8.4102 9.1165 9.1165 9.4827 9.4827 k = 0.0000 0.3273 0.4384 ( 6658 PWs) bands (ev): -15.9484 -15.9484 -15.8772 -15.8772 -10.6512 -10.6512 -10.5911 -10.5911 -6.1380 -6.1380 -5.9593 -5.9593 -5.3701 -5.3701 -5.3321 -5.3321 -1.4702 -1.4702 -1.3192 -1.3192 -0.0465 -0.0465 -0.0019 -0.0019 0.1798 0.1798 0.2718 0.2718 0.3828 0.3828 0.5638 0.5638 0.7099 0.7099 1.0329 1.0329 1.1036 1.1036 1.3516 1.3516 1.4774 1.4774 1.7653 1.7653 2.2703 2.2703 2.3655 2.3655 2.6506 2.6506 2.6905 2.6905 7.1097 7.1097 8.0699 8.0699 8.3979 8.3979 9.2070 9.2070 9.4906 9.4906 k = 0.0000 0.3454 0.4384 ( 6660 PWs) bands (ev): -15.9473 -15.9473 -15.8763 -15.8763 -10.6470 -10.6470 -10.5883 -10.5883 -6.1362 -6.1362 -5.9580 -5.9580 -5.3751 -5.3751 -5.3363 -5.3363 -1.4851 -1.4851 -1.3278 -1.3278 -0.0360 -0.0360 0.0068 0.0068 0.1744 0.1744 0.2734 0.2734 0.3876 0.3876 0.5732 0.5732 0.7105 0.7105 1.0285 1.0285 1.0922 1.0922 1.3352 1.3352 1.4717 1.4717 1.7894 1.7894 2.2651 2.2651 2.3593 2.3593 2.6284 2.6284 2.6666 2.6666 7.1224 7.1224 8.0559 8.0559 8.3849 8.3849 9.2957 9.2957 9.4946 9.4946 k = 0.0000 0.3636 0.4384 ( 6660 PWs) bands (ev): -15.9463 -15.9463 -15.8755 -15.8755 -10.6427 -10.6427 -10.5855 -10.5855 -6.1343 -6.1343 -5.9567 -5.9567 -5.3802 -5.3802 -5.3404 -5.3404 -1.4999 -1.4999 -1.3361 -1.3361 -0.0272 -0.0272 0.0158 0.0158 0.1685 0.1685 0.2754 0.2754 0.3930 0.3930 0.5819 0.5819 0.7129 0.7129 1.0229 1.0229 1.0811 1.0811 1.3161 1.3161 1.4682 1.4682 1.8140 1.8140 2.2582 2.2582 2.3535 2.3535 2.6067 2.6067 2.6454 2.6454 7.1332 7.1332 8.0404 8.0404 8.3712 8.3712 9.3797 9.3797 9.4969 9.4969 k = 0.0000 0.3818 0.4384 ( 6660 PWs) bands (ev): -15.9453 -15.9453 -15.8746 -15.8746 -10.6385 -10.6385 -10.5827 -10.5827 -6.1324 -6.1324 -5.9554 -5.9554 -5.3852 -5.3852 -5.3445 -5.3445 -1.5143 -1.5143 -1.3441 -1.3441 -0.0199 -0.0199 0.0250 0.0250 0.1622 0.1622 0.2779 0.2779 0.3990 0.3990 0.5897 0.5897 0.7170 0.7170 1.0159 1.0159 1.0710 1.0710 1.2954 1.2954 1.4662 1.4662 1.8388 1.8388 2.2498 2.2498 2.3480 2.3480 2.5857 2.5857 2.6272 2.6272 7.1423 7.1423 8.0241 8.0241 8.3571 8.3571 9.4451 9.4451 9.5104 9.5104 k = 0.0000 0.4000 0.4384 ( 6656 PWs) bands (ev): -15.9443 -15.9443 -15.8737 -15.8737 -10.6343 -10.6343 -10.5800 -10.5800 -6.1306 -6.1306 -5.9541 -5.9541 -5.3901 -5.3901 -5.3486 -5.3486 -1.5284 -1.5284 -1.3518 -1.3518 -0.0139 -0.0139 0.0339 0.0339 0.1556 0.1556 0.2809 0.2809 0.4055 0.4055 0.5966 0.5966 0.7230 0.7230 1.0071 1.0071 1.0621 1.0621 1.2739 1.2739 1.4651 1.4651 1.8635 1.8635 2.2398 2.2398 2.3429 2.3429 2.5655 2.5655 2.6115 2.6115 7.1496 7.1496 8.0074 8.0074 8.3427 8.3427 9.4609 9.4609 9.5656 9.5656 k = 0.0000 0.4182 0.4384 ( 6660 PWs) bands (ev): -15.9433 -15.9433 -15.8729 -15.8729 -10.6301 -10.6301 -10.5772 -10.5772 -6.1288 -6.1288 -5.9529 -5.9529 -5.3949 -5.3949 -5.3527 -5.3527 -1.5419 -1.5419 -1.3591 -1.3591 -0.0092 -0.0092 0.0421 0.0421 0.1489 0.1489 0.2843 0.2843 0.4123 0.4123 0.6023 0.6023 0.7307 0.7307 0.9965 0.9965 1.0545 1.0545 1.2523 1.2523 1.4646 1.4646 1.8880 1.8880 2.2285 2.2285 2.3380 2.3380 2.5465 2.5465 2.5982 2.5982 7.1551 7.1551 7.9910 7.9910 8.3279 8.3279 9.4546 9.4546 9.6341 9.6341 k = 0.0000 0.4363 0.4384 ( 6664 PWs) bands (ev): -15.9424 -15.9424 -15.8720 -15.8720 -10.6261 -10.6261 -10.5746 -10.5746 -6.1271 -6.1271 -5.9516 -5.9516 -5.3996 -5.3996 -5.3566 -5.3566 -1.5549 -1.5549 -1.3659 -1.3659 -0.0053 -0.0053 0.0495 0.0495 0.1421 0.1421 0.2881 0.2881 0.4192 0.4192 0.6073 0.6073 0.7398 0.7398 0.9844 0.9844 1.0481 1.0481 1.2312 1.2312 1.4645 1.4645 1.9123 1.9123 2.2160 2.2160 2.3333 2.3333 2.5291 2.5291 2.5869 2.5869 7.1589 7.1589 7.9754 7.9754 8.3131 8.3131 9.4430 9.4430 9.6976 9.6976 k = 0.0000 0.4545 0.4384 ( 6665 PWs) bands (ev): -15.9414 -15.9414 -15.8712 -15.8712 -10.6223 -10.6223 -10.5720 -10.5720 -6.1254 -6.1254 -5.9504 -5.9504 -5.4041 -5.4041 -5.3604 -5.3604 -1.5670 -1.5670 -1.3722 -1.3722 -0.0021 -0.0021 0.0558 0.0558 0.1354 0.1354 0.2922 0.2922 0.4260 0.4260 0.6116 0.6116 0.7500 0.7500 0.9711 0.9711 1.0424 1.0424 1.2110 1.2110 1.4646 1.4646 1.9360 1.9360 2.2027 2.2027 2.3287 2.3287 2.5133 2.5133 2.5775 2.5775 7.1612 7.1612 7.9609 7.9609 8.2984 8.2984 9.4291 9.4291 9.7516 9.7516 k = 0.0000 0.4727 0.4384 ( 6661 PWs) bands (ev): -15.9405 -15.9405 -15.8705 -15.8705 -10.6186 -10.6186 -10.5694 -10.5694 -6.1238 -6.1238 -5.9492 -5.9492 -5.4085 -5.4085 -5.3640 -5.3640 -1.5784 -1.5784 -1.3779 -1.3779 0.0005 0.0005 0.0608 0.0608 0.1290 0.1290 0.2964 0.2964 0.4327 0.4327 0.6156 0.6156 0.7606 0.7606 0.9571 0.9571 1.0372 1.0372 1.1920 1.1920 1.4650 1.4650 1.9590 1.9590 2.1887 2.1887 2.3242 2.3242 2.4994 2.4994 2.5698 2.5698 7.1622 7.1622 7.9479 7.9479 8.2838 8.2838 9.4140 9.4140 9.7927 9.7927 k = 0.0000 0.4909 0.4384 ( 6664 PWs) bands (ev): -15.9397 -15.9397 -15.8697 -15.8697 -10.6151 -10.6151 -10.5670 -10.5670 -6.1223 -6.1223 -5.9481 -5.9481 -5.4127 -5.4127 -5.3675 -5.3675 -1.5888 -1.5888 -1.3830 -1.3830 0.0027 0.0027 0.0644 0.0644 0.1228 0.1228 0.3006 0.3006 0.4389 0.4389 0.6197 0.6197 0.7712 0.7712 0.9426 0.9426 1.0322 1.0322 1.1744 1.1744 1.4655 1.4655 1.9812 1.9812 2.1744 2.1744 2.3196 2.3196 2.4873 2.4873 2.5636 2.5636 7.1622 7.1622 7.9366 7.9366 8.2696 8.2696 9.3983 9.3983 9.8181 9.8181 k = 0.0000 0.5091 0.4384 ( 6658 PWs) bands (ev): -15.9389 -15.9389 -15.8690 -15.8690 -10.6118 -10.6118 -10.5647 -10.5647 -6.1208 -6.1208 -5.9470 -5.9470 -5.4166 -5.4166 -5.3708 -5.3708 -1.5982 -1.5982 -1.3874 -1.3874 0.0047 0.0047 0.0667 0.0667 0.1170 0.1170 0.3046 0.3046 0.4445 0.4445 0.6240 0.6240 0.7812 0.7812 0.9281 0.9281 1.0275 1.0275 1.1585 1.1585 1.4662 1.4662 2.0022 2.0022 2.1602 2.1602 2.3150 2.3150 2.4771 2.4771 2.5588 2.5588 7.1614 7.1614 7.9274 7.9274 8.2559 8.2559 9.3824 9.3824 9.8264 9.8264 k = 0.0000 0.5272 0.4384 ( 6656 PWs) bands (ev): -15.9381 -15.9381 -15.8684 -15.8684 -10.6087 -10.6087 -10.5625 -10.5625 -6.1195 -6.1195 -5.9460 -5.9460 -5.4203 -5.4203 -5.3739 -5.3739 -1.6065 -1.6065 -1.3911 -1.3911 0.0064 0.0064 0.0676 0.0676 0.1118 0.1118 0.3083 0.3083 0.4494 0.4494 0.6289 0.6289 0.7900 0.7900 0.9138 0.9138 1.0231 1.0231 1.1443 1.1443 1.4672 1.4672 2.0218 2.0218 2.1463 2.1463 2.3106 2.3106 2.4686 2.4686 2.5553 2.5553 7.1601 7.1601 7.9203 7.9203 8.2429 8.2429 9.3668 9.3668 9.8181 9.8181 k = 0.0000 0.5454 0.4384 ( 6653 PWs) bands (ev): -15.9374 -15.9374 -15.8678 -15.8678 -10.6060 -10.6060 -10.5605 -10.5605 -6.1183 -6.1183 -5.9451 -5.9451 -5.4237 -5.4237 -5.3767 -5.3767 -1.6137 -1.6137 -1.3940 -1.3940 0.0080 0.0080 0.0674 0.0674 0.1070 0.1070 0.3114 0.3114 0.4535 0.4535 0.6344 0.6344 0.7970 0.7970 0.8999 0.8999 1.0192 1.0192 1.1318 1.1318 1.4683 1.4683 2.0393 2.0393 2.1336 2.1336 2.3062 2.3062 2.4619 2.4619 2.5530 2.5530 7.1588 7.1588 7.9155 7.9155 8.2306 8.2306 9.3516 9.3516 9.7963 9.7963 k = 0.0000 0.5636 0.4384 ( 6652 PWs) bands (ev): -15.9368 -15.9368 -15.8673 -15.8673 -10.6035 -10.6035 -10.5586 -10.5586 -6.1172 -6.1172 -5.9443 -5.9443 -5.4269 -5.4269 -5.3793 -5.3793 -1.6198 -1.6198 -1.3960 -1.3960 0.0096 0.0096 0.0660 0.0660 0.1029 0.1029 0.3139 0.3139 0.4568 0.4568 0.6405 0.6405 0.8014 0.8014 0.8868 0.8868 1.0159 1.0159 1.1209 1.1209 1.4694 1.4694 2.0537 2.0537 2.1229 2.1229 2.3022 2.3022 2.4568 2.4568 2.5519 2.5519 7.1576 7.1576 7.9129 7.9129 8.2193 8.2193 9.3373 9.3373 9.7647 9.7647 k = 0.0000 0.5818 0.4384 ( 6644 PWs) bands (ev): -15.9363 -15.9363 -15.8668 -15.8668 -10.6013 -10.6013 -10.5570 -10.5570 -6.1162 -6.1162 -5.9435 -5.9435 -5.4297 -5.4297 -5.3816 -5.3816 -1.6245 -1.6245 -1.3973 -1.3973 0.0113 0.0113 0.0637 0.0637 0.0993 0.0993 0.3156 0.3156 0.4593 0.4593 0.6474 0.6474 0.8029 0.8029 0.8749 0.8749 1.0137 1.0137 1.1114 1.1114 1.4706 1.4706 2.0633 2.0633 2.1162 2.1162 2.2987 2.2987 2.4535 2.4535 2.5518 2.5518 7.1569 7.1569 7.9127 7.9127 8.2090 8.2090 9.3239 9.3239 9.7269 9.7269 k = 0.0000 0.6000 0.4384 ( 6646 PWs) bands (ev): -15.9358 -15.9358 -15.8663 -15.8663 -10.5994 -10.5994 -10.5554 -10.5554 -6.1154 -6.1154 -5.9429 -5.9429 -5.4322 -5.4322 -5.3836 -5.3836 -1.6280 -1.6280 -1.3977 -1.3977 0.0130 0.0130 0.0606 0.0606 0.0962 0.0962 0.3163 0.3163 0.4610 0.4610 0.6546 0.6546 0.8012 0.8012 0.8642 0.8642 1.0127 1.0127 1.1032 1.1032 1.4715 1.4715 2.0662 2.0662 2.1150 2.1150 2.2960 2.2960 2.4516 2.4516 2.5527 2.5527 7.1571 7.1571 7.9147 7.9147 8.1998 8.1998 9.3117 9.3117 9.6855 9.6855 k = 0.0000 0.6181 0.4384 ( 6648 PWs) bands (ev): -15.9354 -15.9354 -15.8660 -15.8660 -10.5979 -10.5979 -10.5541 -10.5541 -6.1147 -6.1147 -5.9423 -5.9423 -5.4344 -5.4344 -5.3853 -5.3853 -1.6302 -1.6302 -1.3972 -1.3972 0.0148 0.0148 0.0569 0.0569 0.0937 0.0937 0.3159 0.3159 0.4622 0.4622 0.6622 0.6622 0.7964 0.7964 0.8549 0.8549 1.0129 1.0129 1.0960 1.0960 1.4721 1.4721 2.0637 2.0637 2.1179 2.1179 2.2946 2.2946 2.4513 2.4513 2.5545 2.5545 7.1583 7.1583 7.9189 7.9189 8.1919 8.1919 9.3009 9.3009 9.6426 9.6426 k = 0.0000 0.6363 0.4384 ( 6650 PWs) bands (ev): -15.9351 -15.9351 -15.8657 -15.8657 -10.5966 -10.5966 -10.5530 -10.5530 -6.1141 -6.1141 -5.9419 -5.9419 -5.4363 -5.4363 -5.3868 -5.3868 -1.6311 -1.6311 -1.3958 -1.3958 0.0168 0.0168 0.0527 0.0527 0.0917 0.0917 0.3144 0.3144 0.4628 0.4628 0.6695 0.6695 0.7894 0.7894 0.8466 0.8466 1.0141 1.0141 1.0899 1.0899 1.4721 1.4721 2.0594 2.0594 2.1214 2.1214 2.2947 2.2947 2.4524 2.4524 2.5572 2.5572 7.1607 7.1607 7.9252 7.9252 8.1853 8.1853 9.2915 9.2915 9.5994 9.5994 k = 0.0000 0.6545 0.4384 ( 6650 PWs) bands (ev): -15.9349 -15.9349 -15.8654 -15.8654 -10.5957 -10.5957 -10.5522 -10.5522 -6.1137 -6.1137 -5.9415 -5.9415 -5.4379 -5.4379 -5.3879 -5.3879 -1.6306 -1.6306 -1.3935 -1.3935 0.0190 0.0190 0.0481 0.0481 0.0903 0.0903 0.3118 0.3118 0.4631 0.4631 0.6763 0.6763 0.7814 0.7814 0.8390 0.8390 1.0160 1.0160 1.0848 1.0848 1.4713 1.4713 2.0556 2.0556 2.1231 2.1231 2.2966 2.2966 2.4549 2.4549 2.5607 2.5607 7.1645 7.1645 7.9336 7.9336 8.1801 8.1801 9.2836 9.2836 9.5569 9.5569 k = 0.0000 0.6545 0.4384 ( 6650 PWs) bands (ev): -15.9349 -15.9349 -15.8654 -15.8654 -10.5957 -10.5957 -10.5522 -10.5522 -6.1137 -6.1137 -5.9415 -5.9415 -5.4379 -5.4379 -5.3879 -5.3879 -1.6306 -1.6306 -1.3935 -1.3935 0.0190 0.0190 0.0481 0.0481 0.0903 0.0903 0.3118 0.3118 0.4631 0.4631 0.6763 0.6763 0.7814 0.7814 0.8390 0.8390 1.0160 1.0160 1.0848 1.0848 1.4713 1.4713 2.0556 2.0556 2.1231 2.1231 2.2966 2.2966 2.4549 2.4549 2.5607 2.5607 7.1645 7.1645 7.9336 7.9336 8.1801 8.1801 9.2836 9.2836 9.5569 9.5569 k = 0.0000 0.6621 0.4229 ( 6644 PWs) bands (ev): -15.9347 -15.9347 -15.8654 -15.8654 -10.5936 -10.5936 -10.5537 -10.5537 -6.1139 -6.1139 -5.9410 -5.9410 -5.4390 -5.4390 -5.3883 -5.3883 -1.6341 -1.6341 -1.3968 -1.3968 0.0211 0.0211 0.0477 0.0477 0.0913 0.0913 0.3174 0.3174 0.4620 0.4620 0.6810 0.6810 0.7777 0.7777 0.8414 0.8414 1.0178 1.0178 1.0845 1.0845 1.4738 1.4738 2.0590 2.0590 2.1193 2.1193 2.3022 2.3022 2.4497 2.4497 2.5569 2.5569 7.1562 7.1562 7.9425 7.9425 8.1776 8.1776 9.2805 9.2805 9.5265 9.5265 k = 0.0000 0.6698 0.4074 ( 6647 PWs) bands (ev): -15.9346 -15.9346 -15.8654 -15.8654 -10.5916 -10.5916 -10.5552 -10.5552 -6.1142 -6.1142 -5.9405 -5.9405 -5.4399 -5.4399 -5.3887 -5.3887 -1.6371 -1.6371 -1.3995 -1.3995 0.0229 0.0229 0.0473 0.0473 0.0923 0.0923 0.3222 0.3222 0.4610 0.4610 0.6853 0.6853 0.7738 0.7738 0.8437 0.8437 1.0192 1.0192 1.0842 1.0842 1.4757 1.4757 2.0621 2.0621 2.1160 2.1160 2.3069 2.3069 2.4454 2.4454 2.5537 2.5537 7.1491 7.1491 7.9500 7.9500 8.1754 8.1754 9.2783 9.2783 9.5008 9.5008 k = 0.0000 0.6774 0.3920 ( 6643 PWs) bands (ev): -15.9344 -15.9344 -15.8654 -15.8654 -10.5900 -10.5900 -10.5564 -10.5564 -6.1143 -6.1143 -5.9402 -5.9402 -5.4407 -5.4407 -5.3890 -5.3890 -1.6394 -1.6394 -1.4016 -1.4016 0.0244 0.0244 0.0468 0.0468 0.0930 0.0930 0.3261 0.3261 0.4601 0.4601 0.6890 0.6890 0.7703 0.7703 0.8457 0.8457 1.0204 1.0204 1.0841 1.0841 1.4772 1.4772 2.0648 2.0648 2.1133 2.1133 2.3107 2.3107 2.4422 2.4422 2.5511 2.5511 7.1435 7.1435 7.9560 7.9560 8.1737 8.1737 9.2769 9.2769 9.4802 9.4802 k = 0.0000 0.6850 0.3765 ( 6647 PWs) bands (ev): -15.9344 -15.9344 -15.8654 -15.8654 -10.5887 -10.5887 -10.5574 -10.5574 -6.1145 -6.1145 -5.9399 -5.9399 -5.4412 -5.4412 -5.3893 -5.3893 -1.6411 -1.6411 -1.4031 -1.4031 0.0255 0.0255 0.0463 0.0463 0.0936 0.0936 0.3289 0.3289 0.4594 0.4594 0.6919 0.6919 0.7675 0.7675 0.8473 0.8473 1.0212 1.0212 1.0839 1.0839 1.4782 1.4782 2.0668 2.0668 2.1112 2.1112 2.3134 2.3134 2.4399 2.4399 2.5493 2.5493 7.1394 7.1394 7.9603 7.9603 8.1724 8.1724 9.2761 9.2761 9.4650 9.4650 k = 0.0000 0.6927 0.3610 ( 6653 PWs) bands (ev): -15.9343 -15.9343 -15.8654 -15.8654 -10.5879 -10.5879 -10.5581 -10.5581 -6.1145 -6.1145 -5.9398 -5.9398 -5.4416 -5.4416 -5.3894 -5.3894 -1.6421 -1.6421 -1.4040 -1.4040 0.0262 0.0262 0.0460 0.0460 0.0939 0.0939 0.3306 0.3306 0.4590 0.4590 0.6937 0.6937 0.7656 0.7656 0.8482 0.8482 1.0217 1.0217 1.0838 1.0838 1.4789 1.4789 2.0680 2.0680 2.1100 2.1100 2.3150 2.3150 2.4385 2.4385 2.5481 2.5481 7.1369 7.1369 7.9629 7.9629 8.1716 8.1716 9.2758 9.2758 9.4557 9.4557 k = 0.0000 0.7003 0.3455 ( 6660 PWs) bands (ev): -15.9343 -15.9343 -15.8654 -15.8654 -10.5876 -10.5876 -10.5583 -10.5583 -6.1146 -6.1146 -5.9397 -5.9397 -5.4417 -5.4417 -5.3894 -5.3894 -1.6424 -1.6424 -1.4043 -1.4043 0.0265 0.0265 0.0459 0.0459 0.0940 0.0940 0.3312 0.3312 0.4588 0.4588 0.6943 0.6943 0.7650 0.7650 0.8485 0.8485 1.0219 1.0219 1.0838 1.0838 1.4790 1.4790 2.0685 2.0685 2.1095 2.1095 2.3155 2.3155 2.4380 2.4380 2.5477 2.5477 7.1361 7.1361 7.9638 7.9638 8.1714 8.1714 9.2757 9.2757 9.4526 9.4526 k = 0.0000 0.7003 0.3455 ( 6660 PWs) bands (ev): -15.9343 -15.9343 -15.8654 -15.8654 -10.5876 -10.5876 -10.5583 -10.5583 -6.1146 -6.1146 -5.9397 -5.9397 -5.4417 -5.4417 -5.3894 -5.3894 -1.6424 -1.6424 -1.4043 -1.4043 0.0265 0.0265 0.0459 0.0459 0.0940 0.0940 0.3312 0.3312 0.4588 0.4588 0.6943 0.6943 0.7650 0.7650 0.8485 0.8485 1.0219 1.0219 1.0838 1.0838 1.4790 1.4790 2.0685 2.0685 2.1095 2.1095 2.3155 2.3155 2.4380 2.4380 2.5477 2.5477 7.1361 7.1361 7.9638 7.9638 8.1714 8.1714 9.2757 9.2757 9.4526 9.4526 k = 0.0185 0.7003 0.3455 ( 6662 PWs) bands (ev): -15.9343 -15.9343 -15.8655 -15.8655 -10.5876 -10.5876 -10.5583 -10.5583 -6.1145 -6.1145 -5.9400 -5.9400 -5.4417 -5.4417 -5.3895 -5.3895 -1.6422 -1.6422 -1.4045 -1.4045 0.0249 0.0249 0.0467 0.0467 0.0951 0.0951 0.3311 0.3311 0.4592 0.4592 0.6930 0.6930 0.7656 0.7656 0.8486 0.8486 1.0223 1.0223 1.0850 1.0850 1.4788 1.4788 2.0642 2.0642 2.1097 2.1097 2.3134 2.3134 2.4418 2.4418 2.5502 2.5502 7.1361 7.1361 7.9583 7.9583 8.1702 8.1702 9.2766 9.2766 9.4621 9.4621 k = 0.0370 0.7003 0.3455 ( 6654 PWs) bands (ev): -15.9341 -15.9341 -15.8657 -15.8657 -10.5874 -10.5874 -10.5583 -10.5583 -6.1143 -6.1143 -5.9407 -5.9407 -5.4417 -5.4417 -5.3898 -5.3898 -1.6416 -1.6416 -1.4051 -1.4051 0.0209 0.0209 0.0487 0.0487 0.0983 0.0983 0.3306 0.3306 0.4604 0.4604 0.6894 0.6894 0.7672 0.7672 0.8488 0.8488 1.0239 1.0239 1.0884 1.0884 1.4781 1.4781 2.0527 2.0527 2.1093 2.1093 2.3071 2.3071 2.4527 2.4527 2.5573 2.5573 7.1362 7.1362 7.9420 7.9420 8.1670 8.1670 9.2795 9.2795 9.4900 9.4900 k = 0.0556 0.7003 0.3455 ( 6648 PWs) bands (ev): -15.9338 -15.9338 -15.8659 -15.8659 -10.5872 -10.5872 -10.5584 -10.5584 -6.1139 -6.1139 -5.9419 -5.9419 -5.4418 -5.4418 -5.3902 -5.3902 -1.6407 -1.6407 -1.4061 -1.4061 0.0157 0.0157 0.0511 0.0511 0.1030 0.1030 0.3300 0.3300 0.4622 0.4622 0.6840 0.6840 0.7692 0.7692 0.8494 0.8494 1.0268 1.0268 1.0938 1.0938 1.4769 1.4769 2.0362 2.0362 2.1074 2.1074 2.2970 2.2970 2.4698 2.4698 2.5685 2.5685 7.1363 7.1363 7.9154 7.9154 8.1631 8.1631 9.2845 9.2845 9.5343 9.5343 k = 0.0741 0.7003 0.3455 ( 6646 PWs) bands (ev): -15.9333 -15.9333 -15.8663 -15.8663 -10.5870 -10.5870 -10.5584 -10.5584 -6.1135 -6.1135 -5.9435 -5.9435 -5.4419 -5.4419 -5.3909 -5.3909 -1.6393 -1.6393 -1.4074 -1.4074 0.0098 0.0098 0.0538 0.0538 0.1087 0.1087 0.3290 0.3290 0.4643 0.4643 0.6776 0.6776 0.7708 0.7708 0.8505 0.8505 1.0311 1.0311 1.1009 1.1009 1.4753 1.4753 2.0164 2.0164 2.1036 2.1036 2.2838 2.2838 2.4915 2.4915 2.5831 2.5831 7.1364 7.1364 7.8796 7.8796 8.1594 8.1594 9.2914 9.2914 9.5927 9.5927 k = 0.0926 0.7003 0.3455 ( 6644 PWs) bands (ev): -15.9328 -15.9328 -15.8668 -15.8668 -10.5866 -10.5866 -10.5585 -10.5585 -6.1128 -6.1128 -5.9456 -5.9456 -5.4420 -5.4420 -5.3917 -5.3917 -1.6376 -1.6376 -1.4092 -1.4092 0.0040 0.0040 0.0567 0.0567 0.1150 0.1150 0.3279 0.3279 0.4666 0.4666 0.6708 0.6708 0.7716 0.7716 0.8524 0.8524 1.0370 1.0370 1.1094 1.1094 1.4732 1.4732 1.9948 1.9948 2.0979 2.0979 2.2681 2.2681 2.5163 2.5163 2.6006 2.6006 7.1365 7.1365 7.8364 7.8364 8.1567 8.1567 9.2999 9.2999 9.6626 9.6626 k = 0.1111 0.7003 0.3455 ( 6642 PWs) bands (ev): -15.9321 -15.9321 -15.8674 -15.8674 -10.5862 -10.5862 -10.5587 -10.5587 -6.1121 -6.1121 -5.9481 -5.9481 -5.4421 -5.4421 -5.3926 -5.3926 -1.6355 -1.6355 -1.4113 -1.4113 -0.0017 -0.0017 0.0599 0.0599 0.1215 0.1215 0.3265 0.3265 0.4685 0.4685 0.6642 0.6642 0.7714 0.7714 0.8551 0.8551 1.0446 1.0446 1.1189 1.1189 1.4707 1.4707 1.9722 1.9722 2.0903 2.0903 2.2504 2.2504 2.5427 2.5427 2.6208 2.6208 7.1366 7.1366 7.7879 7.7879 8.1552 8.1552 9.3095 9.3095 9.7417 9.7417 k = 0.1296 0.7003 0.3455 ( 6634 PWs) bands (ev): -15.9314 -15.9314 -15.8681 -15.8681 -10.5857 -10.5857 -10.5588 -10.5588 -6.1111 -6.1111 -5.9511 -5.9511 -5.4422 -5.4422 -5.3937 -5.3937 -1.6330 -1.6330 -1.4139 -1.4139 -0.0070 -0.0070 0.0634 0.0634 0.1280 0.1280 0.3248 0.3248 0.4699 0.4699 0.6581 0.6581 0.7706 0.7706 0.8588 0.8588 1.0538 1.0538 1.1293 1.1293 1.4679 1.4679 1.9496 1.9496 2.0811 2.0811 2.2313 2.2313 2.5695 2.5695 2.6434 2.6434 7.1365 7.1365 7.7358 7.7358 8.1552 8.1552 9.3194 9.3194 9.8279 9.8279 k = 0.1481 0.7003 0.3455 ( 6634 PWs) bands (ev): -15.9305 -15.9305 -15.8689 -15.8689 -10.5852 -10.5852 -10.5590 -10.5590 -6.1100 -6.1100 -5.9544 -5.9544 -5.4423 -5.4423 -5.3950 -5.3950 -1.6302 -1.6302 -1.4167 -1.4167 -0.0117 -0.0117 0.0671 0.0671 0.1343 0.1343 0.3228 0.3228 0.4704 0.4704 0.6527 0.6527 0.7695 0.7695 0.8632 0.8632 1.0644 1.0644 1.1405 1.1405 1.4647 1.4647 1.9274 1.9274 2.0703 2.0703 2.2111 2.2111 2.5958 2.5958 2.6682 2.6682 7.1364 7.1364 7.6819 7.6819 8.1568 8.1568 9.3288 9.3288 9.9194 9.9194 k = 0.1667 0.7003 0.3455 ( 6634 PWs) bands (ev): -15.9295 -15.9295 -15.8699 -15.8699 -10.5846 -10.5846 -10.5592 -10.5592 -6.1088 -6.1088 -5.9581 -5.9581 -5.4424 -5.4424 -5.3965 -5.3965 -1.6270 -1.6270 -1.4200 -1.4200 -0.0157 -0.0157 0.0712 0.0712 0.1402 0.1402 0.3204 0.3204 0.4698 0.4698 0.6480 0.6480 0.7686 0.7686 0.8682 0.8682 1.0762 1.0762 1.1524 1.1524 1.4612 1.4612 1.9059 1.9059 2.0580 2.0580 2.1900 2.1900 2.6210 2.6210 2.6948 2.6948 7.1361 7.1361 7.6275 7.6275 8.1599 8.1599 9.3365 9.3365 10.0146 10.0146 k = 0.1852 0.7003 0.3455 ( 6634 PWs) bands (ev): -15.9284 -15.9284 -15.8709 -15.8709 -10.5839 -10.5839 -10.5594 -10.5594 -6.1073 -6.1073 -5.9621 -5.9621 -5.4424 -5.4424 -5.3980 -5.3980 -1.6235 -1.6235 -1.4236 -1.4236 -0.0189 -0.0189 0.0755 0.0755 0.1457 0.1457 0.3174 0.3174 0.4682 0.4682 0.6439 0.6439 0.7686 0.7686 0.8736 0.8736 1.0888 1.0888 1.1649 1.1649 1.4576 1.4576 1.8856 1.8856 2.0442 2.0442 2.1682 2.1682 2.6453 2.6453 2.7227 2.7227 7.1355 7.1355 7.5737 7.5737 8.1649 8.1649 9.3413 9.3413 10.1120 10.1120 k = 0.2037 0.7003 0.3455 ( 6636 PWs) bands (ev): -15.9272 -15.9272 -15.8720 -15.8720 -10.5832 -10.5832 -10.5596 -10.5596 -6.1057 -6.1057 -5.9665 -5.9665 -5.4425 -5.4425 -5.3997 -5.3997 -1.6196 -1.6196 -1.4275 -1.4275 -0.0213 -0.0213 0.0800 0.0800 0.1506 0.1506 0.3138 0.3138 0.4657 0.4657 0.6398 0.6398 0.7701 0.7701 0.8793 0.8793 1.1020 1.1020 1.1781 1.1781 1.4540 1.4540 1.8666 1.8666 2.0290 2.0290 2.1459 2.1459 2.6686 2.6686 2.7511 2.7511 7.1347 7.1347 7.5213 7.5213 8.1718 8.1718 9.3417 9.3417 10.2104 10.2104 k = 0.2222 0.7003 0.3455 ( 6628 PWs) bands (ev): -15.9259 -15.9259 -15.8732 -15.8732 -10.5824 -10.5824 -10.5599 -10.5599 -6.1039 -6.1039 -5.9711 -5.9711 -5.4425 -5.4425 -5.4015 -5.4015 -1.6154 -1.6154 -1.4318 -1.4318 -0.0228 -0.0228 0.0846 0.0846 0.1549 0.1549 0.3095 0.3095 0.4629 0.4629 0.6354 0.6354 0.7734 0.7734 0.8852 0.8852 1.1153 1.1153 1.1920 1.1920 1.4505 1.4505 1.8491 1.8491 2.0125 2.0125 2.1232 2.1232 2.6911 2.6911 2.7792 2.7792 7.1336 7.1336 7.4711 7.4711 8.1808 8.1808 9.3364 9.3364 10.3069 10.3069 k = 0.2407 0.7003 0.3455 ( 6636 PWs) bands (ev): -15.9246 -15.9246 -15.8745 -15.8745 -10.5816 -10.5816 -10.5602 -10.5602 -6.1019 -6.1019 -5.9759 -5.9759 -5.4425 -5.4425 -5.4034 -5.4034 -1.6109 -1.6109 -1.4364 -1.4364 -0.0233 -0.0233 0.0893 0.0893 0.1585 0.1585 0.3041 0.3041 0.4599 0.4599 0.6304 0.6304 0.7787 0.7787 0.8911 0.8911 1.1283 1.1283 1.2063 1.2063 1.4474 1.4474 1.8332 1.8332 1.9947 1.9947 2.1002 2.1002 2.7132 2.7132 2.8065 2.8065 7.1322 7.1322 7.4236 7.4236 8.1921 8.1921 9.3242 9.3242 10.3344 10.3344 k = 0.2593 0.7003 0.3455 ( 6640 PWs) bands (ev): -15.9231 -15.9231 -15.8759 -15.8759 -10.5807 -10.5807 -10.5606 -10.5606 -6.0997 -6.0997 -5.9810 -5.9810 -5.4424 -5.4424 -5.4054 -5.4054 -1.6060 -1.6060 -1.4413 -1.4413 -0.0229 -0.0229 0.0940 0.0940 0.1615 0.1615 0.2978 0.2978 0.4574 0.4574 0.6246 0.6246 0.7860 0.7860 0.8970 0.8970 1.1410 1.1410 1.2209 1.2209 1.4451 1.4451 1.8191 1.8191 1.9757 1.9757 2.0771 2.0771 2.7348 2.7348 2.8324 2.8324 7.1305 7.1305 7.3790 7.3790 8.2059 8.2059 9.3045 9.3045 10.3368 10.3368 k = 0.2778 0.7003 0.3455 ( 6642 PWs) bands (ev): -15.9216 -15.9216 -15.8773 -15.8773 -10.5799 -10.5799 -10.5610 -10.5610 -6.0973 -6.0973 -5.9863 -5.9863 -5.4422 -5.4422 -5.4075 -5.4075 -1.6009 -1.6009 -1.4465 -1.4465 -0.0216 -0.0216 0.0984 0.0984 0.1639 0.1639 0.2906 0.2906 0.4557 0.4557 0.6179 0.6179 0.7951 0.7951 0.9027 0.9027 1.1531 1.1531 1.2354 1.2354 1.4440 1.4440 1.8068 1.8068 1.9556 1.9556 2.0539 2.0539 2.7560 2.7560 2.8566 2.8566 7.1284 7.1284 7.3378 7.3378 8.2224 8.2224 9.2771 9.2771 10.3490 10.3490 k = 0.2963 0.7003 0.3455 ( 6642 PWs) bands (ev): -15.9200 -15.9200 -15.8789 -15.8789 -10.5789 -10.5789 -10.5614 -10.5614 -6.0947 -6.0947 -5.9916 -5.9916 -5.4419 -5.4419 -5.4096 -5.4096 -1.5955 -1.5955 -1.4519 -1.4519 -0.0192 -0.0192 0.1025 0.1025 0.1657 0.1657 0.2825 0.2825 0.4550 0.4550 0.6105 0.6105 0.8055 0.8055 0.9082 0.9082 1.1644 1.1644 1.2491 1.2491 1.4449 1.4449 1.7964 1.7964 1.9345 1.9345 2.0309 2.0309 2.7767 2.7767 2.8787 2.8787 7.1260 7.1260 7.3000 7.3000 8.2418 8.2418 9.2425 9.2425 10.3713 10.3713 k = 0.3148 0.7003 0.3455 ( 6648 PWs) bands (ev): -15.9183 -15.9183 -15.8805 -15.8805 -10.5780 -10.5780 -10.5619 -10.5619 -6.0919 -6.0919 -5.9971 -5.9971 -5.4416 -5.4416 -5.4117 -5.4117 -1.5899 -1.5899 -1.4576 -1.4576 -0.0159 -0.0159 0.1060 0.1060 0.1671 0.1671 0.2737 0.2737 0.4554 0.4554 0.6024 0.6024 0.8169 0.8169 0.9134 0.9134 1.1751 1.1751 1.2612 1.2612 1.4483 1.4483 1.7878 1.7878 1.9125 1.9125 2.0080 2.0080 2.7971 2.7971 2.8985 2.8985 7.1233 7.1233 7.2659 7.2659 8.2641 8.2641 9.2015 9.2015 10.4029 10.4029 k = 0.3333 0.7003 0.3455 ( 6642 PWs) bands (ev): -15.9165 -15.9165 -15.8821 -15.8821 -10.5771 -10.5771 -10.5624 -10.5624 -6.0888 -6.0888 -6.0027 -6.0027 -5.4412 -5.4412 -5.4139 -5.4139 -1.5840 -1.5840 -1.4636 -1.4636 -0.0115 -0.0115 0.1085 0.1085 0.1682 0.1682 0.2647 0.2647 0.4570 0.4570 0.5938 0.5938 0.8290 0.8290 0.9181 0.9181 1.1851 1.1851 1.2710 1.2710 1.4551 1.4551 1.7811 1.7811 1.8897 1.8897 1.9855 1.9855 2.8169 2.8169 2.9157 2.9157 7.1204 7.1204 7.2354 7.2354 8.2895 8.2895 9.1551 9.1551 10.4425 10.4425 k = 0.3519 0.7003 0.3455 ( 6648 PWs) bands (ev): -15.9147 -15.9147 -15.8838 -15.8838 -10.5761 -10.5761 -10.5629 -10.5629 -6.0855 -6.0855 -6.0083 -6.0083 -5.4406 -5.4406 -5.4161 -5.4161 -1.5779 -1.5779 -1.4697 -1.4697 -0.0063 -0.0063 0.1097 0.1097 0.1694 0.1694 0.2555 0.2555 0.4598 0.4598 0.5848 0.5848 0.8413 0.8413 0.9221 0.9221 1.1944 1.1944 1.2778 1.2778 1.4656 1.4656 1.7761 1.7761 1.8663 1.8663 1.9634 1.9634 2.8360 2.8360 2.9303 2.9303 7.1173 7.1173 7.2085 7.2085 8.3181 8.3181 9.1045 9.1045 10.4888 10.4888 k = 0.3704 0.7003 0.3455 ( 6652 PWs) bands (ev): -15.9129 -15.9129 -15.8856 -15.8856 -10.5751 -10.5751 -10.5635 -10.5635 -6.0820 -6.0820 -6.0139 -6.0139 -5.4399 -5.4399 -5.4182 -5.4182 -1.5716 -1.5716 -1.4761 -1.4761 -0.0003 -0.0003 0.1092 0.1092 0.1709 0.1709 0.2466 0.2466 0.4635 0.4635 0.5756 0.5756 0.8536 0.8536 0.9255 0.9255 1.2033 1.2033 1.2816 1.2816 1.4800 1.4800 1.7724 1.7724 1.8429 1.8429 1.9419 1.9419 2.8544 2.8544 2.9421 2.9421 7.1142 7.1142 7.1852 7.1852 8.3498 8.3498 9.0508 9.0508 10.5400 10.5400 k = 0.3889 0.7003 0.3455 ( 6654 PWs) bands (ev): -15.9110 -15.9110 -15.8875 -15.8875 -10.5742 -10.5742 -10.5641 -10.5641 -6.0783 -6.0783 -6.0196 -6.0196 -5.4392 -5.4392 -5.4204 -5.4204 -1.5651 -1.5651 -1.4826 -1.4826 0.0066 0.0066 0.1068 0.1068 0.1730 0.1730 0.2381 0.2381 0.4683 0.4683 0.5662 0.5662 0.8656 0.8656 0.9280 0.9280 1.2116 1.2116 1.2825 1.2825 1.4979 1.4979 1.7690 1.7690 1.8204 1.8204 1.9212 1.9212 2.8719 2.8719 2.9511 2.9511 7.1112 7.1112 7.1653 7.1653 8.3848 8.3848 8.9949 8.9949 10.5941 10.5941 k = 0.4074 0.7003 0.3455 ( 6650 PWs) bands (ev): -15.9091 -15.9091 -15.8893 -15.8893 -10.5732 -10.5732 -10.5648 -10.5648 -6.0744 -6.0744 -6.0252 -6.0252 -5.4382 -5.4382 -5.4225 -5.4225 -1.5585 -1.5585 -1.4892 -1.4892 0.0143 0.0143 0.1024 0.1024 0.1759 0.1759 0.2302 0.2302 0.4738 0.4738 0.5567 0.5567 0.8770 0.8770 0.9296 0.9296 1.2197 1.2197 1.2810 1.2810 1.5187 1.5187 1.7625 1.7625 1.8026 1.8026 1.9015 1.9015 2.8884 2.8884 2.9574 2.9574 7.1085 7.1085 7.1487 7.1487 8.4229 8.4229 8.9379 8.9379 10.6479 10.6479 k = 0.4259 0.7003 0.3455 ( 6656 PWs) bands (ev): -15.9071 -15.9071 -15.8913 -15.8913 -10.5723 -10.5723 -10.5655 -10.5655 -6.0703 -6.0703 -6.0307 -6.0307 -5.4372 -5.4372 -5.4245 -5.4245 -1.5517 -1.5517 -1.4960 -1.4960 0.0227 0.0227 0.0962 0.0962 0.1794 0.1794 0.2228 0.2228 0.4801 0.4801 0.5473 0.5473 0.8876 0.8876 0.9300 0.9300 1.2273 1.2273 1.2779 1.2779 1.5417 1.5417 1.7472 1.7472 1.7951 1.7951 1.8827 1.8827 2.9037 2.9037 2.9608 2.9608 7.1063 7.1063 7.1352 7.1352 8.4642 8.4642 8.8802 8.8802 10.6970 10.6970 k = 0.4444 0.7003 0.3455 ( 6656 PWs) bands (ev): -15.9051 -15.9051 -15.8932 -15.8932 -10.5713 -10.5713 -10.5662 -10.5662 -6.0659 -6.0659 -6.0361 -6.0361 -5.4360 -5.4360 -5.4265 -5.4265 -1.5449 -1.5449 -1.5029 -1.5029 0.0316 0.0316 0.0885 0.0885 0.1835 0.1835 0.2160 0.2160 0.4870 0.4870 0.5379 0.5379 0.8973 0.8973 0.9293 0.9293 1.2348 1.2348 1.2734 1.2734 1.5664 1.5664 1.7245 1.7245 1.7965 1.7965 1.8653 1.8653 2.9176 2.9176 2.9616 2.9616 7.1047 7.1047 7.1245 7.1245 8.5083 8.5083 8.8228 8.8228 10.7376 10.7376 k = 0.4630 0.7003 0.3455 ( 6664 PWs) bands (ev): -15.9032 -15.9032 -15.8952 -15.8952 -10.5704 -10.5704 -10.5670 -10.5670 -6.0614 -6.0614 -6.0415 -6.0415 -5.4347 -5.4347 -5.4283 -5.4283 -1.5379 -1.5379 -1.5099 -1.5099 0.0410 0.0410 0.0798 0.0798 0.1881 0.1881 0.2097 0.2097 0.4945 0.4945 0.5287 0.5287 0.9058 0.9058 0.9273 0.9273 1.2420 1.2420 1.2680 1.2680 1.5921 1.5921 1.6990 1.6990 1.8023 1.8023 1.8492 1.8492 2.9299 2.9299 2.9598 2.9598 7.1041 7.1041 7.1164 7.1164 8.5553 8.5553 8.7661 8.7661 10.7700 10.7700 k = 0.4815 0.7003 0.3455 ( 6654 PWs) bands (ev): -15.9012 -15.9012 -15.8971 -15.8971 -10.5695 -10.5695 -10.5678 -10.5678 -6.0567 -6.0567 -6.0467 -6.0467 -5.4333 -5.4333 -5.4301 -5.4301 -1.5309 -1.5309 -1.5169 -1.5169 0.0508 0.0508 0.0704 0.0704 0.1930 0.1930 0.2038 0.2038 0.5025 0.5025 0.5197 0.5197 0.9132 0.9132 0.9240 0.9240 1.2490 1.2490 1.2621 1.2621 1.6187 1.6187 1.6725 1.6725 1.8110 1.8110 1.8347 1.8347 2.9404 2.9404 2.9556 2.9556 7.1047 7.1047 7.1106 7.1106 8.6049 8.6049 8.7106 8.7106 10.7980 10.7980 k = 0.5000 0.7003 0.3455 ( 6656 PWs) bands (ev): -15.8991 -15.8991 -15.8991 -15.8991 -10.5686 -10.5686 -10.5686 -10.5686 -6.0517 -6.0517 -6.0517 -6.0517 -5.4318 -5.4318 -5.4318 -5.4318 -1.5239 -1.5239 -1.5239 -1.5239 0.0606 0.0606 0.0606 0.0606 0.1983 0.1983 0.1983 0.1983 0.5109 0.5109 0.5109 0.5109 0.9192 0.9192 0.9192 0.9192 1.2557 1.2557 1.2557 1.2557 1.6456 1.6456 1.6456 1.6456 1.8219 1.8219 1.8219 1.8219 2.9491 2.9491 2.9491 2.9491 7.1068 7.1068 7.1068 7.1068 8.6567 8.6567 8.6567 8.6567 10.8247 10.8247 k = 0.5000 0.7003 0.3455 ( 6656 PWs) bands (ev): -15.8991 -15.8991 -15.8991 -15.8991 -10.5686 -10.5686 -10.5686 -10.5686 -6.0517 -6.0517 -6.0517 -6.0517 -5.4318 -5.4318 -5.4318 -5.4318 -1.5239 -1.5239 -1.5239 -1.5239 0.0606 0.0606 0.0606 0.0606 0.1983 0.1983 0.1983 0.1983 0.5109 0.5109 0.5109 0.5109 0.9192 0.9192 0.9192 0.9192 1.2557 1.2557 1.2557 1.2557 1.6456 1.6456 1.6456 1.6456 1.8219 1.8219 1.8219 1.8219 2.9491 2.9491 2.9491 2.9491 7.1068 7.1068 7.1068 7.1068 8.6567 8.6567 8.6567 8.6567 10.8247 10.8247 k = 0.5000 0.7080 0.3301 ( 6656 PWs) bands (ev): -15.8992 -15.8992 -15.8992 -15.8992 -10.5687 -10.5687 -10.5686 -10.5686 -6.0517 -6.0517 -6.0517 -6.0517 -5.4317 -5.4317 -5.4317 -5.4317 -1.5237 -1.5237 -1.5235 -1.5235 0.0601 0.0601 0.0612 0.0612 0.1976 0.1976 0.1991 0.1991 0.5074 0.5074 0.5137 0.5137 0.9159 0.9159 0.9221 0.9221 1.2490 1.2490 1.2620 1.2620 1.6435 1.6435 1.6468 1.6468 1.8202 1.8202 1.8246 1.8246 2.9473 2.9473 2.9503 2.9503 7.1075 7.1075 7.1088 7.1088 8.6583 8.6583 8.6587 8.6587 10.8186 10.8196 k = 0.5000 0.7156 0.3146 ( 6662 PWs) bands (ev): -15.8992 -15.8992 -15.8992 -15.8992 -10.5688 -10.5688 -10.5687 -10.5687 -6.0517 -6.0517 -6.0517 -6.0517 -5.4315 -5.4315 -5.4314 -5.4314 -1.5230 -1.5230 -1.5225 -1.5225 0.0596 0.0596 0.0616 0.0616 0.1971 0.1971 0.2000 0.2000 0.5030 0.5030 0.5158 0.5158 0.9120 0.9120 0.9245 0.9245 1.2420 1.2420 1.2680 1.2680 1.6407 1.6407 1.6474 1.6474 1.8195 1.8195 1.8281 1.8281 2.9449 2.9449 2.9509 2.9509 7.1110 7.1110 7.1137 7.1137 8.6634 8.6634 8.6642 8.6642 10.8028 10.8046 k = 0.5000 0.7232 0.2991 ( 6650 PWs) bands (ev): -15.8992 -15.8992 -15.8992 -15.8992 -10.5691 -10.5691 -10.5689 -10.5689 -6.0516 -6.0516 -6.0516 -6.0516 -5.4310 -5.4310 -5.4310 -5.4310 -1.5216 -1.5216 -1.5209 -1.5209 0.0590 0.0590 0.0622 0.0622 0.1968 0.1968 0.2010 0.2010 0.4979 0.4979 0.5172 0.5172 0.9077 0.9077 0.9265 0.9265 1.2348 1.2348 1.2736 1.2736 1.6371 1.6371 1.6473 1.6473 1.8198 1.8198 1.8326 1.8326 2.9419 2.9419 2.9509 2.9509 7.1172 7.1172 7.1213 7.1213 8.6720 8.6720 8.6733 8.6733 10.7789 10.7798 k = 0.5000 0.7309 0.2836 ( 6646 PWs) bands (ev): -15.8993 -15.8993 -15.8992 -15.8992 -10.5693 -10.5693 -10.5691 -10.5691 -6.0515 -6.0515 -6.0515 -6.0515 -5.4305 -5.4305 -5.4304 -5.4304 -1.5196 -1.5196 -1.5188 -1.5188 0.0585 0.0585 0.0627 0.0627 0.1967 0.1967 0.2021 0.2021 0.4920 0.4920 0.5179 0.5179 0.9028 0.9028 0.9281 0.9281 1.2274 1.2274 1.2788 1.2788 1.6327 1.6327 1.6467 1.6467 1.8211 1.8211 1.8377 1.8377 2.9385 2.9385 2.9503 2.9503 7.1260 7.1260 7.1315 7.1315 8.6840 8.6840 8.6857 8.6857 10.7479 10.7480 k = 0.5000 0.7385 0.2682 ( 6644 PWs) bands (ev): -15.8993 -15.8993 -15.8993 -15.8993 -10.5697 -10.5697 -10.5694 -10.5694 -6.0514 -6.0514 -6.0513 -6.0513 -5.4297 -5.4297 -5.4296 -5.4296 -1.5171 -1.5171 -1.5161 -1.5161 0.0579 0.0579 0.0632 0.0632 0.1968 0.1968 0.2031 0.2031 0.4853 0.4853 0.5180 0.5180 0.8975 0.8975 0.9292 0.9292 1.2198 1.2198 1.2837 1.2837 1.6277 1.6277 1.6456 1.6456 1.8234 1.8234 1.8433 1.8433 2.9346 2.9346 2.9492 2.9492 7.1374 7.1374 7.1443 7.1443 8.6993 8.6993 8.7014 8.7014 10.7115 10.7115 k = 0.5000 0.7461 0.2527 ( 6638 PWs) bands (ev): -15.8994 -15.8994 -15.8994 -15.8994 -10.5701 -10.5701 -10.5698 -10.5698 -6.0512 -6.0512 -6.0512 -6.0512 -5.4289 -5.4289 -5.4287 -5.4287 -1.5141 -1.5141 -1.5128 -1.5128 0.0574 0.0574 0.0636 0.0636 0.1970 0.1970 0.2042 0.2042 0.4778 0.4778 0.5175 0.5175 0.8917 0.8917 0.9301 0.9301 1.2122 1.2122 1.2882 1.2882 1.6220 1.6220 1.6443 1.6443 1.8265 1.8265 1.8495 1.8495 2.9303 2.9303 2.9476 2.9476 7.1512 7.1512 7.1596 7.1596 8.7177 8.7177 8.7201 8.7201 10.6708 10.6708 k = 0.5000 0.7461 0.2527 ( 6638 PWs) bands (ev): -15.8994 -15.8994 -15.8994 -15.8994 -10.5701 -10.5701 -10.5698 -10.5698 -6.0512 -6.0512 -6.0512 -6.0512 -5.4289 -5.4289 -5.4287 -5.4287 -1.5141 -1.5141 -1.5128 -1.5128 0.0574 0.0574 0.0636 0.0636 0.1970 0.1970 0.2042 0.2042 0.4778 0.4778 0.5175 0.5175 0.8917 0.8917 0.9301 0.9301 1.2122 1.2122 1.2882 1.2882 1.6220 1.6220 1.6443 1.6443 1.8265 1.8265 1.8495 1.8495 2.9303 2.9303 2.9476 2.9476 7.1512 7.1512 7.1596 7.1596 8.7177 8.7177 8.7201 8.7201 10.6708 10.6708 k = 0.5000 0.7437 0.2345 ( 6636 PWs) bands (ev): -15.8994 -15.8994 -15.8994 -15.8994 -10.5701 -10.5701 -10.5697 -10.5697 -6.0512 -6.0512 -6.0512 -6.0512 -5.4285 -5.4285 -5.4284 -5.4284 -1.5079 -1.5079 -1.5067 -1.5067 0.0578 0.0578 0.0638 0.0638 0.1957 0.1957 0.2039 0.2039 0.4697 0.4697 0.5089 0.5089 0.8909 0.8909 0.9264 0.9264 1.2056 1.2056 1.2852 1.2852 1.6194 1.6194 1.6412 1.6412 1.8301 1.8301 1.8528 1.8528 2.9287 2.9287 2.9478 2.9478 7.1712 7.1712 7.1789 7.1789 8.7396 8.7396 8.7418 8.7418 10.6262 10.6262 k = 0.5000 0.7413 0.2163 ( 6640 PWs) bands (ev): -15.8994 -15.8994 -15.8994 -15.8994 -10.5700 -10.5700 -10.5697 -10.5697 -6.0513 -6.0513 -6.0512 -6.0512 -5.4281 -5.4281 -5.4280 -5.4280 -1.5001 -1.5001 -1.4991 -1.4991 0.0583 0.0583 0.0641 0.0641 0.1940 0.1940 0.2030 0.2030 0.4594 0.4594 0.4985 0.4985 0.8896 0.8896 0.9225 0.9225 1.1988 1.1988 1.2812 1.2812 1.6165 1.6165 1.6379 1.6379 1.8339 1.8339 1.8560 1.8560 2.9279 2.9279 2.9483 2.9483 7.1953 7.1953 7.2024 7.2024 8.7645 8.7645 8.7665 8.7665 10.5782 10.5782 k = 0.5000 0.7389 0.1981 ( 6642 PWs) bands (ev): -15.8994 -15.8994 -15.8994 -15.8994 -10.5700 -10.5700 -10.5696 -10.5696 -6.0513 -6.0513 -6.0512 -6.0512 -5.4277 -5.4277 -5.4276 -5.4276 -1.4909 -1.4909 -1.4900 -1.4900 0.0588 0.0588 0.0644 0.0644 0.1919 0.1919 0.2012 0.2012 0.4473 0.4473 0.4864 0.4864 0.8879 0.8879 0.9185 0.9185 1.1920 1.1920 1.2766 1.2766 1.6134 1.6134 1.6346 1.6346 1.8378 1.8378 1.8591 1.8591 2.9278 2.9278 2.9493 2.9493 7.2232 7.2232 7.2298 7.2298 8.7917 8.7917 8.7936 8.7936 10.5278 10.5278 k = 0.5000 0.7365 0.1799 ( 6646 PWs) bands (ev): -15.8994 -15.8994 -15.8994 -15.8994 -10.5699 -10.5699 -10.5696 -10.5696 -6.0513 -6.0513 -6.0512 -6.0512 -5.4273 -5.4273 -5.4271 -5.4271 -1.4803 -1.4803 -1.4796 -1.4796 0.0595 0.0595 0.0647 0.0647 0.1891 0.1891 0.1984 0.1984 0.4337 0.4337 0.4730 0.4730 0.8859 0.8859 0.9144 0.9144 1.1855 1.1855 1.2712 1.2712 1.6102 1.6102 1.6312 1.6312 1.8417 1.8417 1.8621 1.8621 2.9282 2.9282 2.9505 2.9505 7.2547 7.2547 7.2608 7.2608 8.8209 8.8209 8.8227 8.8227 10.4760 10.4760 k = 0.5000 0.7341 0.1617 ( 6642 PWs) bands (ev): -15.8994 -15.8994 -15.8994 -15.8994 -10.5699 -10.5699 -10.5696 -10.5696 -6.0513 -6.0513 -6.0512 -6.0512 -5.4268 -5.4268 -5.4267 -5.4267 -1.4685 -1.4685 -1.4679 -1.4679 0.0602 0.0602 0.0650 0.0650 0.1855 0.1855 0.1944 0.1944 0.4191 0.4191 0.4585 0.4585 0.8838 0.8838 0.9103 0.9103 1.1795 1.1795 1.2654 1.2654 1.6069 1.6069 1.6277 1.6277 1.8455 1.8455 1.8648 1.8648 2.9292 2.9292 2.9519 2.9519 7.2894 7.2894 7.2951 7.2951 8.8516 8.8516 8.8533 8.8533 10.4236 10.4237 k = 0.5000 0.7317 0.1436 ( 6640 PWs) bands (ev): -15.8994 -15.8994 -15.8994 -15.8994 -10.5699 -10.5699 -10.5696 -10.5696 -6.0513 -6.0513 -6.0512 -6.0512 -5.4264 -5.4264 -5.4262 -5.4262 -1.4556 -1.4556 -1.4551 -1.4551 0.0609 0.0609 0.0653 0.0653 0.1807 0.1807 0.1892 0.1892 0.4041 0.4041 0.4434 0.4434 0.8816 0.8816 0.9064 0.9064 1.1740 1.1740 1.2592 1.2592 1.6037 1.6037 1.6242 1.6242 1.8491 1.8491 1.8672 1.8672 2.9307 2.9307 2.9534 2.9534 7.3269 7.3269 7.3322 7.3322 8.8829 8.8829 8.8847 8.8847 10.3714 10.3715 k = 0.5000 0.7293 0.1254 ( 6642 PWs) bands (ev): -15.8994 -15.8994 -15.8994 -15.8994 -10.5699 -10.5699 -10.5696 -10.5696 -6.0513 -6.0513 -6.0512 -6.0512 -5.4259 -5.4259 -5.4257 -5.4257 -1.4419 -1.4419 -1.4415 -1.4415 0.0616 0.0616 0.0656 0.0656 0.1746 0.1746 0.1824 0.1824 0.3893 0.3893 0.4283 0.4283 0.8795 0.8795 0.9027 0.9027 1.1694 1.1694 1.2526 1.2526 1.6006 1.6006 1.6207 1.6207 1.8525 1.8525 1.8693 1.8693 2.9325 2.9325 2.9550 2.9550 7.3666 7.3666 7.3717 7.3717 8.9143 8.9143 8.9162 8.9162 10.3202 10.3202 k = 0.5000 0.7268 0.1072 ( 6648 PWs) bands (ev): -15.8994 -15.8994 -15.8994 -15.8994 -10.5698 -10.5698 -10.5696 -10.5696 -6.0513 -6.0513 -6.0512 -6.0512 -5.4254 -5.4254 -5.4253 -5.4253 -1.4276 -1.4276 -1.4273 -1.4273 0.0623 0.0623 0.0658 0.0658 0.1669 0.1669 0.1739 0.1739 0.3754 0.3754 0.4136 0.4136 0.8775 0.8775 0.8991 0.8991 1.1655 1.1655 1.2458 1.2458 1.5976 1.5976 1.6171 1.6171 1.8556 1.8556 1.8711 1.8711 2.9346 2.9346 2.9565 2.9565 7.4081 7.4081 7.4129 7.4129 8.9449 8.9449 8.9471 8.9471 10.2706 10.2706 k = 0.5000 0.7244 0.0890 ( 6652 PWs) bands (ev): -15.8995 -15.8995 -15.8994 -15.8994 -10.5698 -10.5698 -10.5696 -10.5696 -6.0513 -6.0513 -6.0512 -6.0512 -5.4250 -5.4250 -5.4248 -5.4248 -1.4129 -1.4129 -1.4127 -1.4127 0.0629 0.0629 0.0659 0.0659 0.1575 0.1575 0.1639 0.1639 0.3629 0.3629 0.3998 0.3998 0.8758 0.8758 0.8958 0.8958 1.1624 1.1624 1.2389 1.2389 1.5948 1.5948 1.6136 1.6136 1.8584 1.8584 1.8725 1.8725 2.9369 2.9369 2.9578 2.9578 7.4506 7.4506 7.4552 7.4552 8.9740 8.9740 8.9765 8.9765 10.2234 10.2234 k = 0.5000 0.7220 0.0708 ( 6648 PWs) bands (ev): -15.8995 -15.8995 -15.8995 -15.8995 -10.5698 -10.5698 -10.5697 -10.5697 -6.0513 -6.0513 -6.0512 -6.0512 -5.4245 -5.4245 -5.4244 -5.4244 -1.3981 -1.3981 -1.3981 -1.3981 0.0634 0.0634 0.0657 0.0657 0.1465 0.1465 0.1525 0.1525 0.3523 0.3523 0.3873 0.3873 0.8745 0.8745 0.8928 0.8928 1.1602 1.1602 1.2318 1.2318 1.5923 1.5923 1.6102 1.6102 1.8610 1.8610 1.8737 1.8737 2.9394 2.9394 2.9590 2.9590 7.4935 7.4935 7.4979 7.4979 9.0009 9.0009 9.0036 9.0036 10.1794 10.1794 k = 0.5000 0.7196 0.0526 ( 6640 PWs) bands (ev): -15.8995 -15.8995 -15.8995 -15.8995 -10.5699 -10.5699 -10.5697 -10.5697 -6.0512 -6.0512 -6.0512 -6.0512 -5.4241 -5.4241 -5.4240 -5.4240 -1.3836 -1.3836 -1.3835 -1.3835 0.0635 0.0635 0.0653 0.0653 0.1344 0.1344 0.1401 0.1401 0.3438 0.3438 0.3763 0.3763 0.8734 0.8734 0.8900 0.8900 1.1589 1.1589 1.2248 1.2248 1.5902 1.5902 1.6068 1.6068 1.8634 1.8634 1.8747 1.8747 2.9419 2.9419 2.9600 2.9600 7.5359 7.5359 7.5401 7.5401 9.0248 9.0248 9.0278 9.0278 10.1394 10.1394 k = 0.5000 0.7172 0.0344 ( 6642 PWs) bands (ev): -15.8995 -15.8995 -15.8995 -15.8995 -10.5699 -10.5699 -10.5697 -10.5697 -6.0512 -6.0512 -6.0512 -6.0512 -5.4237 -5.4237 -5.4236 -5.4236 -1.3696 -1.3696 -1.3695 -1.3695 0.0632 0.0632 0.0643 0.0643 0.1218 0.1218 0.1273 0.1273 0.3374 0.3374 0.3667 0.3667 0.8727 0.8727 0.8875 0.8875 1.1583 1.1583 1.2178 1.2178 1.5883 1.5883 1.6035 1.6035 1.8654 1.8654 1.8753 1.8753 2.9444 2.9444 2.9608 2.9608 7.5771 7.5771 7.5810 7.5810 9.0451 9.0451 9.0484 9.0484 10.1038 10.1038 k = 0.5000 0.7148 0.0163 ( 6640 PWs) bands (ev): -15.8995 -15.8995 -15.8995 -15.8995 -10.5699 -10.5699 -10.5697 -10.5697 -6.0512 -6.0512 -6.0512 -6.0512 -5.4234 -5.4234 -5.4233 -5.4233 -1.3566 -1.3566 -1.3564 -1.3564 0.0622 0.0622 0.0627 0.0627 0.1098 0.1098 0.1151 0.1151 0.3329 0.3329 0.3587 0.3587 0.8722 0.8722 0.8851 0.8851 1.1586 1.1586 1.2110 1.2110 1.5868 1.5868 1.6004 1.6004 1.8672 1.8672 1.8757 1.8757 2.9469 2.9469 2.9613 2.9613 7.6159 7.6159 7.6195 7.6195 9.0616 9.0616 9.0651 9.0651 10.0731 10.0732 k = 0.5000 0.7124-0.0019 ( 6654 PWs) bands (ev): -15.8995 -15.8995 -15.8995 -15.8995 -10.5699 -10.5699 -10.5698 -10.5698 -6.0512 -6.0512 -6.0512 -6.0512 -5.4231 -5.4231 -5.4230 -5.4230 -1.3448 -1.3448 -1.3446 -1.3446 0.0600 0.0600 0.0600 0.0600 0.0994 0.0994 0.1044 0.1044 0.3300 0.3300 0.3519 0.3519 0.8721 0.8721 0.8830 0.8830 1.1596 1.1596 1.2042 1.2042 1.5857 1.5857 1.5974 1.5974 1.8688 1.8688 1.8759 1.8759 2.9492 2.9492 2.9615 2.9615 7.6514 7.6514 7.6546 7.6546 9.0743 9.0743 9.0777 9.0777 10.0472 10.0472 k = 0.5000 0.7100-0.0201 ( 6656 PWs) bands (ev): -15.8995 -15.8995 -15.8995 -15.8995 -10.5699 -10.5699 -10.5698 -10.5698 -6.0512 -6.0512 -6.0512 -6.0512 -5.4229 -5.4229 -5.4228 -5.4228 -1.3345 -1.3345 -1.3344 -1.3344 0.0561 0.0561 0.0564 0.0564 0.0917 0.0917 0.0961 0.0961 0.3284 0.3284 0.3462 0.3462 0.8722 0.8722 0.8811 0.8811 1.1614 1.1614 1.1978 1.1978 1.5851 1.5851 1.5947 1.5947 1.8702 1.8702 1.8759 1.8759 2.9514 2.9514 2.9614 2.9614 7.6824 7.6824 7.6851 7.6851 9.0834 9.0834 9.0866 9.0866 10.0265 10.0265 k = 0.5000 0.7076-0.0383 ( 6662 PWs) bands (ev): -15.8996 -15.8996 -15.8995 -15.8995 -10.5699 -10.5699 -10.5698 -10.5698 -6.0512 -6.0512 -6.0512 -6.0512 -5.4227 -5.4227 -5.4226 -5.4226 -1.3262 -1.3262 -1.3260 -1.3260 0.0515 0.0515 0.0517 0.0517 0.0871 0.0871 0.0904 0.0904 0.3280 0.3280 0.3415 0.3415 0.8726 0.8726 0.8793 0.8793 1.1639 1.1639 1.1916 1.1916 1.5849 1.5849 1.5922 1.5922 1.8715 1.8715 1.8757 1.8757 2.9534 2.9534 2.9610 2.9610 7.7080 7.7080 7.7102 7.7102 9.0895 9.0895 9.0922 9.0922 10.0111 10.0111 k = 0.5000 0.7051-0.0565 ( 6668 PWs) bands (ev): -15.8996 -15.8996 -15.8996 -15.8996 -10.5699 -10.5699 -10.5698 -10.5698 -6.0512 -6.0512 -6.0512 -6.0512 -5.4225 -5.4225 -5.4225 -5.4225 -1.3200 -1.3200 -1.3199 -1.3199 0.0471 0.0471 0.0471 0.0471 0.0846 0.0846 0.0868 0.0868 0.3285 0.3285 0.3375 0.3375 0.8732 0.8732 0.8777 0.8777 1.1671 1.1671 1.1857 1.1857 1.5851 1.5851 1.5901 1.5901 1.8725 1.8725 1.8753 1.8753 2.9553 2.9553 2.9604 2.9604 7.7272 7.7272 7.7287 7.7287 9.0933 9.0933 9.0953 9.0953 10.0006 10.0006 k = 0.5000 0.7027-0.0747 ( 6676 PWs) bands (ev): -15.8996 -15.8996 -15.8996 -15.8996 -10.5699 -10.5699 -10.5699 -10.5699 -6.0512 -6.0512 -6.0512 -6.0512 -5.4224 -5.4224 -5.4224 -5.4224 -1.3161 -1.3161 -1.3161 -1.3161 0.0440 0.0440 0.0440 0.0440 0.0837 0.0837 0.0848 0.0848 0.3297 0.3297 0.3343 0.3343 0.8740 0.8740 0.8763 0.8763 1.1709 1.1709 1.1803 1.1803 1.5857 1.5857 1.5882 1.5882 1.8734 1.8734 1.8748 1.8748 2.9569 2.9569 2.9595 2.9595 7.7393 7.7393 7.7400 7.7400 9.0955 9.0955 9.0966 9.0966 9.9946 9.9946 k = 0.5000 0.7003-0.0929 ( 6688 PWs) bands (ev): -15.8996 -15.8996 -15.8996 -15.8996 -10.5699 -10.5699 -10.5699 -10.5699 -6.0512 -6.0512 -6.0512 -6.0512 -5.4224 -5.4224 -5.4224 -5.4224 -1.3149 -1.3149 -1.3149 -1.3149 0.0428 0.0428 0.0428 0.0428 0.0838 0.0838 0.0838 0.0838 0.3316 0.3316 0.3316 0.3316 0.8750 0.8750 0.8750 0.8750 1.1753 1.1753 1.1753 1.1753 1.5867 1.5867 1.5867 1.5867 1.8742 1.8742 1.8742 1.8742 2.9583 2.9583 2.9583 2.9583 7.7436 7.7436 7.7436 7.7436 9.0965 9.0965 9.0965 9.0965 9.9928 9.9928 k = 0.5000 0.7003-0.0929 ( 6688 PWs) bands (ev): -15.8996 -15.8996 -15.8996 -15.8996 -10.5699 -10.5699 -10.5699 -10.5699 -6.0512 -6.0512 -6.0512 -6.0512 -5.4224 -5.4224 -5.4224 -5.4224 -1.3149 -1.3149 -1.3149 -1.3149 0.0428 0.0428 0.0428 0.0428 0.0838 0.0838 0.0838 0.0838 0.3316 0.3316 0.3316 0.3316 0.8750 0.8750 0.8750 0.8750 1.1753 1.1753 1.1753 1.1753 1.5867 1.5867 1.5867 1.5867 1.8742 1.8742 1.8742 1.8742 2.9583 2.9583 2.9583 2.9583 7.7436 7.7436 7.7436 7.7436 9.0965 9.0965 9.0965 9.0965 9.9928 9.9928 k = 0.4815 0.7003-0.0929 ( 6684 PWs) bands (ev): -15.9017 -15.9017 -15.8974 -15.8974 -10.5729 -10.5729 -10.5668 -10.5668 -6.0553 -6.0553 -6.0470 -6.0470 -5.4236 -5.4236 -5.4211 -5.4211 -1.3223 -1.3223 -1.3073 -1.3073 0.0317 0.0317 0.0525 0.0525 0.0715 0.0715 0.0971 0.0971 0.3261 0.3261 0.3381 0.3381 0.8671 0.8671 0.8817 0.8817 1.1668 1.1668 1.1839 1.1839 1.5617 1.5617 1.6115 1.6115 1.8653 1.8653 1.8847 1.8847 2.9460 2.9460 2.9697 2.9697 7.7382 7.7382 7.7490 7.7490 9.0232 9.0232 9.1677 9.1677 9.9676 9.9676 k = 0.4630 0.7003-0.0929 ( 6680 PWs) bands (ev): -15.9039 -15.9039 -15.8952 -15.8952 -10.5760 -10.5760 -10.5638 -10.5638 -6.0591 -6.0591 -6.0427 -6.0427 -5.4247 -5.4247 -5.4197 -5.4197 -1.3296 -1.3296 -1.2998 -1.2998 0.0200 0.0200 0.0530 0.0530 0.0680 0.0680 0.1105 0.1105 0.3214 0.3214 0.3452 0.3452 0.8581 0.8581 0.8870 0.8870 1.1583 1.1583 1.1925 1.1925 1.5365 1.5365 1.6359 1.6359 1.8580 1.8580 1.8966 1.8966 2.9330 2.9330 2.9800 2.9800 7.7328 7.7328 7.7547 7.7547 8.9487 8.9487 9.2355 9.2355 9.9453 9.9453 k = 0.4444 0.7003-0.0929 ( 6678 PWs) bands (ev): -15.9061 -15.9061 -15.8931 -15.8931 -10.5791 -10.5791 -10.5608 -10.5608 -6.0628 -6.0628 -6.0382 -6.0382 -5.4257 -5.4257 -5.4182 -5.4182 -1.3368 -1.3368 -1.2922 -1.2922 0.0080 0.0080 0.0421 0.0421 0.0755 0.0755 0.1235 0.1235 0.3179 0.3179 0.3531 0.3531 0.8480 0.8480 0.8908 0.8908 1.1499 1.1499 1.2009 1.2009 1.5113 1.5113 1.6599 1.6599 1.8526 1.8526 1.9098 1.9098 2.9194 2.9194 2.9890 2.9890 7.7273 7.7273 7.7608 7.7608 8.8740 8.8740 9.2990 9.2990 9.9251 9.9251 k = 0.4259 0.7003-0.0929 ( 6684 PWs) bands (ev): -15.9082 -15.9082 -15.8910 -15.8910 -10.5822 -10.5822 -10.5579 -10.5579 -6.0663 -6.0663 -6.0336 -6.0336 -5.4266 -5.4266 -5.4166 -5.4166 -1.3438 -1.3438 -1.2846 -1.2846 -0.0043 -0.0043 0.0303 0.0303 0.0836 0.0836 0.1357 0.1357 0.3156 0.3156 0.3616 0.3616 0.8372 0.8372 0.8931 0.8931 1.1415 1.1415 1.2089 1.2089 1.4863 1.4863 1.6834 1.6834 1.8490 1.8490 1.9240 1.9240 2.9055 2.9055 2.9964 2.9964 7.7216 7.7216 7.7674 7.7674 8.7998 8.7998 9.3574 9.3574 9.9061 9.9061 k = 0.4074 0.7003-0.0929 ( 6682 PWs) bands (ev): -15.9104 -15.9104 -15.8889 -15.8889 -10.5853 -10.5853 -10.5551 -10.5551 -6.0697 -6.0697 -6.0289 -6.0289 -5.4274 -5.4274 -5.4150 -5.4150 -1.3506 -1.3506 -1.2771 -1.2771 -0.0167 -0.0167 0.0189 0.0189 0.0911 0.0911 0.1468 0.1468 0.3148 0.3148 0.3709 0.3709 0.8258 0.8258 0.8939 0.8939 1.1334 1.1334 1.2166 1.2166 1.4618 1.4618 1.7065 1.7065 1.8473 1.8473 1.9391 1.9391 2.8914 2.8914 3.0020 3.0020 7.7156 7.7156 7.7746 7.7746 8.7271 8.7271 9.4100 9.4100 9.8872 9.8872 k = 0.3889 0.7003-0.0929 ( 6680 PWs) bands (ev): -15.9124 -15.9124 -15.8868 -15.8868 -10.5883 -10.5883 -10.5523 -10.5523 -6.0728 -6.0728 -6.0241 -6.0241 -5.4280 -5.4280 -5.4133 -5.4133 -1.3572 -1.3572 -1.2697 -1.2697 -0.0291 -0.0291 0.0081 0.0081 0.0976 0.0976 0.1564 0.1564 0.3156 0.3156 0.3808 0.3808 0.8139 0.8139 0.8932 0.8932 1.1253 1.1253 1.2234 1.2234 1.4382 1.4382 1.7292 1.7292 1.8475 1.8475 1.9548 1.9548 2.8772 2.8772 3.0058 3.0058 7.7093 7.7093 7.7827 7.7827 8.6564 8.6564 9.4565 9.4565 9.8677 9.8677 k = 0.3704 0.7003-0.0929 ( 6686 PWs) bands (ev): -15.9145 -15.9145 -15.8849 -15.8849 -10.5913 -10.5913 -10.5496 -10.5496 -6.0758 -6.0758 -6.0193 -6.0193 -5.4286 -5.4286 -5.4116 -5.4116 -1.3635 -1.3635 -1.2624 -1.2624 -0.0414 -0.0414 -0.0018 -0.0018 0.1030 0.1030 0.1641 0.1641 0.3182 0.3182 0.3914 0.3914 0.8018 0.8018 0.8911 0.8911 1.1174 1.1174 1.2289 1.2289 1.4159 1.4159 1.7514 1.7514 1.8496 1.8496 1.9711 1.9711 2.8631 2.8631 3.0074 3.0074 7.7027 7.7027 7.7918 7.7918 8.5882 8.5882 9.4965 9.4965 9.8472 9.8472 k = 0.3519 0.7003-0.0929 ( 6678 PWs) bands (ev): -15.9165 -15.9165 -15.8829 -15.8829 -10.5942 -10.5942 -10.5470 -10.5470 -6.0786 -6.0786 -6.0145 -6.0145 -5.4290 -5.4290 -5.4099 -5.4099 -1.3695 -1.3695 -1.2553 -1.2553 -0.0535 -0.0535 -0.0109 -0.0109 0.1073 0.1073 0.1700 0.1700 0.3224 0.3224 0.4027 0.4027 0.7899 0.7899 0.8877 0.8877 1.1096 1.1096 1.2326 1.2326 1.3958 1.3958 1.7733 1.7733 1.8535 1.8535 1.9878 1.9878 2.8492 2.8492 3.0067 3.0067 7.6959 7.6959 7.8020 7.8020 8.5231 8.5231 9.5296 9.5296 9.8265 9.8265 k = 0.3333 0.7003-0.0929 ( 6676 PWs) bands (ev): -15.9184 -15.9184 -15.8810 -15.8810 -10.5971 -10.5971 -10.5445 -10.5445 -6.0812 -6.0812 -6.0096 -6.0096 -5.4294 -5.4294 -5.4081 -5.4081 -1.3753 -1.3753 -1.2483 -1.2483 -0.0655 -0.0655 -0.0190 -0.0190 0.1104 0.1104 0.1740 0.1740 0.3281 0.3281 0.4145 0.4145 0.7781 0.7781 0.8831 0.8831 1.1020 1.1020 1.2335 1.2335 1.3787 1.3787 1.7947 1.7947 1.8593 1.8593 2.0046 2.0046 2.8356 2.8356 3.0036 3.0036 7.6889 7.6889 7.8132 7.8132 8.4614 8.4614 9.5547 9.5547 9.8072 9.8072 k = 0.3148 0.7003-0.0929 ( 6680 PWs) bands (ev): -15.9203 -15.9203 -15.8792 -15.8792 -10.5998 -10.5998 -10.5421 -10.5421 -6.0837 -6.0837 -6.0047 -6.0047 -5.4296 -5.4296 -5.4063 -5.4063 -1.3808 -1.3808 -1.2416 -1.2416 -0.0773 -0.0773 -0.0261 -0.0261 0.1124 0.1124 0.1763 0.1763 0.3349 0.3349 0.4268 0.4268 0.7670 0.7670 0.8774 0.8774 1.0944 1.0944 1.2307 1.2307 1.3656 1.3656 1.8154 1.8154 1.8672 1.8672 2.0213 2.0213 2.8224 2.8224 2.9980 2.9980 7.6816 7.6816 7.8256 7.8256 8.4034 8.4034 9.5699 9.5699 9.7928 9.7928 k = 0.2963 0.7003-0.0929 ( 6688 PWs) bands (ev): -15.9222 -15.9222 -15.8775 -15.8775 -10.6025 -10.6025 -10.5398 -10.5398 -6.0859 -6.0859 -5.9999 -5.9999 -5.4297 -5.4297 -5.4046 -5.4046 -1.3859 -1.3859 -1.2352 -1.2352 -0.0888 -0.0888 -0.0322 -0.0322 0.1131 0.1131 0.1772 0.1772 0.3424 0.3424 0.4395 0.4395 0.7566 0.7566 0.8708 0.8708 1.0869 1.0869 1.2237 1.2237 1.3573 1.3573 1.8346 1.8346 1.8778 1.8778 2.0378 2.0378 2.8097 2.8097 2.9898 2.9898 7.6742 7.6742 7.8390 7.8390 8.3496 8.3496 9.5727 9.5727 9.7868 9.7868 k = 0.2778 0.7003-0.0929 ( 6682 PWs) bands (ev): -15.9239 -15.9239 -15.8758 -15.8758 -10.6051 -10.6051 -10.5376 -10.5376 -6.0880 -6.0880 -5.9952 -5.9952 -5.4298 -5.4298 -5.4029 -5.4029 -1.3907 -1.3907 -1.2289 -1.2289 -0.0999 -0.0999 -0.0372 -0.0372 0.1128 0.1128 0.1772 0.1772 0.3501 0.3501 0.4521 0.4521 0.7473 0.7473 0.8633 0.8633 1.0796 1.0796 1.2128 1.2128 1.3534 1.3534 1.8515 1.8515 1.8921 1.8921 2.0540 2.0540 2.7975 2.7975 2.9790 2.9790 7.6668 7.6668 7.8533 7.8533 8.3001 8.3001 9.5626 9.5626 9.7912 9.7912 k = 0.2593 0.7003-0.0929 ( 6678 PWs) bands (ev): -15.9256 -15.9256 -15.8742 -15.8742 -10.6076 -10.6076 -10.5356 -10.5356 -6.0899 -6.0899 -5.9906 -5.9906 -5.4297 -5.4297 -5.4012 -5.4012 -1.3952 -1.3952 -1.2230 -1.2230 -0.1106 -0.1106 -0.0413 -0.0413 0.1114 0.1114 0.1765 0.1765 0.3579 0.3579 0.4646 0.4646 0.7393 0.7393 0.8552 0.8552 1.0724 1.0724 1.1990 1.1990 1.3531 1.3531 1.8653 1.8653 1.9106 1.9106 2.0698 2.0698 2.7858 2.7858 2.9656 2.9656 7.6594 7.6594 7.8681 7.8681 8.2555 8.2555 9.5423 9.5423 9.8042 9.8042 k = 0.2407 0.7003-0.0929 ( 6678 PWs) bands (ev): -15.9271 -15.9271 -15.8727 -15.8727 -10.6100 -10.6100 -10.5336 -10.5336 -6.0917 -6.0917 -5.9861 -5.9861 -5.4297 -5.4297 -5.3996 -5.3996 -1.3993 -1.3993 -1.2174 -1.2174 -0.1208 -0.1208 -0.0443 -0.0443 0.1090 0.1090 0.1752 0.1752 0.3655 0.3655 0.4764 0.4764 0.7328 0.7328 0.8466 0.8466 1.0654 1.0654 1.1836 1.1836 1.3551 1.3551 1.8766 1.8766 1.9325 1.9325 2.0849 2.0849 2.7748 2.7748 2.9497 2.9497 7.6522 7.6522 7.8829 7.8829 8.2161 8.2161 9.5158 9.5158 9.8230 9.8230 k = 0.2222 0.7003-0.0929 ( 6680 PWs) bands (ev): -15.9286 -15.9286 -15.8713 -15.8713 -10.6122 -10.6122 -10.5318 -10.5318 -6.0933 -6.0933 -5.9817 -5.9817 -5.4295 -5.4295 -5.3981 -5.3981 -1.4032 -1.4032 -1.2121 -1.2121 -0.1305 -0.1305 -0.0464 -0.0464 0.1057 0.1057 0.1736 0.1736 0.3726 0.3726 0.4873 0.4873 0.7281 0.7281 0.8375 0.8375 1.0586 1.0586 1.1675 1.1675 1.3587 1.3587 1.8864 1.8864 1.9568 1.9568 2.0994 2.0994 2.7644 2.7644 2.9314 2.9314 7.6451 7.6451 7.8967 7.8967 8.1826 8.1826 9.4864 9.4864 9.8448 9.8448 k = 0.2037 0.7003-0.0929 ( 6678 PWs) bands (ev): -15.9300 -15.9300 -15.8700 -15.8700 -10.6143 -10.6143 -10.5301 -10.5301 -6.0947 -6.0947 -5.9776 -5.9776 -5.4294 -5.4294 -5.3966 -5.3966 -1.4067 -1.4067 -1.2072 -1.2072 -0.1397 -0.1397 -0.0475 -0.0475 0.1017 0.1017 0.1719 0.1719 0.3791 0.3791 0.4971 0.4971 0.7253 0.7253 0.8282 0.8282 1.0521 1.0521 1.1515 1.1515 1.3629 1.3629 1.8951 1.8951 1.9829 1.9829 2.1130 2.1130 2.7546 2.7546 2.9111 2.9111 7.6383 7.6383 7.9084 7.9084 8.1560 8.1560 9.4560 9.4560 9.8682 9.8682 k = 0.1852 0.7003-0.0929 ( 6670 PWs) bands (ev): -15.9313 -15.9313 -15.8688 -15.8688 -10.6162 -10.6162 -10.5286 -10.5286 -6.0960 -6.0960 -5.9737 -5.9737 -5.4291 -5.4291 -5.3952 -5.3952 -1.4098 -1.4098 -1.2027 -1.2027 -0.1482 -0.1482 -0.0478 -0.0478 0.0970 0.0970 0.1701 0.1701 0.3851 0.3851 0.5055 0.5055 0.7244 0.7244 0.8188 0.8188 1.0459 1.0459 1.1360 1.1360 1.3676 1.3676 1.9031 1.9031 2.0102 2.0102 2.1257 2.1257 2.7454 2.7454 2.8889 2.8889 7.6318 7.6318 7.9166 7.9166 8.1373 8.1373 9.4261 9.4261 9.8921 9.8921 k = 0.1667 0.7003-0.0929 ( 6672 PWs) bands (ev): -15.9325 -15.9325 -15.8677 -15.8677 -10.6180 -10.6180 -10.5272 -10.5272 -6.0971 -6.0971 -5.9701 -5.9701 -5.4289 -5.4289 -5.3940 -5.3940 -1.4126 -1.4126 -1.1986 -1.1986 -0.1560 -0.1560 -0.0474 -0.0474 0.0919 0.0919 0.1683 0.1683 0.3903 0.3903 0.5124 0.5124 0.7254 0.7254 0.8095 0.8095 1.0403 1.0403 1.1213 1.1213 1.3722 1.3722 1.9103 1.9103 2.0384 2.0384 2.1375 2.1375 2.7366 2.7366 2.8653 2.8653 7.6258 7.6258 7.9199 7.9199 8.1274 8.1274 9.3975 9.3975 9.9157 9.9157 k = 0.1481 0.7003-0.0929 ( 6662 PWs) bands (ev): -15.9336 -15.9336 -15.8667 -15.8667 -10.6196 -10.6196 -10.5260 -10.5260 -6.0981 -6.0981 -5.9667 -5.9667 -5.4287 -5.4287 -5.3928 -5.3928 -1.4152 -1.4152 -1.1948 -1.1948 -0.1632 -0.1632 -0.0462 -0.0462 0.0865 0.0865 0.1666 0.1666 0.3948 0.3948 0.5181 0.5181 0.7278 0.7278 0.8003 0.8003 1.0354 1.0354 1.1075 1.1075 1.3767 1.3767 1.9168 1.9168 2.0672 2.0672 2.1482 2.1482 2.7281 2.7281 2.8410 2.8410 7.6202 7.6202 7.9182 7.9182 8.1258 8.1258 9.3710 9.3710 9.9384 9.9384 k = 0.1296 0.7003-0.0929 ( 6662 PWs) bands (ev): -15.9345 -15.9345 -15.8658 -15.8658 -10.6210 -10.6210 -10.5248 -10.5248 -6.0990 -6.0990 -5.9637 -5.9637 -5.4285 -5.4285 -5.3918 -5.3918 -1.4174 -1.4174 -1.1915 -1.1915 -0.1696 -0.1696 -0.0445 -0.0445 0.0809 0.0809 0.1651 0.1651 0.3985 0.3985 0.5225 0.5225 0.7314 0.7314 0.7915 0.7915 1.0312 1.0312 1.0947 1.0947 1.3809 1.3809 1.9226 1.9226 2.0960 2.0960 2.1579 2.1579 2.7196 2.7196 2.8166 2.8166 7.6151 7.6151 7.9125 7.9125 8.1309 8.1309 9.3469 9.3469 9.9597 9.9597 k = 0.1111 0.7003-0.0929 ( 6662 PWs) bands (ev): -15.9353 -15.9353 -15.8650 -15.8650 -10.6223 -10.6223 -10.5239 -10.5239 -6.0998 -6.0998 -5.9610 -5.9610 -5.4282 -5.4282 -5.3908 -5.3908 -1.4193 -1.4193 -1.1886 -1.1886 -0.1752 -0.1752 -0.0425 -0.0425 0.0754 0.0754 0.1637 0.1637 0.4015 0.4015 0.5261 0.5261 0.7357 0.7357 0.7833 0.7833 1.0279 1.0279 1.0829 1.0829 1.3847 1.3847 1.9277 1.9277 2.1243 2.1243 2.1665 2.1665 2.7106 2.7106 2.7935 2.7935 7.6106 7.6106 7.9046 7.9046 8.1403 8.1403 9.3255 9.3255 9.9792 9.9792 k = 0.0926 0.7003-0.0929 ( 6658 PWs) bands (ev): -15.9360 -15.9360 -15.8644 -15.8644 -10.6233 -10.6233 -10.5231 -10.5231 -6.1004 -6.1004 -5.9587 -5.9587 -5.4280 -5.4280 -5.3901 -5.3901 -1.4208 -1.4208 -1.1861 -1.1861 -0.1800 -0.1800 -0.0401 -0.0401 0.0701 0.0701 0.1625 0.1625 0.4038 0.4038 0.5288 0.5288 0.7403 0.7403 0.7759 0.7759 1.0257 1.0257 1.0723 1.0723 1.3880 1.3880 1.9320 1.9320 2.1509 2.1509 2.1744 2.1744 2.7004 2.7004 2.7730 2.7730 7.6068 7.6068 7.8960 7.8960 8.1516 8.1516 9.3072 9.3072 9.9965 9.9965 k = 0.0741 0.7003-0.0929 ( 6644 PWs) bands (ev): -15.9366 -15.9366 -15.8638 -15.8638 -10.6242 -10.6242 -10.5224 -10.5224 -6.1009 -6.1009 -5.9568 -5.9568 -5.4278 -5.4278 -5.3894 -5.3894 -1.4221 -1.4221 -1.1841 -1.1841 -0.1839 -0.1839 -0.0377 -0.0377 0.0652 0.0652 0.1615 0.1615 0.4055 0.4055 0.5310 0.5310 0.7446 0.7446 0.7696 0.7696 1.0246 1.0246 1.0627 1.0627 1.3908 1.3908 1.9356 1.9356 2.1722 2.1722 2.1845 2.1845 2.6885 2.6885 2.7567 2.7567 7.6036 7.6036 7.8880 7.8880 8.1631 8.1631 9.2920 9.2920 10.0112 10.0112 k = 0.0556 0.7003-0.0929 ( 6644 PWs) bands (ev): -15.9371 -15.9371 -15.8634 -15.8634 -10.6249 -10.6249 -10.5219 -10.5219 -6.1013 -6.1013 -5.9553 -5.9553 -5.4277 -5.4277 -5.3889 -5.3889 -1.4231 -1.4231 -1.1825 -1.1825 -0.1871 -0.1871 -0.0355 -0.0355 0.0611 0.0611 0.1607 0.1607 0.4067 0.4067 0.5327 0.5327 0.7482 0.7482 0.7646 0.7646 1.0247 1.0247 1.0542 1.0542 1.3930 1.3930 1.9384 1.9384 2.1812 2.1812 2.2023 2.2023 2.6755 2.6755 2.7452 2.7452 7.6010 7.6010 7.8812 7.8812 8.1734 8.1734 9.2800 9.2800 10.0230 10.0230 k = 0.0370 0.7003-0.0929 ( 6648 PWs) bands (ev): -15.9374 -15.9374 -15.8631 -15.8631 -10.6254 -10.6254 -10.5215 -10.5215 -6.1016 -6.1016 -5.9542 -5.9542 -5.4276 -5.4276 -5.3885 -5.3885 -1.4239 -1.4239 -1.1814 -1.1814 -0.1893 -0.1893 -0.0336 -0.0336 0.0578 0.0578 0.1601 0.1601 0.4074 0.4074 0.5338 0.5338 0.7506 0.7506 0.7611 0.7611 1.0258 1.0258 1.0470 1.0470 1.3946 1.3946 1.9403 1.9403 2.1853 2.1853 2.2191 2.2191 2.6634 2.6634 2.7380 2.7380 7.5992 7.5992 7.8761 7.8761 8.1814 8.1814 9.2715 9.2715 10.0316 10.0316 k = 0.0185 0.7003-0.0929 ( 6644 PWs) bands (ev): -15.9376 -15.9376 -15.8629 -15.8629 -10.6257 -10.6257 -10.5213 -10.5213 -6.1018 -6.1018 -5.9535 -5.9535 -5.4275 -5.4275 -5.3883 -5.3883 -1.4243 -1.4243 -1.1807 -1.1807 -0.1906 -0.1906 -0.0324 -0.0324 0.0558 0.0558 0.1598 0.1598 0.4079 0.4079 0.5345 0.5345 0.7517 0.7517 0.7595 0.7595 1.0277 1.0277 1.0415 1.0415 1.3956 1.3956 1.9415 1.9415 2.1875 2.1875 2.2302 2.2302 2.6549 2.6549 2.7342 2.7342 7.5981 7.5981 7.8730 7.8730 8.1864 8.1864 9.2663 9.2663 10.0368 10.0368 k = 0.0000 0.7003-0.0929 ( 6636 PWs) bands (ev): -15.9376 -15.9376 -15.8628 -15.8628 -10.6258 -10.6258 -10.5212 -10.5212 -6.1018 -6.1018 -5.9533 -5.9533 -5.4275 -5.4275 -5.3882 -5.3882 -1.4244 -1.4244 -1.1804 -1.1804 -0.1911 -0.1911 -0.0320 -0.0320 0.0551 0.0551 0.1597 0.1597 0.4080 0.4080 0.5348 0.5348 0.7519 0.7519 0.7591 0.7591 1.0290 1.0290 1.0391 1.0391 1.3959 1.3959 1.9419 1.9419 2.1882 2.1882 2.2341 2.2341 2.6519 2.6519 2.7330 2.7330 7.5977 7.5977 7.8719 7.8719 8.1882 8.1882 9.2646 9.2646 10.0386 10.0386 k = 0.0000 0.7003-0.0929 ( 6636 PWs) bands (ev): -15.9376 -15.9376 -15.8628 -15.8628 -10.6258 -10.6258 -10.5212 -10.5212 -6.1018 -6.1018 -5.9533 -5.9533 -5.4275 -5.4275 -5.3882 -5.3882 -1.4244 -1.4244 -1.1804 -1.1804 -0.1911 -0.1911 -0.0320 -0.0320 0.0551 0.0551 0.1597 0.1597 0.4080 0.4080 0.5348 0.5348 0.7519 0.7519 0.7591 0.7591 1.0290 1.0290 1.0391 1.0391 1.3959 1.3959 1.9419 1.9419 2.1882 2.1882 2.2341 2.2341 2.6519 2.6519 2.7330 2.7330 7.5977 7.5977 7.8719 7.8719 8.1882 8.1882 9.2646 9.2646 10.0386 10.0386 k = 0.0000 0.7027-0.0747 ( 6640 PWs) bands (ev): -15.9376 -15.9376 -15.8628 -15.8628 -10.6257 -10.6257 -10.5213 -10.5213 -6.1019 -6.1019 -5.9532 -5.9532 -5.4276 -5.4276 -5.3882 -5.3882 -1.4258 -1.4258 -1.1818 -1.1818 -0.1891 -0.1891 -0.0312 -0.0312 0.0552 0.0552 0.1599 0.1599 0.4092 0.4092 0.5350 0.5350 0.7513 0.7513 0.7598 0.7598 1.0285 1.0285 1.0395 1.0395 1.3962 1.3962 1.9424 1.9424 2.1880 2.1880 2.2343 2.2343 2.6511 2.6511 2.7322 2.7322 7.5949 7.5949 7.8726 7.8726 8.1881 8.1881 9.2647 9.2647 10.0322 10.0322 k = 0.0000 0.7051-0.0565 ( 6642 PWs) bands (ev): -15.9376 -15.9376 -15.8629 -15.8629 -10.6254 -10.6254 -10.5216 -10.5216 -6.1020 -6.1020 -5.9531 -5.9531 -5.4277 -5.4277 -5.3882 -5.3882 -1.4299 -1.4299 -1.1857 -1.1857 -0.1835 -0.1835 -0.0291 -0.0291 0.0557 0.0557 0.1606 0.1606 0.4125 0.4125 0.5357 0.5357 0.7499 0.7499 0.7616 0.7616 1.0274 1.0274 1.0407 1.0407 1.3970 1.3970 1.9439 1.9439 2.1872 2.1872 2.2350 2.2350 2.6486 2.6486 2.7300 2.7300 7.5867 7.5867 7.8746 7.8746 8.1880 8.1880 9.2652 9.2652 10.0140 10.0140 k = 0.0000 0.7076-0.0383 ( 6645 PWs) bands (ev): -15.9375 -15.9375 -15.8629 -15.8629 -10.6249 -10.6249 -10.5221 -10.5221 -6.1023 -6.1023 -5.9528 -5.9528 -5.4279 -5.4279 -5.3882 -5.3882 -1.4366 -1.4366 -1.1922 -1.1922 -0.1742 -0.1742 -0.0257 -0.0257 0.0564 0.0564 0.1619 0.1619 0.4180 0.4180 0.5370 0.5370 0.7484 0.7484 0.7639 0.7639 1.0258 1.0258 1.0424 1.0424 1.3982 1.3982 1.9463 1.9463 2.1859 2.1859 2.2361 2.2361 2.6446 2.6446 2.7264 2.7264 7.5733 7.5733 7.8777 7.8777 8.1878 8.1878 9.2658 9.2658 9.9860 9.9860 k = 0.0000 0.7100-0.0201 ( 6648 PWs) bands (ev): -15.9374 -15.9374 -15.8630 -15.8630 -10.6242 -10.6242 -10.5228 -10.5228 -6.1027 -6.1027 -5.9524 -5.9524 -5.4282 -5.4282 -5.3881 -5.3881 -1.4457 -1.4457 -1.2010 -1.2010 -0.1618 -0.1618 -0.0213 -0.0213 0.0574 0.0574 0.1637 0.1637 0.4251 0.4251 0.5392 0.5392 0.7470 0.7470 0.7663 0.7663 1.0241 1.0241 1.0443 1.0443 1.4001 1.4001 1.9497 1.9497 2.1842 2.1842 2.2376 2.2376 2.6389 2.6389 2.7213 2.7213 7.5555 7.5555 7.8814 7.8814 8.1875 8.1875 9.2668 9.2668 9.9513 9.9513 k = 0.0000 0.7124-0.0019 ( 6650 PWs) bands (ev): -15.9373 -15.9373 -15.8631 -15.8631 -10.6232 -10.6232 -10.5238 -10.5238 -6.1033 -6.1033 -5.9519 -5.9519 -5.4286 -5.4286 -5.3881 -5.3881 -1.4567 -1.4567 -1.2118 -1.2118 -0.1466 -0.1466 -0.0162 -0.0162 0.0586 0.0586 0.1664 0.1664 0.4334 0.4334 0.5427 0.5427 0.7458 0.7458 0.7689 0.7689 1.0224 1.0224 1.0463 1.0463 1.4024 1.4024 1.9539 1.9539 2.1821 2.1821 2.2395 2.2395 2.6318 2.6318 2.7149 2.7149 7.5337 7.5337 7.8856 7.8856 8.1872 8.1872 9.2680 9.2680 9.9123 9.9123 k = 0.0000 0.7148 0.0163 ( 6650 PWs) bands (ev): -15.9372 -15.9372 -15.8632 -15.8632 -10.6221 -10.6221 -10.5249 -10.5249 -6.1038 -6.1038 -5.9513 -5.9513 -5.4291 -5.4291 -5.3881 -5.3881 -1.4693 -1.4693 -1.2244 -1.2244 -0.1294 -0.1294 -0.0108 -0.0108 0.0601 0.0601 0.1699 0.1699 0.4422 0.4422 0.5479 0.5479 0.7449 0.7449 0.7715 0.7715 1.0208 1.0208 1.0485 1.0485 1.4053 1.4053 1.9589 1.9589 2.1795 2.1795 2.2418 2.2418 2.6232 2.6232 2.7072 2.7072 7.5088 7.5088 7.8899 7.8899 8.1868 8.1868 9.2693 9.2693 9.8714 9.8714 k = 0.0000 0.7172 0.0344 ( 6650 PWs) bands (ev): -15.9370 -15.9370 -15.8634 -15.8634 -10.6208 -10.6208 -10.5262 -10.5262 -6.1045 -6.1045 -5.9506 -5.9506 -5.4297 -5.4297 -5.3880 -5.3880 -1.4832 -1.4832 -1.2382 -1.2382 -0.1106 -0.1106 -0.0053 -0.0053 0.0619 0.0619 0.1745 0.1745 0.4505 0.4505 0.5554 0.5554 0.7444 0.7444 0.7743 0.7743 1.0192 1.0192 1.0507 1.0507 1.4087 1.4087 1.9647 1.9647 2.1766 2.1766 2.2444 2.2444 2.6132 2.6132 2.6983 2.6983 7.4814 7.4814 7.8940 7.8940 8.1863 8.1863 9.2708 9.2708 9.8305 9.8305 k = 0.0000 0.7196 0.0526 ( 6649 PWs) bands (ev): -15.9369 -15.9369 -15.8635 -15.8635 -10.6194 -10.6194 -10.5277 -10.5277 -6.1052 -6.1052 -5.9498 -5.9498 -5.4303 -5.4303 -5.3880 -5.3880 -1.4979 -1.4979 -1.2531 -1.2531 -0.0912 -0.0912 0.0001 0.0001 0.0638 0.0638 0.1804 0.1804 0.4577 0.4577 0.5656 0.5656 0.7445 0.7445 0.7770 0.7770 1.0178 1.0178 1.0531 1.0531 1.4126 1.4126 1.9711 1.9711 2.1733 2.1733 2.2474 2.2474 2.6021 2.6021 2.6883 2.6883 7.4521 7.4521 7.8980 7.8980 8.1858 8.1858 9.2724 9.2724 9.7908 9.7908 k = 0.0000 0.7220 0.0708 ( 6639 PWs) bands (ev): -15.9367 -15.9367 -15.8637 -15.8637 -10.6177 -10.6177 -10.5293 -10.5293 -6.1060 -6.1060 -5.9490 -5.9490 -5.4309 -5.4309 -5.3880 -5.3880 -1.5131 -1.5131 -1.2686 -1.2686 -0.0717 -0.0717 0.0052 0.0052 0.0660 0.0660 0.1877 0.1877 0.4631 0.4631 0.5783 0.5783 0.7452 0.7452 0.7799 0.7799 1.0166 1.0166 1.0555 1.0555 1.4170 1.4170 1.9782 1.9782 2.1697 2.1697 2.2507 2.2507 2.5898 2.5898 2.6773 2.6773 7.4216 7.4216 7.9016 7.9016 8.1853 8.1853 9.2740 9.2740 9.7536 9.7536 k = 0.0000 0.7244 0.0890 ( 6646 PWs) bands (ev): -15.9365 -15.9365 -15.8639 -15.8639 -10.6159 -10.6159 -10.5312 -10.5312 -6.1068 -6.1068 -5.9482 -5.9482 -5.4316 -5.4316 -5.3879 -5.3879 -1.5284 -1.5284 -1.2844 -1.2844 -0.0531 -0.0531 0.0098 0.0098 0.0683 0.0683 0.1966 0.1966 0.4668 0.4668 0.5929 0.5929 0.7468 0.7468 0.7828 0.7828 1.0155 1.0155 1.0581 1.0581 1.4217 1.4217 1.9857 1.9857 2.1658 2.1658 2.2543 2.2543 2.5765 2.5765 2.6655 2.6655 7.3903 7.3903 7.9049 7.9049 8.1847 8.1847 9.2755 9.2755 9.7196 9.7196 k = 0.0000 0.7268 0.1072 ( 6654 PWs) bands (ev): -15.9363 -15.9363 -15.8641 -15.8641 -10.6140 -10.6140 -10.5332 -10.5332 -6.1077 -6.1077 -5.9474 -5.9474 -5.4323 -5.4323 -5.3879 -5.3879 -1.5435 -1.5435 -1.3001 -1.3001 -0.0359 -0.0359 0.0142 0.0142 0.0707 0.0707 0.2072 0.2072 0.4690 0.4690 0.6085 0.6085 0.7495 0.7495 0.7859 0.7859 1.0147 1.0147 1.0607 1.0607 1.4269 1.4269 1.9935 1.9935 2.1616 2.1616 2.2581 2.2581 2.5624 2.5624 2.6530 2.6530 7.3590 7.3590 7.9078 7.9078 8.1842 8.1842 9.2769 9.2769 9.6891 9.6891 k = 0.0000 0.7293 0.1254 ( 6650 PWs) bands (ev): -15.9361 -15.9361 -15.8642 -15.8642 -10.6119 -10.6119 -10.5353 -10.5353 -6.1085 -6.1085 -5.9465 -5.9465 -5.4331 -5.4331 -5.3879 -5.3879 -1.5582 -1.5582 -1.3155 -1.3155 -0.0208 -0.0208 0.0183 0.0183 0.0732 0.0732 0.2193 0.2193 0.4700 0.4700 0.6238 0.6238 0.7534 0.7534 0.7894 0.7894 1.0141 1.0141 1.0636 1.0636 1.4325 1.4325 2.0016 2.0016 2.1572 2.1572 2.2623 2.2623 2.5477 2.5477 2.6402 2.6402 7.3282 7.3282 7.9105 7.9105 8.1836 8.1836 9.2782 9.2782 9.6626 9.6626 k = 0.0000 0.7317 0.1436 ( 6656 PWs) bands (ev): -15.9359 -15.9359 -15.8644 -15.8644 -10.6098 -10.6098 -10.5375 -10.5375 -6.1094 -6.1094 -5.9457 -5.9457 -5.4338 -5.4338 -5.3879 -5.3879 -1.5721 -1.5721 -1.3302 -1.3302 -0.0084 -0.0084 0.0225 0.0225 0.0758 0.0758 0.2327 0.2327 0.4700 0.4700 0.6377 0.6377 0.7584 0.7584 0.7934 0.7934 1.0137 1.0137 1.0665 1.0665 1.4383 1.4383 2.0099 2.0099 2.1526 2.1526 2.2667 2.2667 2.5328 2.5328 2.6271 2.6271 7.2983 7.2983 7.9131 7.9131 8.1830 8.1830 9.2792 9.2792 9.6400 9.6400 k = 0.0000 0.7341 0.1617 ( 6649 PWs) bands (ev): -15.9357 -15.9357 -15.8646 -15.8646 -10.6075 -10.6075 -10.5399 -10.5399 -6.1102 -6.1102 -5.9448 -5.9448 -5.4346 -5.4346 -5.3879 -5.3879 -1.5851 -1.5851 -1.3441 -1.3441 0.0013 0.0013 0.0269 0.0269 0.0784 0.0784 0.2470 0.2470 0.4695 0.4695 0.6495 0.6495 0.7641 0.7641 0.7985 0.7985 1.0136 1.0136 1.0696 1.0696 1.4443 1.4443 2.0182 2.0182 2.1478 2.1478 2.2713 2.2713 2.5178 2.5178 2.6141 2.6141 7.2699 7.2699 7.9156 7.9156 8.1824 8.1824 9.2802 9.2802 9.6210 9.6210 k = 0.0000 0.7365 0.1799 ( 6647 PWs) bands (ev): -15.9355 -15.9355 -15.8648 -15.8648 -10.6051 -10.6051 -10.5423 -10.5423 -6.1110 -6.1110 -5.9440 -5.9440 -5.4353 -5.4353 -5.3879 -5.3879 -1.5970 -1.5970 -1.3568 -1.3568 0.0080 0.0080 0.0318 0.0318 0.0810 0.0810 0.2617 0.2617 0.4686 0.4686 0.6587 0.6587 0.7697 0.7697 0.8051 0.8051 1.0137 1.0137 1.0728 1.0728 1.4504 1.4504 2.0264 2.0264 2.1430 2.1430 2.2761 2.2761 2.5031 2.5031 2.6015 2.6015 7.2435 7.2435 7.9182 7.9182 8.1819 8.1819 9.2810 9.2810 9.6051 9.6051 k = 0.0000 0.7389 0.1981 ( 6644 PWs) bands (ev): -15.9353 -15.9353 -15.8650 -15.8650 -10.6028 -10.6028 -10.5448 -10.5448 -6.1117 -6.1117 -5.9433 -5.9433 -5.4360 -5.4360 -5.3879 -5.3879 -1.6076 -1.6076 -1.3683 -1.3683 0.0125 0.0125 0.0367 0.0367 0.0835 0.0835 0.2760 0.2760 0.4674 0.4674 0.6656 0.6656 0.7744 0.7744 0.8132 0.8132 1.0140 1.0140 1.0760 1.0760 1.4563 1.4563 2.0344 2.0344 2.1380 2.1380 2.2811 2.2811 2.4891 2.4891 2.5896 2.5896 7.2194 7.2194 7.9211 7.9211 8.1814 8.1814 9.2817 9.2817 9.5916 9.5916 k = 0.0000 0.7413 0.2163 ( 6650 PWs) bands (ev): -15.9351 -15.9351 -15.8652 -15.8652 -10.6004 -10.6004 -10.5473 -10.5473 -6.1125 -6.1125 -5.9426 -5.9426 -5.4367 -5.4367 -5.3879 -5.3879 -1.6168 -1.6168 -1.3783 -1.3783 0.0155 0.0155 0.0413 0.0413 0.0859 0.0859 0.2895 0.2895 0.4660 0.4660 0.6706 0.6706 0.7778 0.7778 0.8222 0.8222 1.0145 1.0145 1.0791 1.0791 1.4619 1.4619 2.0420 2.0420 2.1330 2.1330 2.2862 2.2862 2.4761 2.4761 2.5786 2.5786 7.1980 7.1980 7.9246 7.9246 8.1809 8.1809 9.2824 9.2824 9.5798 9.5798 k = 0.0000 0.7437 0.2345 ( 6648 PWs) bands (ev): -15.9350 -15.9350 -15.8653 -15.8653 -10.5980 -10.5980 -10.5498 -10.5498 -6.1131 -6.1131 -5.9420 -5.9420 -5.4373 -5.4373 -5.3879 -5.3879 -1.6245 -1.6245 -1.3868 -1.3868 0.0175 0.0175 0.0451 0.0451 0.0881 0.0881 0.3016 0.3016 0.4646 0.4646 0.6740 0.6740 0.7800 0.7800 0.8311 0.8311 1.0152 1.0152 1.0821 1.0821 1.4671 1.4671 2.0491 2.0491 2.1280 2.1280 2.2914 2.2914 2.4646 2.4646 2.5689 2.5689 7.1796 7.1796 7.9287 7.9287 8.1805 8.1805 9.2831 9.2831 9.5685 9.5685 k = 0.0000 0.7461 0.2527 ( 6650 PWs) bands (ev): -15.9349 -15.9349 -15.8654 -15.8654 -10.5957 -10.5957 -10.5522 -10.5522 -6.1137 -6.1137 -5.9415 -5.9415 -5.4379 -5.4379 -5.3879 -5.3879 -1.6306 -1.6306 -1.3935 -1.3935 0.0190 0.0190 0.0481 0.0481 0.0903 0.0903 0.3118 0.3118 0.4631 0.4631 0.6763 0.6763 0.7814 0.7814 0.8390 0.8390 1.0160 1.0160 1.0848 1.0848 1.4713 1.4713 2.0556 2.0556 2.1231 2.1231 2.2966 2.2966 2.4549 2.4549 2.5607 2.5607 7.1645 7.1645 7.9336 7.9336 8.1801 8.1801 9.2836 9.2836 9.5569 9.5569 k = 0.5000 0.6545 0.4384 ( 6638 PWs) bands (ev): -15.8994 -15.8994 -15.8994 -15.8994 -10.5701 -10.5701 -10.5698 -10.5698 -6.0512 -6.0512 -6.0512 -6.0512 -5.4289 -5.4289 -5.4287 -5.4287 -1.5141 -1.5141 -1.5128 -1.5128 0.0574 0.0574 0.0636 0.0636 0.1970 0.1970 0.2042 0.2042 0.4778 0.4778 0.5175 0.5175 0.8917 0.8917 0.9301 0.9301 1.2122 1.2122 1.2882 1.2882 1.6220 1.6220 1.6443 1.6443 1.8265 1.8265 1.8495 1.8495 2.9303 2.9303 2.9476 2.9476 7.1512 7.1512 7.1596 7.1596 8.7177 8.7177 8.7201 8.7201 10.6708 10.6708 k = 0.5000 0.6363 0.4384 ( 6638 PWs) bands (ev): -15.8996 -15.8996 -15.8996 -15.8996 -10.5713 -10.5713 -10.5708 -10.5708 -6.0508 -6.0508 -6.0507 -6.0507 -5.4274 -5.4274 -5.4273 -5.4273 -1.5159 -1.5159 -1.5140 -1.5140 0.0557 0.0557 0.0643 0.0643 0.1992 0.1992 0.2060 0.2060 0.4740 0.4740 0.5273 0.5273 0.8805 0.8805 0.9362 0.9362 1.2090 1.2090 1.3003 1.3003 1.6147 1.6147 1.6458 1.6458 1.8280 1.8280 1.8567 1.8567 2.9254 2.9254 2.9447 2.9447 7.1521 7.1521 7.1646 7.1646 8.7233 8.7233 8.7266 8.7266 10.6584 10.6584 k = 0.5000 0.6181 0.4384 ( 6634 PWs) bands (ev): -15.8999 -15.8999 -15.8999 -15.8999 -10.5728 -10.5728 -10.5722 -10.5722 -6.0502 -6.0502 -6.0501 -6.0501 -5.4256 -5.4256 -5.4254 -5.4254 -1.5166 -1.5166 -1.5141 -1.5141 0.0540 0.0540 0.0649 0.0649 0.2009 0.2009 0.2083 0.2083 0.4702 0.4702 0.5348 0.5348 0.8685 0.8685 0.9413 0.9413 1.2078 1.2078 1.3122 1.3122 1.6074 1.6074 1.6465 1.6465 1.8304 1.8304 1.8646 1.8646 2.9211 2.9211 2.9423 2.9423 7.1558 7.1558 7.1723 7.1723 8.7301 8.7301 8.7345 8.7345 10.6444 10.6444 k = 0.5000 0.6000 0.4384 ( 6642 PWs) bands (ev): -15.9003 -15.9003 -15.9002 -15.9002 -10.5747 -10.5747 -10.5740 -10.5740 -6.0495 -6.0495 -6.0494 -6.0494 -5.4235 -5.4235 -5.4232 -5.4232 -1.5162 -1.5162 -1.5132 -1.5132 0.0522 0.0522 0.0653 0.0653 0.2018 0.2018 0.2109 0.2109 0.4665 0.4665 0.5400 0.5400 0.8560 0.8560 0.9455 0.9455 1.2086 1.2086 1.3237 1.3237 1.6001 1.6001 1.6463 1.6463 1.8339 1.8339 1.8732 1.8732 2.9176 2.9176 2.9404 2.9404 7.1622 7.1622 7.1826 7.1826 8.7384 8.7384 8.7437 8.7437 10.6288 10.6288 k = 0.5000 0.5818 0.4384 ( 6640 PWs) bands (ev): -15.9007 -15.9007 -15.9006 -15.9006 -10.5769 -10.5769 -10.5760 -10.5760 -6.0487 -6.0487 -6.0486 -6.0486 -5.4209 -5.4209 -5.4207 -5.4207 -1.5148 -1.5148 -1.5112 -1.5112 0.0502 0.0502 0.0656 0.0656 0.2021 0.2021 0.2139 0.2139 0.4628 0.4628 0.5425 0.5425 0.8431 0.8431 0.9488 0.9488 1.2116 1.2116 1.3345 1.3345 1.5931 1.5931 1.6452 1.6452 1.8384 1.8384 1.8827 1.8827 2.9149 2.9149 2.9391 2.9391 7.1708 7.1708 7.1952 7.1952 8.7482 8.7482 8.7546 8.7546 10.6116 10.6116 k = 0.5000 0.5636 0.4384 ( 6642 PWs) bands (ev): -15.9012 -15.9012 -15.9011 -15.9011 -10.5794 -10.5794 -10.5784 -10.5784 -6.0478 -6.0478 -6.0477 -6.0477 -5.4181 -5.4181 -5.4178 -5.4178 -1.5123 -1.5123 -1.5082 -1.5082 0.0481 0.0481 0.0656 0.0656 0.2016 0.2016 0.2172 0.2172 0.4593 0.4593 0.5425 0.5425 0.8302 0.8302 0.9510 0.9510 1.2164 1.2164 1.3445 1.3445 1.5866 1.5866 1.6431 1.6431 1.8442 1.8442 1.8930 1.8930 2.9130 2.9130 2.9384 2.9384 7.1815 7.1815 7.2098 7.2098 8.7596 8.7596 8.7670 8.7670 10.5929 10.5929 k = 0.5000 0.5454 0.4384 ( 6644 PWs) bands (ev): -15.9017 -15.9017 -15.9017 -15.9017 -10.5822 -10.5822 -10.5811 -10.5811 -6.0467 -6.0467 -6.0466 -6.0466 -5.4149 -5.4149 -5.4146 -5.4146 -1.5088 -1.5088 -1.5041 -1.5041 0.0459 0.0459 0.0654 0.0654 0.2004 0.2004 0.2206 0.2206 0.4559 0.4559 0.5398 0.5398 0.8176 0.8176 0.9523 0.9523 1.2229 1.2229 1.3534 1.3534 1.5805 1.5805 1.6402 1.6402 1.8513 1.8513 1.9042 1.9042 2.9119 2.9119 2.9383 2.9383 7.1938 7.1938 7.2259 7.2259 8.7729 8.7729 8.7814 8.7814 10.5727 10.5727 k = 0.5000 0.5272 0.4384 ( 6646 PWs) bands (ev): -15.9023 -15.9023 -15.9023 -15.9023 -10.5853 -10.5853 -10.5841 -10.5841 -6.0456 -6.0456 -6.0455 -6.0455 -5.4114 -5.4114 -5.4111 -5.4111 -1.5043 -1.5043 -1.4992 -1.4992 0.0433 0.0433 0.0648 0.0648 0.1986 0.1986 0.2242 0.2242 0.4527 0.4527 0.5346 0.5346 0.8057 0.8057 0.9528 0.9528 1.2310 1.2310 1.3612 1.3612 1.5751 1.5751 1.6364 1.6364 1.8598 1.8598 1.9165 1.9165 2.9117 2.9117 2.9387 2.9387 7.2073 7.2073 7.2431 7.2431 8.7881 8.7881 8.7977 8.7977 10.5509 10.5509 k = 0.5000 0.5091 0.4384 ( 6642 PWs) bands (ev): -15.9030 -15.9030 -15.9029 -15.9029 -10.5886 -10.5886 -10.5873 -10.5873 -6.0444 -6.0444 -6.0442 -6.0442 -5.4077 -5.4077 -5.4074 -5.4074 -1.4988 -1.4988 -1.4932 -1.4932 0.0405 0.0405 0.0637 0.0637 0.1961 0.1961 0.2280 0.2280 0.4497 0.4497 0.5270 0.5270 0.7946 0.7946 0.9524 0.9524 1.2402 1.2402 1.3675 1.3675 1.5703 1.5703 1.6317 1.6317 1.8698 1.8698 1.9297 1.9297 2.9125 2.9125 2.9398 2.9398 7.2216 7.2216 7.2610 7.2610 8.8056 8.8056 8.8162 8.8162 10.5279 10.5279 k = 0.5000 0.4909 0.4384 ( 6646 PWs) bands (ev): -15.9037 -15.9037 -15.9036 -15.9036 -10.5922 -10.5922 -10.5908 -10.5908 -6.0430 -6.0430 -6.0429 -6.0429 -5.4037 -5.4037 -5.4033 -5.4033 -1.4925 -1.4925 -1.4864 -1.4864 0.0372 0.0372 0.0622 0.0622 0.1930 0.1930 0.2317 0.2317 0.4468 0.4468 0.5173 0.5173 0.7845 0.7845 0.9512 0.9512 1.2503 1.2503 1.3724 1.3724 1.5664 1.5664 1.6263 1.6263 1.8814 1.8814 1.9440 1.9440 2.9141 2.9141 2.9415 2.9415 7.2361 7.2361 7.2789 7.2789 8.8253 8.8253 8.8370 8.8370 10.5037 10.5037 k = 0.5000 0.4727 0.4384 ( 6640 PWs) bands (ev): -15.9044 -15.9044 -15.9043 -15.9043 -10.5959 -10.5959 -10.5945 -10.5945 -6.0417 -6.0417 -6.0415 -6.0415 -5.3994 -5.3994 -5.3990 -5.3990 -1.4853 -1.4853 -1.4788 -1.4788 0.0335 0.0335 0.0600 0.0600 0.1895 0.1895 0.2354 0.2354 0.4441 0.4441 0.5059 0.5059 0.7756 0.7756 0.9493 0.9493 1.2611 1.2611 1.3756 1.3756 1.5631 1.5631 1.6201 1.6201 1.8947 1.8947 1.9594 1.9594 2.9168 2.9168 2.9439 2.9439 7.2504 7.2504 7.2965 7.2965 8.8476 8.8476 8.8603 8.8603 10.4787 10.4787 k = 0.5000 0.4545 0.4384 ( 6646 PWs) bands (ev): -15.9052 -15.9052 -15.9051 -15.9051 -10.5999 -10.5999 -10.5984 -10.5984 -6.0402 -6.0402 -6.0401 -6.0401 -5.3949 -5.3949 -5.3945 -5.3945 -1.4772 -1.4772 -1.4705 -1.4705 0.0291 0.0291 0.0571 0.0571 0.1857 0.1857 0.2390 0.2390 0.4416 0.4416 0.4932 0.4932 0.7677 0.7677 0.9468 0.9468 1.2720 1.2720 1.3772 1.3772 1.5605 1.5605 1.6132 1.6132 1.9097 1.9097 1.9760 1.9760 2.9204 2.9204 2.9470 2.9470 7.2639 7.2639 7.3130 7.3130 8.8724 8.8724 8.8862 8.8862 10.4531 10.4531 k = 0.5000 0.4363 0.4384 ( 6636 PWs) bands (ev): -15.9060 -15.9060 -15.9059 -15.9059 -10.6040 -10.6040 -10.6024 -10.6024 -6.0387 -6.0387 -6.0385 -6.0385 -5.3902 -5.3902 -5.3898 -5.3898 -1.4685 -1.4685 -1.4614 -1.4614 0.0241 0.0241 0.0534 0.0534 0.1818 0.1818 0.2423 0.2423 0.4392 0.4392 0.4797 0.4797 0.7610 0.7610 0.9439 0.9439 1.2829 1.2829 1.3771 1.3771 1.5585 1.5585 1.6058 1.6058 1.9264 1.9264 1.9937 1.9937 2.9252 2.9252 2.9509 2.9509 7.2761 7.2761 7.3279 7.3279 8.9000 8.9000 8.9148 8.9148 10.4272 10.4272 k = 0.5000 0.4182 0.4384 ( 6636 PWs) bands (ev): -15.9069 -15.9069 -15.9067 -15.9067 -10.6082 -10.6082 -10.6066 -10.6066 -6.0372 -6.0372 -6.0370 -6.0370 -5.3854 -5.3854 -5.3850 -5.3850 -1.4591 -1.4591 -1.4517 -1.4517 0.0183 0.0183 0.0488 0.0488 0.1780 0.1780 0.2454 0.2454 0.4368 0.4368 0.4658 0.4658 0.7554 0.7554 0.9406 0.9406 1.2935 1.2935 1.3754 1.3754 1.5569 1.5569 1.5978 1.5978 1.9448 1.9448 2.0126 2.0126 2.9310 2.9310 2.9555 2.9555 7.2865 7.2865 7.3407 7.3407 8.9302 8.9302 8.9460 8.9460 10.4016 10.4016 k = 0.5000 0.4000 0.4384 ( 6630 PWs) bands (ev): -15.9077 -15.9077 -15.9076 -15.9076 -10.6125 -10.6125 -10.6109 -10.6109 -6.0356 -6.0356 -6.0355 -6.0355 -5.3805 -5.3805 -5.3800 -5.3800 -1.4491 -1.4491 -1.4414 -1.4414 0.0117 0.0117 0.0431 0.0431 0.1744 0.1744 0.2481 0.2481 0.4346 0.4346 0.4521 0.4521 0.7507 0.7507 0.9371 0.9371 1.3035 1.3035 1.3722 1.3722 1.5555 1.5555 1.5893 1.5893 1.9647 1.9647 2.0325 2.0325 2.9380 2.9380 2.9610 2.9610 7.2946 7.2946 7.3508 7.3508 8.9631 8.9631 8.9799 8.9799 10.3767 10.3767 k = 0.5000 0.3818 0.4384 ( 6634 PWs) bands (ev): -15.9086 -15.9086 -15.9084 -15.9084 -10.6169 -10.6169 -10.6152 -10.6152 -6.0341 -6.0341 -6.0339 -6.0339 -5.3754 -5.3754 -5.3750 -5.3750 -1.4386 -1.4386 -1.4307 -1.4307 0.0042 0.0042 0.0364 0.0364 0.1710 0.1710 0.2503 0.2503 0.4323 0.4323 0.4390 0.4390 0.7470 0.7470 0.9335 0.9335 1.3127 1.3127 1.3677 1.3677 1.5541 1.5541 1.5805 1.5805 1.9861 1.9861 2.0535 2.0535 2.9461 2.9461 2.9674 2.9674 7.3001 7.3001 7.3580 7.3580 8.9984 8.9984 9.0162 9.0162 10.3531 10.3531 k = 0.5000 0.3636 0.4384 ( 6622 PWs) bands (ev): -15.9095 -15.9095 -15.9093 -15.9093 -10.6213 -10.6213 -10.6196 -10.6196 -6.0325 -6.0325 -6.0323 -6.0323 -5.3703 -5.3703 -5.3699 -5.3699 -1.4277 -1.4277 -1.4196 -1.4196 -0.0041 -0.0041 0.0287 0.0287 0.1681 0.1681 0.2518 0.2518 0.4269 0.4269 0.4301 0.4301 0.7444 0.7444 0.9298 0.9298 1.3209 1.3209 1.3622 1.3622 1.5526 1.5526 1.5715 1.5715 2.0089 2.0089 2.0754 2.0754 2.9553 2.9553 2.9747 2.9747 7.3027 7.3027 7.3617 7.3617 9.0357 9.0357 9.0546 9.0546 10.3313 10.3313 k = 0.5000 0.3454 0.4384 ( 6620 PWs) bands (ev): -15.9103 -15.9103 -15.9102 -15.9102 -10.6257 -10.6257 -10.6240 -10.6240 -6.0309 -6.0309 -6.0308 -6.0308 -5.3651 -5.3651 -5.3647 -5.3647 -1.4164 -1.4164 -1.4082 -1.4082 -0.0132 -0.0132 0.0198 0.0198 0.1657 0.1657 0.2527 0.2527 0.4161 0.4161 0.4279 0.4279 0.7426 0.7426 0.9262 0.9262 1.3278 1.3278 1.3557 1.3557 1.5509 1.5509 1.5623 1.5623 2.0327 2.0327 2.0981 2.0981 2.9657 2.9657 2.9830 2.9830 7.3020 7.3020 7.3618 7.3618 9.0746 9.0746 9.0947 9.0947 10.3123 10.3123 k = 0.5000 0.3273 0.4384 ( 6620 PWs) bands (ev): -15.9112 -15.9112 -15.9111 -15.9111 -10.6301 -10.6301 -10.6284 -10.6284 -6.0294 -6.0294 -6.0292 -6.0292 -5.3600 -5.3600 -5.3595 -5.3595 -1.4049 -1.4049 -1.3966 -1.3966 -0.0230 -0.0230 0.0099 0.0099 0.1637 0.1637 0.2527 0.2527 0.4068 0.4068 0.4257 0.4257 0.7417 0.7417 0.9226 0.9226 1.3335 1.3335 1.3483 1.3483 1.5488 1.5488 1.5532 1.5532 2.0574 2.0574 2.1214 2.1214 2.9773 2.9773 2.9923 2.9923 7.2981 7.2981 7.3581 7.3581 9.1144 9.1144 9.1357 9.1357 10.2966 10.2966 k = 0.5000 0.3091 0.4384 ( 6620 PWs) bands (ev): -15.9121 -15.9121 -15.9120 -15.9120 -10.6344 -10.6344 -10.6328 -10.6328 -6.0279 -6.0279 -6.0277 -6.0277 -5.3548 -5.3548 -5.3544 -5.3544 -1.3932 -1.3932 -1.3848 -1.3848 -0.0334 -0.0334 -0.0010 -0.0010 0.1623 0.1623 0.2519 0.2519 0.3992 0.3992 0.4235 0.4235 0.7416 0.7416 0.9192 0.9192 1.3377 1.3377 1.3405 1.3405 1.5442 1.5442 1.5464 1.5464 2.0826 2.0826 2.1450 2.1450 2.9900 2.9900 3.0027 3.0027 7.2908 7.2908 7.3506 7.3506 9.1543 9.1543 9.1770 9.1770 10.2851 10.2851 k = 0.5000 0.2909 0.4384 ( 6618 PWs) bands (ev): -15.9129 -15.9129 -15.9128 -15.9128 -10.6387 -10.6387 -10.6371 -10.6371 -6.0264 -6.0264 -6.0262 -6.0262 -5.3498 -5.3498 -5.3494 -5.3494 -1.3814 -1.3814 -1.3731 -1.3731 -0.0442 -0.0442 -0.0128 -0.0128 0.1613 0.1613 0.2503 0.2503 0.3933 0.3933 0.4214 0.4214 0.7425 0.7425 0.9160 0.9160 1.3322 1.3322 1.3405 1.3405 1.5355 1.5355 1.5436 1.5436 2.1082 2.1082 2.1687 2.1687 3.0037 3.0037 3.0141 3.0141 7.2803 7.2803 7.3393 7.3393 9.1933 9.1933 9.2175 9.2175 10.2787 10.2787 k = 0.5000 0.2727 0.4384 ( 6626 PWs) bands (ev): -15.9138 -15.9138 -15.9137 -15.9137 -10.6429 -10.6429 -10.6413 -10.6413 -6.0250 -6.0250 -6.0248 -6.0248 -5.3448 -5.3448 -5.3444 -5.3444 -1.3697 -1.3697 -1.3614 -1.3614 -0.0554 -0.0554 -0.0252 -0.0252 0.1609 0.1609 0.2479 0.2479 0.3890 0.3890 0.4193 0.4193 0.7442 0.7442 0.9129 0.9129 1.3236 1.3236 1.3416 1.3416 1.5272 1.5272 1.5403 1.5403 2.1338 2.1338 2.1922 2.1922 3.0185 3.0185 3.0265 3.0265 7.2667 7.2667 7.3245 7.3245 9.2305 9.2305 9.2563 9.2563 10.2781 10.2781 k = 0.5000 0.2545 0.4384 ( 6620 PWs) bands (ev): -15.9146 -15.9146 -15.9145 -15.9145 -10.6469 -10.6469 -10.6454 -10.6454 -6.0237 -6.0237 -6.0235 -6.0235 -5.3400 -5.3400 -5.3396 -5.3396 -1.3581 -1.3581 -1.3499 -1.3499 -0.0667 -0.0667 -0.0381 -0.0381 0.1608 0.1608 0.2449 0.2449 0.3861 0.3861 0.4173 0.4173 0.7467 0.7467 0.9098 0.9098 1.3149 1.3149 1.3413 1.3413 1.5196 1.5196 1.5368 1.5368 2.1592 2.1592 2.2152 2.2152 3.0341 3.0341 3.0399 3.0399 7.2504 7.2504 7.3065 7.3065 9.2649 9.2649 9.2923 9.2923 10.2839 10.2839 k = 0.5000 0.2363 0.4384 ( 6608 PWs) bands (ev): -15.9154 -15.9154 -15.9153 -15.9153 -10.6508 -10.6508 -10.6493 -10.6493 -6.0223 -6.0223 -6.0222 -6.0222 -5.3353 -5.3353 -5.3349 -5.3349 -1.3466 -1.3466 -1.3387 -1.3387 -0.0781 -0.0781 -0.0512 -0.0512 0.1612 0.1612 0.2414 0.2414 0.3845 0.3845 0.4154 0.4154 0.7501 0.7501 0.9069 0.9069 1.3063 1.3063 1.3395 1.3395 1.5127 1.5127 1.5330 1.5330 2.1840 2.1840 2.2375 2.2375 3.0506 3.0506 3.0543 3.0543 7.2317 7.2317 7.2857 7.2857 9.2957 9.2957 9.3244 9.3244 10.2951 10.2951 k = 0.5000 0.2182 0.4384 ( 6610 PWs) bands (ev): -15.9161 -15.9161 -15.9160 -15.9160 -10.6544 -10.6544 -10.6531 -10.6531 -6.0211 -6.0211 -6.0209 -6.0209 -5.3309 -5.3309 -5.3305 -5.3305 -1.3355 -1.3355 -1.3278 -1.3278 -0.0893 -0.0893 -0.0645 -0.0645 0.1619 0.1619 0.2376 0.2376 0.3839 0.3839 0.4136 0.4136 0.7541 0.7541 0.9039 0.9039 1.2978 1.2978 1.3362 1.3362 1.5065 1.5065 1.5289 1.5289 2.2080 2.2080 2.2587 2.2587 3.0676 3.0676 3.0695 3.0695 7.2110 7.2110 7.2625 7.2625 9.3223 9.3223 9.3520 9.3520 10.3082 10.3082 k = 0.5000 0.2000 0.4384 ( 6608 PWs) bands (ev): -15.9168 -15.9168 -15.9167 -15.9167 -10.6579 -10.6579 -10.6566 -10.6566 -6.0200 -6.0200 -6.0198 -6.0198 -5.3266 -5.3266 -5.3263 -5.3263 -1.3249 -1.3249 -1.3174 -1.3174 -0.1002 -0.1002 -0.0776 -0.0776 0.1629 0.1629 0.2335 0.2335 0.3841 0.3841 0.4119 0.4119 0.7590 0.7590 0.9008 0.9008 1.2897 1.2897 1.3317 1.3317 1.5012 1.5012 1.5248 1.5248 2.2310 2.2310 2.2786 2.2786 3.0849 3.0849 3.0852 3.0852 7.1890 7.1890 7.2375 7.2375 9.3444 9.3444 9.3747 9.3747 10.3277 10.3277 k = 0.5000 0.1818 0.4384 ( 6616 PWs) bands (ev): -15.9175 -15.9175 -15.9174 -15.9174 -10.6611 -10.6611 -10.6600 -10.6600 -6.0189 -6.0189 -6.0187 -6.0187 -5.3226 -5.3226 -5.3223 -5.3223 -1.3147 -1.3147 -1.3076 -1.3076 -0.1107 -0.1107 -0.0903 -0.0903 0.1642 0.1642 0.2292 0.2292 0.3848 0.3848 0.4104 0.4104 0.7644 0.7644 0.8975 0.8975 1.2820 1.2820 1.3260 1.3260 1.4966 1.4966 1.5205 1.5205 2.2527 2.2527 2.2970 2.2970 3.1013 3.1013 3.1024 3.1024 7.1661 7.1661 7.2114 7.2114 9.3621 9.3621 9.3923 9.3923 10.3526 10.3526 k = 0.5000 0.1636 0.4384 ( 6612 PWs) bands (ev): -15.9181 -15.9181 -15.9180 -15.9180 -10.6641 -10.6641 -10.6630 -10.6630 -6.0179 -6.0179 -6.0178 -6.0178 -5.3190 -5.3190 -5.3187 -5.3187 -1.3051 -1.3051 -1.2985 -1.2985 -0.1205 -0.1205 -0.1025 -0.1025 0.1658 0.1658 0.2249 0.2249 0.3860 0.3860 0.4089 0.4089 0.7706 0.7706 0.8940 0.8940 1.2751 1.2751 1.3195 1.3195 1.4929 1.4929 1.5162 1.5162 2.2730 2.2730 2.3138 2.3138 3.1175 3.1175 3.1197 3.1197 7.1430 7.1430 7.1847 7.1847 9.3759 9.3759 9.4052 9.4052 10.3816 10.3816 k = 0.5000 0.1454 0.4384 ( 6612 PWs) bands (ev): -15.9187 -15.9187 -15.9186 -15.9186 -10.6668 -10.6668 -10.6659 -10.6659 -6.0170 -6.0170 -6.0169 -6.0169 -5.3156 -5.3156 -5.3153 -5.3153 -1.2961 -1.2961 -1.2900 -1.2900 -0.1297 -0.1297 -0.1139 -0.1139 0.1676 0.1676 0.2206 0.2206 0.3874 0.3874 0.4077 0.4077 0.7773 0.7773 0.8902 0.8902 1.2689 1.2689 1.3124 1.3124 1.4900 1.4900 1.5120 1.5120 2.2916 2.2916 2.3287 2.3287 3.1335 3.1335 3.1364 3.1364 7.1204 7.1204 7.1581 7.1581 9.3862 9.3862 9.4139 9.4139 10.4130 10.4130 k = 0.5000 0.1273 0.4384 ( 6612 PWs) bands (ev): -15.9192 -15.9192 -15.9191 -15.9191 -10.6693 -10.6693 -10.6684 -10.6684 -6.0162 -6.0162 -6.0161 -6.0161 -5.3125 -5.3125 -5.3123 -5.3123 -1.2879 -1.2879 -1.2824 -1.2824 -0.1380 -0.1380 -0.1245 -0.1245 0.1696 0.1696 0.2164 0.2164 0.3890 0.3890 0.4065 0.4065 0.7844 0.7844 0.8858 0.8858 1.2637 1.2637 1.3049 1.3049 1.4877 1.4877 1.5079 1.5079 2.3087 2.3087 2.3416 2.3416 3.1490 3.1490 3.1523 3.1523 7.0988 7.0988 7.1324 7.1324 9.3937 9.3937 9.4193 9.4193 10.4447 10.4447 k = 0.5000 0.1091 0.4384 ( 6614 PWs) bands (ev): -15.9196 -15.9196 -15.9195 -15.9195 -10.6714 -10.6714 -10.6706 -10.6706 -6.0155 -6.0155 -6.0154 -6.0154 -5.3098 -5.3098 -5.3096 -5.3096 -1.2806 -1.2806 -1.2758 -1.2758 -0.1454 -0.1454 -0.1340 -0.1340 0.1719 0.1719 0.2122 0.2122 0.3907 0.3907 0.4054 0.4054 0.7920 0.7920 0.8810 0.8810 1.2595 1.2595 1.2972 1.2972 1.4860 1.4860 1.5040 1.5040 2.3239 2.3239 2.3526 2.3526 3.1635 3.1635 3.1669 3.1669 7.0789 7.0789 7.1081 7.1081 9.3992 9.3992 9.4220 9.4220 10.4748 10.4748 k = 0.5000 0.0909 0.4384 ( 6620 PWs) bands (ev): -15.9200 -15.9200 -15.9199 -15.9199 -10.6732 -10.6732 -10.6726 -10.6726 -6.0149 -6.0149 -6.0148 -6.0148 -5.3075 -5.3075 -5.3074 -5.3074 -1.2742 -1.2742 -1.2701 -1.2701 -0.1517 -0.1517 -0.1424 -0.1424 0.1744 0.1744 0.2081 0.2081 0.3923 0.3923 0.4044 0.4044 0.8000 0.8000 0.8757 0.8757 1.2565 1.2565 1.2896 1.2896 1.4849 1.4849 1.5004 1.5004 2.3372 2.3372 2.3614 2.3614 3.1766 3.1766 3.1799 3.1799 7.0613 7.0613 7.0859 7.0859 9.4031 9.4031 9.4227 9.4227 10.5018 10.5018 k = 0.5000 0.0727 0.4384 ( 6614 PWs) bands (ev): -15.9203 -15.9203 -15.9202 -15.9202 -10.6747 -10.6747 -10.6742 -10.6742 -6.0144 -6.0144 -6.0144 -6.0144 -5.3056 -5.3056 -5.3055 -5.3055 -1.2688 -1.2688 -1.2654 -1.2654 -0.1568 -0.1568 -0.1495 -0.1495 0.1770 0.1770 0.2041 0.2041 0.3939 0.3939 0.4034 0.4034 0.8082 0.8082 0.8698 0.8698 1.2547 1.2547 1.2824 1.2824 1.4844 1.4844 1.4970 1.4970 2.3486 2.3486 2.3682 2.3682 3.1881 3.1881 3.1911 3.1911 7.0466 7.0466 7.0665 7.0665 9.4061 9.4061 9.4221 9.4221 10.5244 10.5244 k = 0.5000 0.0545 0.4384 ( 6608 PWs) bands (ev): -15.9205 -15.9205 -15.9205 -15.9205 -10.6759 -10.6759 -10.6755 -10.6755 -6.0140 -6.0140 -6.0140 -6.0140 -5.3041 -5.3041 -5.3040 -5.3040 -1.2644 -1.2644 -1.2618 -1.2618 -0.1607 -0.1607 -0.1553 -0.1553 0.1799 0.1799 0.2002 0.2002 0.3954 0.3954 0.4025 0.4025 0.8165 0.8165 0.8634 0.8634 1.2542 1.2542 1.2756 1.2756 1.4844 1.4844 1.4940 1.4940 2.3581 2.3581 2.3730 2.3730 3.1976 3.1976 3.1999 3.1999 7.0352 7.0352 7.0502 7.0502 9.4084 9.4084 9.4207 9.4207 10.5423 10.5423 k = 0.5000 0.0364 0.4384 ( 6602 PWs) bands (ev): -15.9207 -15.9207 -15.9207 -15.9207 -10.6767 -10.6767 -10.6764 -10.6764 -6.0137 -6.0137 -6.0137 -6.0137 -5.3030 -5.3030 -5.3029 -5.3029 -1.2611 -1.2611 -1.2593 -1.2593 -0.1633 -0.1633 -0.1598 -0.1598 0.1829 0.1829 0.1965 0.1965 0.3968 0.3968 0.4015 0.4015 0.8249 0.8249 0.8565 0.8565 1.2550 1.2550 1.2696 1.2696 1.4849 1.4849 1.4914 1.4914 2.3657 2.3657 2.3756 2.3756 3.2047 3.2047 3.2063 3.2063 7.0275 7.0275 7.0375 7.0375 9.4105 9.4105 9.4188 9.4188 10.5556 10.5556 k = 0.5000 0.0182 0.4384 ( 6612 PWs) bands (ev): -15.9208 -15.9208 -15.9208 -15.9208 -10.6771 -10.6771 -10.6770 -10.6770 -6.0136 -6.0136 -6.0136 -6.0136 -5.3024 -5.3024 -5.3023 -5.3023 -1.2589 -1.2589 -1.2580 -1.2580 -0.1646 -0.1646 -0.1628 -0.1628 0.1860 0.1860 0.1928 0.1928 0.3981 0.3981 0.4004 0.4004 0.8332 0.8332 0.8490 0.8490 1.2569 1.2569 1.2643 1.2643 1.4859 1.4859 1.4891 1.4891 2.3711 2.3711 2.3761 2.3761 3.2092 3.2092 3.2101 3.2101 7.0237 7.0237 7.0288 7.0288 9.4125 9.4125 9.4167 9.4167 10.5648 10.5648 k = 0.5000-0.0000 0.4384 ( 6608 PWs) bands (ev): -15.9208 -15.9208 -15.9208 -15.9208 -10.6772 -10.6772 -10.6772 -10.6772 -6.0135 -6.0135 -6.0135 -6.0135 -5.3021 -5.3021 -5.3021 -5.3021 -1.2578 -1.2578 -1.2578 -1.2578 -0.1644 -0.1644 -0.1644 -0.1644 0.1894 0.1894 0.1894 0.1894 0.3993 0.3993 0.3993 0.3993 0.8413 0.8413 0.8413 0.8413 1.2601 1.2601 1.2601 1.2601 1.4873 1.4873 1.4873 1.4873 2.3747 2.3747 2.3747 2.3747 3.2110 3.2110 3.2110 3.2110 7.0242 7.0242 7.0242 7.0242 9.4146 9.4146 9.4146 9.4146 10.5702 10.5702 k = 0.5000-0.0000 0.4384 ( 6608 PWs) bands (ev): -15.9208 -15.9208 -15.9208 -15.9208 -10.6772 -10.6772 -10.6772 -10.6772 -6.0135 -6.0135 -6.0135 -6.0135 -5.3021 -5.3021 -5.3021 -5.3021 -1.2578 -1.2578 -1.2578 -1.2578 -0.1644 -0.1644 -0.1644 -0.1644 0.1894 0.1894 0.1894 0.1894 0.3993 0.3993 0.3993 0.3993 0.8413 0.8413 0.8413 0.8413 1.2601 1.2601 1.2601 1.2601 1.4873 1.4873 1.4873 1.4873 2.3747 2.3747 2.3747 2.3747 3.2110 3.2110 3.2110 3.2110 7.0242 7.0242 7.0242 7.0242 9.4146 9.4146 9.4146 9.4146 10.5702 10.5702 k = 0.5000-0.0000 0.4201 ( 6608 PWs) bands (ev): -15.9208 -15.9208 -15.9208 -15.9208 -10.6772 -10.6772 -10.6772 -10.6772 -6.0135 -6.0135 -6.0135 -6.0135 -5.3022 -5.3022 -5.3022 -5.3022 -1.2589 -1.2589 -1.2582 -1.2582 -0.1644 -0.1644 -0.1628 -0.1628 0.1885 0.1885 0.1903 0.1903 0.3981 0.3981 0.4011 0.4011 0.8406 0.8406 0.8417 0.8417 1.2594 1.2594 1.2617 1.2617 1.4877 1.4877 1.4879 1.4879 2.3724 2.3724 2.3754 2.3754 3.2103 3.2103 3.2117 3.2117 7.0218 7.0218 7.0228 7.0228 9.4146 9.4146 9.4155 9.4155 10.5635 10.5636 k = 0.5000-0.0000 0.4019 ( 6614 PWs) bands (ev): -15.9208 -15.9208 -15.9208 -15.9208 -10.6771 -10.6771 -10.6771 -10.6771 -6.0136 -6.0136 -6.0136 -6.0136 -5.3025 -5.3025 -5.3025 -5.3025 -1.2614 -1.2614 -1.2601 -1.2601 -0.1627 -0.1627 -0.1595 -0.1595 0.1877 0.1877 0.1912 0.1912 0.3976 0.3976 0.4034 0.4034 0.8397 0.8397 0.8420 0.8420 1.2596 1.2596 1.2641 1.2641 1.4890 1.4890 1.4894 1.4894 2.3686 2.3686 2.3745 2.3745 3.2095 3.2095 3.2123 3.2123 7.0158 7.0158 7.0178 7.0178 9.4155 9.4155 9.4173 9.4173 10.5502 10.5502 k = 0.5000-0.0000 0.3836 ( 6612 PWs) bands (ev): -15.9209 -15.9209 -15.9209 -15.9209 -10.6769 -10.6769 -10.6768 -10.6768 -6.0137 -6.0137 -6.0137 -6.0137 -5.3030 -5.3030 -5.3030 -5.3030 -1.2652 -1.2652 -1.2633 -1.2633 -0.1594 -0.1594 -0.1546 -0.1546 0.1869 0.1869 0.1921 0.1921 0.3976 0.3976 0.4064 0.4064 0.8386 0.8386 0.8420 0.8420 1.2607 1.2607 1.2673 1.2673 1.4913 1.4913 1.4919 1.4919 2.3633 2.3633 2.3720 2.3720 3.2087 3.2087 3.2129 3.2129 7.0062 7.0062 7.0091 7.0091 9.4172 9.4172 9.4198 9.4198 10.5320 10.5320 k = 0.5000-0.0000 0.3653 ( 6608 PWs) bands (ev): -15.9209 -15.9209 -15.9209 -15.9209 -10.6766 -10.6766 -10.6766 -10.6766 -6.0138 -6.0138 -6.0138 -6.0138 -5.3037 -5.3037 -5.3036 -5.3036 -1.2702 -1.2702 -1.2678 -1.2678 -0.1546 -0.1546 -0.1483 -0.1483 0.1862 0.1862 0.1930 0.1930 0.3983 0.3983 0.4097 0.4097 0.8374 0.8374 0.8418 0.8418 1.2627 1.2627 1.2711 1.2711 1.4945 1.4945 1.4955 1.4955 2.3566 2.3566 2.3681 2.3681 3.2079 3.2079 3.2134 3.2134 6.9933 6.9933 6.9971 6.9971 9.4195 9.4195 9.4228 9.4228 10.5108 10.5108 k = 0.5000-0.0000 0.3471 ( 6614 PWs) bands (ev): -15.9210 -15.9210 -15.9210 -15.9210 -10.6762 -10.6762 -10.6762 -10.6762 -6.0139 -6.0139 -6.0139 -6.0139 -5.3045 -5.3045 -5.3045 -5.3045 -1.2764 -1.2764 -1.2735 -1.2735 -0.1483 -0.1483 -0.1406 -0.1406 0.1856 0.1856 0.1938 0.1938 0.3995 0.3995 0.4135 0.4135 0.8360 0.8360 0.8413 0.8413 1.2653 1.2653 1.2755 1.2755 1.4988 1.4988 1.5002 1.5002 2.3486 2.3486 2.3626 2.3626 3.2071 3.2071 3.2138 3.2138 6.9774 6.9774 6.9820 6.9820 9.4221 9.4221 9.4260 9.4260 10.4881 10.4881 k = 0.5000-0.0000 0.3288 ( 6618 PWs) bands (ev): -15.9210 -15.9210 -15.9210 -15.9210 -10.6758 -10.6758 -10.6758 -10.6758 -6.0141 -6.0141 -6.0141 -6.0141 -5.3055 -5.3055 -5.3055 -5.3055 -1.2836 -1.2836 -1.2802 -1.2802 -0.1408 -0.1408 -0.1319 -0.1319 0.1851 0.1851 0.1945 0.1945 0.4013 0.4013 0.4177 0.4177 0.8345 0.8345 0.8407 0.8407 1.2687 1.2687 1.2803 1.2803 1.5041 1.5041 1.5060 1.5060 2.3392 2.3392 2.3558 2.3558 3.2062 3.2062 3.2140 3.2140 6.9588 6.9588 6.9642 6.9642 9.4248 9.4248 9.4291 9.4291 10.4654 10.4654 k = 0.5000-0.0000 0.3105 ( 6626 PWs) bands (ev): -15.9211 -15.9211 -15.9211 -15.9211 -10.6753 -10.6753 -10.6753 -10.6753 -6.0142 -6.0142 -6.0142 -6.0142 -5.3067 -5.3067 -5.3066 -5.3066 -1.2915 -1.2915 -1.2878 -1.2878 -0.1322 -0.1322 -0.1221 -0.1221 0.1846 0.1846 0.1951 0.1951 0.4036 0.4036 0.4222 0.4222 0.8328 0.8328 0.8398 0.8398 1.2726 1.2726 1.2853 1.2853 1.5106 1.5106 1.5131 1.5131 2.3288 2.3288 2.3477 2.3477 3.2053 3.2053 3.2140 3.2140 6.9380 6.9380 6.9439 6.9439 9.4271 9.4271 9.4318 9.4318 10.4435 10.4435 k = 0.5000-0.0000 0.2923 ( 6626 PWs) bands (ev): -15.9212 -15.9212 -15.9211 -15.9211 -10.6748 -10.6748 -10.6748 -10.6748 -6.0144 -6.0144 -6.0144 -6.0144 -5.3079 -5.3079 -5.3079 -5.3079 -1.3001 -1.3001 -1.2962 -1.2962 -0.1225 -0.1225 -0.1115 -0.1115 0.1841 0.1841 0.1956 0.1956 0.4064 0.4064 0.4269 0.4269 0.8311 0.8311 0.8387 0.8387 1.2769 1.2769 1.2904 1.2904 1.5181 1.5181 1.5214 1.5214 2.3173 2.3173 2.3383 2.3383 3.2043 3.2043 3.2139 3.2139 6.9153 6.9153 6.9217 6.9217 9.4288 9.4288 9.4338 9.4338 10.4232 10.4232 k = 0.5000-0.0000 0.2740 ( 6624 PWs) bands (ev): -15.9212 -15.9212 -15.9212 -15.9212 -10.6742 -10.6742 -10.6742 -10.6742 -6.0147 -6.0147 -6.0147 -6.0147 -5.3093 -5.3093 -5.3092 -5.3092 -1.3092 -1.3092 -1.3050 -1.3050 -0.1121 -0.1121 -0.1004 -0.1004 0.1837 0.1837 0.1960 0.1960 0.4095 0.4095 0.4317 0.4317 0.8294 0.8294 0.8374 0.8374 1.2815 1.2815 1.2955 1.2955 1.5268 1.5268 1.5310 1.5310 2.3049 2.3049 2.3278 2.3278 3.2033 3.2033 3.2135 3.2135 6.8913 6.8913 6.8979 6.8979 9.4297 9.4297 9.4348 9.4348 10.4052 10.4052 k = 0.5000-0.0000 0.2557 ( 6622 PWs) bands (ev): -15.9213 -15.9213 -15.9213 -15.9213 -10.6736 -10.6736 -10.6736 -10.6736 -6.0149 -6.0149 -6.0149 -6.0149 -5.3107 -5.3107 -5.3106 -5.3106 -1.3185 -1.3185 -1.3142 -1.3142 -0.1011 -0.1011 -0.0888 -0.0888 0.1834 0.1834 0.1962 0.1962 0.4131 0.4131 0.4366 0.4366 0.8276 0.8276 0.8360 0.8360 1.2862 1.2862 1.3004 1.3004 1.5366 1.5366 1.5419 1.5419 2.2919 2.2919 2.3163 2.3163 3.2022 3.2022 3.2129 3.2129 6.8662 6.8662 6.8731 6.8731 9.4296 9.4296 9.4345 9.4345 10.3897 10.3897 k = 0.5000-0.0000 0.2375 ( 6620 PWs) bands (ev): -15.9214 -15.9214 -15.9214 -15.9214 -10.6730 -10.6730 -10.6729 -10.6729 -6.0151 -6.0151 -6.0151 -6.0151 -5.3121 -5.3121 -5.3121 -5.3121 -1.3279 -1.3279 -1.3237 -1.3237 -0.0897 -0.0897 -0.0770 -0.0770 0.1830 0.1830 0.1962 0.1962 0.4170 0.4170 0.4414 0.4414 0.8257 0.8257 0.8344 0.8344 1.2909 1.2909 1.3050 1.3050 1.5476 1.5476 1.5538 1.5538 2.2782 2.2782 2.3040 2.3040 3.2010 3.2010 3.2121 3.2121 6.8407 6.8407 6.8477 6.8477 9.4282 9.4282 9.4330 9.4330 10.3769 10.3769 k = 0.5000-0.0000 0.2192 ( 6626 PWs) bands (ev): -15.9215 -15.9215 -15.9215 -15.9215 -10.6723 -10.6723 -10.6723 -10.6723 -6.0154 -6.0154 -6.0154 -6.0154 -5.3137 -5.3137 -5.3136 -5.3136 -1.3373 -1.3373 -1.3331 -1.3331 -0.0781 -0.0781 -0.0653 -0.0653 0.1827 0.1827 0.1961 0.1961 0.4210 0.4210 0.4461 0.4461 0.8239 0.8239 0.8326 0.8326 1.2955 1.2955 1.3092 1.3092 1.5595 1.5595 1.5669 1.5669 2.2642 2.2642 2.2910 2.2910 3.1998 3.1998 3.2110 3.2110 6.8152 6.8152 6.8221 6.8221 9.4256 9.4256 9.4302 9.4302 10.3669 10.3669 k = 0.5000-0.0000 0.2009 ( 6624 PWs) bands (ev): -15.9215 -15.9215 -15.9215 -15.9215 -10.6717 -10.6717 -10.6716 -10.6716 -6.0156 -6.0156 -6.0156 -6.0156 -5.3152 -5.3152 -5.3151 -5.3151 -1.3465 -1.3465 -1.3424 -1.3424 -0.0665 -0.0665 -0.0537 -0.0537 0.1825 0.1825 0.1958 0.1958 0.4253 0.4253 0.4506 0.4506 0.8221 0.8221 0.8308 0.8308 1.2999 1.2999 1.3130 1.3130 1.5724 1.5724 1.5807 1.5807 2.2500 2.2500 2.2773 2.2773 3.1986 3.1986 3.2098 3.2098 6.7900 6.7900 6.7967 6.7967 9.4220 9.4220 9.4262 9.4262 10.3595 10.3595 k = 0.5000-0.0000 0.1827 ( 6624 PWs) bands (ev): -15.9216 -15.9216 -15.9216 -15.9216 -10.6711 -10.6711 -10.6710 -10.6710 -6.0158 -6.0158 -6.0158 -6.0158 -5.3166 -5.3166 -5.3166 -5.3166 -1.3553 -1.3553 -1.3514 -1.3514 -0.0549 -0.0549 -0.0424 -0.0424 0.1822 0.1822 0.1952 0.1952 0.4296 0.4296 0.4547 0.4547 0.8204 0.8204 0.8289 0.8289 1.3041 1.3041 1.3163 1.3163 1.5859 1.5859 1.5952 1.5952 2.2358 2.2358 2.2634 2.2634 3.1973 3.1973 3.2083 3.2083 6.7656 6.7656 6.7721 6.7721 9.4173 9.4173 9.4212 9.4212 10.3545 10.3545 k = 0.5000-0.0000 0.1644 ( 6622 PWs) bands (ev): -15.9217 -15.9217 -15.9217 -15.9217 -10.6705 -10.6705 -10.6704 -10.6704 -6.0161 -6.0161 -6.0161 -6.0161 -5.3180 -5.3180 -5.3180 -5.3180 -1.3637 -1.3637 -1.3600 -1.3600 -0.0437 -0.0437 -0.0317 -0.0317 0.1820 0.1820 0.1946 0.1946 0.4341 0.4341 0.4585 0.4585 0.8187 0.8187 0.8269 0.8269 1.3079 1.3079 1.3192 1.3192 1.6000 1.6000 1.6101 1.6101 2.2218 2.2218 2.2491 2.2491 3.1962 3.1962 3.2067 3.2067 6.7423 6.7423 6.7485 6.7485 9.4119 9.4119 9.4154 9.4154 10.3515 10.3515 k = 0.5000-0.0000 0.1461 ( 6632 PWs) bands (ev): -15.9218 -15.9218 -15.9218 -15.9218 -10.6699 -10.6699 -10.6698 -10.6698 -6.0163 -6.0163 -6.0163 -6.0163 -5.3194 -5.3194 -5.3193 -5.3193 -1.3714 -1.3714 -1.3680 -1.3680 -0.0330 -0.0330 -0.0217 -0.0217 0.1818 0.1818 0.1937 0.1937 0.4384 0.4384 0.4617 0.4617 0.8172 0.8172 0.8249 0.8249 1.3114 1.3114 1.3216 1.3216 1.6143 1.6143 1.6248 1.6248 2.2083 2.2083 2.2349 2.2349 3.1950 3.1950 3.2049 3.2049 6.7206 6.7206 6.7263 6.7263 9.4060 9.4060 9.4091 9.4091 10.3502 10.3502 k = 0.5000-0.0000 0.1279 ( 6630 PWs) bands (ev): -15.9218 -15.9218 -15.9218 -15.9218 -10.6693 -10.6693 -10.6693 -10.6693 -6.0165 -6.0165 -6.0165 -6.0165 -5.3206 -5.3206 -5.3206 -5.3206 -1.3784 -1.3784 -1.3754 -1.3754 -0.0230 -0.0230 -0.0126 -0.0126 0.1817 0.1817 0.1926 0.1926 0.4428 0.4428 0.4644 0.4644 0.8158 0.8158 0.8230 0.8230 1.3146 1.3146 1.3236 1.3236 1.6285 1.6285 1.6392 1.6392 2.1956 2.1956 2.2209 2.2209 3.1940 3.1940 3.2031 3.2031 6.7007 6.7007 6.7059 6.7059 9.4000 9.4000 9.4027 9.4027 10.3502 10.3502 k = 0.5000-0.0000 0.1096 ( 6626 PWs) bands (ev): -15.9219 -15.9219 -15.9219 -15.9219 -10.6689 -10.6689 -10.6688 -10.6688 -6.0167 -6.0167 -6.0167 -6.0167 -5.3217 -5.3217 -5.3217 -5.3217 -1.3847 -1.3847 -1.3820 -1.3820 -0.0137 -0.0137 -0.0045 -0.0045 0.1816 0.1816 0.1915 0.1915 0.4470 0.4470 0.4666 0.4666 0.8147 0.8147 0.8211 0.8211 1.3174 1.3174 1.3252 1.3252 1.6423 1.6423 1.6528 1.6528 2.1840 2.1840 2.2074 2.2074 3.1931 3.1931 3.2013 3.2013 6.6829 6.6829 6.6875 6.6875 9.3941 9.3941 9.3963 9.3963 10.3512 10.3512 k = 0.5000-0.0000 0.0913 ( 6630 PWs) bands (ev): -15.9219 -15.9219 -15.9219 -15.9219 -10.6684 -10.6684 -10.6684 -10.6684 -6.0169 -6.0169 -6.0169 -6.0169 -5.3227 -5.3227 -5.3227 -5.3227 -1.3900 -1.3900 -1.3877 -1.3877 -0.0054 -0.0054 0.0026 0.0026 0.1817 0.1817 0.1902 0.1902 0.4511 0.4511 0.4682 0.4682 0.8138 0.8138 0.8193 0.8193 1.3198 1.3198 1.3264 1.3264 1.6552 1.6552 1.6651 1.6651 2.1738 2.1738 2.1947 2.1947 3.1924 3.1924 3.1995 3.1995 6.6675 6.6675 6.6714 6.6714 9.3886 9.3886 9.3904 9.3904 10.3527 10.3527 k = 0.5000-0.0000 0.0731 ( 6628 PWs) bands (ev): -15.9220 -15.9220 -15.9220 -15.9220 -10.6681 -10.6681 -10.6680 -10.6680 -6.0170 -6.0170 -6.0170 -6.0170 -5.3235 -5.3235 -5.3235 -5.3235 -1.3945 -1.3945 -1.3926 -1.3926 0.0018 0.0018 0.0083 0.0083 0.1818 0.1818 0.1889 0.1889 0.4549 0.4549 0.4691 0.4691 0.8131 0.8131 0.8177 0.8177 1.3219 1.3219 1.3272 1.3272 1.6670 1.6670 1.6757 1.6757 2.1654 2.1654 2.1831 2.1831 3.1919 3.1919 3.1978 3.1978 6.6547 6.6547 6.6579 6.6579 9.3837 9.3837 9.3852 9.3852 10.3544 10.3544 k = 0.5000-0.0000 0.0548 ( 6624 PWs) bands (ev): -15.9220 -15.9220 -15.9220 -15.9220 -10.6678 -10.6678 -10.6678 -10.6678 -6.0171 -6.0171 -6.0171 -6.0171 -5.3242 -5.3242 -5.3242 -5.3242 -1.3979 -1.3979 -1.3965 -1.3965 0.0077 0.0077 0.0127 0.0127 0.1821 0.1821 0.1876 0.1876 0.4584 0.4584 0.4693 0.4693 0.8127 0.8127 0.8162 0.8162 1.3236 1.3236 1.3276 1.3276 1.6770 1.6770 1.6842 1.6842 2.1590 2.1590 2.1730 2.1730 3.1917 3.1917 3.1962 3.1962 6.6447 6.6447 6.6471 6.6471 9.3797 9.3797 9.3808 9.3808 10.3560 10.3560 k = 0.5000-0.0000 0.0365 ( 6620 PWs) bands (ev): -15.9221 -15.9221 -15.9221 -15.9221 -10.6676 -10.6676 -10.6675 -10.6675 -6.0172 -6.0172 -6.0172 -6.0172 -5.3247 -5.3247 -5.3246 -5.3246 -1.4003 -1.4003 -1.3994 -1.3994 0.0124 0.0124 0.0157 0.0157 0.1826 0.1826 0.1864 0.1864 0.4615 0.4615 0.4689 0.4689 0.8126 0.8126 0.8150 0.8150 1.3251 1.3251 1.3277 1.3277 1.6850 1.6850 1.6901 1.6901 2.1549 2.1549 2.1646 2.1646 3.1918 3.1918 3.1948 3.1948 6.6375 6.6375 6.6391 6.6391 9.3768 9.3768 9.3776 9.3776 10.3574 10.3574 k = 0.5000-0.0000 0.0183 ( 6620 PWs) bands (ev): -15.9221 -15.9221 -15.9221 -15.9221 -10.6674 -10.6674 -10.6674 -10.6674 -6.0173 -6.0173 -6.0173 -6.0173 -5.3249 -5.3249 -5.3249 -5.3249 -1.4017 -1.4017 -1.4012 -1.4012 0.0155 0.0155 0.0172 0.0172 0.1833 0.1833 0.1852 0.1852 0.4641 0.4641 0.4679 0.4679 0.8128 0.8128 0.8140 0.8140 1.3262 1.3262 1.3276 1.3276 1.6906 1.6906 1.6932 1.6932 2.1535 2.1535 2.1584 2.1584 3.1921 3.1921 3.1936 3.1936 6.6334 6.6334 6.6342 6.6342 9.3751 9.3751 9.3755 9.3755 10.3583 10.3585 k = 0.5000-0.0000-0.0000 ( 6620 PWs) bands (ev): -15.9221 -15.9221 -15.9221 -15.9221 -10.6674 -10.6674 -10.6674 -10.6674 -6.0173 -6.0173 -6.0173 -6.0173 -5.3250 -5.3250 -5.3250 -5.3250 -1.4020 -1.4020 -1.4020 -1.4020 0.0171 0.0171 0.0171 0.0171 0.1842 0.1842 0.1842 0.1842 0.4663 0.4663 0.4663 0.4663 0.8132 0.8132 0.8132 0.8132 1.3270 1.3270 1.3270 1.3270 1.6933 1.6933 1.6933 1.6933 2.1547 2.1547 2.1547 2.1547 3.1927 3.1927 3.1927 3.1927 6.6322 6.6322 6.6322 6.6322 9.3746 9.3746 9.3746 9.3746 10.3587 10.3587 k = 0.0000 0.0000 0.4384 ( 6674 PWs) bands (ev): -15.9596 -15.9596 -15.8868 -15.8868 -10.6977 -10.6977 -10.6216 -10.6216 -6.1585 -6.1585 -5.9735 -5.9735 -5.3126 -5.3126 -5.2875 -5.2875 -1.3008 -1.3008 -1.2019 -1.2019 -0.2155 -0.2155 -0.1187 -0.1187 0.2299 0.2299 0.2363 0.2363 0.3960 0.3960 0.4601 0.4601 0.7924 0.7924 1.1156 1.1156 1.1342 1.1342 1.3417 1.3417 1.4859 1.4859 1.7221 1.7221 2.2562 2.2562 2.4347 2.4347 3.0257 3.0257 3.0926 3.0926 6.8563 6.8563 7.7353 7.7353 8.4209 8.4209 8.5080 8.5080 9.1188 9.1188 k = 0.0185-0.0000 0.4384 ( 6672 PWs) bands (ev): -15.9595 -15.9595 -15.8868 -15.8868 -10.6977 -10.6977 -10.6217 -10.6217 -6.1582 -6.1582 -5.9735 -5.9735 -5.3126 -5.3126 -5.2875 -5.2875 -1.3007 -1.3007 -1.2020 -1.2020 -0.2155 -0.2155 -0.1188 -0.1188 0.2204 0.2204 0.2459 0.2459 0.3965 0.3965 0.4603 0.4603 0.7917 0.7917 1.1098 1.1098 1.1397 1.1397 1.3419 1.3419 1.4840 1.4840 1.7212 1.7212 2.2563 2.2563 2.4355 2.4355 3.0269 3.0269 3.0930 3.0930 6.8567 6.8567 7.7308 7.7308 8.4021 8.4021 8.5353 8.5353 9.1211 9.1211 k = 0.0370-0.0000 0.4384 ( 6670 PWs) bands (ev): -15.9593 -15.9593 -15.8870 -15.8870 -10.6977 -10.6977 -10.6221 -10.6221 -6.1572 -6.1572 -5.9735 -5.9735 -5.3126 -5.3126 -5.2876 -5.2876 -1.3005 -1.3005 -1.2024 -1.2024 -0.2155 -0.2155 -0.1191 -0.1191 0.2085 0.2085 0.2580 0.2580 0.3976 0.3976 0.4611 0.4611 0.7896 0.7896 1.0991 1.0991 1.1496 1.1496 1.3424 1.3424 1.4787 1.4787 1.7186 1.7186 2.2567 2.2567 2.4377 2.4377 3.0304 3.0304 3.0942 3.0942 6.8578 6.8578 7.7174 7.7174 8.3729 8.3729 8.5901 8.5901 9.1280 9.1280 k = 0.0556-0.0000 0.4384 ( 6672 PWs) bands (ev): -15.9590 -15.9590 -15.8873 -15.8873 -10.6977 -10.6977 -10.6227 -10.6227 -6.1555 -6.1555 -5.9735 -5.9735 -5.3126 -5.3126 -5.2876 -5.2876 -1.3001 -1.3001 -1.2030 -1.2030 -0.2155 -0.2155 -0.1197 -0.1197 0.1968 0.1968 0.2699 0.2699 0.3994 0.3994 0.4625 0.4625 0.7863 0.7863 1.0870 1.0870 1.1603 1.1603 1.3432 1.3432 1.4701 1.4701 1.7143 1.7143 2.2573 2.2573 2.4413 2.4413 3.0360 3.0360 3.0964 3.0964 6.8596 6.8596 7.6957 7.6957 8.3499 8.3499 8.6551 8.6551 9.1394 9.1394 k = 0.0741-0.0000 0.4384 ( 6668 PWs) bands (ev): -15.9585 -15.9585 -15.8876 -15.8876 -10.6977 -10.6977 -10.6235 -10.6235 -6.1532 -6.1532 -5.9734 -5.9734 -5.3125 -5.3125 -5.2877 -5.2877 -1.2996 -1.2996 -1.2038 -1.2038 -0.2155 -0.2155 -0.1205 -0.1205 0.1855 0.1855 0.2814 0.2814 0.4016 0.4016 0.4647 0.4647 0.7817 0.7817 1.0740 1.0740 1.1711 1.1711 1.3443 1.3443 1.4590 1.4590 1.7084 1.7084 2.2582 2.2582 2.4457 2.4457 3.0434 3.0434 3.0995 3.0995 6.8622 6.8622 7.6666 7.6666 8.3363 8.3363 8.7260 8.7260 9.1553 9.1553 k = 0.0926-0.0000 0.4384 ( 6668 PWs) bands (ev): -15.9579 -15.9579 -15.8881 -15.8881 -10.6976 -10.6976 -10.6246 -10.6246 -6.1502 -6.1502 -5.9733 -5.9733 -5.3124 -5.3124 -5.2879 -5.2879 -1.2989 -1.2989 -1.2048 -1.2048 -0.2154 -0.2154 -0.1214 -0.1214 0.1748 0.1748 0.2924 0.2924 0.4039 0.4039 0.4676 0.4676 0.7760 0.7760 1.0602 1.0602 1.1818 1.1818 1.3456 1.3456 1.4461 1.4461 1.7011 1.7011 2.2592 2.2592 2.4507 2.4507 3.0523 3.0523 3.1038 3.1038 6.8654 6.8654 7.6317 7.6317 8.3325 8.3325 8.8009 8.8009 9.1756 9.1756 k = 0.1111-0.0000 0.4384 ( 6670 PWs) bands (ev): -15.9571 -15.9571 -15.8887 -15.8887 -10.6975 -10.6975 -10.6259 -10.6259 -6.1467 -6.1467 -5.9733 -5.9733 -5.3124 -5.3124 -5.2881 -5.2881 -1.2981 -1.2981 -1.2061 -1.2061 -0.2154 -0.2154 -0.1225 -0.1225 0.1648 0.1648 0.3028 0.3028 0.4060 0.4060 0.4715 0.4715 0.7692 0.7692 1.0456 1.0456 1.1922 1.1922 1.3470 1.3470 1.4323 1.4323 1.6925 1.6925 2.2604 2.2604 2.4558 2.4558 3.0619 3.0619 3.1095 3.1095 6.8693 6.8693 7.5925 7.5925 8.3380 8.3380 8.8787 8.8787 9.2003 9.2003 k = 0.1296-0.0000 0.4384 ( 6648 PWs) bands (ev): -15.9562 -15.9562 -15.8894 -15.8894 -10.6974 -10.6974 -10.6274 -10.6274 -6.1426 -6.1426 -5.9732 -5.9732 -5.3122 -5.3122 -5.2883 -5.2883 -1.2972 -1.2972 -1.2075 -1.2075 -0.2152 -0.2152 -0.1237 -0.1237 0.1556 0.1556 0.3124 0.3124 0.4077 0.4077 0.4764 0.4764 0.7617 0.7617 1.0305 1.0305 1.2024 1.2024 1.3485 1.3485 1.4185 1.4185 1.6828 1.6828 2.2619 2.2619 2.4607 2.4607 3.0716 3.0716 3.1170 3.1170 6.8738 6.8738 7.5505 7.5505 8.3518 8.3518 8.9584 8.9584 9.2294 9.2294 k = 0.1481-0.0000 0.4384 ( 6646 PWs) bands (ev): -15.9552 -15.9552 -15.8902 -15.8902 -10.6973 -10.6973 -10.6291 -10.6291 -6.1380 -6.1380 -5.9733 -5.9733 -5.3121 -5.3121 -5.2886 -5.2886 -1.2961 -1.2961 -1.2092 -1.2092 -0.2150 -0.2150 -0.1250 -0.1250 0.1472 0.1472 0.3212 0.3212 0.4086 0.4086 0.4818 0.4818 0.7535 0.7535 1.0149 1.0149 1.2116 1.2116 1.3499 1.3499 1.4056 1.4056 1.6722 1.6722 2.2636 2.2636 2.4649 2.4649 3.0808 3.0808 3.1263 3.1263 6.8788 6.8788 7.5073 7.5073 8.3731 8.3731 9.0388 9.0388 9.2629 9.2629 k = 0.1667-0.0000 0.4384 ( 6642 PWs) bands (ev): -15.9541 -15.9541 -15.8910 -15.8910 -10.6971 -10.6971 -10.6310 -10.6310 -6.1328 -6.1328 -5.9734 -5.9734 -5.3120 -5.3120 -5.2889 -5.2889 -1.2949 -1.2949 -1.2110 -1.2110 -0.2147 -0.2147 -0.1263 -0.1263 0.1397 0.1397 0.3292 0.3292 0.4088 0.4088 0.4873 0.4873 0.7451 0.7451 0.9991 0.9991 1.2197 1.2197 1.3512 1.3512 1.3946 1.3946 1.6608 1.6608 2.2655 2.2655 2.4684 2.4684 3.0892 3.0892 3.1374 3.1374 6.8844 6.8844 7.4639 7.4639 8.4012 8.4012 9.1189 9.1189 9.3013 9.3013 k = 0.1852-0.0000 0.4384 ( 6636 PWs) bands (ev): -15.9529 -15.9529 -15.8920 -15.8920 -10.6969 -10.6969 -10.6331 -10.6331 -6.1272 -6.1272 -5.9736 -5.9736 -5.3118 -5.3118 -5.2892 -5.2892 -1.2935 -1.2935 -1.2130 -1.2130 -0.2143 -0.2143 -0.1276 -0.1276 0.1331 0.1331 0.3362 0.3362 0.4083 0.4083 0.4924 0.4924 0.7367 0.7367 0.9835 0.9835 1.2263 1.2263 1.3520 1.3520 1.3862 1.3862 1.6487 1.6487 2.2676 2.2676 2.4710 2.4710 3.0967 3.0967 3.1498 3.1498 6.8904 6.8904 7.4213 7.4213 8.4353 8.4353 9.1968 9.1968 9.3457 9.3457 k = 0.2037-0.0000 0.4384 ( 6632 PWs) bands (ev): -15.9516 -15.9516 -15.8931 -15.8931 -10.6966 -10.6966 -10.6353 -10.6353 -6.1212 -6.1212 -5.9739 -5.9739 -5.3116 -5.3116 -5.2896 -5.2896 -1.2921 -1.2921 -1.2151 -1.2151 -0.2136 -0.2136 -0.1290 -0.1290 0.1275 0.1275 0.3422 0.3422 0.4070 0.4070 0.4962 0.4962 0.7292 0.7292 0.9684 0.9684 1.2311 1.2311 1.3520 1.3520 1.3812 1.3812 1.6363 1.6363 2.2701 2.2701 2.4725 2.4725 3.1037 3.1037 3.1626 3.1626 6.8969 6.8969 7.3802 7.3802 8.4749 8.4749 9.2695 9.2695 9.3982 9.3982 k = 0.2222-0.0000 0.4384 ( 6632 PWs) bands (ev): -15.9501 -15.9501 -15.8943 -15.8943 -10.6962 -10.6962 -10.6377 -10.6377 -6.1149 -6.1149 -5.9743 -5.9743 -5.3113 -5.3113 -5.2901 -5.2901 -1.2906 -1.2906 -1.2174 -1.2174 -0.2128 -0.2128 -0.1304 -0.1304 0.1230 0.1230 0.3472 0.3472 0.4050 0.4050 0.4978 0.4978 0.7232 0.7232 0.9543 0.9543 1.2339 1.2339 1.3513 1.3513 1.3798 1.3798 1.6235 1.6235 2.2729 2.2729 2.4728 2.4728 3.1103 3.1103 3.1754 3.1754 6.9037 6.9037 7.3410 7.3410 8.5194 8.5194 9.3340 9.3340 9.4610 9.4610 k = 0.2407-0.0000 0.4384 ( 6626 PWs) bands (ev): -15.9486 -15.9486 -15.8956 -15.8956 -10.6957 -10.6957 -10.6402 -10.6402 -6.1082 -6.1082 -5.9749 -5.9749 -5.3110 -5.3110 -5.2906 -5.2906 -1.2889 -1.2889 -1.2198 -1.2198 -0.2117 -0.2117 -0.1317 -0.1317 0.1194 0.1194 0.3510 0.3510 0.4023 0.4023 0.4966 0.4966 0.7195 0.7195 0.9415 0.9415 1.2348 1.2348 1.3500 1.3500 1.3817 1.3817 1.6108 1.6108 2.2760 2.2760 2.4721 2.4721 3.1169 3.1169 3.1875 3.1875 6.9109 6.9109 7.3040 7.3040 8.5685 8.5685 9.3895 9.3895 9.5340 9.5340 k = 0.2593-0.0000 0.4384 ( 6620 PWs) bands (ev): -15.9469 -15.9469 -15.8969 -15.8969 -10.6952 -10.6952 -10.6427 -10.6427 -6.1013 -6.1013 -5.9757 -5.9757 -5.3107 -5.3107 -5.2912 -5.2912 -1.2872 -1.2872 -1.2223 -1.2223 -0.2103 -0.2103 -0.1331 -0.1331 0.1169 0.1169 0.3535 0.3535 0.3991 0.3991 0.4922 0.4922 0.7187 0.7187 0.9300 0.9300 1.2343 1.2343 1.3483 1.3483 1.3860 1.3860 1.5982 1.5982 2.2797 2.2797 2.4703 2.4703 3.1234 3.1234 3.1986 3.1986 6.9183 6.9183 7.2696 7.2696 8.6215 8.6215 9.4379 9.4379 9.6145 9.6145 k = 0.2778-0.0000 0.4384 ( 6624 PWs) bands (ev): -15.9452 -15.9452 -15.8984 -15.8984 -10.6946 -10.6946 -10.6454 -10.6454 -6.0942 -6.0942 -5.9767 -5.9767 -5.3103 -5.3103 -5.2918 -5.2918 -1.2853 -1.2853 -1.2249 -1.2249 -0.2086 -0.2086 -0.1344 -0.1344 0.1155 0.1155 0.3542 0.3542 0.3953 0.3953 0.4848 0.4848 0.7209 0.7209 0.9200 0.9200 1.2328 1.2328 1.3459 1.3459 1.3922 1.3922 1.5858 1.5858 2.2837 2.2837 2.4674 2.4674 3.1299 3.1299 3.2083 3.2083 6.9258 6.9258 7.2378 7.2378 8.6781 8.6781 9.4807 9.4807 9.6997 9.6997 k = 0.2963-0.0000 0.4384 ( 6620 PWs) bands (ev): -15.9434 -15.9434 -15.8999 -15.8999 -10.6938 -10.6938 -10.6481 -10.6481 -6.0870 -6.0870 -5.9780 -5.9780 -5.3099 -5.3099 -5.2925 -5.2925 -1.2834 -1.2834 -1.2276 -1.2276 -0.2065 -0.2065 -0.1358 -0.1358 0.1151 0.1151 0.3525 0.3525 0.3916 0.3916 0.4753 0.4753 0.7261 0.7261 0.9114 0.9114 1.2310 1.2310 1.3428 1.3428 1.3996 1.3996 1.5741 1.5741 2.2884 2.2884 2.4635 2.4635 3.1365 3.1365 3.2165 3.2165 6.9335 6.9335 7.2086 7.2086 8.7377 8.7377 9.5182 9.5182 9.7878 9.7878 k = 0.3148-0.0000 0.4384 ( 6628 PWs) bands (ev): -15.9416 -15.9416 -15.9015 -15.9015 -10.6930 -10.6930 -10.6509 -10.6509 -6.0797 -6.0797 -5.9795 -5.9795 -5.3095 -5.3095 -5.2932 -5.2932 -1.2814 -1.2814 -1.2303 -1.2303 -0.2041 -0.2041 -0.1373 -0.1373 0.1157 0.1157 0.3473 0.3473 0.3885 0.3885 0.4648 0.4648 0.7337 0.7337 0.9039 0.9039 1.2292 1.2292 1.3388 1.3388 1.4078 1.4078 1.5630 1.5630 2.2935 2.2935 2.4586 2.4586 3.1432 3.1432 3.2231 3.2231 6.9414 6.9414 7.1820 7.1820 8.7998 8.7998 9.5499 9.5499 9.8782 9.8782 k = 0.3333-0.0000 0.4384 ( 6624 PWs) bands (ev): -15.9396 -15.9396 -15.9032 -15.9032 -10.6920 -10.6920 -10.6537 -10.6537 -6.0724 -6.0724 -5.9813 -5.9813 -5.3090 -5.3090 -5.2940 -5.2940 -1.2794 -1.2794 -1.2331 -1.2331 -0.2012 -0.2012 -0.1389 -0.1389 0.1175 0.1175 0.3382 0.3382 0.3867 0.3867 0.4543 0.4543 0.7431 0.7431 0.8975 0.8975 1.2280 1.2280 1.3338 1.3338 1.4166 1.4166 1.5526 1.5526 2.2993 2.2993 2.4529 2.4529 3.1500 3.1500 3.2280 3.2280 6.9492 6.9492 7.1579 7.1579 8.8638 8.8638 9.5745 9.5745 9.9704 9.9704 k = 0.3519-0.0000 0.4384 ( 6622 PWs) bands (ev): -15.9377 -15.9377 -15.9049 -15.9049 -10.6909 -10.6909 -10.6565 -10.6565 -6.0651 -6.0651 -5.9834 -5.9834 -5.3084 -5.3084 -5.2948 -5.2948 -1.2772 -1.2772 -1.2358 -1.2358 -0.1980 -0.1980 -0.1406 -0.1406 0.1204 0.1204 0.3254 0.3254 0.3860 0.3860 0.4446 0.4446 0.7537 0.7537 0.8918 0.8918 1.2274 1.2274 1.3278 1.3278 1.4254 1.4254 1.5431 1.5431 2.3056 2.3056 2.4463 2.4463 3.1569 3.1569 3.2312 3.2312 6.9572 6.9572 7.1361 7.1361 8.9291 8.9291 9.5908 9.5908 10.0641 10.0641 k = 0.3704-0.0000 0.4384 ( 6618 PWs) bands (ev): -15.9356 -15.9356 -15.9068 -15.9068 -10.6897 -10.6897 -10.6593 -10.6593 -6.0579 -6.0579 -5.9859 -5.9859 -5.3078 -5.3078 -5.2956 -5.2956 -1.2750 -1.2750 -1.2386 -1.2386 -0.1945 -0.1945 -0.1425 -0.1425 0.1245 0.1245 0.3098 0.3098 0.3862 0.3862 0.4360 0.4360 0.7651 0.7651 0.8864 0.8864 1.2277 1.2277 1.3208 1.3208 1.4343 1.4343 1.5344 1.5344 2.3126 2.3126 2.4390 2.4390 3.1639 3.1639 3.2328 3.2328 6.9651 6.9651 7.1166 7.1166 8.9950 8.9950 9.5980 9.5980 10.1586 10.1586 k = 0.3889-0.0000 0.4384 ( 6616 PWs) bands (ev): -15.9336 -15.9336 -15.9086 -15.9086 -10.6883 -10.6883 -10.6621 -10.6621 -6.0508 -6.0508 -5.9887 -5.9887 -5.3071 -5.3071 -5.2965 -5.2965 -1.2727 -1.2727 -1.2415 -1.2415 -0.1906 -0.1906 -0.1447 -0.1447 0.1297 0.1297 0.2923 0.2923 0.3869 0.3869 0.4286 0.4286 0.7769 0.7769 0.8812 0.8812 1.2291 1.2291 1.3130 1.3130 1.4429 1.4429 1.5265 1.5265 2.3201 2.3201 2.4311 2.4311 3.1709 3.1709 3.2330 3.2330 6.9731 6.9731 7.0991 7.0991 9.0607 9.0607 9.5957 9.5957 10.2516 10.2516 k = 0.4074-0.0000 0.4384 ( 6614 PWs) bands (ev): -15.9315 -15.9315 -15.9106 -15.9106 -10.6868 -10.6868 -10.6648 -10.6648 -6.0439 -6.0439 -5.9919 -5.9919 -5.3064 -5.3064 -5.2974 -5.2974 -1.2704 -1.2704 -1.2443 -1.2443 -0.1864 -0.1864 -0.1472 -0.1472 0.1363 0.1363 0.2740 0.2740 0.3880 0.3880 0.4220 0.4220 0.7887 0.7887 0.8760 0.8760 1.2315 1.2315 1.3045 1.3045 1.4513 1.4513 1.5192 1.5192 2.3282 2.3282 2.4225 2.4225 3.1779 3.1779 3.2318 3.2318 6.9811 6.9811 7.0833 7.0833 9.1257 9.1257 9.5841 9.5841 10.3353 10.3353 k = 0.4259-0.0000 0.4384 ( 6612 PWs) bands (ev): -15.9294 -15.9294 -15.9125 -15.9125 -10.6851 -10.6851 -10.6675 -10.6675 -6.0373 -6.0373 -5.9955 -5.9955 -5.3056 -5.3056 -5.2984 -5.2984 -1.2680 -1.2680 -1.2470 -1.2470 -0.1821 -0.1821 -0.1499 -0.1499 0.1441 0.1441 0.2556 0.2556 0.3895 0.3895 0.4163 0.4163 0.8003 0.8003 0.8703 0.8703 1.2351 1.2351 1.2955 1.2955 1.4593 1.4593 1.5124 1.5124 2.3368 2.3368 2.4135 2.4135 3.1848 3.1848 3.2295 3.2295 6.9892 6.9892 7.0692 7.0692 9.1892 9.1892 9.5640 9.5640 10.3963 10.3963 k = 0.4444-0.0000 0.4384 ( 6610 PWs) bands (ev): -15.9272 -15.9272 -15.9146 -15.9146 -10.6834 -10.6834 -10.6700 -10.6700 -6.0309 -6.0309 -5.9994 -5.9994 -5.3048 -5.3048 -5.2993 -5.2993 -1.2655 -1.2655 -1.2498 -1.2498 -0.1776 -0.1776 -0.1531 -0.1531 0.1533 0.1533 0.2376 0.2376 0.3914 0.3914 0.4113 0.4113 0.8115 0.8115 0.8641 0.8641 1.2398 1.2398 1.2864 1.2864 1.4668 1.4668 1.5060 1.5060 2.3458 2.3458 2.4041 2.4041 3.1917 3.1917 3.2260 3.2260 6.9975 6.9975 7.0564 7.0564 9.2505 9.2505 9.5361 9.5361 10.4420 10.4420 k = 0.4630-0.0000 0.4384 ( 6604 PWs) bands (ev): -15.9251 -15.9251 -15.9166 -15.9166 -10.6814 -10.6814 -10.6725 -10.6725 -6.0248 -6.0248 -6.0037 -6.0037 -5.3039 -5.3039 -5.3003 -5.3003 -1.2630 -1.2630 -1.2525 -1.2525 -0.1731 -0.1731 -0.1565 -0.1565 0.1639 0.1639 0.2203 0.2203 0.3936 0.3936 0.4068 0.4068 0.8221 0.8221 0.8573 0.8573 1.2457 1.2457 1.2773 1.2773 1.4740 1.4740 1.4998 1.4998 2.3552 2.3552 2.3944 2.3944 3.1984 3.1984 3.2217 3.2217 7.0060 7.0060 7.0448 7.0448 9.3089 9.3089 9.5014 9.5014 10.4847 10.4847 k = 0.4815-0.0000 0.4384 ( 6606 PWs) bands (ev): -15.9229 -15.9229 -15.9187 -15.9187 -10.6794 -10.6794 -10.6749 -10.6749 -6.0190 -6.0190 -6.0084 -6.0084 -5.3030 -5.3030 -5.3012 -5.3012 -1.2605 -1.2605 -1.2552 -1.2552 -0.1687 -0.1687 -0.1603 -0.1603 0.1759 0.1759 0.2042 0.2042 0.3963 0.3963 0.4028 0.4028 0.8321 0.8321 0.8497 0.8497 1.2524 1.2524 1.2685 1.2685 1.4808 1.4808 1.4936 1.4936 2.3648 2.3648 2.3846 2.3846 3.2049 3.2049 3.2167 3.2167 7.0149 7.0149 7.0341 7.0341 9.3638 9.3638 9.4607 9.4607 10.5275 10.5275 k = 0.5000-0.0000 0.4384 ( 6608 PWs) bands (ev): -15.9208 -15.9208 -15.9208 -15.9208 -10.6772 -10.6772 -10.6772 -10.6772 -6.0135 -6.0135 -6.0135 -6.0135 -5.3021 -5.3021 -5.3021 -5.3021 -1.2578 -1.2578 -1.2578 -1.2578 -0.1644 -0.1644 -0.1644 -0.1644 0.1894 0.1894 0.1894 0.1894 0.3993 0.3993 0.3993 0.3993 0.8413 0.8413 0.8413 0.8413 1.2601 1.2601 1.2601 1.2601 1.4873 1.4873 1.4873 1.4873 2.3747 2.3747 2.3747 2.3747 3.2110 3.2110 3.2110 3.2110 7.0242 7.0242 7.0242 7.0242 9.4146 9.4146 9.4146 9.4146 10.5702 10.5702 Writing output data file AgH3BrN.save init_run : 0.44s CPU 0.57s WALL ( 1 calls) electrons : 164.86s CPU 167.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.02s CPU 0.03s WALL ( 1 calls) Called by electrons: c_bands : 164.86s CPU 167.36s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.07s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.07s CPU 0.08s WALL ( 262 calls) cegterg : 150.32s CPU 152.17s WALL ( 403 calls) Called by sum_band: Called by *egterg: h_psi : 86.60s CPU 87.94s WALL ( 6425 calls) s_psi : 4.63s CPU 4.71s WALL ( 6425 calls) g_psi : 0.30s CPU 0.32s WALL ( 5760 calls) cdiaghg : 47.69s CPU 48.52s WALL ( 6022 calls) cegterg:over : 8.27s CPU 8.19s WALL ( 5760 calls) cegterg:upda : 7.78s CPU 7.62s WALL ( 5760 calls) cegterg:last : 4.02s CPU 3.96s WALL ( 927 calls) cdiaghg:chol : 2.79s CPU 2.79s WALL ( 6022 calls) cdiaghg:inve : 1.80s CPU 1.90s WALL ( 6022 calls) cdiaghg:para : 3.06s CPU 3.02s WALL ( 12044 calls) Called by h_psi: h_psi:vloc : 75.05s CPU 76.16s WALL ( 6425 calls) h_psi:vnl : 11.18s CPU 11.41s WALL ( 6425 calls) add_vuspsi : 5.41s CPU 5.41s WALL ( 6425 calls) General routines calbec : 5.73s CPU 5.98s WALL ( 6425 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 69.68s CPU 70.75s WALL ( 705460 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.23s CPU 0.35s WALL ( 524 calls) Parallel routines fft_scatter : 24.88s CPU 25.49s WALL ( 705483 calls) PWSCF : 3m 5.24s CPU 3m17.94s WALL This run was terminated on: 18:21:15 24Dec2016 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=