Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:14: 1 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: ./BaTeO3.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P 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 70 40 11 3461 1518 233 Max 71 41 12 3465 1538 236 Sum 2535 1475 427 124669 55117 8467 bravais-lattice index = 14 lattice parameter (alat) = 11.2306 a.u. unit-cell volume = 1266.2757 (a.u.)^3 number of atoms/cell = 10 number of atomic types = 3 number of electrons = 68.00 number of Kohn-Sham states= 82 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 324.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.230642 celldm(2)= 0.779573 celldm(3)= 1.195356 celldm(4)= 0.282341 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 0.779573 0.000000 ) a(3) = ( 0.000000 0.337499 1.146722 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 1.282754 -0.377535 ) b(3) = ( 0.000000 0.000000 0.872051 ) PseudoPot. # 1 for Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for O read from file: /users/gautes/Pseudo/O.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e551570ea340e0688630c94d366e26e3 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1095 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 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 Ba 10.00 137.32700 Ba( 1.00) O 6.00 15.99940 O( 1.00) Te 6.00 127.60000 Te( 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= 252 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 2) = ( 0.0000000 0.0000000 0.0181677), wk = 0.0039683 k( 3) = ( 0.0000000 0.0000000 0.0363355), wk = 0.0039683 k( 4) = ( 0.0000000 0.0000000 0.0545032), wk = 0.0039683 k( 5) = ( 0.0000000 0.0000000 0.0726709), wk = 0.0039683 k( 6) = ( 0.0000000 0.0000000 0.0908387), wk = 0.0039683 k( 7) = ( 0.0000000 0.0000000 0.1090064), wk = 0.0039683 k( 8) = ( 0.0000000 0.0000000 0.1271741), wk = 0.0039683 k( 9) = ( 0.0000000 0.0000000 0.1453419), wk = 0.0039683 k( 10) = ( 0.0000000 0.0000000 0.1635096), wk = 0.0039683 k( 11) = ( 0.0000000 0.0000000 0.1816773), wk = 0.0039683 k( 12) = ( 0.0000000 0.0000000 0.1998451), wk = 0.0039683 k( 13) = ( 0.0000000 0.0000000 0.2180128), wk = 0.0039683 k( 14) = ( 0.0000000 0.0000000 0.2361805), wk = 0.0039683 k( 15) = ( 0.0000000 0.0000000 0.2543483), wk = 0.0039683 k( 16) = ( 0.0000000 0.0000000 0.2725160), wk = 0.0039683 k( 17) = ( 0.0000000 0.0000000 0.2906837), wk = 0.0039683 k( 18) = ( 0.0000000 0.0000000 0.3088515), wk = 0.0039683 k( 19) = ( 0.0000000 0.0000000 0.3270192), wk = 0.0039683 k( 20) = ( 0.0000000 0.0000000 0.3451869), wk = 0.0039683 k( 21) = ( 0.0000000 0.0000000 0.3633547), wk = 0.0039683 k( 22) = ( 0.0000000 0.0000000 0.3815224), wk = 0.0039683 k( 23) = ( 0.0000000 0.0000000 0.3996902), wk = 0.0039683 k( 24) = ( 0.0000000 0.0000000 0.4178579), wk = 0.0039683 k( 25) = ( 0.0000000 0.0000000 0.4360256), wk = 0.0039683 k( 26) = ( 0.0000000 0.0000000 0.4360256), wk = 0.0039683 k( 27) = ( 0.0000000 0.0183421 0.4360256), wk = 0.0039683 k( 28) = ( 0.0000000 0.0366842 0.4360256), wk = 0.0039683 k( 29) = ( 0.0000000 0.0550263 0.4360256), wk = 0.0039683 k( 30) = ( 0.0000000 0.0733684 0.4360256), wk = 0.0039683 k( 31) = ( 0.0000000 0.0917105 0.4360256), wk = 0.0039683 k( 32) = ( 0.0000000 0.1100526 0.4360256), wk = 0.0039683 k( 33) = ( 0.0000000 0.1283947 0.4360256), wk = 0.0039683 k( 34) = ( 0.0000000 0.1467368 0.4360256), wk = 0.0039683 k( 35) = ( 0.0000000 0.1650789 0.4360256), wk = 0.0039683 k( 36) = ( 0.0000000 0.1834210 0.4360256), wk = 0.0039683 k( 37) = ( 0.0000000 0.2017631 0.4360256), wk = 0.0039683 k( 38) = ( 0.0000000 0.2201052 0.4360256), wk = 0.0039683 k( 39) = ( 0.0000000 0.2384473 0.4360256), wk = 0.0039683 k( 40) = ( 0.0000000 0.2567894 0.4360256), wk = 0.0039683 k( 41) = ( 0.0000000 0.2751315 0.4360256), wk = 0.0039683 k( 42) = ( 0.0000000 0.2934736 0.4360256), wk = 0.0039683 k( 43) = ( 0.0000000 0.3118157 0.4360256), wk = 0.0039683 k( 44) = ( 0.0000000 0.3301578 0.4360256), wk = 0.0039683 k( 45) = ( 0.0000000 0.3484999 0.4360256), wk = 0.0039683 k( 46) = ( 0.0000000 0.3668420 0.4360256), wk = 0.0039683 k( 47) = ( 0.0000000 0.3851841 0.4360256), wk = 0.0039683 k( 48) = ( 0.0000000 0.4035262 0.4360256), wk = 0.0039683 k( 49) = ( 0.0000000 0.4218683 0.4360256), wk = 0.0039683 k( 50) = ( 0.0000000 0.4402104 0.4360256), wk = 0.0039683 k( 51) = ( 0.0000000 0.4585525 0.4360256), wk = 0.0039683 k( 52) = ( 0.0000000 0.4768946 0.4360256), wk = 0.0039683 k( 53) = ( 0.0000000 0.4952367 0.4360256), wk = 0.0039683 k( 54) = ( 0.0000000 0.5135788 0.4360256), wk = 0.0039683 k( 55) = ( 0.0000000 0.5319209 0.4360256), wk = 0.0039683 k( 56) = ( 0.0000000 0.5502630 0.4360256), wk = 0.0039683 k( 57) = ( 0.0000000 0.5686051 0.4360256), wk = 0.0039683 k( 58) = ( 0.0000000 0.5686051 0.4360256), wk = 0.0039683 k( 59) = ( 0.0000000 0.5752207 0.4188649), wk = 0.0039683 k( 60) = ( 0.0000000 0.5818363 0.4017043), wk = 0.0039683 k( 61) = ( 0.0000000 0.5884520 0.3845436), wk = 0.0039683 k( 62) = ( 0.0000000 0.5950676 0.3673829), wk = 0.0039683 k( 63) = ( 0.0000000 0.6016833 0.3502222), wk = 0.0039683 k( 64) = ( 0.0000000 0.6082989 0.3330615), wk = 0.0039683 k( 65) = ( 0.0000000 0.6149145 0.3159008), wk = 0.0039683 k( 66) = ( 0.0000000 0.6215302 0.2987401), wk = 0.0039683 k( 67) = ( 0.0000000 0.6281458 0.2815795), wk = 0.0039683 k( 68) = ( 0.0000000 0.6347614 0.2644188), wk = 0.0039683 k( 69) = ( 0.0000000 0.6413771 0.2472581), wk = 0.0039683 k( 70) = ( 0.0000000 0.6413771 0.2472581), wk = 0.0039683 k( 71) = ( 0.0185185 0.6413771 0.2472581), wk = 0.0039683 k( 72) = ( 0.0370370 0.6413771 0.2472581), wk = 0.0039683 k( 73) = ( 0.0555556 0.6413771 0.2472581), wk = 0.0039683 k( 74) = ( 0.0740741 0.6413771 0.2472581), wk = 0.0039683 k( 75) = ( 0.0925926 0.6413771 0.2472581), wk = 0.0039683 k( 76) = ( 0.1111111 0.6413771 0.2472581), wk = 0.0039683 k( 77) = ( 0.1296296 0.6413771 0.2472581), wk = 0.0039683 k( 78) = ( 0.1481482 0.6413771 0.2472581), wk = 0.0039683 k( 79) = ( 0.1666667 0.6413771 0.2472581), wk = 0.0039683 k( 80) = ( 0.1851852 0.6413771 0.2472581), wk = 0.0039683 k( 81) = ( 0.2037037 0.6413771 0.2472581), wk = 0.0039683 k( 82) = ( 0.2222222 0.6413771 0.2472581), wk = 0.0039683 k( 83) = ( 0.2407407 0.6413771 0.2472581), wk = 0.0039683 k( 84) = ( 0.2592593 0.6413771 0.2472581), wk = 0.0039683 k( 85) = ( 0.2777778 0.6413771 0.2472581), wk = 0.0039683 k( 86) = ( 0.2962963 0.6413771 0.2472581), wk = 0.0039683 k( 87) = ( 0.3148148 0.6413771 0.2472581), wk = 0.0039683 k( 88) = ( 0.3333333 0.6413771 0.2472581), wk = 0.0039683 k( 89) = ( 0.3518519 0.6413771 0.2472581), wk = 0.0039683 k( 90) = ( 0.3703704 0.6413771 0.2472581), wk = 0.0039683 k( 91) = ( 0.3888889 0.6413771 0.2472581), wk = 0.0039683 k( 92) = ( 0.4074074 0.6413771 0.2472581), wk = 0.0039683 k( 93) = ( 0.4259259 0.6413771 0.2472581), wk = 0.0039683 k( 94) = ( 0.4444444 0.6413771 0.2472581), wk = 0.0039683 k( 95) = ( 0.4629630 0.6413771 0.2472581), wk = 0.0039683 k( 96) = ( 0.4814815 0.6413771 0.2472581), wk = 0.0039683 k( 97) = ( 0.5000000 0.6413771 0.2472581), wk = 0.0039683 k( 98) = ( 0.5000000 0.6413771 0.2472581), wk = 0.0039683 k( 99) = ( 0.5000000 0.6479927 0.2300974), wk = 0.0039683 k( 100) = ( 0.5000000 0.6546084 0.2129367), wk = 0.0039683 k( 101) = ( 0.5000000 0.6612240 0.1957760), wk = 0.0039683 k( 102) = ( 0.5000000 0.6678396 0.1786153), wk = 0.0039683 k( 103) = ( 0.5000000 0.6744553 0.1614547), wk = 0.0039683 k( 104) = ( 0.5000000 0.6810709 0.1442940), wk = 0.0039683 k( 105) = ( 0.5000000 0.6876865 0.1271333), wk = 0.0039683 k( 106) = ( 0.5000000 0.6943022 0.1099726), wk = 0.0039683 k( 107) = ( 0.5000000 0.7009178 0.0928119), wk = 0.0039683 k( 108) = ( 0.5000000 0.7075335 0.0756512), wk = 0.0039683 k( 109) = ( 0.5000000 0.7141491 0.0584905), wk = 0.0039683 k( 110) = ( 0.5000000 0.7141491 0.0584905), wk = 0.0039683 k( 111) = ( 0.5000000 0.7089511 0.0408293), wk = 0.0039683 k( 112) = ( 0.5000000 0.7037531 0.0231680), wk = 0.0039683 k( 113) = ( 0.5000000 0.6985551 0.0055067), wk = 0.0039683 k( 114) = ( 0.5000000 0.6933571 -0.0121546), wk = 0.0039683 k( 115) = ( 0.5000000 0.6881591 -0.0298159), wk = 0.0039683 k( 116) = ( 0.5000000 0.6829611 -0.0474772), wk = 0.0039683 k( 117) = ( 0.5000000 0.6777631 -0.0651385), wk = 0.0039683 k( 118) = ( 0.5000000 0.6725651 -0.0827998), wk = 0.0039683 k( 119) = ( 0.5000000 0.6673671 -0.1004611), wk = 0.0039683 k( 120) = ( 0.5000000 0.6621691 -0.1181224), wk = 0.0039683 k( 121) = ( 0.5000000 0.6569711 -0.1357837), wk = 0.0039683 k( 122) = ( 0.5000000 0.6517731 -0.1534450), wk = 0.0039683 k( 123) = ( 0.5000000 0.6465751 -0.1711063), wk = 0.0039683 k( 124) = ( 0.5000000 0.6413771 -0.1887675), wk = 0.0039683 k( 125) = ( 0.5000000 0.6413771 -0.1887675), wk = 0.0039683 k( 126) = ( 0.4814815 0.6413771 -0.1887675), wk = 0.0039683 k( 127) = ( 0.4629630 0.6413771 -0.1887675), wk = 0.0039683 k( 128) = ( 0.4444444 0.6413771 -0.1887675), wk = 0.0039683 k( 129) = ( 0.4259259 0.6413771 -0.1887675), wk = 0.0039683 k( 130) = ( 0.4074074 0.6413771 -0.1887675), wk = 0.0039683 k( 131) = ( 0.3888889 0.6413771 -0.1887675), wk = 0.0039683 k( 132) = ( 0.3703704 0.6413771 -0.1887675), wk = 0.0039683 k( 133) = ( 0.3518519 0.6413771 -0.1887675), wk = 0.0039683 k( 134) = ( 0.3333333 0.6413771 -0.1887675), wk = 0.0039683 k( 135) = ( 0.3148148 0.6413771 -0.1887675), wk = 0.0039683 k( 136) = ( 0.2962963 0.6413771 -0.1887675), wk = 0.0039683 k( 137) = ( 0.2777778 0.6413771 -0.1887675), wk = 0.0039683 k( 138) = ( 0.2592593 0.6413771 -0.1887675), wk = 0.0039683 k( 139) = ( 0.2407407 0.6413771 -0.1887675), wk = 0.0039683 k( 140) = ( 0.2222222 0.6413771 -0.1887675), wk = 0.0039683 k( 141) = ( 0.2037037 0.6413771 -0.1887675), wk = 0.0039683 k( 142) = ( 0.1851852 0.6413771 -0.1887675), wk = 0.0039683 k( 143) = ( 0.1666667 0.6413771 -0.1887675), wk = 0.0039683 k( 144) = ( 0.1481482 0.6413771 -0.1887675), wk = 0.0039683 k( 145) = ( 0.1296296 0.6413771 -0.1887675), wk = 0.0039683 k( 146) = ( 0.1111111 0.6413771 -0.1887675), wk = 0.0039683 k( 147) = ( 0.0925926 0.6413771 -0.1887675), wk = 0.0039683 k( 148) = ( 0.0740741 0.6413771 -0.1887675), wk = 0.0039683 k( 149) = ( 0.0555556 0.6413771 -0.1887675), wk = 0.0039683 k( 150) = ( 0.0370370 0.6413771 -0.1887675), wk = 0.0039683 k( 151) = ( 0.0185185 0.6413771 -0.1887675), wk = 0.0039683 k( 152) = ( 0.0000000 0.6413771 -0.1887675), wk = 0.0039683 k( 153) = ( 0.0000000 0.6413771 -0.1887675), wk = 0.0039683 k( 154) = ( 0.0000000 0.6465751 -0.1711063), wk = 0.0039683 k( 155) = ( 0.0000000 0.6517731 -0.1534450), wk = 0.0039683 k( 156) = ( 0.0000000 0.6569711 -0.1357837), wk = 0.0039683 k( 157) = ( 0.0000000 0.6621691 -0.1181224), wk = 0.0039683 k( 158) = ( 0.0000000 0.6673671 -0.1004611), wk = 0.0039683 k( 159) = ( 0.0000000 0.6725651 -0.0827998), wk = 0.0039683 k( 160) = ( 0.0000000 0.6777631 -0.0651385), wk = 0.0039683 k( 161) = ( 0.0000000 0.6829611 -0.0474772), wk = 0.0039683 k( 162) = ( 0.0000000 0.6881591 -0.0298159), wk = 0.0039683 k( 163) = ( 0.0000000 0.6933571 -0.0121546), wk = 0.0039683 k( 164) = ( 0.0000000 0.6985551 0.0055067), wk = 0.0039683 k( 165) = ( 0.0000000 0.7037531 0.0231680), wk = 0.0039683 k( 166) = ( 0.0000000 0.7089511 0.0408293), wk = 0.0039683 k( 167) = ( 0.0000000 0.7141491 0.0584905), wk = 0.0039683 k( 168) = ( 0.5000000 0.5686051 0.4360256), wk = 0.0039683 k( 169) = ( 0.5000000 0.5502630 0.4360256), wk = 0.0039683 k( 170) = ( 0.5000000 0.5319209 0.4360256), wk = 0.0039683 k( 171) = ( 0.5000000 0.5135788 0.4360256), wk = 0.0039683 k( 172) = ( 0.5000000 0.4952367 0.4360256), wk = 0.0039683 k( 173) = ( 0.5000000 0.4768946 0.4360256), wk = 0.0039683 k( 174) = ( 0.5000000 0.4585525 0.4360256), wk = 0.0039683 k( 175) = ( 0.5000000 0.4402104 0.4360256), wk = 0.0039683 k( 176) = ( 0.5000000 0.4218683 0.4360256), wk = 0.0039683 k( 177) = ( 0.5000000 0.4035262 0.4360256), wk = 0.0039683 k( 178) = ( 0.5000000 0.3851841 0.4360256), wk = 0.0039683 k( 179) = ( 0.5000000 0.3668420 0.4360256), wk = 0.0039683 k( 180) = ( 0.5000000 0.3484999 0.4360256), wk = 0.0039683 k( 181) = ( 0.5000000 0.3301578 0.4360256), wk = 0.0039683 k( 182) = ( 0.5000000 0.3118157 0.4360256), wk = 0.0039683 k( 183) = ( 0.5000000 0.2934736 0.4360256), wk = 0.0039683 k( 184) = ( 0.5000000 0.2751315 0.4360256), wk = 0.0039683 k( 185) = ( 0.5000000 0.2567894 0.4360256), wk = 0.0039683 k( 186) = ( 0.5000000 0.2384473 0.4360256), wk = 0.0039683 k( 187) = ( 0.5000000 0.2201052 0.4360256), wk = 0.0039683 k( 188) = ( 0.5000000 0.2017631 0.4360256), wk = 0.0039683 k( 189) = ( 0.5000000 0.1834210 0.4360256), wk = 0.0039683 k( 190) = ( 0.5000000 0.1650789 0.4360256), wk = 0.0039683 k( 191) = ( 0.5000000 0.1467368 0.4360256), wk = 0.0039683 k( 192) = ( 0.5000000 0.1283947 0.4360256), wk = 0.0039683 k( 193) = ( 0.5000000 0.1100526 0.4360256), wk = 0.0039683 k( 194) = ( 0.5000000 0.0917105 0.4360256), wk = 0.0039683 k( 195) = ( 0.5000000 0.0733684 0.4360256), wk = 0.0039683 k( 196) = ( 0.5000000 0.0550263 0.4360256), wk = 0.0039683 k( 197) = ( 0.5000000 0.0366842 0.4360256), wk = 0.0039683 k( 198) = ( 0.5000000 0.0183421 0.4360256), wk = 0.0039683 k( 199) = ( 0.5000000 -0.0000000 0.4360256), wk = 0.0039683 k( 200) = ( 0.5000000 -0.0000000 0.4360256), wk = 0.0039683 k( 201) = ( 0.5000000 -0.0000000 0.4178579), wk = 0.0039683 k( 202) = ( 0.5000000 -0.0000000 0.3996902), wk = 0.0039683 k( 203) = ( 0.5000000 -0.0000000 0.3815224), wk = 0.0039683 k( 204) = ( 0.5000000 -0.0000000 0.3633547), wk = 0.0039683 k( 205) = ( 0.5000000 -0.0000000 0.3451869), wk = 0.0039683 k( 206) = ( 0.5000000 -0.0000000 0.3270192), wk = 0.0039683 k( 207) = ( 0.5000000 -0.0000000 0.3088515), wk = 0.0039683 k( 208) = ( 0.5000000 -0.0000000 0.2906837), wk = 0.0039683 k( 209) = ( 0.5000000 -0.0000000 0.2725160), wk = 0.0039683 k( 210) = ( 0.5000000 -0.0000000 0.2543483), wk = 0.0039683 k( 211) = ( 0.5000000 -0.0000000 0.2361805), wk = 0.0039683 k( 212) = ( 0.5000000 -0.0000000 0.2180128), wk = 0.0039683 k( 213) = ( 0.5000000 -0.0000000 0.1998451), wk = 0.0039683 k( 214) = ( 0.5000000 -0.0000000 0.1816773), wk = 0.0039683 k( 215) = ( 0.5000000 -0.0000000 0.1635096), wk = 0.0039683 k( 216) = ( 0.5000000 -0.0000000 0.1453419), wk = 0.0039683 k( 217) = ( 0.5000000 -0.0000000 0.1271741), wk = 0.0039683 k( 218) = ( 0.5000000 -0.0000000 0.1090064), wk = 0.0039683 k( 219) = ( 0.5000000 -0.0000000 0.0908387), wk = 0.0039683 k( 220) = ( 0.5000000 -0.0000000 0.0726709), wk = 0.0039683 k( 221) = ( 0.5000000 -0.0000000 0.0545032), wk = 0.0039683 k( 222) = ( 0.5000000 -0.0000000 0.0363355), wk = 0.0039683 k( 223) = ( 0.5000000 -0.0000000 0.0181677), wk = 0.0039683 k( 224) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0039683 k( 225) = ( 0.0000000 0.0000000 0.4360256), wk = 0.0039683 k( 226) = ( 0.0185185 -0.0000000 0.4360256), wk = 0.0039683 k( 227) = ( 0.0370370 -0.0000000 0.4360256), wk = 0.0039683 k( 228) = ( 0.0555556 -0.0000000 0.4360256), wk = 0.0039683 k( 229) = ( 0.0740741 -0.0000000 0.4360256), wk = 0.0039683 k( 230) = ( 0.0925926 -0.0000000 0.4360256), wk = 0.0039683 k( 231) = ( 0.1111111 -0.0000000 0.4360256), wk = 0.0039683 k( 232) = ( 0.1296296 -0.0000000 0.4360256), wk = 0.0039683 k( 233) = ( 0.1481482 -0.0000000 0.4360256), wk = 0.0039683 k( 234) = ( 0.1666667 -0.0000000 0.4360256), wk = 0.0039683 k( 235) = ( 0.1851852 -0.0000000 0.4360256), wk = 0.0039683 k( 236) = ( 0.2037037 -0.0000000 0.4360256), wk = 0.0039683 k( 237) = ( 0.2222222 -0.0000000 0.4360256), wk = 0.0039683 k( 238) = ( 0.2407407 -0.0000000 0.4360256), wk = 0.0039683 k( 239) = ( 0.2592593 -0.0000000 0.4360256), wk = 0.0039683 k( 240) = ( 0.2777778 -0.0000000 0.4360256), wk = 0.0039683 k( 241) = ( 0.2962963 -0.0000000 0.4360256), wk = 0.0039683 k( 242) = ( 0.3148148 -0.0000000 0.4360256), wk = 0.0039683 k( 243) = ( 0.3333333 -0.0000000 0.4360256), wk = 0.0039683 k( 244) = ( 0.3518519 -0.0000000 0.4360256), wk = 0.0039683 k( 245) = ( 0.3703704 -0.0000000 0.4360256), wk = 0.0039683 k( 246) = ( 0.3888889 -0.0000000 0.4360256), wk = 0.0039683 k( 247) = ( 0.4074074 -0.0000000 0.4360256), wk = 0.0039683 k( 248) = ( 0.4259259 -0.0000000 0.4360256), wk = 0.0039683 k( 249) = ( 0.4444444 -0.0000000 0.4360256), wk = 0.0039683 k( 250) = ( 0.4629630 -0.0000000 0.4360256), wk = 0.0039683 k( 251) = ( 0.4814815 -0.0000000 0.4360256), wk = 0.0039683 k( 252) = ( 0.5000000 -0.0000000 0.4360256), wk = 0.0039683 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0039683 k( 2) = ( 0.0000000 0.0000000 0.0208333), wk = 0.0039683 k( 3) = ( 0.0000000 0.0000000 0.0416667), wk = 0.0039683 k( 4) = ( 0.0000000 0.0000000 0.0625000), wk = 0.0039683 k( 5) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0039683 k( 6) = ( 0.0000000 0.0000000 0.1041667), wk = 0.0039683 k( 7) = ( 0.0000000 0.0000000 0.1250000), wk = 0.0039683 k( 8) = ( 0.0000000 0.0000000 0.1458333), wk = 0.0039683 k( 9) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0039683 k( 10) = ( 0.0000000 0.0000000 0.1875000), wk = 0.0039683 k( 11) = ( 0.0000000 0.0000000 0.2083333), wk = 0.0039683 k( 12) = ( 0.0000000 0.0000000 0.2291667), wk = 0.0039683 k( 13) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0039683 k( 14) = ( 0.0000000 0.0000000 0.2708333), wk = 0.0039683 k( 15) = ( 0.0000000 0.0000000 0.2916667), wk = 0.0039683 k( 16) = ( 0.0000000 0.0000000 0.3125000), wk = 0.0039683 k( 17) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0039683 k( 18) = ( 0.0000000 0.0000000 0.3541667), wk = 0.0039683 k( 19) = ( 0.0000000 0.0000000 0.3750000), wk = 0.0039683 k( 20) = ( 0.0000000 0.0000000 0.3958333), wk = 0.0039683 k( 21) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0039683 k( 22) = ( 0.0000000 0.0000000 0.4375000), wk = 0.0039683 k( 23) = ( 0.0000000 0.0000000 0.4583333), wk = 0.0039683 k( 24) = ( 0.0000000 0.0000000 0.4791667), wk = 0.0039683 k( 25) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039683 k( 26) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039683 k( 27) = ( 0.0000000 0.0142990 0.5061904), wk = 0.0039683 k( 28) = ( 0.0000000 0.0285980 0.5123809), wk = 0.0039683 k( 29) = ( 0.0000000 0.0428970 0.5185713), wk = 0.0039683 k( 30) = ( 0.0000000 0.0571960 0.5247617), wk = 0.0039683 k( 31) = ( 0.0000000 0.0714950 0.5309522), wk = 0.0039683 k( 32) = ( 0.0000000 0.0857940 0.5371426), wk = 0.0039683 k( 33) = ( 0.0000000 0.1000930 0.5433330), wk = 0.0039683 k( 34) = ( 0.0000000 0.1143920 0.5495235), wk = 0.0039683 k( 35) = ( 0.0000000 0.1286910 0.5557139), wk = 0.0039683 k( 36) = ( 0.0000000 0.1429900 0.5619043), wk = 0.0039683 k( 37) = ( 0.0000000 0.1572890 0.5680947), wk = 0.0039683 k( 38) = ( 0.0000000 0.1715880 0.5742852), wk = 0.0039683 k( 39) = ( 0.0000000 0.1858870 0.5804756), wk = 0.0039683 k( 40) = ( 0.0000000 0.2001860 0.5866660), wk = 0.0039683 k( 41) = ( 0.0000000 0.2144850 0.5928565), wk = 0.0039683 k( 42) = ( 0.0000000 0.2287840 0.5990469), wk = 0.0039683 k( 43) = ( 0.0000000 0.2430830 0.6052373), wk = 0.0039683 k( 44) = ( 0.0000000 0.2573820 0.6114278), wk = 0.0039683 k( 45) = ( 0.0000000 0.2716810 0.6176182), wk = 0.0039683 k( 46) = ( 0.0000000 0.2859800 0.6238086), wk = 0.0039683 k( 47) = ( 0.0000000 0.3002790 0.6299991), wk = 0.0039683 k( 48) = ( 0.0000000 0.3145779 0.6361895), wk = 0.0039683 k( 49) = ( 0.0000000 0.3288770 0.6423799), wk = 0.0039683 k( 50) = ( 0.0000000 0.3431760 0.6485703), wk = 0.0039683 k( 51) = ( 0.0000000 0.3574750 0.6547608), wk = 0.0039683 k( 52) = ( 0.0000000 0.3717739 0.6609512), wk = 0.0039683 k( 53) = ( 0.0000000 0.3860729 0.6671416), wk = 0.0039683 k( 54) = ( 0.0000000 0.4003719 0.6733321), wk = 0.0039683 k( 55) = ( 0.0000000 0.4146709 0.6795225), wk = 0.0039683 k( 56) = ( 0.0000000 0.4289699 0.6857129), wk = 0.0039683 k( 57) = ( 0.0000000 0.4432689 0.6919034), wk = 0.0039683 k( 58) = ( 0.0000000 0.4432689 0.6919034), wk = 0.0039683 k( 59) = ( 0.0000000 0.4484263 0.6744576), wk = 0.0039683 k( 60) = ( 0.0000000 0.4535837 0.6570118), wk = 0.0039683 k( 61) = ( 0.0000000 0.4587410 0.6395661), wk = 0.0039683 k( 62) = ( 0.0000000 0.4638984 0.6221203), wk = 0.0039683 k( 63) = ( 0.0000000 0.4690558 0.6046746), wk = 0.0039683 k( 64) = ( 0.0000000 0.4742132 0.5872288), wk = 0.0039683 k( 65) = ( 0.0000000 0.4793705 0.5697830), wk = 0.0039683 k( 66) = ( 0.0000000 0.4845279 0.5523373), wk = 0.0039683 k( 67) = ( 0.0000000 0.4896853 0.5348915), wk = 0.0039683 k( 68) = ( 0.0000000 0.4948426 0.5174458), wk = 0.0039683 k( 69) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039683 k( 70) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0039683 k( 71) = ( 0.0185185 0.5000000 0.5000000), wk = 0.0039683 k( 72) = ( 0.0370370 0.5000000 0.5000000), wk = 0.0039683 k( 73) = ( 0.0555556 0.5000000 0.5000000), wk = 0.0039683 k( 74) = ( 0.0740741 0.5000000 0.5000000), wk = 0.0039683 k( 75) = ( 0.0925926 0.5000000 0.5000000), wk = 0.0039683 k( 76) = ( 0.1111111 0.5000000 0.5000000), wk = 0.0039683 k( 77) = ( 0.1296296 0.5000000 0.5000000), wk = 0.0039683 k( 78) = ( 0.1481482 0.5000000 0.5000000), wk = 0.0039683 k( 79) = ( 0.1666667 0.5000000 0.5000000), wk = 0.0039683 k( 80) = ( 0.1851852 0.5000000 0.5000000), wk = 0.0039683 k( 81) = ( 0.2037037 0.5000000 0.5000000), wk = 0.0039683 k( 82) = ( 0.2222222 0.5000000 0.5000000), wk = 0.0039683 k( 83) = ( 0.2407407 0.5000000 0.5000000), wk = 0.0039683 k( 84) = ( 0.2592593 0.5000000 0.5000000), wk = 0.0039683 k( 85) = ( 0.2777778 0.5000000 0.5000000), wk = 0.0039683 k( 86) = ( 0.2962963 0.5000000 0.5000000), wk = 0.0039683 k( 87) = ( 0.3148148 0.5000000 0.5000000), wk = 0.0039683 k( 88) = ( 0.3333333 0.5000000 0.5000000), wk = 0.0039683 k( 89) = ( 0.3518519 0.5000000 0.5000000), wk = 0.0039683 k( 90) = ( 0.3703704 0.5000000 0.5000000), wk = 0.0039683 k( 91) = ( 0.3888889 0.5000000 0.5000000), wk = 0.0039683 k( 92) = ( 0.4074074 0.5000000 0.5000000), wk = 0.0039683 k( 93) = ( 0.4259259 0.5000000 0.5000000), wk = 0.0039683 k( 94) = ( 0.4444444 0.5000000 0.5000000), wk = 0.0039683 k( 95) = ( 0.4629630 0.5000000 0.5000000), wk = 0.0039683 k( 96) = ( 0.4814815 0.5000000 0.5000000), wk = 0.0039683 k( 97) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039683 k( 98) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0039683 k( 99) = ( 0.5000000 0.5051574 0.4825542), wk = 0.0039683 k( 100) = ( 0.5000000 0.5103147 0.4651085), wk = 0.0039683 k( 101) = ( 0.5000000 0.5154721 0.4476627), wk = 0.0039683 k( 102) = ( 0.5000000 0.5206295 0.4302170), wk = 0.0039683 k( 103) = ( 0.5000000 0.5257869 0.4127712), wk = 0.0039683 k( 104) = ( 0.5000000 0.5309442 0.3953254), wk = 0.0039683 k( 105) = ( 0.5000000 0.5361016 0.3778797), wk = 0.0039683 k( 106) = ( 0.5000000 0.5412590 0.3604339), wk = 0.0039683 k( 107) = ( 0.5000000 0.5464163 0.3429882), wk = 0.0039683 k( 108) = ( 0.5000000 0.5515737 0.3255424), wk = 0.0039683 k( 109) = ( 0.5000000 0.5567311 0.3080966), wk = 0.0039683 k( 110) = ( 0.5000000 0.5567311 0.3080966), wk = 0.0039683 k( 111) = ( 0.5000000 0.5526789 0.2860897), wk = 0.0039683 k( 112) = ( 0.5000000 0.5486266 0.2640828), wk = 0.0039683 k( 113) = ( 0.5000000 0.5445744 0.2420759), wk = 0.0039683 k( 114) = ( 0.5000000 0.5405222 0.2200690), wk = 0.0039683 k( 115) = ( 0.5000000 0.5364700 0.1980621), wk = 0.0039683 k( 116) = ( 0.5000000 0.5324178 0.1760552), wk = 0.0039683 k( 117) = ( 0.5000000 0.5283655 0.1540483), wk = 0.0039683 k( 118) = ( 0.5000000 0.5243133 0.1320414), wk = 0.0039683 k( 119) = ( 0.5000000 0.5202611 0.1100345), wk = 0.0039683 k( 120) = ( 0.5000000 0.5162089 0.0880276), wk = 0.0039683 k( 121) = ( 0.5000000 0.5121567 0.0660207), wk = 0.0039683 k( 122) = ( 0.5000000 0.5081044 0.0440138), wk = 0.0039683 k( 123) = ( 0.5000000 0.5040522 0.0220069), wk = 0.0039683 k( 124) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039683 k( 125) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0039683 k( 126) = ( 0.4814815 0.5000000 0.0000000), wk = 0.0039683 k( 127) = ( 0.4629630 0.5000000 0.0000000), wk = 0.0039683 k( 128) = ( 0.4444444 0.5000000 0.0000000), wk = 0.0039683 k( 129) = ( 0.4259259 0.5000000 0.0000000), wk = 0.0039683 k( 130) = ( 0.4074074 0.5000000 0.0000000), wk = 0.0039683 k( 131) = ( 0.3888889 0.5000000 0.0000000), wk = 0.0039683 k( 132) = ( 0.3703704 0.5000000 0.0000000), wk = 0.0039683 k( 133) = ( 0.3518519 0.5000000 0.0000000), wk = 0.0039683 k( 134) = ( 0.3333333 0.5000000 -0.0000000), wk = 0.0039683 k( 135) = ( 0.3148148 0.5000000 -0.0000000), wk = 0.0039683 k( 136) = ( 0.2962963 0.5000000 -0.0000000), wk = 0.0039683 k( 137) = ( 0.2777778 0.5000000 -0.0000000), wk = 0.0039683 k( 138) = ( 0.2592593 0.5000000 -0.0000000), wk = 0.0039683 k( 139) = ( 0.2407407 0.5000000 -0.0000000), wk = 0.0039683 k( 140) = ( 0.2222222 0.5000000 -0.0000000), wk = 0.0039683 k( 141) = ( 0.2037037 0.5000000 -0.0000000), wk = 0.0039683 k( 142) = ( 0.1851852 0.5000000 0.0000000), wk = 0.0039683 k( 143) = ( 0.1666667 0.5000000 0.0000000), wk = 0.0039683 k( 144) = ( 0.1481482 0.5000000 0.0000000), wk = 0.0039683 k( 145) = ( 0.1296296 0.5000000 0.0000000), wk = 0.0039683 k( 146) = ( 0.1111111 0.5000000 -0.0000000), wk = 0.0039683 k( 147) = ( 0.0925926 0.5000000 -0.0000000), wk = 0.0039683 k( 148) = ( 0.0740741 0.5000000 -0.0000000), wk = 0.0039683 k( 149) = ( 0.0555556 0.5000000 -0.0000000), wk = 0.0039683 k( 150) = ( 0.0370370 0.5000000 -0.0000000), wk = 0.0039683 k( 151) = ( 0.0185185 0.5000000 -0.0000000), wk = 0.0039683 k( 152) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039683 k( 153) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0039683 k( 154) = ( 0.0000000 0.5040522 0.0220069), wk = 0.0039683 k( 155) = ( 0.0000000 0.5081044 0.0440138), wk = 0.0039683 k( 156) = ( 0.0000000 0.5121567 0.0660207), wk = 0.0039683 k( 157) = ( 0.0000000 0.5162089 0.0880276), wk = 0.0039683 k( 158) = ( 0.0000000 0.5202611 0.1100345), wk = 0.0039683 k( 159) = ( 0.0000000 0.5243133 0.1320414), wk = 0.0039683 k( 160) = ( 0.0000000 0.5283655 0.1540483), wk = 0.0039683 k( 161) = ( 0.0000000 0.5324178 0.1760552), wk = 0.0039683 k( 162) = ( 0.0000000 0.5364700 0.1980621), wk = 0.0039683 k( 163) = ( 0.0000000 0.5405222 0.2200690), wk = 0.0039683 k( 164) = ( 0.0000000 0.5445744 0.2420759), wk = 0.0039683 k( 165) = ( 0.0000000 0.5486266 0.2640828), wk = 0.0039683 k( 166) = ( 0.0000000 0.5526789 0.2860897), wk = 0.0039683 k( 167) = ( 0.0000000 0.5567311 0.3080966), wk = 0.0039683 k( 168) = ( 0.5000000 0.4432689 0.6919034), wk = 0.0039683 k( 169) = ( 0.5000000 0.4289699 0.6857129), wk = 0.0039683 k( 170) = ( 0.5000000 0.4146709 0.6795225), wk = 0.0039683 k( 171) = ( 0.5000000 0.4003719 0.6733321), wk = 0.0039683 k( 172) = ( 0.5000000 0.3860729 0.6671416), wk = 0.0039683 k( 173) = ( 0.5000000 0.3717739 0.6609512), wk = 0.0039683 k( 174) = ( 0.5000000 0.3574750 0.6547608), wk = 0.0039683 k( 175) = ( 0.5000000 0.3431760 0.6485703), wk = 0.0039683 k( 176) = ( 0.5000000 0.3288770 0.6423799), wk = 0.0039683 k( 177) = ( 0.5000000 0.3145780 0.6361895), wk = 0.0039683 k( 178) = ( 0.5000000 0.3002790 0.6299991), wk = 0.0039683 k( 179) = ( 0.5000000 0.2859800 0.6238086), wk = 0.0039683 k( 180) = ( 0.5000000 0.2716810 0.6176182), wk = 0.0039683 k( 181) = ( 0.5000000 0.2573820 0.6114278), wk = 0.0039683 k( 182) = ( 0.5000000 0.2430830 0.6052373), wk = 0.0039683 k( 183) = ( 0.5000000 0.2287840 0.5990469), wk = 0.0039683 k( 184) = ( 0.5000000 0.2144850 0.5928565), wk = 0.0039683 k( 185) = ( 0.5000000 0.2001860 0.5866660), wk = 0.0039683 k( 186) = ( 0.5000000 0.1858870 0.5804756), wk = 0.0039683 k( 187) = ( 0.5000000 0.1715880 0.5742852), wk = 0.0039683 k( 188) = ( 0.5000000 0.1572890 0.5680947), wk = 0.0039683 k( 189) = ( 0.5000000 0.1429900 0.5619043), wk = 0.0039683 k( 190) = ( 0.5000000 0.1286910 0.5557139), wk = 0.0039683 k( 191) = ( 0.5000000 0.1143920 0.5495235), wk = 0.0039683 k( 192) = ( 0.5000000 0.1000930 0.5433330), wk = 0.0039683 k( 193) = ( 0.5000000 0.0857940 0.5371426), wk = 0.0039683 k( 194) = ( 0.5000000 0.0714950 0.5309522), wk = 0.0039683 k( 195) = ( 0.5000000 0.0571960 0.5247617), wk = 0.0039683 k( 196) = ( 0.5000000 0.0428970 0.5185713), wk = 0.0039683 k( 197) = ( 0.5000000 0.0285980 0.5123809), wk = 0.0039683 k( 198) = ( 0.5000000 0.0142990 0.5061904), wk = 0.0039683 k( 199) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0039683 k( 200) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0039683 k( 201) = ( 0.5000000 0.0000000 0.4791667), wk = 0.0039683 k( 202) = ( 0.5000000 0.0000000 0.4583333), wk = 0.0039683 k( 203) = ( 0.5000000 0.0000000 0.4375000), wk = 0.0039683 k( 204) = ( 0.5000000 0.0000000 0.4166667), wk = 0.0039683 k( 205) = ( 0.5000000 0.0000000 0.3958333), wk = 0.0039683 k( 206) = ( 0.5000000 0.0000000 0.3750000), wk = 0.0039683 k( 207) = ( 0.5000000 0.0000000 0.3541667), wk = 0.0039683 k( 208) = ( 0.5000000 0.0000000 0.3333333), wk = 0.0039683 k( 209) = ( 0.5000000 0.0000000 0.3125000), wk = 0.0039683 k( 210) = ( 0.5000000 0.0000000 0.2916667), wk = 0.0039683 k( 211) = ( 0.5000000 0.0000000 0.2708333), wk = 0.0039683 k( 212) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0039683 k( 213) = ( 0.5000000 0.0000000 0.2291667), wk = 0.0039683 k( 214) = ( 0.5000000 0.0000000 0.2083333), wk = 0.0039683 k( 215) = ( 0.5000000 0.0000000 0.1875000), wk = 0.0039683 k( 216) = ( 0.5000000 0.0000000 0.1666667), wk = 0.0039683 k( 217) = ( 0.5000000 0.0000000 0.1458333), wk = 0.0039683 k( 218) = ( 0.5000000 0.0000000 0.1250000), wk = 0.0039683 k( 219) = ( 0.5000000 0.0000000 0.1041667), wk = 0.0039683 k( 220) = ( 0.5000000 0.0000000 0.0833333), wk = 0.0039683 k( 221) = ( 0.5000000 0.0000000 0.0625000), wk = 0.0039683 k( 222) = ( 0.5000000 0.0000000 0.0416667), wk = 0.0039683 k( 223) = ( 0.5000000 0.0000000 0.0208333), wk = 0.0039683 k( 224) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0039683 k( 225) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0039683 k( 226) = ( 0.0185185 0.0000000 0.5000000), wk = 0.0039683 k( 227) = ( 0.0370370 0.0000000 0.5000000), wk = 0.0039683 k( 228) = ( 0.0555556 -0.0000000 0.5000000), wk = 0.0039683 k( 229) = ( 0.0740741 0.0000000 0.5000000), wk = 0.0039683 k( 230) = ( 0.0925926 -0.0000000 0.5000000), wk = 0.0039683 k( 231) = ( 0.1111111 -0.0000000 0.5000000), wk = 0.0039683 k( 232) = ( 0.1296296 -0.0000000 0.5000000), wk = 0.0039683 k( 233) = ( 0.1481482 -0.0000000 0.5000000), wk = 0.0039683 k( 234) = ( 0.1666667 -0.0000000 0.5000000), wk = 0.0039683 k( 235) = ( 0.1851852 0.0000000 0.5000000), wk = 0.0039683 k( 236) = ( 0.2037037 -0.0000000 0.5000000), wk = 0.0039683 k( 237) = ( 0.2222222 -0.0000000 0.5000000), wk = 0.0039683 k( 238) = ( 0.2407407 -0.0000000 0.5000000), wk = 0.0039683 k( 239) = ( 0.2592593 -0.0000000 0.5000000), wk = 0.0039683 k( 240) = ( 0.2777778 -0.0000000 0.5000000), wk = 0.0039683 k( 241) = ( 0.2962963 -0.0000000 0.5000000), wk = 0.0039683 k( 242) = ( 0.3148148 -0.0000000 0.5000000), wk = 0.0039683 k( 243) = ( 0.3333333 0.0000000 0.5000000), wk = 0.0039683 k( 244) = ( 0.3518519 -0.0000000 0.5000000), wk = 0.0039683 k( 245) = ( 0.3703704 -0.0000000 0.5000000), wk = 0.0039683 k( 246) = ( 0.3888889 -0.0000000 0.5000000), wk = 0.0039683 k( 247) = ( 0.4074074 -0.0000000 0.5000000), wk = 0.0039683 k( 248) = ( 0.4259259 0.0000000 0.5000000), wk = 0.0039683 k( 249) = ( 0.4444444 -0.0000000 0.5000000), wk = 0.0039683 k( 250) = ( 0.4629630 -0.0000000 0.5000000), wk = 0.0039683 k( 251) = ( 0.4814815 -0.0000000 0.5000000), wk = 0.0039683 k( 252) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0039683 Dense grid: 124669 G-vectors FFT dimensions: ( 72, 54, 80) Smooth grid: 55117 G-vectors FFT dimensions: ( 50, 40, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.49 Mb ( 388, 82) NL pseudopotentials 0.66 Mb ( 194, 222) Each V/rho on FFT grid 0.18 Mb ( 11664) Each G-vector array 0.03 Mb ( 3464) G-vector shells 0.02 Mb ( 3264) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.94 Mb ( 388, 328) Each subspace H/S matrix 0.10 Mb ( 82, 82) Each matrix 0.56 Mb ( 222, 2, 82) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./BaTeO3.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.6 secs Computing kpt #: 2 total cpu time spent up to now is 6.5 secs Computing kpt #: 3 total cpu time spent up to now is 8.4 secs Computing kpt #: 4 total cpu time spent up to now is 10.3 secs Computing kpt #: 5 total cpu time spent up to now is 12.2 secs Computing kpt #: 6 total cpu time spent up to now is 14.2 secs Computing kpt #: 7 total cpu time spent up to now is 16.2 secs Computing kpt #: 8 total cpu time spent up to now is 18.3 secs Computing kpt #: 9 total cpu time spent up to now is 20.4 secs Computing kpt #: 10 total cpu time spent up to now is 22.5 secs Computing kpt #: 11 total cpu time spent up to now is 24.6 secs Computing kpt #: 12 total cpu time spent up to now is 26.6 secs Computing kpt #: 13 total cpu time spent up to now is 28.5 secs Computing kpt #: 14 total cpu time spent up to now is 30.3 secs Computing kpt #: 15 total cpu time spent up to now is 32.2 secs Computing kpt #: 16 total cpu time spent up to now is 34.2 secs Computing kpt #: 17 total cpu time spent up to now is 36.0 secs Computing kpt #: 18 total cpu time spent up to now is 37.9 secs Computing kpt #: 19 total cpu time spent up to now is 39.8 secs Computing kpt #: 20 total cpu time spent up to now is 41.7 secs Computing kpt #: 21 total cpu time spent up to now is 43.6 secs Computing kpt #: 22 total cpu time spent up to now is 45.5 secs Computing kpt #: 23 total cpu time spent up to now is 47.4 secs Computing kpt #: 24 total cpu time spent up to now is 49.3 secs Computing kpt #: 25 total cpu time spent up to now is 51.3 secs Computing kpt #: 26 total cpu time spent up to now is 53.3 secs Computing kpt #: 27 total cpu time spent up to now is 55.1 secs Computing kpt #: 28 total cpu time spent up to now is 57.1 secs Computing kpt #: 29 total cpu time spent up to now is 59.1 secs Computing kpt #: 30 total cpu time spent up to now is 61.1 secs Computing kpt #: 31 total cpu time spent up to now is 63.0 secs Computing kpt #: 32 total cpu time spent up to now is 65.0 secs Computing kpt #: 33 total cpu time spent up to now is 66.9 secs Computing kpt #: 34 total cpu time spent up to now is 68.8 secs Computing kpt #: 35 total cpu time spent up to now is 70.7 secs Computing kpt #: 36 total cpu time spent up to now is 72.6 secs Computing kpt #: 37 total cpu time spent up to now is 74.5 secs Computing kpt #: 38 total cpu time spent up to now is 76.3 secs Computing kpt #: 39 total cpu time spent up to now is 78.2 secs Computing kpt #: 40 total cpu time spent up to now is 80.0 secs Computing kpt #: 41 total cpu time spent up to now is 81.9 secs Computing kpt #: 42 total cpu time spent up to now is 83.8 secs Computing kpt #: 43 total cpu time spent up to now is 85.7 secs Computing kpt #: 44 total cpu time spent up to now is 87.7 secs Computing kpt #: 45 total cpu time spent up to now is 89.7 secs Computing kpt #: 46 total cpu time spent up to now is 92.4 secs Computing kpt #: 47 total cpu time spent up to now is 95.3 secs Computing kpt #: 48 total cpu time spent up to now is 98.3 secs Computing kpt #: 49 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 101.5 secs Computing kpt #: 50 total cpu time spent up to now is 104.2 secs Computing kpt #: 51 total cpu time spent up to now is 106.9 secs Computing kpt #: 52 total cpu time spent up to now is 109.5 secs Computing kpt #: 53 total cpu time spent up to now is 112.0 secs Computing kpt #: 54 total cpu time spent up to now is 114.4 secs Computing kpt #: 55 total cpu time spent up to now is 116.8 secs Computing kpt #: 56 total cpu time spent up to now is 118.9 secs Computing kpt #: 57 total cpu time spent up to now is 121.1 secs Computing kpt #: 58 total cpu time spent up to now is 123.2 secs Computing kpt #: 59 total cpu time spent up to now is 125.5 secs Computing kpt #: 60 total cpu time spent up to now is 127.9 secs Computing kpt #: 61 total cpu time spent up to now is 130.5 secs Computing kpt #: 62 total cpu time spent up to now is 133.2 secs Computing kpt #: 63 total cpu time spent up to now is 135.8 secs Computing kpt #: 64 total cpu time spent up to now is 138.1 secs Computing kpt #: 65 total cpu time spent up to now is 140.7 secs Computing kpt #: 66 total cpu time spent up to now is 143.1 secs Computing kpt #: 67 total cpu time spent up to now is 145.8 secs Computing kpt #: 68 total cpu time spent up to now is 148.2 secs Computing kpt #: 69 total cpu time spent up to now is 150.7 secs Computing kpt #: 70 total cpu time spent up to now is 153.4 secs Computing kpt #: 71 total cpu time spent up to now is 155.7 secs Computing kpt #: 72 total cpu time spent up to now is 158.1 secs Computing kpt #: 73 total cpu time spent up to now is 160.8 secs Computing kpt #: 74 total cpu time spent up to now is 163.4 secs Computing kpt #: 75 total cpu time spent up to now is 165.9 secs Computing kpt #: 76 total cpu time spent up to now is 168.2 secs Computing kpt #: 77 total cpu time spent up to now is 170.6 secs Computing kpt #: 78 total cpu time spent up to now is 173.0 secs Computing kpt #: 79 total cpu time spent up to now is 175.3 secs Computing kpt #: 80 total cpu time spent up to now is 177.6 secs Computing kpt #: 81 total cpu time spent up to now is 179.6 secs Computing kpt #: 82 total cpu time spent up to now is 181.9 secs Computing kpt #: 83 total cpu time spent up to now is 183.9 secs Computing kpt #: 84 total cpu time spent up to now is 185.8 secs Computing kpt #: 85 total cpu time spent up to now is 188.0 secs Computing kpt #: 86 total cpu time spent up to now is 190.0 secs Computing kpt #: 87 total cpu time spent up to now is 192.0 secs Computing kpt #: 88 total cpu time spent up to now is 194.1 secs Computing kpt #: 89 total cpu time spent up to now is 196.5 secs Computing kpt #: 90 total cpu time spent up to now is 198.7 secs Computing kpt #: 91 total cpu time spent up to now is 200.8 secs Computing kpt #: 92 total cpu time spent up to now is 203.8 secs Computing kpt #: 93 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 207.0 secs Computing kpt #: 94 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 210.1 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 213.3 secs Computing kpt #: 96 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 216.6 secs Computing kpt #: 97 total cpu time spent up to now is 218.0 secs Computing kpt #: 98 total cpu time spent up to now is 219.5 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 222.8 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 226.0 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 229.3 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 232.5 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 235.7 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 239.0 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 242.2 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 245.4 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 248.7 secs Computing kpt #: 108 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 251.9 secs Computing kpt #: 109 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 255.2 secs Computing kpt #: 110 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 258.4 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 261.7 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 264.9 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 268.1 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 271.4 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 274.6 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 277.9 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 281.1 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 284.4 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 287.6 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 290.9 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 294.1 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 297.4 secs Computing kpt #: 123 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 300.5 secs Computing kpt #: 124 total cpu time spent up to now is 302.1 secs Computing kpt #: 125 total cpu time spent up to now is 303.6 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 306.8 secs Computing kpt #: 127 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 310.0 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 313.2 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 316.5 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 319.8 secs Computing kpt #: 131 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 323.0 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 326.3 secs Computing kpt #: 133 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 329.6 secs Computing kpt #: 134 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 332.8 secs Computing kpt #: 135 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 336.0 secs Computing kpt #: 136 total cpu time spent up to now is 338.7 secs Computing kpt #: 137 total cpu time spent up to now is 340.9 secs Computing kpt #: 138 total cpu time spent up to now is 342.7 secs Computing kpt #: 139 total cpu time spent up to now is 344.6 secs Computing kpt #: 140 total cpu time spent up to now is 346.5 secs Computing kpt #: 141 total cpu time spent up to now is 348.4 secs Computing kpt #: 142 total cpu time spent up to now is 350.1 secs Computing kpt #: 143 total cpu time spent up to now is 351.9 secs Computing kpt #: 144 total cpu time spent up to now is 353.5 secs Computing kpt #: 145 total cpu time spent up to now is 355.0 secs Computing kpt #: 146 total cpu time spent up to now is 356.5 secs Computing kpt #: 147 total cpu time spent up to now is 358.0 secs Computing kpt #: 148 total cpu time spent up to now is 359.4 secs Computing kpt #: 149 total cpu time spent up to now is 360.8 secs Computing kpt #: 150 total cpu time spent up to now is 362.2 secs Computing kpt #: 151 total cpu time spent up to now is 363.6 secs Computing kpt #: 152 total cpu time spent up to now is 365.0 secs Computing kpt #: 153 total cpu time spent up to now is 366.4 secs Computing kpt #: 154 total cpu time spent up to now is 367.9 secs Computing kpt #: 155 total cpu time spent up to now is 369.3 secs Computing kpt #: 156 total cpu time spent up to now is 370.8 secs Computing kpt #: 157 total cpu time spent up to now is 372.4 secs Computing kpt #: 158 total cpu time spent up to now is 373.9 secs Computing kpt #: 159 total cpu time spent up to now is 375.5 secs Computing kpt #: 160 total cpu time spent up to now is 377.1 secs Computing kpt #: 161 total cpu time spent up to now is 378.8 secs Computing kpt #: 162 total cpu time spent up to now is 380.6 secs Computing kpt #: 163 total cpu time spent up to now is 382.3 secs Computing kpt #: 164 total cpu time spent up to now is 384.2 secs Computing kpt #: 165 total cpu time spent up to now is 386.0 secs Computing kpt #: 166 total cpu time spent up to now is 388.0 secs Computing kpt #: 167 total cpu time spent up to now is 390.1 secs Computing kpt #: 168 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 393.3 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 396.6 secs Computing kpt #: 170 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 399.9 secs Computing kpt #: 171 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 403.1 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 406.4 secs Computing kpt #: 173 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 409.7 secs Computing kpt #: 174 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 412.9 secs Computing kpt #: 175 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 416.2 secs Computing kpt #: 176 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 419.5 secs Computing kpt #: 177 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 422.8 secs Computing kpt #: 178 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 426.2 secs Computing kpt #: 179 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 429.5 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 432.9 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 436.2 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 439.6 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 443.0 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 446.3 secs Computing kpt #: 185 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 449.7 secs Computing kpt #: 186 total cpu time spent up to now is 452.9 secs Computing kpt #: 187 total cpu time spent up to now is 455.7 secs Computing kpt #: 188 total cpu time spent up to now is 458.7 secs Computing kpt #: 189 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 462.3 secs Computing kpt #: 190 total cpu time spent up to now is 466.9 secs Computing kpt #: 191 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 470.3 secs Computing kpt #: 192 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 473.7 secs Computing kpt #: 193 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 477.0 secs Computing kpt #: 194 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 480.4 secs Computing kpt #: 195 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 483.8 secs Computing kpt #: 196 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 487.2 secs Computing kpt #: 197 total cpu time spent up to now is 489.9 secs Computing kpt #: 198 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 493.3 secs Computing kpt #: 199 total cpu time spent up to now is 495.2 secs Computing kpt #: 200 total cpu time spent up to now is 497.2 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 500.5 secs Computing kpt #: 202 total cpu time spent up to now is 503.8 secs Computing kpt #: 203 total cpu time spent up to now is 506.3 secs Computing kpt #: 204 total cpu time spent up to now is 508.6 secs Computing kpt #: 205 total cpu time spent up to now is 511.1 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 514.5 secs Computing kpt #: 207 total cpu time spent up to now is 516.9 secs Computing kpt #: 208 total cpu time spent up to now is 519.3 secs Computing kpt #: 209 total cpu time spent up to now is 521.7 secs Computing kpt #: 210 total cpu time spent up to now is 524.2 secs Computing kpt #: 211 total cpu time spent up to now is 526.6 secs Computing kpt #: 212 total cpu time spent up to now is 529.0 secs Computing kpt #: 213 total cpu time spent up to now is 531.1 secs Computing kpt #: 214 total cpu time spent up to now is 533.3 secs Computing kpt #: 215 total cpu time spent up to now is 535.5 secs Computing kpt #: 216 total cpu time spent up to now is 537.6 secs Computing kpt #: 217 total cpu time spent up to now is 539.8 secs Computing kpt #: 218 total cpu time spent up to now is 541.9 secs Computing kpt #: 219 total cpu time spent up to now is 544.0 secs Computing kpt #: 220 total cpu time spent up to now is 546.1 secs Computing kpt #: 221 total cpu time spent up to now is 548.2 secs Computing kpt #: 222 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 551.5 secs Computing kpt #: 223 total cpu time spent up to now is 553.6 secs Computing kpt #: 224 total cpu time spent up to now is 555.7 secs Computing kpt #: 225 total cpu time spent up to now is 557.6 secs Computing kpt #: 226 total cpu time spent up to now is 559.6 secs Computing kpt #: 227 total cpu time spent up to now is 561.6 secs Computing kpt #: 228 total cpu time spent up to now is 563.4 secs Computing kpt #: 229 total cpu time spent up to now is 565.3 secs Computing kpt #: 230 total cpu time spent up to now is 567.2 secs Computing kpt #: 231 total cpu time spent up to now is 569.1 secs Computing kpt #: 232 total cpu time spent up to now is 571.0 secs Computing kpt #: 233 total cpu time spent up to now is 572.9 secs Computing kpt #: 234 total cpu time spent up to now is 574.8 secs Computing kpt #: 235 total cpu time spent up to now is 576.6 secs Computing kpt #: 236 total cpu time spent up to now is 578.5 secs Computing kpt #: 237 total cpu time spent up to now is 580.4 secs Computing kpt #: 238 total cpu time spent up to now is 582.3 secs Computing kpt #: 239 total cpu time spent up to now is 584.2 secs Computing kpt #: 240 total cpu time spent up to now is 586.0 secs Computing kpt #: 241 total cpu time spent up to now is 587.9 secs Computing kpt #: 242 total cpu time spent up to now is 589.8 secs Computing kpt #: 243 total cpu time spent up to now is 591.9 secs Computing kpt #: 244 total cpu time spent up to now is 594.0 secs Computing kpt #: 245 total cpu time spent up to now is 596.5 secs Computing kpt #: 246 total cpu time spent up to now is 598.9 secs Computing kpt #: 247 total cpu time spent up to now is 601.7 secs Computing kpt #: 248 total cpu time spent up to now is 604.6 secs Computing kpt #: 249 total cpu time spent up to now is 607.4 secs Computing kpt #: 250 total cpu time spent up to now is 609.7 secs Computing kpt #: 251 total cpu time spent up to now is 612.1 secs Computing kpt #: 252 total cpu time spent up to now is 614.0 secs ethr = 1.47E-08, avg # of iterations = 73.7 total cpu time spent up to now is 614.0 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 6913 PWs) bands (ev): -19.1485 -19.1485 -19.0952 -19.0952 -12.5534 -12.5534 -12.4606 -12.4606 -10.9080 -10.9080 -10.7159 -10.7159 -10.6492 -10.6492 -10.5882 -10.5882 -5.7302 -5.7302 -5.6834 -5.6834 -3.9129 -3.9129 -3.7100 -3.7100 -3.6849 -3.6849 -3.6341 -3.6341 -2.4751 -2.4751 -2.1710 -2.1710 1.1338 1.1338 1.2332 1.2332 1.4128 1.4128 1.7100 1.7100 2.4121 2.4121 2.9114 2.9114 3.8988 3.8988 3.9026 3.9026 4.2748 4.2748 4.2862 4.2862 4.6350 4.6350 4.8031 4.8031 5.0617 5.0617 5.1030 5.1030 5.1580 5.1580 5.2199 5.2199 5.2580 5.2580 5.4036 5.4036 9.4159 9.4159 10.8821 10.8821 11.1437 11.1437 11.7091 11.7091 12.2658 12.2658 12.3769 12.3769 12.5290 12.5290 k = 0.0000 0.0000 0.0182 ( 6903 PWs) bands (ev): -19.1484 -19.1484 -19.0952 -19.0952 -12.5536 -12.5536 -12.4606 -12.4606 -10.9079 -10.9079 -10.7160 -10.7160 -10.6490 -10.6490 -10.5881 -10.5881 -5.7302 -5.7302 -5.6834 -5.6834 -3.9128 -3.9128 -3.7099 -3.7099 -3.6849 -3.6849 -3.6342 -3.6342 -2.4753 -2.4753 -2.1709 -2.1709 1.1341 1.1341 1.2333 1.2333 1.4135 1.4135 1.7088 1.7088 2.4113 2.4113 2.9106 2.9106 3.9000 3.9000 3.9023 3.9023 4.2751 4.2751 4.2874 4.2874 4.6350 4.6350 4.8035 4.8035 5.0614 5.0614 5.0993 5.0993 5.1602 5.1602 5.2197 5.2197 5.2578 5.2578 5.4044 5.4044 9.4165 9.4165 10.8792 10.8792 11.1453 11.1453 11.7090 11.7090 12.2661 12.2661 12.3727 12.3727 12.5363 12.5363 k = 0.0000 0.0000 0.0363 ( 6910 PWs) bands (ev): -19.1484 -19.1484 -19.0952 -19.0952 -12.5542 -12.5542 -12.4607 -12.4607 -10.9075 -10.9075 -10.7163 -10.7163 -10.6482 -10.6482 -10.5878 -10.5878 -5.7303 -5.7303 -5.6835 -5.6835 -3.9127 -3.9127 -3.7097 -3.7097 -3.6848 -3.6848 -3.6346 -3.6346 -2.4758 -2.4758 -2.1707 -2.1707 1.1348 1.1348 1.2339 1.2339 1.4155 1.4155 1.7055 1.7055 2.4089 2.4089 2.9079 2.9079 3.9011 3.9011 3.9041 3.9041 4.2761 4.2761 4.2911 4.2911 4.6352 4.6352 4.8046 4.8046 5.0603 5.0603 5.0900 5.0900 5.1651 5.1651 5.2193 5.2193 5.2572 5.2572 5.4068 5.4068 9.4183 9.4183 10.8707 10.8707 11.1496 11.1496 11.7089 11.7089 12.2660 12.2660 12.3635 12.3635 12.5554 12.5554 k = 0.0000 0.0000 0.0545 ( 6908 PWs) bands (ev): -19.1482 -19.1482 -19.0953 -19.0953 -12.5551 -12.5551 -12.4608 -12.4608 -10.9069 -10.9069 -10.7169 -10.7169 -10.6470 -10.6470 -10.5873 -10.5873 -5.7306 -5.7306 -5.6836 -5.6836 -3.9124 -3.9124 -3.7095 -3.7095 -3.6846 -3.6846 -3.6351 -3.6351 -2.4767 -2.4767 -2.1705 -2.1705 1.1359 1.1359 1.2348 1.2348 1.4187 1.4187 1.7000 1.7000 2.4049 2.4049 2.9037 2.9037 3.8997 3.8997 3.9101 3.9101 4.2778 4.2778 4.2970 4.2970 4.6354 4.6354 4.8064 4.8064 5.0581 5.0581 5.0780 5.0780 5.1703 5.1703 5.2186 5.2186 5.2562 5.2562 5.4108 5.4108 9.4214 9.4214 10.8575 10.8575 11.1562 11.1562 11.7087 11.7087 12.2626 12.2626 12.3566 12.3566 12.5821 12.5821 k = 0.0000 0.0000 0.0727 ( 6908 PWs) bands (ev): -19.1481 -19.1481 -19.0955 -19.0955 -12.5565 -12.5565 -12.4610 -12.4610 -10.9062 -10.9062 -10.7177 -10.7177 -10.6453 -10.6453 -10.5867 -10.5867 -5.7309 -5.7309 -5.6837 -5.6837 -3.9121 -3.9121 -3.7091 -3.7091 -3.6844 -3.6844 -3.6360 -3.6360 -2.4779 -2.4779 -2.1701 -2.1701 1.1373 1.1373 1.2361 1.2361 1.4233 1.4233 1.6926 1.6926 2.3994 2.3994 2.8979 2.8979 3.8976 3.8976 3.9183 3.9183 4.2800 4.2800 4.3051 4.3051 4.6358 4.6358 4.8090 4.8090 5.0531 5.0531 5.0667 5.0667 5.1744 5.1744 5.2175 5.2175 5.2547 5.2547 5.4161 5.4161 9.4255 9.4255 10.8404 10.8404 11.1644 11.1644 11.7085 11.7085 12.2529 12.2529 12.3576 12.3576 12.6130 12.6130 k = 0.0000 0.0000 0.0908 ( 6908 PWs) bands (ev): -19.1478 -19.1478 -19.0956 -19.0956 -12.5582 -12.5582 -12.4612 -12.4612 -10.9051 -10.9051 -10.7188 -10.7188 -10.6432 -10.6432 -10.5858 -10.5858 -5.7313 -5.7313 -5.6838 -5.6838 -3.9116 -3.9116 -3.7085 -3.7085 -3.6841 -3.6841 -3.6370 -3.6370 -2.4795 -2.4795 -2.1696 -2.1696 1.1390 1.1390 1.2378 1.2378 1.4291 1.4291 1.6835 1.6835 2.3923 2.3923 2.8907 2.8907 3.8951 3.8951 3.9286 3.9286 4.2828 4.2828 4.3152 4.3152 4.6363 4.6363 4.8123 4.8123 5.0422 5.0422 5.0601 5.0601 5.1767 5.1767 5.2161 5.2161 5.2528 5.2528 5.4227 5.4227 9.4308 9.4308 10.8206 10.8206 11.1737 11.1737 11.7083 11.7083 12.2373 12.2373 12.3668 12.3668 12.6464 12.6464 k = 0.0000 0.0000 0.1090 ( 6902 PWs) bands (ev): -19.1476 -19.1476 -19.0959 -19.0959 -12.5601 -12.5601 -12.4615 -12.4615 -10.9039 -10.9039 -10.7200 -10.7200 -10.6407 -10.6407 -10.5848 -10.5848 -5.7317 -5.7317 -5.6840 -5.6840 -3.9110 -3.9110 -3.7079 -3.7079 -3.6837 -3.6837 -3.6382 -3.6382 -2.4813 -2.4813 -2.1690 -2.1690 1.1408 1.1408 1.2400 1.2400 1.4361 1.4361 1.6730 1.6730 2.3837 2.3837 2.8823 2.8823 3.8921 3.8921 3.9405 3.9405 4.2860 4.2860 4.3269 4.3269 4.6368 4.6368 4.8165 4.8165 5.0281 5.0281 5.0563 5.0563 5.1772 5.1772 5.2144 5.2144 5.2505 5.2505 5.4302 5.4302 9.4370 9.4370 10.7989 10.7989 11.1835 11.1835 11.7083 11.7083 12.2186 12.2186 12.3820 12.3820 12.6812 12.6812 k = 0.0000 0.0000 0.1272 ( 6909 PWs) bands (ev): -19.1473 -19.1473 -19.0961 -19.0961 -12.5623 -12.5623 -12.4619 -12.4619 -10.9025 -10.9025 -10.7214 -10.7214 -10.6378 -10.6378 -10.5837 -10.5837 -5.7322 -5.7322 -5.6842 -5.6842 -3.9104 -3.9104 -3.7073 -3.7073 -3.6833 -3.6833 -3.6396 -3.6396 -2.4833 -2.4833 -2.1684 -2.1684 1.1425 1.1425 1.2425 1.2425 1.4442 1.4442 1.6616 1.6616 2.3736 2.3736 2.8730 2.8730 3.8887 3.8887 3.9538 3.9538 4.2896 4.2896 4.3400 4.3400 4.6374 4.6374 4.8216 4.8216 5.0134 5.0134 5.0529 5.0529 5.1760 5.1760 5.2122 5.2122 5.2476 5.2476 5.4383 5.4383 9.4441 9.4441 10.7761 10.7761 11.1935 11.1935 11.7084 11.7084 12.1988 12.1988 12.4006 12.4006 12.7167 12.7167 k = 0.0000 0.0000 0.1453 ( 6909 PWs) bands (ev): -19.1469 -19.1469 -19.0964 -19.0964 -12.5648 -12.5648 -12.4623 -12.4623 -10.9009 -10.9009 -10.7230 -10.7230 -10.6346 -10.6346 -10.5825 -10.5825 -5.7328 -5.7328 -5.6845 -5.6845 -3.9096 -3.9096 -3.7065 -3.7065 -3.6829 -3.6829 -3.6412 -3.6412 -2.4855 -2.4855 -2.1677 -2.1677 1.1441 1.1441 1.2455 1.2455 1.4533 1.4533 1.6496 1.6496 2.3621 2.3621 2.8629 2.8629 3.8851 3.8851 3.9680 3.9680 4.2934 4.2934 4.3544 4.3544 4.6382 4.6382 4.8274 4.8274 4.9991 4.9991 5.0495 5.0495 5.1733 5.1733 5.2096 5.2096 5.2443 5.2443 5.4467 5.4467 9.4519 9.4519 10.7528 10.7528 11.2037 11.2037 11.7088 11.7088 12.1791 12.1791 12.4211 12.4211 12.7513 12.7513 k = 0.0000 0.0000 0.1635 ( 6914 PWs) bands (ev): -19.1466 -19.1466 -19.0966 -19.0966 -12.5674 -12.5674 -12.4627 -12.4627 -10.8992 -10.8992 -10.7248 -10.7248 -10.6311 -10.6311 -10.5812 -10.5812 -5.7333 -5.7333 -5.6848 -5.6848 -3.9088 -3.9088 -3.7057 -3.7057 -3.6825 -3.6825 -3.6430 -3.6430 -2.4879 -2.4879 -2.1670 -2.1670 1.1455 1.1455 1.2486 1.2486 1.4632 1.4632 1.6376 1.6376 2.3492 2.3492 2.8522 2.8522 3.8812 3.8812 3.9829 3.9829 4.2974 4.2974 4.3697 4.3697 4.6390 4.6390 4.8340 4.8340 4.9856 4.9856 5.0460 5.0460 5.1693 5.1693 5.2066 5.2066 5.2407 5.2407 5.4549 5.4549 9.4603 9.4603 10.7296 10.7296 11.2138 11.2138 11.7096 11.7096 12.1600 12.1600 12.4426 12.4426 12.7816 12.7816 k = 0.0000 0.0000 0.1817 ( 6907 PWs) bands (ev): -19.1462 -19.1462 -19.0970 -19.0970 -12.5701 -12.5701 -12.4632 -12.4632 -10.8973 -10.8973 -10.7267 -10.7267 -10.6274 -10.6274 -10.5799 -10.5799 -5.7339 -5.7339 -5.6851 -5.6851 -3.9078 -3.9078 -3.7049 -3.7049 -3.6820 -3.6820 -3.6448 -3.6448 -2.4904 -2.4904 -2.1663 -2.1663 1.1466 1.1466 1.2520 1.2520 1.4733 1.4733 1.6263 1.6263 2.3350 2.3350 2.8413 2.8413 3.8772 3.8772 3.9979 3.9979 4.3015 4.3015 4.3859 4.3859 4.6399 4.6399 4.8412 4.8412 4.9732 4.9732 5.0423 5.0423 5.1641 5.1641 5.2034 5.2034 5.2367 5.2367 5.4627 5.4627 9.4692 9.4692 10.7070 10.7070 11.2239 11.2239 11.7109 11.7109 12.1418 12.1418 12.4642 12.4642 12.7966 12.7966 k = 0.0000 0.0000 0.1998 ( 6898 PWs) bands (ev): -19.1458 -19.1458 -19.0973 -19.0973 -12.5729 -12.5729 -12.4637 -12.4637 -10.8953 -10.8953 -10.7287 -10.7287 -10.6236 -10.6236 -10.5786 -10.5786 -5.7345 -5.7345 -5.6855 -5.6855 -3.9068 -3.9068 -3.7041 -3.7041 -3.6815 -3.6815 -3.6468 -3.6468 -2.4929 -2.4929 -2.1655 -2.1655 1.1473 1.1473 1.2555 1.2555 1.4832 1.4832 1.6166 1.6166 2.3196 2.3196 2.8302 2.8302 3.8732 3.8732 4.0127 4.0127 4.3055 4.3055 4.4026 4.4026 4.6409 4.6409 4.8489 4.8489 4.9621 4.9621 5.0385 5.0385 5.1580 5.1580 5.1998 5.1998 5.2325 5.2325 5.4699 5.4699 9.4785 9.4785 10.6852 10.6852 11.2339 11.2339 11.7126 11.7126 12.1246 12.1246 12.4856 12.4856 12.7918 12.7918 k = 0.0000 0.0000 0.2180 ( 6902 PWs) bands (ev): -19.1453 -19.1453 -19.0976 -19.0976 -12.5757 -12.5757 -12.4643 -12.4643 -10.8932 -10.8932 -10.7308 -10.7308 -10.6196 -10.6196 -10.5773 -10.5773 -5.7350 -5.7350 -5.6859 -5.6859 -3.9057 -3.9057 -3.7032 -3.7032 -3.6810 -3.6810 -3.6489 -3.6489 -2.4955 -2.4955 -2.1648 -2.1648 1.1477 1.1477 1.2590 1.2590 1.4919 1.4919 1.6097 1.6097 2.3032 2.3032 2.8193 2.8193 3.8691 3.8691 4.0270 4.0270 4.3094 4.3094 4.4198 4.4198 4.6420 4.6420 4.8567 4.8567 4.9526 4.9526 5.0347 5.0347 5.1510 5.1510 5.1962 5.1962 5.2282 5.2282 5.4762 5.4762 9.4879 9.4879 10.6645 10.6645 11.2438 11.2438 11.7148 11.7148 12.1083 12.1083 12.5063 12.5063 12.7799 12.7799 k = 0.0000 0.0000 0.2362 ( 6902 PWs) bands (ev): -19.1449 -19.1449 -19.0980 -19.0980 -12.5784 -12.5784 -12.4649 -12.4649 -10.8911 -10.8911 -10.7330 -10.7330 -10.6156 -10.6156 -10.5760 -10.5760 -5.7356 -5.7356 -5.6863 -5.6863 -3.9046 -3.9046 -3.7024 -3.7024 -3.6805 -3.6805 -3.6509 -3.6509 -2.4980 -2.4980 -2.1641 -2.1641 1.1478 1.1478 1.2623 1.2623 1.4981 1.4981 1.6069 1.6069 2.2858 2.2858 2.8085 2.8085 3.8652 3.8652 4.0405 4.0405 4.3131 4.3131 4.4372 4.4372 4.6432 4.6432 4.8643 4.8643 4.9451 4.9451 5.0309 5.0309 5.1433 5.1433 5.1925 5.1925 5.2239 5.2239 5.4816 5.4816 9.4973 9.4973 10.6451 10.6451 11.2537 11.2537 11.7176 11.7176 12.0930 12.0930 12.5263 12.5263 12.7671 12.7671 k = 0.0000 0.0000 0.2543 ( 6898 PWs) bands (ev): -19.1445 -19.1445 -19.0983 -19.0983 -12.5811 -12.5811 -12.4655 -12.4655 -10.8889 -10.8889 -10.7352 -10.7352 -10.6116 -10.6116 -10.5749 -10.5749 -5.7361 -5.7361 -5.6867 -5.6867 -3.9035 -3.9035 -3.7016 -3.7016 -3.6800 -3.6800 -3.6530 -3.6530 -2.5004 -2.5004 -2.1635 -2.1635 1.1475 1.1475 1.2654 1.2654 1.5007 1.5007 1.6093 1.6093 2.2677 2.2677 2.7982 2.7982 3.8613 3.8613 4.0528 4.0528 4.3165 4.3165 4.4547 4.4547 4.6444 4.6444 4.8712 4.8712 4.9399 4.9399 5.0271 5.0271 5.1350 5.1350 5.1888 5.1888 5.2197 5.2197 5.4860 5.4860 9.5065 9.5065 10.6273 10.6273 11.2636 11.2636 11.7207 11.7207 12.0787 12.0787 12.5452 12.5452 12.7552 12.7552 k = 0.0000 0.0000 0.2725 ( 6898 PWs) bands (ev): -19.1441 -19.1441 -19.0987 -19.0987 -12.5837 -12.5837 -12.4661 -12.4661 -10.8868 -10.8868 -10.7374 -10.7374 -10.6076 -10.6076 -10.5738 -10.5738 -5.7366 -5.7366 -5.6871 -5.6871 -3.9023 -3.9023 -3.7009 -3.7009 -3.6795 -3.6795 -3.6550 -3.6550 -2.5028 -2.5028 -2.1629 -2.1629 1.1468 1.1468 1.2682 1.2682 1.4999 1.4999 1.6169 1.6169 2.2490 2.2490 2.7885 2.7885 3.8577 3.8577 4.0640 4.0640 4.3197 4.3197 4.4720 4.4720 4.6457 4.6457 4.8767 4.8767 4.9376 4.9376 5.0235 5.0235 5.1263 5.1263 5.1853 5.1853 5.2156 5.2156 5.4895 5.4895 9.5154 9.5154 10.6111 10.6111 11.2733 11.2733 11.7240 11.7240 12.0653 12.0653 12.5629 12.5629 12.7449 12.7449 k = 0.0000 0.0000 0.2907 ( 6898 PWs) bands (ev): -19.1437 -19.1437 -19.0990 -19.0990 -12.5861 -12.5861 -12.4666 -12.4666 -10.8847 -10.8847 -10.7395 -10.7395 -10.6038 -10.6038 -10.5730 -10.5730 -5.7370 -5.7370 -5.6876 -5.6876 -3.9012 -3.9012 -3.7002 -3.7002 -3.6790 -3.6790 -3.6570 -3.6570 -2.5049 -2.5049 -2.1623 -2.1623 1.1460 1.1460 1.2706 1.2706 1.4965 1.4965 1.6286 1.6286 2.2301 2.2301 2.7795 2.7795 3.8543 3.8543 4.0738 4.0738 4.3225 4.3225 4.4888 4.4888 4.6471 4.6471 4.8804 4.8804 4.9383 4.9383 5.0200 5.0200 5.1171 5.1171 5.1819 5.1819 5.2117 5.2117 5.4919 5.4919 9.5239 9.5239 10.5966 10.5966 11.2828 11.2828 11.7274 11.7274 12.0531 12.0531 12.5791 12.5791 12.7363 12.7363 k = 0.0000 0.0000 0.3089 ( 6893 PWs) bands (ev): -19.1433 -19.1433 -19.0993 -19.0993 -12.5884 -12.5884 -12.4672 -12.4672 -10.8827 -10.8827 -10.7415 -10.7415 -10.6001 -10.6001 -10.5723 -10.5723 -5.7374 -5.7374 -5.6880 -5.6880 -3.9001 -3.9001 -3.6996 -3.6996 -3.6785 -3.6785 -3.6589 -3.6589 -2.5070 -2.5070 -2.1618 -2.1618 1.1449 1.1449 1.2728 1.2728 1.4918 1.4918 1.6428 1.6428 2.2113 2.2113 2.7712 2.7712 3.8512 3.8512 4.0822 4.0822 4.3250 4.3250 4.5047 4.5047 4.6485 4.6485 4.8823 4.8823 4.9420 4.9420 5.0168 5.0168 5.1077 5.1077 5.1787 5.1787 5.2082 5.2082 5.4936 5.4936 9.5317 9.5317 10.5838 10.5838 11.2920 11.2920 11.7305 11.7305 12.0421 12.0421 12.5936 12.5936 12.7298 12.7298 k = 0.0000 0.0000 0.3270 ( 6900 PWs) bands (ev): -19.1429 -19.1429 -19.0996 -19.0996 -12.5904 -12.5904 -12.4677 -12.4677 -10.8808 -10.8808 -10.7434 -10.7434 -10.5966 -10.5966 -10.5718 -10.5718 -5.7377 -5.7377 -5.6884 -5.6884 -3.8991 -3.8991 -3.6991 -3.6991 -3.6781 -3.6781 -3.6606 -3.6606 -2.5087 -2.5087 -2.1613 -2.1613 1.1437 1.1437 1.2745 1.2745 1.4869 1.4869 1.6582 1.6582 2.1930 2.1930 2.7639 2.7639 3.8485 3.8485 4.0893 4.0893 4.3272 4.3272 4.5194 4.5194 4.6498 4.6498 4.8830 4.8830 4.9478 4.9478 5.0139 5.0139 5.0982 5.0982 5.1758 5.1758 5.2050 5.2050 5.4945 5.4945 9.5388 9.5388 10.5727 10.5727 11.3008 11.3008 11.7333 11.7333 12.0325 12.0325 12.6059 12.6059 12.7254 12.7254 k = 0.0000 0.0000 0.3452 ( 6912 PWs) bands (ev): -19.1426 -19.1426 -19.0999 -19.0999 -12.5921 -12.5921 -12.4681 -12.4681 -10.8792 -10.8792 -10.7451 -10.7451 -10.5934 -10.5934 -10.5715 -10.5715 -5.7380 -5.7380 -5.6887 -5.6887 -3.8982 -3.8982 -3.6987 -3.6987 -3.6776 -3.6776 -3.6622 -3.6622 -2.5103 -2.5103 -2.1610 -2.1610 1.1425 1.1425 1.2760 1.2760 1.4821 1.4821 1.6737 1.6737 2.1757 2.1757 2.7576 2.7576 3.8461 3.8461 4.0950 4.0950 4.3290 4.3290 4.5326 4.5326 4.6511 4.6511 4.8831 4.8831 4.9550 4.9550 5.0112 5.0112 5.0888 5.0888 5.1733 5.1733 5.2022 5.2022 5.4949 5.4949 9.5450 9.5450 10.5633 10.5633 11.3090 11.3090 11.7355 11.7355 12.0243 12.0243 12.6158 12.6158 12.7232 12.7232 k = 0.0000 0.0000 0.3634 ( 6918 PWs) bands (ev): -19.1423 -19.1423 -19.1001 -19.1001 -12.5936 -12.5936 -12.4685 -12.4685 -10.8777 -10.8777 -10.7466 -10.7466 -10.5906 -10.5906 -10.5714 -10.5714 -5.7382 -5.7382 -5.6890 -5.6890 -3.8974 -3.8974 -3.6984 -3.6984 -3.6772 -3.6772 -3.6635 -3.6635 -2.5116 -2.5116 -2.1606 -2.1606 1.1413 1.1413 1.2771 1.2771 1.4780 1.4780 1.6882 1.6882 2.1600 2.1600 2.7523 2.7523 3.8441 3.8441 4.0996 4.0996 4.3304 4.3304 4.5438 4.5438 4.6523 4.6523 4.8829 4.8829 4.9627 4.9627 5.0088 5.0088 5.0797 5.0797 5.1711 5.1711 5.1999 5.1999 5.4950 5.4950 9.5502 9.5502 10.5557 10.5557 11.3162 11.3162 11.7371 11.7371 12.0177 12.0177 12.6231 12.6231 12.7229 12.7229 k = 0.0000 0.0000 0.3815 ( 6916 PWs) bands (ev): -19.1421 -19.1421 -19.1002 -19.1002 -12.5948 -12.5948 -12.4688 -12.4688 -10.8765 -10.8765 -10.7478 -10.7478 -10.5882 -10.5882 -10.5715 -10.5715 -5.7384 -5.7384 -5.6892 -5.6892 -3.8967 -3.8967 -3.6982 -3.6982 -3.6769 -3.6769 -3.6646 -3.6646 -2.5127 -2.5127 -2.1604 -2.1604 1.1403 1.1403 1.2780 1.2780 1.4747 1.4747 1.7009 1.7009 2.1467 2.1467 2.7482 2.7482 3.8425 3.8425 4.1031 4.1031 4.3315 4.3315 4.5529 4.5529 4.6533 4.6533 4.8828 4.8828 4.9705 4.9705 5.0067 5.0067 5.0713 5.0713 5.1694 5.1694 5.1980 5.1980 5.4948 5.4948 9.5544 9.5544 10.5498 10.5498 11.3222 11.3222 11.7382 11.7382 12.0127 12.0127 12.6282 12.6282 12.7239 12.7239 k = 0.0000 0.0000 0.3997 ( 6918 PWs) bands (ev): -19.1420 -19.1420 -19.1004 -19.1004 -12.5956 -12.5956 -12.4690 -12.4690 -10.8757 -10.8757 -10.7486 -10.7486 -10.5864 -10.5864 -10.5717 -10.5717 -5.7385 -5.7385 -5.6894 -5.6894 -3.8963 -3.8963 -3.6980 -3.6980 -3.6766 -3.6766 -3.6654 -3.6654 -2.5134 -2.5134 -2.1602 -2.1602 1.1395 1.1395 1.2786 1.2786 1.4723 1.4723 1.7108 1.7108 2.1364 2.1364 2.7452 2.7452 3.8414 3.8414 4.1055 4.1055 4.3323 4.3323 4.5595 4.5595 4.6541 4.6541 4.8827 4.8827 4.9775 4.9775 5.0048 5.0048 5.0642 5.0642 5.1681 5.1681 5.1967 5.1967 5.4946 5.4946 9.5574 9.5574 10.5456 10.5456 11.3267 11.3267 11.7387 11.7387 12.0091 12.0091 12.6313 12.6313 12.7254 12.7254 k = 0.0000 0.0000 0.4179 ( 6923 PWs) bands (ev): -19.1419 -19.1419 -19.1005 -19.1005 -12.5961 -12.5961 -12.4692 -12.4692 -10.8751 -10.8751 -10.7492 -10.7492 -10.5852 -10.5852 -10.5719 -10.5719 -5.7386 -5.7386 -5.6895 -5.6895 -3.8960 -3.8960 -3.6979 -3.6979 -3.6764 -3.6764 -3.6659 -3.6659 -2.5139 -2.5139 -2.1601 -2.1601 1.1390 1.1390 1.2789 1.2789 1.4709 1.4709 1.7171 1.7171 2.1299 2.1299 2.7434 2.7434 3.8407 3.8407 4.1069 4.1069 4.3327 4.3327 4.5635 4.5635 4.6546 4.6546 4.8826 4.8826 4.9829 4.9829 5.0031 5.0031 5.0594 5.0594 5.1674 5.1674 5.1959 5.1959 5.4944 5.4944 9.5592 9.5592 10.5431 10.5431 11.3295 11.3295 11.7390 11.7390 12.0071 12.0071 12.6330 12.6330 12.7267 12.7267 k = 0.0000 0.0000 0.4360 ( 6922 PWs) bands (ev): -19.1419 -19.1419 -19.1005 -19.1005 -12.5963 -12.5963 -12.4692 -12.4692 -10.8750 -10.8750 -10.7494 -10.7494 -10.5848 -10.5848 -10.5719 -10.5719 -5.7386 -5.7386 -5.6896 -5.6896 -3.8959 -3.8959 -3.6979 -3.6979 -3.6763 -3.6763 -3.6661 -3.6661 -2.5140 -2.5140 -2.1601 -2.1601 1.1388 1.1388 1.2790 1.2790 1.4704 1.4704 1.7192 1.7192 2.1277 2.1277 2.7428 2.7428 3.8405 3.8405 4.1074 4.1074 4.3329 4.3329 4.5648 4.5648 4.6547 4.6547 4.8826 4.8826 4.9850 4.9850 5.0024 5.0024 5.0576 5.0576 5.1671 5.1671 5.1956 5.1956 5.4943 5.4943 9.5599 9.5599 10.5423 10.5423 11.3305 11.3305 11.7391 11.7391 12.0064 12.0064 12.6335 12.6335 12.7272 12.7272 k = 0.0000 0.0000 0.4360 ( 6922 PWs) bands (ev): -19.1419 -19.1419 -19.1005 -19.1005 -12.5963 -12.5963 -12.4692 -12.4692 -10.8750 -10.8750 -10.7494 -10.7494 -10.5848 -10.5848 -10.5719 -10.5719 -5.7386 -5.7386 -5.6896 -5.6896 -3.8959 -3.8959 -3.6979 -3.6979 -3.6763 -3.6763 -3.6661 -3.6661 -2.5140 -2.5140 -2.1601 -2.1601 1.1388 1.1388 1.2790 1.2790 1.4704 1.4704 1.7192 1.7192 2.1277 2.1277 2.7428 2.7428 3.8405 3.8405 4.1074 4.1074 4.3329 4.3329 4.5648 4.5648 4.6547 4.6547 4.8826 4.8826 4.9850 4.9850 5.0024 5.0024 5.0576 5.0576 5.1671 5.1671 5.1956 5.1956 5.4943 5.4943 9.5599 9.5599 10.5423 10.5423 11.3305 11.3305 11.7391 11.7391 12.0064 12.0064 12.6335 12.6335 12.7272 12.7272 k = 0.0000 0.0183 0.4360 ( 6925 PWs) bands (ev): -19.1418 -19.1418 -19.1005 -19.1005 -12.5962 -12.5962 -12.4691 -12.4691 -10.8748 -10.8748 -10.7494 -10.7494 -10.5856 -10.5856 -10.5718 -10.5718 -5.7387 -5.7387 -5.6897 -5.6897 -3.8959 -3.8959 -3.6985 -3.6985 -3.6767 -3.6767 -3.6664 -3.6664 -2.5160 -2.5160 -2.1612 -2.1612 1.1394 1.1394 1.2833 1.2833 1.4729 1.4729 1.7199 1.7199 2.1281 2.1281 2.7437 2.7437 3.8415 3.8415 4.1060 4.1060 4.3333 4.3333 4.5611 4.5611 4.6541 4.6541 4.8804 4.8804 4.9818 4.9818 5.0041 5.0041 5.0651 5.0651 5.1658 5.1658 5.1971 5.1971 5.4952 5.4952 9.5590 9.5590 10.5425 10.5425 11.3255 11.3255 11.7399 11.7399 12.0094 12.0094 12.6318 12.6318 12.7249 12.7249 k = 0.0000 0.0367 0.4360 ( 6914 PWs) bands (ev): -19.1416 -19.1416 -19.1004 -19.1004 -12.5957 -12.5957 -12.4687 -12.4687 -10.8743 -10.8743 -10.7493 -10.7493 -10.5879 -10.5879 -10.5716 -10.5716 -5.7388 -5.7388 -5.6902 -5.6902 -3.8960 -3.8960 -3.7001 -3.7001 -3.6779 -3.6779 -3.6671 -3.6671 -2.5218 -2.5218 -2.1644 -2.1644 1.1413 1.1413 1.2959 1.2959 1.4805 1.4805 1.7219 1.7219 2.1294 2.1294 2.7465 2.7465 3.8447 3.8447 4.1021 4.1021 4.3346 4.3346 4.5500 4.5500 4.6522 4.6522 4.8742 4.8742 4.9773 4.9773 5.0066 5.0066 5.0842 5.0842 5.1626 5.1626 5.2010 5.2010 5.4977 5.4977 9.5563 9.5563 10.5432 10.5432 11.3110 11.3110 11.7421 11.7421 12.0184 12.0184 12.6264 12.6264 12.7183 12.7183 k = 0.0000 0.0550 0.4360 ( 6910 PWs) bands (ev): -19.1413 -19.1413 -19.1003 -19.1003 -12.5950 -12.5950 -12.4682 -12.4682 -10.8736 -10.8736 -10.7493 -10.7493 -10.5914 -10.5914 -10.5715 -10.5715 -5.7391 -5.7391 -5.6909 -5.6909 -3.8962 -3.8962 -3.7031 -3.7031 -3.6796 -3.6796 -3.6685 -3.6685 -2.5314 -2.5314 -2.1697 -2.1697 1.1449 1.1449 1.3159 1.3159 1.4931 1.4931 1.7254 1.7254 2.1316 2.1316 2.7510 2.7510 3.8500 3.8500 4.0955 4.0955 4.3366 4.3366 4.5319 4.5319 4.6493 4.6493 4.8657 4.8657 4.9756 4.9756 5.0090 5.0090 5.1096 5.1096 5.1584 5.1584 5.2064 5.2064 5.5020 5.5020 9.5518 9.5518 10.5443 10.5443 11.2882 11.2882 11.7446 11.7446 12.0326 12.0326 12.6172 12.6172 12.7077 12.7077 k = 0.0000 0.0734 0.4360 ( 6908 PWs) bands (ev): -19.1408 -19.1408 -19.1001 -19.1001 -12.5941 -12.5941 -12.4674 -12.4674 -10.8725 -10.8725 -10.7493 -10.7493 -10.5959 -10.5959 -10.5719 -10.5719 -5.7394 -5.7394 -5.6919 -5.6919 -3.8964 -3.8964 -3.7073 -3.7073 -3.6817 -3.6817 -3.6706 -3.6706 -2.5446 -2.5446 -2.1769 -2.1769 1.1507 1.1507 1.3425 1.3425 1.5104 1.5104 1.7304 1.7304 2.1347 2.1347 2.7574 2.7574 3.8572 3.8572 4.0866 4.0866 4.3393 4.3393 4.5077 4.5077 4.6456 4.6456 4.8569 4.8569 4.9768 4.9768 5.0115 5.0115 5.1370 5.1370 5.1546 5.1546 5.2129 5.2129 5.5080 5.5080 9.5456 9.5456 10.5458 10.5458 11.2589 11.2589 11.7465 11.7465 12.0512 12.0512 12.6039 12.6039 12.6941 12.6941 k = 0.0000 0.0917 0.4360 ( 6909 PWs) bands (ev): -19.1402 -19.1402 -19.0999 -19.0999 -12.5929 -12.5929 -12.4664 -12.4664 -10.8711 -10.8711 -10.7492 -10.7492 -10.6012 -10.6012 -10.5728 -10.5728 -5.7398 -5.7398 -5.6933 -5.6933 -3.8968 -3.8968 -3.7128 -3.7128 -3.6841 -3.6841 -3.6734 -3.6734 -2.5609 -2.5609 -2.1859 -2.1859 1.1589 1.1589 1.3745 1.3745 1.5323 1.5323 1.7373 1.7373 2.1387 2.1387 2.7654 2.7654 3.8664 3.8664 4.0754 4.0754 4.3426 4.3426 4.4785 4.4785 4.6415 4.6415 4.8491 4.8491 4.9802 4.9802 5.0140 5.0140 5.1471 5.1471 5.1687 5.1687 5.2205 5.2205 5.5157 5.5157 9.5376 9.5376 10.5478 10.5478 11.2247 11.2247 11.7467 11.7467 12.0731 12.0731 12.5861 12.5861 12.6781 12.6781 k = 0.0000 0.1101 0.4360 ( 6912 PWs) bands (ev): -19.1395 -19.1395 -19.0997 -19.0997 -12.5914 -12.5914 -12.4652 -12.4652 -10.8694 -10.8694 -10.7492 -10.7492 -10.6071 -10.6071 -10.5743 -10.5743 -5.7403 -5.7403 -5.6949 -5.6949 -3.8973 -3.8973 -3.7198 -3.7198 -3.6867 -3.6867 -3.6769 -3.6769 -2.5801 -2.5801 -2.1964 -2.1964 1.1696 1.1696 1.4112 1.4112 1.5582 1.5582 1.7463 1.7463 2.1436 2.1436 2.7751 2.7751 3.8774 3.8774 4.0623 4.0623 4.3464 4.3464 4.4454 4.4454 4.6371 4.6371 4.8430 4.8430 4.9847 4.9847 5.0166 5.0166 5.1431 5.1431 5.1960 5.1960 5.2298 5.2298 5.5252 5.5252 9.5281 9.5281 10.5502 10.5502 11.1871 11.1871 11.7445 11.7445 12.0972 12.0972 12.5638 12.5638 12.6605 12.6605 k = 0.0000 0.1284 0.4360 ( 6908 PWs) bands (ev): -19.1386 -19.1386 -19.0994 -19.0994 -12.5897 -12.5897 -12.4637 -12.4637 -10.8674 -10.8674 -10.7492 -10.7492 -10.6137 -10.6137 -10.5763 -10.5763 -5.7409 -5.7409 -5.6968 -5.6968 -3.8980 -3.8980 -3.7280 -3.7280 -3.6896 -3.6896 -3.6811 -3.6811 -2.6017 -2.6017 -2.2082 -2.2082 1.1827 1.1827 1.4513 1.4513 1.5876 1.5876 1.7582 1.7582 2.1494 2.1494 2.7863 2.7863 3.8901 3.8901 4.0473 4.0473 4.3505 4.3505 4.4096 4.4096 4.6328 4.6328 4.8391 4.8391 4.9895 4.9895 5.0192 5.0192 5.1388 5.1388 5.2194 5.2194 5.2434 5.2434 5.5363 5.5363 9.5169 9.5169 10.5529 10.5529 11.1472 11.1472 11.7389 11.7389 12.1224 12.1224 12.5372 12.5372 12.6416 12.6416 k = 0.0000 0.1467 0.4360 ( 6908 PWs) bands (ev): -19.1377 -19.1377 -19.0991 -19.0991 -12.5877 -12.5877 -12.4621 -12.4621 -10.8652 -10.8652 -10.7492 -10.7492 -10.6208 -10.6208 -10.5790 -10.5790 -5.7416 -5.7416 -5.6990 -5.6990 -3.8988 -3.8988 -3.7375 -3.7375 -3.6928 -3.6928 -3.6859 -3.6859 -2.6254 -2.6254 -2.2209 -2.2209 1.1981 1.1981 1.4939 1.4939 1.6195 1.6195 1.7740 1.7740 2.1562 2.1562 2.7989 2.7989 3.9042 3.9042 4.0309 4.0309 4.3546 4.3546 4.3725 4.3725 4.6288 4.6288 4.8374 4.8374 4.9941 4.9941 5.0217 5.0217 5.1347 5.1347 5.2352 5.2352 5.2643 5.2643 5.5490 5.5490 9.5043 9.5043 10.5558 10.5558 11.1062 11.1062 11.7293 11.7293 12.1476 12.1476 12.5069 12.5069 12.6215 12.6215 k = 0.0000 0.1651 0.4360 ( 6912 PWs) bands (ev): -19.1366 -19.1366 -19.0987 -19.0987 -12.5855 -12.5855 -12.4604 -12.4604 -10.8627 -10.8627 -10.7492 -10.7492 -10.6284 -10.6284 -10.5821 -10.5821 -5.7424 -5.7424 -5.7014 -5.7014 -3.9000 -3.9000 -3.7481 -3.7481 -3.6967 -3.6967 -3.6910 -3.6910 -2.6506 -2.6506 -2.2344 -2.2344 1.2155 1.2155 1.5375 1.5375 1.6524 1.6524 1.7951 1.7951 2.1640 2.1640 2.8126 2.8126 3.9195 3.9195 4.0133 4.0133 4.3338 4.3338 4.3596 4.3596 4.6254 4.6254 4.8378 4.8378 4.9978 4.9978 5.0241 5.0241 5.1310 5.1310 5.2468 5.2468 5.2888 5.2888 5.5631 5.5631 9.4902 9.4902 10.5588 10.5588 11.0649 11.0649 11.7151 11.7151 12.1720 12.1720 12.4739 12.4739 12.5998 12.5998 k = 0.0000 0.1834 0.4360 ( 6912 PWs) bands (ev): -19.1354 -19.1354 -19.0984 -19.0984 -12.5831 -12.5831 -12.4584 -12.4584 -10.8600 -10.8600 -10.7493 -10.7493 -10.6365 -10.6365 -10.5858 -10.5858 -5.7433 -5.7433 -5.7041 -5.7041 -3.9015 -3.9015 -3.7597 -3.7597 -3.7017 -3.7017 -3.6958 -3.6958 -2.6769 -2.6769 -2.2483 -2.2483 1.2347 1.2347 1.5806 1.5806 1.6852 1.6852 1.8230 1.8230 2.1730 2.1730 2.8273 2.8273 3.9358 3.9358 3.9948 3.9948 4.2962 4.2962 4.3638 4.3638 4.6229 4.6229 4.8402 4.8402 5.0002 5.0002 5.0266 5.0266 5.1277 5.1277 5.2576 5.2576 5.3133 5.3133 5.5786 5.5786 9.4748 9.4748 10.5616 10.5616 11.0241 11.0241 11.6958 11.6958 12.1944 12.1944 12.4392 12.4392 12.5763 12.5763 k = 0.0000 0.2018 0.4360 ( 6918 PWs) bands (ev): -19.1342 -19.1342 -19.0980 -19.0980 -12.5805 -12.5805 -12.4563 -12.4563 -10.8570 -10.8570 -10.7494 -10.7494 -10.6450 -10.6450 -10.5899 -10.5899 -5.7443 -5.7443 -5.7071 -5.7071 -3.9033 -3.9033 -3.7722 -3.7722 -3.7082 -3.7082 -3.7001 -3.7001 -2.7039 -2.7039 -2.2624 -2.2624 1.2555 1.2555 1.6211 1.6211 1.7179 1.7179 1.8585 1.8585 2.1831 2.1831 2.8428 2.8428 3.9522 3.9522 3.9763 3.9763 4.2594 4.2594 4.3679 4.3679 4.6218 4.6218 4.8446 4.8446 5.0011 5.0011 5.0291 5.0291 5.1248 5.1248 5.2687 5.2687 5.3370 5.3370 5.5952 5.5952 9.4582 9.4582 10.5638 10.5638 10.9845 10.9845 11.6710 11.6710 12.2130 12.2130 12.4042 12.4042 12.5510 12.5510 k = 0.0000 0.2201 0.4360 ( 6919 PWs) bands (ev): -19.1328 -19.1328 -19.0976 -19.0976 -12.5778 -12.5778 -12.4541 -12.4541 -10.8538 -10.8538 -10.7495 -10.7495 -10.6538 -10.6538 -10.5945 -10.5945 -5.7454 -5.7454 -5.7103 -5.7103 -3.9057 -3.9057 -3.7855 -3.7855 -3.7156 -3.7156 -3.7042 -3.7042 -2.7311 -2.7311 -2.2764 -2.2764 1.2777 1.2777 1.6567 1.6567 1.7519 1.7519 1.9010 1.9010 2.1947 2.1947 2.8587 2.8587 3.9539 3.9539 3.9725 3.9725 4.2241 4.2241 4.3718 4.3718 4.6222 4.6222 4.8509 4.8509 5.0005 5.0005 5.0315 5.0315 5.1223 5.1223 5.2803 5.2803 5.3597 5.3597 5.6128 5.6128 9.4405 9.4405 10.5648 10.5648 10.9470 10.9470 11.6405 11.6405 12.2248 12.2248 12.3710 12.3710 12.5243 12.5243 k = 0.0000 0.2384 0.4360 ( 6910 PWs) bands (ev): -19.1314 -19.1314 -19.0972 -19.0972 -12.5748 -12.5748 -12.4517 -12.4517 -10.8504 -10.8504 -10.7497 -10.7497 -10.6628 -10.6628 -10.5994 -10.5994 -5.7466 -5.7466 -5.7137 -5.7137 -3.9087 -3.9087 -3.7994 -3.7994 -3.7236 -3.7236 -3.7083 -3.7083 -2.7583 -2.7583 -2.2901 -2.2901 1.3009 1.3009 1.6857 1.6857 1.7889 1.7889 1.9488 1.9488 2.2079 2.2079 2.8746 2.8746 3.9357 3.9357 3.9889 3.9889 4.1910 4.1910 4.3756 4.3756 4.6244 4.6244 4.8589 4.8589 4.9985 4.9985 5.0337 5.0337 5.1199 5.1199 5.2924 5.2924 5.3814 5.3814 5.6311 5.6311 9.4218 9.4218 10.5638 10.5638 10.9123 10.9123 11.6044 11.6044 12.2249 12.2249 12.3422 12.3422 12.4981 12.4981 k = 0.0000 0.2568 0.4360 ( 6912 PWs) bands (ev): -19.1298 -19.1298 -19.0968 -19.0968 -12.5718 -12.5718 -12.4492 -12.4492 -10.8469 -10.8469 -10.7500 -10.7500 -10.6721 -10.6721 -10.6047 -10.6047 -5.7479 -5.7479 -5.7174 -5.7174 -3.9124 -3.9124 -3.8137 -3.8137 -3.7320 -3.7320 -3.7127 -3.7127 -2.7849 -2.7849 -2.3033 -2.3033 1.3251 1.3251 1.7089 1.7089 1.8289 1.8289 1.9996 1.9996 2.2232 2.2232 2.8902 2.8902 3.9170 3.9170 4.0056 4.0056 4.1604 4.1604 4.3795 4.3795 4.6286 4.6286 4.8686 4.8686 4.9954 4.9954 5.0355 5.0355 5.1176 5.1176 5.3049 5.3049 5.4025 5.4025 5.6501 5.6501 9.4022 9.4022 10.5601 10.5601 10.8812 10.8812 11.5632 11.5632 12.2089 12.2089 12.3172 12.3172 12.4768 12.4768 k = 0.0000 0.2751 0.4360 ( 6906 PWs) bands (ev): -19.1283 -19.1283 -19.0964 -19.0964 -12.5686 -12.5686 -12.4467 -12.4467 -10.8432 -10.8432 -10.7504 -10.7504 -10.6815 -10.6815 -10.6102 -10.6102 -5.7493 -5.7493 -5.7212 -5.7212 -3.9171 -3.9171 -3.8283 -3.8283 -3.7407 -3.7407 -3.7171 -3.7171 -2.8108 -2.8108 -2.3159 -2.3159 1.3500 1.3500 1.7279 1.7279 1.8703 1.8703 2.0512 2.0512 2.2413 2.2413 2.9051 2.9051 3.8991 3.8991 4.0214 4.0214 4.1326 4.1326 4.3838 4.3838 4.6347 4.6347 4.8796 4.8796 4.9914 4.9914 5.0369 5.0369 5.1153 5.1153 5.3178 5.3178 5.4230 5.4230 5.6696 5.6696 9.3818 9.3818 10.5524 10.5524 10.8547 10.8547 11.5175 11.5175 12.1788 12.1788 12.2882 12.2882 12.4660 12.4660 k = 0.0000 0.2935 0.4360 ( 6888 PWs) bands (ev): -19.1266 -19.1266 -19.0961 -19.0961 -12.5653 -12.5653 -12.4441 -12.4441 -10.8394 -10.8394 -10.7509 -10.7509 -10.6909 -10.6909 -10.6160 -10.6160 -5.7508 -5.7508 -5.7252 -5.7252 -3.9228 -3.9228 -3.8429 -3.8429 -3.7494 -3.7494 -3.7218 -3.7218 -2.8356 -2.8356 -2.3278 -2.3278 1.3753 1.3753 1.7444 1.7444 1.9114 1.9114 2.1017 2.1017 2.2629 2.2629 2.9188 2.9188 3.8827 3.8827 4.0359 4.0359 4.1081 4.1081 4.3887 4.3887 4.6428 4.6428 4.8918 4.8918 4.9870 4.9870 5.0377 5.0377 5.1129 5.1129 5.3310 5.3310 5.4433 5.4433 5.6897 5.6897 9.3608 9.3608 10.5401 10.5401 10.8330 10.8330 11.4683 11.4683 12.1396 12.1396 12.2488 12.2488 12.4675 12.4675 k = 0.0000 0.3118 0.4360 ( 6887 PWs) bands (ev): -19.1249 -19.1249 -19.0957 -19.0957 -12.5619 -12.5619 -12.4414 -12.4414 -10.8355 -10.8355 -10.7515 -10.7515 -10.7003 -10.7003 -10.6219 -10.6219 -5.7523 -5.7523 -5.7293 -5.7293 -3.9299 -3.9299 -3.8572 -3.8572 -3.7581 -3.7581 -3.7266 -3.7266 -2.8591 -2.8591 -2.3388 -2.3388 1.4008 1.4008 1.7592 1.7592 1.9512 1.9512 2.1488 2.1488 2.2893 2.2893 2.9308 2.9308 3.8681 3.8681 4.0483 4.0483 4.0869 4.0869 4.3947 4.3947 4.6528 4.6528 4.9049 4.9049 4.9822 4.9822 5.0380 5.0380 5.1104 5.1104 5.3442 5.3442 5.4636 5.4636 5.7103 5.7103 9.3393 9.3393 10.5227 10.5227 10.8159 10.8159 11.4169 11.4169 12.0936 12.0936 12.2006 12.2006 12.4778 12.4778 k = 0.0000 0.3302 0.4360 ( 6881 PWs) bands (ev): -19.1232 -19.1232 -19.0954 -19.0954 -12.5585 -12.5585 -12.4387 -12.4387 -10.8316 -10.8316 -10.7522 -10.7522 -10.7095 -10.7095 -10.6280 -10.6280 -5.7539 -5.7539 -5.7335 -5.7335 -3.9384 -3.9384 -3.8710 -3.8710 -3.7664 -3.7664 -3.7316 -3.7316 -2.8811 -2.8811 -2.3489 -2.3489 1.4263 1.4263 1.7732 1.7732 1.9887 1.9887 2.1911 2.1911 2.3212 2.3212 2.9407 2.9407 3.8561 3.8561 4.0573 4.0573 4.0701 4.0701 4.4021 4.4021 4.6645 4.6645 4.9182 4.9182 4.9774 4.9774 5.0379 5.0379 5.1076 5.1076 5.3572 5.3572 5.4842 5.4842 5.7316 5.7316 9.3174 9.3174 10.5005 10.5005 10.8023 10.8023 11.3646 11.3646 12.0405 12.0405 12.1496 12.1496 12.4926 12.4926 k = 0.0000 0.3485 0.4360 ( 6875 PWs) bands (ev): -19.1214 -19.1214 -19.0951 -19.0951 -12.5550 -12.5550 -12.4360 -12.4360 -10.8277 -10.8277 -10.7531 -10.7531 -10.7186 -10.7186 -10.6341 -10.6341 -5.7556 -5.7556 -5.7377 -5.7377 -3.9484 -3.9484 -3.8841 -3.8841 -3.7742 -3.7742 -3.7367 -3.7367 -2.9015 -2.9015 -2.3581 -2.3581 1.4515 1.4515 1.7865 1.7865 2.0232 2.0232 2.2281 2.2281 2.3582 2.3582 2.9483 2.9483 3.8468 3.8468 4.0518 4.0518 4.0686 4.0686 4.4110 4.4110 4.6778 4.6778 4.9310 4.9310 4.9732 4.9732 5.0375 5.0375 5.1047 5.1047 5.3700 5.3700 5.5054 5.5054 5.7537 5.7537 9.2953 9.2953 10.4742 10.4742 10.7903 10.7903 11.3133 11.3133 11.9793 11.9793 12.1007 12.1007 12.5089 12.5089 k = 0.0000 0.3668 0.4360 ( 6882 PWs) bands (ev): -19.1197 -19.1197 -19.0949 -19.0949 -12.5515 -12.5515 -12.4334 -12.4334 -10.8239 -10.8239 -10.7541 -10.7541 -10.7273 -10.7273 -10.6402 -10.6402 -5.7572 -5.7572 -5.7420 -5.7420 -3.9598 -3.9598 -3.8966 -3.8966 -3.7815 -3.7815 -3.7419 -3.7419 -2.9203 -2.9203 -2.3664 -2.3664 1.4761 1.4761 1.7994 1.7994 2.0543 2.0543 2.2611 2.2611 2.3986 2.3986 2.9531 2.9531 3.8407 3.8407 4.0405 4.0405 4.0735 4.0735 4.4215 4.4215 4.6926 4.6926 4.9419 4.9419 4.9703 4.9703 5.0372 5.0372 5.1016 5.1016 5.3823 5.3823 5.5273 5.5273 5.7765 5.7765 9.2731 9.2731 10.4446 10.4446 10.7776 10.7776 11.2650 11.2650 11.9108 11.9108 12.0565 12.0565 12.5241 12.5241 k = 0.0000 0.3852 0.4360 ( 6883 PWs) bands (ev): -19.1179 -19.1179 -19.0947 -19.0947 -12.5480 -12.5480 -12.4307 -12.4307 -10.8202 -10.8202 -10.7552 -10.7552 -10.7356 -10.7356 -10.6462 -10.6462 -5.7589 -5.7589 -5.7463 -5.7463 -3.9723 -3.9723 -3.9084 -3.9084 -3.7880 -3.7880 -3.7472 -3.7472 -2.9373 -2.9373 -2.3738 -2.3738 1.4999 1.4999 1.8120 1.8120 2.0820 2.0820 2.2914 2.2914 2.4400 2.4400 2.9553 2.9553 3.8378 3.8378 4.0316 4.0316 4.0766 4.0766 4.4333 4.4333 4.7085 4.7085 4.9482 4.9482 4.9706 4.9706 5.0374 5.0374 5.0984 5.0984 5.3938 5.3938 5.5503 5.5503 5.8003 5.8003 9.2508 9.2508 10.4127 10.4127 10.7617 10.7617 11.2216 11.2216 11.8378 11.8378 12.0171 12.0171 12.5355 12.5355 k = 0.0000 0.4035 0.4360 ( 6886 PWs) bands (ev): -19.1161 -19.1161 -19.0946 -19.0946 -12.5446 -12.5446 -12.4281 -12.4281 -10.8169 -10.8169 -10.7565 -10.7565 -10.7433 -10.7433 -10.6522 -10.6522 -5.7606 -5.7606 -5.7504 -5.7504 -3.9856 -3.9856 -3.9196 -3.9196 -3.7937 -3.7937 -3.7525 -3.7525 -2.9525 -2.9525 -2.3803 -2.3803 1.5226 1.5226 1.8243 1.8243 2.1064 2.1064 2.3201 2.3201 2.4807 2.4807 2.9548 2.9548 3.8382 3.8382 4.0251 4.0251 4.0780 4.0780 4.4460 4.4460 4.7254 4.7254 4.9490 4.9490 4.9741 4.9741 5.0387 5.0387 5.0953 5.0953 5.4045 5.4045 5.5745 5.5745 5.8248 5.8248 9.2287 9.2287 10.3791 10.3791 10.7404 10.7404 11.1853 11.1853 11.7633 11.7633 11.9817 11.9817 12.5393 12.5393 k = 0.0000 0.4219 0.4360 ( 6881 PWs) bands (ev): -19.1143 -19.1143 -19.0945 -19.0945 -12.5412 -12.5412 -12.4256 -12.4256 -10.8139 -10.8139 -10.7580 -10.7580 -10.7501 -10.7501 -10.6580 -10.6580 -5.7624 -5.7624 -5.7545 -5.7545 -3.9993 -3.9993 -3.9305 -3.9305 -3.7986 -3.7986 -3.7578 -3.7578 -2.9660 -2.9660 -2.3861 -2.3861 1.5440 1.5440 1.8364 1.8364 2.1278 2.1278 2.3477 2.3477 2.5194 2.5194 2.9520 2.9520 3.8415 3.8415 4.0209 4.0209 4.0778 4.0778 4.4593 4.4593 4.7430 4.7430 4.9474 4.9474 4.9770 4.9770 5.0416 5.0416 5.0923 5.0923 5.4141 5.4141 5.6001 5.6001 5.8502 5.8502 9.2069 9.2069 10.3446 10.3446 10.7123 10.7123 11.1569 11.1569 11.6899 11.6899 11.9498 11.9498 12.5329 12.5329 k = 0.0000 0.4402 0.4360 ( 6887 PWs) bands (ev): -19.1126 -19.1126 -19.0946 -19.0946 -12.5379 -12.5379 -12.4232 -12.4232 -10.8117 -10.8117 -10.7599 -10.7599 -10.7556 -10.7556 -10.6636 -10.6636 -5.7642 -5.7642 -5.7582 -5.7582 -4.0130 -4.0130 -3.9409 -3.9409 -3.8026 -3.8026 -3.7631 -3.7631 -2.9777 -2.9777 -2.3911 -2.3911 1.5637 1.5637 1.8483 1.8483 2.1465 2.1465 2.3741 2.3741 2.5554 2.5554 2.9471 2.9471 3.8473 3.8473 4.0188 4.0188 4.0766 4.0766 4.4725 4.4725 4.7611 4.7611 4.9453 4.9453 4.9771 4.9771 5.0459 5.0459 5.0897 5.0897 5.4225 5.4225 5.6270 5.6270 5.8761 5.8761 9.1855 9.1855 10.3098 10.3098 10.6771 10.6771 11.1367 11.1367 11.6200 11.6200 11.9213 11.9213 12.5185 12.5185 k = 0.0000 0.4586 0.4360 ( 6885 PWs) bands (ev): -19.1108 -19.1108 -19.0946 -19.0946 -12.5347 -12.5347 -12.4209 -12.4209 -10.8104 -10.8104 -10.7630 -10.7630 -10.7588 -10.7588 -10.6690 -10.6690 -5.7664 -5.7664 -5.7613 -5.7613 -4.0265 -4.0265 -3.9509 -3.9509 -3.8059 -3.8059 -3.7683 -3.7683 -2.9879 -2.9879 -2.3955 -2.3955 1.5817 1.5817 1.8598 1.8598 2.1630 2.1630 2.3991 2.3991 2.5883 2.5883 2.9407 2.9407 3.8553 3.8553 4.0183 4.0183 4.0749 4.0749 4.4853 4.4853 4.7794 4.7794 4.9435 4.9435 4.9742 4.9742 5.0506 5.0506 5.0879 5.0879 5.4294 5.4294 5.6552 5.6552 5.9022 5.9022 9.1646 9.1646 10.2754 10.2754 10.6359 10.6359 11.1233 11.1233 11.5554 11.5554 11.8960 11.8960 12.4995 12.4995 k = 0.0000 0.4769 0.4360 ( 6883 PWs) bands (ev): -19.1091 -19.1091 -19.0948 -19.0948 -12.5317 -12.5317 -12.4187 -12.4187 -10.8102 -10.8102 -10.7663 -10.7663 -10.7603 -10.7603 -10.6741 -10.6741 -5.7691 -5.7691 -5.7637 -5.7637 -4.0394 -4.0394 -3.9603 -3.9603 -3.8085 -3.8085 -3.7734 -3.7734 -2.9964 -2.9964 -2.3994 -2.3994 1.5977 1.5977 1.8708 1.8708 2.1776 2.1776 2.4224 2.4224 2.6178 2.6178 2.9334 2.9334 3.8649 3.8649 4.0192 4.0192 4.0730 4.0730 4.4971 4.4971 4.7973 4.7973 4.9424 4.9424 4.9693 4.9693 5.0546 5.0546 5.0871 5.0871 5.4349 5.4349 5.6843 5.6843 5.9281 5.9281 9.1444 9.1444 10.2423 10.2423 10.5900 10.5900 11.1152 11.1152 11.4976 11.4976 11.8740 11.8740 12.4783 12.4783 k = 0.0000 0.4952 0.4360 ( 6879 PWs) bands (ev): -19.1075 -19.1075 -19.0950 -19.0950 -12.5287 -12.5287 -12.4167 -12.4167 -10.8113 -10.8113 -10.7690 -10.7690 -10.7609 -10.7609 -10.6789 -10.6789 -5.7720 -5.7720 -5.7654 -5.7654 -4.0516 -4.0516 -3.9689 -3.9689 -3.8105 -3.8105 -3.7784 -3.7784 -3.0034 -3.0034 -2.4027 -2.4027 1.6115 1.6115 1.8813 1.8813 2.1906 2.1906 2.4437 2.4437 2.6440 2.6440 2.9256 2.9256 3.8755 3.8755 4.0211 4.0211 4.0713 4.0713 4.5078 4.5078 4.8144 4.8144 4.9414 4.9414 4.9632 4.9632 5.0575 5.0575 5.0873 5.0873 5.4386 5.4386 5.7139 5.7139 5.9532 5.9532 9.1250 9.1250 10.2114 10.2114 10.5415 10.5415 11.1104 11.1104 11.4476 11.4476 11.8552 11.8552 12.4560 12.4560 k = 0.0000 0.5136 0.4360 ( 6882 PWs) bands (ev): -19.1059 -19.1059 -19.0954 -19.0954 -12.5260 -12.5260 -12.4148 -12.4148 -10.8133 -10.8133 -10.7713 -10.7713 -10.7605 -10.7605 -10.6834 -10.6834 -5.7751 -5.7751 -5.7666 -5.7666 -4.0629 -4.0629 -3.9768 -3.9768 -3.8118 -3.8118 -3.7832 -3.7832 -3.0091 -3.0091 -2.4055 -2.4055 1.6231 1.6231 1.8912 1.8912 2.2021 2.2021 2.4627 2.4627 2.6668 2.6668 2.9180 2.9180 3.8865 3.8865 4.0239 4.0239 4.0703 4.0703 4.5169 4.5169 4.8302 4.8302 4.9394 4.9394 4.9578 4.9578 5.0597 5.0597 5.0881 5.0881 5.4406 5.4406 5.7433 5.7433 5.9769 5.9769 9.1065 9.1065 10.1836 10.1836 10.4920 10.4920 11.1077 11.1077 11.4061 11.4061 11.8397 11.8397 12.4332 12.4332 k = 0.0000 0.5319 0.4360 ( 6883 PWs) bands (ev): -19.1044 -19.1044 -19.0958 -19.0958 -12.5234 -12.5234 -12.4131 -12.4131 -10.8159 -10.8159 -10.7736 -10.7736 -10.7592 -10.7592 -10.6876 -10.6876 -5.7780 -5.7780 -5.7675 -5.7675 -4.0732 -4.0732 -3.9836 -3.9836 -3.8126 -3.8126 -3.7877 -3.7877 -3.0134 -3.0134 -2.4081 -2.4081 1.6324 1.6324 1.9001 1.9001 2.2124 2.2124 2.4792 2.4792 2.6865 2.6865 2.9111 2.9111 3.8975 3.8975 4.0272 4.0272 4.0703 4.0703 4.5245 4.5245 4.8440 4.8440 4.9338 4.9338 4.9559 4.9559 5.0621 5.0621 5.0890 5.0890 5.4408 5.4408 5.7718 5.7718 5.9987 5.9987 9.0891 9.0891 10.1600 10.1600 10.4430 10.4430 11.1063 11.1063 11.3730 11.3730 11.8275 11.8275 12.4103 12.4103 k = 0.0000 0.5503 0.4360 ( 6878 PWs) bands (ev): -19.1030 -19.1030 -19.0963 -19.0963 -12.5210 -12.5210 -12.4116 -12.4116 -10.8188 -10.8188 -10.7760 -10.7760 -10.7571 -10.7571 -10.6913 -10.6913 -5.7806 -5.7806 -5.7680 -5.7680 -4.0823 -4.0823 -3.9893 -3.9893 -3.8130 -3.8130 -3.7919 -3.7919 -3.0165 -3.0165 -2.4103 -2.4103 1.6394 1.6394 1.9080 1.9080 2.2215 2.2215 2.4928 2.4928 2.7032 2.7032 2.9051 2.9051 3.9080 3.9080 4.0308 4.0308 4.0716 4.0716 4.5302 4.5302 4.8553 4.8553 4.9246 4.9246 4.9576 4.9576 5.0652 5.0652 5.0898 5.0898 5.4391 5.4391 5.7987 5.7987 6.0177 6.0177 9.0728 9.0728 10.1416 10.1416 10.3963 10.3963 11.1058 11.1058 11.3477 11.3477 11.8187 11.8187 12.3876 12.3876 k = 0.0000 0.5686 0.4360 ( 6876 PWs) bands (ev): -19.1017 -19.1017 -19.0968 -19.0968 -12.5188 -12.5188 -12.4103 -12.4103 -10.8215 -10.8215 -10.7787 -10.7787 -10.7544 -10.7544 -10.6947 -10.6947 -5.7829 -5.7829 -5.7683 -5.7683 -4.0903 -4.0903 -3.9937 -3.9937 -3.8131 -3.8131 -3.7957 -3.7957 -3.0185 -3.0185 -2.4123 -2.4123 1.6441 1.6441 1.9147 1.9147 2.2295 2.2295 2.5035 2.5035 2.7173 2.7173 2.9004 2.9004 3.9175 3.9175 4.0347 4.0347 4.0742 4.0742 4.5342 4.5342 4.8636 4.8636 4.9134 4.9134 4.9614 4.9614 5.0692 5.0692 5.0908 5.0908 5.4356 5.4356 5.8229 5.8229 6.0334 6.0334 9.0579 9.0579 10.1290 10.1290 10.3533 10.3533 11.1067 11.1067 11.3291 11.3291 11.8132 11.8132 12.3652 12.3652 k = 0.0000 0.5686 0.4360 ( 6876 PWs) bands (ev): -19.1017 -19.1017 -19.0968 -19.0968 -12.5188 -12.5188 -12.4103 -12.4103 -10.8215 -10.8215 -10.7787 -10.7787 -10.7544 -10.7544 -10.6947 -10.6947 -5.7829 -5.7829 -5.7683 -5.7683 -4.0903 -4.0903 -3.9937 -3.9937 -3.8131 -3.8131 -3.7957 -3.7957 -3.0185 -3.0185 -2.4123 -2.4123 1.6441 1.6441 1.9147 1.9147 2.2295 2.2295 2.5035 2.5035 2.7173 2.7173 2.9004 2.9004 3.9175 3.9175 4.0347 4.0347 4.0742 4.0742 4.5342 4.5342 4.8636 4.8636 4.9134 4.9134 4.9614 4.9614 5.0692 5.0692 5.0908 5.0908 5.4356 5.4356 5.8229 5.8229 6.0334 6.0334 9.0579 9.0579 10.1290 10.1290 10.3533 10.3533 11.1067 11.1067 11.3291 11.3291 11.8132 11.8132 12.3652 12.3652 k = 0.0000 0.5752 0.4189 ( 6872 PWs) bands (ev): -19.1012 -19.1012 -19.0971 -19.0971 -12.5172 -12.5172 -12.4087 -12.4087 -10.8245 -10.8245 -10.7812 -10.7812 -10.7525 -10.7525 -10.6973 -10.6973 -5.7820 -5.7820 -5.7675 -5.7675 -4.0898 -4.0898 -3.9922 -3.9922 -3.8100 -3.8100 -3.7898 -3.7898 -3.0294 -3.0294 -2.4222 -2.4222 1.6450 1.6450 1.9174 1.9174 2.2320 2.2320 2.5081 2.5081 2.7273 2.7273 2.9051 2.9051 3.9254 3.9254 4.0225 4.0225 4.0753 4.0753 4.5434 4.5434 4.8595 4.8595 4.9104 4.9104 4.9639 4.9639 5.0659 5.0659 5.0905 5.0905 5.4260 5.4260 5.8321 5.8321 6.0434 6.0434 9.0518 9.0518 10.1280 10.1280 10.3368 10.3368 11.1036 11.1036 11.3282 11.3282 11.7774 11.7774 12.3544 12.3544 k = 0.0000 0.5818 0.4017 ( 6874 PWs) bands (ev): -19.1007 -19.1007 -19.0973 -19.0973 -12.5156 -12.5156 -12.4072 -12.4072 -10.8275 -10.8275 -10.7836 -10.7836 -10.7505 -10.7505 -10.6998 -10.6998 -5.7810 -5.7810 -5.7667 -5.7667 -4.0891 -4.0891 -3.9908 -3.9908 -3.8071 -3.8071 -3.7834 -3.7834 -3.0400 -3.0400 -2.4320 -2.4320 1.6455 1.6455 1.9199 1.9199 2.2344 2.2344 2.5113 2.5113 2.7385 2.7385 2.9094 2.9094 3.9326 3.9326 4.0097 4.0097 4.0778 4.0778 4.5517 4.5517 4.8554 4.8554 4.9083 4.9083 4.9668 4.9668 5.0586 5.0586 5.0949 5.0949 5.4152 5.4152 5.8394 5.8394 6.0539 6.0539 9.0457 9.0457 10.1282 10.1282 10.3206 10.3206 11.1007 11.1007 11.3286 11.3286 11.7447 11.7447 12.3425 12.3425 k = 0.0000 0.5885 0.3845 ( 6883 PWs) bands (ev): -19.1003 -19.1003 -19.0976 -19.0976 -12.5140 -12.5140 -12.4057 -12.4057 -10.8303 -10.8303 -10.7859 -10.7859 -10.7486 -10.7486 -10.7023 -10.7023 -5.7800 -5.7800 -5.7660 -5.7660 -4.0884 -4.0884 -3.9897 -3.9897 -3.8045 -3.8045 -3.7767 -3.7767 -3.0499 -3.0499 -2.4413 -2.4413 1.6458 1.6458 1.9223 1.9223 2.2365 2.2365 2.5135 2.5135 2.7504 2.7504 2.9134 2.9134 3.9388 3.9388 3.9970 3.9970 4.0810 4.0810 4.5591 4.5591 4.8516 4.8516 4.9074 4.9074 4.9695 4.9695 5.0492 5.0492 5.1023 5.1023 5.4031 5.4031 5.8449 5.8449 6.0646 6.0646 9.0396 9.0396 10.1298 10.1298 10.3048 10.3048 11.0979 11.0979 11.3302 11.3302 11.7152 11.7152 12.3293 12.3293 k = 0.0000 0.5951 0.3674 ( 6880 PWs) bands (ev): -19.0999 -19.0999 -19.0978 -19.0978 -12.5125 -12.5125 -12.4044 -12.4044 -10.8329 -10.8329 -10.7880 -10.7880 -10.7468 -10.7468 -10.7046 -10.7046 -5.7791 -5.7791 -5.7654 -5.7654 -4.0876 -4.0876 -3.9888 -3.9888 -3.8021 -3.8021 -3.7701 -3.7701 -3.0591 -3.0591 -2.4501 -2.4501 1.6458 1.6458 1.9245 1.9245 2.2383 2.2383 2.5147 2.5147 2.7625 2.7625 2.9171 2.9171 3.9439 3.9439 3.9850 3.9850 4.0843 4.0843 4.5655 4.5655 4.8483 4.8483 4.9077 4.9077 4.9720 4.9720 5.0388 5.0388 5.1119 5.1119 5.3901 5.3901 5.8491 5.8491 6.0752 6.0752 9.0337 9.0337 10.1326 10.1326 10.2893 10.2893 11.0953 11.0953 11.3327 11.3327 11.6890 11.6890 12.3152 12.3152 k = 0.0000 0.6017 0.3502 ( 6877 PWs) bands (ev): -19.0996 -19.0996 -19.0980 -19.0980 -12.5112 -12.5112 -12.4032 -12.4032 -10.8354 -10.8354 -10.7898 -10.7898 -10.7452 -10.7452 -10.7067 -10.7067 -5.7782 -5.7782 -5.7649 -5.7649 -4.0869 -4.0869 -3.9880 -3.9880 -3.7998 -3.7998 -3.7639 -3.7639 -3.0674 -3.0674 -2.4582 -2.4582 1.6457 1.6457 1.9266 1.9266 2.2399 2.2399 2.5152 2.5152 2.7745 2.7745 2.9204 2.9204 3.9478 3.9478 3.9741 3.9741 4.0876 4.0876 4.5709 4.5709 4.8455 4.8455 4.9095 4.9095 4.9740 4.9740 5.0280 5.0280 5.1231 5.1231 5.3762 5.3762 5.8521 5.8521 6.0851 6.0851 9.0282 9.0282 10.1366 10.1366 10.2743 10.2743 11.0929 11.0929 11.3360 11.3360 11.6660 11.6660 12.3007 12.3007 k = 0.0000 0.6083 0.3331 ( 6874 PWs) bands (ev): -19.0994 -19.0994 -19.0981 -19.0981 -12.5100 -12.5100 -12.4021 -12.4021 -10.8375 -10.8375 -10.7913 -10.7913 -10.7438 -10.7438 -10.7086 -10.7086 -5.7773 -5.7773 -5.7644 -5.7644 -4.0861 -4.0861 -3.9875 -3.9875 -3.7978 -3.7978 -3.7583 -3.7583 -3.0747 -3.0747 -2.4653 -2.4653 1.6455 1.6455 1.9284 1.9284 2.2412 2.2412 2.5153 2.5153 2.7856 2.7856 2.9232 2.9232 3.9503 3.9503 3.9650 3.9650 4.0906 4.0906 4.5752 4.5752 4.8434 4.8434 4.9126 4.9126 4.9754 4.9754 5.0171 5.0171 5.1353 5.1353 5.3620 5.3620 5.8542 5.8542 6.0941 6.0941 9.0232 9.0232 10.1418 10.1418 10.2598 10.2598 11.0908 11.0908 11.3397 11.3397 11.6464 11.6464 12.2864 12.2864 k = 0.0000 0.6149 0.3159 ( 6874 PWs) bands (ev): -19.0992 -19.0992 -19.0982 -19.0982 -12.5090 -12.5090 -12.4012 -12.4012 -10.8394 -10.8394 -10.7926 -10.7926 -10.7426 -10.7426 -10.7102 -10.7102 -5.7766 -5.7766 -5.7641 -5.7641 -4.0854 -4.0854 -3.9870 -3.9870 -3.7960 -3.7960 -3.7534 -3.7534 -3.0809 -3.0809 -2.4714 -2.4714 1.6453 1.6453 1.9300 1.9300 2.2423 2.2423 2.5150 2.5150 2.7955 2.7955 2.9256 2.9256 3.9500 3.9500 3.9593 3.9593 4.0933 4.0933 4.5786 4.5786 4.8417 4.8417 4.9169 4.9169 4.9761 4.9761 5.0067 5.0067 5.1480 5.1480 5.3478 5.3478 5.8556 5.8556 6.1018 6.1018 9.0189 9.0189 10.1479 10.1479 10.2460 10.2460 11.0891 11.0891 11.3435 11.3435 11.6302 11.6302 12.2731 12.2731 k = 0.0000 0.6215 0.2987 ( 6872 PWs) bands (ev): -19.0991 -19.0991 -19.0982 -19.0982 -12.5082 -12.5082 -12.4005 -12.4005 -10.8408 -10.8408 -10.7936 -10.7936 -10.7416 -10.7416 -10.7115 -10.7115 -5.7760 -5.7760 -5.7638 -5.7638 -4.0849 -4.0849 -3.9867 -3.9867 -3.7946 -3.7946 -3.7495 -3.7495 -3.0858 -3.0858 -2.4763 -2.4763 1.6450 1.6450 1.9312 1.9312 2.2431 2.2431 2.5147 2.5147 2.8037 2.8037 2.9275 2.9275 3.9460 3.9460 3.9582 3.9582 4.0954 4.0954 4.5811 4.5811 4.8406 4.8406 4.9222 4.9222 4.9755 4.9755 4.9975 4.9975 5.1603 5.1603 5.3343 5.3343 5.8565 5.8565 6.1081 6.1081 9.0155 9.0155 10.1547 10.1547 10.2331 10.2331 11.0876 11.0876 11.3471 11.3471 11.6175 11.6175 12.2618 12.2618 k = 0.0000 0.6281 0.2816 ( 6870 PWs) bands (ev): -19.0990 -19.0990 -19.0983 -19.0983 -12.5076 -12.5076 -12.4000 -12.4000 -10.8419 -10.8419 -10.7944 -10.7944 -10.7409 -10.7409 -10.7125 -10.7125 -5.7756 -5.7756 -5.7636 -5.7636 -4.0845 -4.0845 -3.9865 -3.9865 -3.7935 -3.7935 -3.7466 -3.7466 -3.0894 -3.0894 -2.4799 -2.4799 1.6448 1.6448 1.9322 1.9322 2.2437 2.2437 2.5143 2.5143 2.8099 2.8099 2.9288 2.9288 3.9417 3.9417 3.9585 3.9585 4.0970 4.0970 4.5828 4.5828 4.8398 4.8398 4.9279 4.9279 4.9731 4.9731 4.9910 4.9910 5.1711 5.1711 5.3228 5.3228 5.8571 5.8571 6.1127 6.1127 9.0129 9.0129 10.1618 10.1618 10.2217 10.2217 11.0866 11.0866 11.3499 11.3499 11.6083 11.6083 12.2531 12.2531 k = 0.0000 0.6348 0.2644 ( 6868 PWs) bands (ev): -19.0990 -19.0990 -19.0982 -19.0982 -12.5072 -12.5072 -12.3996 -12.3996 -10.8426 -10.8426 -10.7948 -10.7948 -10.7404 -10.7404 -10.7131 -10.7131 -5.7753 -5.7753 -5.7635 -5.7635 -4.0842 -4.0842 -3.9864 -3.9864 -3.7928 -3.7928 -3.7448 -3.7448 -3.0915 -3.0915 -2.4820 -2.4820 1.6447 1.6447 1.9328 1.9328 2.2441 2.2441 2.5141 2.5141 2.8137 2.8137 2.9296 2.9296 3.9390 3.9390 3.9589 3.9589 4.0980 4.0980 4.5838 4.5838 4.8394 4.8394 4.9330 4.9330 4.9693 4.9693 4.9879 4.9879 5.1788 5.1788 5.3148 5.3148 5.8574 5.8574 6.1155 6.1155 9.0113 9.0113 10.1679 10.1679 10.2130 10.2130 11.0859 11.0859 11.3518 11.3518 11.6028 11.6028 12.2476 12.2476 k = 0.0000 0.6414 0.2473 ( 6868 PWs) bands (ev): -19.0990 -19.0990 -19.0982 -19.0982 -12.5071 -12.5071 -12.3995 -12.3995 -10.8428 -10.8428 -10.7949 -10.7949 -10.7403 -10.7403 -10.7133 -10.7133 -5.7752 -5.7752 -5.7635 -5.7635 -4.0841 -4.0841 -3.9864 -3.9864 -3.7926 -3.7926 -3.7442 -3.7442 -3.0923 -3.0923 -2.4828 -2.4828 1.6446 1.6446 1.9330 1.9330 2.2442 2.2442 2.5140 2.5140 2.8150 2.8150 2.9299 2.9299 3.9380 3.9380 3.9590 3.9590 4.0983 4.0983 4.5842 4.5842 4.8392 4.8392 4.9352 4.9352 4.9672 4.9672 4.9871 4.9871 5.1816 5.1816 5.3118 5.3118 5.8575 5.8575 6.1164 6.1164 9.0108 9.0108 10.1706 10.1706 10.2095 10.2095 11.0857 11.0857 11.3524 11.3524 11.6009 11.6009 12.2458 12.2458 k = 0.0000 0.6414 0.2473 ( 6868 PWs) bands (ev): -19.0990 -19.0990 -19.0982 -19.0982 -12.5071 -12.5071 -12.3995 -12.3995 -10.8428 -10.8428 -10.7949 -10.7949 -10.7403 -10.7403 -10.7133 -10.7133 -5.7752 -5.7752 -5.7635 -5.7635 -4.0841 -4.0841 -3.9864 -3.9864 -3.7926 -3.7926 -3.7442 -3.7442 -3.0923 -3.0923 -2.4828 -2.4828 1.6446 1.6446 1.9330 1.9330 2.2442 2.2442 2.5140 2.5140 2.8150 2.8150 2.9299 2.9299 3.9380 3.9380 3.9590 3.9590 4.0983 4.0983 4.5842 4.5842 4.8392 4.8392 4.9352 4.9352 4.9672 4.9672 4.9871 4.9871 5.1816 5.1816 5.3118 5.3118 5.8575 5.8575 6.1164 6.1164 9.0108 9.0108 10.1706 10.1706 10.2095 10.2095 11.0857 11.0857 11.3524 11.3524 11.6009 11.6009 12.2458 12.2458 k = 0.0185 0.6414 0.2473 ( 6872 PWs) bands (ev): -19.0990 -19.0990 -19.0982 -19.0982 -12.5068 -12.5068 -12.3994 -12.3994 -10.8432 -10.8432 -10.7949 -10.7949 -10.7413 -10.7413 -10.7129 -10.7129 -5.7749 -5.7749 -5.7632 -5.7632 -4.0834 -4.0834 -3.9855 -3.9855 -3.7925 -3.7925 -3.7441 -3.7441 -3.0925 -3.0925 -2.4839 -2.4839 1.6443 1.6443 1.9319 1.9319 2.2445 2.2445 2.5139 2.5139 2.8158 2.8158 2.9307 2.9307 3.9381 3.9381 3.9587 3.9587 4.0993 4.0993 4.5821 4.5821 4.8381 4.8381 4.9364 4.9364 4.9657 4.9657 4.9870 4.9870 5.1824 5.1824 5.3113 5.3113 5.8586 5.8586 6.1166 6.1166 9.0105 9.0105 10.1710 10.1710 10.2104 10.2104 11.0862 11.0862 11.3506 11.3506 11.6022 11.6022 12.2462 12.2462 k = 0.0370 0.6414 0.2473 ( 6876 PWs) bands (ev): -19.0990 -19.0990 -19.0982 -19.0982 -12.5059 -12.5059 -12.3990 -12.3990 -10.8444 -10.8444 -10.7946 -10.7946 -10.7440 -10.7440 -10.7119 -10.7119 -5.7742 -5.7742 -5.7624 -5.7624 -4.0811 -4.0811 -3.9829 -3.9829 -3.7924 -3.7924 -3.7439 -3.7439 -3.0934 -3.0934 -2.4874 -2.4874 1.6432 1.6432 1.9289 1.9289 2.2453 2.2453 2.5138 2.5138 2.8183 2.8183 2.9329 2.9329 3.9381 3.9381 3.9580 3.9580 4.1020 4.1020 4.5761 4.5761 4.8348 4.8348 4.9397 4.9397 4.9614 4.9614 4.9865 4.9865 5.1848 5.1848 5.3100 5.3100 5.8618 5.8618 6.1172 6.1172 9.0095 9.0095 10.1716 10.1716 10.2136 10.2136 11.0877 11.0877 11.3453 11.3453 11.6059 11.6059 12.2476 12.2476 k = 0.0556 0.6414 0.2473 ( 6874 PWs) bands (ev): -19.0990 -19.0990 -19.0982 -19.0982 -12.5045 -12.5045 -12.3983 -12.3983 -10.8464 -10.8464 -10.7943 -10.7943 -10.7482 -10.7482 -10.7107 -10.7107 -5.7729 -5.7729 -5.7610 -5.7610 -4.0772 -4.0772 -3.9786 -3.9786 -3.7922 -3.7922 -3.7436 -3.7436 -3.0947 -3.0947 -2.4932 -2.4932 1.6414 1.6414 1.9240 1.9240 2.2466 2.2466 2.5135 2.5135 2.8224 2.8224 2.9366 2.9366 3.9378 3.9378 3.9572 3.9572 4.1065 4.1065 4.5663 4.5663 4.8300 4.8300 4.9436 4.9436 4.9555 4.9555 4.9857 4.9857 5.1885 5.1885 5.3077 5.3077 5.8670 5.8670 6.1182 6.1182 9.0081 9.0081 10.1714 10.1714 10.2202 10.2202 11.0902 11.0902 11.3372 11.3372 11.6114 11.6114 12.2498 12.2498 k = 0.0741 0.6414 0.2473 ( 6870 PWs) bands (ev): -19.0989 -19.0989 -19.0982 -19.0982 -12.5025 -12.5025 -12.3974 -12.3974 -10.8492 -10.8492 -10.7939 -10.7939 -10.7534 -10.7534 -10.7096 -10.7096 -5.7712 -5.7712 -5.7591 -5.7591 -4.0719 -4.0719 -3.9726 -3.9726 -3.7919 -3.7919 -3.7432 -3.7432 -3.0966 -3.0966 -2.5013 -2.5013 1.6389 1.6389 1.9174 1.9174 2.2482 2.2482 2.5132 2.5132 2.8280 2.8280 2.9418 2.9418 3.9365 3.9365 3.9570 3.9570 4.1127 4.1127 4.5530 4.5530 4.8240 4.8240 4.9419 4.9419 4.9532 4.9532 4.9852 4.9852 5.1934 5.1934 5.3047 5.3047 5.8741 5.8741 6.1195 6.1195 9.0064 9.0064 10.1690 10.1690 10.2311 10.2311 11.0937 11.0937 11.3271 11.3271 11.6182 11.6182 12.2531 12.2531 k = 0.0926 0.6414 0.2473 ( 6868 PWs) bands (ev): -19.0989 -19.0989 -19.0982 -19.0982 -12.5000 -12.5000 -12.3962 -12.3962 -10.8526 -10.8526 -10.7934 -10.7934 -10.7593 -10.7593 -10.7086 -10.7086 -5.7690 -5.7690 -5.7568 -5.7568 -4.0651 -4.0651 -3.9651 -3.9651 -3.7914 -3.7914 -3.7426 -3.7426 -3.0990 -3.0990 -2.5116 -2.5116 1.6358 1.6358 1.9093 1.9093 2.2501 2.2501 2.5129 2.5129 2.8351 2.8351 2.9482 2.9482 3.9338 3.9338 3.9579 3.9579 4.1203 4.1203 4.5366 4.5366 4.8174 4.8174 4.9323 4.9323 4.9553 4.9553 4.9862 4.9862 5.1991 5.1991 5.3009 5.3009 5.8830 5.8830 6.1212 6.1212 9.0046 9.0046 10.1641 10.1641 10.2463 10.2463 11.0980 11.0980 11.3160 11.3160 11.6254 11.6254 12.2573 12.2573 k = 0.1111 0.6414 0.2473 ( 6864 PWs) bands (ev): -19.0989 -19.0989 -19.0982 -19.0982 -12.4970 -12.4970 -12.3949 -12.3949 -10.8566 -10.8566 -10.7931 -10.7931 -10.7658 -10.7658 -10.7080 -10.7080 -5.7664 -5.7664 -5.7540 -5.7540 -4.0568 -4.0568 -3.9559 -3.9559 -3.7909 -3.7909 -3.7419 -3.7419 -3.1019 -3.1019 -2.5241 -2.5241 1.6320 1.6320 1.8998 1.8998 2.2521 2.2521 2.5127 2.5127 2.8437 2.8437 2.9559 2.9559 3.9294 3.9294 3.9600 3.9600 4.1292 4.1292 4.5175 4.5175 4.8102 4.8102 4.9203 4.9203 4.9552 4.9552 4.9897 4.9897 5.2053 5.2053 5.2966 5.2966 5.8935 5.8935 6.1231 6.1231 9.0031 9.0031 10.1566 10.1566 10.2655 10.2655 11.1032 11.1032 11.3045 11.3045 11.6325 11.6325 12.2626 12.2626 k = 0.1296 0.6414 0.2473 ( 6866 PWs) bands (ev): -19.0988 -19.0988 -19.0981 -19.0981 -12.4935 -12.4935 -12.3933 -12.3933 -10.8612 -10.8612 -10.7933 -10.7933 -10.7724 -10.7724 -10.7077 -10.7077 -5.7634 -5.7634 -5.7508 -5.7508 -4.0472 -4.0472 -3.9453 -3.9453 -3.7902 -3.7902 -3.7411 -3.7411 -3.1053 -3.1053 -2.5387 -2.5387 1.6277 1.6277 1.8893 1.8893 2.2542 2.2542 2.5126 2.5126 2.8536 2.8536 2.9647 2.9647 3.9237 3.9237 3.9630 3.9630 4.1392 4.1392 4.4962 4.4962 4.8027 4.8027 4.9069 4.9069 4.9524 4.9524 4.9955 4.9955 5.2119 5.2119 5.2919 5.2919 5.9054 5.9054 6.1253 6.1253 9.0021 9.0021 10.1465 10.1465 10.2882 10.2882 11.1091 11.1091 11.2935 11.2935 11.6390 11.6390 12.2689 12.2689 k = 0.1481 0.6414 0.2473 ( 6866 PWs) bands (ev): -19.0988 -19.0988 -19.0981 -19.0981 -12.4895 -12.4895 -12.3916 -12.3916 -10.8663 -10.8663 -10.7948 -10.7948 -10.7782 -10.7782 -10.7078 -10.7078 -5.7601 -5.7601 -5.7473 -5.7473 -4.0363 -4.0363 -3.9333 -3.9333 -3.7893 -3.7893 -3.7402 -3.7402 -3.1091 -3.1091 -2.5554 -2.5554 1.6230 1.6230 1.8778 1.8778 2.2565 2.2565 2.5126 2.5126 2.8647 2.8647 2.9745 2.9745 3.9168 3.9168 3.9665 3.9665 4.1501 4.1501 4.4731 4.4731 4.7949 4.7949 4.8925 4.8925 4.9477 4.9477 5.0024 5.0024 5.2187 5.2187 5.2869 5.2869 5.9185 5.9185 6.1278 6.1278 9.0020 9.0020 10.1338 10.1338 10.3141 10.3141 11.1158 11.1158 11.2834 11.2834 11.6446 11.6446 12.2764 12.2764 k = 0.1667 0.6414 0.2473 ( 6874 PWs) bands (ev): -19.0987 -19.0987 -19.0981 -19.0981 -12.4851 -12.4851 -12.3897 -12.3897 -10.8718 -10.8718 -10.7989 -10.7989 -10.7816 -10.7816 -10.7082 -10.7082 -5.7565 -5.7565 -5.7436 -5.7436 -4.0242 -4.0242 -3.9201 -3.9201 -3.7882 -3.7882 -3.7392 -3.7392 -3.1134 -3.1134 -2.5740 -2.5740 1.6180 1.6180 1.8655 1.8655 2.2589 2.2589 2.5125 2.5125 2.8769 2.8769 2.9852 2.9852 3.9090 3.9090 3.9704 3.9704 4.1618 4.1618 4.4487 4.4487 4.7869 4.7869 4.8773 4.8773 4.9419 4.9419 5.0094 5.0094 5.2254 5.2254 5.2818 5.2818 5.9326 5.9326 6.1304 6.1304 9.0031 9.0031 10.1184 10.1184 10.3427 10.3427 11.1231 11.1231 11.2747 11.2747 11.6489 11.6489 12.2849 12.2849 k = 0.1852 0.6414 0.2473 ( 6876 PWs) bands (ev): -19.0987 -19.0987 -19.0981 -19.0981 -12.4803 -12.4803 -12.3878 -12.3878 -10.8776 -10.8776 -10.8059 -10.8059 -10.7826 -10.7826 -10.7090 -10.7090 -5.7525 -5.7525 -5.7396 -5.7396 -4.0109 -4.0109 -3.9059 -3.9059 -3.7869 -3.7869 -3.7381 -3.7381 -3.1180 -3.1180 -2.5944 -2.5944 1.6127 1.6127 1.8525 1.8525 2.2617 2.2617 2.5124 2.5124 2.8902 2.8902 2.9967 2.9967 3.9003 3.9003 3.9742 3.9742 4.1740 4.1740 4.4236 4.4236 4.7786 4.7786 4.8614 4.8614 4.9356 4.9356 5.0159 5.0159 5.2319 5.2319 5.2769 5.2769 5.9474 5.9474 6.1331 6.1331 9.0058 9.0058 10.1002 10.1002 10.3739 10.3739 11.1309 11.1309 11.2676 11.2676 11.6518 11.6518 12.2947 12.2947 k = 0.2037 0.6414 0.2473 ( 6878 PWs) bands (ev): -19.0986 -19.0986 -19.0980 -19.0980 -12.4751 -12.4751 -12.3859 -12.3859 -10.8836 -10.8836 -10.8143 -10.8143 -10.7823 -10.7823 -10.7101 -10.7101 -5.7484 -5.7484 -5.7355 -5.7355 -3.9965 -3.9965 -3.8908 -3.8908 -3.7852 -3.7852 -3.7368 -3.7368 -3.1228 -3.1228 -2.6166 -2.6166 1.6073 1.6073 1.8389 1.8389 2.2649 2.2649 2.5121 2.5121 2.9044 2.9044 3.0090 3.0090 3.8908 3.8908 3.9777 3.9777 4.1865 4.1865 4.3985 4.3985 4.7701 4.7701 4.8451 4.8451 4.9292 4.9292 5.0217 5.0217 5.2382 5.2382 5.2723 5.2723 5.9626 5.9626 6.1359 6.1359 9.0104 9.0104 10.0791 10.0791 10.4072 10.4072 11.1391 11.1391 11.2623 11.2623 11.6530 11.6530 12.3055 12.3055 k = 0.2222 0.6414 0.2473 ( 6878 PWs) bands (ev): -19.0986 -19.0986 -19.0980 -19.0980 -12.4697 -12.4697 -12.3839 -12.3839 -10.8898 -10.8898 -10.8235 -10.8235 -10.7814 -10.7814 -10.7114 -10.7114 -5.7442 -5.7442 -5.7313 -5.7313 -3.9813 -3.9813 -3.8753 -3.8753 -3.7831 -3.7831 -3.7353 -3.7353 -3.1279 -3.1279 -2.6404 -2.6404 1.6021 1.6021 1.8247 1.8247 2.2686 2.2686 2.5116 2.5116 2.9193 2.9193 3.0217 3.0217 3.8807 3.8807 3.9804 3.9804 4.1989 4.1989 4.3738 4.3738 4.7615 4.7615 4.8286 4.8286 4.9231 4.9231 5.0263 5.0263 5.2441 5.2441 5.2683 5.2683 5.9782 5.9782 6.1388 6.1388 9.0172 9.0172 10.0551 10.0551 10.4426 10.4426 11.1476 11.1476 11.2588 11.2588 11.6524 11.6524 12.3175 12.3175 k = 0.2407 0.6414 0.2473 ( 6874 PWs) bands (ev): -19.0985 -19.0985 -19.0980 -19.0980 -12.4639 -12.4639 -12.3820 -12.3820 -10.8960 -10.8960 -10.8330 -10.8330 -10.7802 -10.7802 -10.7131 -10.7131 -5.7398 -5.7398 -5.7271 -5.7271 -3.9654 -3.9654 -3.8597 -3.8597 -3.7802 -3.7802 -3.7336 -3.7336 -3.1330 -3.1330 -2.6657 -2.6657 1.5970 1.5970 1.8101 1.8101 2.2731 2.2731 2.5106 2.5106 2.9350 2.9350 3.0350 3.0350 3.8700 3.8700 3.9819 3.9819 4.2111 4.2111 4.3505 4.3505 4.7527 4.7527 4.8119 4.8119 4.9174 4.9174 5.0296 5.0296 5.2496 5.2496 5.2651 5.2651 5.9938 5.9938 6.1415 6.1415 9.0264 9.0264 10.0281 10.0281 10.4797 10.4797 11.1562 11.1562 11.2570 11.2570 11.6498 11.6498 12.3305 12.3305 k = 0.2593 0.6414 0.2473 ( 6876 PWs) bands (ev): -19.0985 -19.0985 -19.0979 -19.0979 -12.4580 -12.4580 -12.3802 -12.3802 -10.9022 -10.9022 -10.8427 -10.8427 -10.7788 -10.7788 -10.7149 -10.7149 -5.7354 -5.7354 -5.7230 -5.7230 -3.9488 -3.9488 -3.8447 -3.8447 -3.7764 -3.7764 -3.7316 -3.7316 -3.1380 -3.1380 -2.6924 -2.6924 1.5924 1.5924 1.7950 1.7950 2.2784 2.2784 2.5090 2.5090 2.9513 2.9513 3.0485 3.0485 3.8590 3.8590 3.9816 3.9816 4.2225 4.2225 4.3295 4.3295 4.7438 4.7438 4.7953 4.7953 4.9125 4.9125 5.0315 5.0315 5.2542 5.2542 5.2630 5.2630 6.0093 6.0093 6.1442 6.1442 9.0382 9.0382 9.9983 9.9983 10.5184 10.5184 11.1646 11.1646 11.2570 11.2570 11.6450 11.6450 12.3445 12.3445 k = 0.2778 0.6414 0.2473 ( 6874 PWs) bands (ev): -19.0984 -19.0984 -19.0979 -19.0979 -12.4518 -12.4518 -12.3786 -12.3786 -10.9082 -10.9082 -10.8525 -10.8525 -10.7772 -10.7772 -10.7170 -10.7170 -5.7310 -5.7310 -5.7189 -5.7189 -3.9319 -3.9319 -3.8311 -3.8311 -3.7711 -3.7711 -3.7292 -3.7292 -3.1427 -3.1427 -2.7202 -2.7202 1.5882 1.5882 1.7796 1.7796 2.2845 2.2845 2.5068 2.5068 2.9681 2.9681 3.0621 3.0621 3.8477 3.8477 3.9790 3.9790 4.2327 4.2327 4.3118 4.3118 4.7348 4.7348 4.7789 4.7789 4.9085 4.9085 5.0318 5.0318 5.2571 5.2571 5.2631 5.2631 6.0245 6.0245 6.1467 6.1467 9.0529 9.0529 9.9658 9.9658 10.5584 10.5584 11.1725 11.1725 11.2587 11.2587 11.6380 11.6380 12.3593 12.3593 k = 0.2963 0.6414 0.2473 ( 6872 PWs) bands (ev): -19.0983 -19.0983 -19.0979 -19.0979 -12.4456 -12.4456 -12.3772 -12.3772 -10.9139 -10.9139 -10.8622 -10.8622 -10.7755 -10.7755 -10.7193 -10.7193 -5.7266 -5.7266 -5.7151 -5.7151 -3.9148 -3.9148 -3.8197 -3.8197 -3.7639 -3.7639 -3.7260 -3.7260 -3.1469 -3.1469 -2.7490 -2.7490 1.5847 1.5847 1.7640 1.7640 2.2916 2.2916 2.5038 2.5038 2.9853 2.9853 3.0757 3.0757 3.8365 3.8365 3.9735 3.9735 4.2408 4.2408 4.2988 4.2988 4.7258 4.7258 4.7629 4.7629 4.9055 4.9055 5.0306 5.0306 5.2578 5.2578 5.2659 5.2659 6.0393 6.0393 6.1491 6.1491 9.0706 9.0706 9.9308 9.9308 10.5996 10.5996 11.1794 11.1794 11.2619 11.2619 11.6285 11.6285 12.3748 12.3748 k = 0.3148 0.6414 0.2473 ( 6874 PWs) bands (ev): -19.0983 -19.0983 -19.0978 -19.0978 -12.4394 -12.4394 -12.3760 -12.3760 -10.9194 -10.9194 -10.8717 -10.8717 -10.7736 -10.7736 -10.7217 -10.7217 -5.7224 -5.7224 -5.7114 -5.7114 -3.8978 -3.8978 -3.8111 -3.8111 -3.7551 -3.7551 -3.7218 -3.7218 -3.1503 -3.1503 -2.7786 -2.7786 1.5820 1.5820 1.7483 1.7483 2.2995 2.2995 2.4999 2.4999 3.0028 3.0028 3.0890 3.0890 3.8255 3.8255 3.9648 3.9648 4.2458 4.2458 4.2917 4.2917 4.7169 4.7169 4.7475 4.7475 4.9037 4.9037 5.0279 5.0279 5.2582 5.2582 5.2692 5.2692 6.0534 6.0534 6.1511 6.1511 9.0913 9.0913 9.8933 9.8933 10.6418 10.6418 11.1849 11.1849 11.2669 11.2669 11.6165 11.6165 12.3908 12.3908 k = 0.3333 0.6414 0.2473 ( 6868 PWs) bands (ev): -19.0982 -19.0982 -19.0978 -19.0978 -12.4331 -12.4331 -12.3751 -12.3751 -10.9243 -10.9243 -10.8809 -10.8809 -10.7716 -10.7716 -10.7242 -10.7242 -5.7183 -5.7183 -5.7081 -5.7081 -3.8813 -3.8813 -3.8050 -3.8050 -3.7456 -3.7456 -3.7161 -3.7161 -3.1526 -3.1526 -2.8089 -2.8089 1.5801 1.5801 1.7326 1.7326 2.3084 2.3084 2.4951 2.4951 3.0203 3.0203 3.1018 3.1018 3.8150 3.8150 3.9528 3.9528 4.2477 4.2477 4.2905 4.2905 4.7081 4.7081 4.7330 4.7330 4.9032 4.9032 5.0237 5.0237 5.2592 5.2592 5.2723 5.2723 6.0668 6.0668 6.1528 6.1528 9.1151 9.1151 9.8537 9.8537 10.6848 10.6848 11.1881 11.1881 11.2736 11.2736 11.6019 11.6019 12.4071 12.4071 k = 0.3519 0.6414 0.2473 ( 6862 PWs) bands (ev): -19.0981 -19.0981 -19.0978 -19.0978 -12.4269 -12.4269 -12.3746 -12.3746 -10.9288 -10.9288 -10.8897 -10.8897 -10.7696 -10.7696 -10.7269 -10.7269 -5.7145 -5.7145 -5.7051 -5.7051 -3.8655 -3.8655 -3.8008 -3.8008 -3.7367 -3.7367 -3.7085 -3.7085 -3.1533 -3.1533 -2.8396 -2.8396 1.5793 1.5793 1.7171 1.7171 2.3180 2.3180 2.4893 2.4893 3.0377 3.0377 3.1138 3.1138 3.8054 3.8054 3.9380 3.9380 4.2486 4.2486 4.2930 4.2930 4.6996 4.6996 4.7194 4.7194 4.9041 4.9041 5.0183 5.0183 5.2607 5.2607 5.2750 5.2750 6.0793 6.0793 6.1542 6.1542 9.1419 9.1419 9.8123 9.8123 10.7283 10.7283 11.1886 11.1886 11.2822 11.2822 11.5847 11.5847 12.4234 12.4234 k = 0.3704 0.6414 0.2473 ( 6852 PWs) bands (ev): -19.0981 -19.0981 -19.0978 -19.0978 -12.4209 -12.4209 -12.3744 -12.3744 -10.9326 -10.9326 -10.8980 -10.8980 -10.7674 -10.7674 -10.7296 -10.7296 -5.7109 -5.7109 -5.7024 -5.7024 -3.8509 -3.8509 -3.7978 -3.7978 -3.7288 -3.7288 -3.6996 -3.6996 -3.1522 -3.1522 -2.8705 -2.8705 1.5795 1.5795 1.7019 1.7019 2.3285 2.3285 2.4826 2.4826 3.0549 3.0549 3.1246 3.1246 3.7970 3.7970 3.9208 3.9208 4.2502 4.2502 4.2965 4.2965 4.6914 4.6914 4.7072 4.7072 4.9062 4.9062 5.0118 5.0118 5.2626 5.2626 5.2771 5.2771 6.0909 6.0909 6.1551 6.1551 9.1717 9.1717 9.7692 9.7692 10.7721 10.7721 11.1860 11.1860 11.2925 11.2925 11.5652 11.5652 12.4393 12.4393 k = 0.3889 0.6414 0.2473 ( 6850 PWs) bands (ev): -19.0980 -19.0980 -19.0978 -19.0978 -12.4150 -12.4150 -12.3747 -12.3747 -10.9357 -10.9357 -10.9058 -10.9058 -10.7651 -10.7651 -10.7324 -10.7324 -5.7076 -5.7076 -5.7001 -5.7001 -3.8377 -3.8377 -3.7957 -3.7957 -3.7214 -3.7214 -3.6907 -3.6907 -3.1488 -3.1488 -2.9012 -2.9012 1.5809 1.5809 1.6871 1.6871 2.3395 2.3395 2.4749 2.4749 3.0715 3.0715 3.1341 3.1341 3.7902 3.7902 3.9022 3.9022 4.2534 4.2534 4.2996 4.2996 4.6838 4.6838 4.6963 4.6963 4.9097 4.9097 5.0044 5.0044 5.2649 5.2649 5.2788 5.2788 6.1016 6.1016 6.1555 6.1555 9.2043 9.2043 9.7247 9.7247 10.8159 10.8159 11.1797 11.1797 11.3044 11.3044 11.5437 11.5437 12.4547 12.4547 k = 0.4074 0.6414 0.2473 ( 6850 PWs) bands (ev): -19.0980 -19.0980 -19.0978 -19.0978 -12.4094 -12.4094 -12.3755 -12.3755 -10.9380 -10.9380 -10.9129 -10.9129 -10.7627 -10.7627 -10.7352 -10.7352 -5.7046 -5.7046 -5.6982 -5.6982 -3.8264 -3.8264 -3.7943 -3.7943 -3.7140 -3.7140 -3.6828 -3.6828 -3.1427 -3.1427 -2.9317 -2.9317 1.5834 1.5834 1.6729 1.6729 2.3511 2.3511 2.4662 2.4662 3.0874 3.0874 3.1417 3.1417 3.7854 3.7854 3.8830 3.8830 4.2580 4.2580 4.3016 4.3016 4.6769 4.6769 4.6869 4.6869 4.9143 4.9143 4.9962 4.9962 5.2673 5.2673 5.2799 5.2799 6.1112 6.1112 6.1554 6.1554 9.2396 9.2396 9.6792 9.6792 10.8594 10.8594 11.1696 11.1696 11.3178 11.3178 11.5207 11.5207 12.4692 12.4692 k = 0.4259 0.6414 0.2473 ( 6854 PWs) bands (ev): -19.0979 -19.0979 -19.0978 -19.0978 -12.4040 -12.4040 -12.3767 -12.3767 -10.9396 -10.9396 -10.9193 -10.9193 -10.7602 -10.7602 -10.7381 -10.7381 -5.7020 -5.7020 -5.6968 -5.6968 -3.8170 -3.8170 -3.7935 -3.7935 -3.7062 -3.7062 -3.6769 -3.6769 -3.1336 -3.1336 -2.9614 -2.9614 1.5872 1.5872 1.6594 1.6594 2.3631 2.3631 2.4568 2.4568 3.1021 3.1021 3.1472 3.1472 3.7831 3.7831 3.8639 3.8639 4.2638 4.2638 4.3021 4.3021 4.6711 4.6711 4.6790 4.6790 4.9200 4.9200 4.9876 4.9876 5.2698 5.2698 5.2805 5.2805 6.1199 6.1199 6.1547 6.1547 9.2774 9.2774 9.6330 9.6330 10.9021 10.9021 11.1554 11.1554 11.3325 11.3325 11.4967 11.4967 12.4827 12.4827 k = 0.4444 0.6414 0.2473 ( 6858 PWs) bands (ev): -19.0979 -19.0979 -19.0978 -19.0978 -12.3990 -12.3990 -12.3784 -12.3784 -10.9402 -10.9402 -10.9249 -10.9249 -10.7576 -10.7576 -10.7410 -10.7410 -5.6998 -5.6998 -5.6958 -5.6958 -3.8095 -3.8095 -3.7932 -3.7932 -3.6983 -3.6983 -3.6734 -3.6734 -3.1215 -3.1215 -2.9902 -2.9902 1.5921 1.5921 1.6467 1.6467 2.3753 2.3753 2.4465 2.4465 3.1155 3.1155 3.1504 3.1504 3.7834 3.7834 3.8457 3.8457 4.2702 4.2702 4.3011 4.3011 4.6666 4.6666 4.6726 4.6726 4.9267 4.9267 4.9785 4.9785 5.2722 5.2722 5.2806 5.2806 6.1275 6.1275 6.1532 6.1532 9.3174 9.3174 9.5864 9.5864 10.9437 10.9437 11.1369 11.1369 11.3485 11.3485 11.4726 11.4726 12.4949 12.4949 k = 0.4630 0.6414 0.2473 ( 6860 PWs) bands (ev): -19.0979 -19.0979 -19.0978 -19.0978 -12.3944 -12.3944 -12.3806 -12.3806 -10.9400 -10.9400 -10.9297 -10.9297 -10.7550 -10.7550 -10.7438 -10.7438 -5.6980 -5.6980 -5.6953 -5.6953 -3.8038 -3.8038 -3.7936 -3.7936 -3.6906 -3.6906 -3.6725 -3.6725 -3.1062 -3.1062 -3.0176 -3.0176 1.5984 1.5984 1.6349 1.6349 2.3877 2.3877 2.4356 2.4356 3.1271 3.1271 3.1509 3.1509 3.7867 3.7867 3.8290 3.8290 4.2769 4.2769 4.2985 4.2985 4.6636 4.6636 4.6677 4.6677 4.9342 4.9342 4.9693 4.9693 5.2745 5.2745 5.2802 5.2802 6.1340 6.1340 6.1511 6.1511 9.3593 9.3593 9.5398 9.5398 10.9836 10.9836 11.1141 11.1141 11.3658 11.3658 11.4489 11.4489 12.5060 12.5068 k = 0.4815 0.6414 0.2473 ( 6868 PWs) bands (ev): -19.0978 -19.0978 -19.0978 -19.0978 -12.3903 -12.3903 -12.3833 -12.3833 -10.9388 -10.9388 -10.9337 -10.9337 -10.7523 -10.7523 -10.7467 -10.7467 -5.6966 -5.6966 -5.6953 -5.6953 -3.7996 -3.7996 -3.7947 -3.7947 -3.6837 -3.6837 -3.6742 -3.6742 -3.0879 -3.0879 -3.0433 -3.0433 1.6058 1.6058 1.6241 1.6241 2.4001 2.4001 2.4242 2.4242 3.1368 3.1368 3.1488 3.1488 3.7930 3.7930 3.8144 3.8144 4.2835 4.2835 4.2946 4.2946 4.6622 4.6622 4.6643 4.6643 4.9424 4.9424 4.9601 4.9601 5.2764 5.2764 5.2794 5.2794 6.1397 6.1397 6.1481 6.1481 9.4028 9.4028 9.4934 9.4934 11.0212 11.0212 11.0869 11.0869 11.3844 11.3844 11.4261 11.4261 12.5161 12.5174 k = 0.5000 0.6414 0.2473 ( 6864 PWs) bands (ev): -19.0978 -19.0978 -19.0978 -19.0978 -12.3866 -12.3866 -12.3866 -12.3866 -10.9367 -10.9367 -10.9367 -10.9367 -10.7495 -10.7495 -10.7495 -10.7495 -5.6957 -5.6957 -5.6957 -5.6957 -3.7967 -3.7967 -3.7967 -3.7967 -3.6780 -3.6780 -3.6780 -3.6780 -3.0668 -3.0668 -3.0668 -3.0668 1.6144 1.6144 1.6144 1.6144 2.4123 2.4123 2.4123 2.4123 3.1441 3.1441 3.1441 3.1441 3.8023 3.8023 3.8023 3.8023 4.2895 4.2895 4.2895 4.2895 4.6624 4.6624 4.6624 4.6624 4.9511 4.9511 4.9511 4.9511 5.2781 5.2781 5.2781 5.2781 6.1443 6.1443 6.1443 6.1443 9.4476 9.4476 9.4476 9.4476 11.0558 11.0558 11.0558 11.0558 11.4045 11.4045 11.4045 11.4046 12.5255 12.5255 k = 0.5000 0.6414 0.2473 ( 6864 PWs) bands (ev): -19.0978 -19.0978 -19.0978 -19.0978 -12.3866 -12.3866 -12.3866 -12.3866 -10.9367 -10.9367 -10.9367 -10.9367 -10.7495 -10.7495 -10.7495 -10.7495 -5.6957 -5.6957 -5.6957 -5.6957 -3.7967 -3.7967 -3.7967 -3.7967 -3.6780 -3.6780 -3.6780 -3.6780 -3.0668 -3.0668 -3.0668 -3.0668 1.6144 1.6144 1.6144 1.6144 2.4123 2.4123 2.4123 2.4123 3.1441 3.1441 3.1441 3.1441 3.8023 3.8023 3.8023 3.8023 4.2895 4.2895 4.2895 4.2895 4.6624 4.6624 4.6624 4.6624 4.9511 4.9511 4.9511 4.9511 5.2781 5.2781 5.2781 5.2781 6.1443 6.1443 6.1443 6.1443 9.4476 9.4476 9.4476 9.4476 11.0558 11.0558 11.0558 11.0558 11.4045 11.4045 11.4045 11.4046 12.5254 12.5254 k = 0.5000 0.6480 0.2301 ( 6866 PWs) bands (ev): -19.0978 -19.0978 -19.0978 -19.0978 -12.3869 -12.3869 -12.3866 -12.3866 -10.9369 -10.9369 -10.9365 -10.9365 -10.7493 -10.7493 -10.7492 -10.7492 -5.6962 -5.6962 -5.6955 -5.6955 -3.7977 -3.7977 -3.7966 -3.7966 -3.6821 -3.6821 -3.6747 -3.6747 -3.0683 -3.0683 -3.0630 -3.0630 1.6135 1.6135 1.6150 1.6150 2.4098 2.4098 2.4143 2.4143 3.1396 3.1396 3.1479 3.1479 3.8023 3.8023 3.8027 3.8027 4.2883 4.2883 4.2902 4.2902 4.6623 4.6623 4.6626 4.6626 4.9508 4.9508 4.9521 4.9521 5.2773 5.2773 5.2778 5.2778 6.1422 6.1422 6.1453 6.1453 9.4479 9.4479 9.4507 9.4507 11.0529 11.0529 11.0594 11.0594 11.4025 11.4025 11.4066 11.4066 12.5247 12.5267 k = 0.5000 0.6546 0.2129 ( 6862 PWs) bands (ev): -19.0978 -19.0978 -19.0978 -19.0978 -12.3875 -12.3875 -12.3869 -12.3869 -10.9371 -10.9371 -10.9363 -10.9363 -10.7485 -10.7485 -10.7483 -10.7483 -5.6969 -5.6969 -5.6956 -5.6956 -3.7997 -3.7997 -3.7977 -3.7977 -3.6866 -3.6866 -3.6722 -3.6722 -3.0675 -3.0675 -3.0569 -3.0569 1.6124 1.6124 1.6152 1.6152 2.4071 2.4071 2.4160 2.4160 3.1347 3.1347 3.1510 3.1510 3.8029 3.8029 3.8036 3.8036 4.2867 4.2867 4.2906 4.2906 4.6621 4.6621 4.6628 4.6628 4.9512 4.9512 4.9538 4.9538 5.2756 5.2756 5.2765 5.2765 6.1390 6.1390 6.1452 6.1452 9.4517 9.4517 9.4573 9.4573 11.0508 11.0508 11.0638 11.0638 11.4003 11.4003 11.4087 11.4087 12.5277 12.5299 k = 0.5000 0.6612 0.1958 ( 6864 PWs) bands (ev): -19.0979 -19.0979 -19.0978 -19.0978 -12.3883 -12.3883 -12.3875 -12.3875 -10.9373 -10.9373 -10.9361 -10.9361 -10.7472 -10.7472 -10.7469 -10.7469 -5.6979 -5.6979 -5.6959 -5.6959 -3.8025 -3.8025 -3.7999 -3.7999 -3.6914 -3.6914 -3.6708 -3.6708 -3.0643 -3.0643 -3.0488 -3.0488 1.6109 1.6109 1.6153 1.6153 2.4040 2.4040 2.4173 2.4173 3.1291 3.1291 3.1536 3.1536 3.8039 3.8039 3.8049 3.8049 4.2848 4.2848 4.2905 4.2905 4.6619 4.6619 4.6630 4.6630 4.9524 4.9524 4.9562 4.9562 5.2728 5.2728 5.2743 5.2743 6.1348 6.1348 6.1440 6.1440 9.4589 9.4589 9.4673 9.4673 11.0493 11.0493 11.0688 11.0688 11.3982 11.3982 11.4109 11.4109 12.5269 12.5327 k = 0.5000 0.6678 0.1786 ( 6868 PWs) bands (ev): -19.0979 -19.0979 -19.0979 -19.0979 -12.3895 -12.3895 -12.3883 -12.3883 -10.9375 -10.9375 -10.9360 -10.9360 -10.7454 -10.7454 -10.7449 -10.7449 -5.6991 -5.6991 -5.6965 -5.6965 -3.8061 -3.8061 -3.8034 -3.8034 -3.6962 -3.6962 -3.6702 -3.6702 -3.0587 -3.0587 -3.0390 -3.0390 1.6092 1.6092 1.6150 1.6150 2.4007 2.4007 2.4183 2.4183 3.1231 3.1231 3.1554 3.1554 3.8053 3.8053 3.8067 3.8067 4.2825 4.2825 4.2900 4.2900 4.6617 4.6617 4.6633 4.6633 4.9542 4.9542 4.9592 4.9592 5.2692 5.2692 5.2711 5.2711 6.1294 6.1294 6.1418 6.1418 9.4694 9.4694 9.4805 9.4805 11.0484 11.0484 11.0745 11.0745 11.3963 11.3963 11.4133 11.4133 12.5326 12.5361 k = 0.5000 0.6745 0.1615 ( 6876 PWs) bands (ev): -19.0979 -19.0979 -19.0979 -19.0979 -12.3909 -12.3909 -12.3895 -12.3895 -10.9377 -10.9377 -10.9358 -10.9358 -10.7431 -10.7431 -10.7425 -10.7425 -5.7006 -5.7006 -5.6973 -5.6973 -3.8105 -3.8105 -3.8083 -3.8083 -3.7006 -3.7006 -3.6705 -3.6705 -3.0510 -3.0510 -3.0275 -3.0275 1.6073 1.6073 1.6145 1.6145 2.3971 2.3971 2.4189 2.4189 3.1167 3.1167 3.1566 3.1566 3.8070 3.8070 3.8089 3.8089 4.2799 4.2799 4.2890 4.2890 4.6615 4.6615 4.6637 4.6637 4.9567 4.9567 4.9628 4.9628 5.2648 5.2648 5.2671 5.2671 6.1231 6.1231 6.1384 6.1384 9.4830 9.4830 9.4968 9.4968 11.0481 11.0481 11.0806 11.0806 11.3947 11.3947 11.4163 11.4163 12.5315 12.5395 k = 0.5000 0.6811 0.1443 ( 6882 PWs) bands (ev): -19.0980 -19.0980 -19.0980 -19.0980 -12.3925 -12.3925 -12.3909 -12.3909 -10.9378 -10.9378 -10.9357 -10.9357 -10.7404 -10.7404 -10.7397 -10.7397 -5.7023 -5.7023 -5.6984 -5.6984 -3.8156 -3.8156 -3.8144 -3.8144 -3.7045 -3.7045 -3.6716 -3.6716 -3.0413 -3.0413 -3.0147 -3.0147 1.6050 1.6050 1.6137 1.6137 2.3933 2.3933 2.4192 2.4192 3.1099 3.1099 3.1571 3.1571 3.8091 3.8091 3.8114 3.8114 4.2769 4.2769 4.2874 4.2874 4.6613 4.6613 4.6641 4.6641 4.9598 4.9598 4.9669 4.9669 5.2597 5.2597 5.2625 5.2625 6.1157 6.1157 6.1341 6.1341 9.4996 9.4996 9.5160 9.5160 11.0483 11.0483 11.0870 11.0870 11.3938 11.3938 11.4200 11.4200 12.5357 12.5480 k = 0.5000 0.6877 0.1271 ( 6878 PWs) bands (ev): -19.0980 -19.0980 -19.0980 -19.0980 -12.3943 -12.3943 -12.3925 -12.3925 -10.9378 -10.9378 -10.9355 -10.9355 -10.7374 -10.7374 -10.7364 -10.7364 -5.7041 -5.7041 -5.6996 -5.6996 -3.8218 -3.8218 -3.8213 -3.8213 -3.7078 -3.7078 -3.6732 -3.6732 -3.0299 -3.0299 -3.0009 -3.0009 1.6026 1.6026 1.6127 1.6127 2.3893 2.3893 2.4192 2.4192 3.1027 3.1027 3.1569 3.1569 3.8114 3.8114 3.8141 3.8141 4.2736 4.2736 4.2854 4.2854 4.6612 4.6612 4.6647 4.6647 4.9633 4.9633 4.9713 4.9713 5.2541 5.2541 5.2572 5.2572 6.1074 6.1074 6.1288 6.1288 9.5188 9.5188 9.5378 9.5378 11.0488 11.0488 11.0936 11.0936 11.3938 11.3938 11.4246 11.4246 12.5397 12.5536 k = 0.5000 0.6943 0.1100 ( 6876 PWs) bands (ev): -19.0981 -19.0981 -19.0981 -19.0981 -12.3963 -12.3963 -12.3943 -12.3943 -10.9378 -10.9378 -10.9353 -10.9353 -10.7340 -10.7340 -10.7329 -10.7329 -5.7061 -5.7061 -5.7011 -5.7011 -3.8301 -3.8301 -3.8277 -3.8277 -3.7104 -3.7104 -3.6752 -3.6752 -3.0169 -3.0169 -2.9862 -2.9862 1.5999 1.5999 1.6114 1.6114 2.3853 2.3853 2.4190 2.4190 3.0952 3.0952 3.1561 3.1561 3.8138 3.8138 3.8170 3.8170 4.2700 4.2700 4.2829 4.2829 4.6610 4.6610 4.6653 4.6653 4.9672 4.9672 4.9760 4.9760 5.2480 5.2480 5.2516 5.2516 6.0983 6.0983 6.1225 6.1225 9.5403 9.5403 9.5618 9.5618 11.0496 11.0496 11.1002 11.1002 11.3951 11.3951 11.4304 11.4304 12.5404 12.5558 k = 0.5000 0.7009 0.0928 ( 6870 PWs) bands (ev): -19.0982 -19.0982 -19.0982 -19.0982 -12.3985 -12.3985 -12.3963 -12.3963 -10.9377 -10.9377 -10.9351 -10.9351 -10.7304 -10.7304 -10.7291 -10.7291 -5.7082 -5.7082 -5.7027 -5.7027 -3.8391 -3.8391 -3.8345 -3.8345 -3.7124 -3.7124 -3.6774 -3.6774 -3.0027 -3.0027 -2.9708 -2.9708 1.5970 1.5970 1.6100 1.6100 2.3812 2.3812 2.4185 2.4185 3.0874 3.0874 3.1547 3.1547 3.8164 3.8164 3.8201 3.8201 4.2661 4.2661 4.2799 4.2799 4.6609 4.6609 4.6661 4.6661 4.9714 4.9714 4.9809 4.9809 5.2417 5.2417 5.2457 5.2457 6.0883 6.0883 6.1154 6.1154 9.5640 9.5640 9.5879 9.5879 11.0507 11.0507 11.1065 11.1065 11.3979 11.3979 11.4376 11.4376 12.5435 12.5605 k = 0.5000 0.7075 0.0757 ( 6872 PWs) bands (ev): -19.0983 -19.0983 -19.0983 -19.0983 -12.4008 -12.4008 -12.3984 -12.3984 -10.9375 -10.9375 -10.9348 -10.9348 -10.7267 -10.7267 -10.7251 -10.7251 -5.7105 -5.7105 -5.7045 -5.7045 -3.8486 -3.8486 -3.8418 -3.8418 -3.7139 -3.7139 -3.6798 -3.6798 -2.9875 -2.9875 -2.9551 -2.9551 1.5939 1.5939 1.6083 1.6083 2.3770 2.3770 2.4179 2.4179 3.0793 3.0793 3.1526 3.1526 3.8191 3.8191 3.8233 3.8233 4.2620 4.2620 4.2765 4.2765 4.6608 4.6608 4.6669 4.6669 4.9757 4.9757 4.9859 4.9859 5.2353 5.2353 5.2396 5.2396 6.0777 6.0777 6.1075 6.1075 9.5894 9.5894 9.6157 9.6157 11.0520 11.0520 11.1125 11.1125 11.4026 11.4026 11.4464 11.4464 12.5461 12.5584 k = 0.5000 0.7141 0.0585 ( 6868 PWs) bands (ev): -19.0984 -19.0984 -19.0984 -19.0984 -12.4031 -12.4031 -12.4006 -12.4006 -10.9371 -10.9371 -10.9344 -10.9344 -10.7228 -10.7228 -10.7210 -10.7210 -5.7127 -5.7127 -5.7063 -5.7063 -3.8584 -3.8584 -3.8494 -3.8494 -3.7149 -3.7149 -3.6822 -3.6822 -2.9716 -2.9716 -2.9392 -2.9392 1.5906 1.5906 1.6065 1.6065 2.3729 2.3729 2.4171 2.4171 3.0709 3.0709 3.1499 3.1499 3.8218 3.8218 3.8265 3.8265 4.2577 4.2577 4.2727 4.2727 4.6607 4.6607 4.6677 4.6677 4.9799 4.9799 4.9908 4.9908 5.2288 5.2288 5.2337 5.2337 6.0663 6.0663 6.0988 6.0988 9.6162 9.6162 9.6447 9.6447 11.0535 11.0535 11.1179 11.1179 11.4093 11.4093 11.4568 11.4568 12.5576 12.5710 k = 0.5000 0.7141 0.0585 ( 6868 PWs) bands (ev): -19.0984 -19.0984 -19.0984 -19.0984 -12.4031 -12.4031 -12.4006 -12.4006 -10.9371 -10.9371 -10.9344 -10.9344 -10.7228 -10.7228 -10.7210 -10.7210 -5.7127 -5.7127 -5.7063 -5.7063 -3.8584 -3.8584 -3.8494 -3.8494 -3.7149 -3.7149 -3.6822 -3.6822 -2.9716 -2.9716 -2.9392 -2.9392 1.5906 1.5906 1.6065 1.6065 2.3729 2.3729 2.4171 2.4171 3.0709 3.0709 3.1499 3.1499 3.8218 3.8218 3.8265 3.8265 4.2577 4.2577 4.2727 4.2727 4.6607 4.6607 4.6677 4.6677 4.9799 4.9799 4.9908 4.9908 5.2288 5.2288 5.2337 5.2337 6.0663 6.0663 6.0988 6.0988 9.6162 9.6162 9.6447 9.6447 11.0535 11.0535 11.1179 11.1179 11.4093 11.4093 11.4568 11.4568 12.5469 12.5487 k = 0.5000 0.7090 0.0408 ( 6874 PWs) bands (ev): -19.0983 -19.0983 -19.0983 -19.0983 -12.4033 -12.4033 -12.4009 -12.4009 -10.9379 -10.9379 -10.9352 -10.9352 -10.7212 -10.7212 -10.7195 -10.7195 -5.7147 -5.7147 -5.7081 -5.7081 -3.8690 -3.8690 -3.8579 -3.8579 -3.7149 -3.7149 -3.6843 -3.6843 -2.9613 -2.9613 -2.9288 -2.9288 1.5894 1.5894 1.6037 1.6037 2.3810 2.3810 2.4234 2.4234 3.0722 3.0722 3.1475 3.1475 3.8217 3.8217 3.8265 3.8265 4.2564 4.2564 4.2712 4.2712 4.6649 4.6649 4.6725 4.6725 4.9813 4.9813 4.9916 4.9916 5.2258 5.2258 5.2307 5.2307 6.0678 6.0678 6.0981 6.0981 9.6329 9.6329 9.6609 9.6609 11.0529 11.0529 11.1126 11.1126 11.4039 11.4039 11.4469 11.4469 12.5577 12.5638 k = 0.5000 0.7038 0.0232 ( 6884 PWs) bands (ev): -19.0982 -19.0982 -19.0982 -19.0982 -12.4035 -12.4035 -12.4012 -12.4012 -10.9386 -10.9386 -10.9360 -10.9360 -10.7196 -10.7196 -10.7181 -10.7181 -5.7167 -5.7167 -5.7099 -5.7099 -3.8794 -3.8794 -3.8667 -3.8667 -3.7147 -3.7147 -3.6865 -3.6865 -2.9506 -2.9506 -2.9186 -2.9186 1.5880 1.5880 1.6008 1.6008 2.3894 2.3894 2.4297 2.4297 3.0734 3.0734 3.1447 3.1447 3.8218 3.8218 3.8266 3.8266 4.2549 4.2549 4.2692 4.2692 4.6691 4.6691 4.6774 4.6774 4.9826 4.9826 4.9922 4.9922 5.2228 5.2228 5.2278 5.2278 6.0687 6.0687 6.0968 6.0968 9.6506 9.6506 9.6779 9.6779 11.0512 11.0512 11.1058 11.1058 11.4010 11.4010 11.4392 11.4392 12.5589 12.5796 k = 0.5000 0.6986 0.0055 ( 6898 PWs) bands (ev): -19.0981 -19.0981 -19.0981 -19.0981 -12.4037 -12.4037 -12.4015 -12.4015 -10.9392 -10.9392 -10.9367 -10.9367 -10.7180 -10.7180 -10.7166 -10.7166 -5.7186 -5.7186 -5.7119 -5.7119 -3.8895 -3.8895 -3.8756 -3.8756 -3.7144 -3.7144 -3.6886 -3.6886 -2.9396 -2.9396 -2.9087 -2.9087 1.5865 1.5865 1.5979 1.5979 2.3979 2.3979 2.4361 2.4361 3.0745 3.0745 3.1415 3.1415 3.8219 3.8219 3.8267 3.8267 4.2532 4.2532 4.2670 4.2670 4.6733 4.6733 4.6820 4.6820 4.9836 4.9836 4.9925 4.9925 5.2201 5.2201 5.2250 5.2250 6.0693 6.0693 6.0952 6.0952 9.6689 9.6689 9.6952 9.6952 11.0486 11.0486 11.0977 11.0977 11.4003 11.4003 11.4336 11.4336 12.5637 12.5881 k = 0.5000 0.6934-0.0122 ( 6896 PWs) bands (ev): -19.0980 -19.0980 -19.0980 -19.0980 -12.4039 -12.4039 -12.4019 -12.4019 -10.9397 -10.9397 -10.9374 -10.9374 -10.7164 -10.7164 -10.7152 -10.7152 -5.7204 -5.7204 -5.7138 -5.7138 -3.8989 -3.8989 -3.8844 -3.8844 -3.7139 -3.7139 -3.6906 -3.6906 -2.9286 -2.9286 -2.8992 -2.8992 1.5849 1.5849 1.5950 1.5950 2.4065 2.4065 2.4423 2.4423 3.0756 3.0756 3.1380 3.1380 3.8222 3.8222 3.8269 3.8269 4.2515 4.2515 4.2645 4.2645 4.6775 4.6775 4.6865 4.6865 4.9846 4.9846 4.9928 4.9928 5.2176 5.2176 5.2224 5.2224 6.0696 6.0696 6.0931 6.0931 9.6875 9.6875 9.7127 9.7127 11.0451 11.0451 11.0887 11.0887 11.4016 11.4016 11.4301 11.4301 12.5651 12.5713 k = 0.5000 0.6882-0.0298 ( 6904 PWs) bands (ev): -19.0980 -19.0980 -19.0980 -19.0980 -12.4041 -12.4041 -12.4022 -12.4022 -10.9402 -10.9402 -10.9380 -10.9380 -10.7150 -10.7150 -10.7139 -10.7139 -5.7221 -5.7221 -5.7158 -5.7158 -3.9077 -3.9077 -3.8931 -3.8931 -3.7133 -3.7133 -3.6925 -3.6925 -2.9179 -2.9179 -2.8903 -2.8903 1.5833 1.5833 1.5921 1.5921 2.4151 2.4151 2.4482 2.4482 3.0768 3.0768 3.1343 3.1343 3.8226 3.8226 3.8271 3.8271 4.2498 4.2498 4.2618 4.2618 4.6815 4.6815 4.6906 4.6906 4.9855 4.9855 4.9928 4.9928 5.2153 5.2153 5.2199 5.2199 6.0695 6.0695 6.0908 6.0908 9.7061 9.7061 9.7297 9.7297 11.0411 11.0411 11.0791 11.0791 11.4044 11.4044 11.4284 11.4284 12.5691 12.5893 k = 0.5000 0.6830-0.0475 ( 6904 PWs) bands (ev): -19.0979 -19.0979 -19.0979 -19.0979 -12.4043 -12.4043 -12.4026 -12.4026 -10.9406 -10.9406 -10.9386 -10.9386 -10.7136 -10.7136 -10.7126 -10.7126 -5.7236 -5.7236 -5.7177 -5.7177 -3.9157 -3.9157 -3.9013 -3.9013 -3.7126 -3.7126 -3.6943 -3.6943 -2.9076 -2.9076 -2.8822 -2.8822 1.5817 1.5817 1.5893 1.5893 2.4234 2.4234 2.4537 2.4537 3.0781 3.0781 3.1303 3.1303 3.8231 3.8231 3.8272 3.8272 4.2480 4.2480 4.2590 4.2590 4.6854 4.6854 4.6943 4.6943 4.9863 4.9863 4.9928 4.9928 5.2133 5.2133 5.2177 5.2177 6.0694 6.0694 6.0883 6.0883 9.7242 9.7242 9.7461 9.7461 11.0366 11.0366 11.0693 11.0693 11.4085 11.4085 11.4284 11.4284 12.5712 12.5818 k = 0.5000 0.6778-0.0651 ( 6904 PWs) bands (ev): -19.0978 -19.0978 -19.0978 -19.0978 -12.4044 -12.4044 -12.4029 -12.4029 -10.9409 -10.9409 -10.9391 -10.9391 -10.7123 -10.7123 -10.7114 -10.7114 -5.7250 -5.7250 -5.7195 -5.7195 -3.9227 -3.9227 -3.9091 -3.9091 -3.7119 -3.7119 -3.6960 -3.6960 -2.8979 -2.8979 -2.8751 -2.8751 1.5802 1.5802 1.5867 1.5867 2.4315 2.4315 2.4587 2.4587 3.0795 3.0795 3.1262 3.1262 3.8236 3.8236 3.8274 3.8274 4.2464 4.2464 4.2562 4.2562 4.6890 4.6890 4.6975 4.6975 4.9871 4.9871 4.9928 4.9928 5.2115 5.2115 5.2156 5.2156 6.0691 6.0691 6.0858 6.0858 9.7415 9.7415 9.7614 9.7614 11.0319 11.0319 11.0596 11.0596 11.4134 11.4134 11.4296 11.4296 12.5714 12.5719 k = 0.5000 0.6726-0.0828 ( 6906 PWs) bands (ev): -19.0978 -19.0978 -19.0978 -19.0978 -12.4046 -12.4046 -12.4032 -12.4032 -10.9412 -10.9412 -10.9396 -10.9396 -10.7111 -10.7111 -10.7104 -10.7104 -5.7261 -5.7261 -5.7213 -5.7213 -3.9287 -3.9287 -3.9163 -3.9163 -3.7111 -3.7111 -3.6976 -3.6976 -2.8889 -2.8889 -2.8689 -2.8689 1.5789 1.5789 1.5843 1.5843 2.4391 2.4391 2.4630 2.4630 3.0811 3.0811 3.1219 3.1219 3.8241 3.8241 3.8275 3.8275 4.2449 4.2449 4.2535 4.2535 4.6924 4.6924 4.7003 4.7003 4.9878 4.9878 4.9927 4.9927 5.2101 5.2101 5.2137 5.2137 6.0689 6.0689 6.0832 6.0832 9.7576 9.7576 9.7753 9.7753 11.0274 11.0274 11.0503 11.0503 11.4187 11.4187 11.4317 11.4317 12.5729 12.5840 k = 0.5000 0.6674-0.1005 ( 6910 PWs) bands (ev): -19.0978 -19.0978 -19.0978 -19.0978 -12.4047 -12.4047 -12.4035 -12.4035 -10.9414 -10.9414 -10.9400 -10.9400 -10.7101 -10.7101 -10.7095 -10.7095 -5.7271 -5.7271 -5.7229 -5.7229 -3.9337 -3.9337 -3.9228 -3.9228 -3.7102 -3.7102 -3.6991 -3.6991 -2.8808 -2.8808 -2.8638 -2.8638 1.5777 1.5777 1.5821 1.5821 2.4462 2.4462 2.4665 2.4665 3.0830 3.0830 3.1175 3.1175 3.8247 3.8247 3.8276 3.8276 4.2437 4.2437 4.2509 4.2509 4.6954 4.6954 4.7024 4.7024 4.9885 4.9885 4.9925 4.9925 5.2089 5.2089 5.2120 5.2120 6.0687 6.0687 6.0807 6.0807 9.7722 9.7722 9.7874 9.7874 11.0233 11.0233 11.0418 11.0418 11.4241 11.4241 11.4342 11.4342 12.5741 12.5766 k = 0.5000 0.6622-0.1181 ( 6908 PWs) bands (ev): -19.0977 -19.0977 -19.0977 -19.0977 -12.4047 -12.4047 -12.4038 -12.4038 -10.9415 -10.9415 -10.9404 -10.9404 -10.7092 -10.7092 -10.7088 -10.7088 -5.7278 -5.7278 -5.7244 -5.7244 -3.9375 -3.9375 -3.9285 -3.9285 -3.7093 -3.7093 -3.7005 -3.7005 -2.8736 -2.8736 -2.8598 -2.8598 1.5768 1.5768 1.5802 1.5802 2.4526 2.4526 2.4692 2.4692 3.0852 3.0852 3.1132 3.1132 3.8252 3.8252 3.8276 3.8276 4.2427 4.2427 4.2485 4.2485 4.6981 4.6981 4.7040 4.7040 4.9892 4.9892 4.9923 4.9923 5.2080 5.2080 5.2106 5.2106 6.0687 6.0687 6.0783 6.0783 9.7850 9.7850 9.7974 9.7974 11.0198 11.0198 11.0342 11.0342 11.4292 11.4292 11.4368 11.4368 12.5718 12.5826 k = 0.5000 0.6570-0.1358 ( 6904 PWs) bands (ev): -19.0977 -19.0977 -19.0977 -19.0977 -12.4048 -12.4048 -12.4041 -12.4041 -10.9416 -10.9416 -10.9407 -10.9407 -10.7086 -10.7086 -10.7082 -10.7082 -5.7283 -5.7283 -5.7256 -5.7256 -3.9403 -3.9403 -3.9333 -3.9333 -3.7084 -3.7084 -3.7018 -3.7018 -2.8676 -2.8676 -2.8571 -2.8571 1.5761 1.5761 1.5786 1.5786 2.4582 2.4582 2.4708 2.4708 3.0877 3.0877 3.1089 3.1089 3.8257 3.8257 3.8275 3.8275 4.2420 4.2420 4.2464 4.2464 4.7005 4.7005 4.7051 4.7051 4.9898 4.9898 4.9921 4.9921 5.2074 5.2074 5.2094 5.2094 6.0689 6.0689 6.0761 6.0761 9.7956 9.7956 9.8051 9.8051 11.0172 11.0172 11.0278 11.0278 11.4337 11.4337 11.4391 11.4391 12.5722 12.5821 k = 0.5000 0.6518-0.1534 ( 6898 PWs) bands (ev): -19.0977 -19.0977 -19.0977 -19.0977 -12.4047 -12.4047 -12.4043 -12.4043 -10.9416 -10.9416 -10.9410 -10.9410 -10.7080 -10.7080 -10.7078 -10.7078 -5.7285 -5.7285 -5.7267 -5.7267 -3.9419 -3.9419 -3.9371 -3.9371 -3.7074 -3.7074 -3.7030 -3.7030 -2.8627 -2.8627 -2.8557 -2.8557 1.5757 1.5757 1.5773 1.5773 2.4629 2.4629 2.4714 2.4714 3.0905 3.0905 3.1048 3.1048 3.8262 3.8262 3.8274 3.8274 4.2417 4.2417 4.2447 4.2447 4.7024 4.7024 4.7056 4.7056 4.9903 4.9903 4.9919 4.9919 5.2071 5.2071 5.2084 5.2084 6.0694 6.0694 6.0742 6.0742 9.8039 9.8039 9.8103 9.8103 11.0157 11.0157 11.0226 11.0226 11.4373 11.4373 11.4408 11.4408 12.5722 12.5787 k = 0.5000 0.6466-0.1711 ( 6882 PWs) bands (ev): -19.0977 -19.0977 -19.0977 -19.0977 -12.4047 -12.4047 -12.4045 -12.4045 -10.9415 -10.9415 -10.9412 -10.9412 -10.7077 -10.7077 -10.7076 -10.7076 -5.7284 -5.7284 -5.7275 -5.7275 -3.9424 -3.9424 -3.9400 -3.9400 -3.7064 -3.7064 -3.7042 -3.7042 -2.8590 -2.8590 -2.8555 -2.8555 1.5756 1.5756 1.5764 1.5764 2.4666 2.4666 2.4709 2.4709 3.0936 3.0936 3.1008 3.1008 3.8266 3.8266 3.8272 3.8272 4.2419 4.2419 4.2433 4.2433 4.7039 4.7039 4.7055 4.7055 4.9908 4.9908 4.9916 4.9916 5.2070 5.2070 5.2077 5.2077 6.0701 6.0701 6.0725 6.0725 9.8096 9.8096 9.8128 9.8128 11.0154 11.0154 11.0188 11.0188 11.4399 11.4399 11.4416 11.4416 12.5717 12.5733 k = 0.5000 0.6414-0.1888 ( 6880 PWs) bands (ev): -19.0977 -19.0977 -19.0977 -19.0977 -12.4046 -12.4046 -12.4046 -12.4046 -10.9414 -10.9414 -10.9414 -10.9414 -10.7075 -10.7075 -10.7075 -10.7075 -5.7281 -5.7281 -5.7281 -5.7281 -3.9417 -3.9417 -3.9417 -3.9417 -3.7053 -3.7053 -3.7053 -3.7053 -2.8566 -2.8566 -2.8566 -2.8566 1.5758 1.5758 1.5758 1.5758 2.4693 2.4693 2.4693 2.4693 3.0971 3.0971 3.0971 3.0971 3.8270 3.8270 3.8270 3.8270 4.2424 4.2424 4.2424 4.2424 4.7050 4.7050 4.7050 4.7050 4.9912 4.9912 4.9912 4.9912 5.2072 5.2072 5.2072 5.2072 6.0712 6.0712 6.0712 6.0712 9.8126 9.8126 9.8126 9.8126 11.0164 11.0164 11.0164 11.0164 11.4413 11.4413 11.4413 11.4413 12.5733 12.5733 k = 0.5000 0.6414-0.1888 ( 6880 PWs) bands (ev): -19.0977 -19.0977 -19.0977 -19.0977 -12.4046 -12.4046 -12.4046 -12.4046 -10.9414 -10.9414 -10.9414 -10.9414 -10.7075 -10.7075 -10.7075 -10.7075 -5.7281 -5.7281 -5.7281 -5.7281 -3.9417 -3.9417 -3.9417 -3.9417 -3.7053 -3.7053 -3.7053 -3.7053 -2.8566 -2.8566 -2.8566 -2.8566 1.5758 1.5758 1.5758 1.5758 2.4693 2.4693 2.4693 2.4693 3.0971 3.0971 3.0971 3.0971 3.8270 3.8270 3.8270 3.8270 4.2424 4.2424 4.2424 4.2424 4.7050 4.7050 4.7050 4.7050 4.9912 4.9912 4.9912 4.9912 5.2072 5.2072 5.2072 5.2072 6.0712 6.0712 6.0712 6.0712 9.8126 9.8126 9.8126 9.8126 11.0164 11.0164 11.0164 11.0164 11.4413 11.4413 11.4413 11.4413 12.5733 12.5733 k = 0.4815 0.6414-0.1888 ( 6884 PWs) bands (ev): -19.0979 -19.0979 -19.0974 -19.0974 -12.4081 -12.4081 -12.4015 -12.4015 -10.9437 -10.9437 -10.9381 -10.9381 -10.7091 -10.7091 -10.7060 -10.7060 -5.7294 -5.7294 -5.7272 -5.7272 -3.9449 -3.9449 -3.9391 -3.9391 -3.7090 -3.7090 -3.7035 -3.7035 -2.8745 -2.8745 -2.8368 -2.8368 1.5648 1.5648 1.5881 1.5881 2.4588 2.4588 2.4795 2.4795 3.0829 3.0829 3.1084 3.1084 3.8232 3.8232 3.8334 3.8334 4.2323 4.2323 4.2523 4.2523 4.7018 4.7018 4.7092 4.7092 4.9825 4.9825 4.9998 4.9998 5.2053 5.2053 5.2101 5.2101 6.0613 6.0613 6.0802 6.0802 9.7700 9.7700 9.8536 9.8536 10.9530 10.9530 11.0809 11.0809 11.4329 11.4329 11.4500 11.4500 12.5696 12.5739 k = 0.4630 0.6414-0.1888 ( 6890 PWs) bands (ev): -19.0981 -19.0981 -19.0972 -19.0972 -12.4121 -12.4121 -12.3989 -12.3989 -10.9451 -10.9451 -10.9338 -10.9338 -10.7106 -10.7106 -10.7045 -10.7045 -5.7311 -5.7311 -5.7267 -5.7267 -3.9487 -3.9487 -3.9370 -3.9370 -3.7143 -3.7143 -3.7036 -3.7036 -2.8902 -2.8902 -2.8151 -2.8151 1.5549 1.5549 1.6014 1.6014 2.4480 2.4480 2.4891 2.4891 3.0664 3.0664 3.1165 3.1165 3.8223 3.8223 3.8421 3.8421 4.2224 4.2224 4.2618 4.2618 4.6998 4.6998 4.7144 4.7144 4.9740 4.9740 5.0078 5.0078 5.2042 5.2042 5.2142 5.2142 6.0507 6.0507 6.0883 6.0883 9.7261 9.7261 9.8928 9.8928 10.8917 10.8917 11.1451 11.1451 11.4248 11.4248 11.4596 11.4596 12.5659 12.5677 k = 0.4444 0.6414-0.1888 ( 6892 PWs) bands (ev): -19.0984 -19.0984 -19.0970 -19.0970 -12.4165 -12.4165 -12.3969 -12.3969 -10.9455 -10.9455 -10.9287 -10.9287 -10.7122 -10.7122 -10.7030 -10.7030 -5.7331 -5.7331 -5.7266 -5.7266 -3.9531 -3.9531 -3.9356 -3.9356 -3.7210 -3.7210 -3.7058 -3.7058 -2.9037 -2.9037 -2.7919 -2.7919 1.5465 1.5465 1.6156 1.6156 2.4371 2.4371 2.4982 2.4982 3.0480 3.0480 3.1209 3.1209 3.8246 3.8246 3.8525 3.8525 4.2129 4.2129 4.2707 4.2707 4.6988 4.6988 4.7208 4.7208 4.9661 4.9661 5.0149 5.0149 5.2037 5.2037 5.2197 5.2197 6.0394 6.0394 6.0956 6.0956 9.6811 9.6811 9.9301 9.9301 10.8330 10.8330 11.2057 11.2057 11.4176 11.4176 11.4720 11.4720 12.5661 12.5673 k = 0.4259 0.6414-0.1888 ( 6892 PWs) bands (ev): -19.0986 -19.0986 -19.0968 -19.0968 -12.4213 -12.4213 -12.3953 -12.3953 -10.9449 -10.9449 -10.9227 -10.9227 -10.7138 -10.7138 -10.7015 -10.7015 -5.7355 -5.7355 -5.7269 -5.7269 -3.9582 -3.9582 -3.9347 -3.9347 -3.7288 -3.7288 -3.7098 -3.7098 -2.9149 -2.9149 -2.7673 -2.7673 1.5394 1.5394 1.6307 1.6307 2.4262 2.4262 2.5065 2.5065 3.0283 3.0283 3.1216 3.1216 3.8299 3.8299 3.8643 3.8643 4.2041 4.2041 4.2787 4.2787 4.6989 4.6989 4.7282 4.7282 4.9591 4.9591 5.0207 5.0207 5.2036 5.2036 5.2267 5.2267 6.0274 6.0274 6.1020 6.1020 9.6355 9.6355 9.9653 9.9653 10.7770 10.7770 11.2569 11.2569 11.4127 11.4127 11.4908 11.4908 12.5679 12.5690 k = 0.4074 0.6414-0.1888 ( 6886 PWs) bands (ev): -19.0989 -19.0989 -19.0966 -19.0966 -12.4264 -12.4264 -12.3942 -12.3942 -10.9434 -10.9434 -10.9160 -10.9160 -10.7155 -10.7155 -10.7001 -10.7001 -5.7382 -5.7382 -5.7276 -5.7276 -3.9639 -3.9639 -3.9345 -3.9345 -3.7375 -3.7375 -3.7157 -3.7157 -2.9241 -2.9241 -2.7415 -2.7415 1.5338 1.5338 1.6465 1.6465 2.4154 2.4154 2.5140 2.5140 3.0078 3.0078 3.1186 3.1186 3.8379 3.8379 3.8770 3.8770 4.1965 4.1965 4.2857 4.2857 4.7001 4.7001 4.7368 4.7368 4.9533 4.9533 5.0250 5.0250 5.2038 5.2038 5.2353 5.2353 6.0147 6.0147 6.1076 6.1076 9.5895 9.5895 9.9984 9.9984 10.7239 10.7239 11.2904 11.2904 11.4123 11.4123 11.5220 11.5220 12.5745 12.5770 k = 0.3889 0.6414-0.1888 ( 6890 PWs) bands (ev): -19.0991 -19.0991 -19.0964 -19.0964 -12.4318 -12.4318 -12.3935 -12.3935 -10.9409 -10.9409 -10.9086 -10.9086 -10.7171 -10.7171 -10.6986 -10.6986 -5.7412 -5.7412 -5.7288 -5.7288 -3.9703 -3.9703 -3.9350 -3.9350 -3.7468 -3.7468 -3.7231 -3.7231 -2.9312 -2.9312 -2.7150 -2.7150 1.5296 1.5296 1.6629 1.6629 2.4048 2.4048 2.5205 2.5205 2.9868 2.9868 3.1121 3.1121 3.8481 3.8481 3.8901 3.8901 4.1904 4.1904 4.2915 4.2915 4.7023 4.7023 4.7464 4.7464 4.9487 4.9487 5.0277 5.0277 5.2042 5.2042 5.2456 5.2456 6.0015 6.0015 6.1122 6.1122 9.5435 9.5435 10.0293 10.0293 10.6736 10.6736 11.3025 11.3025 11.4156 11.4156 11.5690 11.5690 12.5817 12.5836 k = 0.3704 0.6414-0.1888 ( 6894 PWs) bands (ev): -19.0994 -19.0994 -19.0962 -19.0962 -12.4375 -12.4375 -12.3933 -12.3933 -10.9376 -10.9376 -10.9005 -10.9005 -10.7188 -10.7188 -10.6973 -10.6973 -5.7444 -5.7444 -5.7303 -5.7303 -3.9774 -3.9774 -3.9361 -3.9361 -3.7564 -3.7564 -3.7318 -3.7318 -2.9364 -2.9364 -2.6878 -2.6878 1.5269 1.5269 1.6796 1.6796 2.3945 2.3945 2.5260 2.5260 2.9656 2.9656 3.1023 3.1023 3.8597 3.8597 3.9035 3.9035 4.1865 4.1865 4.2960 4.2960 4.7055 4.7055 4.7571 4.7571 4.9457 4.9457 5.0288 5.0288 5.2046 5.2046 5.2574 5.2574 5.9878 5.9878 6.1160 6.1160 9.4980 9.4980 10.0579 10.0579 10.6260 10.6260 11.2994 11.2994 11.4194 11.4194 11.6286 11.6286 12.5878 12.5886 k = 0.3519 0.6414-0.1888 ( 6890 PWs) bands (ev): -19.0997 -19.0997 -19.0960 -19.0960 -12.4433 -12.4433 -12.3936 -12.3936 -10.9335 -10.9335 -10.8919 -10.8919 -10.7206 -10.7206 -10.6959 -10.6959 -5.7479 -5.7479 -5.7321 -5.7321 -3.9852 -3.9852 -3.9380 -3.9380 -3.7662 -3.7662 -3.7414 -3.7414 -2.9400 -2.9400 -2.6604 -2.6604 1.5258 1.5258 1.6966 1.6966 2.3846 2.3846 2.5304 2.5304 2.9447 2.9447 3.0898 3.0898 3.8717 3.8717 3.9168 3.9168 4.1852 4.1852 4.2992 4.2992 4.7098 4.7098 4.7689 4.7689 4.9443 4.9443 5.0284 5.0284 5.2050 5.2050 5.2704 5.2704 5.9736 5.9736 6.1190 6.1190 9.4533 9.4533 10.0844 10.0844 10.5812 10.5812 11.2882 11.2882 11.4216 11.4216 11.6949 11.6949 12.5837 12.5840 k = 0.3333 0.6414-0.1888 ( 6892 PWs) bands (ev): -19.0999 -19.0999 -19.0958 -19.0958 -12.4493 -12.4493 -12.3942 -12.3942 -10.9286 -10.9286 -10.8829 -10.8829 -10.7224 -10.7224 -10.6946 -10.6946 -5.7515 -5.7515 -5.7343 -5.7343 -3.9938 -3.9938 -3.9407 -3.9407 -3.7759 -3.7759 -3.7514 -3.7514 -2.9421 -2.9421 -2.6328 -2.6328 1.5261 1.5261 1.7137 1.7137 2.3750 2.3750 2.5336 2.5336 2.9241 2.9241 3.0750 3.0750 3.8833 3.8833 3.9298 3.9298 4.1872 4.1872 4.3009 4.3009 4.7150 4.7150 4.7818 4.7818 4.9444 4.9444 5.0267 5.0267 5.2053 5.2053 5.2845 5.2845 5.9591 5.9591 6.1211 6.1211 9.4097 9.4097 10.1085 10.1085 10.5389 10.5389 11.2728 11.2728 11.4223 11.4223 11.7634 11.7634 12.5746 12.5747 k = 0.3148 0.6414-0.1888 ( 6898 PWs) bands (ev): -19.1001 -19.1001 -19.0957 -19.0957 -12.4553 -12.4553 -12.3951 -12.3951 -10.9230 -10.9230 -10.8735 -10.8735 -10.7243 -10.7243 -10.6934 -10.6934 -5.7554 -5.7554 -5.7368 -5.7368 -4.0031 -4.0031 -3.9442 -3.9442 -3.7855 -3.7855 -3.7615 -3.7615 -2.9430 -2.9430 -2.6054 -2.6054 1.5279 1.5279 1.7308 1.7308 2.3660 2.3660 2.5355 2.5355 2.9042 2.9042 3.0585 3.0585 3.8933 3.8933 3.9423 3.9423 4.1927 4.1927 4.3013 4.3013 4.7212 4.7212 4.7956 4.7956 4.9460 4.9460 5.0237 5.0237 5.2053 5.2053 5.2994 5.2994 5.9443 5.9443 6.1224 6.1224 9.3675 9.3675 10.1303 10.1303 10.4993 10.4993 11.2553 11.2553 11.4216 11.4216 11.8313 11.8313 12.5625 12.5625 k = 0.2963 0.6414-0.1888 ( 6894 PWs) bands (ev): -19.1004 -19.1004 -19.0955 -19.0955 -12.4613 -12.4613 -12.3964 -12.3964 -10.9167 -10.9167 -10.8639 -10.8639 -10.7262 -10.7262 -10.6922 -10.6922 -5.7593 -5.7593 -5.7396 -5.7396 -4.0131 -4.0131 -3.9485 -3.9485 -3.7950 -3.7950 -3.7711 -3.7711 -2.9430 -2.9430 -2.5784 -2.5784 1.5310 1.5310 1.7477 1.7477 2.3574 2.3574 2.5361 2.5361 2.8851 2.8851 3.0408 3.0408 3.9013 3.9013 3.9543 3.9543 4.2021 4.2021 4.3004 4.3004 4.7282 4.7282 4.8104 4.8104 4.9490 4.9490 5.0198 5.0198 5.2051 5.2051 5.3148 5.3148 5.9294 5.9294 6.1230 6.1230 9.3271 9.3271 10.1496 10.1496 10.4623 10.4623 11.2365 11.2365 11.4199 11.4199 11.8968 11.8968 12.5482 12.5482 k = 0.2778 0.6414-0.1888 ( 6898 PWs) bands (ev): -19.1006 -19.1006 -19.0954 -19.0954 -12.4673 -12.4673 -12.3979 -12.3979 -10.9100 -10.9100 -10.8541 -10.8541 -10.7283 -10.7283 -10.6912 -10.6912 -5.7633 -5.7633 -5.7426 -5.7426 -4.0235 -4.0235 -3.9537 -3.9537 -3.8042 -3.8042 -3.7800 -3.7800 -2.9421 -2.9421 -2.5520 -2.5520 1.5355 1.5355 1.7644 1.7644 2.3492 2.3492 2.5354 2.5354 2.8668 2.8668 3.0223 3.0223 3.9069 3.9069 3.9655 3.9655 4.2152 4.2152 4.2983 4.2983 4.7360 4.7360 4.8260 4.8260 4.9531 4.9531 5.0151 5.0151 5.2046 5.2046 5.3304 5.3304 5.9143 5.9143 6.1229 6.1229 9.2887 9.2887 10.1662 10.1662 10.4281 10.4281 11.2171 11.2171 11.4175 11.4175 11.9585 11.9585 12.5324 12.5324 k = 0.2593 0.6414-0.1888 ( 6898 PWs) bands (ev): -19.1008 -19.1008 -19.0953 -19.0953 -12.4732 -12.4732 -12.3996 -12.3996 -10.9028 -10.9028 -10.8443 -10.8443 -10.7304 -10.7304 -10.6902 -10.6902 -5.7673 -5.7673 -5.7458 -5.7458 -4.0343 -4.0343 -3.9597 -3.9597 -3.8131 -3.8131 -3.7879 -3.7879 -2.9407 -2.9407 -2.5263 -2.5263 1.5412 1.5412 1.7806 1.7806 2.3414 2.3414 2.5335 2.5335 2.8495 2.8495 3.0036 3.0036 3.9102 3.9102 3.9759 3.9759 4.2315 4.2315 4.2953 4.2953 4.7446 4.7446 4.8423 4.8423 4.9582 4.9582 5.0100 5.0100 5.2037 5.2037 5.3461 5.3461 5.8993 5.8993 6.1221 6.1221 9.2524 9.2524 10.1798 10.1798 10.3971 10.3971 11.1977 11.1977 11.4145 11.4145 12.0155 12.0155 12.5158 12.5158 k = 0.2407 0.6414-0.1888 ( 6894 PWs) bands (ev): -19.1010 -19.1010 -19.0951 -19.0951 -12.4790 -12.4790 -12.4015 -12.4015 -10.8952 -10.8952 -10.8346 -10.8346 -10.7326 -10.7326 -10.6894 -10.6894 -5.7713 -5.7713 -5.7491 -5.7491 -4.0453 -4.0453 -3.9665 -3.9665 -3.8213 -3.8213 -3.7949 -3.7949 -2.9388 -2.9388 -2.5017 -2.5017 1.5480 1.5480 1.7964 1.7964 2.3338 2.3338 2.5305 2.5305 2.8333 2.8333 2.9850 2.9850 3.9114 3.9114 3.9855 3.9855 4.2500 4.2500 4.2919 4.2919 4.7538 4.7538 4.8591 4.8591 4.9636 4.9636 5.0049 5.0049 5.2024 5.2024 5.3616 5.3616 5.8844 5.8844 6.1208 6.1208 9.2185 9.2185 10.1896 10.1896 10.3699 10.3699 11.1785 11.1785 11.4110 11.4110 12.0671 12.0671 12.4990 12.4990 k = 0.2222 0.6414-0.1888 ( 6884 PWs) bands (ev): -19.1012 -19.1012 -19.0950 -19.0950 -12.4845 -12.4845 -12.4034 -12.4034 -10.8874 -10.8874 -10.8251 -10.8251 -10.7350 -10.7350 -10.6887 -10.6887 -5.7752 -5.7752 -5.7525 -5.7525 -4.0562 -4.0562 -3.9740 -3.9740 -3.8287 -3.8287 -3.8011 -3.8011 -2.9367 -2.9367 -2.4781 -2.4781 1.5557 1.5557 1.8117 1.8117 2.3263 2.3263 2.5264 2.5264 2.8181 2.8181 2.9670 2.9670 3.9110 3.9110 3.9941 3.9941 4.2680 4.2680 4.2901 4.2901 4.7635 4.7635 4.8760 4.8760 4.9683 4.9683 5.0009 5.0009 5.2007 5.2007 5.3767 5.3767 5.8698 5.8698 6.1191 6.1191 9.1871 9.1871 10.1949 10.1949 10.3475 10.3475 11.1600 11.1600 11.4072 11.4072 12.1131 12.1131 12.4824 12.4824 k = 0.2037 0.6414-0.1888 ( 6882 PWs) bands (ev): -19.1014 -19.1014 -19.0949 -19.0949 -12.4898 -12.4898 -12.4054 -12.4054 -10.8794 -10.8794 -10.8159 -10.8159 -10.7374 -10.7374 -10.6881 -10.6881 -5.7790 -5.7790 -5.7560 -5.7560 -4.0671 -4.0671 -3.9821 -3.9821 -3.8352 -3.8352 -3.8065 -3.8065 -2.9344 -2.9344 -2.4559 -2.4559 1.5641 1.5641 1.8264 1.8264 2.3187 2.3187 2.5216 2.5216 2.8041 2.8041 2.9500 2.9500 3.9094 3.9094 4.0020 4.0020 4.2746 4.2746 4.3004 4.3004 4.7736 4.7736 4.8929 4.8929 4.9704 4.9704 5.0000 5.0000 5.1984 5.1984 5.3912 5.3912 5.8555 5.8555 6.1169 6.1169 9.1581 9.1581 10.1946 10.1946 10.3309 10.3309 11.1424 11.1424 11.4032 11.4032 12.1531 12.1531 12.4665 12.4665 k = 0.1852 0.6414-0.1888 ( 6886 PWs) bands (ev): -19.1016 -19.1016 -19.0948 -19.0948 -12.4947 -12.4947 -12.4074 -12.4074 -10.8713 -10.8713 -10.8071 -10.8071 -10.7399 -10.7399 -10.6876 -10.6876 -5.7827 -5.7827 -5.7594 -5.7594 -4.0775 -4.0775 -3.9905 -3.9905 -3.8406 -3.8406 -3.8113 -3.8113 -2.9321 -2.9321 -2.4351 -2.4351 1.5731 1.5731 1.8406 1.8406 2.3108 2.3108 2.5162 2.5162 2.7912 2.7912 2.9341 2.9341 3.9070 3.9070 4.0090 4.0090 4.2710 4.2710 4.3210 4.3210 4.7840 4.7840 4.9093 4.9093 4.9684 4.9684 5.0036 5.0036 5.1956 5.1956 5.4051 5.4051 5.8417 5.8417 6.1145 6.1145 9.1318 9.1318 10.1885 10.1885 10.3206 10.3206 11.1258 11.1258 11.3990 11.3990 12.1873 12.1873 12.4518 12.4518 k = 0.1667 0.6414-0.1888 ( 6884 PWs) bands (ev): -19.1018 -19.1018 -19.0947 -19.0947 -12.4994 -12.4994 -12.4094 -12.4094 -10.8631 -10.8631 -10.7990 -10.7990 -10.7423 -10.7423 -10.6874 -10.6874 -5.7861 -5.7861 -5.7627 -5.7627 -4.0875 -4.0875 -3.9989 -3.9989 -3.8451 -3.8451 -3.8155 -3.8155 -2.9298 -2.9298 -2.4159 -2.4159 1.5824 1.5824 1.8543 1.8543 2.3023 2.3023 2.5107 2.5107 2.7794 2.7794 2.9196 2.9196 3.9041 3.9041 4.0152 4.0152 4.2656 4.2656 4.3430 4.3430 4.7945 4.7945 4.9244 4.9244 4.9639 4.9639 5.0107 5.0107 5.1922 5.1922 5.4180 5.4180 5.8286 5.8286 6.1118 6.1118 9.1082 9.1082 10.1775 10.1775 10.3157 10.3157 11.1106 11.1106 11.3949 11.3949 12.2159 12.2159 12.4384 12.4384 k = 0.1481 0.6414-0.1888 ( 6878 PWs) bands (ev): -19.1019 -19.1019 -19.0947 -19.0947 -12.5036 -12.5036 -12.4113 -12.4113 -10.8550 -10.8550 -10.7916 -10.7916 -10.7447 -10.7447 -10.6873 -10.6873 -5.7894 -5.7894 -5.7658 -5.7658 -4.0968 -4.0968 -4.0073 -4.0073 -3.8486 -3.8486 -3.8193 -3.8193 -2.9276 -2.9276 -2.3983 -2.3983 1.5917 1.5917 1.8674 1.8674 2.2933 2.2933 2.5052 2.5052 2.7689 2.7689 2.9067 2.9067 3.9010 3.9010 4.0207 4.0207 4.2598 4.2598 4.3647 4.3647 4.8049 4.8049 4.9361 4.9361 4.9603 4.9603 5.0198 5.0198 5.1882 5.1882 5.4300 5.4300 5.8163 5.8163 6.1091 6.1091 9.0871 9.0871 10.1638 10.1638 10.3144 10.3144 11.0968 11.0968 11.3909 11.3909 12.2390 12.2390 12.4268 12.4268 k = 0.1296 0.6414-0.1888 ( 6878 PWs) bands (ev): -19.1021 -19.1021 -19.0946 -19.0946 -12.5075 -12.5075 -12.4130 -12.4130 -10.8471 -10.8471 -10.7854 -10.7854 -10.7468 -10.7468 -10.6873 -10.6873 -5.7923 -5.7923 -5.7688 -5.7688 -4.1053 -4.1053 -4.0152 -4.0152 -3.8513 -3.8513 -3.8228 -3.8228 -2.9256 -2.9256 -2.3826 -2.3826 1.6008 1.6008 1.8799 1.8799 2.2836 2.2836 2.5000 2.5000 2.7595 2.7595 2.8954 2.8954 3.8979 3.8979 4.0255 4.0255 4.2540 4.2540 4.3853 4.3853 4.8151 4.8151 4.9388 4.9388 4.9637 4.9637 5.0301 5.0301 5.1835 5.1835 5.4409 5.4409 5.8049 5.8049 6.1064 6.1064 9.0687 9.0687 10.1490 10.1490 10.3151 10.3151 11.0845 11.0845 11.3870 11.3870 12.2572 12.2572 12.4169 12.4169 k = 0.1111 0.6414-0.1888 ( 6876 PWs) bands (ev): -19.1022 -19.1022 -19.0946 -19.0946 -12.5108 -12.5108 -12.4146 -12.4146 -10.8394 -10.8394 -10.7807 -10.7807 -10.7483 -10.7483 -10.6875 -10.6875 -5.7949 -5.7949 -5.7715 -5.7715 -4.1129 -4.1129 -4.0225 -4.0225 -3.8532 -3.8532 -3.8258 -3.8258 -2.9238 -2.9238 -2.3688 -2.3688 1.6094 1.6094 1.8918 1.8918 2.2734 2.2734 2.4955 2.4955 2.7513 2.7513 2.8857 2.8857 3.8950 3.8950 4.0297 4.0297 4.2486 4.2486 4.4042 4.4042 4.8250 4.8250 4.9338 4.9338 4.9728 4.9728 5.0411 5.0411 5.1782 5.1782 5.4506 5.4506 5.7946 5.7946 6.1038 6.1038 9.0529 9.0529 10.1347 10.1347 10.3166 10.3166 11.0739 11.0739 11.3835 11.3835 12.2708 12.2708 12.4090 12.4090 k = 0.0926 0.6414-0.1888 ( 6874 PWs) bands (ev): -19.1023 -19.1023 -19.0945 -19.0945 -12.5138 -12.5138 -12.4160 -12.4160 -10.8320 -10.8320 -10.7779 -10.7779 -10.7487 -10.7487 -10.6878 -10.6878 -5.7972 -5.7972 -5.7739 -5.7739 -4.1194 -4.1194 -4.0289 -4.0289 -3.8546 -3.8546 -3.8285 -3.8285 -2.9222 -2.9222 -2.3569 -2.3569 1.6172 1.6172 1.9029 1.9029 2.2631 2.2631 2.4917 2.4917 2.7443 2.7443 2.8776 2.8776 3.8923 3.8923 4.0332 4.0332 4.2436 4.2436 4.4211 4.4211 4.8344 4.8344 4.9268 4.9268 4.9822 4.9822 5.0527 5.0527 5.1723 5.1723 5.4590 5.4590 5.7856 5.7856 6.1013 6.1013 9.0396 9.0396 10.1215 10.1215 10.3184 10.3184 11.0649 11.0649 11.3803 11.3803 12.2805 12.2805 12.4030 12.4030 k = 0.0741 0.6414-0.1888 ( 6868 PWs) bands (ev): -19.1024 -19.1024 -19.0945 -19.0945 -12.5162 -12.5162 -12.4172 -12.4172 -10.8251 -10.8251 -10.7773 -10.7773 -10.7480 -10.7480 -10.6882 -10.6882 -5.7991 -5.7991 -5.7759 -5.7759 -4.1249 -4.1249 -4.0345 -4.0345 -3.8554 -3.8554 -3.8307 -3.8307 -2.9209 -2.9209 -2.3471 -2.3471 1.6240 1.6240 1.9129 1.9129 2.2531 2.2531 2.4886 2.4886 2.7385 2.7385 2.8711 2.8711 3.8900 3.8900 4.0361 4.0361 4.2393 4.2393 4.4355 4.4355 4.8432 4.8432 4.9193 4.9193 4.9902 4.9902 5.0644 5.0644 5.1659 5.1659 5.4659 5.4659 5.7779 5.7779 6.0992 6.0992 9.0288 9.0288 10.1102 10.1102 10.3200 10.3200 11.0575 11.0575 11.3775 11.3775 12.2871 12.2871 12.3988 12.3988 k = 0.0556 0.6414-0.1888 ( 6870 PWs) bands (ev): -19.1024 -19.1024 -19.0944 -19.0944 -12.5181 -12.5181 -12.4181 -12.4181 -10.8188 -10.8188 -10.7785 -10.7785 -10.7466 -10.7466 -10.6886 -10.6886 -5.8006 -5.8006 -5.7775 -5.7775 -4.1292 -4.1292 -4.0389 -4.0389 -3.8559 -3.8559 -3.8326 -3.8326 -2.9199 -2.9199 -2.3395 -2.3395 1.6295 1.6295 1.9214 1.9214 2.2442 2.2442 2.4864 2.4864 2.7341 2.7341 2.8662 2.8662 3.8882 3.8882 4.0383 4.0383 4.2358 4.2358 4.4470 4.4470 4.8513 4.8513 4.9121 4.9121 4.9965 4.9965 5.0756 5.0756 5.1591 5.1591 5.4714 5.4714 5.7718 5.7718 6.0975 6.0975 9.0204 9.0204 10.1011 10.1011 10.3214 10.3214 11.0518 11.0518 11.3754 11.3754 12.2912 12.2912 12.3959 12.3959 k = 0.0370 0.6414-0.1888 ( 6870 PWs) bands (ev): -19.1025 -19.1025 -19.0944 -19.0944 -12.5194 -12.5194 -12.4188 -12.4188 -10.8134 -10.8134 -10.7806 -10.7806 -10.7451 -10.7451 -10.6889 -10.6889 -5.8017 -5.8017 -5.7786 -5.7786 -4.1323 -4.1323 -4.0421 -4.0421 -3.8562 -3.8562 -3.8340 -3.8340 -2.9191 -2.9191 -2.3339 -2.3339 1.6335 1.6335 1.9280 1.9280 2.2371 2.2371 2.4848 2.4848 2.7308 2.7308 2.8627 2.8627 3.8869 3.8869 4.0399 4.0399 4.2332 4.2332 4.4555 4.4555 4.8583 4.8583 4.9056 4.9056 5.0009 5.0009 5.0856 5.0856 5.1525 5.1525 5.4753 5.4753 5.7674 5.7674 6.0962 6.0962 9.0145 9.0145 10.0944 10.0944 10.3224 10.3224 11.0477 11.0477 11.3737 11.3737 12.2936 12.2936 12.3941 12.3941 k = 0.0185 0.6414-0.1888 ( 6868 PWs) bands (ev): -19.1025 -19.1025 -19.0944 -19.0944 -12.5203 -12.5203 -12.4192 -12.4192 -10.8095 -10.8095 -10.7827 -10.7827 -10.7440 -10.7440 -10.6892 -10.6892 -5.8023 -5.8023 -5.7794 -5.7794 -4.1342 -4.1342 -4.0441 -4.0441 -3.8563 -3.8563 -3.8349 -3.8349 -2.9187 -2.9187 -2.3306 -2.3306 1.6360 1.6360 1.9322 1.9322 2.2325 2.2325 2.4839 2.4839 2.7289 2.7289 2.8606 2.8606 3.8860 3.8860 4.0409 4.0409 4.2317 4.2317 4.4607 4.4607 4.8634 4.8634 4.9007 4.9007 5.0036 5.0036 5.0930 5.0930 5.1472 5.1472 5.4777 5.4777 5.7647 5.7647 6.0954 6.0954 9.0110 9.0110 10.0903 10.0903 10.3230 10.3230 11.0453 11.0453 11.3728 11.3728 12.2948 12.2948 12.3932 12.3932 k = 0.0000 0.6414-0.1888 ( 6870 PWs) bands (ev): -19.1025 -19.1025 -19.0944 -19.0944 -12.5205 -12.5205 -12.4194 -12.4194 -10.8080 -10.8080 -10.7836 -10.7836 -10.7436 -10.7436 -10.6892 -10.6892 -5.8025 -5.8025 -5.7796 -5.7796 -4.1349 -4.1349 -4.0447 -4.0447 -3.8563 -3.8563 -3.8352 -3.8352 -2.9185 -2.9185 -2.3295 -2.3295 1.6368 1.6368 1.9337 1.9337 2.2309 2.2309 2.4836 2.4836 2.7283 2.7283 2.8599 2.8599 3.8858 3.8858 4.0413 4.0413 4.2311 4.2311 4.4625 4.4625 4.8654 4.8654 4.8988 4.8988 5.0045 5.0045 5.0959 5.0959 5.1451 5.1451 5.4785 5.4785 5.7638 5.7638 6.0952 6.0952 9.0098 9.0098 10.0890 10.0890 10.3232 10.3232 11.0445 11.0445 11.3724 11.3724 12.2951 12.2951 12.3929 12.3929 k = 0.0000 0.6414-0.1888 ( 6870 PWs) bands (ev): -19.1025 -19.1025 -19.0944 -19.0944 -12.5205 -12.5205 -12.4194 -12.4194 -10.8080 -10.8080 -10.7836 -10.7836 -10.7436 -10.7436 -10.6892 -10.6892 -5.8025 -5.8025 -5.7796 -5.7796 -4.1349 -4.1349 -4.0447 -4.0447 -3.8563 -3.8563 -3.8352 -3.8352 -2.9185 -2.9185 -2.3295 -2.3295 1.6368 1.6368 1.9337 1.9337 2.2309 2.2309 2.4836 2.4836 2.7283 2.7283 2.8599 2.8599 3.8858 3.8858 4.0413 4.0413 4.2311 4.2311 4.4625 4.4625 4.8654 4.8654 4.8988 4.8988 5.0045 5.0045 5.0959 5.0959 5.1451 5.1451 5.4785 5.4785 5.7638 5.7638 6.0952 6.0952 9.0098 9.0098 10.0890 10.0890 10.3232 10.3232 11.0445 11.0445 11.3724 11.3724 12.2951 12.2951 12.3929 12.3929 k = 0.0000 0.6466-0.1711 ( 6866 PWs) bands (ev): -19.1025 -19.1025 -19.0944 -19.0944 -12.5205 -12.5205 -12.4193 -12.4193 -10.8081 -10.8081 -10.7835 -10.7835 -10.7437 -10.7437 -10.6893 -10.6893 -5.8024 -5.8024 -5.7795 -5.7795 -4.1346 -4.1346 -4.0443 -4.0443 -3.8561 -3.8561 -3.8350 -3.8350 -2.9192 -2.9192 -2.3300 -2.3300 1.6370 1.6370 1.9334 1.9334 2.2311 2.2311 2.4838 2.4838 2.7281 2.7281 2.8600 2.8600 3.8860 3.8860 4.0414 4.0414 4.2299 4.2299 4.4629 4.4629 4.8658 4.8658 4.8988 4.8988 5.0041 5.0041 5.0956 5.0956 5.1448 5.1448 5.4783 5.4783 5.7646 5.7646 6.0944 6.0944 9.0102 9.0102 10.0893 10.0893 10.3231 10.3231 11.0452 11.0452 11.3718 11.3718 12.2913 12.2913 12.3911 12.3911 k = 0.0000 0.6518-0.1534 ( 6863 PWs) bands (ev): -19.1025 -19.1025 -19.0945 -19.0945 -12.5205 -12.5205 -12.4191 -12.4191 -10.8084 -10.8084 -10.7833 -10.7833 -10.7440 -10.7440 -10.6894 -10.6894 -5.8021 -5.8021 -5.7792 -5.7792 -4.1339 -4.1339 -4.0430 -4.0430 -3.8554 -3.8554 -3.8346 -3.8346 -2.9211 -2.9211 -2.3316 -2.3316 1.6374 1.6374 1.9328 1.9328 2.2316 2.2316 2.4842 2.4842 2.7277 2.7277 2.8603 2.8603 3.8868 3.8868 4.0416 4.0416 4.2263 4.2263 4.4642 4.4642 4.8668 4.8668 4.8986 4.8986 5.0031 5.0031 5.0947 5.0947 5.1438 5.1438 5.4777 5.4777 5.7671 5.7671 6.0923 6.0923 9.0114 9.0114 10.0901 10.0901 10.3228 10.3228 11.0473 11.0473 11.3699 11.3699 12.2797 12.2797 12.3865 12.3865 k = 0.0000 0.6570-0.1358 ( 6854 PWs) bands (ev): -19.1024 -19.1024 -19.0946 -19.0946 -12.5205 -12.5205 -12.4188 -12.4188 -10.8088 -10.8088 -10.7829 -10.7829 -10.7445 -10.7445 -10.6895 -10.6895 -5.8015 -5.8015 -5.7788 -5.7788 -4.1326 -4.1326 -4.0409 -4.0409 -3.8543 -3.8543 -3.8338 -3.8338 -2.9242 -2.9242 -2.3342 -2.3342 1.6381 1.6381 1.9317 1.9317 2.2325 2.2325 2.4850 2.4850 2.7270 2.7270 2.8608 2.8608 3.8881 3.8881 4.0421 4.0421 4.2203 4.2203 4.4664 4.4664 4.8685 4.8685 4.8983 4.8983 5.0013 5.0013 5.0931 5.0931 5.1422 5.1422 5.4766 5.4766 5.7712 5.7712 6.0888 6.0888 9.0134 9.0134 10.0915 10.0915 10.3225 10.3225 11.0508 11.0508 11.3669 11.3669 12.2600 12.2600 12.3803 12.3803 k = 0.0000 0.6622-0.1181 ( 6858 PWs) bands (ev): -19.1023 -19.1023 -19.0947 -19.0947 -12.5205 -12.5205 -12.4184 -12.4184 -10.8095 -10.8095 -10.7825 -10.7825 -10.7452 -10.7452 -10.6898 -10.6898 -5.8008 -5.8008 -5.7782 -5.7782 -4.1309 -4.1309 -4.0380 -4.0380 -3.8526 -3.8526 -3.8327 -3.8327 -2.9286 -2.9286 -2.3378 -2.3378 1.6391 1.6391 1.9303 1.9303 2.2335 2.2335 2.4862 2.4862 2.7261 2.7261 2.8616 2.8616 3.8898 3.8898 4.0428 4.0428 4.2120 4.2120 4.4694 4.4694 4.8709 4.8709 4.8979 4.8979 4.9988 4.9988 5.0912 5.0912 5.1400 5.1400 5.4751 5.4751 5.7767 5.7767 6.0841 6.0841 9.0161 9.0161 10.0935 10.0935 10.3222 10.3222 11.0556 11.0556 11.3626 11.3626 12.2323 12.2323 12.3741 12.3741 k = 0.0000 0.6674-0.1005 ( 6855 PWs) bands (ev): -19.1022 -19.1022 -19.0949 -19.0949 -12.5204 -12.5204 -12.4179 -12.4179 -10.8102 -10.8102 -10.7819 -10.7819 -10.7461 -10.7461 -10.6900 -10.6900 -5.7998 -5.7998 -5.7775 -5.7775 -4.1286 -4.1286 -4.0346 -4.0346 -3.8504 -3.8504 -3.8314 -3.8314 -2.9341 -2.9341 -2.3423 -2.3423 1.6401 1.6401 1.9286 1.9286 2.2345 2.2345 2.4877 2.4877 2.7249 2.7249 2.8627 2.8627 3.8919 3.8919 4.0436 4.0436 4.2017 4.2017 4.4733 4.4733 4.8738 4.8738 4.8973 4.8973 4.9956 4.9956 5.0889 5.0889 5.1371 5.1371 5.4731 5.4731 5.7832 5.7832 6.0783 6.0783 9.0194 9.0194 10.0959 10.0959 10.3219 10.3219 11.0616 11.0616 11.3574 11.3574 12.1979 12.1979 12.3685 12.3685 k = 0.0000 0.6726-0.0828 ( 6857 PWs) bands (ev): -19.1021 -19.1021 -19.0951 -19.0951 -12.5204 -12.5204 -12.4172 -12.4172 -10.8112 -10.8112 -10.7812 -10.7812 -10.7471 -10.7471 -10.6904 -10.6904 -5.7986 -5.7986 -5.7766 -5.7766 -4.1259 -4.1259 -4.0305 -4.0305 -3.8476 -3.8476 -3.8297 -3.8297 -2.9407 -2.9407 -2.3477 -2.3477 1.6413 1.6413 1.9268 1.9268 2.2355 2.2355 2.4895 2.4895 2.7237 2.7237 2.8642 2.8642 3.8943 3.8943 4.0446 4.0446 4.1894 4.1894 4.4779 4.4779 4.8773 4.8773 4.8964 4.8964 4.9918 4.9918 5.0864 5.0864 5.1336 5.1336 5.4707 5.4707 5.7907 5.7907 6.0717 6.0717 9.0233 9.0233 10.0987 10.0987 10.3219 10.3219 11.0686 11.0686 11.3512 11.3512 12.1583 12.1583 12.3637 12.3637 k = 0.0000 0.6778-0.0651 ( 6865 PWs) bands (ev): -19.1019 -19.1019 -19.0954 -19.0954 -12.5203 -12.5203 -12.4165 -12.4165 -10.8122 -10.8122 -10.7805 -10.7805 -10.7483 -10.7483 -10.6908 -10.6908 -5.7972 -5.7972 -5.7756 -5.7756 -4.1227 -4.1227 -4.0261 -4.0261 -3.8441 -3.8441 -3.8277 -3.8277 -2.9483 -2.9483 -2.3540 -2.3540 1.6425 1.6425 1.9249 1.9249 2.2362 2.2362 2.4916 2.4916 2.7223 2.7223 2.8662 2.8662 3.8970 3.8970 4.0458 4.0458 4.1754 4.1754 4.4833 4.4833 4.8811 4.8811 4.8953 4.8953 4.9874 4.9874 5.0839 5.0839 5.1295 5.1295 5.4679 5.4679 5.7985 5.7985 6.0646 6.0646 9.0276 9.0276 10.1019 10.1019 10.3223 10.3223 11.0764 11.0764 11.3444 11.3444 12.1152 12.1152 12.3600 12.3600 k = 0.0000 0.6830-0.0475 ( 6878 PWs) bands (ev): -19.1018 -19.1018 -19.0956 -19.0956 -12.5202 -12.5202 -12.4157 -12.4157 -10.8134 -10.8134 -10.7798 -10.7798 -10.7495 -10.7495 -10.6912 -10.6912 -5.7956 -5.7956 -5.7746 -5.7746 -4.1190 -4.1190 -4.0214 -4.0214 -3.8401 -3.8401 -3.8254 -3.8254 -2.9568 -2.9568 -2.3609 -2.3609 1.6436 1.6436 1.9230 1.9230 2.2366 2.2366 2.4940 2.4940 2.7209 2.7209 2.8687 2.8687 3.8999 3.8999 4.0471 4.0471 4.1600 4.1600 4.4893 4.4893 4.8853 4.8853 4.8936 4.8936 4.9826 4.9826 5.0815 5.0815 5.1247 5.1247 5.4646 5.4646 5.8064 5.8064 6.0573 6.0573 9.0321 9.0321 10.1054 10.1054 10.3233 10.3233 11.0845 11.0845 11.3374 11.3374 12.0701 12.0701 12.3572 12.3572 k = 0.0000 0.6882-0.0298 ( 6880 PWs) bands (ev): -19.1016 -19.1016 -19.0959 -19.0959 -12.5201 -12.5201 -12.4149 -12.4149 -10.8147 -10.8147 -10.7791 -10.7791 -10.7508 -10.7508 -10.6917 -10.6917 -5.7939 -5.7939 -5.7735 -5.7735 -4.1150 -4.1150 -4.0166 -4.0166 -3.8355 -3.8355 -3.8227 -3.8227 -2.9661 -2.9661 -2.3685 -2.3685 1.6446 1.6446 1.9212 1.9212 2.2365 2.2365 2.4964 2.4964 2.7195 2.7195 2.8720 2.8720 3.9029 3.9029 4.0485 4.0485 4.1435 4.1435 4.4960 4.4960 4.8892 4.8892 4.8919 4.8919 4.9776 4.9776 5.0793 5.0793 5.1195 5.1195 5.4609 5.4609 5.8137 5.8137 6.0502 6.0502 9.0368 9.0368 10.1091 10.1091 10.3251 10.3251 11.0926 11.0926 11.3306 11.3306 12.0241 12.0241 12.3557 12.3557 k = 0.0000 0.6934-0.0122 ( 6873 PWs) bands (ev): -19.1015 -19.1015 -19.0962 -19.0962 -12.5199 -12.5199 -12.4140 -12.4140 -10.8160 -10.8160 -10.7785 -10.7785 -10.7520 -10.7520 -10.6923 -10.6923 -5.7919 -5.7919 -5.7725 -5.7725 -4.1105 -4.1105 -4.0117 -4.0117 -3.8305 -3.8305 -3.8195 -3.8195 -2.9760 -2.9760 -2.3767 -2.3767 1.6453 1.6453 1.9196 1.9196 2.2359 2.2359 2.4989 2.4989 2.7182 2.7182 2.8760 2.8760 3.9059 3.9059 4.0498 4.0498 4.1262 4.1262 4.5031 4.5031 4.8877 4.8877 4.8949 4.8949 4.9728 4.9728 5.0773 5.0773 5.1138 5.1138 5.4567 5.4567 5.8198 5.8198 6.0439 6.0439 9.0416 9.0416 10.1129 10.1129 10.3280 10.3280 11.0999 11.0999 11.3248 11.3248 11.9784 11.9784 12.3553 12.3553 k = 0.0000 0.6986 0.0055 ( 6875 PWs) bands (ev): -19.1014 -19.1014 -19.0964 -19.0964 -12.5197 -12.5197 -12.4131 -12.4131 -10.8174 -10.8174 -10.7780 -10.7780 -10.7530 -10.7530 -10.6928 -10.6928 -5.7898 -5.7898 -5.7714 -5.7714 -4.1057 -4.1057 -4.0070 -4.0070 -3.8255 -3.8255 -3.8153 -3.8153 -2.9864 -2.9864 -2.3853 -2.3853 1.6456 1.6456 1.9182 1.9182 2.2349 2.2349 2.5010 2.5010 2.7172 2.7172 2.8808 2.8808 3.9089 3.9089 4.0507 4.0507 4.1087 4.1087 4.5106 4.5106 4.8837 4.8837 4.8995 4.8995 4.9684 4.9684 5.0756 5.0756 5.1077 5.1077 5.4521 5.4521 5.8242 5.8242 6.0387 6.0387 9.0462 9.0462 10.1168 10.1168 10.3321 10.3321 11.1057 11.1057 11.3209 11.3209 11.9338 11.9338 12.3562 12.3562 k = 0.0000 0.7038 0.0232 ( 6876 PWs) bands (ev): -19.1014 -19.1014 -19.0966 -19.0966 -12.5194 -12.5194 -12.4122 -12.4122 -10.8188 -10.8188 -10.7779 -10.7779 -10.7539 -10.7539 -10.6935 -10.6935 -5.7876 -5.7876 -5.7703 -5.7703 -4.1007 -4.1007 -4.0023 -4.0023 -3.8208 -3.8208 -3.8100 -3.8100 -2.9971 -2.9971 -2.3941 -2.3941 1.6456 1.6456 1.9170 1.9170 2.2333 2.2333 2.5027 2.5027 2.7166 2.7166 2.8865 2.8865 3.9118 3.9118 4.0502 4.0502 4.0923 4.0923 4.5184 4.5184 4.8783 4.8783 4.9043 4.9043 4.9649 4.9649 5.0740 5.0740 5.1015 5.1015 5.4470 5.4470 5.8264 5.8264 6.0351 6.0351 9.0505 9.0505 10.1208 10.1208 10.3376 10.3376 11.1092 11.1092 11.3198 11.3198 11.8910 11.8910 12.3583 12.3583 k = 0.0000 0.7090 0.0408 ( 6884 PWs) bands (ev): -19.1015 -19.1015 -19.0967 -19.0967 -12.5191 -12.5191 -12.4112 -12.4112 -10.8202 -10.8202 -10.7781 -10.7781 -10.7544 -10.7544 -10.6941 -10.6941 -5.7853 -5.7853 -5.7693 -5.7693 -4.0956 -4.0956 -3.9979 -3.9979 -3.8168 -3.8168 -3.8033 -3.8033 -3.0078 -3.0078 -2.4032 -2.4032 1.6451 1.6451 1.9158 1.9158 2.2315 2.2315 2.5036 2.5036 2.7166 2.7166 2.8931 2.8931 3.9147 3.9147 4.0458 4.0458 4.0798 4.0798 4.5263 4.5263 4.8715 4.8715 4.9089 4.9089 4.9625 4.9625 5.0721 5.0721 5.0955 5.0955 5.4415 5.4415 5.8260 5.8260 6.0334 6.0334 9.0544 9.0544 10.1248 10.1248 10.3447 10.3447 11.1096 11.1096 11.3224 11.3224 11.8506 11.8506 12.3614 12.3614 k = 0.0000 0.7141 0.0585 ( 6876 PWs) bands (ev): -19.1017 -19.1017 -19.0968 -19.0968 -12.5188 -12.5188 -12.4103 -12.4103 -10.8215 -10.8215 -10.7787 -10.7787 -10.7544 -10.7544 -10.6947 -10.6947 -5.7829 -5.7829 -5.7683 -5.7683 -4.0903 -4.0903 -3.9937 -3.9937 -3.8131 -3.8131 -3.7957 -3.7957 -3.0185 -3.0185 -2.4123 -2.4123 1.6441 1.6441 1.9147 1.9147 2.2295 2.2295 2.5035 2.5035 2.7173 2.7173 2.9004 2.9004 3.9175 3.9175 4.0347 4.0347 4.0742 4.0742 4.5342 4.5342 4.8636 4.8636 4.9134 4.9134 4.9614 4.9614 5.0692 5.0692 5.0908 5.0908 5.4356 5.4356 5.8229 5.8229 6.0334 6.0334 9.0579 9.0579 10.1290 10.1290 10.3533 10.3533 11.1067 11.1067 11.3291 11.3291 11.8132 11.8132 12.3652 12.3652 k = 0.5000 0.5686 0.4360 ( 6868 PWs) bands (ev): -19.0984 -19.0984 -19.0984 -19.0984 -12.4031 -12.4031 -12.4006 -12.4006 -10.9371 -10.9371 -10.9344 -10.9344 -10.7228 -10.7228 -10.7210 -10.7210 -5.7127 -5.7127 -5.7063 -5.7063 -3.8584 -3.8584 -3.8494 -3.8494 -3.7149 -3.7149 -3.6822 -3.6822 -2.9716 -2.9716 -2.9392 -2.9392 1.5906 1.5906 1.6065 1.6065 2.3729 2.3729 2.4171 2.4171 3.0709 3.0709 3.1499 3.1499 3.8218 3.8218 3.8265 3.8265 4.2577 4.2577 4.2727 4.2727 4.6607 4.6607 4.6677 4.6677 4.9799 4.9799 4.9908 4.9908 5.2288 5.2288 5.2337 5.2337 6.0663 6.0663 6.0988 6.0988 9.6162 9.6162 9.6447 9.6447 11.0535 11.0535 11.1179 11.1179 11.4093 11.4093 11.4568 11.4568 12.5467 12.5637 k = 0.5000 0.5503 0.4360 ( 6872 PWs) bands (ev): -19.0988 -19.0988 -19.0987 -19.0987 -12.4069 -12.4069 -12.4041 -12.4041 -10.9350 -10.9350 -10.9323 -10.9323 -10.7189 -10.7189 -10.7164 -10.7164 -5.7134 -5.7134 -5.7067 -5.7067 -3.8576 -3.8576 -3.8487 -3.8487 -3.7158 -3.7158 -3.6828 -3.6828 -2.9599 -2.9599 -2.9286 -2.9286 1.5868 1.5868 1.6075 1.6075 2.3532 2.3532 2.4048 2.4048 3.0539 3.0539 3.1466 3.1466 3.8272 3.8272 3.8323 3.8323 4.2524 4.2524 4.2683 4.2683 4.6539 4.6539 4.6611 4.6611 4.9839 4.9839 4.9965 4.9965 5.2233 5.2233 5.2287 5.2287 6.0437 6.0437 6.0833 6.0833 9.6364 9.6364 9.6686 9.6686 11.0583 11.0583 11.1334 11.1334 11.4358 11.4358 11.4943 11.4943 12.5433 12.5602 k = 0.5000 0.5319 0.4360 ( 6880 PWs) bands (ev): -19.0992 -19.0992 -19.0992 -19.0992 -12.4113 -12.4113 -12.4082 -12.4082 -10.9324 -10.9324 -10.9297 -10.9297 -10.7144 -10.7144 -10.7113 -10.7113 -5.7141 -5.7141 -5.7072 -5.7072 -3.8568 -3.8568 -3.8480 -3.8480 -3.7166 -3.7166 -3.6837 -3.6837 -2.9456 -2.9456 -2.9155 -2.9155 1.5823 1.5823 1.6081 1.6081 2.3318 2.3318 2.3896 2.3896 3.0340 3.0340 3.1395 3.1395 3.8341 3.8341 3.8398 3.8398 4.2468 4.2468 4.2635 4.2635 4.6464 4.6464 4.6541 4.6541 4.9873 4.9873 5.0013 5.0013 5.2173 5.2173 5.2230 5.2230 6.0181 6.0181 6.0642 6.0642 9.6602 9.6602 9.6952 9.6952 11.0668 11.0668 11.1502 11.1502 11.4703 11.4703 11.5372 11.5372 12.5437 12.5706 k = 0.5000 0.5136 0.4360 ( 6888 PWs) bands (ev): -19.0997 -19.0997 -19.0997 -19.0997 -12.4162 -12.4162 -12.4129 -12.4129 -10.9292 -10.9292 -10.9266 -10.9266 -10.7093 -10.7093 -10.7057 -10.7057 -5.7149 -5.7149 -5.7078 -5.7078 -3.8562 -3.8562 -3.8472 -3.8472 -3.7172 -3.7172 -3.6849 -3.6849 -2.9286 -2.9286 -2.9000 -2.9000 1.5771 1.5771 1.6084 1.6084 2.3088 2.3088 2.3715 2.3715 3.0111 3.0111 3.1283 3.1283 3.8426 3.8426 3.8489 3.8489 4.2409 4.2409 4.2582 4.2582 4.6385 4.6385 4.6466 4.6466 4.9901 4.9901 5.0053 5.0053 5.2111 5.2111 5.2167 5.2167 5.9899 5.9899 6.0420 6.0420 9.6868 9.6868 9.7239 9.7239 11.0793 11.0793 11.1689 11.1689 11.5120 11.5120 11.5852 11.5852 12.5417 12.5715 k = 0.5000 0.4952 0.4360 ( 6884 PWs) bands (ev): -19.1003 -19.1003 -19.1003 -19.1003 -12.4217 -12.4217 -12.4181 -12.4181 -10.9256 -10.9256 -10.9230 -10.9230 -10.7038 -10.7038 -10.6996 -10.6996 -5.7157 -5.7157 -5.7085 -5.7085 -3.8556 -3.8556 -3.8462 -3.8462 -3.7177 -3.7177 -3.6863 -3.6863 -2.9092 -2.9092 -2.8821 -2.8821 1.5712 1.5712 1.6084 1.6084 2.2843 2.2843 2.3505 2.3505 2.9851 2.9851 3.1128 3.1128 3.8528 3.8528 3.8597 3.8597 4.2347 4.2347 4.2526 4.2526 4.6303 4.6303 4.6391 4.6391 4.9924 4.9924 5.0083 5.0083 5.2048 5.2048 5.2100 5.2100 5.9598 5.9598 6.0169 6.0169 9.7156 9.7156 9.7540 9.7540 11.0959 11.0959 11.1899 11.1899 11.5600 11.5600 11.6379 11.6379 12.5446 12.5553 k = 0.5000 0.4769 0.4360 ( 6886 PWs) bands (ev): -19.1010 -19.1010 -19.1010 -19.1010 -12.4275 -12.4275 -12.4237 -12.4237 -10.9216 -10.9216 -10.9190 -10.9190 -10.6978 -10.6978 -10.6931 -10.6931 -5.7166 -5.7166 -5.7092 -5.7092 -3.8551 -3.8551 -3.8451 -3.8451 -3.7181 -3.7181 -3.6880 -3.6880 -2.8874 -2.8874 -2.8619 -2.8619 1.5646 1.5646 1.6080 1.6080 2.2586 2.2586 2.3268 2.3268 2.9561 2.9561 3.0932 3.0932 3.8648 3.8648 3.8723 3.8723 4.2284 4.2284 4.2467 4.2467 4.6220 4.6220 4.6314 4.6314 4.9942 4.9942 5.0104 5.0104 5.1983 5.1983 5.2028 5.2028 5.9280 5.9280 5.9896 5.9896 9.7461 9.7461 9.7850 9.7850 11.1166 11.1166 11.2135 11.2135 11.6138 11.6138 11.6948 11.6948 12.5518 12.5585 k = 0.5000 0.4586 0.4360 ( 6886 PWs) bands (ev): -19.1017 -19.1017 -19.1017 -19.1017 -12.4337 -12.4337 -12.4298 -12.4298 -10.9171 -10.9171 -10.9146 -10.9146 -10.6914 -10.6914 -10.6862 -10.6862 -5.7176 -5.7176 -5.7100 -5.7100 -3.8545 -3.8545 -3.8438 -3.8438 -3.7185 -3.7185 -3.6900 -3.6900 -2.8633 -2.8633 -2.8396 -2.8396 1.5571 1.5571 1.6073 1.6073 2.2317 2.2317 2.3003 2.3003 2.9244 2.9244 3.0696 3.0696 3.8784 3.8784 3.8864 3.8864 4.2218 4.2218 4.2404 4.2404 4.6138 4.6138 4.6239 4.6239 4.9953 4.9953 5.0116 5.0116 5.1920 5.1920 5.1955 5.1955 5.8952 5.8952 5.9605 5.9605 9.7777 9.7777 9.8163 9.8163 11.1413 11.1413 11.2398 11.2398 11.6725 11.6725 11.7556 11.7556 12.5530 12.5653 k = 0.5000 0.4402 0.4360 ( 6892 PWs) bands (ev): -19.1025 -19.1025 -19.1025 -19.1025 -12.4403 -12.4403 -12.4362 -12.4362 -10.9123 -10.9123 -10.9098 -10.9098 -10.6846 -10.6846 -10.6791 -10.6791 -5.7186 -5.7186 -5.7109 -5.7109 -3.8538 -3.8538 -3.8424 -3.8424 -3.7188 -3.7188 -3.6923 -3.6923 -2.8371 -2.8371 -2.8151 -2.8151 1.5488 1.5488 1.6064 1.6064 2.2038 2.2038 2.2709 2.2709 2.8902 2.8902 3.0421 3.0421 3.8936 3.8936 3.9021 3.9021 4.2152 4.2152 4.2338 4.2338 4.6056 4.6056 4.6165 4.6165 4.9959 4.9959 5.0119 5.0119 5.1859 5.1859 5.1880 5.1880 5.8617 5.8617 5.9300 5.9300 9.8098 9.8098 9.8477 9.8477 11.1699 11.1699 11.2688 11.2688 11.7356 11.7356 11.8201 11.8201 12.5606 12.5636 k = 0.5000 0.4219 0.4360 ( 6894 PWs) bands (ev): -19.1033 -19.1033 -19.1033 -19.1033 -12.4471 -12.4471 -12.4429 -12.4429 -10.9071 -10.9071 -10.9047 -10.9047 -10.6776 -10.6776 -10.6717 -10.6717 -5.7196 -5.7196 -5.7119 -5.7119 -3.8531 -3.8531 -3.8407 -3.8407 -3.7192 -3.7192 -3.6947 -3.6947 -2.8088 -2.8088 -2.7887 -2.7887 1.5396 1.5396 1.6051 1.6051 2.1749 2.1749 2.2386 2.2386 2.8541 2.8541 3.0112 3.0112 3.9104 3.9104 3.9191 3.9191 4.2086 4.2086 4.2270 4.2270 4.5977 4.5977 4.6093 4.6093 4.9959 4.9959 5.0114 5.0114 5.1801 5.1801 5.1806 5.1806 5.8278 5.8278 5.8985 5.8985 9.8420 9.8420 9.8787 9.8787 11.2020 11.2020 11.3004 11.3004 11.8025 11.8025 11.8877 11.8877 12.5693 12.5717 k = 0.5000 0.4035 0.4360 ( 6894 PWs) bands (ev): -19.1042 -19.1042 -19.1042 -19.1042 -12.4542 -12.4542 -12.4499 -12.4499 -10.9017 -10.9017 -10.8993 -10.8993 -10.6704 -10.6704 -10.6642 -10.6642 -5.7206 -5.7206 -5.7129 -5.7129 -3.8522 -3.8522 -3.8388 -3.8388 -3.7196 -3.7196 -3.6975 -3.6975 -2.7788 -2.7788 -2.7604 -2.7604 1.5294 1.5294 1.6036 1.6036 2.1451 2.1451 2.2034 2.2034 2.8167 2.8167 2.9774 2.9774 3.9285 3.9285 3.9373 3.9373 4.2021 4.2021 4.2200 4.2200 4.5900 4.5900 4.6023 4.6023 4.9952 4.9952 5.0099 5.0099 5.1735 5.1735 5.1748 5.1748 5.7940 5.7940 5.8665 5.8665 9.8740 9.8740 9.9091 9.9091 11.2373 11.2373 11.3343 11.3343 11.8726 11.8726 11.9583 11.9583 12.5800 12.5811 k = 0.5000 0.3852 0.4360 ( 6898 PWs) bands (ev): -19.1051 -19.1051 -19.1051 -19.1051 -12.4614 -12.4614 -12.4571 -12.4571 -10.8960 -10.8960 -10.8937 -10.8937 -10.6630 -10.6630 -10.6566 -10.6566 -5.7217 -5.7217 -5.7140 -5.7140 -3.8512 -3.8512 -3.8367 -3.8367 -3.7200 -3.7200 -3.7003 -3.7003 -2.7471 -2.7471 -2.7305 -2.7305 1.5182 1.5182 1.6017 1.6017 2.1147 2.1147 2.1652 2.1652 2.7786 2.7786 2.9413 2.9413 3.9477 3.9477 3.9563 3.9563 4.1959 4.1959 4.2130 4.2130 4.5824 4.5824 4.5954 4.5954 4.9940 4.9940 5.0077 5.0077 5.1668 5.1668 5.1701 5.1701 5.7606 5.7606 5.8343 5.8343 9.9055 9.9055 9.9388 9.9388 11.2754 11.2754 11.3702 11.3702 11.9453 11.9453 12.0313 12.0313 12.5942 12.6181 k = 0.5000 0.3668 0.4360 ( 6906 PWs) bands (ev): -19.1060 -19.1060 -19.1060 -19.1060 -12.4687 -12.4687 -12.4644 -12.4644 -10.8901 -10.8901 -10.8879 -10.8879 -10.6554 -10.6554 -10.6489 -10.6489 -5.7227 -5.7227 -5.7151 -5.7151 -3.8501 -3.8501 -3.8344 -3.8344 -3.7204 -3.7204 -3.7034 -3.7034 -2.7140 -2.7140 -2.6990 -2.6990 1.5058 1.5058 1.5995 1.5995 2.0837 2.0837 2.1241 2.1241 2.7405 2.7405 2.9033 2.9033 3.9678 3.9678 3.9758 3.9758 4.1902 4.1902 4.2060 4.2060 4.5750 4.5750 4.5885 4.5885 4.9920 4.9920 5.0047 5.0047 5.1606 5.1606 5.1660 5.1660 5.7277 5.7277 5.8021 5.8021 9.9362 9.9362 9.9676 9.9676 11.3159 11.3159 11.4078 11.4078 12.0199 12.0199 12.1062 12.1062 12.6065 12.6067 k = 0.5000 0.3485 0.4360 ( 6916 PWs) bands (ev): -19.1070 -19.1070 -19.1069 -19.1069 -12.4761 -12.4761 -12.4718 -12.4718 -10.8841 -10.8841 -10.8820 -10.8820 -10.6479 -10.6479 -10.6412 -10.6412 -5.7237 -5.7237 -5.7162 -5.7162 -3.8488 -3.8488 -3.8320 -3.8320 -3.7209 -3.7209 -3.7065 -3.7065 -2.6795 -2.6795 -2.6662 -2.6662 1.4921 1.4921 1.5969 1.5969 2.0524 2.0524 2.0800 2.0800 2.7030 2.7030 2.8641 2.8641 3.9884 3.9884 3.9954 3.9954 4.1851 4.1851 4.1993 4.1993 4.5676 4.5676 4.5815 4.5815 4.9895 4.9895 5.0011 5.0011 5.1552 5.1552 5.1626 5.1626 5.6956 5.6956 5.7703 5.7703 9.9661 9.9661 9.9954 9.9954 11.3583 11.3583 11.4468 11.4468 12.0957 12.0957 12.1823 12.1823 12.6225 12.6226 k = 0.5000 0.3302 0.4360 ( 6908 PWs) bands (ev): -19.1079 -19.1079 -19.1079 -19.1079 -12.4834 -12.4834 -12.4791 -12.4791 -10.8779 -10.8779 -10.8760 -10.8760 -10.6403 -10.6403 -10.6336 -10.6336 -5.7248 -5.7248 -5.7173 -5.7173 -3.8474 -3.8474 -3.8294 -3.8294 -3.7214 -3.7214 -3.7097 -3.7097 -2.6441 -2.6441 -2.6323 -2.6323 1.4772 1.4772 1.5938 1.5938 2.0208 2.0208 2.0334 2.0334 2.6667 2.6667 2.8244 2.8244 4.0092 4.0092 4.0144 4.0144 4.1813 4.1813 4.1931 4.1931 4.5601 4.5601 4.5744 4.5744 4.9865 4.9865 4.9971 4.9971 5.1506 5.1506 5.1598 5.1598 5.6645 5.6645 5.7390 5.7390 9.9951 9.9951 10.0223 10.0223 11.4022 11.4022 11.4868 11.4868 12.1718 12.1718 12.2590 12.2590 12.6401 12.6402 k = 0.5000 0.3118 0.4360 ( 6904 PWs) bands (ev): -19.1089 -19.1089 -19.1089 -19.1089 -12.4906 -12.4906 -12.4864 -12.4864 -10.8717 -10.8717 -10.8699 -10.8699 -10.6328 -10.6328 -10.6261 -10.6261 -5.7258 -5.7258 -5.7185 -5.7185 -3.8458 -3.8458 -3.8267 -3.8267 -3.7220 -3.7220 -3.7129 -3.7129 -2.6078 -2.6078 -2.5975 -2.5975 1.4608 1.4608 1.5901 1.5901 1.9846 1.9846 1.9894 1.9894 2.6321 2.6321 2.7846 2.7846 4.0295 4.0295 4.0323 4.0323 4.1790 4.1790 4.1879 4.1879 4.5526 4.5526 4.5671 4.5671 4.9831 4.9831 4.9928 4.9928 5.1467 5.1467 5.1578 5.1578 5.6346 5.6346 5.7085 5.7085 10.0230 10.0230 10.0481 10.0481 11.4471 11.4471 11.5275 11.5275 12.2471 12.2471 12.3348 12.3348 12.6605 12.6605 k = 0.5000 0.2935 0.4360 ( 6902 PWs) bands (ev): -19.1098 -19.1098 -19.1098 -19.1098 -12.4977 -12.4977 -12.4937 -12.4937 -10.8656 -10.8656 -10.8638 -10.8638 -10.6254 -10.6254 -10.6187 -10.6187 -5.7268 -5.7268 -5.7196 -5.7196 -3.8442 -3.8442 -3.8240 -3.8240 -3.7225 -3.7225 -3.7161 -3.7161 -2.5710 -2.5710 -2.5620 -2.5620 1.4430 1.4430 1.5854 1.5854 1.9343 1.9343 1.9583 1.9583 2.5994 2.5994 2.7454 2.7454 4.0482 4.0482 4.0486 4.0486 4.1791 4.1791 4.1843 4.1843 4.5451 4.5451 4.5595 4.5595 4.9795 4.9795 4.9884 4.9884 5.1437 5.1437 5.1563 5.1563 5.6059 5.6059 5.6788 5.6788 10.0498 10.0498 10.0729 10.0729 11.4927 11.4927 11.5685 11.5685 12.3203 12.3203 12.4080 12.4080 12.6847 12.6848 k = 0.5000 0.2751 0.4360 ( 6902 PWs) bands (ev): -19.1108 -19.1108 -19.1108 -19.1108 -12.5047 -12.5047 -12.5007 -12.5007 -10.8595 -10.8595 -10.8578 -10.8578 -10.6182 -10.6182 -10.6116 -10.6116 -5.7277 -5.7277 -5.7208 -5.7208 -3.8424 -3.8424 -3.8213 -3.8213 -3.7230 -3.7230 -3.7192 -3.7192 -2.5339 -2.5339 -2.5261 -2.5261 1.4236 1.4236 1.5794 1.5794 1.8834 1.8834 1.9279 1.9279 2.5690 2.5690 2.7072 2.7072 4.0611 4.0611 4.0655 4.0655 4.1821 4.1821 4.1828 4.1828 4.5377 4.5377 4.5518 4.5518 4.9758 4.9758 4.9842 4.9842 5.1413 5.1413 5.1551 5.1551 5.5786 5.5786 5.6502 5.6502 10.0755 10.0755 10.0967 10.0967 11.5385 11.5385 11.6096 11.6096 12.3898 12.3898 12.4756 12.4756 12.7148 12.7148 k = 0.5000 0.2568 0.4360 ( 6908 PWs) bands (ev): -19.1117 -19.1117 -19.1117 -19.1117 -12.5114 -12.5114 -12.5076 -12.5076 -10.8534 -10.8534 -10.8519 -10.8519 -10.6112 -10.6112 -10.6048 -10.6048 -5.7286 -5.7286 -5.7219 -5.7219 -3.8406 -3.8406 -3.8186 -3.8186 -3.7235 -3.7235 -3.7221 -3.7221 -2.4968 -2.4968 -2.4900 -2.4900 1.4028 1.4028 1.5713 1.5713 1.8334 1.8334 1.8985 1.8985 2.5409 2.5409 2.6703 2.6703 4.0705 4.0705 4.0791 4.0791 4.1845 4.1845 4.1881 4.1881 4.5306 4.5306 4.5442 4.5442 4.9722 4.9722 4.9802 4.9802 5.1394 5.1394 5.1543 5.1543 5.5529 5.5529 5.6227 5.6227 10.1000 10.1000 10.1193 10.1193 11.5841 11.5841 11.6503 11.6503 12.4538 12.4538 12.5339 12.5339 12.7541 12.7541 k = 0.5000 0.2384 0.4360 ( 6908 PWs) bands (ev): -19.1126 -19.1126 -19.1126 -19.1126 -12.5178 -12.5178 -12.5142 -12.5142 -10.8476 -10.8476 -10.8462 -10.8462 -10.6045 -10.6045 -10.5983 -10.5983 -5.7294 -5.7294 -5.7231 -5.7231 -3.8387 -3.8387 -3.8161 -3.8161 -3.7248 -3.7248 -3.7240 -3.7240 -2.4599 -2.4599 -2.4542 -2.4542 1.3806 1.3806 1.5599 1.5599 1.7863 1.7863 1.8705 1.8705 2.5153 2.5153 2.6352 2.6352 4.0766 4.0766 4.0884 4.0884 4.1898 4.1898 4.1967 4.1967 4.5242 4.5242 4.5369 4.5369 4.9688 4.9688 4.9766 4.9766 5.1378 5.1378 5.1534 5.1534 5.5288 5.5288 5.5964 5.5964 10.1233 10.1233 10.1408 10.1408 11.6293 11.6293 11.6905 11.6905 12.5105 12.5105 12.5800 12.5800 12.8047 12.8047 k = 0.5000 0.2201 0.4360 ( 6912 PWs) bands (ev): -19.1135 -19.1135 -19.1135 -19.1135 -12.5240 -12.5240 -12.5206 -12.5206 -10.8419 -10.8419 -10.8406 -10.8406 -10.5980 -10.5980 -10.5921 -10.5921 -5.7302 -5.7302 -5.7242 -5.7242 -3.8367 -3.8367 -3.8138 -3.8138 -3.7273 -3.7273 -3.7244 -3.7244 -2.4237 -2.4237 -2.4188 -2.4188 1.3572 1.3572 1.5432 1.5432 1.7445 1.7445 1.8440 1.8440 2.4920 2.4920 2.6020 2.6020 4.0800 4.0800 4.0936 4.0936 4.1981 4.1981 4.2068 4.2068 4.5189 4.5189 4.5304 4.5304 4.9658 4.9658 4.9735 4.9735 5.1365 5.1365 5.1525 5.1525 5.5065 5.5065 5.5715 5.5715 10.1453 10.1453 10.1610 10.1610 11.6736 11.6736 11.7299 11.7299 12.5587 12.5587 12.6141 12.6141 12.8654 12.8654 k = 0.5000 0.2018 0.4360 ( 6902 PWs) bands (ev): -19.1143 -19.1143 -19.1143 -19.1143 -12.5297 -12.5297 -12.5265 -12.5265 -10.8365 -10.8365 -10.8353 -10.8353 -10.5919 -10.5919 -10.5863 -10.5863 -5.7309 -5.7309 -5.7253 -5.7253 -3.8348 -3.8348 -3.8117 -3.8117 -3.7294 -3.7294 -3.7248 -3.7248 -2.3884 -2.3884 -2.3843 -2.3843 1.3331 1.3331 1.5194 1.5194 1.7107 1.7107 1.8193 1.8193 2.4711 2.4711 2.5711 2.5711 4.0816 4.0816 4.0958 4.0958 4.2080 4.2080 4.2168 4.2168 4.5152 4.5152 4.5252 4.5252 4.9632 4.9632 4.9709 4.9709 5.1351 5.1351 5.1511 5.1511 5.4860 5.4860 5.5480 5.5480 10.1659 10.1659 10.1801 10.1801 11.7168 11.7168 11.7681 11.7681 12.5983 12.5983 12.6393 12.6393 12.9318 12.9318 k = 0.5000 0.1834 0.4360 ( 6900 PWs) bands (ev): -19.1151 -19.1151 -19.1151 -19.1151 -12.5351 -12.5351 -12.5322 -12.5322 -10.8314 -10.8314 -10.8303 -10.8303 -10.5862 -10.5862 -10.5810 -10.5810 -5.7316 -5.7316 -5.7263 -5.7263 -3.8328 -3.8328 -3.8101 -3.8101 -3.7311 -3.7311 -3.7251 -3.7251 -2.3544 -2.3544 -2.3510 -2.3510 1.3085 1.3085 1.4880 1.4880 1.6862 1.6862 1.7965 1.7965 2.4526 2.4526 2.5424 2.5424 4.0823 4.0823 4.0960 4.0960 4.2178 4.2178 4.2256 4.2256 4.5136 4.5136 4.5218 4.5218 4.9609 4.9609 4.9686 4.9686 5.1335 5.1335 5.1493 5.1493 5.4676 5.4676 5.5261 5.5261 10.1852 10.1852 10.1978 10.1978 11.7584 11.7584 11.8047 11.8047 12.6302 12.6302 12.6587 12.6587 12.9984 12.9986 k = 0.5000 0.1651 0.4360 ( 6890 PWs) bands (ev): -19.1158 -19.1158 -19.1158 -19.1158 -12.5400 -12.5400 -12.5373 -12.5373 -10.8267 -10.8267 -10.8257 -10.8257 -10.5809 -10.5809 -10.5761 -10.5761 -5.7321 -5.7321 -5.7273 -5.7273 -3.8308 -3.8308 -3.8088 -3.8088 -3.7324 -3.7324 -3.7255 -3.7255 -2.3220 -2.3220 -2.3192 -2.3192 1.2841 1.2841 1.4506 1.4506 1.6700 1.6700 1.7757 1.7757 2.4363 2.4363 2.5161 2.5161 4.0826 4.0826 4.0952 4.0952 4.2261 4.2261 4.2323 4.2323 4.5144 4.5144 4.5207 4.5207 4.9590 4.9590 4.9668 4.9668 5.1318 5.1318 5.1468 5.1468 5.4514 5.4514 5.5058 5.5058 10.2030 10.2030 10.2141 10.2141 11.7982 11.7982 11.8395 11.8395 12.6559 12.6559 12.6743 12.6743 13.0574 13.0591 k = 0.5000 0.1467 0.4360 ( 6878 PWs) bands (ev): -19.1165 -19.1165 -19.1165 -19.1165 -12.5445 -12.5445 -12.5421 -12.5421 -10.8223 -10.8223 -10.8214 -10.8214 -10.5760 -10.5760 -10.5716 -10.5716 -5.7326 -5.7326 -5.7283 -5.7283 -3.8289 -3.8289 -3.8080 -3.8080 -3.7333 -3.7333 -3.7258 -3.7258 -2.2917 -2.2917 -2.2894 -2.2894 1.2606 1.2606 1.4103 1.4103 1.6599 1.6599 1.7568 1.7568 2.4223 2.4223 2.4923 2.4923 4.0828 4.0828 4.0941 4.0941 4.2320 4.2320 4.2365 4.2365 4.5177 4.5177 4.5220 4.5220 4.9575 4.9575 4.9652 4.9652 5.1297 5.1297 5.1437 5.1437 5.4374 5.4374 5.4872 5.4872 10.2192 10.2192 10.2290 10.2290 11.8356 11.8356 11.8721 11.8721 12.6768 12.6768 12.6875 12.6875 13.0890 13.0891 k = 0.5000 0.1284 0.4360 ( 6880 PWs) bands (ev): -19.1171 -19.1171 -19.1171 -19.1171 -12.5485 -12.5485 -12.5464 -12.5464 -10.8183 -10.8183 -10.8176 -10.8176 -10.5716 -10.5716 -10.5677 -10.5677 -5.7331 -5.7331 -5.7292 -5.7292 -3.8269 -3.8269 -3.8076 -3.8076 -3.7337 -3.7337 -3.7261 -3.7261 -2.2638 -2.2638 -2.2620 -2.2620 1.2385 1.2385 1.3696 1.3696 1.6540 1.6540 1.7399 1.7399 2.4104 2.4104 2.4708 2.4708 4.0831 4.0831 4.0930 4.0930 4.2354 4.2354 4.2382 4.2382 4.5232 4.5232 4.5258 4.5258 4.9563 4.9563 4.9638 4.9638 5.1273 5.1273 5.1399 5.1399 5.4257 5.4257 5.4704 5.4704 10.2339 10.2339 10.2422 10.2422 11.8704 11.8704 11.9021 11.9021 12.6941 12.6941 12.6991 12.6991 13.0944 13.0945 k = 0.5000 0.1101 0.4360 ( 6876 PWs) bands (ev): -19.1176 -19.1176 -19.1176 -19.1176 -12.5520 -12.5520 -12.5502 -12.5502 -10.8148 -10.8148 -10.8142 -10.8142 -10.5677 -10.5677 -10.5643 -10.5643 -5.7334 -5.7334 -5.7300 -5.7300 -3.8250 -3.8250 -3.8076 -3.8076 -3.7338 -3.7338 -3.7265 -3.7265 -2.2387 -2.2387 -2.2372 -2.2372 1.2187 1.2187 1.3304 1.3304 1.6510 1.6510 1.7248 1.7248 2.4007 2.4007 2.4518 2.4518 4.0836 4.0836 4.0921 4.0921 4.2365 4.2365 4.2378 4.2378 4.5303 4.5303 4.5314 4.5314 4.9553 4.9553 4.9625 4.9625 5.1247 5.1247 5.1356 5.1356 5.4164 5.4164 5.4555 5.4555 10.2468 10.2468 10.2539 10.2539 11.9021 11.9021 11.9291 11.9291 12.7086 12.7086 12.7094 12.7094 13.0868 13.0869 k = 0.5000 0.0917 0.4360 ( 6874 PWs) bands (ev): -19.1181 -19.1181 -19.1181 -19.1181 -12.5550 -12.5550 -12.5534 -12.5534 -10.8118 -10.8118 -10.8112 -10.8112 -10.5644 -10.5644 -10.5615 -10.5615 -5.7336 -5.7336 -5.7307 -5.7307 -3.8231 -3.8231 -3.8081 -3.8081 -3.7335 -3.7335 -3.7269 -3.7269 -2.2167 -2.2167 -2.2155 -2.2155 1.2019 1.2019 1.2942 1.2942 1.6500 1.6500 1.7114 1.7114 2.3931 2.3931 2.4352 2.4352 4.0844 4.0844 4.0914 4.0914 4.2356 4.2356 4.2359 4.2359 4.5381 4.5381 4.5383 4.5383 4.9546 4.9546 4.9612 4.9612 5.1220 5.1220 5.1311 5.1311 5.4093 5.4093 5.4424 5.4424 10.2580 10.2580 10.2638 10.2638 11.9303 11.9303 11.9526 11.9526 12.7188 12.7188 12.7208 12.7208 13.0747 13.0748 k = 0.5000 0.0734 0.4360 ( 6880 PWs) bands (ev): -19.1185 -19.1185 -19.1185 -19.1185 -12.5574 -12.5574 -12.5562 -12.5562 -10.8093 -10.8093 -10.8088 -10.8088 -10.5615 -10.5615 -10.5592 -10.5592 -5.7337 -5.7337 -5.7314 -5.7314 -3.8213 -3.8213 -3.8088 -3.8088 -3.7330 -3.7330 -3.7274 -3.7274 -2.1982 -2.1982 -2.1973 -2.1973 1.1887 1.1887 1.2619 1.2619 1.6507 1.6507 1.6995 1.6995 2.3876 2.3876 2.4210 2.4210 4.0854 4.0854 4.0909 4.0909 4.2332 4.2332 4.2335 4.2335 4.5455 4.5455 4.5460 4.5460 4.9542 4.9542 4.9599 4.9599 5.1195 5.1195 5.1266 5.1266 5.4044 5.4044 5.4312 5.4312 10.2673 10.2673 10.2719 10.2719 11.9545 11.9545 11.9722 11.9722 12.7274 12.7274 12.7310 12.7310 13.0618 13.0619 k = 0.5000 0.0550 0.4360 ( 6880 PWs) bands (ev): -19.1188 -19.1188 -19.1187 -19.1187 -12.5593 -12.5593 -12.5584 -12.5584 -10.8073 -10.8073 -10.8069 -10.8069 -10.5592 -10.5592 -10.5575 -10.5575 -5.7338 -5.7338 -5.7320 -5.7320 -3.8194 -3.8194 -3.8099 -3.8099 -3.7324 -3.7324 -3.7279 -3.7279 -2.1834 -2.1834 -2.1828 -2.1828 1.1797 1.1797 1.2342 1.2342 1.6526 1.6526 1.6891 1.6891 2.3842 2.3842 2.4091 2.4091 4.0866 4.0866 4.0906 4.0906 4.2303 4.2303 4.2309 4.2309 4.5523 4.5523 4.5530 4.5530 4.9540 4.9540 4.9586 4.9586 5.1173 5.1173 5.1225 5.1225 5.4016 5.4016 5.4218 5.4218 10.2748 10.2748 10.2782 10.2782 11.9742 11.9742 11.9875 11.9875 12.7350 12.7350 12.7390 12.7390 13.0502 13.0504 k = 0.5000 0.0367 0.4360 ( 6880 PWs) bands (ev): -19.1190 -19.1190 -19.1190 -19.1190 -12.5606 -12.5606 -12.5600 -12.5600 -10.8058 -10.8058 -10.8056 -10.8056 -10.5575 -10.5575 -10.5563 -10.5563 -5.7337 -5.7337 -5.7326 -5.7326 -3.8176 -3.8176 -3.8112 -3.8112 -3.7316 -3.7316 -3.7285 -3.7285 -2.1727 -2.1727 -2.1723 -2.1723 1.1754 1.1754 1.2116 1.2116 1.6558 1.6558 1.6800 1.6800 2.3830 2.3830 2.3994 2.3994 4.0877 4.0877 4.0903 4.0903 4.2279 4.2279 4.2285 4.2285 4.5578 4.5578 4.5585 4.5585 4.9541 4.9541 4.9573 4.9573 5.1157 5.1157 5.1191 5.1191 5.4006 5.4006 5.4142 5.4142 10.2803 10.2803 10.2826 10.2826 11.9893 11.9893 11.9981 11.9981 12.7413 12.7413 12.7447 12.7447 13.0414 13.0415 k = 0.5000 0.0183 0.4360 ( 6884 PWs) bands (ev): -19.1191 -19.1191 -19.1191 -19.1191 -12.5613 -12.5613 -12.5610 -12.5610 -10.8049 -10.8049 -10.8048 -10.8048 -10.5563 -10.5563 -10.5557 -10.5557 -5.7336 -5.7336 -5.7330 -5.7330 -3.8159 -3.8159 -3.8126 -3.8126 -3.7308 -3.7308 -3.7292 -3.7292 -2.1661 -2.1661 -2.1659 -2.1659 1.1763 1.1763 1.1943 1.1943 1.6602 1.6602 1.6722 1.6722 2.3838 2.3838 2.3920 2.3920 4.0886 4.0886 4.0899 4.0899 4.2264 4.2264 4.2267 4.2267 4.5615 4.5615 4.5619 4.5619 4.9545 4.9545 4.9562 4.9562 5.1150 5.1150 5.1166 5.1166 5.4015 5.4015 5.4083 5.4083 10.2838 10.2838 10.2850 10.2850 11.9993 11.9993 12.0037 12.0037 12.7458 12.7458 12.7478 12.7478 13.0364 13.0367 k = 0.5000-0.0000 0.4360 ( 6880 PWs) bands (ev): -19.1191 -19.1191 -19.1191 -19.1191 -12.5614 -12.5614 -12.5614 -12.5614 -10.8046 -10.8046 -10.8046 -10.8046 -10.5557 -10.5557 -10.5557 -10.5557 -5.7333 -5.7333 -5.7333 -5.7333 -3.8142 -3.8142 -3.8142 -3.8142 -3.7300 -3.7300 -3.7300 -3.7300 -2.1639 -2.1639 -2.1639 -2.1639 1.1825 1.1825 1.1825 1.1825 1.6656 1.6656 1.6656 1.6656 2.3869 2.3869 2.3869 2.3869 4.0894 4.0894 4.0894 4.0894 4.2260 4.2260 4.2260 4.2260 4.5629 4.5629 4.5629 4.5629 4.9552 4.9552 4.9552 4.9552 5.1153 5.1153 5.1153 5.1153 5.4040 5.4040 5.4040 5.4040 10.2854 10.2854 10.2854 10.2854 12.0041 12.0041 12.0041 12.0041 12.7481 12.7481 12.7481 12.7481 13.0359 13.0359 k = 0.5000-0.0000 0.4360 ( 6880 PWs) bands (ev): -19.1191 -19.1191 -19.1191 -19.1191 -12.5614 -12.5614 -12.5614 -12.5614 -10.8046 -10.8046 -10.8046 -10.8046 -10.5557 -10.5557 -10.5557 -10.5557 -5.7333 -5.7333 -5.7333 -5.7333 -3.8142 -3.8142 -3.8142 -3.8142 -3.7300 -3.7300 -3.7300 -3.7300 -2.1639 -2.1639 -2.1639 -2.1639 1.1825 1.1825 1.1825 1.1825 1.6656 1.6656 1.6656 1.6656 2.3869 2.3869 2.3869 2.3869 4.0894 4.0894 4.0894 4.0894 4.2260 4.2260 4.2260 4.2260 4.5629 4.5629 4.5629 4.5629 4.9552 4.9552 4.9552 4.9552 5.1153 5.1153 5.1153 5.1153 5.4040 5.4040 5.4040 5.4040 10.2854 10.2854 10.2854 10.2854 12.0041 12.0041 12.0041 12.0041 12.7481 12.7481 12.7481 12.7481 13.0359 13.0359 k = 0.5000-0.0000 0.4179 ( 6886 PWs) bands (ev): -19.1191 -19.1191 -19.1191 -19.1191 -12.5614 -12.5614 -12.5613 -12.5613 -10.8046 -10.8046 -10.8045 -10.8045 -10.5560 -10.5560 -10.5558 -10.5558 -5.7340 -5.7340 -5.7326 -5.7326 -3.8160 -3.8160 -3.8126 -3.8126 -3.7303 -3.7303 -3.7296 -3.7296 -2.1644 -2.1644 -2.1631 -2.1631 1.1810 1.1810 1.1840 1.1840 1.6648 1.6648 1.6664 1.6664 2.3871 2.3871 2.3881 2.3881 4.0893 4.0893 4.0903 4.0903 4.2248 4.2248 4.2265 4.2265 4.5626 4.5626 4.5637 4.5637 4.9536 4.9536 4.9544 4.9544 5.1145 5.1145 5.1157 5.1157 5.4039 5.4039 5.4046 5.4046 10.2859 10.2859 10.2864 10.2864 12.0041 12.0041 12.0049 12.0049 12.7473 12.7473 12.7485 12.7485 13.0318 13.0329 k = 0.5000-0.0000 0.3997 ( 6878 PWs) bands (ev): -19.1191 -19.1191 -19.1191 -19.1191 -12.5611 -12.5611 -12.5610 -12.5610 -10.8045 -10.8045 -10.8045 -10.8045 -10.5567 -10.5567 -10.5563 -10.5563 -5.7346 -5.7346 -5.7319 -5.7319 -3.8180 -3.8180 -3.8111 -3.8111 -3.7306 -3.7306 -3.7291 -3.7291 -2.1647 -2.1647 -2.1622 -2.1622 1.1793 1.1793 1.1854 1.1854 1.6638 1.6638 1.6671 1.6671 2.3888 2.3888 2.3908 2.3908 4.0899 4.0899 4.0919 4.0919 4.2230 4.2230 4.2263 4.2263 4.5629 4.5629 4.5651 4.5651 4.9497 4.9497 4.9514 4.9514 5.1134 5.1134 5.1156 5.1156 5.4041 5.4041 5.4055 5.4055 10.2880 10.2880 10.2888 10.2888 12.0048 12.0048 12.0065 12.0065 12.7461 12.7461 12.7484 12.7484 13.0242 13.0243 k = 0.5000-0.0000 0.3815 ( 6880 PWs) bands (ev): -19.1192 -19.1192 -19.1192 -19.1192 -12.5606 -12.5606 -12.5604 -12.5604 -10.8043 -10.8043 -10.8043 -10.8043 -10.5578 -10.5578 -10.5572 -10.5572 -5.7351 -5.7351 -5.7311 -5.7311 -3.8200 -3.8200 -3.8098 -3.8098 -3.7308 -3.7308 -3.7286 -3.7286 -2.1648 -2.1648 -2.1611 -2.1611 1.1777 1.1777 1.1867 1.1867 1.6628 1.6628 1.6676 1.6676 2.3920 2.3920 2.3949 2.3949 4.0913 4.0913 4.0942 4.0942 4.2206 4.2206 4.2255 4.2255 4.5636 4.5636 4.5670 4.5670 4.9435 4.9435 4.9463 4.9463 5.1120 5.1120 5.1152 5.1152 5.4047 5.4047 5.4066 5.4066 10.2914 10.2914 10.2927 10.2927 12.0063 12.0063 12.0089 12.0089 12.7445 12.7445 12.7480 12.7480 13.0134 13.0134 k = 0.5000-0.0000 0.3634 ( 6872 PWs) bands (ev): -19.1192 -19.1192 -19.1192 -19.1192 -12.5600 -12.5600 -12.5597 -12.5597 -10.8041 -10.8041 -10.8041 -10.8041 -10.5592 -10.5592 -10.5584 -10.5584 -5.7356 -5.7356 -5.7304 -5.7304 -3.8221 -3.8221 -3.8089 -3.8089 -3.7309 -3.7309 -3.7281 -3.7281 -2.1647 -2.1647 -2.1598 -2.1598 1.1761 1.1761 1.1877 1.1877 1.6618 1.6618 1.6680 1.6680 2.3966 2.3966 2.4004 2.4004 4.0934 4.0934 4.0973 4.0973 4.2176 4.2176 4.2241 4.2241 4.5648 4.5648 4.5694 4.5694 4.9351 4.9351 4.9390 4.9390 5.1104 5.1104 5.1144 5.1144 5.4055 5.4055 5.4080 5.4080 10.2964 10.2964 10.2981 10.2981 12.0085 12.0085 12.0118 12.0118 12.7425 12.7425 12.7471 12.7471 12.9995 12.9995 k = 0.5000-0.0000 0.3452 ( 6872 PWs) bands (ev): -19.1192 -19.1192 -19.1192 -19.1192 -12.5591 -12.5591 -12.5588 -12.5588 -10.8039 -10.8039 -10.8038 -10.8038 -10.5609 -10.5609 -10.5600 -10.5600 -5.7360 -5.7360 -5.7296 -5.7296 -3.8241 -3.8241 -3.8082 -3.8082 -3.7309 -3.7309 -3.7276 -3.7276 -2.1644 -2.1644 -2.1584 -2.1584 1.1746 1.1746 1.1887 1.1887 1.6607 1.6607 1.6682 1.6682 2.4026 2.4026 2.4072 2.4072 4.0963 4.0963 4.1009 4.1009 4.2142 4.2142 4.2220 4.2220 4.5665 4.5665 4.5723 4.5723 4.9247 4.9247 4.9298 4.9298 5.1086 5.1086 5.1131 5.1131 5.4066 5.4066 5.4096 5.4096 10.3026 10.3026 10.3048 10.3048 12.0113 12.0113 12.0153 12.0153 12.7401 12.7401 12.7459 12.7459 12.9827 12.9827 k = 0.5000-0.0000 0.3270 ( 6888 PWs) bands (ev): -19.1192 -19.1192 -19.1192 -19.1192 -12.5581 -12.5581 -12.5577 -12.5577 -10.8036 -10.8036 -10.8035 -10.8035 -10.5629 -10.5629 -10.5619 -10.5619 -5.7363 -5.7363 -5.7288 -5.7288 -3.8262 -3.8262 -3.8077 -3.8077 -3.7308 -3.7308 -3.7271 -3.7271 -2.1638 -2.1638 -2.1569 -2.1569 1.1731 1.1731 1.1894 1.1894 1.6597 1.6597 1.6683 1.6683 2.4098 2.4098 2.4153 2.4153 4.0998 4.0998 4.1052 4.1052 4.2103 4.2103 4.2194 4.2194 4.5685 4.5685 4.5755 4.5755 4.9124 4.9124 4.9188 4.9188 5.1066 5.1066 5.1115 5.1115 5.4079 5.4079 5.4112 5.4112 10.3102 10.3102 10.3127 10.3127 12.0148 12.0148 12.0193 12.0193 12.7373 12.7373 12.7444 12.7444 12.9636 12.9637 k = 0.5000-0.0000 0.3089 ( 6888 PWs) bands (ev): -19.1193 -19.1193 -19.1193 -19.1193 -12.5569 -12.5569 -12.5565 -12.5565 -10.8032 -10.8032 -10.8032 -10.8032 -10.5653 -10.5653 -10.5640 -10.5640 -5.7365 -5.7365 -5.7281 -5.7281 -3.8281 -3.8281 -3.8076 -3.8076 -3.7306 -3.7306 -3.7266 -3.7266 -2.1630 -2.1630 -2.1553 -2.1553 1.1718 1.1718 1.1899 1.1899 1.6586 1.6586 1.6681 1.6681 2.4183 2.4183 2.4245 2.4245 4.1039 4.1039 4.1100 4.1100 4.2061 4.2061 4.2163 4.2163 4.5708 4.5708 4.5791 4.5791 4.8985 4.8985 4.9063 4.9063 5.1045 5.1045 5.1096 5.1096 5.4092 5.4092 5.4127 5.4127 10.3189 10.3189 10.3219 10.3219 12.0186 12.0186 12.0235 12.0235 12.7342 12.7342 12.7426 12.7426 12.9426 12.9426 k = 0.5000-0.0000 0.2907 ( 6892 PWs) bands (ev): -19.1193 -19.1193 -19.1193 -19.1193 -12.5556 -12.5556 -12.5551 -12.5551 -10.8028 -10.8028 -10.8028 -10.8028 -10.5678 -10.5678 -10.5665 -10.5665 -5.7366 -5.7366 -5.7275 -5.7275 -3.8299 -3.8299 -3.8077 -3.8077 -3.7304 -3.7304 -3.7262 -3.7262 -2.1621 -2.1621 -2.1536 -2.1536 1.1705 1.1705 1.1902 1.1902 1.6575 1.6575 1.6677 1.6677 2.4279 2.4279 2.4346 2.4346 4.1087 4.1087 4.1153 4.1153 4.2018 4.2018 4.2128 4.2128 4.5734 4.5734 4.5829 4.5829 4.8832 4.8832 4.8925 4.8925 5.1023 5.1023 5.1075 5.1075 5.4105 5.4105 5.4142 5.4142 10.3288 10.3288 10.3322 10.3322 12.0228 12.0228 12.0279 12.0279 12.7308 12.7308 12.7406 12.7406 12.9203 12.9203 k = 0.5000-0.0000 0.2725 ( 6896 PWs) bands (ev): -19.1194 -19.1194 -19.1194 -19.1194 -12.5542 -12.5542 -12.5537 -12.5537 -10.8024 -10.8024 -10.8023 -10.8023 -10.5706 -10.5706 -10.5691 -10.5691 -5.7366 -5.7366 -5.7269 -5.7269 -3.8316 -3.8316 -3.8082 -3.8082 -3.7301 -3.7301 -3.7257 -3.7257 -2.1609 -2.1609 -2.1519 -2.1519 1.1695 1.1695 1.1903 1.1903 1.6564 1.6564 1.6671 1.6671 2.4384 2.4384 2.4457 2.4457 4.1139 4.1139 4.1209 4.1209 4.1973 4.1973 4.2090 4.2090 4.5760 4.5760 4.5869 4.5869 4.8667 4.8667 4.8776 4.8776 5.1001 5.1001 5.1052 5.1052 5.4117 5.4117 5.4154 5.4154 10.3397 10.3397 10.3434 10.3434 12.0272 12.0272 12.0323 12.0323 12.7269 12.7269 12.7382 12.7382 12.8972 12.8972 k = 0.5000-0.0000 0.2543 ( 6898 PWs) bands (ev): -19.1194 -19.1194 -19.1194 -19.1194 -12.5527 -12.5527 -12.5521 -12.5521 -10.8019 -10.8019 -10.8019 -10.8019 -10.5735 -10.5735 -10.5720 -10.5720 -5.7364 -5.7364 -5.7263 -5.7263 -3.8331 -3.8331 -3.8088 -3.8088 -3.7297 -3.7297 -3.7254 -3.7254 -2.1596 -2.1596 -2.1502 -2.1502 1.1686 1.1686 1.1902 1.1902 1.6554 1.6554 1.6663 1.6663 2.4497 2.4497 2.4574 2.4574 4.1196 4.1196 4.1267 4.1267 4.1930 4.1930 4.2051 4.2051 4.5787 4.5787 4.5908 4.5908 4.8495 4.8495 4.8618 4.8618 5.0979 5.0979 5.1028 5.1028 5.4128 5.4128 5.4165 5.4165 10.3513 10.3513 10.3554 10.3554 12.0316 12.0316 12.0365 12.0365 12.7225 12.7225 12.7356 12.7356 12.8742 12.8742 k = 0.5000-0.0000 0.2362 ( 6896 PWs) bands (ev): -19.1195 -19.1195 -19.1194 -19.1194 -12.5511 -12.5511 -12.5505 -12.5505 -10.8014 -10.8014 -10.8013 -10.8013 -10.5765 -10.5765 -10.5750 -10.5750 -5.7362 -5.7362 -5.7258 -5.7258 -3.8345 -3.8345 -3.8097 -3.8097 -3.7293 -3.7293 -3.7250 -3.7250 -2.1581 -2.1581 -2.1486 -2.1486 1.1679 1.1679 1.1899 1.1899 1.6544 1.6544 1.6653 1.6653 2.4617 2.4617 2.4696 2.4696 4.1255 4.1255 4.1324 4.1324 4.1890 4.1890 4.2011 4.2011 4.5812 4.5812 4.5946 4.5946 4.8317 4.8317 4.8456 4.8456 5.0958 5.0958 5.1003 5.1003 5.4137 5.4137 5.4173 5.4173 10.3637 10.3637 10.3680 10.3680 12.0359 12.0359 12.0403 12.0403 12.7175 12.7175 12.7325 12.7325 12.8520 12.8520 k = 0.5000-0.0000 0.2180 ( 6896 PWs) bands (ev): -19.1195 -19.1195 -19.1195 -19.1195 -12.5495 -12.5495 -12.5489 -12.5489 -10.8009 -10.8009 -10.8008 -10.8008 -10.5796 -10.5796 -10.5780 -10.5780 -5.7360 -5.7360 -5.7255 -5.7255 -3.8356 -3.8356 -3.8109 -3.8109 -3.7289 -3.7289 -3.7248 -3.7248 -2.1565 -2.1565 -2.1469 -2.1469 1.1674 1.1674 1.1894 1.1894 1.6534 1.6534 1.6641 1.6641 2.4741 2.4741 2.4822 2.4822 4.1315 4.1315 4.1378 4.1378 4.1858 4.1858 4.1973 4.1973 4.5833 4.5833 4.5980 4.5980 4.8139 4.8139 4.8292 4.8292 5.0937 5.0937 5.0979 5.0979 5.4143 5.4143 5.4178 5.4178 10.3766 10.3766 10.3811 10.3811 12.0399 12.0399 12.0436 12.0436 12.7117 12.7117 12.7290 12.7290 12.8313 12.8313 k = 0.5000-0.0000 0.1998 ( 6894 PWs) bands (ev): -19.1195 -19.1195 -19.1195 -19.1195 -12.5479 -12.5479 -12.5473 -12.5473 -10.8003 -10.8003 -10.8003 -10.8003 -10.5826 -10.5826 -10.5811 -10.5811 -5.7356 -5.7356 -5.7252 -5.7252 -3.8365 -3.8365 -3.8122 -3.8122 -3.7284 -3.7284 -3.7246 -3.7246 -2.1549 -2.1549 -2.1454 -2.1454 1.1671 1.1671 1.1888 1.1888 1.6524 1.6524 1.6629 1.6629 2.4868 2.4868 2.4949 2.4949 4.1373 4.1373 4.1424 4.1424 4.1837 4.1837 4.1939 4.1939 4.5850 4.5850 4.6007 4.6007 4.7964 4.7964 4.8130 4.8130 5.0917 5.0917 5.0956 5.0956 5.4147 5.4147 5.4180 5.4180 10.3897 10.3897 10.3944 10.3944 12.0434 12.0434 12.0462 12.0462 12.7050 12.7050 12.7249 12.7249 12.8127 12.8127 k = 0.5000-0.0000 0.1817 ( 6894 PWs) bands (ev): -19.1196 -19.1196 -19.1196 -19.1196 -12.5463 -12.5463 -12.5458 -12.5458 -10.7998 -10.7998 -10.7997 -10.7997 -10.5857 -10.5857 -10.5842 -10.5842 -5.7351 -5.7351 -5.7250 -5.7250 -3.8372 -3.8372 -3.8136 -3.8136 -3.7280 -3.7280 -3.7244 -3.7244 -2.1532 -2.1532 -2.1439 -2.1439 1.1670 1.1670 1.1880 1.1880 1.6515 1.6515 1.6615 1.6615 2.4996 2.4996 2.5074 2.5074 4.1425 4.1425 4.1455 4.1455 4.1835 4.1835 4.1914 4.1914 4.5860 4.5860 4.6026 4.6026 4.7798 4.7798 4.7973 4.7973 5.0898 5.0898 5.0933 5.0933 5.4148 5.4148 5.4179 5.4179 10.4030 10.4030 10.4078 10.4078 12.0463 12.0463 12.0481 12.0481 12.6974 12.6974 12.7200 12.7200 12.7968 12.7968 k = 0.5000-0.0000 0.1635 ( 6896 PWs) bands (ev): -19.1196 -19.1196 -19.1196 -19.1196 -12.5448 -12.5448 -12.5442 -12.5442 -10.7992 -10.7992 -10.7992 -10.7992 -10.5886 -10.5886 -10.5872 -10.5872 -5.7346 -5.7346 -5.7249 -5.7249 -3.8376 -3.8376 -3.8152 -3.8152 -3.7276 -3.7276 -3.7243 -3.7243 -2.1514 -2.1514 -2.1426 -2.1426 1.1671 1.1671 1.1870 1.1870 1.6506 1.6506 1.6600 1.6600 2.5121 2.5121 2.5197 2.5197 4.1466 4.1466 4.1468 4.1468 4.1854 4.1854 4.1903 4.1903 4.5861 4.5861 4.6032 4.6032 4.7645 4.7645 4.7826 4.7826 5.0881 5.0881 5.0912 5.0912 5.4148 5.4148 5.4176 5.4176 10.4161 10.4161 10.4209 10.4209 12.0484 12.0484 12.0491 12.0491 12.6892 12.6892 12.7142 12.7142 12.7834 12.7834 k = 0.5000-0.0000 0.1453 ( 6892 PWs) bands (ev): -19.1197 -19.1197 -19.1197 -19.1197 -12.5433 -12.5433 -12.5428 -12.5428 -10.7987 -10.7987 -10.7986 -10.7986 -10.5914 -10.5914 -10.5900 -10.5900 -5.7339 -5.7339 -5.7249 -5.7249 -3.8378 -3.8378 -3.8169 -3.8169 -3.7272 -3.7272 -3.7242 -3.7242 -2.1497 -2.1497 -2.1414 -2.1414 1.1674 1.1674 1.1860 1.1860 1.6499 1.6499 1.6585 1.6585 2.5242 2.5242 2.5313 2.5313 4.1464 4.1464 4.1491 4.1491 4.1892 4.1892 4.1910 4.1910 4.5852 4.5852 4.6023 4.6023 4.7512 4.7512 4.7693 4.7693 5.0866 5.0866 5.0893 5.0893 5.4145 5.4145 5.4170 5.4170 10.4288 10.4288 10.4335 10.4335 12.0494 12.0494 12.0498 12.0498 12.6808 12.6808 12.7075 12.7075 12.7724 12.7724 k = 0.5000-0.0000 0.1272 ( 6900 PWs) bands (ev): -19.1197 -19.1197 -19.1197 -19.1197 -12.5419 -12.5419 -12.5415 -12.5415 -10.7982 -10.7982 -10.7981 -10.7981 -10.5940 -10.5940 -10.5927 -10.5927 -5.7333 -5.7333 -5.7250 -5.7250 -3.8377 -3.8377 -3.8187 -3.8187 -3.7268 -3.7268 -3.7242 -3.7242 -2.1479 -2.1479 -2.1404 -2.1404 1.1679 1.1679 1.1848 1.1848 1.6492 1.6492 1.6570 1.6570 2.5357 2.5357 2.5422 2.5422 4.1452 4.1452 4.1498 4.1498 4.1936 4.1936 4.1941 4.1941 4.5833 4.5833 4.5997 4.5997 4.7402 4.7402 4.7576 4.7576 5.0852 5.0852 5.0875 5.0875 5.4141 5.4141 5.4164 5.4164 10.4409 10.4409 10.4454 10.4454 12.0490 12.0490 12.0504 12.0504 12.6729 12.6729 12.7000 12.7000 12.7632 12.7632 k = 0.5000-0.0000 0.1090 ( 6898 PWs) bands (ev): -19.1198 -19.1198 -19.1197 -19.1197 -12.5407 -12.5407 -12.5403 -12.5403 -10.7977 -10.7977 -10.7977 -10.7977 -10.5963 -10.5963 -10.5952 -10.5952 -5.7326 -5.7326 -5.7252 -5.7252 -3.8374 -3.8374 -3.8206 -3.8206 -3.7265 -3.7265 -3.7242 -3.7242 -2.1463 -2.1463 -2.1396 -2.1396 1.1685 1.1685 1.1835 1.1835 1.6487 1.6487 1.6555 1.6555 2.5462 2.5462 2.5521 2.5521 4.1435 4.1435 4.1490 4.1490 4.1976 4.1976 4.1995 4.1995 4.5804 4.5804 4.5954 4.5954 4.7317 4.7317 4.7477 4.7477 5.0841 5.0841 5.0860 5.0860 5.4137 5.4137 5.4156 5.4156 10.4522 10.4522 10.4563 10.4563 12.0481 12.0481 12.0502 12.0502 12.6662 12.6662 12.6922 12.6922 12.7552 12.7552 k = 0.5000-0.0000 0.0908 ( 6910 PWs) bands (ev): -19.1198 -19.1198 -19.1198 -19.1198 -12.5396 -12.5396 -12.5392 -12.5392 -10.7973 -10.7973 -10.7972 -10.7972 -10.5983 -10.5983 -10.5974 -10.5974 -5.7318 -5.7318 -5.7255 -5.7255 -3.8369 -3.8369 -3.8224 -3.8224 -3.7262 -3.7262 -3.7242 -3.7242 -2.1447 -2.1447 -2.1390 -2.1390 1.1694 1.1694 1.1822 1.1822 1.6483 1.6483 1.6541 1.6541 2.5557 2.5557 2.5607 2.5607 4.1419 4.1419 4.1475 4.1475 4.2024 4.2024 4.2048 4.2048 4.5769 4.5769 4.5899 4.5899 4.7258 4.7258 4.7397 4.7397 5.0831 5.0831 5.0847 5.0847 5.4131 5.4131 5.4147 5.4147 10.4623 10.4623 10.4660 10.4660 12.0468 12.0468 12.0494 12.0494 12.6610 12.6610 12.6847 12.6847 12.7478 12.7478 k = 0.5000-0.0000 0.0727 ( 6906 PWs) bands (ev): -19.1198 -19.1198 -19.1198 -19.1198 -12.5386 -12.5386 -12.5383 -12.5383 -10.7969 -10.7969 -10.7969 -10.7969 -10.6000 -10.6000 -10.5992 -10.5992 -5.7311 -5.7311 -5.7259 -5.7259 -3.8361 -3.8361 -3.8243 -3.8243 -3.7259 -3.7259 -3.7243 -3.7243 -2.1433 -2.1433 -2.1386 -2.1386 1.1703 1.1703 1.1808 1.1808 1.6481 1.6481 1.6528 1.6528 2.5639 2.5639 2.5680 2.5680 4.1406 4.1406 4.1455 4.1455 4.2072 4.2072 4.2096 4.2096 4.5731 4.5731 4.5838 4.5838 4.7220 4.7220 4.7333 4.7333 5.0823 5.0823 5.0836 5.0836 5.4127 5.4127 5.4139 5.4139 10.4710 10.4710 10.4741 10.4741 12.0454 12.0454 12.0482 12.0482 12.6575 12.6575 12.6779 12.6779 12.7403 12.7403 k = 0.5000-0.0000 0.0545 ( 6908 PWs) bands (ev): -19.1198 -19.1198 -19.1198 -19.1198 -12.5379 -12.5379 -12.5376 -12.5376 -10.7966 -10.7966 -10.7966 -10.7966 -10.6014 -10.6014 -10.6008 -10.6008 -5.7303 -5.7303 -5.7263 -5.7263 -3.8351 -3.8351 -3.8261 -3.8261 -3.7256 -3.7256 -3.7244 -3.7244 -2.1420 -2.1420 -2.1384 -2.1384 1.1714 1.1714 1.1794 1.1794 1.6481 1.6481 1.6516 1.6516 2.5705 2.5705 2.5737 2.5737 4.1396 4.1396 4.1436 4.1436 4.2116 4.2116 4.2137 4.2137 4.5697 4.5697 4.5777 4.5777 4.7199 4.7199 4.7285 4.7285 5.0818 5.0818 5.0827 5.0827 5.4122 5.4122 5.4132 5.4132 10.4782 10.4782 10.4806 10.4806 12.0443 12.0443 12.0467 12.0467 12.6558 12.6558 12.6721 12.6721 12.7329 12.7329 k = 0.5000-0.0000 0.0363 ( 6904 PWs) bands (ev): -19.1198 -19.1198 -19.1198 -19.1198 -12.5373 -12.5373 -12.5372 -12.5372 -10.7964 -10.7964 -10.7964 -10.7964 -10.6023 -10.6023 -10.6019 -10.6019 -5.7296 -5.7296 -5.7269 -5.7269 -3.8340 -3.8340 -3.8279 -3.8279 -3.7253 -3.7253 -3.7245 -3.7245 -2.1409 -2.1409 -2.1384 -2.1384 1.1726 1.1726 1.1780 1.1780 1.6482 1.6482 1.6506 1.6506 2.5755 2.5755 2.5777 2.5777 4.1391 4.1391 4.1419 4.1419 4.2152 4.2152 4.2166 4.2166 4.5671 4.5671 4.5725 4.5725 4.7191 4.7191 4.7248 4.7248 5.0814 5.0814 5.0820 5.0820 5.4120 5.4120 5.4126 5.4126 10.4836 10.4836 10.4853 10.4853 12.0434 12.0434 12.0453 12.0453 12.6559 12.6559 12.6672 12.6672 12.7274 12.7280 k = 0.5000-0.0000 0.0182 ( 6908 PWs) bands (ev): -19.1199 -19.1199 -19.1199 -19.1199 -12.5370 -12.5370 -12.5369 -12.5369 -10.7962 -10.7962 -10.7962 -10.7962 -10.6028 -10.6028 -10.6026 -10.6026 -5.7288 -5.7288 -5.7275 -5.7275 -3.8327 -3.8327 -3.8296 -3.8296 -3.7251 -3.7251 -3.7247 -3.7247 -2.1400 -2.1400 -2.1387 -2.1387 1.1738 1.1738 1.1766 1.1766 1.6485 1.6485 1.6497 1.6497 2.5788 2.5788 2.5799 2.5799 4.1391 4.1391 4.1405 4.1405 4.2176 4.2176 4.2184 4.2184 4.5659 4.5659 4.5686 4.5686 4.7193 4.7193 4.7222 4.7222 5.0812 5.0812 5.0815 5.0815 5.4118 5.4118 5.4122 5.4122 10.4870 10.4870 10.4879 10.4879 12.0431 12.0431 12.0441 12.0441 12.6573 12.6573 12.6631 12.6631 12.7242 12.7242 k = 0.5000-0.0000-0.0000 ( 6920 PWs) bands (ev): -19.1199 -19.1199 -19.1199 -19.1199 -12.5368 -12.5368 -12.5368 -12.5368 -10.7962 -10.7962 -10.7962 -10.7962 -10.6029 -10.6029 -10.6029 -10.6029 -5.7281 -5.7281 -5.7281 -5.7281 -3.8312 -3.8312 -3.8312 -3.8312 -3.7249 -3.7249 -3.7249 -3.7249 -2.1392 -2.1392 -2.1392 -2.1392 1.1752 1.1752 1.1752 1.1752 1.6490 1.6490 1.6490 1.6490 2.5803 2.5803 2.5803 2.5803 4.1396 4.1396 4.1396 4.1396 4.2187 4.2187 4.2187 4.2187 4.5663 4.5663 4.5663 4.5663 4.7204 4.7204 4.7204 4.7204 5.0813 5.0813 5.0813 5.0813 5.4119 5.4119 5.4119 5.4119 10.4885 10.4885 10.4885 10.4885 12.0434 12.0434 12.0434 12.0434 12.6598 12.6598 12.6598 12.6598 12.7236 12.7236 k = 0.0000 0.0000 0.4360 ( 6922 PWs) bands (ev): -19.1419 -19.1419 -19.1005 -19.1005 -12.5963 -12.5963 -12.4692 -12.4692 -10.8750 -10.8750 -10.7494 -10.7494 -10.5848 -10.5848 -10.5719 -10.5719 -5.7386 -5.7386 -5.6896 -5.6896 -3.8959 -3.8959 -3.6979 -3.6979 -3.6763 -3.6763 -3.6661 -3.6661 -2.5140 -2.5140 -2.1601 -2.1601 1.1388 1.1388 1.2790 1.2790 1.4704 1.4704 1.7192 1.7192 2.1277 2.1277 2.7428 2.7428 3.8405 3.8405 4.1074 4.1074 4.3329 4.3329 4.5648 4.5648 4.6547 4.6547 4.8826 4.8826 4.9850 4.9850 5.0024 5.0024 5.0576 5.0576 5.1671 5.1671 5.1956 5.1956 5.4943 5.4943 9.5599 9.5599 10.5423 10.5423 11.3305 11.3305 11.7391 11.7391 12.0064 12.0064 12.6335 12.6335 12.7272 12.7272 k = 0.0185-0.0000 0.4360 ( 6920 PWs) bands (ev): -19.1418 -19.1418 -19.1005 -19.1005 -12.5963 -12.5963 -12.4694 -12.4694 -10.8748 -10.8748 -10.7495 -10.7495 -10.5847 -10.5847 -10.5718 -10.5718 -5.7387 -5.7387 -5.6897 -5.6897 -3.8958 -3.8958 -3.6982 -3.6982 -3.6768 -3.6768 -3.6660 -3.6660 -2.5132 -2.5132 -2.1597 -2.1597 1.1395 1.1395 1.2788 1.2788 1.4705 1.4705 1.7183 1.7183 2.1274 2.1274 2.7436 2.7436 3.8416 3.8416 4.1059 4.1059 4.3339 4.3339 4.5647 4.5647 4.6544 4.6544 4.8839 4.8839 4.9787 4.9787 5.0060 5.0060 5.0561 5.0561 5.1665 5.1665 5.1959 5.1959 5.4949 5.4949 9.5599 9.5599 10.5466 10.5466 11.3322 11.3322 11.7405 11.7405 12.0068 12.0068 12.6317 12.6317 12.7232 12.7232 k = 0.0370-0.0000 0.4360 ( 6912 PWs) bands (ev): -19.1417 -19.1417 -19.1006 -19.1006 -12.5962 -12.5962 -12.4700 -12.4700 -10.8744 -10.8744 -10.7498 -10.7498 -10.5845 -10.5845 -10.5715 -10.5715 -5.7388 -5.7388 -5.6900 -5.6900 -3.8954 -3.8954 -3.6989 -3.6989 -3.6782 -3.6782 -3.6660 -3.6660 -2.5106 -2.5106 -2.1585 -2.1585 1.1414 1.1414 1.2779 1.2779 1.4710 1.4710 1.7155 1.7155 2.1267 2.1267 2.7462 2.7462 3.8449 3.8449 4.1017 4.1017 4.3366 4.3366 4.5642 4.5642 4.6534 4.6534 4.8877 4.8877 4.9657 4.9657 5.0111 5.0111 5.0518 5.0518 5.1649 5.1649 5.1966 5.1966 5.4964 5.4964 9.5603 9.5603 10.5595 10.5595 11.3373 11.3373 11.7450 11.7450 12.0080 12.0080 12.6250 12.6250 12.7136 12.7136 k = 0.0556-0.0000 0.4360 ( 6906 PWs) bands (ev): -19.1415 -19.1415 -19.1007 -19.1007 -12.5962 -12.5962 -12.4711 -12.4711 -10.8737 -10.8737 -10.7503 -10.7503 -10.5842 -10.5842 -10.5710 -10.5710 -5.7390 -5.7390 -5.6904 -5.6904 -3.8948 -3.8948 -3.7002 -3.7002 -3.6803 -3.6803 -3.6660 -3.6660 -2.5064 -2.5064 -2.1565 -2.1565 1.1445 1.1445 1.2765 1.2765 1.4719 1.4719 1.7111 1.7111 2.1255 2.1255 2.7502 2.7502 3.8504 3.8504 4.0953 4.0953 4.3403 4.3403 4.5634 4.5634 4.6524 4.6524 4.8931 4.8931 4.9492 4.9492 5.0143 5.0143 5.0451 5.0451 5.1629 5.1629 5.1975 5.1975 5.4988 5.4988 9.5610 9.5610 10.5807 10.5807 11.3452 11.3452 11.7523 11.7523 12.0100 12.0100 12.6100 12.6100 12.7042 12.7042 k = 0.0741-0.0000 0.4360 ( 6908 PWs) bands (ev): -19.1412 -19.1412 -19.1009 -19.1009 -12.5961 -12.5961 -12.4725 -12.4725 -10.8727 -10.8727 -10.7511 -10.7511 -10.5837 -10.5837 -10.5703 -10.5703 -5.7392 -5.7392 -5.6911 -5.6911 -3.8940 -3.8940 -3.7020 -3.7020 -3.6828 -3.6828 -3.6664 -3.6664 -2.5005 -2.5005 -2.1539 -2.1539 1.1486 1.1486 1.2747 1.2747 1.4734 1.4734 1.7051 1.7051 2.1238 2.1238 2.7556 2.7556 3.8580 3.8580 4.0871 4.0871 4.3439 4.3439 4.5624 4.5624 4.6523 4.6523 4.8992 4.8992 4.9299 4.9299 5.0151 5.0151 5.0367 5.0367 5.1611 5.1611 5.1984 5.1984 5.5018 5.5018 9.5624 9.5624 10.6097 10.6097 11.3554 11.3554 11.7626 11.7626 12.0125 12.0125 12.5849 12.5849 12.7001 12.7001 k = 0.0926-0.0000 0.4360 ( 6908 PWs) bands (ev): -19.1408 -19.1408 -19.1012 -19.1012 -12.5960 -12.5960 -12.4743 -12.4743 -10.8714 -10.8714 -10.7520 -10.7520 -10.5831 -10.5831 -10.5694 -10.5694 -5.7395 -5.7395 -5.6920 -5.6920 -3.8930 -3.8930 -3.7043 -3.7043 -3.6858 -3.6858 -3.6671 -3.6671 -2.4931 -2.4931 -2.1506 -2.1506 1.1534 1.1534 1.2724 1.2724 1.4757 1.4757 1.6980 1.6980 2.1215 2.1215 2.7620 2.7620 3.8676 3.8676 4.0777 4.0777 4.3464 4.3464 4.5610 4.5610 4.6540 4.6540 4.9024 4.9024 4.9098 4.9098 5.0136 5.0136 5.0277 5.0277 5.1599 5.1599 5.1992 5.1992 5.5052 5.5052 9.5648 9.5648 10.6461 10.6461 11.3668 11.3668 11.7759 11.7759 12.0155 12.0155 12.5522 12.5522 12.7018 12.7018 k = 0.1111-0.0000 0.4360 ( 6910 PWs) bands (ev): -19.1404 -19.1404 -19.1015 -19.1015 -12.5958 -12.5958 -12.4765 -12.4765 -10.8699 -10.8699 -10.7531 -10.7531 -10.5824 -10.5824 -10.5684 -10.5684 -5.7398 -5.7398 -5.6930 -5.6930 -3.8917 -3.8917 -3.7069 -3.7069 -3.6890 -3.6890 -3.6682 -3.6682 -2.4842 -2.4842 -2.1468 -2.1468 1.1587 1.1587 1.2698 1.2698 1.4792 1.4792 1.6899 1.6899 2.1185 2.1185 2.7691 2.7691 3.8792 3.8792 4.0678 4.0678 4.3468 4.3468 4.5592 4.5592 4.6584 4.6584 4.8818 4.8818 4.9080 4.9080 5.0102 5.0102 5.0200 5.0200 5.1597 5.1597 5.1999 5.1999 5.5087 5.5087 9.5685 9.5685 10.6892 10.6892 11.3780 11.3780 11.7921 11.7921 12.0188 12.0188 12.5164 12.5164 12.7077 12.7077 k = 0.1296-0.0000 0.4360 ( 6908 PWs) bands (ev): -19.1398 -19.1398 -19.1018 -19.1018 -12.5956 -12.5956 -12.4790 -12.4790 -10.8681 -10.8681 -10.7544 -10.7544 -10.5816 -10.5816 -10.5672 -10.5672 -5.7401 -5.7401 -5.6942 -5.6942 -3.8903 -3.8903 -3.7100 -3.7100 -3.6924 -3.6924 -3.6698 -3.6698 -2.4739 -2.4739 -2.1426 -2.1426 1.1640 1.1640 1.2669 1.2669 1.4841 1.4841 1.6813 1.6813 2.1149 2.1149 2.7763 2.7763 3.8925 3.8925 4.0577 4.0577 4.3443 4.3443 4.5569 4.5569 4.6661 4.6661 4.8546 4.8546 4.9054 4.9054 5.0044 5.0044 5.0165 5.0165 5.1604 5.1604 5.2006 5.2006 5.5119 5.5119 9.5739 9.5739 10.7383 10.7383 11.3871 11.3871 11.8113 11.8113 12.0227 12.0227 12.4815 12.4815 12.7168 12.7168 k = 0.1481-0.0000 0.4360 ( 6912 PWs) bands (ev): -19.1393 -19.1393 -19.1023 -19.1023 -12.5953 -12.5953 -12.4819 -12.4819 -10.8661 -10.8661 -10.7559 -10.7559 -10.5807 -10.5807 -10.5660 -10.5660 -5.7405 -5.7405 -5.6956 -5.6956 -3.8886 -3.8886 -3.7134 -3.7134 -3.6961 -3.6961 -3.6717 -3.6717 -2.4623 -2.4623 -2.1380 -2.1380 1.1690 1.1690 1.2638 1.2638 1.4907 1.4907 1.6726 1.6726 2.1106 2.1106 2.7834 2.7834 3.9074 3.9074 4.0477 4.0477 4.3388 4.3388 4.5541 4.5541 4.6772 4.6772 4.8249 4.8249 4.8973 4.8973 4.9965 4.9965 5.0180 5.0180 5.1619 5.1619 5.2016 5.2016 5.5149 5.5149 9.5812 9.5812 10.7928 10.7928 11.3919 11.3919 11.8336 11.8336 12.0274 12.0274 12.4504 12.4504 12.7283 12.7283 k = 0.1667-0.0000 0.4360 ( 6902 PWs) bands (ev): -19.1386 -19.1386 -19.1027 -19.1027 -12.5949 -12.5949 -12.4851 -12.4851 -10.8639 -10.8639 -10.7575 -10.7575 -10.5796 -10.5796 -10.5647 -10.5647 -5.7409 -5.7409 -5.6971 -5.6971 -3.8866 -3.8866 -3.7171 -3.7171 -3.6999 -3.6999 -3.6740 -3.6740 -2.4495 -2.4495 -2.1333 -2.1333 1.1733 1.1733 1.2606 1.2606 1.4991 1.4991 1.6643 1.6643 2.1057 2.1057 2.7898 2.7898 3.9237 3.9237 4.0382 4.0382 4.3302 4.3302 4.5506 4.5506 4.6916 4.6916 4.7931 4.7931 4.8842 4.8842 4.9881 4.9881 5.0229 5.0229 5.1640 5.1640 5.2030 5.2030 5.5172 5.5172 9.5908 9.5908 10.8518 10.8518 11.3901 11.3901 11.8589 11.8589 12.0339 12.0339 12.4255 12.4255 12.7419 12.7419 k = 0.1852-0.0000 0.4360 ( 6896 PWs) bands (ev): -19.1378 -19.1378 -19.1033 -19.1033 -12.5944 -12.5944 -12.4885 -12.4885 -10.8614 -10.8614 -10.7593 -10.7593 -10.5784 -10.5784 -10.5634 -10.5634 -5.7412 -5.7412 -5.6987 -5.6987 -3.8845 -3.8845 -3.7210 -3.7210 -3.7039 -3.7039 -3.6766 -3.6766 -2.4356 -2.4356 -2.1286 -2.1286 1.1768 1.1768 1.2571 1.2571 1.5094 1.5094 1.6568 1.6568 2.1003 2.1003 2.7949 2.7949 3.9411 3.9411 4.0293 4.0293 4.3191 4.3191 4.5465 4.5465 4.7085 4.7085 4.7597 4.7597 4.8680 4.8680 4.9795 4.9795 5.0294 5.0294 5.1665 5.1665 5.2052 5.2052 5.5188 5.5188 9.6029 9.6029 10.9145 10.9145 11.3796 11.3796 11.8872 11.8872 12.0433 12.0433 12.4081 12.4081 12.7575 12.7575 k = 0.2037-0.0000 0.4360 ( 6894 PWs) bands (ev): -19.1370 -19.1370 -19.1038 -19.1038 -12.5939 -12.5939 -12.4922 -12.4922 -10.8588 -10.8588 -10.7612 -10.7612 -10.5772 -10.5772 -10.5621 -10.5621 -5.7416 -5.7416 -5.7005 -5.7005 -3.8821 -3.8821 -3.7249 -3.7249 -3.7081 -3.7081 -3.6795 -3.6795 -2.4209 -2.4209 -2.1241 -2.1241 1.1793 1.1793 1.2535 1.2535 1.5212 1.5212 1.6511 1.6511 2.0945 2.0945 2.7983 2.7983 3.9595 3.9595 4.0213 4.0213 4.3060 4.3060 4.5416 4.5416 4.7198 4.7198 4.7324 4.7324 4.8505 4.8505 4.9712 4.9712 5.0359 5.0359 5.1692 5.1692 5.2085 5.2085 5.5196 5.5196 9.6178 9.6178 10.9797 10.9797 11.3592 11.3592 11.9186 11.9186 12.0564 12.0564 12.3990 12.3990 12.7748 12.7748 k = 0.2222-0.0000 0.4360 ( 6892 PWs) bands (ev): -19.1362 -19.1362 -19.1045 -19.1045 -12.5932 -12.5932 -12.4962 -12.4962 -10.8560 -10.8560 -10.7632 -10.7632 -10.5759 -10.5759 -10.5608 -10.5608 -5.7419 -5.7419 -5.7024 -5.7024 -3.8795 -3.8795 -3.7291 -3.7291 -3.7123 -3.7123 -3.6825 -3.6825 -2.4053 -2.4053 -2.1198 -2.1198 1.1808 1.1808 1.2496 1.2496 1.5337 1.5337 1.6478 1.6478 2.0886 2.0886 2.7994 2.7994 3.9784 3.9784 4.0145 4.0145 4.2916 4.2916 4.5360 4.5360 4.6873 4.6873 4.7482 4.7482 4.8339 4.8339 4.9634 4.9634 5.0414 5.0414 5.1720 5.1720 5.2133 5.2133 5.5194 5.5194 9.6355 9.6355 11.0455 11.0455 11.3300 11.3300 11.9530 11.9530 12.0733 12.0733 12.3984 12.3984 12.7936 12.7936 k = 0.2407-0.0000 0.4360 ( 6896 PWs) bands (ev): -19.1353 -19.1353 -19.1052 -19.1052 -12.5924 -12.5924 -12.5003 -12.5003 -10.8530 -10.8530 -10.7653 -10.7653 -10.5745 -10.5745 -10.5596 -10.5596 -5.7421 -5.7421 -5.7043 -5.7043 -3.8767 -3.8767 -3.7333 -3.7333 -3.7165 -3.7165 -3.6858 -3.6858 -2.3890 -2.3890 -2.1159 -2.1159 1.1814 1.1814 1.2455 1.2455 1.5457 1.5457 1.6483 1.6483 2.0830 2.0830 2.7977 2.7977 3.9971 3.9971 4.0094 4.0094 4.2765 4.2765 4.5297 4.5297 4.6510 4.6510 4.7628 4.7628 4.8226 4.8226 4.9563 4.9563 5.0452 5.0452 5.1745 5.1745 5.2199 5.2199 5.5183 5.5183 9.6562 9.6562 11.1069 11.1069 11.2968 11.2968 11.9901 11.9901 12.0931 12.0931 12.4065 12.4065 12.8139 12.8139 k = 0.2593-0.0000 0.4360 ( 6896 PWs) bands (ev): -19.1343 -19.1343 -19.1059 -19.1059 -12.5914 -12.5914 -12.5046 -12.5046 -10.8499 -10.8499 -10.7675 -10.7675 -10.5730 -10.5730 -10.5584 -10.5584 -5.7423 -5.7423 -5.7064 -5.7064 -3.8737 -3.8737 -3.7378 -3.7378 -3.7205 -3.7205 -3.6891 -3.6891 -2.3722 -2.3722 -2.1126 -2.1126 1.1814 1.1814 1.2410 1.2410 1.5558 1.5558 1.6536 1.6536 2.0781 2.0781 2.7927 2.7927 4.0028 4.0028 4.0186 4.0186 4.2614 4.2614 4.5224 4.5224 4.6149 4.6149 4.7642 4.7642 4.8260 4.8260 4.9501 4.9501 5.0469 5.0469 5.1765 5.1765 5.2285 5.2285 5.5161 5.5161 9.6801 9.6801 11.1445 11.1445 11.2799 11.2799 12.0299 12.0299 12.1140 12.1140 12.4234 12.4234 12.8354 12.8354 k = 0.2778-0.0000 0.4360 ( 6898 PWs) bands (ev): -19.1333 -19.1333 -19.1067 -19.1067 -12.5903 -12.5903 -12.5090 -12.5090 -10.8466 -10.8466 -10.7698 -10.7698 -10.5715 -10.5715 -10.5574 -10.5574 -5.7424 -5.7424 -5.7085 -5.7085 -3.8704 -3.8704 -3.7424 -3.7424 -3.7242 -3.7242 -3.6926 -3.6926 -2.3549 -2.3549 -2.1100 -2.1100 1.1808 1.1808 1.2363 1.2363 1.5633 1.5633 1.6637 1.6637 2.0747 2.0747 2.7840 2.7840 4.0002 4.0002 4.0372 4.0372 4.2469 4.2469 4.5134 4.5134 4.5803 4.5803 4.7525 4.7525 4.8431 4.8431 4.9450 4.9450 5.0467 5.0467 5.1780 5.1780 5.2387 5.2387 5.5130 5.5130 9.7072 9.7072 11.1255 11.1255 11.3129 11.3129 12.0723 12.0723 12.1336 12.1336 12.4493 12.4493 12.8579 12.8579 k = 0.2963-0.0000 0.4360 ( 6896 PWs) bands (ev): -19.1322 -19.1322 -19.1075 -19.1075 -12.5890 -12.5890 -12.5136 -12.5136 -10.8433 -10.8433 -10.7722 -10.7722 -10.5700 -10.5700 -10.5564 -10.5564 -5.7424 -5.7424 -5.7107 -5.7107 -3.8670 -3.8670 -3.7475 -3.7475 -3.7275 -3.7275 -3.6961 -3.6961 -2.3374 -2.3374 -2.1082 -2.1082 1.1799 1.1799 1.2314 1.2314 1.5685 1.5685 1.6773 1.6773 2.0736 2.0736 2.7713 2.7713 3.9988 3.9988 4.0554 4.0554 4.2335 4.2335 4.5005 4.5005 4.5502 4.5502 4.7364 4.7364 4.8651 4.8651 4.9412 4.9412 5.0448 5.0448 5.1786 5.1786 5.2505 5.2505 5.5087 5.5087 9.7376 9.7376 11.0722 11.0722 11.3748 11.3748 12.1170 12.1170 12.1501 12.1501 12.4841 12.4841 12.8812 12.8812 k = 0.3148-0.0000 0.4360 ( 6898 PWs) bands (ev): -19.1311 -19.1311 -19.1084 -19.1084 -12.5876 -12.5876 -12.5181 -12.5181 -10.8399 -10.8399 -10.7747 -10.7747 -10.5684 -10.5684 -10.5556 -10.5556 -5.7422 -5.7422 -5.7129 -5.7129 -3.8633 -3.8633 -3.7528 -3.7528 -3.7303 -3.7303 -3.6996 -3.6996 -2.3198 -2.3198 -2.1074 -2.1074 1.1789 1.1789 1.2263 1.2263 1.5726 1.5726 1.6921 1.6921 2.0761 2.0761 2.7544 2.7544 3.9989 3.9989 4.0724 4.0724 4.2216 4.2216 4.4790 4.4790 4.5298 4.5298 4.7193 4.7193 4.8878 4.8878 4.9392 4.9392 5.0415 5.0415 5.1785 5.1785 5.2634 5.2634 5.5035 5.5035 9.7713 9.7713 11.0071 11.0071 11.4435 11.4435 12.1551 12.1551 12.1713 12.1713 12.5270 12.5270 12.9046 12.9046 k = 0.3333-0.0000 0.4360 ( 6896 PWs) bands (ev): -19.1300 -19.1300 -19.1093 -19.1093 -12.5859 -12.5859 -12.5228 -12.5228 -10.8364 -10.8364 -10.7774 -10.7774 -10.5669 -10.5669 -10.5549 -10.5549 -5.7420 -5.7420 -5.7152 -5.7152 -3.8593 -3.8593 -3.7585 -3.7585 -3.7325 -3.7325 -3.7032 -3.7032 -2.3022 -2.3022 -2.1076 -2.1076 1.1779 1.1779 1.2211 1.2211 1.5768 1.5768 1.7057 1.7057 2.0833 2.0833 2.7331 2.7331 4.0009 4.0009 4.0876 4.0876 4.2116 4.2116 4.4497 4.4497 4.5192 4.5192 4.7022 4.7022 4.9083 4.9083 4.9402 4.9402 5.0374 5.0374 5.1775 5.1775 5.2770 5.2770 5.4972 5.4972 9.8084 9.8084 10.9367 10.9367 11.5132 11.5132 12.1640 12.1640 12.2194 12.2194 12.5765 12.5765 12.9276 12.9276 k = 0.3519-0.0000 0.4360 ( 6894 PWs) bands (ev): -19.1288 -19.1288 -19.1102 -19.1102 -12.5840 -12.5840 -12.5274 -12.5274 -10.8328 -10.8328 -10.7800 -10.7800 -10.5654 -10.5654 -10.5544 -10.5544 -5.7416 -5.7416 -5.7174 -5.7174 -3.8552 -3.8552 -3.7644 -3.7644 -3.7341 -3.7341 -3.7067 -3.7067 -2.2847 -2.2847 -2.1089 -2.1089 1.1770 1.1770 1.2159 1.2159 1.5817 1.5817 1.7162 1.7162 2.0964 2.0964 2.7075 2.7075 4.0047 4.0047 4.1007 4.1007 4.2038 4.2038 4.4178 4.4178 4.5138 4.5138 4.6853 4.6853 4.9216 4.9216 4.9481 4.9481 5.0334 5.0334 5.1756 5.1756 5.2912 5.2912 5.4900 5.4900 9.8488 9.8488 10.8636 10.8636 11.5817 11.5817 12.1646 12.1646 12.2734 12.2734 12.6306 12.6306 12.9486 12.9486 k = 0.3704-0.0000 0.4360 ( 6892 PWs) bands (ev): -19.1277 -19.1277 -19.1112 -19.1112 -12.5820 -12.5820 -12.5320 -12.5320 -10.8293 -10.8293 -10.7828 -10.7828 -10.5639 -10.5639 -10.5540 -10.5540 -5.7411 -5.7411 -5.7196 -5.7196 -3.8508 -3.8508 -3.7706 -3.7706 -3.7352 -3.7352 -3.7101 -3.7101 -2.2675 -2.2675 -2.1114 -2.1114 1.1763 1.1763 1.2108 1.2108 1.5878 1.5878 1.7224 1.7224 2.1159 2.1159 2.6777 2.6777 4.0103 4.0103 4.1109 4.1109 4.1983 4.1983 4.3860 4.3860 4.5116 4.5116 4.6687 4.6687 4.9267 4.9267 4.9625 4.9625 5.0309 5.0309 5.1726 5.1726 5.3056 5.3056 5.4819 5.4819 9.8925 9.8925 10.7891 10.7891 11.6477 11.6477 12.1599 12.1599 12.3305 12.3305 12.6873 12.6873 12.9638 12.9638 k = 0.3889-0.0000 0.4360 ( 6892 PWs) bands (ev): -19.1265 -19.1265 -19.1123 -19.1123 -12.5797 -12.5797 -12.5366 -12.5366 -10.8257 -10.8257 -10.7857 -10.7857 -10.5625 -10.5625 -10.5537 -10.5537 -5.7404 -5.7404 -5.7218 -5.7218 -3.8462 -3.8462 -3.7768 -3.7768 -3.7358 -3.7358 -3.7134 -3.7134 -2.2506 -2.2506 -2.1152 -2.1152 1.1759 1.1759 1.2058 1.2058 1.5953 1.5953 1.7237 1.7237 2.1420 2.1420 2.6441 2.6441 4.0178 4.0178 4.1180 4.1180 4.1952 4.1952 4.3555 4.3555 4.5122 4.5122 4.6525 4.6525 4.9294 4.9294 4.9746 4.9746 5.0325 5.0325 5.1685 5.1685 5.3201 5.3201 5.4728 5.4728 9.9395 9.9395 10.7142 10.7142 11.7107 11.7107 12.1504 12.1504 12.3902 12.3902 12.7442 12.7442 12.9658 12.9658 k = 0.4074-0.0000 0.4360 ( 6888 PWs) bands (ev): -19.1252 -19.1252 -19.1134 -19.1134 -12.5772 -12.5772 -12.5410 -12.5410 -10.8221 -10.8221 -10.7886 -10.7886 -10.5611 -10.5611 -10.5537 -10.5537 -5.7396 -5.7396 -5.7239 -5.7239 -3.8414 -3.8414 -3.7832 -3.7832 -3.7359 -3.7359 -3.7166 -3.7166 -2.2342 -2.2342 -2.1202 -2.1202 1.1758 1.1758 1.2010 1.2010 1.6042 1.6042 1.7206 1.7206 2.1740 2.1740 2.6068 2.6068 4.0271 4.0271 4.1216 4.1216 4.1944 4.1944 4.3269 4.3269 4.5153 4.5153 4.6367 4.6367 4.9321 4.9321 4.9796 4.9796 5.0409 5.0409 5.1631 5.1631 5.3346 5.3346 5.4630 5.4630 9.9897 9.9897 10.6395 10.6395 11.7699 11.7699 12.1364 12.1364 12.4517 12.4517 12.7982 12.7982 12.9547 12.9547 k = 0.4259-0.0000 0.4360 ( 6890 PWs) bands (ev): -19.1240 -19.1240 -19.1145 -19.1145 -12.5745 -12.5745 -12.5454 -12.5454 -10.8185 -10.8185 -10.7917 -10.7917 -10.5598 -10.5598 -10.5538 -10.5538 -5.7386 -5.7386 -5.7260 -5.7260 -3.8364 -3.8364 -3.7895 -3.7895 -3.7355 -3.7355 -3.7197 -3.7197 -2.2185 -2.2185 -2.1264 -2.1264 1.1762 1.1762 1.1965 1.1965 1.6145 1.6145 1.7137 1.7137 2.2109 2.2109 2.5666 2.5666 4.0379 4.0379 4.1216 4.1216 4.1960 4.1960 4.3007 4.3007 4.5210 4.5210 4.6211 4.6211 4.9354 4.9354 4.9782 4.9782 5.0546 5.0546 5.1564 5.1564 5.3490 5.3490 5.4524 5.4524 10.0431 10.0431 10.5655 10.5655 11.8251 11.8251 12.1181 12.1181 12.5142 12.5142 12.8421 12.8421 12.9419 12.9419 k = 0.4444-0.0000 0.4360 ( 6882 PWs) bands (ev): -19.1228 -19.1228 -19.1156 -19.1156 -12.5715 -12.5715 -12.5496 -12.5496 -10.8150 -10.8150 -10.7948 -10.7948 -10.5587 -10.5587 -10.5540 -10.5540 -5.7375 -5.7375 -5.7280 -5.7280 -3.8312 -3.8312 -3.7958 -3.7958 -3.7347 -3.7347 -3.7226 -3.7226 -2.2035 -2.2035 -2.1340 -2.1340 1.1771 1.1771 1.1924 1.1924 1.6261 1.6261 1.7040 1.7040 2.2516 2.2516 2.5239 2.5239 4.0500 4.0500 4.1179 4.1179 4.1999 4.1999 4.2773 4.2773 4.5289 4.5289 4.6058 4.6058 4.9394 4.9394 4.9736 4.9736 5.0704 5.0704 5.1483 5.1483 5.3632 5.3632 5.4412 5.4412 10.0994 10.0994 10.4928 10.4928 11.8761 11.8761 12.0956 12.0956 12.5765 12.5765 12.8559 12.8559 12.9481 12.9481 k = 0.4630-0.0000 0.4360 ( 6882 PWs) bands (ev): -19.1216 -19.1216 -19.1168 -19.1168 -12.5684 -12.5684 -12.5537 -12.5537 -10.8115 -10.8115 -10.7980 -10.7980 -10.5576 -10.5576 -10.5545 -10.5545 -5.7363 -5.7363 -5.7299 -5.7299 -3.8257 -3.8257 -3.8021 -3.8021 -3.7334 -3.7334 -3.7253 -3.7253 -2.1893 -2.1893 -2.1427 -2.1427 1.1784 1.1784 1.1886 1.1886 1.6386 1.6386 1.6922 1.6922 2.2952 2.2952 2.4792 2.4792 4.0631 4.0631 4.1109 4.1109 4.2061 4.2061 4.2571 4.2571 4.5387 4.5387 4.5910 4.5910 4.9440 4.9440 4.9677 4.9677 5.0863 5.0863 5.1388 5.1388 5.3771 5.3771 5.4293 5.4293 10.1587 10.1587 10.4217 10.4217 11.9229 11.9229 12.0691 12.0691 12.6373 12.6373 12.8337 12.8337 12.9781 12.9781 k = 0.4815-0.0000 0.4360 ( 6884 PWs) bands (ev): -19.1203 -19.1203 -19.1179 -19.1179 -12.5650 -12.5650 -12.5577 -12.5577 -10.8080 -10.8080 -10.8012 -10.8012 -10.5566 -10.5566 -10.5550 -10.5550 -5.7349 -5.7349 -5.7317 -5.7317 -3.8200 -3.8200 -3.8082 -3.8082 -3.7319 -3.7319 -3.7278 -3.7278 -2.1761 -2.1761 -2.1527 -2.1527 1.1802 1.1802 1.1853 1.1853 1.6519 1.6519 1.6792 1.6792 2.3405 2.3405 2.4333 2.4333 4.0764 4.0764 4.1012 4.1012 4.2148 4.2148 4.2400 4.2400 4.5502 4.5502 4.5766 4.5766 4.9493 4.9493 4.9614 4.9614 5.1014 5.1014 5.1277 5.1277 5.3907 5.3907 5.4169 5.4169 10.2208 10.2208 10.3525 10.3525 11.9656 11.9656 12.0386 12.0386 12.6950 12.6950 12.7952 12.7952 13.0103 13.0103 k = 0.5000-0.0000 0.4360 ( 6880 PWs) bands (ev): -19.1191 -19.1191 -19.1191 -19.1191 -12.5614 -12.5614 -12.5614 -12.5614 -10.8046 -10.8046 -10.8046 -10.8046 -10.5557 -10.5557 -10.5557 -10.5557 -5.7333 -5.7333 -5.7333 -5.7333 -3.8142 -3.8142 -3.8142 -3.8142 -3.7300 -3.7300 -3.7300 -3.7300 -2.1639 -2.1639 -2.1639 -2.1639 1.1825 1.1825 1.1825 1.1825 1.6656 1.6656 1.6656 1.6656 2.3869 2.3869 2.3869 2.3869 4.0894 4.0894 4.0894 4.0894 4.2260 4.2260 4.2260 4.2260 4.5629 4.5629 4.5629 4.5629 4.9552 4.9552 4.9552 4.9552 5.1153 5.1153 5.1153 5.1153 5.4040 5.4040 5.4040 5.4040 10.2854 10.2854 10.2854 10.2854 12.0041 12.0041 12.0041 12.0041 12.7481 12.7481 12.7481 12.7481 13.0359 13.0359 Writing output data file BaTeO3.save init_run : 0.53s CPU 0.70s WALL ( 1 calls) electrons : 604.30s CPU 611.39s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 604.29s CPU 611.38s 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 : 0.14s CPU 0.21s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.09s CPU 0.12s WALL ( 252 calls) cegterg : 584.17s CPU 590.29s WALL ( 1037 calls) Called by sum_band: Called by *egterg: h_psi : 247.92s CPU 250.84s WALL ( 19861 calls) s_psi : 21.58s CPU 21.38s WALL ( 19861 calls) g_psi : 0.81s CPU 0.79s WALL ( 18572 calls) cdiaghg : 246.32s CPU 249.37s WALL ( 18824 calls) cegterg:over : 29.15s CPU 29.31s WALL ( 18572 calls) cegterg:upda : 29.52s CPU 29.63s WALL ( 18572 calls) cegterg:last : 10.71s CPU 10.71s WALL ( 1793 calls) cdiaghg:chol : 14.12s CPU 14.39s WALL ( 18824 calls) cdiaghg:inve : 10.38s CPU 10.60s WALL ( 18824 calls) cdiaghg:para : 18.16s CPU 18.14s WALL ( 37648 calls) Called by h_psi: h_psi:vloc : 199.12s CPU 201.56s WALL ( 19861 calls) h_psi:vnl : 47.66s CPU 48.12s WALL ( 19861 calls) add_vuspsi : 24.56s CPU 24.54s WALL ( 19861 calls) General routines calbec : 23.00s CPU 23.53s WALL ( 19861 calls) fft : 0.02s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 182.62s CPU 185.12s WALL ( 1706420 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.26s CPU 0.71s WALL ( 504 calls) Parallel routines fft_scatter : 61.80s CPU 62.43s WALL ( 1706443 calls) PWSCF : 10m30.92s CPU 10m51.19s WALL This run was terminated on: 14:24:52 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=