Program PWSCF v.5.4.0 starts on 4Aug2017 at 0:29:44 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 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: ./HC.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 77 43 12 4038 1695 257 Max 78 44 13 4042 1720 264 Sum 2791 1573 439 145423 61459 9323 bravais-lattice index = 14 lattice parameter (alat) = 10.2794 a.u. unit-cell volume = 1456.2910 (a.u.)^3 number of atoms/cell = 24 number of atomic types = 2 number of electrons = 60.00 number of Kohn-Sham states= 72 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.279353 celldm(2)= 1.015148 celldm(3)= 1.410508 celldm(4)= 0.351025 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.015148 0.000000 ) a(3) = ( 0.000000 0.495123 1.320752 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.985078 -0.369286 ) b(3) = ( 0.000000 0.000000 0.757144 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) C 4.00 12.01070 C( 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 ) ( 0.5000000 ) cart. s( 2) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( -0.5000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.2475616 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.6603761 ) 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 ) ( -0.5000000 ) cart. s( 4) = ( -1.0000000 0.0000000 0.0000000 ) f =( 0.5000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( -0.2475616 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.6603761 ) 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= 240 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041667 k( 2) = ( 0.0000000 0.0000000 0.0172078), wk = 0.0041667 k( 3) = ( 0.0000000 0.0000000 0.0344157), wk = 0.0041667 k( 4) = ( 0.0000000 0.0000000 0.0516235), wk = 0.0041667 k( 5) = ( 0.0000000 0.0000000 0.0688313), wk = 0.0041667 k( 6) = ( 0.0000000 0.0000000 0.0860391), wk = 0.0041667 k( 7) = ( 0.0000000 0.0000000 0.1032470), wk = 0.0041667 k( 8) = ( 0.0000000 0.0000000 0.1204548), wk = 0.0041667 k( 9) = ( 0.0000000 0.0000000 0.1376626), wk = 0.0041667 k( 10) = ( 0.0000000 0.0000000 0.1548704), wk = 0.0041667 k( 11) = ( 0.0000000 0.0000000 0.1720783), wk = 0.0041667 k( 12) = ( 0.0000000 0.0000000 0.1892861), wk = 0.0041667 k( 13) = ( 0.0000000 0.0000000 0.2064939), wk = 0.0041667 k( 14) = ( 0.0000000 0.0000000 0.2237017), wk = 0.0041667 k( 15) = ( 0.0000000 0.0000000 0.2409096), wk = 0.0041667 k( 16) = ( 0.0000000 0.0000000 0.2581174), wk = 0.0041667 k( 17) = ( 0.0000000 0.0000000 0.2753252), wk = 0.0041667 k( 18) = ( 0.0000000 0.0000000 0.2925330), wk = 0.0041667 k( 19) = ( 0.0000000 0.0000000 0.3097409), wk = 0.0041667 k( 20) = ( 0.0000000 0.0000000 0.3269487), wk = 0.0041667 k( 21) = ( 0.0000000 0.0000000 0.3441565), wk = 0.0041667 k( 22) = ( 0.0000000 0.0000000 0.3613643), wk = 0.0041667 k( 23) = ( 0.0000000 0.0000000 0.3785722), wk = 0.0041667 k( 24) = ( 0.0000000 0.0000000 0.3785722), wk = 0.0041667 k( 25) = ( 0.0000000 0.0167935 0.3785722), wk = 0.0041667 k( 26) = ( 0.0000000 0.0335871 0.3785722), wk = 0.0041667 k( 27) = ( 0.0000000 0.0503807 0.3785722), wk = 0.0041667 k( 28) = ( 0.0000000 0.0671742 0.3785722), wk = 0.0041667 k( 29) = ( 0.0000000 0.0839678 0.3785722), wk = 0.0041667 k( 30) = ( 0.0000000 0.1007613 0.3785722), wk = 0.0041667 k( 31) = ( 0.0000000 0.1175549 0.3785722), wk = 0.0041667 k( 32) = ( 0.0000000 0.1343484 0.3785722), wk = 0.0041667 k( 33) = ( 0.0000000 0.1511420 0.3785722), wk = 0.0041667 k( 34) = ( 0.0000000 0.1679355 0.3785722), wk = 0.0041667 k( 35) = ( 0.0000000 0.1847291 0.3785722), wk = 0.0041667 k( 36) = ( 0.0000000 0.2015226 0.3785722), wk = 0.0041667 k( 37) = ( 0.0000000 0.2183162 0.3785722), wk = 0.0041667 k( 38) = ( 0.0000000 0.2351097 0.3785722), wk = 0.0041667 k( 39) = ( 0.0000000 0.2519033 0.3785722), wk = 0.0041667 k( 40) = ( 0.0000000 0.2686968 0.3785722), wk = 0.0041667 k( 41) = ( 0.0000000 0.2854904 0.3785722), wk = 0.0041667 k( 42) = ( 0.0000000 0.3022839 0.3785722), wk = 0.0041667 k( 43) = ( 0.0000000 0.3190775 0.3785722), wk = 0.0041667 k( 44) = ( 0.0000000 0.3358710 0.3785722), wk = 0.0041667 k( 45) = ( 0.0000000 0.3526646 0.3785722), wk = 0.0041667 k( 46) = ( 0.0000000 0.3694581 0.3785722), wk = 0.0041667 k( 47) = ( 0.0000000 0.3862517 0.3785722), wk = 0.0041667 k( 48) = ( 0.0000000 0.4030452 0.3785722), wk = 0.0041667 k( 49) = ( 0.0000000 0.4198388 0.3785722), wk = 0.0041667 k( 50) = ( 0.0000000 0.4198388 0.3785722), wk = 0.0041667 k( 51) = ( 0.0000000 0.4258971 0.3631853), wk = 0.0041667 k( 52) = ( 0.0000000 0.4319555 0.3477984), wk = 0.0041667 k( 53) = ( 0.0000000 0.4380138 0.3324115), wk = 0.0041667 k( 54) = ( 0.0000000 0.4440722 0.3170246), wk = 0.0041667 k( 55) = ( 0.0000000 0.4501305 0.3016377), wk = 0.0041667 k( 56) = ( 0.0000000 0.4561889 0.2862507), wk = 0.0041667 k( 57) = ( 0.0000000 0.4622472 0.2708638), wk = 0.0041667 k( 58) = ( 0.0000000 0.4683055 0.2554769), wk = 0.0041667 k( 59) = ( 0.0000000 0.4743639 0.2400900), wk = 0.0041667 k( 60) = ( 0.0000000 0.4804222 0.2247031), wk = 0.0041667 k( 61) = ( 0.0000000 0.4864806 0.2093162), wk = 0.0041667 k( 62) = ( 0.0000000 0.4925389 0.1939293), wk = 0.0041667 k( 63) = ( 0.0000000 0.4925389 0.1939293), wk = 0.0041667 k( 64) = ( 0.0172414 0.4925389 0.1939293), wk = 0.0041667 k( 65) = ( 0.0344828 0.4925389 0.1939293), wk = 0.0041667 k( 66) = ( 0.0517241 0.4925389 0.1939293), wk = 0.0041667 k( 67) = ( 0.0689655 0.4925389 0.1939293), wk = 0.0041667 k( 68) = ( 0.0862069 0.4925389 0.1939293), wk = 0.0041667 k( 69) = ( 0.1034483 0.4925389 0.1939293), wk = 0.0041667 k( 70) = ( 0.1206897 0.4925389 0.1939293), wk = 0.0041667 k( 71) = ( 0.1379310 0.4925389 0.1939293), wk = 0.0041667 k( 72) = ( 0.1551724 0.4925389 0.1939293), wk = 0.0041667 k( 73) = ( 0.1724138 0.4925389 0.1939293), wk = 0.0041667 k( 74) = ( 0.1896552 0.4925389 0.1939293), wk = 0.0041667 k( 75) = ( 0.2068966 0.4925389 0.1939293), wk = 0.0041667 k( 76) = ( 0.2241379 0.4925389 0.1939293), wk = 0.0041667 k( 77) = ( 0.2413793 0.4925389 0.1939293), wk = 0.0041667 k( 78) = ( 0.2586207 0.4925389 0.1939293), wk = 0.0041667 k( 79) = ( 0.2758621 0.4925389 0.1939293), wk = 0.0041667 k( 80) = ( 0.2931034 0.4925389 0.1939293), wk = 0.0041667 k( 81) = ( 0.3103448 0.4925389 0.1939293), wk = 0.0041667 k( 82) = ( 0.3275862 0.4925389 0.1939293), wk = 0.0041667 k( 83) = ( 0.3448276 0.4925389 0.1939293), wk = 0.0041667 k( 84) = ( 0.3620690 0.4925389 0.1939293), wk = 0.0041667 k( 85) = ( 0.3793103 0.4925389 0.1939293), wk = 0.0041667 k( 86) = ( 0.3965517 0.4925389 0.1939293), wk = 0.0041667 k( 87) = ( 0.4137931 0.4925389 0.1939293), wk = 0.0041667 k( 88) = ( 0.4310345 0.4925389 0.1939293), wk = 0.0041667 k( 89) = ( 0.4482759 0.4925389 0.1939293), wk = 0.0041667 k( 90) = ( 0.4655172 0.4925389 0.1939293), wk = 0.0041667 k( 91) = ( 0.4827586 0.4925389 0.1939293), wk = 0.0041667 k( 92) = ( 0.5000000 0.4925389 0.1939293), wk = 0.0041667 k( 93) = ( 0.5000000 0.4925389 0.1939293), wk = 0.0041667 k( 94) = ( 0.5000000 0.4985973 0.1785424), wk = 0.0041667 k( 95) = ( 0.5000000 0.5046556 0.1631555), wk = 0.0041667 k( 96) = ( 0.5000000 0.5107140 0.1477686), wk = 0.0041667 k( 97) = ( 0.5000000 0.5167723 0.1323817), wk = 0.0041667 k( 98) = ( 0.5000000 0.5228307 0.1169948), wk = 0.0041667 k( 99) = ( 0.5000000 0.5288890 0.1016079), wk = 0.0041667 k( 100) = ( 0.5000000 0.5349474 0.0862210), wk = 0.0041667 k( 101) = ( 0.5000000 0.5410057 0.0708341), wk = 0.0041667 k( 102) = ( 0.5000000 0.5470641 0.0554472), wk = 0.0041667 k( 103) = ( 0.5000000 0.5531224 0.0400603), wk = 0.0041667 k( 104) = ( 0.5000000 0.5591808 0.0246734), wk = 0.0041667 k( 105) = ( 0.5000000 0.5652391 0.0092865), wk = 0.0041667 k( 106) = ( 0.5000000 0.5652391 0.0092865), wk = 0.0041667 k( 107) = ( 0.5000000 0.5591808 -0.0068743), wk = 0.0041667 k( 108) = ( 0.5000000 0.5531224 -0.0230350), wk = 0.0041667 k( 109) = ( 0.5000000 0.5470641 -0.0391958), wk = 0.0041667 k( 110) = ( 0.5000000 0.5410057 -0.0553566), wk = 0.0041667 k( 111) = ( 0.5000000 0.5349474 -0.0715174), wk = 0.0041667 k( 112) = ( 0.5000000 0.5288890 -0.0876782), wk = 0.0041667 k( 113) = ( 0.5000000 0.5228307 -0.1038389), wk = 0.0041667 k( 114) = ( 0.5000000 0.5167723 -0.1199997), wk = 0.0041667 k( 115) = ( 0.5000000 0.5107140 -0.1361605), wk = 0.0041667 k( 116) = ( 0.5000000 0.5046556 -0.1523213), wk = 0.0041667 k( 117) = ( 0.5000000 0.4985973 -0.1684820), wk = 0.0041667 k( 118) = ( 0.5000000 0.4925389 -0.1846428), wk = 0.0041667 k( 119) = ( 0.5000000 0.4925389 -0.1846428), wk = 0.0041667 k( 120) = ( 0.4827586 0.4925389 -0.1846428), wk = 0.0041667 k( 121) = ( 0.4655172 0.4925389 -0.1846428), wk = 0.0041667 k( 122) = ( 0.4482759 0.4925389 -0.1846428), wk = 0.0041667 k( 123) = ( 0.4310345 0.4925389 -0.1846428), wk = 0.0041667 k( 124) = ( 0.4137931 0.4925389 -0.1846428), wk = 0.0041667 k( 125) = ( 0.3965517 0.4925389 -0.1846428), wk = 0.0041667 k( 126) = ( 0.3793103 0.4925389 -0.1846428), wk = 0.0041667 k( 127) = ( 0.3620690 0.4925389 -0.1846428), wk = 0.0041667 k( 128) = ( 0.3448276 0.4925389 -0.1846428), wk = 0.0041667 k( 129) = ( 0.3275862 0.4925389 -0.1846428), wk = 0.0041667 k( 130) = ( 0.3103448 0.4925389 -0.1846428), wk = 0.0041667 k( 131) = ( 0.2931034 0.4925389 -0.1846428), wk = 0.0041667 k( 132) = ( 0.2758621 0.4925389 -0.1846428), wk = 0.0041667 k( 133) = ( 0.2586207 0.4925389 -0.1846428), wk = 0.0041667 k( 134) = ( 0.2413793 0.4925389 -0.1846428), wk = 0.0041667 k( 135) = ( 0.2241379 0.4925389 -0.1846428), wk = 0.0041667 k( 136) = ( 0.2068966 0.4925389 -0.1846428), wk = 0.0041667 k( 137) = ( 0.1896552 0.4925389 -0.1846428), wk = 0.0041667 k( 138) = ( 0.1724138 0.4925389 -0.1846428), wk = 0.0041667 k( 139) = ( 0.1551724 0.4925389 -0.1846428), wk = 0.0041667 k( 140) = ( 0.1379310 0.4925389 -0.1846428), wk = 0.0041667 k( 141) = ( 0.1206897 0.4925389 -0.1846428), wk = 0.0041667 k( 142) = ( 0.1034483 0.4925389 -0.1846428), wk = 0.0041667 k( 143) = ( 0.0862069 0.4925389 -0.1846428), wk = 0.0041667 k( 144) = ( 0.0689655 0.4925389 -0.1846428), wk = 0.0041667 k( 145) = ( 0.0517241 0.4925389 -0.1846428), wk = 0.0041667 k( 146) = ( 0.0344828 0.4925389 -0.1846428), wk = 0.0041667 k( 147) = ( 0.0172414 0.4925389 -0.1846428), wk = 0.0041667 k( 148) = ( 0.0000000 0.4925389 -0.1846428), wk = 0.0041667 k( 149) = ( 0.0000000 0.4925389 -0.1846428), wk = 0.0041667 k( 150) = ( 0.0000000 0.4985973 -0.1684820), wk = 0.0041667 k( 151) = ( 0.0000000 0.5046556 -0.1523213), wk = 0.0041667 k( 152) = ( 0.0000000 0.5107140 -0.1361605), wk = 0.0041667 k( 153) = ( 0.0000000 0.5167723 -0.1199997), wk = 0.0041667 k( 154) = ( 0.0000000 0.5228307 -0.1038389), wk = 0.0041667 k( 155) = ( 0.0000000 0.5288890 -0.0876782), wk = 0.0041667 k( 156) = ( 0.0000000 0.5349474 -0.0715174), wk = 0.0041667 k( 157) = ( 0.0000000 0.5410057 -0.0553566), wk = 0.0041667 k( 158) = ( 0.0000000 0.5470641 -0.0391958), wk = 0.0041667 k( 159) = ( 0.0000000 0.5531224 -0.0230350), wk = 0.0041667 k( 160) = ( 0.0000000 0.5591808 -0.0068743), wk = 0.0041667 k( 161) = ( 0.0000000 0.5652391 0.0092865), wk = 0.0041667 k( 162) = ( 0.5000000 0.4198388 0.3785722), wk = 0.0041667 k( 163) = ( 0.5000000 0.4030452 0.3785722), wk = 0.0041667 k( 164) = ( 0.5000000 0.3862517 0.3785722), wk = 0.0041667 k( 165) = ( 0.5000000 0.3694581 0.3785722), wk = 0.0041667 k( 166) = ( 0.5000000 0.3526646 0.3785722), wk = 0.0041667 k( 167) = ( 0.5000000 0.3358710 0.3785722), wk = 0.0041667 k( 168) = ( 0.5000000 0.3190775 0.3785722), wk = 0.0041667 k( 169) = ( 0.5000000 0.3022839 0.3785722), wk = 0.0041667 k( 170) = ( 0.5000000 0.2854904 0.3785722), wk = 0.0041667 k( 171) = ( 0.5000000 0.2686968 0.3785722), wk = 0.0041667 k( 172) = ( 0.5000000 0.2519033 0.3785722), wk = 0.0041667 k( 173) = ( 0.5000000 0.2351097 0.3785722), wk = 0.0041667 k( 174) = ( 0.5000000 0.2183162 0.3785722), wk = 0.0041667 k( 175) = ( 0.5000000 0.2015226 0.3785722), wk = 0.0041667 k( 176) = ( 0.5000000 0.1847291 0.3785722), wk = 0.0041667 k( 177) = ( 0.5000000 0.1679355 0.3785722), wk = 0.0041667 k( 178) = ( 0.5000000 0.1511420 0.3785722), wk = 0.0041667 k( 179) = ( 0.5000000 0.1343484 0.3785722), wk = 0.0041667 k( 180) = ( 0.5000000 0.1175549 0.3785722), wk = 0.0041667 k( 181) = ( 0.5000000 0.1007613 0.3785722), wk = 0.0041667 k( 182) = ( 0.5000000 0.0839678 0.3785722), wk = 0.0041667 k( 183) = ( 0.5000000 0.0671742 0.3785722), wk = 0.0041667 k( 184) = ( 0.5000000 0.0503807 0.3785722), wk = 0.0041667 k( 185) = ( 0.5000000 0.0335871 0.3785722), wk = 0.0041667 k( 186) = ( 0.5000000 0.0167935 0.3785722), wk = 0.0041667 k( 187) = ( 0.5000000 -0.0000000 0.3785722), wk = 0.0041667 k( 188) = ( 0.5000000 -0.0000000 0.3785722), wk = 0.0041667 k( 189) = ( 0.5000000 -0.0000000 0.3613643), wk = 0.0041667 k( 190) = ( 0.5000000 -0.0000000 0.3441565), wk = 0.0041667 k( 191) = ( 0.5000000 -0.0000000 0.3269487), wk = 0.0041667 k( 192) = ( 0.5000000 -0.0000000 0.3097409), wk = 0.0041667 k( 193) = ( 0.5000000 -0.0000000 0.2925330), wk = 0.0041667 k( 194) = ( 0.5000000 -0.0000000 0.2753252), wk = 0.0041667 k( 195) = ( 0.5000000 -0.0000000 0.2581174), wk = 0.0041667 k( 196) = ( 0.5000000 -0.0000000 0.2409096), wk = 0.0041667 k( 197) = ( 0.5000000 -0.0000000 0.2237017), wk = 0.0041667 k( 198) = ( 0.5000000 -0.0000000 0.2064939), wk = 0.0041667 k( 199) = ( 0.5000000 -0.0000000 0.1892861), wk = 0.0041667 k( 200) = ( 0.5000000 -0.0000000 0.1720783), wk = 0.0041667 k( 201) = ( 0.5000000 -0.0000000 0.1548704), wk = 0.0041667 k( 202) = ( 0.5000000 -0.0000000 0.1376626), wk = 0.0041667 k( 203) = ( 0.5000000 -0.0000000 0.1204548), wk = 0.0041667 k( 204) = ( 0.5000000 -0.0000000 0.1032470), wk = 0.0041667 k( 205) = ( 0.5000000 -0.0000000 0.0860391), wk = 0.0041667 k( 206) = ( 0.5000000 -0.0000000 0.0688313), wk = 0.0041667 k( 207) = ( 0.5000000 -0.0000000 0.0516235), wk = 0.0041667 k( 208) = ( 0.5000000 -0.0000000 0.0344157), wk = 0.0041667 k( 209) = ( 0.5000000 -0.0000000 0.0172078), wk = 0.0041667 k( 210) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0041667 k( 211) = ( 0.0000000 0.0000000 0.3785722), wk = 0.0041667 k( 212) = ( 0.0172414 -0.0000000 0.3785722), wk = 0.0041667 k( 213) = ( 0.0344828 -0.0000000 0.3785722), wk = 0.0041667 k( 214) = ( 0.0517241 -0.0000000 0.3785722), wk = 0.0041667 k( 215) = ( 0.0689655 -0.0000000 0.3785722), wk = 0.0041667 k( 216) = ( 0.0862069 -0.0000000 0.3785722), wk = 0.0041667 k( 217) = ( 0.1034483 -0.0000000 0.3785722), wk = 0.0041667 k( 218) = ( 0.1206897 -0.0000000 0.3785722), wk = 0.0041667 k( 219) = ( 0.1379310 -0.0000000 0.3785722), wk = 0.0041667 k( 220) = ( 0.1551724 -0.0000000 0.3785722), wk = 0.0041667 k( 221) = ( 0.1724138 -0.0000000 0.3785722), wk = 0.0041667 k( 222) = ( 0.1896552 -0.0000000 0.3785722), wk = 0.0041667 k( 223) = ( 0.2068966 -0.0000000 0.3785722), wk = 0.0041667 k( 224) = ( 0.2241379 -0.0000000 0.3785722), wk = 0.0041667 k( 225) = ( 0.2413793 -0.0000000 0.3785722), wk = 0.0041667 k( 226) = ( 0.2586207 -0.0000000 0.3785722), wk = 0.0041667 k( 227) = ( 0.2758621 -0.0000000 0.3785722), wk = 0.0041667 k( 228) = ( 0.2931034 -0.0000000 0.3785722), wk = 0.0041667 k( 229) = ( 0.3103448 -0.0000000 0.3785722), wk = 0.0041667 k( 230) = ( 0.3275862 -0.0000000 0.3785722), wk = 0.0041667 k( 231) = ( 0.3448276 -0.0000000 0.3785722), wk = 0.0041667 k( 232) = ( 0.3620690 -0.0000000 0.3785722), wk = 0.0041667 k( 233) = ( 0.3793103 -0.0000000 0.3785722), wk = 0.0041667 k( 234) = ( 0.3965517 -0.0000000 0.3785722), wk = 0.0041667 k( 235) = ( 0.4137931 -0.0000000 0.3785722), wk = 0.0041667 k( 236) = ( 0.4310345 -0.0000000 0.3785722), wk = 0.0041667 k( 237) = ( 0.4482759 -0.0000000 0.3785722), wk = 0.0041667 k( 238) = ( 0.4655172 -0.0000000 0.3785722), wk = 0.0041667 k( 239) = ( 0.4827586 -0.0000000 0.3785722), wk = 0.0041667 k( 240) = ( 0.5000000 -0.0000000 0.3785722), wk = 0.0041667 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0041667 k( 2) = ( 0.0000000 0.0000000 0.0227273), wk = 0.0041667 k( 3) = ( 0.0000000 0.0000000 0.0454546), wk = 0.0041667 k( 4) = ( 0.0000000 0.0000000 0.0681818), wk = 0.0041667 k( 5) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0041667 k( 6) = ( 0.0000000 0.0000000 0.1136364), wk = 0.0041667 k( 7) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0041667 k( 8) = ( 0.0000000 0.0000000 0.1590909), wk = 0.0041667 k( 9) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0041667 k( 10) = ( 0.0000000 0.0000000 0.2045455), wk = 0.0041667 k( 11) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0041667 k( 12) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0041667 k( 13) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0041667 k( 14) = ( 0.0000000 0.0000000 0.2954545), wk = 0.0041667 k( 15) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0041667 k( 16) = ( 0.0000000 0.0000000 0.3409091), wk = 0.0041667 k( 17) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0041667 k( 18) = ( 0.0000000 0.0000000 0.3863636), wk = 0.0041667 k( 19) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0041667 k( 20) = ( 0.0000000 0.0000000 0.4318182), wk = 0.0041667 k( 21) = ( 0.0000000 0.0000000 0.4545455), wk = 0.0041667 k( 22) = ( 0.0000000 0.0000000 0.4772727), wk = 0.0041667 k( 23) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0041667 k( 24) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0041667 k( 25) = ( 0.0000000 0.0170479 0.5083149), wk = 0.0041667 k( 26) = ( 0.0000000 0.0340959 0.5166297), wk = 0.0041667 k( 27) = ( 0.0000000 0.0511438 0.5249446), wk = 0.0041667 k( 28) = ( 0.0000000 0.0681918 0.5332595), wk = 0.0041667 k( 29) = ( 0.0000000 0.0852397 0.5415744), wk = 0.0041667 k( 30) = ( 0.0000000 0.1022877 0.5498892), wk = 0.0041667 k( 31) = ( 0.0000000 0.1193356 0.5582041), wk = 0.0041667 k( 32) = ( 0.0000000 0.1363835 0.5665190), wk = 0.0041667 k( 33) = ( 0.0000000 0.1534315 0.5748339), wk = 0.0041667 k( 34) = ( 0.0000000 0.1704794 0.5831487), wk = 0.0041667 k( 35) = ( 0.0000000 0.1875274 0.5914636), wk = 0.0041667 k( 36) = ( 0.0000000 0.2045753 0.5997785), wk = 0.0041667 k( 37) = ( 0.0000000 0.2216232 0.6080934), wk = 0.0041667 k( 38) = ( 0.0000000 0.2386712 0.6164082), wk = 0.0041667 k( 39) = ( 0.0000000 0.2557191 0.6247231), wk = 0.0041667 k( 40) = ( 0.0000000 0.2727671 0.6330380), wk = 0.0041667 k( 41) = ( 0.0000000 0.2898150 0.6413529), wk = 0.0041667 k( 42) = ( 0.0000000 0.3068630 0.6496678), wk = 0.0041667 k( 43) = ( 0.0000000 0.3239109 0.6579826), wk = 0.0041667 k( 44) = ( 0.0000000 0.3409588 0.6662975), wk = 0.0041667 k( 45) = ( 0.0000000 0.3580068 0.6746124), wk = 0.0041667 k( 46) = ( 0.0000000 0.3750547 0.6829273), wk = 0.0041667 k( 47) = ( 0.0000000 0.3921027 0.6912421), wk = 0.0041667 k( 48) = ( 0.0000000 0.4091506 0.6995570), wk = 0.0041667 k( 49) = ( 0.0000000 0.4261986 0.7078719), wk = 0.0041667 k( 50) = ( 0.0000000 0.4261986 0.7078719), wk = 0.0041667 k( 51) = ( 0.0000000 0.4323487 0.6905492), wk = 0.0041667 k( 52) = ( 0.0000000 0.4384988 0.6732266), wk = 0.0041667 k( 53) = ( 0.0000000 0.4446489 0.6559039), wk = 0.0041667 k( 54) = ( 0.0000000 0.4507990 0.6385813), wk = 0.0041667 k( 55) = ( 0.0000000 0.4569492 0.6212586), wk = 0.0041667 k( 56) = ( 0.0000000 0.4630993 0.6039359), wk = 0.0041667 k( 57) = ( 0.0000000 0.4692494 0.5866133), wk = 0.0041667 k( 58) = ( 0.0000000 0.4753995 0.5692906), wk = 0.0041667 k( 59) = ( 0.0000000 0.4815496 0.5519680), wk = 0.0041667 k( 60) = ( 0.0000000 0.4876998 0.5346453), wk = 0.0041667 k( 61) = ( 0.0000000 0.4938499 0.5173227), wk = 0.0041667 k( 62) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0041667 k( 63) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0041667 k( 64) = ( 0.0172414 0.5000000 0.5000000), wk = 0.0041667 k( 65) = ( 0.0344828 0.5000000 0.5000000), wk = 0.0041667 k( 66) = ( 0.0517241 0.5000000 0.5000000), wk = 0.0041667 k( 67) = ( 0.0689655 0.5000000 0.5000000), wk = 0.0041667 k( 68) = ( 0.0862069 0.5000000 0.5000000), wk = 0.0041667 k( 69) = ( 0.1034483 0.5000000 0.5000000), wk = 0.0041667 k( 70) = ( 0.1206897 0.5000000 0.5000000), wk = 0.0041667 k( 71) = ( 0.1379310 0.5000000 0.5000000), wk = 0.0041667 k( 72) = ( 0.1551724 0.5000000 0.5000000), wk = 0.0041667 k( 73) = ( 0.1724138 0.5000000 0.5000000), wk = 0.0041667 k( 74) = ( 0.1896552 0.5000000 0.5000000), wk = 0.0041667 k( 75) = ( 0.2068966 0.5000000 0.5000000), wk = 0.0041667 k( 76) = ( 0.2241379 0.5000000 0.5000000), wk = 0.0041667 k( 77) = ( 0.2413793 0.5000000 0.5000000), wk = 0.0041667 k( 78) = ( 0.2586207 0.5000000 0.5000000), wk = 0.0041667 k( 79) = ( 0.2758621 0.5000000 0.5000000), wk = 0.0041667 k( 80) = ( 0.2931034 0.5000000 0.5000000), wk = 0.0041667 k( 81) = ( 0.3103448 0.5000000 0.5000000), wk = 0.0041667 k( 82) = ( 0.3275862 0.5000000 0.5000000), wk = 0.0041667 k( 83) = ( 0.3448276 0.5000000 0.5000000), wk = 0.0041667 k( 84) = ( 0.3620690 0.5000000 0.5000000), wk = 0.0041667 k( 85) = ( 0.3793103 0.5000000 0.5000000), wk = 0.0041667 k( 86) = ( 0.3965517 0.5000000 0.5000000), wk = 0.0041667 k( 87) = ( 0.4137931 0.5000000 0.5000000), wk = 0.0041667 k( 88) = ( 0.4310345 0.5000000 0.5000000), wk = 0.0041667 k( 89) = ( 0.4482759 0.5000000 0.5000000), wk = 0.0041667 k( 90) = ( 0.4655172 0.5000000 0.5000000), wk = 0.0041667 k( 91) = ( 0.4827586 0.5000000 0.5000000), wk = 0.0041667 k( 92) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041667 k( 93) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0041667 k( 94) = ( 0.5000000 0.5061501 0.4826773), wk = 0.0041667 k( 95) = ( 0.5000000 0.5123002 0.4653547), wk = 0.0041667 k( 96) = ( 0.5000000 0.5184504 0.4480320), wk = 0.0041667 k( 97) = ( 0.5000000 0.5246005 0.4307094), wk = 0.0041667 k( 98) = ( 0.5000000 0.5307506 0.4133867), wk = 0.0041667 k( 99) = ( 0.5000000 0.5369007 0.3960641), wk = 0.0041667 k( 100) = ( 0.5000000 0.5430508 0.3787414), wk = 0.0041667 k( 101) = ( 0.5000000 0.5492010 0.3614187), wk = 0.0041667 k( 102) = ( 0.5000000 0.5553511 0.3440961), wk = 0.0041667 k( 103) = ( 0.5000000 0.5615012 0.3267734), wk = 0.0041667 k( 104) = ( 0.5000000 0.5676513 0.3094508), wk = 0.0041667 k( 105) = ( 0.5000000 0.5738014 0.2921281), wk = 0.0041667 k( 106) = ( 0.5000000 0.5738014 0.2921281), wk = 0.0041667 k( 107) = ( 0.5000000 0.5676513 0.2677841), wk = 0.0041667 k( 108) = ( 0.5000000 0.5615012 0.2434401), wk = 0.0041667 k( 109) = ( 0.5000000 0.5553511 0.2190961), wk = 0.0041667 k( 110) = ( 0.5000000 0.5492010 0.1947521), wk = 0.0041667 k( 111) = ( 0.5000000 0.5430508 0.1704081), wk = 0.0041667 k( 112) = ( 0.5000000 0.5369007 0.1460641), wk = 0.0041667 k( 113) = ( 0.5000000 0.5307506 0.1217201), wk = 0.0041667 k( 114) = ( 0.5000000 0.5246005 0.0973760), wk = 0.0041667 k( 115) = ( 0.5000000 0.5184504 0.0730320), wk = 0.0041667 k( 116) = ( 0.5000000 0.5123002 0.0486880), wk = 0.0041667 k( 117) = ( 0.5000000 0.5061501 0.0243440), wk = 0.0041667 k( 118) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0041667 k( 119) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0041667 k( 120) = ( 0.4827586 0.5000000 0.0000000), wk = 0.0041667 k( 121) = ( 0.4655172 0.5000000 0.0000000), wk = 0.0041667 k( 122) = ( 0.4482759 0.5000000 0.0000000), wk = 0.0041667 k( 123) = ( 0.4310345 0.5000000 0.0000000), wk = 0.0041667 k( 124) = ( 0.4137931 0.5000000 0.0000000), wk = 0.0041667 k( 125) = ( 0.3965517 0.5000000 0.0000000), wk = 0.0041667 k( 126) = ( 0.3793103 0.5000000 0.0000000), wk = 0.0041667 k( 127) = ( 0.3620690 0.5000000 0.0000000), wk = 0.0041667 k( 128) = ( 0.3448276 0.5000000 0.0000000), wk = 0.0041667 k( 129) = ( 0.3275862 0.5000000 0.0000000), wk = 0.0041667 k( 130) = ( 0.3103448 0.5000000 0.0000000), wk = 0.0041667 k( 131) = ( 0.2931034 0.5000000 -0.0000000), wk = 0.0041667 k( 132) = ( 0.2758621 0.5000000 0.0000000), wk = 0.0041667 k( 133) = ( 0.2586207 0.5000000 0.0000000), wk = 0.0041667 k( 134) = ( 0.2413793 0.5000000 0.0000000), wk = 0.0041667 k( 135) = ( 0.2241379 0.5000000 0.0000000), wk = 0.0041667 k( 136) = ( 0.2068966 0.5000000 0.0000000), wk = 0.0041667 k( 137) = ( 0.1896552 0.5000000 0.0000000), wk = 0.0041667 k( 138) = ( 0.1724138 0.5000000 0.0000000), wk = 0.0041667 k( 139) = ( 0.1551724 0.5000000 0.0000000), wk = 0.0041667 k( 140) = ( 0.1379310 0.5000000 0.0000000), wk = 0.0041667 k( 141) = ( 0.1206897 0.5000000 0.0000000), wk = 0.0041667 k( 142) = ( 0.1034483 0.5000000 0.0000000), wk = 0.0041667 k( 143) = ( 0.0862069 0.5000000 0.0000000), wk = 0.0041667 k( 144) = ( 0.0689655 0.5000000 0.0000000), wk = 0.0041667 k( 145) = ( 0.0517241 0.5000000 0.0000000), wk = 0.0041667 k( 146) = ( 0.0344828 0.5000000 0.0000000), wk = 0.0041667 k( 147) = ( 0.0172414 0.5000000 0.0000000), wk = 0.0041667 k( 148) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0041667 k( 149) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0041667 k( 150) = ( 0.0000000 0.5061501 0.0243440), wk = 0.0041667 k( 151) = ( 0.0000000 0.5123002 0.0486880), wk = 0.0041667 k( 152) = ( 0.0000000 0.5184504 0.0730320), wk = 0.0041667 k( 153) = ( 0.0000000 0.5246005 0.0973760), wk = 0.0041667 k( 154) = ( 0.0000000 0.5307506 0.1217201), wk = 0.0041667 k( 155) = ( 0.0000000 0.5369007 0.1460641), wk = 0.0041667 k( 156) = ( 0.0000000 0.5430508 0.1704081), wk = 0.0041667 k( 157) = ( 0.0000000 0.5492010 0.1947521), wk = 0.0041667 k( 158) = ( 0.0000000 0.5553511 0.2190961), wk = 0.0041667 k( 159) = ( 0.0000000 0.5615012 0.2434401), wk = 0.0041667 k( 160) = ( 0.0000000 0.5676513 0.2677841), wk = 0.0041667 k( 161) = ( 0.0000000 0.5738014 0.2921281), wk = 0.0041667 k( 162) = ( 0.5000000 0.4261986 0.7078719), wk = 0.0041667 k( 163) = ( 0.5000000 0.4091506 0.6995570), wk = 0.0041667 k( 164) = ( 0.5000000 0.3921027 0.6912421), wk = 0.0041667 k( 165) = ( 0.5000000 0.3750547 0.6829273), wk = 0.0041667 k( 166) = ( 0.5000000 0.3580068 0.6746124), wk = 0.0041667 k( 167) = ( 0.5000000 0.3409588 0.6662975), wk = 0.0041667 k( 168) = ( 0.5000000 0.3239109 0.6579826), wk = 0.0041667 k( 169) = ( 0.5000000 0.3068630 0.6496678), wk = 0.0041667 k( 170) = ( 0.5000000 0.2898150 0.6413529), wk = 0.0041667 k( 171) = ( 0.5000000 0.2727671 0.6330380), wk = 0.0041667 k( 172) = ( 0.5000000 0.2557191 0.6247231), wk = 0.0041667 k( 173) = ( 0.5000000 0.2386712 0.6164082), wk = 0.0041667 k( 174) = ( 0.5000000 0.2216232 0.6080934), wk = 0.0041667 k( 175) = ( 0.5000000 0.2045753 0.5997785), wk = 0.0041667 k( 176) = ( 0.5000000 0.1875274 0.5914636), wk = 0.0041667 k( 177) = ( 0.5000000 0.1704794 0.5831487), wk = 0.0041667 k( 178) = ( 0.5000000 0.1534315 0.5748339), wk = 0.0041667 k( 179) = ( 0.5000000 0.1363835 0.5665190), wk = 0.0041667 k( 180) = ( 0.5000000 0.1193356 0.5582041), wk = 0.0041667 k( 181) = ( 0.5000000 0.1022877 0.5498892), wk = 0.0041667 k( 182) = ( 0.5000000 0.0852397 0.5415744), wk = 0.0041667 k( 183) = ( 0.5000000 0.0681918 0.5332595), wk = 0.0041667 k( 184) = ( 0.5000000 0.0511438 0.5249446), wk = 0.0041667 k( 185) = ( 0.5000000 0.0340959 0.5166297), wk = 0.0041667 k( 186) = ( 0.5000000 0.0170479 0.5083149), wk = 0.0041667 k( 187) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0041667 k( 188) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0041667 k( 189) = ( 0.5000000 0.0000000 0.4772727), wk = 0.0041667 k( 190) = ( 0.5000000 0.0000000 0.4545455), wk = 0.0041667 k( 191) = ( 0.5000000 0.0000000 0.4318182), wk = 0.0041667 k( 192) = ( 0.5000000 0.0000000 0.4090909), wk = 0.0041667 k( 193) = ( 0.5000000 0.0000000 0.3863636), wk = 0.0041667 k( 194) = ( 0.5000000 0.0000000 0.3636364), wk = 0.0041667 k( 195) = ( 0.5000000 0.0000000 0.3409091), wk = 0.0041667 k( 196) = ( 0.5000000 0.0000000 0.3181818), wk = 0.0041667 k( 197) = ( 0.5000000 0.0000000 0.2954545), wk = 0.0041667 k( 198) = ( 0.5000000 0.0000000 0.2727273), wk = 0.0041667 k( 199) = ( 0.5000000 0.0000000 0.2500000), wk = 0.0041667 k( 200) = ( 0.5000000 0.0000000 0.2272727), wk = 0.0041667 k( 201) = ( 0.5000000 0.0000000 0.2045454), wk = 0.0041667 k( 202) = ( 0.5000000 0.0000000 0.1818182), wk = 0.0041667 k( 203) = ( 0.5000000 0.0000000 0.1590909), wk = 0.0041667 k( 204) = ( 0.5000000 0.0000000 0.1363636), wk = 0.0041667 k( 205) = ( 0.5000000 0.0000000 0.1136364), wk = 0.0041667 k( 206) = ( 0.5000000 0.0000000 0.0909091), wk = 0.0041667 k( 207) = ( 0.5000000 0.0000000 0.0681818), wk = 0.0041667 k( 208) = ( 0.5000000 0.0000000 0.0454546), wk = 0.0041667 k( 209) = ( 0.5000000 0.0000000 0.0227273), wk = 0.0041667 k( 210) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0041667 k( 211) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0041667 k( 212) = ( 0.0172414 -0.0000000 0.5000000), wk = 0.0041667 k( 213) = ( 0.0344828 -0.0000000 0.5000000), wk = 0.0041667 k( 214) = ( 0.0517241 0.0000000 0.5000000), wk = 0.0041667 k( 215) = ( 0.0689655 -0.0000000 0.5000000), wk = 0.0041667 k( 216) = ( 0.0862069 0.0000000 0.5000000), wk = 0.0041667 k( 217) = ( 0.1034483 0.0000000 0.5000000), wk = 0.0041667 k( 218) = ( 0.1206897 -0.0000000 0.5000000), wk = 0.0041667 k( 219) = ( 0.1379310 0.0000000 0.5000000), wk = 0.0041667 k( 220) = ( 0.1551724 0.0000000 0.5000000), wk = 0.0041667 k( 221) = ( 0.1724138 -0.0000000 0.5000000), wk = 0.0041667 k( 222) = ( 0.1896552 -0.0000000 0.5000000), wk = 0.0041667 k( 223) = ( 0.2068966 0.0000000 0.5000000), wk = 0.0041667 k( 224) = ( 0.2241379 -0.0000000 0.5000000), wk = 0.0041667 k( 225) = ( 0.2413793 0.0000000 0.5000000), wk = 0.0041667 k( 226) = ( 0.2586207 -0.0000000 0.5000000), wk = 0.0041667 k( 227) = ( 0.2758621 0.0000000 0.5000000), wk = 0.0041667 k( 228) = ( 0.2931034 0.0000000 0.5000000), wk = 0.0041667 k( 229) = ( 0.3103448 -0.0000000 0.5000000), wk = 0.0041667 k( 230) = ( 0.3275862 0.0000000 0.5000000), wk = 0.0041667 k( 231) = ( 0.3448276 0.0000000 0.5000000), wk = 0.0041667 k( 232) = ( 0.3620690 -0.0000000 0.5000000), wk = 0.0041667 k( 233) = ( 0.3793103 -0.0000000 0.5000000), wk = 0.0041667 k( 234) = ( 0.3965517 0.0000000 0.5000000), wk = 0.0041667 k( 235) = ( 0.4137931 0.0000000 0.5000000), wk = 0.0041667 k( 236) = ( 0.4310345 0.0000000 0.5000000), wk = 0.0041667 k( 237) = ( 0.4482759 -0.0000000 0.5000000), wk = 0.0041667 k( 238) = ( 0.4655172 0.0000000 0.5000000), wk = 0.0041667 k( 239) = ( 0.4827586 0.0000000 0.5000000), wk = 0.0041667 k( 240) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0041667 Dense grid: 145423 G-vectors FFT dimensions: ( 60, 64, 90) Smooth grid: 61459 G-vectors FFT dimensions: ( 45, 45, 64) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.48 Mb ( 438, 72) NL pseudopotentials 0.64 Mb ( 219, 192) Each V/rho on FFT grid 0.18 Mb ( 11520) Each G-vector array 0.03 Mb ( 4042) G-vector shells 0.03 Mb ( 3960) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.92 Mb ( 438, 288) Each subspace H/S matrix 0.08 Mb ( 72, 72) Each matrix 0.42 Mb ( 192, 2, 72) Check: negative/imaginary core charge= -0.000009 0.000000 The potential is recalculated from file : ./HC.save/charge-density.dat Starting wfc are 120 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.3 secs Computing kpt #: 2 total cpu time spent up to now is 3.4 secs Computing kpt #: 3 total cpu time spent up to now is 4.4 secs Computing kpt #: 4 total cpu time spent up to now is 5.4 secs Computing kpt #: 5 total cpu time spent up to now is 6.4 secs Computing kpt #: 6 total cpu time spent up to now is 7.4 secs Computing kpt #: 7 total cpu time spent up to now is 8.5 secs Computing kpt #: 8 total cpu time spent up to now is 9.5 secs Computing kpt #: 9 total cpu time spent up to now is 10.6 secs Computing kpt #: 10 total cpu time spent up to now is 11.6 secs Computing kpt #: 11 total cpu time spent up to now is 12.7 secs Computing kpt #: 12 total cpu time spent up to now is 13.6 secs Computing kpt #: 13 total cpu time spent up to now is 14.5 secs Computing kpt #: 14 total cpu time spent up to now is 15.6 secs Computing kpt #: 15 total cpu time spent up to now is 16.6 secs Computing kpt #: 16 total cpu time spent up to now is 17.5 secs Computing kpt #: 17 total cpu time spent up to now is 18.4 secs Computing kpt #: 18 total cpu time spent up to now is 19.5 secs Computing kpt #: 19 total cpu time spent up to now is 20.7 secs Computing kpt #: 20 total cpu time spent up to now is 21.7 secs Computing kpt #: 21 total cpu time spent up to now is 22.6 secs Computing kpt #: 22 total cpu time spent up to now is 23.5 secs Computing kpt #: 23 total cpu time spent up to now is 24.3 secs Computing kpt #: 24 total cpu time spent up to now is 25.2 secs Computing kpt #: 25 total cpu time spent up to now is 26.1 secs Computing kpt #: 26 total cpu time spent up to now is 27.0 secs Computing kpt #: 27 total cpu time spent up to now is 27.9 secs Computing kpt #: 28 total cpu time spent up to now is 28.8 secs Computing kpt #: 29 total cpu time spent up to now is 29.6 secs Computing kpt #: 30 total cpu time spent up to now is 30.5 secs Computing kpt #: 31 total cpu time spent up to now is 31.4 secs Computing kpt #: 32 total cpu time spent up to now is 32.3 secs Computing kpt #: 33 total cpu time spent up to now is 33.2 secs Computing kpt #: 34 total cpu time spent up to now is 34.1 secs Computing kpt #: 35 total cpu time spent up to now is 35.0 secs Computing kpt #: 36 total cpu time spent up to now is 35.9 secs Computing kpt #: 37 total cpu time spent up to now is 36.8 secs Computing kpt #: 38 total cpu time spent up to now is 37.9 secs Computing kpt #: 39 total cpu time spent up to now is 38.8 secs Computing kpt #: 40 total cpu time spent up to now is 39.7 secs Computing kpt #: 41 total cpu time spent up to now is 40.7 secs Computing kpt #: 42 total cpu time spent up to now is 41.6 secs Computing kpt #: 43 total cpu time spent up to now is 42.6 secs Computing kpt #: 44 total cpu time spent up to now is 43.7 secs Computing kpt #: 45 total cpu time spent up to now is 44.8 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spent up to now is 62.0 secs Computing kpt #: 62 total cpu time spent up to now is 63.1 secs Computing kpt #: 63 total cpu time spent up to now is 64.2 secs Computing kpt #: 64 total cpu time spent up to now is 65.3 secs Computing kpt #: 65 total cpu time spent up to now is 66.4 secs Computing kpt #: 66 total cpu time spent up to now is 67.5 secs Computing kpt #: 67 total cpu time spent up to now is 68.5 secs Computing kpt #: 68 total cpu time spent up to now is 69.5 secs Computing kpt #: 69 total cpu time spent up to now is 70.4 secs Computing kpt #: 70 total cpu time spent up to now is 71.4 secs Computing kpt #: 71 total cpu time spent up to now is 72.9 secs Computing kpt #: 72 total cpu time spent up to now is 73.8 secs Computing kpt #: 73 total cpu time spent up to now is 74.8 secs Computing kpt #: 74 total cpu time spent up to now is 75.7 secs Computing kpt #: 75 total cpu time spent up to now is 76.7 secs Computing kpt #: 76 total cpu time spent up to now is 77.7 secs Computing 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is 92.9 secs Computing kpt #: 93 total cpu time spent up to now is 93.8 secs Computing kpt #: 94 total cpu time spent up to now is 94.7 secs Computing kpt #: 95 total cpu time spent up to now is 95.7 secs Computing kpt #: 96 total cpu time spent up to now is 96.6 secs Computing kpt #: 97 total cpu time spent up to now is 97.6 secs Computing kpt #: 98 total cpu time spent up to now is 98.5 secs Computing kpt #: 99 total cpu time spent up to now is 99.6 secs Computing kpt #: 100 total cpu time spent up to now is 100.7 secs Computing kpt #: 101 total cpu time spent up to now is 101.7 secs Computing kpt #: 102 total cpu time spent up to now is 102.8 secs Computing kpt #: 103 total cpu time spent up to now is 103.9 secs Computing kpt #: 104 total cpu time spent up to now is 104.9 secs Computing kpt #: 105 total cpu time spent up to now is 106.0 secs Computing kpt #: 106 total cpu time spent up to now is 107.1 secs Computing kpt #: 107 total cpu time spent up to now is 108.1 secs Computing kpt #: 108 total cpu time spent up to now is 109.2 secs Computing kpt #: 109 total cpu time spent up to now is 110.3 secs Computing kpt #: 110 total cpu time spent up to now is 111.3 secs Computing kpt #: 111 total cpu time spent up to now is 112.4 secs Computing kpt #: 112 total cpu time spent up to now is 113.5 secs Computing kpt #: 113 total cpu time spent up to now is 114.4 secs Computing kpt #: 114 total cpu time spent up to now is 115.3 secs Computing kpt #: 115 total cpu time spent up to now is 116.3 secs Computing kpt #: 116 total cpu time spent up to now is 117.2 secs Computing kpt #: 117 total cpu time spent up to now is 118.1 secs Computing kpt #: 118 total cpu time spent up to now is 119.1 secs Computing kpt #: 119 total cpu time spent up to now is 120.0 secs Computing kpt #: 120 total cpu time spent up to now is 120.9 secs Computing kpt #: 121 total cpu time spent up to now is 121.9 secs Computing kpt #: 122 total cpu time spent up to now is 122.8 secs Computing kpt #: 123 total cpu time spent up to now is 123.7 secs Computing kpt #: 124 total cpu time spent up to now is 124.7 secs Computing kpt #: 125 total cpu time spent up to now is 125.6 secs Computing kpt #: 126 total cpu time spent up to now is 126.6 secs Computing kpt #: 127 total cpu time spent up to now is 127.5 secs Computing kpt #: 128 total cpu time spent up to now is 128.4 secs Computing kpt #: 129 total cpu time spent up to now is 129.4 secs Computing kpt #: 130 total cpu time spent up to now is 130.3 secs Computing kpt #: 131 total cpu time spent up to now is 131.3 secs Computing kpt #: 132 total cpu time spent up to now is 132.2 secs Computing kpt #: 133 total cpu time spent up to now is 133.2 secs Computing kpt #: 134 total cpu time spent up to now is 134.1 secs Computing kpt #: 135 total cpu time spent up to now is 135.0 secs Computing kpt #: 136 total cpu time spent up to now is 135.9 secs Computing kpt #: 137 total cpu time spent up to now is 136.9 secs Computing kpt #: 138 total cpu 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up to now is 154.1 secs Computing kpt #: 154 total cpu time spent up to now is 155.2 secs Computing kpt #: 155 total cpu time spent up to now is 156.3 secs Computing kpt #: 156 total cpu time spent up to now is 157.3 secs Computing kpt #: 157 total cpu time spent up to now is 158.4 secs Computing kpt #: 158 total cpu time spent up to now is 159.5 secs Computing kpt #: 159 total cpu time spent up to now is 160.7 secs Computing kpt #: 160 total cpu time spent up to now is 161.8 secs Computing kpt #: 161 total cpu time spent up to now is 162.9 secs Computing kpt #: 162 total cpu time spent up to now is 164.0 secs Computing kpt #: 163 total cpu time spent up to now is 165.1 secs Computing kpt #: 164 total cpu time spent up to now is 166.1 secs Computing kpt #: 165 total cpu time spent up to now is 167.2 secs Computing kpt #: 166 total cpu time spent up to now is 168.3 secs Computing kpt #: 167 total cpu time spent up to now is 169.4 secs Computing kpt #: 168 total cpu time spent up to now is 170.5 secs Computing kpt #: 169 total cpu time spent up to now is 171.5 secs Computing kpt #: 170 total cpu time spent up to now is 172.7 secs Computing kpt #: 171 total cpu time spent up to now is 173.7 secs Computing kpt #: 172 total cpu time spent up to now is 174.8 secs Computing kpt #: 173 total cpu time spent up to now is 175.9 secs Computing kpt #: 174 total cpu time spent up to now is 177.0 secs Computing kpt #: 175 total cpu time spent up to now is 178.1 secs Computing kpt #: 176 total cpu time spent up to now is 179.1 secs Computing kpt #: 177 total cpu time spent up to now is 180.2 secs Computing kpt #: 178 total cpu time spent up to now is 181.3 secs Computing kpt #: 179 total cpu time spent up to now is 182.3 secs Computing kpt #: 180 total cpu time spent up to now is 183.4 secs Computing kpt #: 181 total cpu time spent up to now is 184.5 secs Computing kpt #: 182 total cpu time spent up to now is 185.5 secs Computing kpt #: 183 total cpu time spent up to now is 186.6 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Computing kpt #: 199 total cpu time spent up to now is 203.4 secs Computing kpt #: 200 total cpu time spent up to now is 204.4 secs Computing kpt #: 201 total cpu time spent up to now is 205.3 secs Computing kpt #: 202 total cpu time spent up to now is 206.2 secs Computing kpt #: 203 total cpu time spent up to now is 207.2 secs Computing kpt #: 204 total cpu time spent up to now is 208.1 secs Computing kpt #: 205 total cpu time spent up to now is 209.0 secs Computing kpt #: 206 total cpu time spent up to now is 210.0 secs Computing kpt #: 207 total cpu time spent up to now is 210.9 secs Computing kpt #: 208 total cpu time spent up to now is 211.9 secs Computing kpt #: 209 total cpu time spent up to now is 212.8 secs Computing kpt #: 210 total cpu time spent up to now is 213.8 secs Computing kpt #: 211 total cpu time spent up to now is 214.7 secs Computing kpt #: 212 total cpu time spent up to now is 215.5 secs Computing kpt #: 213 total cpu time spent up to now is 216.4 secs Computing kpt #: 214 total cpu time spent up to now is 217.3 secs Computing kpt #: 215 total cpu time spent up to now is 218.1 secs Computing kpt #: 216 total cpu time spent up to now is 219.0 secs Computing kpt #: 217 total cpu time spent up to now is 219.9 secs Computing kpt #: 218 total cpu time spent up to now is 220.7 secs Computing kpt #: 219 total cpu time spent up to now is 221.6 secs Computing kpt #: 220 total cpu time spent up to now is 222.4 secs Computing kpt #: 221 total cpu time spent up to now is 223.3 secs Computing kpt #: 222 total cpu time spent up to now is 224.2 secs Computing kpt #: 223 total cpu time spent up to now is 225.1 secs Computing kpt #: 224 total cpu time spent up to now is 225.9 secs Computing kpt #: 225 total cpu time spent up to now is 226.8 secs Computing kpt #: 226 total cpu time spent up to now is 227.8 secs Computing kpt #: 227 total cpu time spent up to now is 228.7 secs Computing kpt #: 228 total cpu time spent up to now is 229.6 secs Computing kpt #: 229 total cpu time spent up to now is 230.5 secs Computing kpt #: 230 total cpu time spent up to now is 231.4 secs Computing kpt #: 231 total cpu time spent up to now is 232.4 secs Computing kpt #: 232 total cpu time spent up to now is 233.3 secs Computing kpt #: 233 total cpu time spent up to now is 234.3 secs Computing kpt #: 234 total cpu time spent up to now is 235.2 secs Computing kpt #: 235 total cpu time spent up to now is 236.3 secs Computing kpt #: 236 total cpu time spent up to now is 237.4 secs Computing kpt #: 237 total cpu time spent up to now is 238.5 secs Computing kpt #: 238 total cpu time spent up to now is 239.5 secs Computing kpt #: 239 total cpu time spent up to now is 240.6 secs Computing kpt #: 240 total cpu time spent up to now is 241.7 secs ethr = 1.67E-08, avg # of iterations = 20.4 total cpu time spent up to now is 241.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7683 PWs) bands (ev): -15.5252 -15.5252 -15.3019 -15.3019 -12.8025 -12.8025 -12.7902 -12.7902 -12.7467 -12.7467 -12.5561 -12.5561 -9.5750 -9.5750 -9.5708 -9.5708 -9.2889 -9.2889 -9.1184 -9.1184 -7.9371 -7.9371 -7.5913 -7.5913 -6.4144 -6.4144 -6.2173 -6.2173 -4.9184 -4.9184 -4.9047 -4.9047 -4.7354 -4.7354 -4.6211 -4.6211 -4.5209 -4.5209 -4.3055 -4.3055 -3.0296 -3.0296 -2.7858 -2.7858 -2.6008 -2.6008 -2.5264 -2.5264 -2.2925 -2.2925 -2.1354 -2.1354 -0.8519 -0.8519 -0.4835 -0.4835 -0.3422 -0.3422 -0.1367 -0.1367 4.4569 4.4569 4.6632 4.6632 5.0024 5.0024 5.3944 5.3944 6.1705 6.1705 8.1442 8.1442 k = 0.0000 0.0000 0.0172 ( 7683 PWs) bands (ev): -15.5249 -15.5249 -15.3022 -15.3022 -12.8025 -12.8025 -12.7902 -12.7902 -12.7464 -12.7464 -12.5563 -12.5563 -9.5749 -9.5749 -9.5708 -9.5708 -9.2887 -9.2887 -9.1186 -9.1186 -7.9369 -7.9369 -7.5919 -7.5919 -6.4142 -6.4142 -6.2175 -6.2175 -4.9183 -4.9183 -4.9042 -4.9042 -4.7351 -4.7351 -4.6209 -4.6209 -4.5209 -4.5209 -4.3060 -4.3060 -3.0300 -3.0300 -2.7847 -2.7847 -2.6042 -2.6042 -2.5241 -2.5241 -2.2923 -2.2923 -2.1356 -2.1356 -0.8514 -0.8514 -0.4831 -0.4831 -0.3431 -0.3431 -0.1371 -0.1371 4.4575 4.4575 4.6637 4.6637 5.0020 5.0020 5.3934 5.3934 6.1723 6.1723 8.1408 8.1408 k = 0.0000 0.0000 0.0344 ( 7675 PWs) bands (ev): -15.5241 -15.5241 -15.3032 -15.3032 -12.8024 -12.8024 -12.7902 -12.7902 -12.7456 -12.7456 -12.5570 -12.5570 -9.5748 -9.5748 -9.5708 -9.5708 -9.2880 -9.2880 -9.1192 -9.1192 -7.9361 -7.9361 -7.5938 -7.5938 -6.4133 -6.4133 -6.2182 -6.2182 -4.9178 -4.9178 -4.9028 -4.9028 -4.7340 -4.7340 -4.6201 -4.6201 -4.5209 -4.5209 -4.3074 -4.3074 -3.0314 -3.0314 -2.7816 -2.7816 -2.6134 -2.6134 -2.5182 -2.5182 -2.2916 -2.2916 -2.1364 -2.1364 -0.8501 -0.8501 -0.4818 -0.4818 -0.3458 -0.3458 -0.1382 -0.1382 4.4593 4.4593 4.6653 4.6653 5.0010 5.0010 5.3903 5.3903 6.1778 6.1778 8.1307 8.1307 k = 0.0000 0.0000 0.0516 ( 7670 PWs) bands (ev): -15.5228 -15.5228 -15.3047 -15.3047 -12.8023 -12.8023 -12.7902 -12.7902 -12.7443 -12.7443 -12.5581 -12.5581 -9.5747 -9.5747 -9.5708 -9.5708 -9.2869 -9.2869 -9.1203 -9.1203 -7.9348 -7.9348 -7.5969 -7.5969 -6.4118 -6.4118 -6.2193 -6.2193 -4.9169 -4.9169 -4.9006 -4.9006 -4.7323 -4.7323 -4.6189 -4.6189 -4.5209 -4.5209 -4.3098 -4.3098 -3.0335 -3.0335 -2.7766 -2.7766 -2.6265 -2.6265 -2.5105 -2.5105 -2.2905 -2.2905 -2.1377 -2.1377 -0.8480 -0.8480 -0.4795 -0.4795 -0.3503 -0.3503 -0.1401 -0.1401 4.4621 4.4621 4.6678 4.6678 4.9994 4.9994 5.3852 5.3852 6.1869 6.1869 8.1138 8.1138 k = 0.0000 0.0000 0.0688 ( 7663 PWs) bands (ev): -15.5210 -15.5210 -15.3069 -15.3069 -12.8022 -12.8022 -12.7902 -12.7902 -12.7425 -12.7425 -12.5596 -12.5596 -9.5745 -9.5745 -9.5707 -9.5707 -9.2854 -9.2854 -9.1217 -9.1217 -7.9330 -7.9330 -7.6013 -7.6013 -6.4097 -6.4097 -6.2208 -6.2208 -4.9157 -4.9157 -4.8976 -4.8976 -4.7298 -4.7298 -4.6172 -4.6172 -4.5209 -4.5209 -4.3131 -4.3131 -3.0362 -3.0362 -2.7697 -2.7697 -2.6421 -2.6421 -2.5025 -2.5025 -2.2890 -2.2890 -2.1396 -2.1396 -0.8449 -0.8449 -0.4764 -0.4764 -0.3565 -0.3565 -0.1427 -0.1427 4.4661 4.4661 4.6712 4.6712 4.9972 4.9972 5.3782 5.3782 6.1996 6.1996 8.0901 8.0901 k = 0.0000 0.0000 0.0860 ( 7661 PWs) bands (ev): -15.5187 -15.5187 -15.3096 -15.3096 -12.8021 -12.8021 -12.7903 -12.7903 -12.7402 -12.7402 -12.5615 -12.5615 -9.5742 -9.5742 -9.5706 -9.5706 -9.2834 -9.2834 -9.1236 -9.1236 -7.9307 -7.9307 -7.6068 -7.6068 -6.4072 -6.4072 -6.2228 -6.2228 -4.9143 -4.9143 -4.8940 -4.8940 -4.7264 -4.7264 -4.6151 -4.6151 -4.5210 -4.5210 -4.3174 -4.3174 -3.0393 -3.0393 -2.7612 -2.7612 -2.6595 -2.6595 -2.4947 -2.4947 -2.2871 -2.2871 -2.1419 -2.1419 -0.8410 -0.8410 -0.4724 -0.4724 -0.3643 -0.3643 -0.1461 -0.1461 4.4712 4.4712 4.6754 4.6754 4.9946 4.9946 5.3693 5.3693 6.2159 6.2159 8.0597 8.0597 k = 0.0000 0.0000 0.1032 ( 7660 PWs) bands (ev): -15.5158 -15.5158 -15.3129 -15.3129 -12.8019 -12.8019 -12.7904 -12.7904 -12.7374 -12.7374 -12.5639 -12.5639 -9.5739 -9.5739 -9.5706 -9.5706 -9.2810 -9.2810 -9.1259 -9.1259 -7.9278 -7.9278 -7.6134 -7.6134 -6.4041 -6.4041 -6.2253 -6.2253 -4.9125 -4.9125 -4.8899 -4.8899 -4.7222 -4.7222 -4.6126 -4.6126 -4.5210 -4.5210 -4.3226 -4.3226 -3.0426 -3.0426 -2.7514 -2.7514 -2.6783 -2.6783 -2.4877 -2.4877 -2.2848 -2.2848 -2.1447 -2.1447 -0.8362 -0.8362 -0.4676 -0.4676 -0.3738 -0.3738 -0.1502 -0.1502 4.4773 4.4773 4.6803 4.6803 4.9916 4.9916 5.3586 5.3586 6.2358 6.2358 8.0227 8.0227 k = 0.0000 0.0000 0.1205 ( 7652 PWs) bands (ev): -15.5125 -15.5125 -15.3168 -15.3168 -12.8016 -12.8016 -12.7905 -12.7905 -12.7341 -12.7341 -12.5667 -12.5667 -9.5735 -9.5735 -9.5705 -9.5705 -9.2782 -9.2782 -9.1285 -9.1285 -7.9243 -7.9243 -7.6210 -7.6210 -6.4005 -6.4005 -6.2281 -6.2281 -4.9104 -4.9104 -4.8856 -4.8856 -4.7170 -4.7170 -4.6097 -4.6097 -4.5210 -4.5210 -4.3287 -4.3287 -3.0459 -3.0459 -2.7403 -2.7403 -2.6980 -2.6980 -2.4815 -2.4815 -2.2821 -2.2821 -2.1479 -2.1479 -0.8306 -0.8306 -0.4620 -0.4620 -0.3848 -0.3848 -0.1551 -0.1551 4.4845 4.4845 4.6857 4.6857 4.9884 4.9884 5.3464 5.3464 6.2591 6.2591 7.9794 7.9795 k = 0.0000 0.0000 0.1377 ( 7658 PWs) bands (ev): -15.5088 -15.5088 -15.3212 -15.3212 -12.8014 -12.8014 -12.7907 -12.7907 -12.7304 -12.7304 -12.5699 -12.5699 -9.5732 -9.5732 -9.5704 -9.5704 -9.2750 -9.2750 -9.1315 -9.1315 -7.9203 -7.9203 -7.6297 -7.6297 -6.3964 -6.3964 -6.2314 -6.2314 -4.9081 -4.9081 -4.8811 -4.8811 -4.7108 -4.7108 -4.6064 -4.6064 -4.5210 -4.5210 -4.3356 -4.3356 -3.0491 -3.0491 -2.7282 -2.7282 -2.7185 -2.7185 -2.4764 -2.4764 -2.2791 -2.2791 -2.1514 -2.1514 -0.8241 -0.8241 -0.4555 -0.4555 -0.3971 -0.3971 -0.1608 -0.1608 4.4926 4.4926 4.6915 4.6915 4.9852 4.9852 5.3326 5.3326 6.2859 6.2859 7.9304 7.9304 k = 0.0000 0.0000 0.1549 ( 7657 PWs) bands (ev): -15.5045 -15.5045 -15.3261 -15.3261 -12.8011 -12.8011 -12.7908 -12.7908 -12.7262 -12.7262 -12.5735 -12.5735 -9.5728 -9.5728 -9.5703 -9.5703 -9.2715 -9.2715 -9.1349 -9.1349 -7.9157 -7.9157 -7.6392 -7.6392 -6.3919 -6.3919 -6.2351 -6.2351 -4.9055 -4.9055 -4.8767 -4.8767 -4.7035 -4.7035 -4.6029 -4.6029 -4.5211 -4.5211 -4.3435 -4.3435 -3.0518 -3.0518 -2.7397 -2.7397 -2.7152 -2.7152 -2.4724 -2.4724 -2.2757 -2.2757 -2.1553 -2.1553 -0.8167 -0.8167 -0.4482 -0.4482 -0.4108 -0.4108 -0.1671 -0.1671 4.5017 4.5017 4.6972 4.6972 4.9822 4.9822 5.3174 5.3174 6.3161 6.3161 7.8762 7.8762 k = 0.0000 0.0000 0.1721 ( 7657 PWs) bands (ev): -15.4999 -15.4999 -15.3314 -15.3314 -12.8008 -12.8008 -12.7911 -12.7911 -12.7216 -12.7216 -12.5775 -12.5775 -9.5724 -9.5724 -9.5701 -9.5701 -9.2676 -9.2676 -9.1386 -9.1386 -7.9105 -7.9105 -7.6495 -7.6495 -6.3869 -6.3869 -6.2391 -6.2391 -4.9028 -4.9028 -4.8725 -4.8725 -4.6950 -4.6950 -4.5991 -4.5991 -4.5211 -4.5211 -4.3521 -4.3521 -3.0539 -3.0539 -2.7612 -2.7612 -2.7015 -2.7015 -2.4695 -2.4695 -2.2722 -2.2722 -2.1596 -2.1596 -0.8084 -0.8084 -0.4402 -0.4402 -0.4256 -0.4256 -0.1742 -0.1742 4.5116 4.5116 4.7028 4.7028 4.9797 4.9797 5.3011 5.3011 6.3495 6.3495 7.8174 7.8174 k = 0.0000 0.0000 0.1893 ( 7663 PWs) bands (ev): -15.4948 -15.4948 -15.3372 -15.3372 -12.8005 -12.8005 -12.7913 -12.7913 -12.7167 -12.7167 -12.5818 -12.5818 -9.5720 -9.5720 -9.5700 -9.5700 -9.2634 -9.2634 -9.1427 -9.1427 -7.9046 -7.9046 -7.6605 -7.6605 -6.3816 -6.3816 -6.2435 -6.2435 -4.8998 -4.8998 -4.8688 -4.8688 -4.6855 -4.6855 -4.5952 -4.5952 -4.5211 -4.5211 -4.3615 -4.3615 -3.0553 -3.0553 -2.7830 -2.7830 -2.6873 -2.6873 -2.4679 -2.4679 -2.2683 -2.2683 -2.1640 -2.1640 -0.7992 -0.7992 -0.4414 -0.4414 -0.4315 -0.4315 -0.1820 -0.1820 4.5223 4.5223 4.7078 4.7078 4.9781 4.9781 5.2838 5.2838 6.3863 6.3863 7.7547 7.7547 k = 0.0000 0.0000 0.2065 ( 7664 PWs) bands (ev): -15.4893 -15.4893 -15.3434 -15.3434 -12.8001 -12.8001 -12.7916 -12.7916 -12.7113 -12.7113 -12.5864 -12.5864 -9.5716 -9.5716 -9.5699 -9.5699 -9.2588 -9.2588 -9.1470 -9.1470 -7.8981 -7.8981 -7.6721 -7.6721 -6.3760 -6.3760 -6.2483 -6.2483 -4.8967 -4.8967 -4.8656 -4.8656 -4.6749 -4.6749 -4.5911 -4.5911 -4.5212 -4.5212 -4.3717 -4.3717 -3.0559 -3.0559 -2.8049 -2.8049 -2.6728 -2.6728 -2.4675 -2.4675 -2.2643 -2.2643 -2.1687 -2.1687 -0.7891 -0.7891 -0.4581 -0.4581 -0.4221 -0.4221 -0.1905 -0.1905 4.5337 4.5337 4.7119 4.7119 4.9775 4.9775 5.2656 5.2656 6.4262 6.4262 7.6888 7.6888 k = 0.0000 0.0000 0.2237 ( 7664 PWs) bands (ev): -15.4834 -15.4834 -15.3499 -15.3499 -12.7997 -12.7997 -12.7919 -12.7919 -12.7057 -12.7057 -12.5914 -12.5914 -9.5713 -9.5713 -9.5698 -9.5698 -9.2540 -9.2540 -9.1517 -9.1517 -7.8910 -7.8910 -7.6842 -7.6842 -6.3700 -6.3700 -6.2533 -6.2533 -4.8935 -4.8935 -4.8630 -4.8630 -4.6634 -4.6634 -4.5870 -4.5870 -4.5212 -4.5212 -4.3826 -4.3826 -3.0555 -3.0555 -2.8266 -2.8266 -2.6579 -2.6579 -2.4684 -2.4684 -2.2600 -2.2600 -2.1734 -2.1734 -0.7782 -0.7782 -0.4756 -0.4756 -0.4121 -0.4121 -0.1997 -0.1997 4.5457 4.5457 4.7148 4.7148 4.9784 4.9784 5.2467 5.2467 6.4693 6.4693 7.6205 7.6205 k = 0.0000 0.0000 0.2409 ( 7671 PWs) bands (ev): -15.4772 -15.4772 -15.3568 -15.3568 -12.7993 -12.7993 -12.7922 -12.7922 -12.6998 -12.6998 -12.5967 -12.5967 -9.5709 -9.5709 -9.5697 -9.5697 -9.2489 -9.2489 -9.1566 -9.1566 -7.8833 -7.8833 -7.6967 -7.6967 -6.3639 -6.3639 -6.2587 -6.2587 -4.8902 -4.8902 -4.8610 -4.8610 -4.6510 -4.6510 -4.5830 -4.5830 -4.5212 -4.5212 -4.3942 -4.3942 -3.0539 -3.0539 -2.8481 -2.8481 -2.6429 -2.6429 -2.4706 -2.4706 -2.2557 -2.2557 -2.1783 -2.1783 -0.7664 -0.7664 -0.4936 -0.4936 -0.4015 -0.4015 -0.2094 -0.2094 4.5583 4.5583 4.7162 4.7162 4.9811 4.9811 5.2272 5.2272 6.5154 6.5154 7.5503 7.5503 k = 0.0000 0.0000 0.2581 ( 7667 PWs) bands (ev): -15.4707 -15.4707 -15.3639 -15.3639 -12.7989 -12.7989 -12.7926 -12.7926 -12.6936 -12.6936 -12.6023 -12.6023 -9.5706 -9.5706 -9.5696 -9.5696 -9.2436 -9.2436 -9.1617 -9.1617 -7.8750 -7.8750 -7.7096 -7.7096 -6.3574 -6.3574 -6.2643 -6.2643 -4.8869 -4.8869 -4.8597 -4.8597 -4.6380 -4.6380 -4.5790 -4.5790 -4.5212 -4.5212 -4.4064 -4.4064 -3.0511 -3.0511 -2.8692 -2.8692 -2.6279 -2.6279 -2.4741 -2.4741 -2.2511 -2.2511 -2.1833 -2.1833 -0.7538 -0.7538 -0.5122 -0.5122 -0.3904 -0.3904 -0.2198 -0.2198 4.5713 4.5713 4.7157 4.7157 4.9857 4.9857 5.2074 5.2074 6.5645 6.5645 7.4788 7.4788 k = 0.0000 0.0000 0.2753 ( 7661 PWs) bands (ev): -15.4638 -15.4638 -15.3713 -15.3713 -12.7985 -12.7985 -12.7930 -12.7930 -12.6873 -12.6873 -12.6081 -12.6081 -9.5703 -9.5703 -9.5695 -9.5695 -9.2380 -9.2380 -9.1671 -9.1671 -7.8660 -7.8660 -7.7226 -7.7226 -6.3508 -6.3508 -6.2702 -6.2702 -4.8836 -4.8836 -4.8590 -4.8590 -4.6247 -4.6247 -4.5752 -4.5752 -4.5209 -4.5209 -4.4190 -4.4190 -3.0470 -3.0470 -2.8897 -2.8897 -2.6129 -2.6129 -2.4788 -2.4788 -2.2465 -2.2465 -2.1883 -2.1883 -0.7403 -0.7403 -0.5310 -0.5310 -0.3788 -0.3788 -0.2307 -0.2307 4.5846 4.5846 4.7134 4.7134 4.9924 4.9924 5.1873 5.1873 6.6165 6.6165 7.4065 7.4065 k = 0.0000 0.0000 0.2925 ( 7666 PWs) bands (ev): -15.4567 -15.4567 -15.3789 -15.3789 -12.7980 -12.7980 -12.7934 -12.7934 -12.6807 -12.6807 -12.6141 -12.6141 -9.5700 -9.5700 -9.5694 -9.5694 -9.2323 -9.2323 -9.1726 -9.1726 -7.8564 -7.8564 -7.7358 -7.7358 -6.3440 -6.3440 -6.2763 -6.2763 -4.8802 -4.8802 -4.8589 -4.8589 -4.6114 -4.6114 -4.5718 -4.5718 -4.5202 -4.5202 -4.4321 -4.4321 -3.0416 -3.0416 -2.9095 -2.9095 -2.5982 -2.5982 -2.4848 -2.4848 -2.2419 -2.2419 -2.1933 -2.1933 -0.7260 -0.7260 -0.5501 -0.5501 -0.3669 -0.3669 -0.2421 -0.2421 4.5981 4.5981 4.7091 4.7091 5.0012 5.0012 5.1672 5.1672 6.6712 6.6712 7.3341 7.3341 k = 0.0000 0.0000 0.3097 ( 7665 PWs) bands (ev): -15.4494 -15.4494 -15.3867 -15.3867 -12.7976 -12.7976 -12.7938 -12.7938 -12.6741 -12.6741 -12.6204 -12.6204 -9.5698 -9.5698 -9.5693 -9.5693 -9.2265 -9.2265 -9.1784 -9.1784 -7.8462 -7.8462 -7.7490 -7.7490 -6.3372 -6.3372 -6.2826 -6.2826 -4.8770 -4.8770 -4.8593 -4.8593 -4.5986 -4.5986 -4.5688 -4.5688 -4.5189 -4.5189 -4.4454 -4.4454 -3.0347 -3.0347 -2.9283 -2.9283 -2.5837 -2.5837 -2.4919 -2.4919 -2.2372 -2.2372 -2.1982 -2.1982 -0.7109 -0.7109 -0.5692 -0.5692 -0.3546 -0.3546 -0.2538 -0.2538 4.6117 4.6117 4.7029 4.7029 5.0120 5.0120 5.1472 5.1472 6.7286 6.7286 7.2617 7.2617 k = 0.0000 0.0000 0.3269 ( 7671 PWs) bands (ev): -15.4419 -15.4419 -15.3946 -15.3946 -12.7971 -12.7971 -12.7943 -12.7943 -12.6673 -12.6673 -12.6268 -12.6268 -9.5696 -9.5696 -9.5693 -9.5693 -9.2205 -9.2205 -9.1842 -9.1842 -7.8355 -7.8355 -7.7622 -7.7622 -6.3302 -6.3302 -6.2891 -6.2891 -4.8739 -4.8739 -4.8603 -4.8603 -4.5869 -4.5869 -4.5664 -4.5664 -4.5164 -4.5164 -4.4588 -4.4588 -3.0264 -3.0264 -2.9462 -2.9462 -2.5697 -2.5697 -2.5002 -2.5002 -2.2324 -2.2324 -2.2032 -2.2032 -0.6951 -0.6951 -0.5882 -0.5882 -0.3421 -0.3421 -0.2660 -0.2660 4.6253 4.6253 4.6951 4.6951 5.0246 5.0246 5.1275 5.1275 6.7885 6.7885 7.1900 7.1900 k = 0.0000 0.0000 0.3442 ( 7672 PWs) bands (ev): -15.4342 -15.4342 -15.4025 -15.4025 -12.7966 -12.7966 -12.7947 -12.7947 -12.6605 -12.6605 -12.6334 -12.6334 -9.5695 -9.5695 -9.5692 -9.5692 -9.2145 -9.2145 -9.1902 -9.1902 -7.8243 -7.8243 -7.7752 -7.7752 -6.3233 -6.3233 -6.2958 -6.2958 -4.8709 -4.8709 -4.8617 -4.8617 -4.5773 -4.5773 -4.5649 -4.5649 -4.5120 -4.5120 -4.4720 -4.4720 -3.0165 -3.0165 -2.9629 -2.9629 -2.5562 -2.5562 -2.5096 -2.5096 -2.2276 -2.2276 -2.2081 -2.2081 -0.6786 -0.6786 -0.6071 -0.6071 -0.3294 -0.3294 -0.2784 -0.2784 4.6386 4.6386 4.6858 4.6858 5.0389 5.0389 5.1082 5.1082 6.8507 6.8507 7.1192 7.1192 k = 0.0000 0.0000 0.3614 ( 7667 PWs) bands (ev): -15.4263 -15.4263 -15.4105 -15.4105 -12.7962 -12.7962 -12.7952 -12.7952 -12.6537 -12.6537 -12.6401 -12.6401 -9.5694 -9.5694 -9.5692 -9.5692 -9.2084 -9.2084 -9.1962 -9.1962 -7.8126 -7.8126 -7.7880 -7.7880 -6.3163 -6.3163 -6.3025 -6.3025 -4.8682 -4.8682 -4.8635 -4.8635 -4.5703 -4.5703 -4.5647 -4.5647 -4.5052 -4.5052 -4.4846 -4.4846 -3.0052 -3.0052 -2.9784 -2.9784 -2.5434 -2.5434 -2.5200 -2.5200 -2.2228 -2.2228 -2.2130 -2.2130 -0.6615 -0.6615 -0.6256 -0.6256 -0.3166 -0.3166 -0.2910 -0.2910 4.6515 4.6515 4.6753 4.6753 5.0546 5.0546 5.0895 5.0895 6.9151 6.9151 7.0495 7.0495 k = 0.0000 0.0000 0.3786 ( 7662 PWs) bands (ev): -15.4184 -15.4184 -15.4184 -15.4184 -12.7957 -12.7957 -12.7957 -12.7957 -12.6468 -12.6468 -12.6468 -12.6468 -9.5693 -9.5693 -9.5693 -9.5693 -9.2023 -9.2023 -9.2023 -9.2023 -7.8004 -7.8004 -7.8004 -7.8004 -6.3094 -6.3094 -6.3094 -6.3094 -4.8657 -4.8657 -4.8657 -4.8657 -4.5662 -4.5662 -4.5662 -4.5662 -4.4959 -4.4959 -4.4959 -4.4959 -2.9925 -2.9925 -2.9925 -2.9925 -2.5312 -2.5312 -2.5312 -2.5312 -2.2179 -2.2179 -2.2179 -2.2179 -0.6438 -0.6438 -0.6438 -0.6438 -0.3038 -0.3038 -0.3038 -0.3038 4.6638 4.6638 4.6638 4.6638 5.0716 5.0716 5.0716 5.0716 6.9814 6.9814 6.9814 6.9814 k = 0.0000 0.0000 0.3786 ( 7662 PWs) bands (ev): -15.4184 -15.4184 -15.4184 -15.4184 -12.7957 -12.7957 -12.7957 -12.7957 -12.6468 -12.6468 -12.6468 -12.6468 -9.5693 -9.5693 -9.5693 -9.5693 -9.2023 -9.2023 -9.2023 -9.2023 -7.8004 -7.8004 -7.8004 -7.8004 -6.3094 -6.3094 -6.3094 -6.3094 -4.8657 -4.8657 -4.8657 -4.8657 -4.5662 -4.5662 -4.5662 -4.5662 -4.4959 -4.4959 -4.4959 -4.4959 -2.9925 -2.9925 -2.9925 -2.9925 -2.5312 -2.5312 -2.5312 -2.5312 -2.2179 -2.2179 -2.2179 -2.2179 -0.6438 -0.6438 -0.6438 -0.6438 -0.3038 -0.3038 -0.3038 -0.3038 4.6638 4.6638 4.6638 4.6638 5.0716 5.0716 5.0716 5.0716 6.9814 6.9814 6.9814 6.9814 k = 0.0000 0.0168 0.3786 ( 7675 PWs) bands (ev): -15.4183 -15.4183 -15.4183 -15.4183 -12.7998 -12.7998 -12.7926 -12.7926 -12.6498 -12.6498 -12.6436 -12.6436 -9.5703 -9.5703 -9.5679 -9.5679 -9.2043 -9.2043 -9.2007 -9.2007 -7.8157 -7.8157 -7.7842 -7.7842 -6.3210 -6.3210 -6.2971 -6.2971 -4.8678 -4.8678 -4.8641 -4.8641 -4.5679 -4.5679 -4.5656 -4.5656 -4.5100 -4.5100 -4.4815 -4.4815 -2.9951 -2.9951 -2.9911 -2.9911 -2.5338 -2.5338 -2.5287 -2.5287 -2.2181 -2.2181 -2.2175 -2.2175 -0.6495 -0.6495 -0.6367 -0.6367 -0.3040 -0.3040 -0.3030 -0.3030 4.6553 4.6553 4.6736 4.6736 5.0690 5.0690 5.0728 5.0728 6.9812 6.9812 6.9838 6.9838 k = 0.0000 0.0336 0.3786 ( 7684 PWs) bands (ev): -15.4179 -15.4179 -15.4178 -15.4178 -12.8050 -12.8050 -12.7905 -12.7905 -12.6523 -12.6523 -12.6401 -12.6401 -9.5708 -9.5708 -9.5660 -9.5660 -9.2068 -9.2068 -9.1996 -9.1996 -7.8299 -7.8299 -7.7672 -7.7672 -6.3319 -6.3319 -6.2843 -6.2843 -4.8703 -4.8703 -4.8631 -4.8631 -4.5710 -4.5710 -4.5656 -4.5656 -4.5232 -4.5232 -4.4671 -4.4671 -2.9989 -2.9989 -2.9909 -2.9909 -2.5364 -2.5364 -2.5260 -2.5260 -2.2181 -2.2181 -2.2169 -2.2169 -0.6540 -0.6540 -0.6282 -0.6282 -0.3037 -0.3037 -0.3015 -0.3015 4.6483 4.6483 4.6847 4.6847 5.0654 5.0654 5.0726 5.0726 6.9831 6.9831 6.9881 6.9881 k = 0.0000 0.0504 0.3786 ( 7677 PWs) bands (ev): -15.4173 -15.4173 -15.4171 -15.4171 -12.8113 -12.8113 -12.7894 -12.7894 -12.6543 -12.6543 -12.6366 -12.6366 -9.5708 -9.5708 -9.5638 -9.5638 -9.2097 -9.2097 -9.1989 -9.1989 -7.8430 -7.8430 -7.7494 -7.7494 -6.3419 -6.3419 -6.2709 -6.2709 -4.8732 -4.8732 -4.8628 -4.8628 -4.5763 -4.5763 -4.5662 -4.5662 -4.5344 -4.5344 -4.4530 -4.4530 -3.0040 -3.0040 -2.9917 -2.9917 -2.5392 -2.5392 -2.5232 -2.5232 -2.2179 -2.2179 -2.2162 -2.2162 -0.6573 -0.6573 -0.6182 -0.6182 -0.3029 -0.3029 -0.2994 -0.2994 4.6427 4.6427 4.6969 4.6969 5.0609 5.0609 5.0708 5.0708 6.9874 6.9874 6.9944 6.9944 k = 0.0000 0.0672 0.3786 ( 7684 PWs) bands (ev): -15.4165 -15.4165 -15.4161 -15.4161 -12.8187 -12.8187 -12.7890 -12.7890 -12.6558 -12.6558 -12.6330 -12.6330 -9.5704 -9.5704 -9.5612 -9.5612 -9.2130 -9.2130 -9.1986 -9.1986 -7.8549 -7.8549 -7.7309 -7.7309 -6.3512 -6.3512 -6.2571 -6.2571 -4.8763 -4.8763 -4.8632 -4.8632 -4.5845 -4.5845 -4.5675 -4.5675 -4.5429 -4.5429 -4.4395 -4.4395 -3.0103 -3.0103 -2.9934 -2.9934 -2.5421 -2.5421 -2.5202 -2.5202 -2.2173 -2.2173 -2.2155 -2.2155 -0.6596 -0.6596 -0.6067 -0.6067 -0.3017 -0.3017 -0.2963 -0.2963 4.6385 4.6385 4.7099 4.7099 5.0561 5.0561 5.0674 5.0674 6.9939 6.9939 7.0025 7.0025 k = 0.0000 0.0840 0.3786 ( 7676 PWs) bands (ev): -15.4154 -15.4154 -15.4148 -15.4148 -12.8270 -12.8270 -12.7893 -12.7893 -12.6568 -12.6568 -12.6296 -12.6296 -9.5696 -9.5696 -9.5583 -9.5583 -9.2166 -9.2166 -9.1987 -9.1987 -7.8657 -7.8657 -7.7119 -7.7119 -6.3596 -6.3596 -6.2429 -6.2429 -4.8797 -4.8797 -4.8645 -4.8645 -4.5954 -4.5954 -4.5692 -4.5692 -4.5485 -4.5485 -4.4265 -4.4265 -3.0177 -3.0177 -2.9959 -2.9959 -2.5453 -2.5453 -2.5170 -2.5170 -2.2165 -2.2165 -2.2147 -2.2147 -0.6612 -0.6612 -0.5939 -0.5939 -0.3001 -0.3001 -0.2924 -0.2924 4.6357 4.6357 4.7232 4.7232 5.0513 5.0513 5.0624 5.0624 7.0029 7.0029 7.0122 7.0122 k = 0.0000 0.1008 0.3786 ( 7664 PWs) bands (ev): -15.4141 -15.4141 -15.4132 -15.4132 -12.8363 -12.8363 -12.7903 -12.7903 -12.6572 -12.6572 -12.6264 -12.6264 -9.5682 -9.5682 -9.5552 -9.5552 -9.2205 -9.2205 -9.1991 -9.1991 -7.8751 -7.8751 -7.6925 -7.6925 -6.3671 -6.3671 -6.2285 -6.2285 -4.8831 -4.8831 -4.8668 -4.8668 -4.6079 -4.6079 -4.5716 -4.5716 -4.5522 -4.5522 -4.4143 -4.4143 -3.0261 -3.0261 -2.9991 -2.9991 -2.5487 -2.5487 -2.5137 -2.5137 -2.2155 -2.2155 -2.2140 -2.2140 -0.6621 -0.6621 -0.5798 -0.5798 -0.2980 -0.2980 -0.2874 -0.2874 4.6342 4.6342 4.7363 4.7363 5.0472 5.0472 5.0559 5.0559 7.0144 7.0144 7.0236 7.0236 k = 0.0000 0.1176 0.3786 ( 7673 PWs) bands (ev): -15.4127 -15.4127 -15.4113 -15.4113 -12.8463 -12.8463 -12.7918 -12.7918 -12.6572 -12.6572 -12.6236 -12.6236 -9.5665 -9.5665 -9.5519 -9.5519 -9.2248 -9.2248 -9.1999 -9.1999 -7.8833 -7.8833 -7.6729 -7.6729 -6.3737 -6.3737 -6.2140 -6.2140 -4.8867 -4.8867 -4.8700 -4.8700 -4.6211 -4.6211 -4.5745 -4.5745 -4.5547 -4.5547 -4.4029 -4.4029 -3.0355 -3.0355 -3.0026 -3.0026 -2.5525 -2.5525 -2.5101 -2.5101 -2.2145 -2.2145 -2.2132 -2.2132 -0.6627 -0.6627 -0.5647 -0.5647 -0.2953 -0.2953 -0.2814 -0.2814 4.6338 4.6338 4.7486 4.7486 5.0445 5.0445 5.0480 5.0480 7.0283 7.0283 7.0365 7.0365 k = 0.0000 0.1343 0.3786 ( 7680 PWs) bands (ev): -15.4112 -15.4112 -15.4091 -15.4091 -12.8569 -12.8569 -12.7938 -12.7938 -12.6568 -12.6568 -12.6210 -12.6210 -9.5644 -9.5644 -9.5484 -9.5484 -9.2292 -9.2292 -9.2010 -9.2010 -7.8902 -7.8902 -7.6531 -7.6531 -6.3794 -6.3794 -6.1995 -6.1995 -4.8902 -4.8902 -4.8741 -4.8741 -4.6342 -4.6342 -4.5779 -4.5779 -4.5567 -4.5567 -4.3924 -4.3924 -3.0455 -3.0455 -3.0065 -3.0065 -2.5565 -2.5565 -2.5064 -2.5064 -2.2139 -2.2139 -2.2120 -2.2120 -0.6631 -0.6631 -0.5488 -0.5488 -0.2920 -0.2920 -0.2742 -0.2742 4.6344 4.6344 4.7592 4.7592 5.0388 5.0388 5.0440 5.0440 7.0449 7.0449 7.0507 7.0507 k = 0.0000 0.1511 0.3786 ( 7678 PWs) bands (ev): -15.4096 -15.4096 -15.4066 -15.4066 -12.8680 -12.8680 -12.7963 -12.7963 -12.6560 -12.6560 -12.6189 -12.6189 -9.5619 -9.5619 -9.5449 -9.5449 -9.2338 -9.2338 -9.2023 -9.2023 -7.8958 -7.8958 -7.6335 -7.6335 -6.3842 -6.3842 -6.1851 -6.1851 -4.8937 -4.8937 -4.8793 -4.8793 -4.6469 -4.6469 -4.5819 -4.5819 -4.5582 -4.5582 -4.3828 -4.3828 -3.0562 -3.0562 -3.0106 -3.0106 -2.5608 -2.5608 -2.5025 -2.5025 -2.2137 -2.2137 -2.2103 -2.2103 -0.6635 -0.6635 -0.5324 -0.5324 -0.2879 -0.2879 -0.2660 -0.2660 4.6357 4.6357 4.7674 4.7674 5.0285 5.0285 5.0467 5.0467 7.0640 7.0640 7.0661 7.0661 k = 0.0000 0.1679 0.3786 ( 7676 PWs) bands (ev): -15.4079 -15.4079 -15.4039 -15.4039 -12.8795 -12.8795 -12.7991 -12.7991 -12.6549 -12.6549 -12.6172 -12.6172 -9.5591 -9.5591 -9.5414 -9.5414 -9.2386 -9.2386 -9.2038 -9.2038 -7.9000 -7.9000 -7.6141 -7.6141 -6.3880 -6.3880 -6.1708 -6.1708 -4.8970 -4.8970 -4.8855 -4.8855 -4.6589 -4.6589 -4.5864 -4.5864 -4.5596 -4.5596 -4.3742 -4.3742 -3.0673 -3.0673 -3.0146 -3.0146 -2.5653 -2.5653 -2.4987 -2.4987 -2.2139 -2.2139 -2.2085 -2.2085 -0.6639 -0.6639 -0.5158 -0.5158 -0.2828 -0.2828 -0.2567 -0.2567 4.6376 4.6376 4.7724 4.7724 5.0174 5.0174 5.0531 5.0531 7.0827 7.0827 7.0858 7.0858 k = 0.0000 0.1847 0.3786 ( 7678 PWs) bands (ev): -15.4061 -15.4061 -15.4010 -15.4010 -12.8911 -12.8911 -12.8022 -12.8022 -12.6536 -12.6536 -12.6160 -12.6160 -9.5560 -9.5560 -9.5380 -9.5380 -9.2433 -9.2433 -9.2054 -9.2054 -7.9030 -7.9030 -7.5951 -7.5951 -6.3910 -6.3910 -6.1570 -6.1570 -4.9003 -4.9003 -4.8924 -4.8924 -4.6700 -4.6700 -4.5915 -4.5915 -4.5607 -4.5607 -4.3667 -4.3667 -3.0786 -3.0786 -3.0184 -3.0184 -2.5699 -2.5699 -2.4948 -2.4948 -2.2144 -2.2144 -2.2065 -2.2065 -0.6645 -0.6645 -0.4993 -0.4993 -0.2765 -0.2765 -0.2464 -0.2464 4.6399 4.6399 4.7740 4.7740 5.0059 5.0059 5.0637 5.0637 7.1003 7.1003 7.1103 7.1103 k = 0.0000 0.2015 0.3786 ( 7673 PWs) bands (ev): -15.4044 -15.4044 -15.3978 -15.3978 -12.9028 -12.9028 -12.8056 -12.8056 -12.6520 -12.6520 -12.6152 -12.6152 -9.5527 -9.5527 -9.5348 -9.5348 -9.2481 -9.2481 -9.2070 -9.2070 -7.9047 -7.9047 -7.5767 -7.5767 -6.3931 -6.3931 -6.1436 -6.1436 -4.9033 -4.9033 -4.9000 -4.9000 -4.6803 -4.6803 -4.5971 -4.5971 -4.5617 -4.5617 -4.3602 -4.3602 -3.0900 -3.0900 -3.0220 -3.0220 -2.5747 -2.5747 -2.4910 -2.4910 -2.2152 -2.2152 -2.2044 -2.2044 -0.6654 -0.6654 -0.4835 -0.4835 -0.2688 -0.2688 -0.2353 -0.2353 4.6422 4.6422 4.7721 4.7721 4.9941 4.9941 5.0783 5.0783 7.1188 7.1188 7.1374 7.1374 k = 0.0000 0.2183 0.3786 ( 7671 PWs) bands (ev): -15.4027 -15.4027 -15.3944 -15.3944 -12.9145 -12.9145 -12.8093 -12.8093 -12.6502 -12.6502 -12.6148 -12.6148 -9.5491 -9.5491 -9.5317 -9.5317 -9.2528 -9.2528 -9.2088 -9.2088 -7.9052 -7.9052 -7.5591 -7.5591 -6.3943 -6.3943 -6.1308 -6.1308 -4.9081 -4.9081 -4.9060 -4.9060 -4.6897 -4.6897 -4.6032 -4.6032 -4.5625 -4.5625 -4.3547 -4.3547 -3.1014 -3.1014 -3.0252 -3.0252 -2.5795 -2.5795 -2.4874 -2.4874 -2.2162 -2.2162 -2.2023 -2.2023 -0.6667 -0.6667 -0.4685 -0.4685 -0.2595 -0.2595 -0.2236 -0.2236 4.6442 4.6442 4.7671 4.7671 4.9826 4.9826 5.0963 5.0963 7.1380 7.1380 7.1671 7.1671 k = 0.0000 0.2351 0.3786 ( 7669 PWs) bands (ev): -15.4011 -15.4011 -15.3908 -15.3908 -12.9259 -12.9259 -12.8132 -12.8132 -12.6483 -12.6483 -12.6149 -12.6149 -9.5454 -9.5454 -9.5289 -9.5289 -9.2574 -9.2574 -9.2105 -9.2105 -7.9044 -7.9044 -7.5425 -7.5425 -6.3947 -6.3947 -6.1187 -6.1187 -4.9163 -4.9163 -4.9085 -4.9085 -4.6982 -4.6982 -4.6097 -4.6097 -4.5633 -4.5633 -4.3504 -4.3504 -3.1127 -3.1127 -3.0278 -3.0278 -2.5842 -2.5842 -2.4841 -2.4841 -2.2175 -2.2175 -2.2002 -2.2002 -0.6682 -0.6682 -0.4549 -0.4549 -0.2486 -0.2486 -0.2113 -0.2113 4.6457 4.6457 4.7598 4.7598 4.9718 4.9718 5.1172 5.1172 7.1579 7.1579 7.1995 7.1995 k = 0.0000 0.2519 0.3786 ( 7677 PWs) bands (ev): -15.3996 -15.3996 -15.3870 -15.3870 -12.9370 -12.9370 -12.8172 -12.8172 -12.6463 -12.6463 -12.6153 -12.6153 -9.5416 -9.5416 -9.5263 -9.5263 -9.2617 -9.2617 -9.2123 -9.2123 -7.9025 -7.9025 -7.5270 -7.5270 -6.3943 -6.3943 -6.1074 -6.1074 -4.9245 -4.9245 -4.9106 -4.9106 -4.7060 -4.7060 -4.6167 -4.6167 -4.5640 -4.5640 -4.3473 -4.3473 -3.1236 -3.1236 -3.0298 -3.0298 -2.5888 -2.5888 -2.4810 -2.4810 -2.2191 -2.2191 -2.1983 -2.1983 -0.6701 -0.6701 -0.4426 -0.4426 -0.2359 -0.2359 -0.1987 -0.1987 4.6462 4.6462 4.7507 4.7507 4.9621 4.9621 5.1401 5.1401 7.1781 7.1781 7.2345 7.2345 k = 0.0000 0.2687 0.3786 ( 7667 PWs) bands (ev): -15.3982 -15.3982 -15.3831 -15.3831 -12.9476 -12.9476 -12.8213 -12.8213 -12.6442 -12.6442 -12.6162 -12.6162 -9.5378 -9.5378 -9.5241 -9.5241 -9.2658 -9.2658 -9.2140 -9.2140 -7.8994 -7.8994 -7.5129 -7.5129 -6.3931 -6.3931 -6.0970 -6.0970 -4.9323 -4.9323 -4.9124 -4.9124 -4.7131 -4.7131 -4.6239 -4.6239 -4.5645 -4.5645 -4.3453 -4.3453 -3.1342 -3.1342 -3.0311 -3.0311 -2.5933 -2.5933 -2.4784 -2.4784 -2.2208 -2.2208 -2.1963 -2.1963 -0.6724 -0.6724 -0.4319 -0.4319 -0.2216 -0.2216 -0.1861 -0.1861 4.6455 4.6455 4.7404 4.7404 4.9539 4.9539 5.1642 5.1642 7.1987 7.1987 7.2720 7.2720 k = 0.0000 0.2855 0.3786 ( 7668 PWs) bands (ev): -15.3971 -15.3971 -15.3791 -15.3791 -12.9576 -12.9576 -12.8255 -12.8255 -12.6420 -12.6420 -12.6174 -12.6174 -9.5339 -9.5339 -9.5223 -9.5223 -9.2696 -9.2696 -9.2157 -9.2157 -7.8953 -7.8953 -7.5003 -7.5003 -6.3912 -6.3912 -6.0877 -6.0877 -4.9395 -4.9395 -4.9138 -4.9138 -4.7195 -4.7195 -4.6314 -4.6314 -4.5651 -4.5651 -4.3444 -4.3444 -3.1444 -3.1444 -3.0316 -3.0316 -2.5974 -2.5974 -2.4762 -2.4762 -2.2226 -2.2226 -2.1946 -2.1946 -0.6750 -0.6750 -0.4226 -0.4226 -0.2061 -0.2061 -0.1737 -0.1737 4.6433 4.6433 4.7296 4.7296 4.9477 4.9477 5.1888 5.1888 7.2193 7.2193 7.3121 7.3121 k = 0.0000 0.3023 0.3786 ( 7671 PWs) bands (ev): -15.3961 -15.3961 -15.3749 -15.3749 -12.9670 -12.9670 -12.8298 -12.8298 -12.6398 -12.6398 -12.6189 -12.6189 -9.5300 -9.5300 -9.5207 -9.5207 -9.2731 -9.2731 -9.2174 -9.2174 -7.8902 -7.8902 -7.4894 -7.4894 -6.3886 -6.3886 -6.0795 -6.0795 -4.9458 -4.9458 -4.9148 -4.9148 -4.7254 -4.7254 -4.6391 -4.6391 -4.5655 -4.5655 -4.3447 -4.3447 -3.1540 -3.1540 -3.0313 -3.0313 -2.6012 -2.6012 -2.4746 -2.4746 -2.2245 -2.2245 -2.1930 -2.1930 -0.6779 -0.6779 -0.4146 -0.4146 -0.1895 -0.1895 -0.1616 -0.1616 4.6395 4.6395 4.7186 4.7186 4.9437 4.9437 5.2132 5.2132 7.2398 7.2398 7.3547 7.3547 k = 0.0000 0.3191 0.3786 ( 7669 PWs) bands (ev): -15.3954 -15.3954 -15.3707 -15.3707 -12.9756 -12.9756 -12.8340 -12.8340 -12.6376 -12.6376 -12.6208 -12.6208 -9.5262 -9.5262 -9.5195 -9.5195 -9.2760 -9.2760 -9.2192 -9.2192 -7.8841 -7.8841 -7.4803 -7.4803 -6.3854 -6.3854 -6.0725 -6.0725 -4.9510 -4.9510 -4.9154 -4.9154 -4.7308 -4.7308 -4.6469 -4.6469 -4.5660 -4.5660 -4.3462 -4.3462 -3.1631 -3.1631 -3.0300 -3.0300 -2.6046 -2.6046 -2.4736 -2.4736 -2.2264 -2.2264 -2.1916 -2.1916 -0.6810 -0.6810 -0.4076 -0.4076 -0.1722 -0.1722 -0.1502 -0.1502 4.6341 4.6341 4.7078 4.7078 4.9420 4.9420 5.2370 5.2370 7.2598 7.2598 7.3996 7.3996 k = 0.0000 0.3359 0.3786 ( 7663 PWs) bands (ev): -15.3950 -15.3950 -15.3665 -15.3665 -12.9833 -12.9833 -12.8382 -12.8382 -12.6354 -12.6354 -12.6230 -12.6230 -9.5225 -9.5225 -9.5185 -9.5185 -9.2786 -9.2786 -9.2209 -9.2209 -7.8771 -7.8771 -7.4731 -7.4731 -6.3816 -6.3816 -6.0668 -6.0668 -4.9549 -4.9549 -4.9155 -4.9155 -4.7357 -4.7357 -4.6547 -4.6547 -4.5664 -4.5664 -4.3489 -4.3489 -3.1715 -3.1715 -3.0278 -3.0278 -2.6075 -2.6075 -2.4732 -2.4732 -2.2283 -2.2283 -2.1903 -2.1903 -0.6845 -0.6845 -0.4015 -0.4015 -0.1548 -0.1548 -0.1396 -0.1396 4.6271 4.6271 4.6975 4.6975 4.9428 4.9428 5.2594 5.2594 7.2791 7.2791 7.4468 7.4468 k = 0.0000 0.3527 0.3786 ( 7661 PWs) bands (ev): -15.3949 -15.3949 -15.3622 -15.3622 -12.9902 -12.9902 -12.8422 -12.8422 -12.6332 -12.6332 -12.6254 -12.6254 -9.5190 -9.5190 -9.5178 -9.5178 -9.2806 -9.2806 -9.2227 -9.2227 -7.8694 -7.8694 -7.4680 -7.4680 -6.3773 -6.3773 -6.0624 -6.0624 -4.9573 -4.9573 -4.9152 -4.9152 -4.7402 -4.7402 -4.6624 -4.6624 -4.5669 -4.5669 -4.3527 -4.3527 -3.1793 -3.1793 -3.0246 -3.0246 -2.6098 -2.6098 -2.4735 -2.4735 -2.2300 -2.2300 -2.1893 -2.1893 -0.6882 -0.6882 -0.3960 -0.3960 -0.1375 -0.1375 -0.1300 -0.1300 4.6189 4.6189 4.6881 4.6881 4.9458 4.9458 5.2800 5.2800 7.2971 7.2971 7.4961 7.4961 k = 0.0000 0.3695 0.3786 ( 7655 PWs) bands (ev): -15.3951 -15.3951 -15.3579 -15.3579 -12.9960 -12.9960 -12.8461 -12.8461 -12.6311 -12.6311 -12.6281 -12.6281 -9.5175 -9.5175 -9.5156 -9.5156 -9.2821 -9.2821 -9.2245 -9.2245 -7.8609 -7.8609 -7.4650 -7.4650 -6.3725 -6.3725 -6.0595 -6.0595 -4.9581 -4.9581 -4.9145 -4.9145 -4.7442 -4.7442 -4.6699 -4.6699 -4.5674 -4.5674 -4.3577 -4.3577 -3.1864 -3.1864 -3.0204 -3.0204 -2.6116 -2.6116 -2.4746 -2.4746 -2.2316 -2.2316 -2.1886 -2.1886 -0.6921 -0.6921 -0.3909 -0.3909 -0.1217 -0.1217 -0.1207 -0.1207 4.6098 4.6098 4.6796 4.6796 4.9509 4.9509 5.2984 5.2984 7.3133 7.3133 7.5474 7.5474 k = 0.0000 0.3863 0.3786 ( 7663 PWs) bands (ev): -15.3957 -15.3957 -15.3537 -15.3537 -13.0008 -13.0008 -12.8498 -12.8498 -12.6310 -12.6310 -12.6290 -12.6290 -9.5172 -9.5172 -9.5125 -9.5125 -9.2830 -9.2830 -9.2265 -9.2265 -7.8518 -7.8518 -7.4642 -7.4642 -6.3672 -6.3672 -6.0579 -6.0579 -4.9573 -4.9573 -4.9133 -4.9133 -4.7477 -4.7477 -4.6771 -4.6771 -4.5680 -4.5680 -4.3639 -4.3639 -3.1929 -3.1929 -3.0153 -3.0153 -2.6127 -2.6127 -2.4764 -2.4764 -2.2331 -2.2331 -2.1880 -2.1880 -0.6962 -0.6962 -0.3861 -0.3861 -0.1147 -0.1147 -0.1047 -0.1047 4.6001 4.6001 4.6723 4.6723 4.9577 4.9577 5.3142 5.3142 7.3269 7.3269 7.6005 7.6005 k = 0.0000 0.4030 0.3786 ( 7658 PWs) bands (ev): -15.3967 -15.3967 -15.3495 -15.3495 -13.0045 -13.0045 -12.8532 -12.8532 -12.6341 -12.6341 -12.6269 -12.6269 -9.5171 -9.5171 -9.5096 -9.5096 -9.2833 -9.2833 -9.2287 -9.2287 -7.8421 -7.8421 -7.4656 -7.4656 -6.3616 -6.3616 -6.0578 -6.0578 -4.9549 -4.9549 -4.9117 -4.9117 -4.7506 -4.7506 -4.6839 -4.6839 -4.5686 -4.5686 -4.3713 -4.3713 -3.1987 -3.1987 -3.0091 -3.0091 -2.6131 -2.6131 -2.4789 -2.4789 -2.2344 -2.2344 -2.1877 -2.1877 -0.7005 -0.7005 -0.3815 -0.3815 -0.1093 -0.1093 -0.0897 -0.0897 4.5902 4.5902 4.6663 4.6663 4.9660 4.9660 5.3269 5.3269 7.3367 7.3367 7.6553 7.6553 k = 0.0000 0.4198 0.3786 ( 7673 PWs) bands (ev): -15.3981 -15.3981 -15.3454 -15.3454 -13.0071 -13.0071 -12.8564 -12.8564 -12.6375 -12.6375 -12.6249 -12.6249 -9.5172 -9.5172 -9.5069 -9.5069 -9.2831 -9.2831 -9.2310 -9.2310 -7.8319 -7.8319 -7.4692 -7.4692 -6.3556 -6.3556 -6.0592 -6.0592 -4.9509 -4.9509 -4.9097 -4.9097 -4.7530 -4.7530 -4.6902 -4.6902 -4.5693 -4.5693 -4.3798 -4.3798 -3.2038 -3.2038 -3.0020 -3.0020 -2.6129 -2.6129 -2.4823 -2.4823 -2.2354 -2.2354 -2.1876 -2.1876 -0.7049 -0.7049 -0.3769 -0.3769 -0.1056 -0.1056 -0.0760 -0.0760 4.5804 4.5804 4.6618 4.6618 4.9755 4.9755 5.3363 5.3363 7.3414 7.3414 7.7114 7.7114 k = 0.0000 0.4198 0.3786 ( 7673 PWs) bands (ev): -15.3981 -15.3981 -15.3454 -15.3454 -13.0071 -13.0071 -12.8564 -12.8564 -12.6375 -12.6375 -12.6249 -12.6249 -9.5172 -9.5172 -9.5069 -9.5069 -9.2831 -9.2831 -9.2310 -9.2310 -7.8319 -7.8319 -7.4692 -7.4692 -6.3556 -6.3556 -6.0592 -6.0592 -4.9509 -4.9509 -4.9097 -4.9097 -4.7530 -4.7530 -4.6902 -4.6902 -4.5693 -4.5693 -4.3798 -4.3798 -3.2038 -3.2038 -3.0020 -3.0020 -2.6129 -2.6129 -2.4823 -2.4823 -2.2354 -2.2354 -2.1876 -2.1876 -0.7049 -0.7049 -0.3769 -0.3769 -0.1056 -0.1056 -0.0760 -0.0760 4.5804 4.5804 4.6618 4.6618 4.9755 4.9755 5.3363 5.3363 7.3414 7.3414 7.7114 7.7114 k = 0.0000 0.4259 0.3632 ( 7668 PWs) bands (ev): -15.3953 -15.3953 -15.3476 -15.3476 -13.0029 -13.0029 -12.8597 -12.8597 -12.6386 -12.6386 -12.6268 -12.6268 -9.5160 -9.5160 -9.5062 -9.5062 -9.2834 -9.2834 -9.2327 -9.2327 -7.8234 -7.8234 -7.4788 -7.4788 -6.3465 -6.3465 -6.0657 -6.0657 -4.9430 -4.9430 -4.9076 -4.9076 -4.7517 -4.7517 -4.6867 -4.6867 -4.5683 -4.5683 -4.3892 -4.3892 -3.2056 -3.2056 -3.0200 -3.0200 -2.6082 -2.6082 -2.4817 -2.4817 -2.2330 -2.2330 -2.1869 -2.1869 -0.6929 -0.6929 -0.3883 -0.3883 -0.1004 -0.1004 -0.0756 -0.0756 4.5862 4.5862 4.6579 4.6579 4.9857 4.9857 5.3330 5.3330 7.3623 7.3623 7.6871 7.6871 k = 0.0000 0.4320 0.3478 ( 7673 PWs) bands (ev): -15.3926 -15.3926 -15.3498 -15.3498 -12.9981 -12.9981 -12.8635 -12.8635 -12.6398 -12.6398 -12.6288 -12.6288 -9.5147 -9.5147 -9.5056 -9.5056 -9.2833 -9.2833 -9.2347 -9.2347 -7.8135 -7.8135 -7.4902 -7.4902 -6.3364 -6.3364 -6.0735 -6.0735 -4.9340 -4.9340 -4.9051 -4.9051 -4.7499 -4.7499 -4.6834 -4.6834 -4.5673 -4.5673 -4.4000 -4.4000 -3.2068 -3.2068 -3.0375 -3.0375 -2.6030 -2.6030 -2.4821 -2.4821 -2.2304 -2.2304 -2.1865 -2.1865 -0.6805 -0.6805 -0.4002 -0.4002 -0.0957 -0.0957 -0.0752 -0.0752 4.5916 4.5916 4.6543 4.6543 4.9976 4.9976 5.3277 5.3277 7.3808 7.3808 7.6640 7.6640 k = 0.0000 0.4380 0.3324 ( 7663 PWs) bands (ev): -15.3900 -15.3900 -15.3520 -15.3520 -12.9927 -12.9927 -12.8678 -12.8678 -12.6411 -12.6411 -12.6307 -12.6307 -9.5134 -9.5134 -9.5049 -9.5049 -9.2829 -9.2829 -9.2370 -9.2370 -7.8024 -7.8024 -7.5030 -7.5030 -6.3254 -6.3254 -6.0825 -6.0825 -4.9246 -4.9246 -4.9022 -4.9022 -4.7474 -4.7474 -4.6803 -4.6803 -4.5663 -4.5663 -4.4121 -4.4121 -3.2073 -3.2073 -3.0544 -3.0544 -2.5972 -2.5972 -2.4834 -2.4834 -2.2277 -2.2277 -2.1864 -2.1864 -0.6676 -0.6676 -0.4126 -0.4126 -0.0914 -0.0914 -0.0748 -0.0748 4.5967 4.5967 4.6509 4.6509 5.0114 5.0114 5.3205 5.3205 7.3968 7.3968 7.6420 7.6420 k = 0.0000 0.4441 0.3170 ( 7664 PWs) bands (ev): -15.3875 -15.3875 -15.3541 -15.3541 -12.9867 -12.9867 -12.8725 -12.8725 -12.6423 -12.6423 -12.6326 -12.6326 -9.5121 -9.5121 -9.5043 -9.5043 -9.2821 -9.2821 -9.2395 -9.2395 -7.7901 -7.7901 -7.5173 -7.5173 -6.3136 -6.3136 -6.0926 -6.0926 -4.9149 -4.9149 -4.8991 -4.8991 -4.7441 -4.7441 -4.6775 -4.6775 -4.5653 -4.5653 -4.4253 -4.4253 -3.2071 -3.2071 -3.0708 -3.0708 -2.5909 -2.5909 -2.4855 -2.4855 -2.2248 -2.2248 -2.1866 -2.1866 -0.6543 -0.6543 -0.4254 -0.4254 -0.0876 -0.0876 -0.0742 -0.0742 4.6014 4.6014 4.6477 4.6477 5.0267 5.0267 5.3114 5.3114 7.4109 7.4109 7.6211 7.6211 k = 0.0000 0.4501 0.3016 ( 7664 PWs) bands (ev): -15.3850 -15.3850 -15.3561 -15.3561 -12.9801 -12.9801 -12.8777 -12.8777 -12.6433 -12.6433 -12.6345 -12.6345 -9.5109 -9.5109 -9.5039 -9.5039 -9.2809 -9.2809 -9.2423 -9.2423 -7.7767 -7.7767 -7.5328 -7.5328 -6.3011 -6.3011 -6.1036 -6.1036 -4.9057 -4.9057 -4.8959 -4.8959 -4.7399 -4.7399 -4.6752 -4.6752 -4.5640 -4.5640 -4.4393 -4.4393 -3.2060 -3.2060 -3.0864 -3.0864 -2.5841 -2.5841 -2.4886 -2.4886 -2.2218 -2.2218 -2.1872 -2.1872 -0.6408 -0.6408 -0.4387 -0.4387 -0.0843 -0.0843 -0.0737 -0.0737 4.6057 4.6057 4.6447 4.6447 5.0435 5.0435 5.3005 5.3005 7.4233 7.4233 7.6014 7.6014 k = 0.0000 0.4562 0.2863 ( 7661 PWs) bands (ev): -15.3827 -15.3827 -15.3582 -15.3582 -12.9732 -12.9732 -12.8835 -12.8835 -12.6442 -12.6442 -12.6363 -12.6363 -9.5096 -9.5096 -9.5035 -9.5035 -9.2795 -9.2795 -9.2453 -9.2453 -7.7622 -7.7622 -7.5492 -7.5492 -6.2878 -6.2878 -6.1156 -6.1156 -4.8973 -4.8973 -4.8925 -4.8925 -4.7345 -4.7345 -4.6736 -4.6736 -4.5623 -4.5623 -4.4540 -4.4540 -3.2041 -3.2041 -3.1013 -3.1013 -2.5769 -2.5769 -2.4925 -2.4925 -2.2187 -2.2187 -2.1881 -2.1881 -0.6268 -0.6268 -0.4523 -0.4523 -0.0814 -0.0814 -0.0731 -0.0731 4.6097 4.6097 4.6419 4.6419 5.0615 5.0615 5.2878 5.2878 7.4344 7.4344 7.5829 7.5829 k = 0.0000 0.4622 0.2709 ( 7661 PWs) bands (ev): -15.3805 -15.3805 -15.3602 -15.3602 -12.9658 -12.9658 -12.8897 -12.8897 -12.6449 -12.6449 -12.6380 -12.6380 -9.5084 -9.5084 -9.5032 -9.5032 -9.2776 -9.2776 -9.2484 -9.2484 -7.7468 -7.7468 -7.5666 -7.5666 -6.2740 -6.2740 -6.1283 -6.1283 -4.8901 -4.8901 -4.8891 -4.8891 -4.7279 -4.7279 -4.6728 -4.6728 -4.5602 -4.5602 -4.4688 -4.4688 -3.2012 -3.2012 -3.1153 -3.1153 -2.5694 -2.5694 -2.4972 -2.4972 -2.2156 -2.2156 -2.1894 -2.1894 -0.6127 -0.6127 -0.4663 -0.4663 -0.0789 -0.0789 -0.0727 -0.0727 4.6132 4.6132 4.6393 4.6393 5.0805 5.0805 5.2735 5.2735 7.4447 7.4447 7.5656 7.5656 k = 0.0000 0.4683 0.2555 ( 7650 PWs) bands (ev): -15.3783 -15.3783 -15.3622 -15.3622 -12.9582 -12.9582 -12.8963 -12.8963 -12.6453 -12.6453 -12.6396 -12.6396 -9.5073 -9.5073 -9.5031 -9.5031 -9.2755 -9.2755 -9.2516 -9.2516 -7.7306 -7.7306 -7.5845 -7.5845 -6.2597 -6.2597 -6.1417 -6.1417 -4.8859 -4.8859 -4.8844 -4.8844 -4.7202 -4.7202 -4.6730 -4.6730 -4.5573 -4.5573 -4.4836 -4.4836 -3.1973 -3.1973 -3.1285 -3.1285 -2.5616 -2.5616 -2.5026 -2.5026 -2.2124 -2.2124 -2.1909 -2.1909 -0.5983 -0.5983 -0.4806 -0.4806 -0.0768 -0.0768 -0.0723 -0.0723 4.6165 4.6165 4.6367 4.6367 5.1004 5.1004 5.2576 5.2576 7.4546 7.4546 7.5494 7.5494 k = 0.0000 0.4744 0.2401 ( 7656 PWs) bands (ev): -15.3762 -15.3762 -15.3641 -15.3641 -12.9503 -12.9503 -12.9034 -12.9034 -12.6455 -12.6455 -12.6411 -12.6411 -9.5063 -9.5063 -9.5031 -9.5031 -9.2731 -9.2731 -9.2549 -9.2549 -7.7136 -7.7136 -7.6030 -7.6030 -6.2451 -6.2451 -6.1557 -6.1557 -4.8829 -4.8829 -4.8804 -4.8804 -4.7119 -4.7119 -4.6745 -4.6745 -4.5534 -4.5534 -4.4978 -4.4978 -3.1924 -3.1924 -3.1407 -3.1407 -2.5537 -2.5537 -2.5087 -2.5087 -2.2092 -2.2092 -2.1929 -2.1929 -0.5837 -0.5837 -0.4950 -0.4950 -0.0752 -0.0752 -0.0720 -0.0720 4.6195 4.6195 4.6343 4.6343 5.1208 5.1208 5.2404 5.2404 7.4644 7.4644 7.5344 7.5344 k = 0.0000 0.4804 0.2247 ( 7664 PWs) bands (ev): -15.3741 -15.3741 -15.3661 -15.3661 -12.9424 -12.9424 -12.9108 -12.9108 -12.6454 -12.6454 -12.6424 -12.6424 -9.5054 -9.5054 -9.5032 -9.5032 -9.2705 -9.2705 -9.2582 -9.2582 -7.6959 -7.6959 -7.6217 -7.6217 -6.2301 -6.2301 -6.1702 -6.1702 -4.8803 -4.8803 -4.8779 -4.8779 -4.7033 -4.7033 -4.6774 -4.6774 -4.5483 -4.5483 -4.5110 -4.5110 -3.1865 -3.1865 -3.1520 -3.1520 -2.5457 -2.5457 -2.5153 -2.5153 -2.2061 -2.2061 -2.1950 -2.1950 -0.5690 -0.5690 -0.5097 -0.5097 -0.0739 -0.0739 -0.0719 -0.0719 4.6222 4.6222 4.6320 4.6320 5.1415 5.1415 5.2220 5.2220 7.4744 7.4744 7.5206 7.5206 k = 0.0000 0.4865 0.2093 ( 7660 PWs) bands (ev): -15.3721 -15.3721 -15.3681 -15.3681 -12.9343 -12.9343 -12.9185 -12.9185 -12.6450 -12.6450 -12.6435 -12.6435 -9.5046 -9.5046 -9.5036 -9.5036 -9.2676 -9.2676 -9.2614 -9.2614 -7.6778 -7.6778 -7.6405 -7.6405 -6.2151 -6.2151 -6.1850 -6.1850 -4.8783 -4.8783 -4.8769 -4.8769 -4.6951 -4.6951 -4.6818 -4.6818 -4.5416 -4.5416 -4.5229 -4.5229 -3.1795 -3.1795 -3.1622 -3.1622 -2.5378 -2.5378 -2.5225 -2.5225 -2.2031 -2.2031 -2.1975 -2.1975 -0.5541 -0.5541 -0.5245 -0.5245 -0.0730 -0.0730 -0.0720 -0.0720 4.6248 4.6248 4.6296 4.6296 5.1622 5.1622 5.2027 5.2027 7.4848 7.4848 7.5077 7.5077 k = 0.0000 0.4925 0.1939 ( 7660 PWs) bands (ev): -15.3700 -15.3700 -15.3700 -15.3700 -12.9263 -12.9263 -12.9263 -12.9263 -12.6444 -12.6444 -12.6444 -12.6444 -9.5040 -9.5040 -9.5040 -9.5040 -9.2646 -9.2646 -9.2646 -9.2646 -7.6592 -7.6592 -7.6592 -7.6592 -6.2000 -6.2000 -6.2000 -6.2000 -4.8771 -4.8771 -4.8771 -4.8771 -4.6878 -4.6878 -4.6878 -4.6878 -4.5331 -4.5331 -4.5331 -4.5331 -3.1714 -3.1714 -3.1714 -3.1714 -2.5300 -2.5300 -2.5300 -2.5300 -2.2002 -2.2002 -2.2002 -2.2002 -0.5393 -0.5393 -0.5393 -0.5393 -0.0723 -0.0723 -0.0723 -0.0723 4.6273 4.6273 4.6273 4.6273 5.1827 5.1827 5.1827 5.1827 7.4958 7.4958 7.4958 7.4958 k = 0.0000 0.4925 0.1939 ( 7660 PWs) bands (ev): -15.3700 -15.3700 -15.3700 -15.3700 -12.9263 -12.9263 -12.9263 -12.9263 -12.6444 -12.6444 -12.6444 -12.6444 -9.5040 -9.5040 -9.5040 -9.5040 -9.2646 -9.2646 -9.2646 -9.2646 -7.6592 -7.6592 -7.6592 -7.6592 -6.2000 -6.2000 -6.2000 -6.2000 -4.8771 -4.8771 -4.8771 -4.8771 -4.6878 -4.6878 -4.6878 -4.6878 -4.5331 -4.5331 -4.5331 -4.5331 -3.1714 -3.1714 -3.1714 -3.1714 -2.5300 -2.5300 -2.5300 -2.5300 -2.2002 -2.2002 -2.2002 -2.2002 -0.5393 -0.5393 -0.5393 -0.5393 -0.0723 -0.0723 -0.0723 -0.0723 4.6273 4.6273 4.6273 4.6273 5.1827 5.1827 5.1827 5.1827 7.4958 7.4958 7.4958 7.4958 k = 0.0172 0.4925 0.1939 ( 7660 PWs) bands (ev): -15.3699 -15.3699 -15.3699 -15.3699 -12.9264 -12.9264 -12.9264 -12.9264 -12.6446 -12.6446 -12.6446 -12.6446 -9.5040 -9.5040 -9.5039 -9.5039 -9.2648 -9.2648 -9.2648 -9.2648 -7.6589 -7.6589 -7.6589 -7.6589 -6.1997 -6.1997 -6.1996 -6.1996 -4.8773 -4.8773 -4.8773 -4.8773 -4.6880 -4.6880 -4.6879 -4.6879 -4.5331 -4.5331 -4.5330 -4.5330 -3.1716 -3.1716 -3.1716 -3.1716 -2.5303 -2.5303 -2.5302 -2.5302 -2.2005 -2.2005 -2.2004 -2.2004 -0.5381 -0.5381 -0.5381 -0.5381 -0.0725 -0.0725 -0.0725 -0.0725 4.6278 4.6278 4.6278 4.6278 5.1826 5.1826 5.1826 5.1826 7.4952 7.4952 7.4952 7.4952 k = 0.0345 0.4925 0.1939 ( 7668 PWs) bands (ev): -15.3696 -15.3696 -15.3696 -15.3696 -12.9265 -12.9265 -12.9265 -12.9265 -12.6454 -12.6454 -12.6454 -12.6454 -9.5038 -9.5038 -9.5037 -9.5037 -9.2656 -9.2656 -9.2655 -9.2655 -7.6578 -7.6578 -7.6578 -7.6578 -6.1986 -6.1986 -6.1986 -6.1986 -4.8777 -4.8777 -4.8777 -4.8777 -4.6884 -4.6884 -4.6882 -4.6882 -4.5329 -4.5329 -4.5326 -4.5326 -3.1722 -3.1722 -3.1722 -3.1722 -2.5314 -2.5314 -2.5312 -2.5312 -2.2012 -2.2012 -2.2010 -2.2010 -0.5346 -0.5346 -0.5346 -0.5346 -0.0728 -0.0728 -0.0728 -0.0728 4.6293 4.6293 4.6293 4.6293 5.1822 5.1822 5.1822 5.1822 7.4932 7.4932 7.4932 7.4932 k = 0.0517 0.4925 0.1939 ( 7670 PWs) bands (ev): -15.3690 -15.3690 -15.3690 -15.3690 -12.9266 -12.9266 -12.9266 -12.9266 -12.6466 -12.6466 -12.6466 -12.6466 -9.5035 -9.5035 -9.5034 -9.5034 -9.2667 -9.2667 -9.2666 -9.2666 -7.6561 -7.6561 -7.6561 -7.6561 -6.1970 -6.1970 -6.1969 -6.1969 -4.8785 -4.8785 -4.8784 -4.8784 -4.6891 -4.6891 -4.6889 -4.6889 -4.5324 -4.5324 -4.5321 -4.5321 -3.1733 -3.1733 -3.1733 -3.1733 -2.5330 -2.5330 -2.5327 -2.5327 -2.2025 -2.2025 -2.2021 -2.2021 -0.5289 -0.5289 -0.5289 -0.5289 -0.0733 -0.0733 -0.0732 -0.0732 4.6318 4.6318 4.6318 4.6318 5.1817 5.1817 5.1817 5.1817 7.4899 7.4899 7.4900 7.4900 k = 0.0690 0.4925 0.1939 ( 7664 PWs) bands (ev): -15.3682 -15.3682 -15.3682 -15.3682 -12.9269 -12.9269 -12.9269 -12.9269 -12.6483 -12.6483 -12.6482 -12.6482 -9.5032 -9.5032 -9.5030 -9.5030 -9.2683 -9.2683 -9.2681 -9.2681 -7.6537 -7.6537 -7.6537 -7.6537 -6.1946 -6.1946 -6.1946 -6.1946 -4.8795 -4.8795 -4.8794 -4.8794 -4.6902 -4.6902 -4.6898 -4.6898 -4.5317 -4.5317 -4.5313 -4.5313 -3.1747 -3.1747 -3.1747 -3.1747 -2.5353 -2.5353 -2.5349 -2.5349 -2.2041 -2.2041 -2.2037 -2.2037 -0.5210 -0.5210 -0.5210 -0.5210 -0.0739 -0.0739 -0.0739 -0.0739 4.6350 4.6350 4.6350 4.6350 5.1813 5.1813 5.1813 5.1813 7.4854 7.4854 7.4855 7.4855 k = 0.0862 0.4925 0.1939 ( 7670 PWs) bands (ev): -15.3671 -15.3671 -15.3671 -15.3671 -12.9272 -12.9272 -12.9272 -12.9272 -12.6503 -12.6503 -12.6503 -12.6503 -9.5028 -9.5028 -9.5026 -9.5026 -9.2701 -9.2701 -9.2699 -9.2699 -7.6507 -7.6507 -7.6507 -7.6507 -6.1917 -6.1917 -6.1917 -6.1917 -4.8808 -4.8808 -4.8807 -4.8807 -4.6915 -4.6915 -4.6910 -4.6910 -4.5309 -4.5309 -4.5303 -4.5303 -3.1764 -3.1764 -3.1764 -3.1764 -2.5382 -2.5382 -2.5378 -2.5378 -2.2062 -2.2062 -2.2057 -2.2057 -0.5111 -0.5111 -0.5111 -0.5111 -0.0746 -0.0746 -0.0746 -0.0746 4.6388 4.6388 4.6388 4.6388 5.1810 5.1810 5.1810 5.1810 7.4797 7.4797 7.4798 7.4798 k = 0.1034 0.4925 0.1939 ( 7668 PWs) bands (ev): -15.3659 -15.3659 -15.3659 -15.3659 -12.9276 -12.9276 -12.9276 -12.9276 -12.6528 -12.6528 -12.6528 -12.6528 -9.5024 -9.5024 -9.5022 -9.5022 -9.2723 -9.2723 -9.2720 -9.2720 -7.6471 -7.6471 -7.6471 -7.6471 -6.1882 -6.1882 -6.1882 -6.1882 -4.8823 -4.8823 -4.8821 -4.8821 -4.6931 -4.6931 -4.6926 -4.6926 -4.5299 -4.5299 -4.5292 -4.5292 -3.1782 -3.1782 -3.1782 -3.1782 -2.5418 -2.5418 -2.5412 -2.5412 -2.2087 -2.2087 -2.2080 -2.2080 -0.4994 -0.4994 -0.4994 -0.4994 -0.0753 -0.0753 -0.0753 -0.0753 4.6429 4.6429 4.6430 4.6430 5.1811 5.1811 5.1811 5.1811 7.4729 7.4729 7.4730 7.4730 k = 0.1207 0.4925 0.1939 ( 7668 PWs) bands (ev): -15.3644 -15.3644 -15.3644 -15.3644 -12.9281 -12.9281 -12.9281 -12.9281 -12.6556 -12.6556 -12.6556 -12.6556 -9.5021 -9.5021 -9.5018 -9.5018 -9.2746 -9.2746 -9.2743 -9.2743 -7.6429 -7.6429 -7.6429 -7.6429 -6.1842 -6.1842 -6.1842 -6.1842 -4.8840 -4.8840 -4.8838 -4.8838 -4.6950 -4.6950 -4.6944 -4.6944 -4.5287 -4.5287 -4.5279 -4.5279 -3.1802 -3.1802 -3.1802 -3.1802 -2.5460 -2.5460 -2.5453 -2.5453 -2.2115 -2.2115 -2.2108 -2.2108 -0.4861 -0.4861 -0.4861 -0.4861 -0.0760 -0.0760 -0.0760 -0.0760 4.6471 4.6471 4.6471 4.6471 5.1819 5.1819 5.1819 5.1819 7.4650 7.4650 7.4652 7.4652 k = 0.1379 0.4925 0.1939 ( 7672 PWs) bands (ev): -15.3628 -15.3628 -15.3628 -15.3628 -12.9288 -12.9288 -12.9288 -12.9288 -12.6587 -12.6587 -12.6587 -12.6587 -9.5020 -9.5020 -9.5016 -9.5016 -9.2770 -9.2770 -9.2767 -9.2767 -7.6382 -7.6382 -7.6382 -7.6382 -6.1798 -6.1798 -6.1798 -6.1798 -4.8859 -4.8859 -4.8857 -4.8857 -4.6973 -4.6973 -4.6966 -4.6966 -4.5273 -4.5273 -4.5264 -4.5264 -3.1822 -3.1822 -3.1821 -3.1821 -2.5508 -2.5508 -2.5500 -2.5500 -2.2147 -2.2147 -2.2138 -2.2138 -0.4714 -0.4714 -0.4714 -0.4714 -0.0766 -0.0766 -0.0765 -0.0765 4.6510 4.6510 4.6510 4.6510 5.1837 5.1837 5.1837 5.1837 7.4563 7.4563 7.4564 7.4564 k = 0.1552 0.4925 0.1939 ( 7668 PWs) bands (ev): -15.3610 -15.3610 -15.3610 -15.3610 -12.9295 -12.9295 -12.9295 -12.9295 -12.6620 -12.6620 -12.6620 -12.6620 -9.5020 -9.5020 -9.5016 -9.5016 -9.2794 -9.2794 -9.2790 -9.2790 -7.6331 -7.6331 -7.6331 -7.6331 -6.1750 -6.1750 -6.1750 -6.1750 -4.8879 -4.8879 -4.8876 -4.8876 -4.6998 -4.6998 -4.6991 -4.6991 -4.5258 -4.5258 -4.5248 -4.5248 -3.1840 -3.1840 -3.1840 -3.1840 -2.5562 -2.5562 -2.5553 -2.5553 -2.2181 -2.2181 -2.2172 -2.2172 -0.4557 -0.4557 -0.4557 -0.4557 -0.0768 -0.0768 -0.0768 -0.0768 4.6542 4.6542 4.6542 4.6542 5.1868 5.1868 5.1868 5.1868 7.4467 7.4467 7.4468 7.4468 k = 0.1724 0.4925 0.1939 ( 7662 PWs) bands (ev): -15.3591 -15.3591 -15.3591 -15.3591 -12.9304 -12.9304 -12.9304 -12.9304 -12.6655 -12.6655 -12.6655 -12.6655 -9.5023 -9.5023 -9.5019 -9.5019 -9.2817 -9.2817 -9.2813 -9.2813 -7.6275 -7.6275 -7.6275 -7.6275 -6.1699 -6.1699 -6.1698 -6.1698 -4.8900 -4.8900 -4.8897 -4.8897 -4.7027 -4.7027 -4.7019 -4.7019 -4.5241 -4.5241 -4.5231 -4.5231 -3.1856 -3.1856 -3.1856 -3.1856 -2.5621 -2.5621 -2.5612 -2.5612 -2.2217 -2.2217 -2.2207 -2.2207 -0.4393 -0.4393 -0.4393 -0.4393 -0.0767 -0.0767 -0.0767 -0.0767 4.6565 4.6565 4.6566 4.6566 5.1914 5.1914 5.1914 5.1914 7.4363 7.4363 7.4365 7.4365 k = 0.1897 0.4925 0.1939 ( 7664 PWs) bands (ev): -15.3570 -15.3570 -15.3570 -15.3570 -12.9314 -12.9314 -12.9314 -12.9314 -12.6691 -12.6691 -12.6691 -12.6691 -9.5030 -9.5030 -9.5025 -9.5025 -9.2838 -9.2838 -9.2833 -9.2833 -7.6217 -7.6217 -7.6217 -7.6217 -6.1646 -6.1646 -6.1645 -6.1645 -4.8922 -4.8922 -4.8919 -4.8919 -4.7059 -4.7059 -4.7050 -4.7050 -4.5223 -4.5223 -4.5213 -4.5213 -3.1870 -3.1870 -3.1870 -3.1870 -2.5686 -2.5686 -2.5676 -2.5676 -2.2256 -2.2256 -2.2245 -2.2245 -0.4225 -0.4225 -0.4224 -0.4224 -0.0761 -0.0761 -0.0760 -0.0760 4.6576 4.6576 4.6577 4.6577 5.1978 5.1978 5.1978 5.1978 7.4253 7.4253 7.4255 7.4255 k = 0.2069 0.4925 0.1939 ( 7660 PWs) bands (ev): -15.3549 -15.3549 -15.3549 -15.3549 -12.9326 -12.9326 -12.9326 -12.9326 -12.6727 -12.6727 -12.6727 -12.6727 -9.5039 -9.5039 -9.5034 -9.5034 -9.2857 -9.2857 -9.2851 -9.2851 -7.6155 -7.6155 -7.6155 -7.6155 -6.1590 -6.1590 -6.1590 -6.1590 -4.8944 -4.8944 -4.8941 -4.8941 -4.7093 -4.7093 -4.7084 -4.7084 -4.5204 -4.5204 -4.5193 -4.5193 -3.1880 -3.1880 -3.1879 -3.1879 -2.5757 -2.5757 -2.5746 -2.5746 -2.2295 -2.2295 -2.2283 -2.2283 -0.4056 -0.4056 -0.4055 -0.4055 -0.0748 -0.0748 -0.0747 -0.0747 4.6573 4.6573 4.6574 4.6574 5.2060 5.2060 5.2061 5.2061 7.4137 7.4137 7.4139 7.4139 k = 0.2241 0.4925 0.1939 ( 7658 PWs) bands (ev): -15.3526 -15.3526 -15.3526 -15.3526 -12.9339 -12.9339 -12.9339 -12.9339 -12.6763 -12.6763 -12.6763 -12.6763 -9.5053 -9.5053 -9.5047 -9.5047 -9.2872 -9.2872 -9.2866 -9.2866 -7.6092 -7.6092 -7.6092 -7.6092 -6.1534 -6.1534 -6.1533 -6.1533 -4.8966 -4.8966 -4.8963 -4.8963 -4.7130 -4.7130 -4.7121 -4.7121 -4.5185 -4.5185 -4.5173 -4.5173 -3.1885 -3.1885 -3.1885 -3.1885 -2.5831 -2.5831 -2.5820 -2.5820 -2.2336 -2.2336 -2.2323 -2.2323 -0.3890 -0.3890 -0.3890 -0.3890 -0.0726 -0.0726 -0.0726 -0.0726 4.6556 4.6556 4.6556 4.6556 5.2162 5.2162 5.2163 5.2163 7.4017 7.4017 7.4019 7.4019 k = 0.2414 0.4925 0.1939 ( 7660 PWs) bands (ev): -15.3504 -15.3504 -15.3504 -15.3504 -12.9354 -12.9354 -12.9354 -12.9354 -12.6799 -12.6799 -12.6799 -12.6799 -9.5070 -9.5070 -9.5064 -9.5064 -9.2884 -9.2884 -9.2878 -9.2878 -7.6027 -7.6027 -7.6027 -7.6027 -6.1478 -6.1478 -6.1477 -6.1477 -4.8989 -4.8989 -4.8986 -4.8986 -4.7168 -4.7168 -4.7159 -4.7159 -4.5164 -4.5164 -4.5152 -4.5152 -3.1886 -3.1886 -3.1886 -3.1886 -2.5910 -2.5910 -2.5898 -2.5898 -2.2376 -2.2376 -2.2363 -2.2363 -0.3730 -0.3730 -0.3730 -0.3730 -0.0696 -0.0696 -0.0696 -0.0696 4.6523 4.6523 4.6523 4.6523 5.2284 5.2284 5.2284 5.2284 7.3894 7.3894 7.3895 7.3895 k = 0.2586 0.4925 0.1939 ( 7656 PWs) bands (ev): -15.3481 -15.3481 -15.3481 -15.3481 -12.9370 -12.9370 -12.9370 -12.9370 -12.6834 -12.6834 -12.6834 -12.6834 -9.5092 -9.5092 -9.5085 -9.5085 -9.2892 -9.2892 -9.2885 -9.2885 -7.5962 -7.5962 -7.5962 -7.5962 -6.1423 -6.1423 -6.1422 -6.1422 -4.9011 -4.9011 -4.9007 -4.9007 -4.7208 -4.7208 -4.7199 -4.7199 -4.5144 -4.5144 -4.5131 -4.5131 -3.1882 -3.1882 -3.1881 -3.1881 -2.5993 -2.5993 -2.5980 -2.5980 -2.2417 -2.2417 -2.2402 -2.2402 -0.3581 -0.3581 -0.3580 -0.3580 -0.0655 -0.0655 -0.0655 -0.0655 4.6475 4.6475 4.6476 4.6476 5.2422 5.2422 5.2422 5.2422 7.3768 7.3768 7.3770 7.3770 k = 0.2759 0.4925 0.1939 ( 7652 PWs) bands (ev): -15.3458 -15.3458 -15.3458 -15.3458 -12.9387 -12.9387 -12.9387 -12.9387 -12.6867 -12.6867 -12.6867 -12.6867 -9.5116 -9.5116 -9.5109 -9.5109 -9.2896 -9.2896 -9.2889 -9.2889 -7.5896 -7.5896 -7.5896 -7.5896 -6.1368 -6.1368 -6.1367 -6.1367 -4.9032 -4.9032 -4.9029 -4.9029 -4.7250 -4.7250 -4.7240 -4.7240 -4.5123 -4.5123 -4.5110 -4.5110 -3.1873 -3.1873 -3.1872 -3.1872 -2.6078 -2.6078 -2.6064 -2.6064 -2.2456 -2.2456 -2.2441 -2.2441 -0.3443 -0.3443 -0.3443 -0.3443 -0.0604 -0.0604 -0.0603 -0.0603 4.6415 4.6415 4.6416 4.6416 5.2575 5.2575 5.2575 5.2575 7.3641 7.3641 7.3643 7.3643 k = 0.2931 0.4925 0.1939 ( 7652 PWs) bands (ev): -15.3436 -15.3436 -15.3436 -15.3436 -12.9405 -12.9405 -12.9405 -12.9405 -12.6898 -12.6898 -12.6898 -12.6898 -9.5143 -9.5143 -9.5136 -9.5136 -9.2896 -9.2896 -9.2889 -9.2889 -7.5832 -7.5832 -7.5832 -7.5832 -6.1316 -6.1316 -6.1315 -6.1315 -4.9053 -4.9053 -4.9050 -4.9050 -4.7291 -4.7291 -4.7281 -4.7281 -4.5102 -4.5102 -4.5089 -4.5089 -3.1859 -3.1859 -3.1858 -3.1858 -2.6164 -2.6164 -2.6150 -2.6150 -2.2495 -2.2495 -2.2479 -2.2479 -0.3320 -0.3320 -0.3320 -0.3320 -0.0541 -0.0541 -0.0541 -0.0541 4.6344 4.6344 4.6345 4.6345 5.2740 5.2740 5.2740 5.2740 7.3515 7.3515 7.3516 7.3516 k = 0.3103 0.4925 0.1939 ( 7660 PWs) bands (ev): -15.3414 -15.3414 -15.3414 -15.3414 -12.9423 -12.9423 -12.9423 -12.9423 -12.6927 -12.6927 -12.6927 -12.6927 -9.5173 -9.5173 -9.5166 -9.5166 -9.2894 -9.2894 -9.2886 -9.2886 -7.5770 -7.5770 -7.5770 -7.5770 -6.1266 -6.1266 -6.1265 -6.1265 -4.9073 -4.9073 -4.9069 -4.9069 -4.7332 -4.7332 -4.7322 -4.7322 -4.5082 -4.5082 -4.5069 -4.5069 -3.1841 -3.1841 -3.1840 -3.1840 -2.6251 -2.6251 -2.6237 -2.6237 -2.2531 -2.2531 -2.2516 -2.2516 -0.3212 -0.3212 -0.3212 -0.3212 -0.0469 -0.0469 -0.0469 -0.0469 4.6266 4.6266 4.6267 4.6267 5.2912 5.2912 5.2912 5.2912 7.3390 7.3390 7.3391 7.3391 k = 0.3276 0.4925 0.1939 ( 7668 PWs) bands (ev): -15.3393 -15.3393 -15.3393 -15.3393 -12.9442 -12.9442 -12.9442 -12.9442 -12.6953 -12.6953 -12.6953 -12.6953 -9.5204 -9.5204 -9.5196 -9.5196 -9.2889 -9.2889 -9.2881 -9.2881 -7.5710 -7.5710 -7.5710 -7.5710 -6.1219 -6.1219 -6.1218 -6.1218 -4.9092 -4.9092 -4.9088 -4.9088 -4.7372 -4.7372 -4.7362 -4.7362 -4.5062 -4.5062 -4.5049 -4.5049 -3.1819 -3.1819 -3.1818 -3.1818 -2.6338 -2.6338 -2.6323 -2.6323 -2.2566 -2.2566 -2.2550 -2.2550 -0.3120 -0.3120 -0.3120 -0.3120 -0.0390 -0.0390 -0.0389 -0.0389 4.6182 4.6182 4.6183 4.6183 5.3088 5.3088 5.3088 5.3088 7.3268 7.3268 7.3270 7.3270 k = 0.3448 0.4925 0.1939 ( 7664 PWs) bands (ev): -15.3373 -15.3373 -15.3373 -15.3373 -12.9461 -12.9461 -12.9461 -12.9461 -12.6977 -12.6977 -12.6977 -12.6977 -9.5235 -9.5235 -9.5228 -9.5228 -9.2881 -9.2881 -9.2873 -9.2873 -7.5654 -7.5654 -7.5653 -7.5653 -6.1176 -6.1176 -6.1175 -6.1175 -4.9110 -4.9110 -4.9106 -4.9106 -4.7410 -4.7410 -4.7400 -4.7400 -4.5043 -4.5043 -4.5030 -4.5030 -3.1794 -3.1794 -3.1793 -3.1793 -2.6423 -2.6423 -2.6407 -2.6407 -2.2599 -2.2599 -2.2582 -2.2582 -0.3043 -0.3043 -0.3043 -0.3043 -0.0305 -0.0305 -0.0304 -0.0304 4.6096 4.6096 4.6097 4.6097 5.3263 5.3263 5.3263 5.3263 7.3152 7.3152 7.3153 7.3153 k = 0.3621 0.4925 0.1939 ( 7662 PWs) bands (ev): -15.3354 -15.3354 -15.3354 -15.3354 -12.9479 -12.9479 -12.9479 -12.9479 -12.6998 -12.6998 -12.6998 -12.6998 -9.5266 -9.5266 -9.5258 -9.5258 -9.2873 -9.2873 -9.2864 -9.2864 -7.5601 -7.5601 -7.5601 -7.5601 -6.1136 -6.1136 -6.1135 -6.1135 -4.9126 -4.9126 -4.9122 -4.9122 -4.7446 -4.7446 -4.7436 -4.7436 -4.5026 -4.5026 -4.5012 -4.5012 -3.1767 -3.1767 -3.1767 -3.1767 -2.6504 -2.6504 -2.6488 -2.6488 -2.2628 -2.2628 -2.2611 -2.2611 -0.2980 -0.2980 -0.2980 -0.2980 -0.0217 -0.0217 -0.0217 -0.0217 4.6011 4.6011 4.6011 4.6011 5.3433 5.3433 5.3434 5.3434 7.3042 7.3042 7.3043 7.3043 k = 0.3793 0.4925 0.1939 ( 7668 PWs) bands (ev): -15.3337 -15.3337 -15.3337 -15.3337 -12.9497 -12.9497 -12.9497 -12.9497 -12.7017 -12.7017 -12.7017 -12.7017 -9.5295 -9.5295 -9.5288 -9.5288 -9.2863 -9.2863 -9.2855 -9.2855 -7.5552 -7.5552 -7.5552 -7.5552 -6.1100 -6.1100 -6.1099 -6.1099 -4.9141 -4.9141 -4.9137 -4.9137 -4.7479 -4.7479 -4.7469 -4.7469 -4.5009 -4.5009 -4.4996 -4.4996 -3.1739 -3.1739 -3.1739 -3.1739 -2.6581 -2.6581 -2.6565 -2.6565 -2.2655 -2.2655 -2.2638 -2.2638 -0.2930 -0.2930 -0.2929 -0.2929 -0.0131 -0.0131 -0.0130 -0.0130 4.5928 4.5928 4.5929 4.5929 5.3595 5.3595 5.3595 5.3595 7.2939 7.2939 7.2940 7.2940 k = 0.3966 0.4925 0.1939 ( 7674 PWs) bands (ev): -15.3322 -15.3322 -15.3322 -15.3322 -12.9513 -12.9513 -12.9513 -12.9513 -12.7033 -12.7033 -12.7033 -12.7033 -9.5323 -9.5323 -9.5315 -9.5315 -9.2854 -9.2854 -9.2845 -9.2845 -7.5509 -7.5509 -7.5509 -7.5509 -6.1069 -6.1069 -6.1068 -6.1068 -4.9154 -4.9154 -4.9150 -4.9150 -4.7509 -4.7509 -4.7499 -4.7499 -4.4995 -4.4995 -4.4981 -4.4981 -3.1712 -3.1712 -3.1712 -3.1712 -2.6651 -2.6651 -2.6635 -2.6635 -2.2679 -2.2679 -2.2662 -2.2662 -0.2890 -0.2890 -0.2889 -0.2889 -0.0049 -0.0049 -0.0048 -0.0048 4.5852 4.5852 4.5853 4.5853 5.3744 5.3744 5.3744 5.3744 7.2847 7.2847 7.2848 7.2848 k = 0.4138 0.4925 0.1939 ( 7674 PWs) bands (ev): -15.3309 -15.3309 -15.3309 -15.3309 -12.9527 -12.9527 -12.9527 -12.9527 -12.7047 -12.7047 -12.7046 -12.7046 -9.5347 -9.5347 -9.5339 -9.5339 -9.2844 -9.2844 -9.2836 -9.2836 -7.5471 -7.5471 -7.5471 -7.5471 -6.1042 -6.1042 -6.1041 -6.1041 -4.9166 -4.9166 -4.9162 -4.9162 -4.7535 -4.7535 -4.7525 -4.7525 -4.4982 -4.4982 -4.4968 -4.4968 -3.1686 -3.1686 -3.1686 -3.1686 -2.6714 -2.6714 -2.6697 -2.6697 -2.2700 -2.2700 -2.2682 -2.2682 -0.2859 -0.2859 -0.2858 -0.2858 0.0027 0.0027 0.0027 0.0027 4.5784 4.5784 4.5785 4.5785 5.3876 5.3876 5.3877 5.3877 7.2766 7.2766 7.2766 7.2766 k = 0.4310 0.4925 0.1939 ( 7676 PWs) bands (ev): -15.3298 -15.3298 -15.3298 -15.3298 -12.9540 -12.9540 -12.9540 -12.9540 -12.7057 -12.7057 -12.7057 -12.7057 -9.5368 -9.5368 -9.5360 -9.5360 -9.2836 -9.2836 -9.2828 -9.2828 -7.5440 -7.5440 -7.5440 -7.5440 -6.1020 -6.1020 -6.1019 -6.1019 -4.9175 -4.9175 -4.9171 -4.9171 -4.7557 -4.7557 -4.7547 -4.7547 -4.4971 -4.4971 -4.4958 -4.4958 -3.1663 -3.1663 -3.1663 -3.1663 -2.6767 -2.6767 -2.6751 -2.6751 -2.2717 -2.2717 -2.2699 -2.2699 -0.2836 -0.2836 -0.2835 -0.2835 0.0092 0.0092 0.0093 0.0093 4.5725 4.5725 4.5726 4.5726 5.3989 5.3989 5.3990 5.3990 7.2697 7.2697 7.2698 7.2698 k = 0.4483 0.4925 0.1939 ( 7668 PWs) bands (ev): -15.3289 -15.3289 -15.3289 -15.3289 -12.9550 -12.9550 -12.9550 -12.9550 -12.7066 -12.7066 -12.7066 -12.7066 -9.5385 -9.5385 -9.5377 -9.5377 -9.2829 -9.2829 -9.2821 -9.2821 -7.5415 -7.5415 -7.5415 -7.5415 -6.1003 -6.1003 -6.1002 -6.1002 -4.9183 -4.9183 -4.9179 -4.9179 -4.7574 -4.7574 -4.7564 -4.7564 -4.4963 -4.4963 -4.4949 -4.4949 -3.1644 -3.1644 -3.1644 -3.1644 -2.6810 -2.6810 -2.6794 -2.6794 -2.2730 -2.2730 -2.2712 -2.2712 -0.2819 -0.2819 -0.2819 -0.2819 0.0145 0.0145 0.0146 0.0146 4.5678 4.5678 4.5679 4.5679 5.4080 5.4080 5.4081 5.4081 7.2642 7.2642 7.2643 7.2643 k = 0.4655 0.4925 0.1939 ( 7670 PWs) bands (ev): -15.3283 -15.3283 -15.3283 -15.3283 -12.9557 -12.9557 -12.9557 -12.9557 -12.7072 -12.7072 -12.7072 -12.7072 -9.5397 -9.5397 -9.5389 -9.5389 -9.2824 -9.2824 -9.2816 -9.2816 -7.5397 -7.5397 -7.5397 -7.5397 -6.0991 -6.0991 -6.0989 -6.0989 -4.9189 -4.9189 -4.9184 -4.9184 -4.7586 -4.7586 -4.7576 -4.7576 -4.4957 -4.4957 -4.4943 -4.4943 -3.1629 -3.1629 -3.1629 -3.1629 -2.6842 -2.6842 -2.6825 -2.6825 -2.2740 -2.2740 -2.2721 -2.2721 -0.2808 -0.2808 -0.2807 -0.2807 0.0184 0.0184 0.0185 0.0185 4.5643 4.5643 4.5644 4.5644 5.4147 5.4147 5.4147 5.4147 7.2602 7.2602 7.2603 7.2603 k = 0.4828 0.4925 0.1939 ( 7690 PWs) bands (ev): -15.3279 -15.3279 -15.3279 -15.3279 -12.9562 -12.9562 -12.9562 -12.9562 -12.7075 -12.7075 -12.7075 -12.7075 -9.5405 -9.5405 -9.5397 -9.5397 -9.2821 -9.2821 -9.2813 -9.2813 -7.5386 -7.5386 -7.5386 -7.5386 -6.0983 -6.0983 -6.0982 -6.0982 -4.9192 -4.9192 -4.9188 -4.9188 -4.7594 -4.7594 -4.7584 -4.7584 -4.4953 -4.4953 -4.4939 -4.4939 -3.1620 -3.1620 -3.1620 -3.1620 -2.6861 -2.6861 -2.6845 -2.6845 -2.2745 -2.2745 -2.2727 -2.2727 -0.2802 -0.2802 -0.2801 -0.2801 0.0208 0.0208 0.0209 0.0209 4.5622 4.5622 4.5623 4.5623 5.4187 5.4187 5.4188 5.4188 7.2578 7.2578 7.2579 7.2579 k = 0.5000 0.4925 0.1939 ( 7692 PWs) bands (ev): -15.3278 -15.3278 -15.3278 -15.3278 -12.9563 -12.9563 -12.9563 -12.9563 -12.7076 -12.7076 -12.7076 -12.7076 -9.5408 -9.5408 -9.5400 -9.5400 -9.2820 -9.2820 -9.2812 -9.2812 -7.5383 -7.5383 -7.5382 -7.5382 -6.0981 -6.0981 -6.0980 -6.0980 -4.9193 -4.9193 -4.9189 -4.9189 -4.7597 -4.7597 -4.7586 -4.7586 -4.4952 -4.4952 -4.4938 -4.4938 -3.1617 -3.1617 -3.1617 -3.1617 -2.6868 -2.6868 -2.6851 -2.6851 -2.2748 -2.2748 -2.2729 -2.2729 -0.2800 -0.2800 -0.2799 -0.2799 0.0216 0.0216 0.0217 0.0217 4.5615 4.5615 4.5616 4.5616 5.4201 5.4201 5.4201 5.4201 7.2570 7.2570 7.2571 7.2571 k = 0.5000 0.4925 0.1939 ( 7692 PWs) bands (ev): -15.3278 -15.3278 -15.3278 -15.3278 -12.9563 -12.9563 -12.9563 -12.9563 -12.7076 -12.7076 -12.7076 -12.7076 -9.5408 -9.5408 -9.5400 -9.5400 -9.2820 -9.2820 -9.2812 -9.2812 -7.5383 -7.5383 -7.5382 -7.5382 -6.0981 -6.0981 -6.0980 -6.0980 -4.9193 -4.9193 -4.9189 -4.9189 -4.7597 -4.7597 -4.7586 -4.7586 -4.4952 -4.4952 -4.4938 -4.4938 -3.1617 -3.1617 -3.1617 -3.1617 -2.6868 -2.6868 -2.6851 -2.6851 -2.2748 -2.2748 -2.2729 -2.2729 -0.2800 -0.2800 -0.2799 -0.2799 0.0216 0.0216 0.0217 0.0217 4.5615 4.5615 4.5616 4.5616 5.4201 5.4201 5.4201 5.4201 7.2570 7.2570 7.2571 7.2571 k = 0.5000 0.4986 0.1785 ( 7684 PWs) bands (ev): -15.3278 -15.3278 -15.3278 -15.3278 -12.9563 -12.9563 -12.9563 -12.9563 -12.7077 -12.7077 -12.7077 -12.7077 -9.5403 -9.5403 -9.5395 -9.5395 -9.2824 -9.2824 -9.2816 -9.2816 -7.5385 -7.5385 -7.5385 -7.5385 -6.0979 -6.0979 -6.0978 -6.0978 -4.9189 -4.9189 -4.9185 -4.9185 -4.7593 -4.7593 -4.7583 -4.7583 -4.4959 -4.4959 -4.4945 -4.4945 -3.1626 -3.1626 -3.1626 -3.1626 -2.6857 -2.6857 -2.6841 -2.6841 -2.2748 -2.2748 -2.2730 -2.2730 -0.2797 -0.2797 -0.2797 -0.2797 0.0215 0.0215 0.0216 0.0216 4.5615 4.5615 4.5616 4.5616 5.4196 5.4196 5.4196 5.4196 7.2584 7.2584 7.2584 7.2584 k = 0.5000 0.5047 0.1632 ( 7682 PWs) bands (ev): -15.3278 -15.3278 -15.3278 -15.3278 -12.9561 -12.9561 -12.9561 -12.9561 -12.7078 -12.7078 -12.7078 -12.7078 -9.5388 -9.5388 -9.5380 -9.5380 -9.2837 -9.2837 -9.2828 -9.2828 -7.5391 -7.5391 -7.5391 -7.5391 -6.0975 -6.0975 -6.0974 -6.0974 -4.9179 -4.9179 -4.9175 -4.9175 -4.7583 -4.7583 -4.7572 -4.7572 -4.4981 -4.4981 -4.4967 -4.4967 -3.1652 -3.1652 -3.1652 -3.1652 -2.6826 -2.6826 -2.6810 -2.6810 -2.2751 -2.2751 -2.2733 -2.2733 -0.2791 -0.2791 -0.2790 -0.2790 0.0210 0.0210 0.0211 0.0211 4.5614 4.5614 4.5615 4.5615 5.4181 5.4181 5.4181 5.4181 7.2625 7.2625 7.2626 7.2626 k = 0.5000 0.5107 0.1478 ( 7692 PWs) bands (ev): -15.3279 -15.3279 -15.3279 -15.3279 -12.9558 -12.9558 -12.9558 -12.9558 -12.7080 -12.7080 -12.7080 -12.7080 -9.5364 -9.5364 -9.5356 -9.5356 -9.2858 -9.2858 -9.2849 -9.2849 -7.5402 -7.5402 -7.5402 -7.5402 -6.0968 -6.0968 -6.0967 -6.0967 -4.9162 -4.9162 -4.9158 -4.9158 -4.7565 -4.7565 -4.7555 -4.7555 -4.5018 -4.5018 -4.5004 -4.5004 -3.1694 -3.1694 -3.1694 -3.1694 -2.6776 -2.6776 -2.6760 -2.6760 -2.2756 -2.2756 -2.2738 -2.2738 -0.2780 -0.2780 -0.2780 -0.2780 0.0202 0.0202 0.0202 0.0202 4.5614 4.5614 4.5614 4.5614 5.4156 5.4156 5.4157 5.4157 7.2692 7.2692 7.2693 7.2693 k = 0.5000 0.5168 0.1324 ( 7690 PWs) bands (ev): -15.3280 -15.3280 -15.3280 -15.3280 -12.9554 -12.9554 -12.9554 -12.9554 -12.7083 -12.7083 -12.7083 -12.7083 -9.5331 -9.5331 -9.5323 -9.5323 -9.2886 -9.2886 -9.2878 -9.2878 -7.5416 -7.5416 -7.5416 -7.5416 -6.0959 -6.0959 -6.0958 -6.0958 -4.9139 -4.9139 -4.9135 -4.9135 -4.7540 -4.7540 -4.7530 -4.7530 -4.5068 -4.5068 -4.5054 -4.5054 -3.1751 -3.1751 -3.1751 -3.1751 -2.6709 -2.6709 -2.6693 -2.6693 -2.2763 -2.2763 -2.2745 -2.2745 -0.2766 -0.2766 -0.2765 -0.2765 0.0190 0.0190 0.0191 0.0191 4.5612 4.5612 4.5613 4.5613 5.4122 5.4122 5.4123 5.4123 7.2785 7.2785 7.2786 7.2786 k = 0.5000 0.5228 0.1170 ( 7688 PWs) bands (ev): -15.3282 -15.3282 -15.3282 -15.3282 -12.9550 -12.9550 -12.9550 -12.9550 -12.7086 -12.7086 -12.7086 -12.7086 -9.5289 -9.5289 -9.5281 -9.5281 -9.2922 -9.2922 -9.2914 -9.2914 -7.5434 -7.5434 -7.5434 -7.5434 -6.0947 -6.0947 -6.0946 -6.0946 -4.9111 -4.9111 -4.9107 -4.9107 -4.7508 -4.7508 -4.7497 -4.7497 -4.5131 -4.5131 -4.5117 -4.5117 -3.1820 -3.1820 -3.1820 -3.1820 -2.6627 -2.6627 -2.6611 -2.6611 -2.2771 -2.2771 -2.2753 -2.2753 -0.2747 -0.2747 -0.2746 -0.2746 0.0176 0.0176 0.0176 0.0176 4.5611 4.5611 4.5612 4.5612 5.4080 5.4080 5.4081 5.4081 7.2901 7.2901 7.2902 7.2902 k = 0.5000 0.5289 0.1016 ( 7676 PWs) bands (ev): -15.3283 -15.3283 -15.3283 -15.3283 -12.9544 -12.9544 -12.9544 -12.9544 -12.7090 -12.7090 -12.7090 -12.7090 -9.5239 -9.5239 -9.5231 -9.5231 -9.2965 -9.2965 -9.2957 -9.2957 -7.5455 -7.5455 -7.5455 -7.5455 -6.0934 -6.0934 -6.0933 -6.0933 -4.9079 -4.9079 -4.9076 -4.9076 -4.7467 -4.7467 -4.7456 -4.7456 -4.5205 -4.5205 -4.5191 -4.5191 -3.1899 -3.1899 -3.1899 -3.1899 -2.6533 -2.6533 -2.6518 -2.6518 -2.2780 -2.2780 -2.2763 -2.2763 -0.2725 -0.2725 -0.2724 -0.2724 0.0158 0.0158 0.0159 0.0159 4.5610 4.5610 4.5611 4.5611 5.4031 5.4031 5.4032 5.4032 7.3037 7.3037 7.3038 7.3038 k = 0.5000 0.5349 0.0862 ( 7668 PWs) bands (ev): -15.3285 -15.3285 -15.3285 -15.3285 -12.9538 -12.9538 -12.9538 -12.9538 -12.7093 -12.7093 -12.7093 -12.7093 -9.5181 -9.5181 -9.5173 -9.5173 -9.3016 -9.3016 -9.3007 -9.3007 -7.5479 -7.5479 -7.5478 -7.5478 -6.0920 -6.0920 -6.0919 -6.0919 -4.9044 -4.9044 -4.9041 -4.9041 -4.7418 -4.7418 -4.7406 -4.7406 -4.5290 -4.5290 -4.5276 -4.5276 -3.1986 -3.1986 -3.1986 -3.1986 -2.6429 -2.6429 -2.6414 -2.6414 -2.2791 -2.2791 -2.2775 -2.2775 -0.2700 -0.2700 -0.2699 -0.2699 0.0138 0.0138 0.0138 0.0138 4.5609 4.5609 4.5609 4.5609 5.3976 5.3976 5.3977 5.3977 7.3190 7.3190 7.3191 7.3191 k = 0.5000 0.5410 0.0708 ( 7664 PWs) bands (ev): -15.3288 -15.3288 -15.3288 -15.3288 -12.9531 -12.9531 -12.9531 -12.9531 -12.7097 -12.7097 -12.7097 -12.7097 -9.5117 -9.5117 -9.5109 -9.5109 -9.3072 -9.3072 -9.3064 -9.3064 -7.5504 -7.5504 -7.5504 -7.5504 -6.0905 -6.0905 -6.0904 -6.0904 -4.9009 -4.9009 -4.9006 -4.9006 -4.7360 -4.7360 -4.7348 -4.7348 -4.5384 -4.5384 -4.5370 -4.5370 -3.2079 -3.2079 -3.2078 -3.2078 -2.6319 -2.6319 -2.6305 -2.6305 -2.2802 -2.2802 -2.2787 -2.2787 -0.2671 -0.2671 -0.2670 -0.2670 0.0114 0.0114 0.0115 0.0115 4.5608 4.5608 4.5608 4.5608 5.3916 5.3916 5.3916 5.3916 7.3358 7.3358 7.3359 7.3359 k = 0.5000 0.5471 0.0554 ( 7674 PWs) bands (ev): -15.3290 -15.3290 -15.3290 -15.3290 -12.9524 -12.9524 -12.9524 -12.9524 -12.7101 -12.7101 -12.7101 -12.7101 -9.5046 -9.5046 -9.5038 -9.5038 -9.3134 -9.3134 -9.3126 -9.3126 -7.5532 -7.5532 -7.5532 -7.5532 -6.0891 -6.0891 -6.0890 -6.0890 -4.8974 -4.8974 -4.8972 -4.8972 -4.7293 -4.7293 -4.7282 -4.7282 -4.5485 -4.5485 -4.5471 -4.5471 -3.2175 -3.2175 -3.2174 -3.2174 -2.6205 -2.6205 -2.6192 -2.6192 -2.2814 -2.2814 -2.2799 -2.2799 -0.2641 -0.2641 -0.2640 -0.2640 0.0089 0.0089 0.0090 0.0090 4.5607 4.5607 4.5608 4.5608 5.3852 5.3852 5.3852 5.3852 7.3535 7.3535 7.3536 7.3536 k = 0.5000 0.5531 0.0401 ( 7676 PWs) bands (ev): -15.3293 -15.3293 -15.3293 -15.3293 -12.9517 -12.9517 -12.9517 -12.9517 -12.7103 -12.7103 -12.7103 -12.7103 -9.4970 -9.4970 -9.4962 -9.4962 -9.3201 -9.3201 -9.3193 -9.3193 -7.5560 -7.5560 -7.5560 -7.5560 -6.0877 -6.0877 -6.0876 -6.0876 -4.8941 -4.8941 -4.8939 -4.8939 -4.7219 -4.7219 -4.7207 -4.7207 -4.5590 -4.5590 -4.5576 -4.5576 -3.2273 -3.2273 -3.2272 -3.2272 -2.6091 -2.6091 -2.6079 -2.6079 -2.2826 -2.2826 -2.2812 -2.2812 -0.2608 -0.2608 -0.2607 -0.2607 0.0061 0.0061 0.0062 0.0062 4.5607 4.5607 4.5608 4.5608 5.3785 5.3785 5.3785 5.3785 7.3719 7.3719 7.3720 7.3720 k = 0.5000 0.5592 0.0247 ( 7684 PWs) bands (ev): -15.3297 -15.3297 -15.3297 -15.3297 -12.9509 -12.9509 -12.9509 -12.9509 -12.7106 -12.7106 -12.7106 -12.7106 -9.4891 -9.4891 -9.4883 -9.4883 -9.3272 -9.3272 -9.3264 -9.3264 -7.5589 -7.5589 -7.5589 -7.5589 -6.0864 -6.0864 -6.0863 -6.0863 -4.8911 -4.8911 -4.8909 -4.8909 -4.7137 -4.7137 -4.7126 -4.7126 -4.5696 -4.5696 -4.5683 -4.5683 -3.2370 -3.2370 -3.2369 -3.2369 -2.5978 -2.5978 -2.5967 -2.5967 -2.2836 -2.2836 -2.2824 -2.2824 -0.2574 -0.2574 -0.2574 -0.2574 0.0032 0.0032 0.0032 0.0032 4.5608 4.5608 4.5609 4.5609 5.3717 5.3717 5.3717 5.3717 7.3904 7.3904 7.3905 7.3905 k = 0.5000 0.5652 0.0093 ( 7690 PWs) bands (ev): -15.3300 -15.3300 -15.3300 -15.3300 -12.9502 -12.9502 -12.9502 -12.9502 -12.7107 -12.7107 -12.7107 -12.7107 -9.4809 -9.4809 -9.4802 -9.4802 -9.3344 -9.3344 -9.3337 -9.3337 -7.5618 -7.5618 -7.5618 -7.5618 -6.0853 -6.0853 -6.0853 -6.0853 -4.8886 -4.8886 -4.8884 -4.8884 -4.7050 -4.7050 -4.7039 -4.7039 -4.5800 -4.5800 -4.5787 -4.5787 -3.2466 -3.2466 -3.2465 -3.2465 -2.5869 -2.5869 -2.5859 -2.5859 -2.2846 -2.2846 -2.2834 -2.2834 -0.2540 -0.2540 -0.2539 -0.2539 0.0001 0.0001 0.0001 0.0001 4.5611 4.5611 4.5611 4.5611 5.3648 5.3648 5.3648 5.3648 7.4086 7.4086 7.4088 7.4088 k = 0.5000 0.5652 0.0093 ( 7690 PWs) bands (ev): -15.3300 -15.3300 -15.3300 -15.3300 -12.9502 -12.9502 -12.9502 -12.9502 -12.7107 -12.7107 -12.7107 -12.7107 -9.4809 -9.4809 -9.4802 -9.4802 -9.3344 -9.3344 -9.3337 -9.3337 -7.5618 -7.5618 -7.5618 -7.5618 -6.0853 -6.0853 -6.0853 -6.0853 -4.8886 -4.8886 -4.8884 -4.8884 -4.7050 -4.7050 -4.7039 -4.7039 -4.5800 -4.5800 -4.5787 -4.5787 -3.2466 -3.2466 -3.2465 -3.2465 -2.5869 -2.5869 -2.5859 -2.5859 -2.2846 -2.2846 -2.2834 -2.2834 -0.2540 -0.2540 -0.2539 -0.2539 0.0001 0.0001 0.0001 0.0001 4.5611 4.5611 4.5611 4.5611 5.3648 5.3648 5.3648 5.3648 7.4086 7.4086 7.4088 7.4088 k = 0.5000 0.5592-0.0069 ( 7686 PWs) bands (ev): -15.3296 -15.3296 -15.3296 -15.3296 -12.9509 -12.9509 -12.9509 -12.9509 -12.7109 -12.7109 -12.7109 -12.7109 -9.4765 -9.4765 -9.4758 -9.4758 -9.3390 -9.3390 -9.3382 -9.3382 -7.5622 -7.5622 -7.5621 -7.5621 -6.0823 -6.0823 -6.0822 -6.0822 -4.8882 -4.8882 -4.8881 -4.8881 -4.7001 -4.7001 -4.6990 -4.6990 -4.5831 -4.5831 -4.5818 -4.5818 -3.2608 -3.2608 -3.2608 -3.2608 -2.5778 -2.5778 -2.5768 -2.5768 -2.2864 -2.2864 -2.2853 -2.2853 -0.2445 -0.2445 -0.2444 -0.2444 -0.0027 -0.0027 -0.0026 -0.0026 4.5583 4.5583 4.5583 4.5583 5.3634 5.3634 5.3634 5.3634 7.4198 7.4198 7.4200 7.4200 k = 0.5000 0.5531-0.0230 ( 7692 PWs) bands (ev): -15.3293 -15.3293 -15.3293 -15.3293 -12.9515 -12.9515 -12.9515 -12.9515 -12.7110 -12.7110 -12.7110 -12.7110 -9.4721 -9.4721 -9.4714 -9.4714 -9.3436 -9.3436 -9.3429 -9.3429 -7.5626 -7.5626 -7.5626 -7.5626 -6.0794 -6.0794 -6.0793 -6.0793 -4.8879 -4.8879 -4.8878 -4.8878 -4.6951 -4.6951 -4.6940 -4.6940 -4.5859 -4.5859 -4.5846 -4.5846 -3.2748 -3.2748 -3.2747 -3.2747 -2.5691 -2.5691 -2.5681 -2.5681 -2.2881 -2.2881 -2.2871 -2.2871 -0.2346 -0.2346 -0.2345 -0.2345 -0.0059 -0.0059 -0.0059 -0.0059 4.5557 4.5557 4.5557 4.5557 5.3618 5.3618 5.3618 5.3618 7.4308 7.4308 7.4309 7.4309 k = 0.5000 0.5471-0.0392 ( 7692 PWs) bands (ev): -15.3290 -15.3290 -15.3290 -15.3290 -12.9521 -12.9521 -12.9521 -12.9521 -12.7112 -12.7112 -12.7112 -12.7112 -9.4677 -9.4677 -9.4670 -9.4670 -9.3483 -9.3483 -9.3476 -9.3476 -7.5631 -7.5631 -7.5631 -7.5631 -6.0766 -6.0766 -6.0766 -6.0766 -4.8876 -4.8876 -4.8875 -4.8875 -4.6902 -4.6902 -4.6891 -4.6891 -4.5885 -4.5885 -4.5872 -4.5872 -3.2882 -3.2882 -3.2882 -3.2882 -2.5608 -2.5608 -2.5600 -2.5600 -2.2897 -2.2897 -2.2888 -2.2888 -0.2245 -0.2245 -0.2244 -0.2244 -0.0096 -0.0096 -0.0096 -0.0096 4.5534 4.5534 4.5534 4.5534 5.3602 5.3602 5.3602 5.3602 7.4414 7.4414 7.4415 7.4415 k = 0.5000 0.5410-0.0554 ( 7686 PWs) bands (ev): -15.3287 -15.3287 -15.3287 -15.3287 -12.9526 -12.9526 -12.9526 -12.9526 -12.7113 -12.7113 -12.7113 -12.7113 -9.4632 -9.4632 -9.4625 -9.4625 -9.3529 -9.3529 -9.3522 -9.3522 -7.5636 -7.5636 -7.5636 -7.5636 -6.0741 -6.0741 -6.0740 -6.0740 -4.8874 -4.8874 -4.8873 -4.8873 -4.6854 -4.6854 -4.6843 -4.6843 -4.5908 -4.5908 -4.5896 -4.5896 -3.3010 -3.3010 -3.3009 -3.3009 -2.5532 -2.5532 -2.5524 -2.5524 -2.2912 -2.2912 -2.2903 -2.2903 -0.2144 -0.2144 -0.2143 -0.2143 -0.0137 -0.0137 -0.0137 -0.0137 4.5513 4.5513 4.5513 4.5513 5.3585 5.3585 5.3585 5.3585 7.4515 7.4515 7.4516 7.4516 k = 0.5000 0.5349-0.0715 ( 7690 PWs) bands (ev): -15.3285 -15.3285 -15.3285 -15.3285 -12.9531 -12.9531 -12.9531 -12.9531 -12.7114 -12.7114 -12.7114 -12.7114 -9.4588 -9.4588 -9.4582 -9.4582 -9.3575 -9.3575 -9.3568 -9.3568 -7.5641 -7.5641 -7.5641 -7.5641 -6.0718 -6.0718 -6.0717 -6.0717 -4.8873 -4.8873 -4.8872 -4.8872 -4.6807 -4.6807 -4.6797 -4.6797 -4.5929 -4.5929 -4.5917 -4.5917 -3.3127 -3.3127 -3.3127 -3.3127 -2.5462 -2.5462 -2.5455 -2.5455 -2.2926 -2.2926 -2.2918 -2.2918 -0.2045 -0.2045 -0.2044 -0.2044 -0.0181 -0.0181 -0.0181 -0.0181 4.5494 4.5494 4.5494 4.5494 5.3569 5.3569 5.3569 5.3569 7.4610 7.4610 7.4611 7.4611 k = 0.5000 0.5289-0.0877 ( 7686 PWs) bands (ev): -15.3283 -15.3283 -15.3283 -15.3283 -12.9535 -12.9535 -12.9535 -12.9535 -12.7115 -12.7115 -12.7115 -12.7115 -9.4546 -9.4546 -9.4539 -9.4539 -9.3619 -9.3619 -9.3612 -9.3612 -7.5646 -7.5646 -7.5646 -7.5646 -6.0697 -6.0697 -6.0697 -6.0697 -4.8872 -4.8872 -4.8871 -4.8871 -4.6765 -4.6765 -4.6755 -4.6755 -4.5947 -4.5947 -4.5936 -4.5936 -3.3233 -3.3233 -3.3233 -3.3233 -2.5400 -2.5400 -2.5394 -2.5394 -2.2938 -2.2938 -2.2931 -2.2931 -0.1949 -0.1949 -0.1948 -0.1948 -0.0227 -0.0227 -0.0227 -0.0227 4.5478 4.5478 4.5478 4.5478 5.3553 5.3553 5.3553 5.3553 7.4697 7.4697 7.4698 7.4698 k = 0.5000 0.5228-0.1038 ( 7690 PWs) bands (ev): -15.3281 -15.3281 -15.3281 -15.3281 -12.9538 -12.9538 -12.9538 -12.9538 -12.7116 -12.7116 -12.7116 -12.7116 -9.4505 -9.4505 -9.4499 -9.4499 -9.3660 -9.3660 -9.3654 -9.3654 -7.5651 -7.5651 -7.5650 -7.5650 -6.0679 -6.0679 -6.0679 -6.0679 -4.8871 -4.8871 -4.8870 -4.8870 -4.6726 -4.6726 -4.6717 -4.6717 -4.5962 -4.5962 -4.5953 -4.5953 -3.3326 -3.3326 -3.3326 -3.3326 -2.5347 -2.5347 -2.5342 -2.5342 -2.2948 -2.2948 -2.2942 -2.2942 -0.1859 -0.1859 -0.1858 -0.1858 -0.0274 -0.0274 -0.0273 -0.0273 4.5464 4.5464 4.5464 4.5464 5.3539 5.3539 5.3539 5.3539 7.4774 7.4774 7.4775 7.4775 k = 0.5000 0.5168-0.1200 ( 7698 PWs) bands (ev): -15.3280 -15.3280 -15.3280 -15.3280 -12.9541 -12.9541 -12.9541 -12.9541 -12.7117 -12.7117 -12.7117 -12.7117 -9.4468 -9.4468 -9.4463 -9.4463 -9.3698 -9.3698 -9.3693 -9.3693 -7.5655 -7.5655 -7.5655 -7.5655 -6.0664 -6.0664 -6.0664 -6.0664 -4.8870 -4.8870 -4.8870 -4.8870 -4.6693 -4.6693 -4.6685 -4.6685 -4.5975 -4.5975 -4.5967 -4.5967 -3.3405 -3.3405 -3.3404 -3.3404 -2.5302 -2.5302 -2.5298 -2.5298 -2.2957 -2.2957 -2.2952 -2.2952 -0.1778 -0.1778 -0.1777 -0.1777 -0.0318 -0.0318 -0.0318 -0.0318 4.5453 4.5453 4.5453 4.5453 5.3526 5.3526 5.3526 5.3526 7.4841 7.4841 7.4842 7.4842 k = 0.5000 0.5107-0.1362 ( 7696 PWs) bands (ev): -15.3278 -15.3278 -15.3278 -15.3278 -12.9543 -12.9543 -12.9543 -12.9543 -12.7117 -12.7117 -12.7117 -12.7117 -9.4436 -9.4436 -9.4432 -9.4432 -9.3730 -9.3730 -9.3726 -9.3726 -7.5658 -7.5658 -7.5658 -7.5658 -6.0652 -6.0652 -6.0652 -6.0652 -4.8870 -4.8870 -4.8869 -4.8869 -4.6665 -4.6665 -4.6659 -4.6659 -4.5985 -4.5985 -4.5978 -4.5978 -3.3467 -3.3467 -3.3467 -3.3467 -2.5267 -2.5267 -2.5263 -2.5263 -2.2964 -2.2964 -2.2960 -2.2960 -0.1708 -0.1708 -0.1708 -0.1708 -0.0358 -0.0358 -0.0358 -0.0358 4.5445 4.5445 4.5445 4.5445 5.3516 5.3516 5.3516 5.3516 7.4895 7.4895 7.4896 7.4896 k = 0.5000 0.5047-0.1523 ( 7698 PWs) bands (ev): -15.3278 -15.3278 -15.3278 -15.3278 -12.9544 -12.9544 -12.9544 -12.9544 -12.7117 -12.7117 -12.7117 -12.7117 -9.4410 -9.4410 -9.4407 -9.4407 -9.3755 -9.3755 -9.3752 -9.3752 -7.5660 -7.5660 -7.5660 -7.5660 -6.0644 -6.0644 -6.0644 -6.0644 -4.8869 -4.8869 -4.8869 -4.8869 -4.6645 -4.6645 -4.6640 -4.6640 -4.5991 -4.5991 -4.5987 -4.5987 -3.3512 -3.3512 -3.3512 -3.3512 -2.5241 -2.5241 -2.5239 -2.5239 -2.2969 -2.2969 -2.2966 -2.2966 -0.1655 -0.1655 -0.1655 -0.1655 -0.0390 -0.0390 -0.0390 -0.0390 4.5438 4.5438 4.5438 4.5438 5.3508 5.3508 5.3508 5.3508 7.4935 7.4935 7.4935 7.4935 k = 0.5000 0.4986-0.1685 ( 7702 PWs) bands (ev): -15.3277 -15.3277 -15.3277 -15.3277 -12.9545 -12.9545 -12.9545 -12.9545 -12.7118 -12.7118 -12.7118 -12.7118 -9.4394 -9.4394 -9.4392 -9.4392 -9.3771 -9.3771 -9.3770 -9.3770 -7.5662 -7.5662 -7.5662 -7.5662 -6.0639 -6.0639 -6.0639 -6.0639 -4.8869 -4.8869 -4.8869 -4.8869 -4.6631 -4.6631 -4.6629 -4.6629 -4.5995 -4.5995 -4.5993 -4.5993 -3.3540 -3.3540 -3.3540 -3.3540 -2.5225 -2.5225 -2.5224 -2.5224 -2.2971 -2.2971 -2.2970 -2.2970 -0.1621 -0.1621 -0.1621 -0.1621 -0.0411 -0.0411 -0.0411 -0.0411 4.5435 4.5435 4.5435 4.5435 5.3503 5.3503 5.3503 5.3503 7.4960 7.4960 7.4960 7.4960 k = 0.5000 0.4925-0.1846 ( 7704 PWs) bands (ev): -15.3277 -15.3277 -15.3277 -15.3277 -12.9546 -12.9546 -12.9546 -12.9546 -12.7118 -12.7118 -12.7118 -12.7118 -9.4387 -9.4387 -9.4387 -9.4387 -9.3776 -9.3776 -9.3776 -9.3776 -7.5662 -7.5662 -7.5662 -7.5662 -6.0637 -6.0637 -6.0637 -6.0637 -4.8869 -4.8869 -4.8869 -4.8869 -4.6626 -4.6626 -4.6626 -4.6626 -4.5995 -4.5995 -4.5995 -4.5995 -3.3549 -3.3549 -3.3549 -3.3549 -2.5220 -2.5220 -2.5220 -2.5220 -2.2972 -2.2972 -2.2972 -2.2972 -0.1609 -0.1609 -0.1609 -0.1609 -0.0419 -0.0419 -0.0419 -0.0419 4.5434 4.5434 4.5434 4.5434 5.3502 5.3502 5.3502 5.3502 7.4968 7.4968 7.4968 7.4968 k = 0.5000 0.4925-0.1846 ( 7704 PWs) bands (ev): -15.3277 -15.3277 -15.3277 -15.3277 -12.9546 -12.9546 -12.9546 -12.9546 -12.7118 -12.7118 -12.7118 -12.7118 -9.4387 -9.4387 -9.4387 -9.4387 -9.3776 -9.3776 -9.3776 -9.3776 -7.5662 -7.5662 -7.5662 -7.5662 -6.0637 -6.0637 -6.0637 -6.0637 -4.8869 -4.8869 -4.8869 -4.8869 -4.6626 -4.6626 -4.6626 -4.6626 -4.5995 -4.5995 -4.5995 -4.5995 -3.3549 -3.3549 -3.3549 -3.3549 -2.5220 -2.5220 -2.5220 -2.5220 -2.2972 -2.2972 -2.2972 -2.2972 -0.1609 -0.1609 -0.1609 -0.1609 -0.0419 -0.0419 -0.0419 -0.0419 4.5434 4.5434 4.5434 4.5434 5.3502 5.3502 5.3502 5.3502 7.4968 7.4968 7.4968 7.4968 k = 0.4828 0.4925-0.1846 ( 7706 PWs) bands (ev): -15.3310 -15.3310 -15.3246 -15.3246 -12.9580 -12.9580 -12.9511 -12.9511 -12.7127 -12.7127 -12.7103 -12.7103 -9.4404 -9.4404 -9.4377 -9.4377 -9.3773 -9.3773 -9.3771 -9.3771 -7.5760 -7.5760 -7.5568 -7.5568 -6.0729 -6.0729 -6.0553 -6.0553 -4.8879 -4.8879 -4.8860 -4.8860 -4.6661 -4.6661 -4.6599 -4.6599 -4.6127 -4.6127 -4.5856 -4.5856 -3.3728 -3.3728 -3.3353 -3.3353 -2.5258 -2.5258 -2.5185 -2.5185 -2.2971 -2.2971 -2.2969 -2.2969 -0.1671 -0.1671 -0.1552 -0.1552 -0.0501 -0.0501 -0.0355 -0.0355 4.5407 4.5407 4.5476 4.5476 5.3310 5.3310 5.3671 5.3671 7.4795 7.4795 7.5136 7.5136 k = 0.4655 0.4925-0.1846 ( 7704 PWs) bands (ev): -15.3346 -15.3346 -15.3218 -15.3218 -12.9614 -12.9614 -12.9475 -12.9475 -12.7131 -12.7131 -12.7084 -12.7084 -9.4425 -9.4425 -9.4374 -9.4374 -9.3761 -9.3761 -9.3756 -9.3756 -7.5863 -7.5863 -7.5479 -7.5479 -6.0829 -6.0829 -6.0478 -6.0478 -4.8891 -4.8891 -4.8854 -4.8854 -4.6705 -4.6705 -4.6576 -4.6576 -4.6245 -4.6245 -4.5712 -4.5712 -3.3888 -3.3888 -3.3142 -3.3142 -2.5299 -2.5299 -2.5154 -2.5154 -2.2965 -2.2965 -2.2960 -2.2960 -0.1741 -0.1741 -0.1500 -0.1500 -0.0600 -0.0600 -0.0311 -0.0311 4.5396 4.5396 4.5532 4.5532 5.3096 5.3096 5.3817 5.3817 7.4620 7.4620 7.5301 7.5301 k = 0.4483 0.4925-0.1846 ( 7700 PWs) bands (ev): -15.3384 -15.3384 -15.3192 -15.3192 -12.9648 -12.9648 -12.9438 -12.9438 -12.7130 -12.7130 -12.7062 -12.7062 -9.4450 -9.4450 -9.4379 -9.4379 -9.3743 -9.3743 -9.3731 -9.3731 -7.5969 -7.5969 -7.5393 -7.5393 -6.0937 -6.0937 -6.0411 -6.0411 -4.8904 -4.8904 -4.8850 -4.8850 -4.6765 -4.6765 -4.6558 -4.6558 -4.6342 -4.6342 -4.5566 -4.5566 -3.4029 -3.4029 -3.2917 -3.2917 -2.5345 -2.5345 -2.5126 -2.5126 -2.2956 -2.2956 -2.2947 -2.2947 -0.1823 -0.1823 -0.1450 -0.1450 -0.0712 -0.0712 -0.0287 -0.0287 4.5402 4.5402 4.5602 4.5602 5.2862 5.2862 5.3940 5.3940 7.4443 7.4443 7.5461 7.5461 k = 0.4310 0.4925-0.1846 ( 7698 PWs) bands (ev): -15.3423 -15.3423 -15.3168 -15.3168 -12.9682 -12.9682 -12.9400 -12.9400 -12.7122 -12.7122 -12.7036 -12.7036 -9.4476 -9.4476 -9.4392 -9.4392 -9.3719 -9.3719 -9.3695 -9.3695 -7.6079 -7.6079 -7.5312 -7.5312 -6.1052 -6.1052 -6.0352 -6.0352 -4.8917 -4.8917 -4.8850 -4.8850 -4.6843 -4.6843 -4.6546 -4.6546 -4.6412 -4.6412 -4.5421 -4.5421 -3.4148 -3.4148 -3.2681 -3.2681 -2.5395 -2.5395 -2.5100 -2.5100 -2.2942 -2.2942 -2.2929 -2.2929 -0.1921 -0.1921 -0.1403 -0.1403 -0.0830 -0.0830 -0.0282 -0.0282 4.5423 4.5423 4.5683 4.5683 5.2610 5.2610 5.4039 5.4039 7.4265 7.4265 7.5616 7.5616 k = 0.4138 0.4925-0.1846 ( 7694 PWs) bands (ev): -15.3465 -15.3465 -15.3148 -15.3148 -12.9716 -12.9716 -12.9360 -12.9360 -12.7107 -12.7107 -12.7008 -12.7008 -9.4503 -9.4503 -9.4413 -9.4413 -9.3692 -9.3692 -9.3650 -9.3650 -7.6192 -7.6192 -7.5234 -7.5234 -6.1174 -6.1174 -6.0301 -6.0301 -4.8931 -4.8931 -4.8852 -4.8852 -4.6938 -4.6938 -4.6538 -4.6538 -4.6456 -4.6456 -4.5277 -4.5277 -3.4243 -3.4243 -3.2434 -3.2434 -2.5449 -2.5449 -2.5078 -2.5078 -2.2926 -2.2926 -2.2906 -2.2906 -0.2043 -0.2043 -0.1360 -0.1360 -0.0946 -0.0946 -0.0295 -0.0295 4.5459 4.5459 4.5773 4.5773 5.2342 5.2342 5.4115 5.4115 7.4089 7.4089 7.5767 7.5767 k = 0.3966 0.4925-0.1846 ( 7694 PWs) bands (ev): -15.3508 -15.3508 -15.3130 -15.3130 -12.9752 -12.9752 -12.9319 -12.9319 -12.7086 -12.7086 -12.6977 -12.6977 -9.4531 -9.4531 -9.4440 -9.4440 -9.3661 -9.3661 -9.3597 -9.3597 -7.6309 -7.6309 -7.5160 -7.5160 -6.1303 -6.1303 -6.0258 -6.0258 -4.8945 -4.8945 -4.8859 -4.8859 -4.7042 -4.7042 -4.6537 -4.6537 -4.6480 -4.6480 -4.5137 -4.5137 -3.4314 -3.4314 -3.2178 -3.2178 -2.5507 -2.5507 -2.5058 -2.5058 -2.2907 -2.2907 -2.2877 -2.2877 -0.2196 -0.2196 -0.1321 -0.1321 -0.1055 -0.1055 -0.0323 -0.0323 4.5509 4.5509 4.5870 4.5870 5.2062 5.2062 5.4170 5.4170 7.3916 7.3916 7.5912 7.5912 k = 0.3793 0.4925-0.1846 ( 7686 PWs) bands (ev): -15.3552 -15.3552 -15.3114 -15.3114 -12.9788 -12.9788 -12.9276 -12.9276 -12.7059 -12.7059 -12.6945 -12.6945 -9.4559 -9.4559 -9.4473 -9.4473 -9.3626 -9.3626 -9.3536 -9.3536 -7.6428 -7.6428 -7.5090 -7.5090 -6.1438 -6.1438 -6.0222 -6.0222 -4.8960 -4.8960 -4.8871 -4.8871 -4.7148 -4.7148 -4.6543 -4.6543 -4.6488 -4.6488 -4.5002 -4.5002 -3.4360 -3.4360 -3.1915 -3.1915 -2.5571 -2.5571 -2.5041 -2.5041 -2.2886 -2.2886 -2.2844 -2.2844 -0.2382 -0.2382 -0.1289 -0.1289 -0.1148 -0.1148 -0.0362 -0.0362 4.5572 4.5572 4.5970 4.5970 5.1773 5.1773 5.4205 5.4205 7.3749 7.3749 7.6051 7.6051 k = 0.3621 0.4925-0.1846 ( 7676 PWs) bands (ev): -15.3597 -15.3597 -15.3101 -15.3101 -12.9825 -12.9825 -12.9232 -12.9232 -12.7025 -12.7025 -12.6912 -12.6912 -9.4587 -9.4587 -9.4511 -9.4511 -9.3588 -9.3588 -9.3471 -9.3471 -7.6549 -7.6549 -7.5023 -7.5023 -6.1578 -6.1578 -6.0193 -6.0193 -4.8974 -4.8974 -4.8888 -4.8888 -4.7252 -4.7252 -4.6556 -4.6556 -4.6486 -4.6486 -4.4872 -4.4872 -3.4380 -3.4380 -3.1645 -3.1645 -2.5639 -2.5639 -2.5026 -2.5026 -2.2863 -2.2863 -2.2807 -2.2807 -0.2605 -0.2605 -0.1267 -0.1267 -0.1224 -0.1224 -0.0408 -0.0408 4.5645 4.5645 4.6071 4.6071 5.1479 5.1479 5.4222 5.4222 7.3589 7.3589 7.6181 7.6181 k = 0.3448 0.4925-0.1846 ( 7686 PWs) bands (ev): -15.3642 -15.3642 -15.3091 -15.3091 -12.9863 -12.9863 -12.9187 -12.9187 -12.6984 -12.6984 -12.6879 -12.6879 -9.4615 -9.4615 -9.4552 -9.4552 -9.3548 -9.3548 -9.3401 -9.3401 -7.6672 -7.6672 -7.4960 -7.4960 -6.1723 -6.1723 -6.0172 -6.0172 -4.8988 -4.8988 -4.8911 -4.8911 -4.7348 -4.7348 -4.6577 -4.6577 -4.6475 -4.6475 -4.4748 -4.4748 -3.4374 -3.4374 -3.1371 -3.1371 -2.5711 -2.5711 -2.5013 -2.5013 -2.2839 -2.2839 -2.2766 -2.2766 -0.2860 -0.2860 -0.1283 -0.1283 -0.1259 -0.1259 -0.0455 -0.0455 4.5728 4.5728 4.6168 4.6168 5.1184 5.1184 5.4223 5.4223 7.3437 7.3437 7.6300 7.6300 k = 0.3276 0.4925-0.1846 ( 7684 PWs) bands (ev): -15.3688 -15.3688 -15.3082 -15.3082 -12.9902 -12.9902 -12.9140 -12.9140 -12.6938 -12.6938 -12.6845 -12.6845 -9.4642 -9.4642 -9.4596 -9.4596 -9.3505 -9.3505 -9.3327 -9.3327 -7.6796 -7.6796 -7.4899 -7.4899 -6.1870 -6.1870 -6.0156 -6.0156 -4.9001 -4.9001 -4.8940 -4.8940 -4.7436 -4.7436 -4.6606 -4.6606 -4.6456 -4.6456 -4.4631 -4.4631 -3.4342 -3.4342 -3.1093 -3.1093 -2.5789 -2.5789 -2.5003 -2.5003 -2.2814 -2.2814 -2.2721 -2.2721 -0.3143 -0.3143 -0.1328 -0.1328 -0.1271 -0.1271 -0.0494 -0.0494 4.5816 4.5816 4.6257 4.6257 5.0895 5.0895 5.4210 5.4210 7.3296 7.3296 7.6406 7.6406 k = 0.3103 0.4925-0.1846 ( 7676 PWs) bands (ev): -15.3734 -15.3734 -15.3076 -15.3076 -12.9941 -12.9941 -12.9093 -12.9093 -12.6887 -12.6887 -12.6811 -12.6811 -9.4670 -9.4670 -9.4642 -9.4642 -9.3459 -9.3459 -9.3252 -9.3252 -7.6921 -7.6921 -7.4842 -7.4842 -6.2020 -6.2020 -6.0146 -6.0146 -4.9014 -4.9014 -4.8977 -4.8977 -4.7513 -4.7513 -4.6643 -4.6643 -4.6431 -4.6431 -4.4521 -4.4521 -3.4285 -3.4285 -3.0812 -3.0812 -2.5871 -2.5871 -2.4995 -2.4995 -2.2789 -2.2789 -2.2673 -2.2673 -0.3450 -0.3450 -0.1360 -0.1360 -0.1307 -0.1307 -0.0520 -0.0520 4.5909 4.5909 4.6334 4.6334 5.0616 5.0616 5.4187 5.4187 7.3167 7.3167 7.6494 7.6494 k = 0.2931 0.4925-0.1846 ( 7678 PWs) bands (ev): -15.3780 -15.3780 -15.3071 -15.3071 -12.9980 -12.9980 -12.9045 -12.9045 -12.6831 -12.6831 -12.6777 -12.6777 -9.4698 -9.4698 -9.4689 -9.4689 -9.3411 -9.3411 -9.3174 -9.3174 -7.7045 -7.7045 -7.4788 -7.4788 -6.2172 -6.2172 -6.0141 -6.0141 -4.9027 -4.9027 -4.9020 -4.9020 -4.7578 -4.7578 -4.6687 -4.6687 -4.6401 -4.6401 -4.4419 -4.4419 -3.4204 -3.4204 -3.0530 -3.0530 -2.5958 -2.5958 -2.4989 -2.4989 -2.2764 -2.2764 -2.2624 -2.2624 -0.3775 -0.3775 -0.1383 -0.1383 -0.1370 -0.1370 -0.0529 -0.0529 4.6004 4.6004 4.6391 4.6391 5.0356 5.0356 5.4155 5.4155 7.3048 7.3048 7.6560 7.6560 k = 0.2759 0.4925-0.1846 ( 7682 PWs) bands (ev): -15.3825 -15.3825 -15.3069 -15.3069 -13.0020 -13.0020 -12.8997 -12.8997 -12.6771 -12.6771 -12.6744 -12.6744 -9.4741 -9.4741 -9.4723 -9.4723 -9.3361 -9.3361 -9.3096 -9.3096 -7.7167 -7.7167 -7.4737 -7.4737 -6.2324 -6.2324 -6.0141 -6.0141 -4.9070 -4.9070 -4.9038 -4.9038 -4.7631 -4.7631 -4.6739 -4.6739 -4.6366 -4.6366 -4.4324 -4.4324 -3.4101 -3.4101 -3.0248 -3.0248 -2.6049 -2.6049 -2.4986 -2.4986 -2.2739 -2.2739 -2.2572 -2.2572 -0.4114 -0.4114 -0.1457 -0.1457 -0.1398 -0.1398 -0.0520 -0.0520 4.6097 4.6097 4.6425 4.6425 5.0120 5.0120 5.4118 5.4118 7.2942 7.2942 7.6601 7.6601 k = 0.2586 0.4925-0.1846 ( 7684 PWs) bands (ev): -15.3870 -15.3870 -15.3067 -15.3067 -13.0059 -13.0059 -12.8950 -12.8950 -12.6713 -12.6713 -12.6709 -12.6709 -9.4790 -9.4790 -9.4750 -9.4750 -9.3310 -9.3310 -9.3019 -9.3019 -7.7288 -7.7288 -7.4689 -7.4689 -6.2475 -6.2475 -6.0145 -6.0145 -4.9126 -4.9126 -4.9048 -4.9048 -4.7673 -4.7673 -4.6796 -4.6796 -4.6327 -4.6327 -4.4237 -4.4237 -3.3977 -3.3977 -2.9968 -2.9968 -2.6145 -2.6145 -2.4985 -2.4985 -2.2715 -2.2715 -2.2519 -2.2519 -0.4462 -0.4462 -0.1562 -0.1562 -0.1406 -0.1406 -0.0499 -0.0499 4.6187 4.6187 4.6428 4.6428 4.9915 4.9915 5.4078 5.4078 7.2846 7.2847 7.6614 7.6614 k = 0.2414 0.4925-0.1846 ( 7690 PWs) bands (ev): -15.3913 -15.3913 -15.3067 -15.3067 -13.0098 -13.0098 -12.8903 -12.8903 -12.6682 -12.6682 -12.6645 -12.6645 -9.4840 -9.4840 -9.4776 -9.4776 -9.3257 -9.3257 -9.2942 -9.2942 -7.7405 -7.7405 -7.4644 -7.4644 -6.2624 -6.2624 -6.0153 -6.0153 -4.9186 -4.9186 -4.9058 -4.9058 -4.7705 -4.7705 -4.6858 -4.6858 -4.6286 -4.6286 -4.4157 -4.4157 -3.3836 -3.3836 -2.9690 -2.9690 -2.6244 -2.6244 -2.4986 -2.4986 -2.2693 -2.2693 -2.2466 -2.2466 -0.4815 -0.4815 -0.1681 -0.1681 -0.1409 -0.1409 -0.0468 -0.0468 4.6272 4.6272 4.6398 4.6398 4.9747 4.9747 5.4039 5.4039 7.2762 7.2762 7.6596 7.6596 k = 0.2241 0.4925-0.1846 ( 7690 PWs) bands (ev): -15.3954 -15.3954 -15.3068 -15.3068 -13.0136 -13.0136 -12.8857 -12.8857 -12.6652 -12.6652 -12.6579 -12.6579 -9.4889 -9.4889 -9.4802 -9.4802 -9.3205 -9.3205 -9.2866 -9.2866 -7.7519 -7.7519 -7.4601 -7.4601 -6.2770 -6.2770 -6.0164 -6.0164 -4.9249 -4.9249 -4.9067 -4.9067 -4.7727 -4.7727 -4.6924 -4.6924 -4.6243 -4.6243 -4.4084 -4.4084 -3.3679 -3.3679 -2.9416 -2.9416 -2.6347 -2.6347 -2.4989 -2.4989 -2.2672 -2.2672 -2.2414 -2.2414 -0.5168 -0.5168 -0.1807 -0.1807 -0.1408 -0.1408 -0.0431 -0.0431 4.6334 4.6334 4.6350 4.6350 4.9619 4.9619 5.4001 5.4001 7.2688 7.2688 7.6549 7.6549 k = 0.2069 0.4925-0.1846 ( 7684 PWs) bands (ev): -15.3994 -15.3994 -15.3071 -15.3071 -13.0173 -13.0173 -12.8813 -12.8813 -12.6624 -12.6624 -12.6513 -12.6513 -9.4937 -9.4937 -9.4826 -9.4826 -9.3152 -9.3152 -9.2793 -9.2793 -7.7628 -7.7628 -7.4561 -7.4561 -6.2911 -6.2911 -6.0177 -6.0177 -4.9313 -4.9313 -4.9075 -4.9075 -4.7741 -4.7741 -4.6992 -4.6992 -4.6199 -4.6199 -4.4018 -4.4018 -3.3510 -3.3510 -2.9148 -2.9148 -2.6453 -2.6453 -2.4995 -2.4995 -2.2652 -2.2652 -2.2363 -2.2363 -0.5518 -0.5518 -0.1937 -0.1937 -0.1404 -0.1404 -0.0391 -0.0391 4.6237 4.6237 4.6419 4.6419 4.9529 4.9529 5.3967 5.3967 7.2624 7.2624 7.6473 7.6473 k = 0.1897 0.4925-0.1846 ( 7676 PWs) bands (ev): -15.4032 -15.4032 -15.3073 -15.3073 -13.0208 -13.0208 -12.8770 -12.8770 -12.6598 -12.6598 -12.6449 -12.6449 -9.4984 -9.4984 -9.4850 -9.4850 -9.3101 -9.3101 -9.2723 -9.2723 -7.7732 -7.7732 -7.4524 -7.4524 -6.3046 -6.3046 -6.0192 -6.0192 -4.9377 -4.9377 -4.9082 -4.9082 -4.7749 -4.7749 -4.7062 -4.7062 -4.6154 -4.6154 -4.3958 -4.3958 -3.3333 -3.3333 -2.8888 -2.8888 -2.6561 -2.6561 -2.5003 -2.5003 -2.2635 -2.2635 -2.2313 -2.2313 -0.5860 -0.5860 -0.2067 -0.2067 -0.1397 -0.1397 -0.0349 -0.0349 4.6113 4.6113 4.6479 4.6479 4.9474 4.9474 5.3938 5.3938 7.2569 7.2569 7.6373 7.6373 k = 0.1724 0.4925-0.1846 ( 7678 PWs) bands (ev): -15.4067 -15.4067 -15.3077 -15.3077 -13.0241 -13.0241 -12.8730 -12.8730 -12.6573 -12.6573 -12.6386 -12.6386 -9.5029 -9.5029 -9.4873 -9.4873 -9.3050 -9.3050 -9.2657 -9.2657 -7.7830 -7.7830 -7.4490 -7.4490 -6.3175 -6.3175 -6.0209 -6.0209 -4.9440 -4.9440 -4.9089 -4.9089 -4.7752 -4.7752 -4.7131 -4.7131 -4.6110 -4.6110 -4.3905 -4.3905 -3.3150 -3.3150 -2.8636 -2.8636 -2.6670 -2.6670 -2.5013 -2.5013 -2.2620 -2.2620 -2.2265 -2.2265 -0.6190 -0.6190 -0.2195 -0.2195 -0.1387 -0.1387 -0.0307 -0.0307 4.5969 4.5969 4.6529 4.6529 4.9447 4.9447 5.3915 5.3915 7.2521 7.2521 7.6254 7.6254 k = 0.1552 0.4925-0.1846 ( 7682 PWs) bands (ev): -15.4100 -15.4100 -15.3080 -15.3080 -13.0272 -13.0272 -12.8693 -12.8693 -12.6550 -12.6550 -12.6326 -12.6326 -9.5071 -9.5071 -9.4894 -9.4894 -9.3002 -9.3002 -9.2595 -9.2595 -7.7920 -7.7920 -7.4459 -7.4459 -6.3295 -6.3295 -6.0226 -6.0226 -4.9499 -4.9499 -4.9094 -4.9094 -4.7751 -4.7751 -4.7198 -4.7198 -4.6067 -4.6067 -4.3857 -4.3857 -3.2965 -3.2965 -2.8396 -2.8396 -2.6779 -2.6779 -2.5025 -2.5025 -2.2607 -2.2607 -2.2221 -2.2221 -0.6505 -0.6505 -0.2318 -0.2318 -0.1377 -0.1377 -0.0265 -0.0265 4.5815 4.5815 4.6570 4.6570 4.9442 4.9442 5.3898 5.3898 7.2481 7.2481 7.6123 7.6123 k = 0.1379 0.4925-0.1846 ( 7676 PWs) bands (ev): -15.4130 -15.4130 -15.3084 -15.3084 -13.0300 -13.0300 -12.8658 -12.8658 -12.6530 -12.6530 -12.6269 -12.6269 -9.5110 -9.5110 -9.4914 -9.4914 -9.2957 -9.2957 -9.2538 -9.2538 -7.8003 -7.8003 -7.4431 -7.4431 -6.3406 -6.3406 -6.0243 -6.0243 -4.9555 -4.9555 -4.9099 -4.9099 -4.7747 -4.7747 -4.7262 -4.7262 -4.6027 -4.6027 -4.3815 -4.3815 -3.2783 -3.2783 -2.8170 -2.8170 -2.6887 -2.6887 -2.5039 -2.5039 -2.2597 -2.2597 -2.2179 -2.2179 -0.6800 -0.6800 -0.2433 -0.2433 -0.1366 -0.1366 -0.0226 -0.0226 4.5658 4.5658 4.6601 4.6601 4.9452 4.9452 5.3887 5.3887 7.2447 7.2447 7.5985 7.5985 k = 0.1207 0.4925-0.1846 ( 7672 PWs) bands (ev): -15.4157 -15.4157 -15.3088 -15.3088 -13.0326 -13.0326 -12.8627 -12.8627 -12.6511 -12.6511 -12.6217 -12.6217 -9.5146 -9.5146 -9.4932 -9.4932 -9.2915 -9.2915 -9.2487 -9.2487 -7.8078 -7.8078 -7.4406 -7.4406 -6.3506 -6.3506 -6.0259 -6.0259 -4.9605 -4.9605 -4.9103 -4.9103 -4.7742 -4.7742 -4.7322 -4.7322 -4.5989 -4.5989 -4.3778 -4.3778 -3.2606 -3.2606 -2.7959 -2.7959 -2.6992 -2.6992 -2.5055 -2.5055 -2.2588 -2.2588 -2.2142 -2.2142 -0.7071 -0.7071 -0.2539 -0.2539 -0.1355 -0.1355 -0.0190 -0.0190 4.5505 4.5505 4.6625 4.6625 4.9471 4.9471 5.3881 5.3881 7.2419 7.2419 7.5849 7.5849 k = 0.1034 0.4925-0.1846 ( 7670 PWs) bands (ev): -15.4181 -15.4181 -15.3092 -15.3092 -13.0349 -13.0349 -12.8599 -12.8599 -12.6495 -12.6495 -12.6171 -12.6171 -9.5178 -9.5178 -9.4948 -9.4948 -9.2877 -9.2877 -9.2441 -9.2441 -7.8144 -7.8144 -7.4384 -7.4384 -6.3596 -6.3596 -6.0275 -6.0275 -4.9650 -4.9650 -4.9107 -4.9107 -4.7736 -4.7736 -4.7377 -4.7377 -4.5954 -4.5954 -4.3747 -4.3747 -3.2440 -3.2440 -2.7767 -2.7767 -2.7092 -2.7092 -2.5072 -2.5072 -2.2582 -2.2582 -2.2108 -2.2108 -0.7315 -0.7315 -0.2634 -0.2634 -0.1344 -0.1344 -0.0157 -0.0157 4.5363 4.5363 4.6641 4.6641 4.9495 4.9495 5.3880 5.3880 7.2396 7.2396 7.5718 7.5718 k = 0.0862 0.4925-0.1846 ( 7672 PWs) bands (ev): -15.4201 -15.4201 -15.3095 -15.3095 -13.0368 -13.0368 -12.8575 -12.8575 -12.6481 -12.6481 -12.6130 -12.6130 -9.5206 -9.5206 -9.4962 -9.4962 -9.2844 -9.2844 -9.2402 -9.2402 -7.8201 -7.8201 -7.4366 -7.4366 -6.3673 -6.3673 -6.0289 -6.0289 -4.9690 -4.9690 -4.9110 -4.9110 -4.7730 -4.7730 -4.7424 -4.7424 -4.5924 -4.5924 -4.3721 -4.3721 -3.2289 -3.2289 -2.7597 -2.7597 -2.7183 -2.7183 -2.5089 -2.5089 -2.2578 -2.2578 -2.2080 -2.2080 -0.7528 -0.7528 -0.2718 -0.2718 -0.1334 -0.1334 -0.0128 -0.0128 4.5235 4.5235 4.6651 4.6651 4.9520 4.9520 5.3881 5.3881 7.2377 7.2377 7.5600 7.5600 k = 0.0690 0.4925-0.1846 ( 7678 PWs) bands (ev): -15.4218 -15.4218 -15.3098 -15.3098 -13.0385 -13.0385 -12.8555 -12.8555 -12.6469 -12.6469 -12.6096 -12.6096 -9.5229 -9.5229 -9.4974 -9.4974 -9.2817 -9.2817 -9.2369 -9.2369 -7.8248 -7.8248 -7.4350 -7.4350 -6.3738 -6.3738 -6.0301 -6.0301 -4.9722 -4.9722 -4.9112 -4.9112 -4.7724 -4.7724 -4.7465 -4.7465 -4.5898 -4.5898 -4.3700 -4.3700 -3.2157 -3.2157 -2.7451 -2.7451 -2.7265 -2.7265 -2.5106 -2.5106 -2.2575 -2.2575 -2.2056 -2.2056 -0.7708 -0.7708 -0.2787 -0.2787 -0.1325 -0.1325 -0.0103 -0.0103 4.5126 4.5126 4.6658 4.6658 4.9544 4.9544 5.3885 5.3885 7.2362 7.2362 7.5497 7.5497 k = 0.0517 0.4925-0.1846 ( 7676 PWs) bands (ev): -15.4231 -15.4231 -15.3100 -15.3100 -13.0397 -13.0397 -12.8540 -12.8540 -12.6461 -12.6461 -12.6069 -12.6069 -9.5248 -9.5248 -9.4983 -9.4983 -9.2795 -9.2795 -9.2343 -9.2343 -7.8284 -7.8284 -7.4338 -7.4338 -6.3788 -6.3788 -6.0310 -6.0310 -4.9748 -4.9748 -4.9114 -4.9114 -4.7719 -4.7719 -4.7497 -4.7497 -4.5878 -4.5878 -4.3683 -4.3683 -3.2049 -3.2049 -2.7334 -2.7334 -2.7331 -2.7331 -2.5121 -2.5121 -2.2573 -2.2573 -2.2037 -2.2037 -0.7850 -0.7850 -0.2843 -0.2843 -0.1318 -0.1318 -0.0084 -0.0084 4.5038 4.5038 4.6661 4.6661 4.9565 4.9565 5.3889 5.3889 7.2351 7.2351 7.5413 7.5413 k = 0.0345 0.4925-0.1846 ( 7670 PWs) bands (ev): -15.4241 -15.4241 -15.3102 -15.3102 -13.0407 -13.0407 -12.8528 -12.8528 -12.6454 -12.6454 -12.6049 -12.6049 -9.5261 -9.5261 -9.4990 -9.4990 -9.2779 -9.2779 -9.2325 -9.2325 -7.8311 -7.8311 -7.4330 -7.4330 -6.3825 -6.3825 -6.0317 -6.0317 -4.9766 -4.9766 -4.9115 -4.9115 -4.7716 -4.7716 -4.7521 -4.7521 -4.5863 -4.5863 -4.3672 -4.3672 -3.1968 -3.1968 -2.7382 -2.7382 -2.7246 -2.7246 -2.5133 -2.5133 -2.2572 -2.2572 -2.2023 -2.2023 -0.7953 -0.7953 -0.2883 -0.2883 -0.1312 -0.1312 -0.0070 -0.0070 4.4974 4.4974 4.6663 4.6663 4.9580 4.9580 5.3892 5.3892 7.2343 7.2343 7.5352 7.5352 k = 0.0172 0.4925-0.1846 ( 7680 PWs) bands (ev): -15.4247 -15.4247 -15.3103 -15.3103 -13.0412 -13.0412 -12.8521 -12.8521 -12.6450 -12.6450 -12.6037 -12.6037 -9.5269 -9.5269 -9.4994 -9.4994 -9.2769 -9.2769 -9.2314 -9.2314 -7.8327 -7.8327 -7.4324 -7.4324 -6.3847 -6.3847 -6.0322 -6.0322 -4.9777 -4.9777 -4.9116 -4.9116 -4.7713 -4.7713 -4.7535 -4.7535 -4.5854 -4.5854 -4.3665 -4.3665 -3.1918 -3.1918 -2.7414 -2.7414 -2.7193 -2.7193 -2.5141 -2.5141 -2.2571 -2.2571 -2.2015 -2.2015 -0.8016 -0.8016 -0.2907 -0.2907 -0.1309 -0.1309 -0.0061 -0.0061 4.4935 4.4935 4.6663 4.6663 4.9590 4.9590 5.3895 5.3895 7.2339 7.2339 7.5314 7.5314 k = 0.0000 0.4925-0.1846 ( 7680 PWs) bands (ev): -15.4249 -15.4249 -15.3103 -15.3103 -13.0414 -13.0414 -12.8519 -12.8519 -12.6449 -12.6449 -12.6033 -12.6033 -9.5272 -9.5272 -9.4995 -9.4995 -9.2766 -9.2766 -9.2310 -9.2310 -7.8332 -7.8332 -7.4323 -7.4323 -6.3854 -6.3854 -6.0323 -6.0323 -4.9781 -4.9781 -4.9116 -4.9116 -4.7712 -4.7712 -4.7540 -4.7540 -4.5851 -4.5851 -4.3662 -4.3662 -3.1901 -3.1901 -2.7425 -2.7425 -2.7175 -2.7175 -2.5144 -2.5144 -2.2571 -2.2571 -2.2013 -2.2013 -0.8037 -0.8037 -0.2915 -0.2915 -0.1308 -0.1308 -0.0059 -0.0059 4.4922 4.4922 4.6663 4.6663 4.9593 4.9593 5.3896 5.3896 7.2337 7.2337 7.5302 7.5302 k = 0.0000 0.4925-0.1846 ( 7680 PWs) bands (ev): -15.4249 -15.4249 -15.3103 -15.3103 -13.0414 -13.0414 -12.8519 -12.8519 -12.6449 -12.6449 -12.6033 -12.6033 -9.5272 -9.5272 -9.4995 -9.4995 -9.2766 -9.2766 -9.2310 -9.2310 -7.8332 -7.8332 -7.4323 -7.4323 -6.3854 -6.3854 -6.0323 -6.0323 -4.9781 -4.9781 -4.9116 -4.9116 -4.7712 -4.7712 -4.7540 -4.7540 -4.5851 -4.5851 -4.3662 -4.3662 -3.1901 -3.1901 -2.7425 -2.7425 -2.7175 -2.7175 -2.5144 -2.5144 -2.2571 -2.2571 -2.2013 -2.2013 -0.8037 -0.8037 -0.2915 -0.2915 -0.1308 -0.1308 -0.0059 -0.0059 4.4922 4.4922 4.6663 4.6663 4.9593 4.9593 5.3896 5.3896 7.2337 7.2337 7.5302 7.5302 k = 0.0000 0.4986-0.1685 ( 7676 PWs) bands (ev): -15.4247 -15.4247 -15.3106 -15.3106 -13.0412 -13.0412 -12.8519 -12.8519 -12.6448 -12.6448 -12.6035 -12.6035 -9.5271 -9.5271 -9.4996 -9.4996 -9.2767 -9.2767 -9.2310 -9.2310 -7.8333 -7.8333 -7.4325 -7.4325 -6.3852 -6.3852 -6.0325 -6.0325 -4.9779 -4.9779 -4.9116 -4.9116 -4.7711 -4.7711 -4.7534 -4.7534 -4.5849 -4.5849 -4.3663 -4.3663 -3.1904 -3.1904 -2.7515 -2.7515 -2.7097 -2.7097 -2.5141 -2.5141 -2.2569 -2.2569 -2.2011 -2.2011 -0.8030 -0.8030 -0.2920 -0.2920 -0.1306 -0.1306 -0.0065 -0.0065 4.4929 4.4929 4.6663 4.6663 4.9594 4.9594 5.3892 5.3892 7.2342 7.2342 7.5329 7.5329 k = 0.0000 0.5047-0.1523 ( 7678 PWs) bands (ev): -15.4241 -15.4241 -15.3114 -15.3114 -13.0404 -13.0404 -12.8520 -12.8520 -12.6447 -12.6447 -12.6039 -12.6039 -9.5268 -9.5268 -9.4998 -9.4998 -9.2768 -9.2768 -9.2310 -9.2310 -7.8333 -7.8333 -7.4334 -7.4334 -6.3845 -6.3845 -6.0330 -6.0330 -4.9773 -4.9773 -4.9116 -4.9116 -4.7707 -4.7707 -4.7518 -4.7518 -4.5845 -4.5845 -4.3666 -4.3666 -3.1912 -3.1912 -2.7684 -2.7684 -2.6968 -2.6968 -2.5132 -2.5132 -2.2564 -2.2564 -2.2006 -2.2006 -0.8008 -0.8008 -0.2936 -0.2936 -0.1300 -0.1300 -0.0083 -0.0083 4.4949 4.4949 4.6663 4.6663 4.9599 4.9599 5.3880 5.3880 7.2356 7.2356 7.5412 7.5412 k = 0.0000 0.5107-0.1362 ( 7680 PWs) bands (ev): -15.4231 -15.4231 -15.3127 -15.3127 -13.0392 -13.0392 -12.8520 -12.8520 -12.6445 -12.6445 -12.6047 -12.6047 -9.5264 -9.5264 -9.5001 -9.5001 -9.2771 -9.2771 -9.2311 -9.2311 -7.8333 -7.8333 -7.4348 -7.4348 -6.3834 -6.3834 -6.0339 -6.0339 -4.9763 -4.9763 -4.9115 -4.9115 -4.7699 -4.7699 -4.7490 -4.7490 -4.5838 -4.5838 -4.3670 -4.3670 -3.1924 -3.1924 -2.7876 -2.7876 -2.6841 -2.6841 -2.5117 -2.5117 -2.2556 -2.2556 -2.1998 -2.1998 -0.7973 -0.7973 -0.2963 -0.2963 -0.1290 -0.1290 -0.0113 -0.0113 4.4982 4.4982 4.6662 4.6662 4.9605 4.9605 5.3861 5.3861 7.2381 7.2381 7.5547 7.5547 k = 0.0000 0.5168-0.1200 ( 7677 PWs) bands (ev): -15.4217 -15.4217 -15.3145 -15.3145 -13.0374 -13.0374 -12.8521 -12.8521 -12.6442 -12.6442 -12.6058 -12.6058 -9.5258 -9.5258 -9.5004 -9.5004 -9.2774 -9.2774 -9.2311 -9.2311 -7.8334 -7.8334 -7.4367 -7.4367 -6.3818 -6.3818 -6.0351 -6.0351 -4.9749 -4.9749 -4.9114 -4.9114 -4.7690 -4.7690 -4.7453 -4.7453 -4.5828 -4.5828 -4.3677 -4.3677 -3.1941 -3.1941 -2.8084 -2.8084 -2.6722 -2.6722 -2.5097 -2.5097 -2.2544 -2.2544 -2.1987 -2.1987 -0.7923 -0.7923 -0.3001 -0.3001 -0.1276 -0.1276 -0.0154 -0.0154 4.5028 4.5028 4.6661 4.6661 4.9615 4.9615 5.3834 5.3834 7.2419 7.2419 7.5734 7.5734 k = 0.0000 0.5228-0.1038 ( 7677 PWs) bands (ev): -15.4199 -15.4199 -15.3169 -15.3169 -13.0352 -13.0352 -12.8523 -12.8523 -12.6438 -12.6438 -12.6072 -12.6072 -9.5251 -9.5251 -9.5009 -9.5009 -9.2779 -9.2779 -9.2312 -9.2312 -7.8334 -7.8334 -7.4391 -7.4391 -6.3798 -6.3798 -6.0367 -6.0367 -4.9731 -4.9731 -4.9113 -4.9113 -4.7677 -4.7677 -4.7406 -4.7406 -4.5815 -4.5815 -4.3685 -4.3685 -3.1960 -3.1960 -2.8304 -2.8304 -2.6614 -2.6614 -2.5071 -2.5071 -2.2530 -2.2530 -2.1974 -2.1974 -0.7859 -0.7859 -0.3050 -0.3050 -0.1259 -0.1259 -0.0206 -0.0206 4.5087 4.5087 4.6660 4.6660 4.9626 4.9626 5.3799 5.3799 7.2471 7.2471 7.5970 7.5970 k = 0.0000 0.5289-0.0877 ( 7675 PWs) bands (ev): -15.4178 -15.4178 -15.3197 -15.3197 -13.0325 -13.0325 -12.8526 -12.8526 -12.6433 -12.6433 -12.6089 -12.6089 -9.5243 -9.5243 -9.5015 -9.5015 -9.2784 -9.2784 -9.2313 -9.2313 -7.8335 -7.8335 -7.4421 -7.4421 -6.3774 -6.3774 -6.0387 -6.0387 -4.9710 -4.9710 -4.9112 -4.9112 -4.7662 -4.7662 -4.7350 -4.7350 -4.5801 -4.5801 -4.3695 -4.3695 -3.1981 -3.1981 -2.8534 -2.8534 -2.6517 -2.6517 -2.5042 -2.5042 -2.2512 -2.2512 -2.1960 -2.1960 -0.7781 -0.7781 -0.3113 -0.3113 -0.1238 -0.1238 -0.0266 -0.0266 4.5158 4.5158 4.6658 4.6658 4.9640 4.9640 5.3757 5.3757 7.2540 7.2540 7.6252 7.6252 k = 0.0000 0.5349-0.0715 ( 7678 PWs) bands (ev): -15.4153 -15.4153 -15.3230 -15.3230 -13.0294 -13.0294 -12.8529 -12.8529 -12.6427 -12.6427 -12.6109 -12.6109 -9.5233 -9.5233 -9.5023 -9.5023 -9.2791 -9.2791 -9.2313 -9.2313 -7.8334 -7.8334 -7.4455 -7.4455 -6.3746 -6.3746 -6.0411 -6.0411 -4.9685 -4.9685 -4.9111 -4.9111 -4.7645 -4.7645 -4.7287 -4.7287 -4.5784 -4.5784 -4.3707 -4.3707 -3.2002 -3.2002 -2.8773 -2.8773 -2.6430 -2.6430 -2.5009 -2.5009 -2.2491 -2.2491 -2.1944 -2.1944 -0.7690 -0.7690 -0.3188 -0.3188 -0.1214 -0.1214 -0.0335 -0.0335 4.5241 4.5241 4.6655 4.6655 4.9656 4.9656 5.3707 5.3707 7.2628 7.2628 7.6577 7.6577 k = 0.0000 0.5410-0.0554 ( 7677 PWs) bands (ev): -15.4125 -15.4125 -15.3267 -15.3267 -13.0258 -13.0258 -12.8533 -12.8533 -12.6419 -12.6419 -12.6131 -12.6131 -9.5222 -9.5222 -9.5030 -9.5030 -9.2798 -9.2798 -9.2314 -9.2314 -7.8334 -7.8334 -7.4494 -7.4494 -6.3714 -6.3714 -6.0438 -6.0438 -4.9656 -4.9656 -4.9109 -4.9109 -4.7625 -4.7625 -4.7218 -4.7218 -4.5766 -4.5766 -4.3721 -4.3721 -3.2021 -3.2021 -2.9017 -2.9017 -2.6353 -2.6353 -2.4974 -2.4974 -2.2468 -2.2468 -2.1929 -2.1929 -0.7586 -0.7586 -0.3276 -0.3276 -0.1187 -0.1187 -0.0410 -0.0410 4.5335 4.5335 4.6651 4.6651 4.9674 4.9674 5.3651 5.3651 7.2737 7.2737 7.6942 7.6942 k = 0.0000 0.5471-0.0392 ( 7675 PWs) bands (ev): -15.4093 -15.4093 -15.3308 -15.3308 -13.0217 -13.0217 -12.8539 -12.8539 -12.6410 -12.6410 -12.6157 -12.6157 -9.5210 -9.5210 -9.5039 -9.5039 -9.2805 -9.2805 -9.2314 -9.2314 -7.8332 -7.8332 -7.4538 -7.4538 -6.3679 -6.3679 -6.0470 -6.0470 -4.9624 -4.9624 -4.9107 -4.9107 -4.7604 -4.7604 -4.7143 -4.7143 -4.5748 -4.5748 -4.3737 -4.3737 -3.2036 -3.2036 -2.9267 -2.9267 -2.6285 -2.6285 -2.4937 -2.4937 -2.2442 -2.2442 -2.1914 -2.1914 -0.7470 -0.7470 -0.3379 -0.3379 -0.1157 -0.1157 -0.0492 -0.0492 4.5439 4.5439 4.6646 4.6646 4.9693 4.9693 5.3588 5.3588 7.2868 7.2868 7.7343 7.7343 k = 0.0000 0.5531-0.0230 ( 7673 PWs) bands (ev): -15.4059 -15.4059 -15.3353 -15.3353 -13.0172 -13.0172 -12.8545 -12.8545 -12.6400 -12.6400 -12.6185 -12.6185 -9.5198 -9.5198 -9.5049 -9.5049 -9.2813 -9.2813 -9.2313 -9.2313 -7.8329 -7.8329 -7.4586 -7.4586 -6.3640 -6.3640 -6.0506 -6.0506 -4.9589 -4.9589 -4.9104 -4.9104 -4.7581 -4.7581 -4.7065 -4.7065 -4.5729 -4.5729 -4.3754 -4.3754 -3.2045 -3.2045 -2.9519 -2.9519 -2.6225 -2.6225 -2.4898 -2.4898 -2.2415 -2.2415 -2.1899 -2.1899 -0.7341 -0.7341 -0.3495 -0.3495 -0.1125 -0.1125 -0.0578 -0.0578 4.5553 4.5553 4.6639 4.6639 4.9713 4.9713 5.3518 5.3518 7.3024 7.3024 7.7776 7.7776 k = 0.0000 0.5592-0.0069 ( 7683 PWs) bands (ev): -15.4021 -15.4021 -15.3402 -15.3402 -13.0124 -13.0124 -12.8554 -12.8554 -12.6388 -12.6388 -12.6216 -12.6216 -9.5185 -9.5185 -9.5059 -9.5059 -9.2822 -9.2822 -9.2312 -9.2312 -7.8325 -7.8325 -7.4637 -7.4637 -6.3600 -6.3600 -6.0547 -6.0547 -4.9550 -4.9550 -4.9101 -4.9101 -4.7557 -4.7557 -4.6984 -4.6984 -4.5710 -4.5710 -4.3775 -4.3775 -3.2047 -3.2047 -2.9770 -2.9770 -2.6174 -2.6174 -2.4860 -2.4860 -2.2385 -2.2385 -2.1887 -2.1887 -0.7200 -0.7200 -0.3625 -0.3625 -0.1092 -0.1092 -0.0667 -0.0667 4.5675 4.5675 4.6630 4.6630 4.9734 4.9734 5.3443 5.3443 7.3205 7.3205 7.7792 7.7792 k = 0.0000 0.5652 0.0093 ( 7673 PWs) bands (ev): -15.3981 -15.3981 -15.3454 -15.3454 -13.0071 -13.0071 -12.8564 -12.8564 -12.6375 -12.6375 -12.6249 -12.6249 -9.5172 -9.5172 -9.5069 -9.5069 -9.2831 -9.2831 -9.2310 -9.2310 -7.8319 -7.8319 -7.4692 -7.4692 -6.3556 -6.3556 -6.0592 -6.0592 -4.9509 -4.9509 -4.9097 -4.9097 -4.7530 -4.7530 -4.6902 -4.6902 -4.5693 -4.5693 -4.3798 -4.3798 -3.2038 -3.2038 -3.0020 -3.0020 -2.6129 -2.6129 -2.4823 -2.4823 -2.2354 -2.2354 -2.1876 -2.1876 -0.7049 -0.7049 -0.3769 -0.3769 -0.1056 -0.1056 -0.0760 -0.0760 4.5804 4.5804 4.6618 4.6618 4.9755 4.9755 5.3363 5.3363 7.3414 7.3414 7.7114 7.7114 k = 0.5000 0.4198 0.3786 ( 7690 PWs) bands (ev): -15.3300 -15.3300 -15.3300 -15.3300 -12.9502 -12.9502 -12.9502 -12.9502 -12.7107 -12.7107 -12.7107 -12.7107 -9.4809 -9.4809 -9.4802 -9.4802 -9.3344 -9.3344 -9.3337 -9.3337 -7.5618 -7.5618 -7.5618 -7.5618 -6.0853 -6.0853 -6.0853 -6.0853 -4.8886 -4.8886 -4.8884 -4.8884 -4.7050 -4.7050 -4.7039 -4.7039 -4.5800 -4.5800 -4.5787 -4.5787 -3.2466 -3.2466 -3.2465 -3.2465 -2.5869 -2.5869 -2.5859 -2.5859 -2.2846 -2.2846 -2.2834 -2.2834 -0.2540 -0.2540 -0.2539 -0.2539 0.0001 0.0001 0.0001 0.0001 4.5611 4.5611 4.5611 4.5611 5.3648 5.3648 5.3648 5.3648 7.4086 7.4086 7.4088 7.4088 k = 0.5000 0.4030 0.3786 ( 7682 PWs) bands (ev): -15.3312 -15.3312 -15.3312 -15.3312 -12.9479 -12.9479 -12.9479 -12.9479 -12.7103 -12.7103 -12.7103 -12.7103 -9.4753 -9.4753 -9.4745 -9.4745 -9.3384 -9.3384 -9.3377 -9.3377 -7.5657 -7.5657 -7.5657 -7.5657 -6.0885 -6.0885 -6.0885 -6.0885 -4.8862 -4.8862 -4.8861 -4.8861 -4.6995 -4.6995 -4.6985 -4.6985 -4.5891 -4.5891 -4.5879 -4.5879 -3.2402 -3.2402 -3.2401 -3.2401 -2.5845 -2.5845 -2.5836 -2.5836 -2.2828 -2.2828 -2.2818 -2.2818 -0.2624 -0.2624 -0.2623 -0.2623 -0.0012 -0.0012 -0.0012 -0.0012 4.5658 4.5658 4.5658 4.5658 5.3565 5.3565 5.3565 5.3565 7.4191 7.4191 7.4194 7.4194 k = 0.5000 0.3863 0.3786 ( 7678 PWs) bands (ev): -15.3327 -15.3327 -15.3327 -15.3327 -12.9454 -12.9454 -12.9453 -12.9453 -12.7097 -12.7097 -12.7097 -12.7097 -9.4701 -9.4701 -9.4694 -9.4694 -9.3418 -9.3418 -9.3411 -9.3411 -7.5701 -7.5701 -7.5700 -7.5700 -6.0926 -6.0926 -6.0925 -6.0925 -4.8844 -4.8844 -4.8844 -4.8844 -4.6956 -4.6956 -4.6948 -4.6948 -4.5954 -4.5954 -4.5945 -4.5945 -3.2331 -3.2331 -3.2329 -3.2329 -2.5826 -2.5826 -2.5819 -2.5819 -2.2801 -2.2801 -2.2793 -2.2793 -0.2718 -0.2718 -0.2717 -0.2717 -0.0030 -0.0030 -0.0030 -0.0030 4.5711 4.5711 4.5711 4.5711 5.3474 5.3474 5.3474 5.3474 7.4302 7.4302 7.4305 7.4305 k = 0.5000 0.3695 0.3786 ( 7674 PWs) bands (ev): -15.3343 -15.3343 -15.3343 -15.3343 -12.9426 -12.9426 -12.9426 -12.9426 -12.7088 -12.7088 -12.7088 -12.7088 -9.4657 -9.4657 -9.4651 -9.4651 -9.3443 -9.3443 -9.3436 -9.3436 -7.5748 -7.5748 -7.5748 -7.5748 -6.0975 -6.0975 -6.0975 -6.0975 -4.8833 -4.8833 -4.8833 -4.8833 -4.6945 -4.6945 -4.6941 -4.6941 -4.5976 -4.5976 -4.5971 -4.5971 -3.2251 -3.2251 -3.2249 -3.2249 -2.5814 -2.5814 -2.5808 -2.5808 -2.2766 -2.2766 -2.2760 -2.2760 -0.2825 -0.2825 -0.2824 -0.2824 -0.0050 -0.0050 -0.0050 -0.0050 4.5769 4.5769 4.5769 4.5769 5.3378 5.3378 5.3379 5.3379 7.4419 7.4419 7.4421 7.4421 k = 0.5000 0.3527 0.3786 ( 7686 PWs) bands (ev): -15.3361 -15.3361 -15.3361 -15.3361 -12.9397 -12.9397 -12.9397 -12.9397 -12.7075 -12.7075 -12.7075 -12.7075 -9.4625 -9.4625 -9.4619 -9.4619 -9.3454 -9.3454 -9.3449 -9.3449 -7.5799 -7.5799 -7.5799 -7.5799 -6.1032 -6.1032 -6.1032 -6.1032 -4.8828 -4.8828 -4.8828 -4.8828 -4.6972 -4.6972 -4.6971 -4.6971 -4.5950 -4.5950 -4.5948 -4.5948 -3.2163 -3.2163 -3.2161 -3.2161 -2.5809 -2.5809 -2.5805 -2.5805 -2.2723 -2.2723 -2.2718 -2.2718 -0.2942 -0.2942 -0.2941 -0.2941 -0.0071 -0.0071 -0.0071 -0.0071 4.5828 4.5828 4.5829 4.5829 5.3281 5.3281 5.3281 5.3281 7.4540 7.4540 7.4543 7.4543 k = 0.5000 0.3359 0.3786 ( 7688 PWs) bands (ev): -15.3381 -15.3381 -15.3381 -15.3381 -12.9368 -12.9368 -12.9368 -12.9368 -12.7058 -12.7058 -12.7058 -12.7058 -9.4607 -9.4607 -9.4603 -9.4603 -9.3450 -9.3450 -9.3445 -9.3445 -7.5852 -7.5852 -7.5852 -7.5852 -6.1096 -6.1096 -6.1096 -6.1096 -4.8831 -4.8831 -4.8830 -4.8830 -4.7035 -4.7035 -4.7032 -4.7032 -4.5880 -4.5880 -4.5879 -4.5879 -3.2067 -3.2067 -3.2065 -3.2065 -2.5812 -2.5812 -2.5809 -2.5809 -2.2672 -2.2672 -2.2668 -2.2668 -0.3070 -0.3070 -0.3069 -0.3069 -0.0093 -0.0093 -0.0093 -0.0093 4.5888 4.5888 4.5889 4.5889 5.3184 5.3184 5.3185 5.3185 7.4667 7.4667 7.4670 7.4670 k = 0.5000 0.3191 0.3786 ( 7688 PWs) bands (ev): -15.3403 -15.3403 -15.3403 -15.3403 -12.9338 -12.9338 -12.9338 -12.9338 -12.7038 -12.7038 -12.7038 -12.7038 -9.4607 -9.4607 -9.4604 -9.4604 -9.3428 -9.3428 -9.3424 -9.3424 -7.5907 -7.5907 -7.5907 -7.5907 -6.1167 -6.1167 -6.1167 -6.1167 -4.8840 -4.8840 -4.8839 -4.8839 -4.7121 -4.7121 -4.7116 -4.7116 -4.5778 -4.5778 -4.5774 -4.5774 -3.1964 -3.1964 -3.1963 -3.1963 -2.5823 -2.5823 -2.5821 -2.5821 -2.2614 -2.2614 -2.2612 -2.2612 -0.3209 -0.3209 -0.3208 -0.3208 -0.0114 -0.0114 -0.0114 -0.0114 4.5945 4.5945 4.5945 4.5945 5.3092 5.3092 5.3092 5.3092 7.4797 7.4797 7.4800 7.4800 k = 0.5000 0.3023 0.3786 ( 7688 PWs) bands (ev): -15.3425 -15.3425 -15.3425 -15.3425 -12.9309 -12.9309 -12.9309 -12.9309 -12.7013 -12.7013 -12.7013 -12.7013 -9.4624 -9.4624 -9.4622 -9.4622 -9.3388 -9.3388 -9.3386 -9.3386 -7.5963 -7.5963 -7.5963 -7.5963 -6.1245 -6.1245 -6.1244 -6.1244 -4.8857 -4.8857 -4.8856 -4.8856 -4.7218 -4.7218 -4.7212 -4.7212 -4.5651 -4.5651 -4.5646 -4.5646 -3.1855 -3.1855 -3.1853 -3.1853 -2.5841 -2.5841 -2.5840 -2.5840 -2.2550 -2.2550 -2.2549 -2.2549 -0.3357 -0.3357 -0.3356 -0.3356 -0.0134 -0.0134 -0.0134 -0.0134 4.5996 4.5996 4.5997 4.5997 5.3006 5.3006 5.3006 5.3006 7.4931 7.4931 7.4935 7.4935 k = 0.5000 0.2855 0.3786 ( 7688 PWs) bands (ev): -15.3448 -15.3448 -15.3448 -15.3448 -12.9282 -12.9282 -12.9282 -12.9282 -12.6985 -12.6985 -12.6985 -12.6985 -9.4656 -9.4656 -9.4655 -9.4655 -9.3332 -9.3332 -9.3331 -9.3331 -7.6019 -7.6019 -7.6019 -7.6019 -6.1327 -6.1327 -6.1326 -6.1326 -4.8883 -4.8883 -4.8881 -4.8881 -4.7317 -4.7317 -4.7310 -4.7310 -4.5510 -4.5510 -4.5503 -4.5503 -3.1740 -3.1740 -3.1737 -3.1737 -2.5868 -2.5868 -2.5867 -2.5867 -2.2482 -2.2482 -2.2481 -2.2481 -0.3514 -0.3514 -0.3513 -0.3513 -0.0151 -0.0151 -0.0151 -0.0151 4.6041 4.6041 4.6041 4.6041 5.2930 5.2930 5.2930 5.2930 7.5069 7.5069 7.5072 7.5072 k = 0.5000 0.2687 0.3786 ( 7686 PWs) bands (ev): -15.3472 -15.3472 -15.3472 -15.3472 -12.9256 -12.9256 -12.9256 -12.9256 -12.6952 -12.6952 -12.6952 -12.6952 -9.4702 -9.4702 -9.4702 -9.4702 -9.3263 -9.3263 -9.3263 -9.3263 -7.6075 -7.6075 -7.6075 -7.6075 -6.1413 -6.1413 -6.1413 -6.1413 -4.8917 -4.8917 -4.8915 -4.8915 -4.7413 -4.7413 -4.7406 -4.7406 -4.5360 -4.5360 -4.5352 -4.5352 -3.1618 -3.1618 -3.1616 -3.1616 -2.5903 -2.5903 -2.5901 -2.5901 -2.2410 -2.2410 -2.2409 -2.2409 -0.3677 -0.3677 -0.3676 -0.3676 -0.0165 -0.0165 -0.0165 -0.0165 4.6075 4.6075 4.6076 4.6076 5.2865 5.2865 5.2865 5.2865 7.5208 7.5208 7.5212 7.5212 k = 0.5000 0.2519 0.3786 ( 7692 PWs) bands (ev): -15.3497 -15.3497 -15.3497 -15.3497 -12.9232 -12.9232 -12.9232 -12.9232 -12.6916 -12.6916 -12.6916 -12.6916 -9.4758 -9.4758 -9.4757 -9.4757 -9.3186 -9.3186 -9.3185 -9.3185 -7.6130 -7.6130 -7.6130 -7.6130 -6.1502 -6.1502 -6.1502 -6.1502 -4.8960 -4.8960 -4.8957 -4.8957 -4.7502 -4.7502 -4.7495 -4.7495 -4.5205 -4.5205 -4.5197 -4.5197 -3.1492 -3.1492 -3.1490 -3.1490 -2.5944 -2.5944 -2.5942 -2.5942 -2.2336 -2.2336 -2.2334 -2.2334 -0.3846 -0.3846 -0.3845 -0.3845 -0.0176 -0.0176 -0.0176 -0.0176 4.6099 4.6099 4.6100 4.6100 5.2813 5.2813 5.2814 5.2814 7.5348 7.5348 7.5352 7.5352 k = 0.5000 0.2351 0.3786 ( 7696 PWs) bands (ev): -15.3521 -15.3521 -15.3521 -15.3521 -12.9211 -12.9211 -12.9211 -12.9211 -12.6877 -12.6877 -12.6877 -12.6877 -9.4820 -9.4820 -9.4819 -9.4819 -9.3102 -9.3102 -9.3101 -9.3101 -7.6184 -7.6184 -7.6184 -7.6184 -6.1593 -6.1593 -6.1593 -6.1593 -4.9011 -4.9011 -4.9007 -4.9007 -4.7582 -4.7582 -4.7575 -4.7575 -4.5049 -4.5049 -4.5040 -4.5040 -3.1362 -3.1362 -3.1360 -3.1360 -2.5992 -2.5992 -2.5989 -2.5989 -2.2261 -2.2261 -2.2257 -2.2257 -0.4018 -0.4018 -0.4017 -0.4017 -0.0184 -0.0184 -0.0184 -0.0184 4.6111 4.6111 4.6112 4.6112 5.2776 5.2776 5.2776 5.2776 7.5489 7.5489 7.5493 7.5493 k = 0.5000 0.2183 0.3786 ( 7688 PWs) bands (ev): -15.3545 -15.3545 -15.3545 -15.3545 -12.9192 -12.9192 -12.9192 -12.9192 -12.6836 -12.6836 -12.6836 -12.6836 -9.4887 -9.4887 -9.4885 -9.4885 -9.3015 -9.3015 -9.3013 -9.3013 -7.6236 -7.6236 -7.6236 -7.6236 -6.1685 -6.1685 -6.1685 -6.1685 -4.9070 -4.9070 -4.9065 -4.9065 -4.7650 -4.7650 -4.7644 -4.7644 -4.4894 -4.4894 -4.4885 -4.4885 -3.1229 -3.1229 -3.1226 -3.1226 -2.6046 -2.6046 -2.6041 -2.6041 -2.2186 -2.2186 -2.2181 -2.2181 -0.4192 -0.4192 -0.4190 -0.4190 -0.0190 -0.0190 -0.0189 -0.0189 4.6111 4.6111 4.6112 4.6112 5.2753 5.2753 5.2753 5.2753 7.5630 7.5630 7.5633 7.5633 k = 0.5000 0.2015 0.3786 ( 7692 PWs) bands (ev): -15.3568 -15.3568 -15.3568 -15.3568 -12.9176 -12.9176 -12.9176 -12.9176 -12.6793 -12.6793 -12.6793 -12.6793 -9.4956 -9.4956 -9.4954 -9.4954 -9.2926 -9.2926 -9.2923 -9.2923 -7.6286 -7.6286 -7.6286 -7.6286 -6.1777 -6.1777 -6.1777 -6.1777 -4.9135 -4.9135 -4.9128 -4.9128 -4.7708 -4.7708 -4.7702 -4.7702 -4.4743 -4.4743 -4.4734 -4.4734 -3.1094 -3.1094 -3.1091 -3.1091 -2.6104 -2.6104 -2.6099 -2.6099 -2.2112 -2.2112 -2.2106 -2.2106 -0.4364 -0.4364 -0.4363 -0.4363 -0.0192 -0.0192 -0.0192 -0.0192 4.6099 4.6099 4.6101 4.6101 5.2745 5.2745 5.2745 5.2745 7.5768 7.5768 7.5772 7.5772 k = 0.5000 0.1847 0.3786 ( 7686 PWs) bands (ev): -15.3591 -15.3591 -15.3591 -15.3591 -12.9162 -12.9162 -12.9162 -12.9162 -12.6748 -12.6748 -12.6748 -12.6748 -9.5026 -9.5026 -9.5023 -9.5023 -9.2837 -9.2837 -9.2834 -9.2834 -7.6333 -7.6333 -7.6332 -7.6332 -6.1867 -6.1867 -6.1867 -6.1867 -4.9203 -4.9203 -4.9196 -4.9196 -4.7755 -4.7755 -4.7750 -4.7750 -4.4598 -4.4598 -4.4588 -4.4588 -3.0958 -3.0958 -3.0955 -3.0955 -2.6166 -2.6166 -2.6161 -2.6161 -2.2040 -2.2040 -2.2034 -2.2034 -0.4534 -0.4534 -0.4532 -0.4532 -0.0192 -0.0192 -0.0191 -0.0191 4.6077 4.6077 4.6079 4.6079 5.2749 5.2749 5.2749 5.2749 7.5904 7.5904 7.5908 7.5908 k = 0.5000 0.1679 0.3786 ( 7684 PWs) bands (ev): -15.3613 -15.3613 -15.3613 -15.3613 -12.9150 -12.9150 -12.9150 -12.9150 -12.6704 -12.6704 -12.6704 -12.6704 -9.5094 -9.5094 -9.5091 -9.5091 -9.2751 -9.2751 -9.2748 -9.2748 -7.6377 -7.6377 -7.6376 -7.6376 -6.1954 -6.1954 -6.1954 -6.1954 -4.9274 -4.9274 -4.9267 -4.9267 -4.7793 -4.7793 -4.7788 -4.7788 -4.4460 -4.4460 -4.4450 -4.4450 -3.0823 -3.0823 -3.0820 -3.0820 -2.6231 -2.6231 -2.6225 -2.6225 -2.1972 -2.1972 -2.1965 -2.1965 -0.4698 -0.4698 -0.4696 -0.4696 -0.0189 -0.0189 -0.0189 -0.0189 4.6047 4.6047 4.6049 4.6049 5.2764 5.2764 5.2764 5.2764 7.6037 7.6037 7.6041 7.6041 k = 0.5000 0.1511 0.3786 ( 7682 PWs) bands (ev): -15.3633 -15.3633 -15.3633 -15.3633 -12.9141 -12.9141 -12.9141 -12.9141 -12.6660 -12.6660 -12.6660 -12.6660 -9.5159 -9.5159 -9.5156 -9.5156 -9.2668 -9.2668 -9.2665 -9.2665 -7.6418 -7.6418 -7.6417 -7.6417 -6.2037 -6.2037 -6.2037 -6.2037 -4.9345 -4.9345 -4.9337 -4.9337 -4.7822 -4.7822 -4.7819 -4.7819 -4.4330 -4.4330 -4.4321 -4.4321 -3.0690 -3.0690 -3.0686 -3.0686 -2.6298 -2.6298 -2.6292 -2.6292 -2.1908 -2.1908 -2.1900 -2.1900 -0.4854 -0.4854 -0.4853 -0.4853 -0.0185 -0.0185 -0.0185 -0.0185 4.6009 4.6009 4.6011 4.6011 5.2788 5.2788 5.2788 5.2788 7.6166 7.6166 7.6170 7.6170 k = 0.5000 0.1343 0.3786 ( 7670 PWs) bands (ev): -15.3651 -15.3651 -15.3651 -15.3651 -12.9133 -12.9133 -12.9133 -12.9133 -12.6618 -12.6618 -12.6618 -12.6618 -9.5221 -9.5221 -9.5217 -9.5217 -9.2591 -9.2591 -9.2587 -9.2587 -7.6455 -7.6455 -7.6454 -7.6454 -6.2115 -6.2115 -6.2115 -6.2115 -4.9414 -4.9414 -4.9405 -4.9405 -4.7846 -4.7846 -4.7843 -4.7843 -4.4211 -4.4211 -4.4201 -4.4201 -3.0561 -3.0561 -3.0557 -3.0557 -2.6366 -2.6366 -2.6359 -2.6359 -2.1848 -2.1848 -2.1840 -2.1840 -0.5001 -0.5001 -0.4999 -0.4999 -0.0180 -0.0180 -0.0180 -0.0180 4.5967 4.5967 4.5969 4.5969 5.2819 5.2819 5.2819 5.2819 7.6289 7.6289 7.6293 7.6293 k = 0.5000 0.1176 0.3786 ( 7672 PWs) bands (ev): -15.3669 -15.3669 -15.3669 -15.3669 -12.9127 -12.9127 -12.9127 -12.9127 -12.6579 -12.6579 -12.6579 -12.6579 -9.5277 -9.5277 -9.5274 -9.5274 -9.2520 -9.2520 -9.2516 -9.2516 -7.6488 -7.6488 -7.6487 -7.6487 -6.2187 -6.2187 -6.2187 -6.2187 -4.9478 -4.9478 -4.9468 -4.9468 -4.7864 -4.7864 -4.7861 -4.7861 -4.4103 -4.4103 -4.4093 -4.4093 -3.0438 -3.0438 -3.0435 -3.0435 -2.6432 -2.6432 -2.6425 -2.6425 -2.1794 -2.1794 -2.1785 -2.1785 -0.5136 -0.5136 -0.5134 -0.5134 -0.0174 -0.0174 -0.0174 -0.0174 4.5923 4.5923 4.5925 4.5925 5.2854 5.2854 5.2854 5.2854 7.6407 7.6407 7.6411 7.6411 k = 0.5000 0.1008 0.3786 ( 7668 PWs) bands (ev): -15.3684 -15.3684 -15.3684 -15.3684 -12.9123 -12.9123 -12.9122 -12.9122 -12.6543 -12.6543 -12.6543 -12.6543 -9.5328 -9.5328 -9.5325 -9.5325 -9.2456 -9.2456 -9.2452 -9.2452 -7.6517 -7.6517 -7.6516 -7.6516 -6.2252 -6.2252 -6.2251 -6.2251 -4.9537 -4.9537 -4.9527 -4.9527 -4.7877 -4.7877 -4.7875 -4.7875 -4.4007 -4.4007 -4.3998 -4.3998 -3.0324 -3.0324 -3.0320 -3.0320 -2.6496 -2.6496 -2.6489 -2.6489 -2.1746 -2.1746 -2.1737 -2.1737 -0.5257 -0.5257 -0.5255 -0.5255 -0.0168 -0.0168 -0.0168 -0.0168 4.5880 4.5880 4.5882 4.5882 5.2889 5.2889 5.2890 5.2890 7.6517 7.6517 7.6521 7.6521 k = 0.5000 0.0840 0.3786 ( 7676 PWs) bands (ev): -15.3697 -15.3697 -15.3697 -15.3697 -12.9119 -12.9119 -12.9119 -12.9119 -12.6511 -12.6511 -12.6511 -12.6511 -9.5373 -9.5373 -9.5369 -9.5369 -9.2401 -9.2401 -9.2397 -9.2397 -7.6542 -7.6542 -7.6541 -7.6541 -6.2308 -6.2308 -6.2307 -6.2307 -4.9588 -4.9588 -4.9578 -4.9578 -4.7887 -4.7887 -4.7885 -4.7885 -4.3925 -4.3925 -4.3915 -4.3915 -3.0221 -3.0221 -3.0217 -3.0217 -2.6556 -2.6556 -2.6548 -2.6548 -2.1705 -2.1705 -2.1696 -2.1696 -0.5363 -0.5363 -0.5361 -0.5361 -0.0162 -0.0162 -0.0162 -0.0162 4.5839 4.5839 4.5841 4.5841 5.2924 5.2924 5.2925 5.2925 7.6618 7.6618 7.6623 7.6623 k = 0.5000 0.0672 0.3786 ( 7672 PWs) bands (ev): -15.3708 -15.3708 -15.3708 -15.3708 -12.9117 -12.9117 -12.9117 -12.9117 -12.6484 -12.6484 -12.6484 -12.6484 -9.5410 -9.5410 -9.5407 -9.5407 -9.2355 -9.2355 -9.2351 -9.2351 -7.6562 -7.6562 -7.6562 -7.6562 -6.2355 -6.2355 -6.2355 -6.2355 -4.9632 -4.9632 -4.9622 -4.9622 -4.7894 -4.7894 -4.7892 -4.7892 -4.3857 -4.3857 -4.3847 -4.3847 -3.0131 -3.0131 -3.0127 -3.0127 -2.6609 -2.6609 -2.6601 -2.6601 -2.1671 -2.1671 -2.1661 -2.1661 -0.5451 -0.5451 -0.5449 -0.5449 -0.0157 -0.0157 -0.0157 -0.0157 4.5802 4.5802 4.5805 4.5805 5.2956 5.2956 5.2956 5.2956 7.6709 7.6709 7.6714 7.6714 k = 0.5000 0.0504 0.3786 ( 7672 PWs) bands (ev): -15.3716 -15.3716 -15.3716 -15.3716 -12.9115 -12.9115 -12.9115 -12.9115 -12.6462 -12.6462 -12.6462 -12.6462 -9.5440 -9.5440 -9.5436 -9.5436 -9.2318 -9.2318 -9.2314 -9.2314 -7.6578 -7.6578 -7.6578 -7.6578 -6.2393 -6.2393 -6.2392 -6.2392 -4.9667 -4.9667 -4.9656 -4.9656 -4.7900 -4.7900 -4.7898 -4.7898 -4.3803 -4.3803 -4.3793 -4.3793 -3.0058 -3.0058 -3.0054 -3.0054 -2.6653 -2.6653 -2.6645 -2.6645 -2.1644 -2.1644 -2.1634 -2.1634 -0.5521 -0.5521 -0.5520 -0.5520 -0.0152 -0.0152 -0.0152 -0.0152 4.5772 4.5772 4.5774 4.5774 5.2983 5.2983 5.2983 5.2983 7.6786 7.6786 7.6791 7.6791 k = 0.5000 0.0336 0.3786 ( 7668 PWs) bands (ev): -15.3723 -15.3723 -15.3723 -15.3723 -12.9114 -12.9114 -12.9114 -12.9114 -12.6447 -12.6447 -12.6447 -12.6447 -9.5461 -9.5461 -9.5458 -9.5458 -9.2291 -9.2291 -9.2287 -9.2287 -7.6590 -7.6590 -7.6589 -7.6589 -6.2420 -6.2420 -6.2419 -6.2419 -4.9692 -4.9692 -4.9681 -4.9681 -4.7903 -4.7903 -4.7901 -4.7901 -4.3764 -4.3764 -4.3754 -4.3754 -3.0003 -3.0003 -3.0000 -3.0000 -2.6686 -2.6686 -2.6678 -2.6678 -2.1625 -2.1625 -2.1615 -2.1615 -0.5572 -0.5572 -0.5571 -0.5571 -0.0149 -0.0149 -0.0149 -0.0149 4.5750 4.5750 4.5752 4.5752 5.3003 5.3003 5.3003 5.3003 7.6845 7.6845 7.6851 7.6851 k = 0.5000 0.0168 0.3786 ( 7678 PWs) bands (ev): -15.3726 -15.3726 -15.3726 -15.3726 -12.9113 -12.9113 -12.9113 -12.9113 -12.6437 -12.6437 -12.6437 -12.6437 -9.5474 -9.5474 -9.5471 -9.5471 -9.2275 -9.2275 -9.2271 -9.2271 -7.6597 -7.6597 -7.6596 -7.6596 -6.2436 -6.2436 -6.2436 -6.2436 -4.9708 -4.9708 -4.9697 -4.9697 -4.7905 -4.7905 -4.7903 -4.7903 -4.3741 -4.3741 -4.3731 -4.3731 -2.9970 -2.9970 -2.9966 -2.9966 -2.6707 -2.6707 -2.6699 -2.6699 -2.1613 -2.1613 -2.1603 -2.1603 -0.5603 -0.5603 -0.5601 -0.5601 -0.0147 -0.0147 -0.0146 -0.0146 4.5736 4.5736 4.5738 4.5738 5.3015 5.3015 5.3016 5.3016 7.6883 7.6883 7.6889 7.6889 k = 0.5000-0.0000 0.3786 ( 7676 PWs) bands (ev): -15.3728 -15.3728 -15.3728 -15.3728 -12.9113 -12.9113 -12.9113 -12.9113 -12.6434 -12.6434 -12.6434 -12.6434 -9.5479 -9.5479 -9.5475 -9.5475 -9.2270 -9.2270 -9.2266 -9.2266 -7.6599 -7.6599 -7.6598 -7.6598 -6.2442 -6.2442 -6.2441 -6.2441 -4.9713 -4.9713 -4.9702 -4.9702 -4.7905 -4.7905 -4.7904 -4.7904 -4.3733 -4.3733 -4.3723 -4.3723 -2.9959 -2.9959 -2.9955 -2.9955 -2.6714 -2.6714 -2.6706 -2.6706 -2.1609 -2.1609 -2.1599 -2.1599 -0.5613 -0.5613 -0.5612 -0.5612 -0.0146 -0.0146 -0.0146 -0.0146 4.5731 4.5731 4.5733 4.5733 5.3020 5.3020 5.3020 5.3020 7.6896 7.6896 7.6902 7.6902 k = 0.5000-0.0000 0.3786 ( 7676 PWs) bands (ev): -15.3728 -15.3728 -15.3728 -15.3728 -12.9113 -12.9113 -12.9113 -12.9113 -12.6434 -12.6434 -12.6434 -12.6434 -9.5479 -9.5479 -9.5475 -9.5475 -9.2270 -9.2270 -9.2266 -9.2266 -7.6599 -7.6599 -7.6598 -7.6598 -6.2442 -6.2442 -6.2441 -6.2441 -4.9713 -4.9713 -4.9702 -4.9702 -4.7905 -4.7905 -4.7904 -4.7904 -4.3733 -4.3733 -4.3723 -4.3723 -2.9959 -2.9959 -2.9955 -2.9955 -2.6714 -2.6714 -2.6706 -2.6706 -2.1609 -2.1609 -2.1599 -2.1599 -0.5613 -0.5613 -0.5612 -0.5612 -0.0146 -0.0146 -0.0146 -0.0146 4.5731 4.5731 4.5733 4.5733 5.3020 5.3020 5.3020 5.3020 7.6896 7.6896 7.6902 7.6902 k = 0.5000-0.0000 0.3614 ( 7672 PWs) bands (ev): -15.3728 -15.3728 -15.3728 -15.3728 -12.9112 -12.9112 -12.9111 -12.9111 -12.6435 -12.6435 -12.6435 -12.6435 -9.5478 -9.5478 -9.5474 -9.5474 -9.2271 -9.2271 -9.2267 -9.2267 -7.6600 -7.6600 -7.6600 -7.6600 -6.2441 -6.2441 -6.2441 -6.2441 -4.9707 -4.9707 -4.9696 -4.9696 -4.7903 -4.7903 -4.7902 -4.7902 -4.3737 -4.3737 -4.3727 -4.3727 -2.9968 -2.9968 -2.9964 -2.9964 -2.6708 -2.6708 -2.6700 -2.6700 -2.1609 -2.1609 -2.1599 -2.1599 -0.5613 -0.5613 -0.5612 -0.5612 -0.0145 -0.0145 -0.0144 -0.0144 4.5736 4.5736 4.5738 4.5738 5.3015 5.3015 5.3016 5.3016 7.6826 7.6826 7.6831 7.6831 k = 0.5000-0.0000 0.3442 ( 7666 PWs) bands (ev): -15.3728 -15.3728 -15.3728 -15.3728 -12.9107 -12.9107 -12.9107 -12.9107 -12.6438 -12.6438 -12.6438 -12.6438 -9.5476 -9.5476 -9.5472 -9.5472 -9.2274 -9.2274 -9.2270 -9.2270 -7.6605 -7.6605 -7.6604 -7.6604 -6.2440 -6.2440 -6.2440 -6.2440 -4.9691 -4.9691 -4.9680 -4.9680 -4.7897 -4.7897 -4.7895 -4.7895 -4.3750 -4.3750 -4.3740 -4.3740 -2.9994 -2.9994 -2.9990 -2.9990 -2.6690 -2.6690 -2.6683 -2.6683 -2.1607 -2.1607 -2.1597 -2.1597 -0.5613 -0.5613 -0.5612 -0.5612 -0.0141 -0.0141 -0.0141 -0.0141 4.5750 4.5750 4.5753 4.5753 5.3003 5.3003 5.3003 5.3003 7.6640 7.6640 7.6645 7.6645 k = 0.5000-0.0000 0.3269 ( 7668 PWs) bands (ev): -15.3729 -15.3729 -15.3729 -15.3729 -12.9100 -12.9100 -12.9100 -12.9100 -12.6444 -12.6444 -12.6444 -12.6444 -9.5472 -9.5472 -9.5468 -9.5468 -9.2280 -9.2280 -9.2276 -9.2276 -7.6612 -7.6612 -7.6611 -7.6611 -6.2439 -6.2439 -6.2438 -6.2438 -4.9664 -4.9664 -4.9653 -4.9653 -4.7886 -4.7886 -4.7884 -4.7884 -4.3771 -4.3771 -4.3761 -4.3761 -3.0037 -3.0037 -3.0034 -3.0034 -2.6662 -2.6662 -2.6655 -2.6655 -2.1605 -2.1605 -2.1596 -2.1596 -0.5613 -0.5613 -0.5612 -0.5612 -0.0135 -0.0135 -0.0135 -0.0135 4.5774 4.5774 4.5777 4.5777 5.2983 5.2983 5.2983 5.2983 7.6387 7.6387 7.6391 7.6391 k = 0.5000-0.0000 0.3097 ( 7668 PWs) bands (ev): -15.3729 -15.3729 -15.3729 -15.3729 -12.9091 -12.9091 -12.9091 -12.9091 -12.6452 -12.6452 -12.6452 -12.6452 -9.5466 -9.5466 -9.5463 -9.5463 -9.2288 -9.2288 -9.2284 -9.2284 -7.6621 -7.6621 -7.6621 -7.6621 -6.2437 -6.2437 -6.2437 -6.2437 -4.9626 -4.9626 -4.9616 -4.9616 -4.7871 -4.7871 -4.7869 -4.7869 -4.3800 -4.3800 -4.3790 -4.3790 -3.0096 -3.0096 -3.0092 -3.0092 -2.6624 -2.6624 -2.6617 -2.6617 -2.1602 -2.1602 -2.1593 -2.1593 -0.5613 -0.5613 -0.5612 -0.5612 -0.0127 -0.0127 -0.0127 -0.0127 4.5807 4.5807 4.5810 4.5810 5.2955 5.2955 5.2956 5.2956 7.6102 7.6102 7.6107 7.6107 k = 0.5000-0.0000 0.2925 ( 7670 PWs) bands (ev): -15.3730 -15.3730 -15.3730 -15.3730 -12.9079 -12.9079 -12.9079 -12.9079 -12.6462 -12.6462 -12.6462 -12.6462 -9.5459 -9.5459 -9.5456 -9.5456 -9.2298 -9.2298 -9.2294 -9.2294 -7.6633 -7.6633 -7.6633 -7.6633 -6.2435 -6.2435 -6.2434 -6.2434 -4.9580 -4.9580 -4.9569 -4.9569 -4.7851 -4.7851 -4.7849 -4.7849 -4.3838 -4.3838 -4.3828 -4.3828 -3.0167 -3.0167 -3.0163 -3.0163 -2.6579 -2.6579 -2.6572 -2.6572 -2.1599 -2.1599 -2.1589 -2.1589 -0.5614 -0.5614 -0.5612 -0.5612 -0.0116 -0.0116 -0.0116 -0.0116 4.5849 4.5849 4.5851 4.5851 5.2921 5.2921 5.2921 5.2921 7.5806 7.5806 7.5810 7.5810 k = 0.5000-0.0000 0.2753 ( 7676 PWs) bands (ev): -15.3731 -15.3731 -15.3731 -15.3731 -12.9064 -12.9064 -12.9064 -12.9064 -12.6474 -12.6474 -12.6474 -12.6474 -9.5451 -9.5451 -9.5448 -9.5448 -9.2309 -9.2309 -9.2306 -9.2306 -7.6647 -7.6647 -7.6647 -7.6647 -6.2432 -6.2432 -6.2432 -6.2432 -4.9525 -4.9525 -4.9515 -4.9515 -4.7826 -4.7826 -4.7824 -4.7824 -4.3883 -4.3883 -4.3873 -4.3873 -3.0249 -3.0249 -3.0246 -3.0246 -2.6527 -2.6527 -2.6520 -2.6520 -2.1595 -2.1595 -2.1586 -2.1586 -0.5614 -0.5614 -0.5612 -0.5612 -0.0104 -0.0104 -0.0104 -0.0104 4.5897 4.5897 4.5900 4.5900 5.2881 5.2881 5.2881 5.2881 7.5508 7.5508 7.5512 7.5512 k = 0.5000-0.0000 0.2581 ( 7676 PWs) bands (ev): -15.3733 -15.3733 -15.3733 -15.3733 -12.9048 -12.9048 -12.9048 -12.9048 -12.6487 -12.6487 -12.6487 -12.6487 -9.5442 -9.5442 -9.5439 -9.5439 -9.2323 -9.2323 -9.2319 -9.2319 -7.6663 -7.6663 -7.6663 -7.6663 -6.2429 -6.2429 -6.2429 -6.2429 -4.9462 -4.9462 -4.9453 -4.9453 -4.7797 -4.7797 -4.7794 -4.7794 -4.3935 -4.3935 -4.3925 -4.3925 -3.0340 -3.0340 -3.0337 -3.0337 -2.6470 -2.6470 -2.6463 -2.6463 -2.1590 -2.1590 -2.1581 -2.1581 -0.5615 -0.5615 -0.5613 -0.5613 -0.0090 -0.0090 -0.0090 -0.0090 4.5953 4.5953 4.5955 4.5955 5.2836 5.2836 5.2836 5.2836 7.5216 7.5216 7.5220 7.5220 k = 0.5000-0.0000 0.2409 ( 7676 PWs) bands (ev): -15.3734 -15.3734 -15.3734 -15.3734 -12.9030 -12.9030 -12.9030 -12.9030 -12.6502 -12.6502 -12.6502 -12.6502 -9.5432 -9.5432 -9.5429 -9.5429 -9.2337 -9.2337 -9.2334 -9.2334 -7.6681 -7.6681 -7.6680 -7.6680 -6.2426 -6.2426 -6.2426 -6.2426 -4.9394 -4.9394 -4.9385 -4.9385 -4.7762 -4.7762 -4.7759 -4.7759 -4.3995 -4.3995 -4.3985 -4.3985 -3.0438 -3.0438 -3.0434 -3.0434 -2.6411 -2.6411 -2.6404 -2.6404 -2.1585 -2.1585 -2.1577 -2.1577 -0.5615 -0.5615 -0.5614 -0.5614 -0.0074 -0.0074 -0.0074 -0.0074 4.6013 4.6013 4.6015 4.6015 5.2786 5.2786 5.2786 5.2786 7.4934 7.4934 7.4937 7.4937 k = 0.5000-0.0000 0.2237 ( 7688 PWs) bands (ev): -15.3735 -15.3735 -15.3735 -15.3735 -12.9010 -12.9010 -12.9010 -12.9010 -12.6519 -12.6519 -12.6519 -12.6519 -9.5421 -9.5421 -9.5418 -9.5418 -9.2353 -9.2353 -9.2350 -9.2350 -7.6699 -7.6699 -7.6699 -7.6699 -6.2423 -6.2423 -6.2423 -6.2423 -4.9322 -4.9322 -4.9313 -4.9313 -4.7722 -4.7722 -4.7719 -4.7719 -4.4061 -4.4061 -4.4052 -4.4052 -3.0539 -3.0539 -3.0536 -3.0536 -2.6350 -2.6350 -2.6343 -2.6343 -2.1580 -2.1580 -2.1572 -2.1572 -0.5617 -0.5617 -0.5615 -0.5615 -0.0057 -0.0057 -0.0056 -0.0056 4.6078 4.6078 4.6080 4.6080 5.2734 5.2734 5.2734 5.2734 7.4664 7.4664 7.4668 7.4668 k = 0.5000-0.0000 0.2065 ( 7688 PWs) bands (ev): -15.3737 -15.3737 -15.3737 -15.3737 -12.8989 -12.8989 -12.8989 -12.8989 -12.6536 -12.6536 -12.6536 -12.6536 -9.5410 -9.5410 -9.5407 -9.5407 -9.2369 -9.2369 -9.2366 -9.2366 -7.6719 -7.6719 -7.6718 -7.6718 -6.2419 -6.2419 -6.2419 -6.2419 -4.9247 -4.9247 -4.9239 -4.9239 -4.7676 -4.7676 -4.7673 -4.7673 -4.4134 -4.4134 -4.4124 -4.4124 -3.0642 -3.0642 -3.0639 -3.0639 -2.6288 -2.6288 -2.6283 -2.6283 -2.1575 -2.1575 -2.1567 -2.1567 -0.5618 -0.5618 -0.5617 -0.5617 -0.0038 -0.0038 -0.0038 -0.0038 4.6146 4.6146 4.6148 4.6148 5.2680 5.2680 5.2680 5.2680 7.4409 7.4409 7.4413 7.4413 k = 0.5000-0.0000 0.1893 ( 7688 PWs) bands (ev): -15.3738 -15.3738 -15.3738 -15.3738 -12.8967 -12.8967 -12.8967 -12.8967 -12.6554 -12.6554 -12.6554 -12.6554 -9.5398 -9.5398 -9.5395 -9.5395 -9.2386 -9.2386 -9.2383 -9.2383 -7.6738 -7.6738 -7.6738 -7.6738 -6.2416 -6.2416 -6.2415 -6.2415 -4.9171 -4.9171 -4.9164 -4.9164 -4.7625 -4.7625 -4.7621 -4.7621 -4.4211 -4.4211 -4.4202 -4.4202 -3.0745 -3.0745 -3.0742 -3.0742 -2.6228 -2.6228 -2.6223 -2.6223 -2.1569 -2.1569 -2.1562 -2.1562 -0.5620 -0.5620 -0.5619 -0.5619 -0.0019 -0.0019 -0.0019 -0.0019 4.6215 4.6215 4.6217 4.6217 5.2625 5.2625 5.2625 5.2625 7.4171 7.4171 7.4174 7.4174 k = 0.5000-0.0000 0.1721 ( 7692 PWs) bands (ev): -15.3740 -15.3740 -15.3740 -15.3740 -12.8945 -12.8945 -12.8945 -12.8945 -12.6572 -12.6572 -12.6572 -12.6572 -9.5386 -9.5386 -9.5383 -9.5383 -9.2404 -9.2404 -9.2401 -9.2401 -7.6758 -7.6758 -7.6758 -7.6758 -6.2412 -6.2412 -6.2412 -6.2412 -4.9096 -4.9096 -4.9090 -4.9090 -4.7568 -4.7568 -4.7563 -4.7563 -4.4293 -4.4293 -4.4284 -4.4284 -3.0847 -3.0847 -3.0844 -3.0844 -2.6170 -2.6170 -2.6165 -2.6165 -2.1564 -2.1564 -2.1557 -2.1557 -0.5623 -0.5623 -0.5622 -0.5622 0.0000 0.0000 0.0000 0.0000 4.6285 4.6285 4.6286 4.6286 5.2571 5.2571 5.2571 5.2571 7.3949 7.3949 7.3952 7.3952 k = 0.5000-0.0000 0.1549 ( 7696 PWs) bands (ev): -15.3741 -15.3741 -15.3741 -15.3741 -12.8924 -12.8924 -12.8923 -12.8923 -12.6591 -12.6591 -12.6591 -12.6591 -9.5374 -9.5374 -9.5371 -9.5371 -9.2420 -9.2420 -9.2418 -9.2418 -7.6777 -7.6777 -7.6777 -7.6777 -6.2409 -6.2409 -6.2409 -6.2409 -4.9024 -4.9024 -4.9018 -4.9018 -4.7506 -4.7506 -4.7501 -4.7501 -4.4379 -4.4379 -4.4370 -4.4370 -3.0944 -3.0944 -3.0941 -3.0941 -2.6115 -2.6115 -2.6110 -2.6110 -2.1559 -2.1559 -2.1552 -2.1552 -0.5626 -0.5626 -0.5625 -0.5625 0.0019 0.0019 0.0019 0.0019 4.6353 4.6353 4.6354 4.6354 5.2519 5.2519 5.2519 5.2519 7.3746 7.3746 7.3749 7.3749 k = 0.5000-0.0000 0.1377 ( 7696 PWs) bands (ev): -15.3743 -15.3743 -15.3743 -15.3743 -12.8902 -12.8902 -12.8902 -12.8902 -12.6608 -12.6608 -12.6608 -12.6608 -9.5362 -9.5362 -9.5360 -9.5360 -9.2437 -9.2437 -9.2434 -9.2434 -7.6796 -7.6796 -7.6795 -7.6795 -6.2406 -6.2406 -6.2405 -6.2405 -4.8956 -4.8956 -4.8952 -4.8952 -4.7439 -4.7439 -4.7433 -4.7433 -4.4466 -4.4466 -4.4457 -4.4457 -3.1036 -3.1036 -3.1033 -3.1033 -2.6063 -2.6063 -2.6059 -2.6059 -2.1554 -2.1554 -2.1548 -2.1548 -0.5628 -0.5628 -0.5627 -0.5627 0.0038 0.0038 0.0038 0.0038 4.6418 4.6418 4.6419 4.6419 5.2469 5.2469 5.2469 5.2469 7.3562 7.3562 7.3564 7.3564 k = 0.5000-0.0000 0.1205 ( 7694 PWs) bands (ev): -15.3744 -15.3744 -15.3744 -15.3744 -12.8882 -12.8882 -12.8882 -12.8882 -12.6626 -12.6626 -12.6625 -12.6625 -9.5351 -9.5351 -9.5349 -9.5349 -9.2452 -9.2452 -9.2450 -9.2450 -7.6813 -7.6813 -7.6812 -7.6812 -6.2403 -6.2403 -6.2402 -6.2402 -4.8895 -4.8895 -4.8890 -4.8890 -4.7368 -4.7368 -4.7363 -4.7363 -4.4553 -4.4553 -4.4545 -4.4545 -3.1120 -3.1120 -3.1118 -3.1118 -2.6016 -2.6016 -2.6013 -2.6013 -2.1549 -2.1549 -2.1544 -2.1544 -0.5631 -0.5631 -0.5631 -0.5631 0.0056 0.0056 0.0056 0.0056 4.6479 4.6479 4.6480 4.6480 5.2423 5.2423 5.2423 5.2423 7.3398 7.3398 7.3400 7.3400 k = 0.5000-0.0000 0.1032 ( 7694 PWs) bands (ev): -15.3745 -15.3745 -15.3745 -15.3745 -12.8863 -12.8863 -12.8863 -12.8863 -12.6641 -12.6641 -12.6641 -12.6641 -9.5341 -9.5341 -9.5339 -9.5339 -9.2466 -9.2466 -9.2464 -9.2464 -7.6828 -7.6828 -7.6828 -7.6828 -6.2400 -6.2400 -6.2400 -6.2400 -4.8840 -4.8840 -4.8836 -4.8836 -4.7297 -4.7297 -4.7291 -4.7291 -4.4639 -4.4639 -4.4631 -4.4631 -3.1197 -3.1197 -3.1195 -3.1195 -2.5974 -2.5974 -2.5971 -2.5971 -2.1545 -2.1545 -2.1540 -2.1540 -0.5634 -0.5634 -0.5634 -0.5634 0.0072 0.0072 0.0072 0.0072 4.6535 4.6535 4.6536 4.6536 5.2382 5.2382 5.2382 5.2382 7.3254 7.3254 7.3256 7.3256 k = 0.5000-0.0000 0.0860 ( 7692 PWs) bands (ev): -15.3746 -15.3746 -15.3746 -15.3746 -12.8846 -12.8846 -12.8846 -12.8846 -12.6655 -12.6655 -12.6655 -12.6655 -9.5332 -9.5332 -9.5330 -9.5330 -9.2479 -9.2479 -9.2477 -9.2477 -7.6842 -7.6842 -7.6842 -7.6842 -6.2398 -6.2398 -6.2397 -6.2397 -4.8793 -4.8793 -4.8790 -4.8790 -4.7226 -4.7226 -4.7221 -4.7221 -4.4720 -4.4720 -4.4713 -4.4713 -3.1263 -3.1263 -3.1262 -3.1262 -2.5938 -2.5938 -2.5935 -2.5935 -2.1541 -2.1541 -2.1537 -2.1537 -0.5637 -0.5637 -0.5636 -0.5636 0.0087 0.0087 0.0087 0.0087 4.6584 4.6584 4.6585 4.6585 5.2346 5.2346 5.2346 5.2346 7.3131 7.3131 7.3133 7.3133 k = 0.5000-0.0000 0.0688 ( 7690 PWs) bands (ev): -15.3747 -15.3747 -15.3747 -15.3747 -12.8832 -12.8832 -12.8832 -12.8832 -12.6668 -12.6668 -12.6668 -12.6668 -9.5324 -9.5324 -9.5323 -9.5323 -9.2489 -9.2489 -9.2488 -9.2488 -7.6854 -7.6854 -7.6853 -7.6853 -6.2395 -6.2395 -6.2395 -6.2395 -4.8754 -4.8754 -4.8752 -4.8752 -4.7160 -4.7160 -4.7155 -4.7155 -4.4793 -4.4793 -4.4787 -4.4787 -3.1319 -3.1319 -3.1318 -3.1318 -2.5908 -2.5908 -2.5905 -2.5905 -2.1538 -2.1538 -2.1535 -2.1535 -0.5639 -0.5639 -0.5639 -0.5639 0.0099 0.0099 0.0099 0.0099 4.6626 4.6626 4.6626 4.6626 5.2315 5.2315 5.2315 5.2315 7.3030 7.3030 7.3031 7.3031 k = 0.5000-0.0000 0.0516 ( 7698 PWs) bands (ev): -15.3748 -15.3748 -15.3748 -15.3748 -12.8820 -12.8820 -12.8820 -12.8820 -12.6678 -12.6678 -12.6678 -12.6678 -9.5318 -9.5318 -9.5317 -9.5317 -9.2498 -9.2498 -9.2497 -9.2497 -7.6863 -7.6863 -7.6863 -7.6863 -6.2394 -6.2394 -6.2394 -6.2394 -4.8723 -4.8723 -4.8722 -4.8722 -4.7102 -4.7102 -4.7098 -4.7098 -4.4856 -4.4856 -4.4851 -4.4851 -3.1364 -3.1364 -3.1363 -3.1363 -2.5884 -2.5884 -2.5882 -2.5882 -2.1535 -2.1535 -2.1533 -2.1533 -0.5641 -0.5641 -0.5641 -0.5641 0.0109 0.0109 0.0110 0.0110 4.6659 4.6659 4.6660 4.6660 5.2291 5.2291 5.2291 5.2291 7.2951 7.2951 7.2952 7.2952 k = 0.5000-0.0000 0.0344 ( 7696 PWs) bands (ev): -15.3748 -15.3748 -15.3748 -15.3748 -12.8812 -12.8812 -12.8812 -12.8812 -12.6685 -12.6685 -12.6685 -12.6685 -9.5313 -9.5313 -9.5312 -9.5312 -9.2504 -9.2504 -9.2503 -9.2503 -7.6870 -7.6870 -7.6870 -7.6870 -6.2393 -6.2393 -6.2393 -6.2393 -4.8701 -4.8701 -4.8700 -4.8700 -4.7057 -4.7057 -4.7054 -4.7054 -4.4904 -4.4904 -4.4900 -4.4900 -3.1396 -3.1396 -3.1396 -3.1396 -2.5866 -2.5866 -2.5865 -2.5865 -2.1533 -2.1533 -2.1531 -2.1531 -0.5643 -0.5643 -0.5643 -0.5643 0.0117 0.0117 0.0117 0.0117 4.6683 4.6683 4.6684 4.6684 5.2274 5.2274 5.2274 5.2274 7.2894 7.2894 7.2895 7.2895 k = 0.5000-0.0000 0.0172 ( 7706 PWs) bands (ev): -15.3749 -15.3749 -15.3749 -15.3749 -12.8807 -12.8807 -12.8806 -12.8806 -12.6689 -12.6689 -12.6689 -12.6689 -9.5310 -9.5310 -9.5310 -9.5310 -9.2508 -9.2508 -9.2507 -9.2507 -7.6874 -7.6874 -7.6874 -7.6874 -6.2392 -6.2392 -6.2392 -6.2392 -4.8688 -4.8688 -4.8688 -4.8688 -4.7028 -4.7028 -4.7026 -4.7026 -4.4934 -4.4934 -4.4932 -4.4932 -3.1416 -3.1416 -3.1415 -3.1415 -2.5856 -2.5856 -2.5855 -2.5855 -2.1532 -2.1532 -2.1531 -2.1531 -0.5644 -0.5644 -0.5644 -0.5644 0.0121 0.0121 0.0121 0.0121 4.6698 4.6698 4.6698 4.6698 5.2263 5.2263 5.2263 5.2263 7.2860 7.2860 7.2860 7.2860 k = 0.5000-0.0000-0.0000 ( 7702 PWs) bands (ev): -15.3749 -15.3749 -15.3749 -15.3749 -12.8805 -12.8805 -12.8805 -12.8805 -12.6691 -12.6691 -12.6691 -12.6691 -9.5309 -9.5309 -9.5309 -9.5309 -9.2509 -9.2509 -9.2509 -9.2509 -7.6875 -7.6875 -7.6875 -7.6875 -6.2392 -6.2392 -6.2392 -6.2392 -4.8684 -4.8684 -4.8684 -4.8684 -4.7017 -4.7017 -4.7017 -4.7017 -4.4944 -4.4944 -4.4944 -4.4944 -3.1422 -3.1422 -3.1422 -3.1422 -2.5852 -2.5852 -2.5852 -2.5852 -2.1531 -2.1531 -2.1531 -2.1531 -0.5644 -0.5644 -0.5644 -0.5644 0.0123 0.0123 0.0123 0.0123 4.6703 4.6703 4.6703 4.6703 5.2260 5.2260 5.2260 5.2260 7.2848 7.2848 7.2848 7.2848 k = 0.0000 0.0000 0.3786 ( 7662 PWs) bands (ev): -15.4184 -15.4184 -15.4184 -15.4184 -12.7957 -12.7957 -12.7957 -12.7957 -12.6468 -12.6468 -12.6468 -12.6468 -9.5693 -9.5693 -9.5693 -9.5693 -9.2023 -9.2023 -9.2023 -9.2023 -7.8004 -7.8004 -7.8004 -7.8004 -6.3094 -6.3094 -6.3094 -6.3094 -4.8657 -4.8657 -4.8657 -4.8657 -4.5662 -4.5662 -4.5662 -4.5662 -4.4959 -4.4959 -4.4959 -4.4959 -2.9925 -2.9925 -2.9925 -2.9925 -2.5312 -2.5312 -2.5312 -2.5312 -2.2179 -2.2179 -2.2179 -2.2179 -0.6438 -0.6438 -0.6438 -0.6438 -0.3038 -0.3038 -0.3038 -0.3038 4.6638 4.6638 4.6638 4.6638 5.0716 5.0716 5.0716 5.0716 6.9814 6.9814 6.9814 6.9814 k = 0.0172-0.0000 0.3786 ( 7668 PWs) bands (ev): -15.4183 -15.4183 -15.4183 -15.4183 -12.7960 -12.7960 -12.7960 -12.7960 -12.6469 -12.6469 -12.6469 -12.6469 -9.5692 -9.5692 -9.5691 -9.5691 -9.2025 -9.2025 -9.2024 -9.2024 -7.8001 -7.8001 -7.8001 -7.8001 -6.3092 -6.3092 -6.3092 -6.3092 -4.8660 -4.8660 -4.8659 -4.8659 -4.5679 -4.5679 -4.5676 -4.5676 -4.4948 -4.4948 -4.4945 -4.4945 -2.9928 -2.9928 -2.9928 -2.9928 -2.5315 -2.5315 -2.5314 -2.5314 -2.2178 -2.2178 -2.2177 -2.2177 -0.6431 -0.6431 -0.6431 -0.6431 -0.3033 -0.3033 -0.3033 -0.3033 4.6645 4.6645 4.6645 4.6645 5.0711 5.0711 5.0711 5.0711 6.9824 6.9824 6.9824 6.9824 k = 0.0345-0.0000 0.3786 ( 7664 PWs) bands (ev): -15.4179 -15.4179 -15.4179 -15.4179 -12.7968 -12.7968 -12.7968 -12.7968 -12.6470 -12.6470 -12.6470 -12.6470 -9.5688 -9.5688 -9.5688 -9.5688 -9.2028 -9.2028 -9.2028 -9.2028 -7.7989 -7.7989 -7.7989 -7.7989 -6.3085 -6.3085 -6.3085 -6.3085 -4.8667 -4.8667 -4.8667 -4.8667 -4.5723 -4.5723 -4.5718 -4.5718 -4.4915 -4.4915 -4.4910 -4.4910 -2.9937 -2.9937 -2.9937 -2.9937 -2.5321 -2.5321 -2.5321 -2.5321 -2.2173 -2.2173 -2.2172 -2.2172 -0.6411 -0.6411 -0.6411 -0.6411 -0.3020 -0.3020 -0.3020 -0.3020 4.6666 4.6666 4.6666 4.6666 5.0698 5.0698 5.0699 5.0699 6.9853 6.9853 6.9853 6.9853 k = 0.0517-0.0000 0.3786 ( 7662 PWs) bands (ev): -15.4173 -15.4173 -15.4173 -15.4173 -12.7983 -12.7983 -12.7983 -12.7983 -12.6472 -12.6472 -12.6472 -12.6472 -9.5682 -9.5682 -9.5681 -9.5681 -9.2034 -9.2034 -9.2034 -9.2034 -7.7971 -7.7971 -7.7970 -7.7970 -6.3075 -6.3075 -6.3075 -6.3075 -4.8680 -4.8680 -4.8679 -4.8679 -4.5789 -4.5789 -4.5782 -4.5782 -4.4866 -4.4866 -4.4859 -4.4859 -2.9952 -2.9952 -2.9952 -2.9952 -2.5332 -2.5332 -2.5331 -2.5331 -2.2166 -2.2166 -2.2164 -2.2164 -0.6378 -0.6378 -0.6378 -0.6378 -0.2998 -0.2998 -0.2998 -0.2998 4.6700 4.6700 4.6700 4.6700 5.0678 5.0678 5.0679 5.0679 6.9902 6.9902 6.9902 6.9902 k = 0.0690-0.0000 0.3786 ( 7670 PWs) bands (ev): -15.4164 -15.4164 -15.4164 -15.4164 -12.8003 -12.8003 -12.8003 -12.8003 -12.6475 -12.6475 -12.6475 -12.6475 -9.5674 -9.5674 -9.5673 -9.5673 -9.2043 -9.2043 -9.2042 -9.2042 -7.7945 -7.7945 -7.7944 -7.7944 -6.3061 -6.3061 -6.3061 -6.3061 -4.8698 -4.8698 -4.8697 -4.8697 -4.5869 -4.5869 -4.5861 -4.5861 -4.4807 -4.4807 -4.4799 -4.4799 -2.9972 -2.9972 -2.9972 -2.9972 -2.5347 -2.5347 -2.5346 -2.5346 -2.2155 -2.2155 -2.2153 -2.2153 -0.6334 -0.6334 -0.6334 -0.6334 -0.2967 -0.2967 -0.2966 -0.2966 4.6744 4.6744 4.6744 4.6744 5.0653 5.0653 5.0653 5.0653 6.9969 6.9969 6.9969 6.9969 k = 0.0862-0.0000 0.3786 ( 7666 PWs) bands (ev): -15.4153 -15.4153 -15.4153 -15.4153 -12.8029 -12.8029 -12.8029 -12.8029 -12.6478 -12.6478 -12.6478 -12.6478 -9.5663 -9.5663 -9.5662 -9.5662 -9.2053 -9.2053 -9.2052 -9.2052 -7.7911 -7.7911 -7.7911 -7.7911 -6.3043 -6.3043 -6.3043 -6.3043 -4.8720 -4.8720 -4.8719 -4.8719 -4.5960 -4.5960 -4.5952 -4.5952 -4.4743 -4.4743 -4.4733 -4.4733 -2.9996 -2.9996 -2.9995 -2.9995 -2.5368 -2.5368 -2.5366 -2.5366 -2.2142 -2.2142 -2.2139 -2.2139 -0.6281 -0.6281 -0.6281 -0.6281 -0.2924 -0.2924 -0.2924 -0.2924 4.6797 4.6797 4.6797 4.6797 5.0625 5.0625 5.0625 5.0625 7.0056 7.0056 7.0056 7.0056 k = 0.1034-0.0000 0.3786 ( 7664 PWs) bands (ev): -15.4139 -15.4139 -15.4139 -15.4139 -12.8061 -12.8061 -12.8061 -12.8061 -12.6481 -12.6481 -12.6481 -12.6481 -9.5651 -9.5651 -9.5650 -9.5650 -9.2065 -9.2065 -9.2064 -9.2064 -7.7871 -7.7871 -7.7871 -7.7871 -6.3022 -6.3022 -6.3022 -6.3022 -4.8747 -4.8747 -4.8745 -4.8745 -4.6060 -4.6060 -4.6051 -4.6051 -4.4675 -4.4675 -4.4666 -4.4666 -3.0022 -3.0022 -3.0022 -3.0022 -2.5393 -2.5393 -2.5392 -2.5392 -2.2126 -2.2126 -2.2123 -2.2123 -0.6221 -0.6221 -0.6220 -0.6220 -0.2870 -0.2870 -0.2870 -0.2870 4.6855 4.6855 4.6855 4.6855 5.0598 5.0598 5.0598 5.0598 7.0162 7.0162 7.0162 7.0162 k = 0.1207-0.0000 0.3786 ( 7664 PWs) bands (ev): -15.4124 -15.4124 -15.4124 -15.4124 -12.8098 -12.8098 -12.8098 -12.8098 -12.6484 -12.6484 -12.6483 -12.6483 -9.5638 -9.5638 -9.5637 -9.5637 -9.2079 -9.2079 -9.2078 -9.2078 -7.7825 -7.7825 -7.7825 -7.7825 -6.2997 -6.2997 -6.2997 -6.2997 -4.8778 -4.8778 -4.8776 -4.8776 -4.6165 -4.6165 -4.6156 -4.6156 -4.4607 -4.4607 -4.4597 -4.4597 -3.0051 -3.0051 -3.0050 -3.0050 -2.5424 -2.5424 -2.5422 -2.5422 -2.2107 -2.2107 -2.2103 -2.2103 -0.6156 -0.6156 -0.6156 -0.6156 -0.2803 -0.2803 -0.2803 -0.2803 4.6913 4.6913 4.6913 4.6913 5.0577 5.0577 5.0577 5.0577 7.0287 7.0287 7.0287 7.0287 k = 0.1379-0.0000 0.3786 ( 7668 PWs) bands (ev): -15.4106 -15.4106 -15.4106 -15.4106 -12.8140 -12.8140 -12.8140 -12.8140 -12.6486 -12.6486 -12.6486 -12.6486 -9.5623 -9.5623 -9.5622 -9.5622 -9.2094 -9.2094 -9.2092 -9.2092 -7.7773 -7.7773 -7.7773 -7.7773 -6.2970 -6.2970 -6.2970 -6.2970 -4.8813 -4.8813 -4.8811 -4.8811 -4.6274 -4.6274 -4.6265 -4.6265 -4.4539 -4.4539 -4.4529 -4.4529 -3.0079 -3.0079 -3.0079 -3.0079 -2.5460 -2.5460 -2.5458 -2.5458 -2.2086 -2.2086 -2.2081 -2.2081 -0.6089 -0.6089 -0.6089 -0.6089 -0.2722 -0.2722 -0.2722 -0.2722 4.6966 4.6966 4.6966 4.6966 5.0565 5.0565 5.0565 5.0565 7.0430 7.0430 7.0431 7.0431 k = 0.1552-0.0000 0.3786 ( 7668 PWs) bands (ev): -15.4087 -15.4087 -15.4087 -15.4087 -12.8187 -12.8187 -12.8187 -12.8187 -12.6488 -12.6488 -12.6488 -12.6488 -9.5608 -9.5608 -9.5607 -9.5607 -9.2110 -9.2110 -9.2108 -9.2108 -7.7715 -7.7715 -7.7715 -7.7715 -6.2940 -6.2940 -6.2940 -6.2940 -4.8852 -4.8852 -4.8849 -4.8849 -4.6387 -4.6387 -4.6378 -4.6378 -4.4472 -4.4472 -4.4461 -4.4461 -3.0108 -3.0108 -3.0107 -3.0107 -2.5503 -2.5503 -2.5500 -2.5500 -2.2062 -2.2062 -2.2057 -2.2057 -0.6022 -0.6022 -0.6022 -0.6022 -0.2627 -0.2627 -0.2627 -0.2627 4.7010 4.7010 4.7010 4.7010 5.0568 5.0568 5.0569 5.0569 7.0593 7.0593 7.0593 7.0593 k = 0.1724-0.0000 0.3786 ( 7666 PWs) bands (ev): -15.4066 -15.4066 -15.4066 -15.4066 -12.8238 -12.8238 -12.8238 -12.8238 -12.6489 -12.6489 -12.6489 -12.6489 -9.5593 -9.5593 -9.5591 -9.5591 -9.2126 -9.2126 -9.2124 -9.2124 -7.7653 -7.7653 -7.7653 -7.7653 -6.2908 -6.2908 -6.2908 -6.2908 -4.8895 -4.8895 -4.8891 -4.8891 -4.6501 -4.6501 -4.6493 -4.6493 -4.4406 -4.4406 -4.4396 -4.4396 -3.0134 -3.0134 -3.0133 -3.0133 -2.5551 -2.5551 -2.5548 -2.5548 -2.2036 -2.2036 -2.2030 -2.2030 -0.5959 -0.5959 -0.5958 -0.5958 -0.2518 -0.2518 -0.2517 -0.2517 4.7038 4.7038 4.7039 4.7039 5.0592 5.0592 5.0592 5.0592 7.0774 7.0774 7.0774 7.0774 k = 0.1897-0.0000 0.3786 ( 7670 PWs) bands (ev): -15.4044 -15.4044 -15.4044 -15.4044 -12.8293 -12.8293 -12.8293 -12.8293 -12.6490 -12.6490 -12.6490 -12.6490 -9.5578 -9.5578 -9.5576 -9.5576 -9.2142 -9.2142 -9.2140 -9.2140 -7.7586 -7.7586 -7.7586 -7.7586 -6.2875 -6.2875 -6.2875 -6.2875 -4.8940 -4.8940 -4.8937 -4.8937 -4.6617 -4.6617 -4.6609 -4.6609 -4.4343 -4.4343 -4.4332 -4.4332 -3.0157 -3.0157 -3.0156 -3.0156 -2.5604 -2.5604 -2.5601 -2.5601 -2.2008 -2.2008 -2.2002 -2.2002 -0.5899 -0.5899 -0.5898 -0.5898 -0.2394 -0.2394 -0.2394 -0.2394 4.7048 4.7048 4.7049 4.7049 5.0640 5.0640 5.0640 5.0640 7.0973 7.0973 7.0974 7.0974 k = 0.2069-0.0000 0.3786 ( 7674 PWs) bands (ev): -15.4021 -15.4021 -15.4021 -15.4021 -12.8352 -12.8352 -12.8352 -12.8352 -12.6489 -12.6489 -12.6489 -12.6489 -9.5563 -9.5563 -9.5561 -9.5561 -9.2158 -9.2158 -9.2155 -9.2155 -7.7516 -7.7516 -7.7516 -7.7516 -6.2840 -6.2840 -6.2840 -6.2840 -4.8989 -4.8989 -4.8985 -4.8985 -4.6733 -4.6733 -4.6726 -4.6726 -4.4281 -4.4281 -4.4271 -4.4271 -3.0176 -3.0176 -3.0175 -3.0175 -2.5664 -2.5664 -2.5660 -2.5660 -2.1979 -2.1979 -2.1973 -2.1973 -0.5845 -0.5845 -0.5845 -0.5845 -0.2257 -0.2257 -0.2257 -0.2257 4.7036 4.7036 4.7036 4.7036 5.0715 5.0715 5.0715 5.0715 7.1191 7.1191 7.1192 7.1192 k = 0.2241-0.0000 0.3786 ( 7676 PWs) bands (ev): -15.3997 -15.3997 -15.3997 -15.3997 -12.8413 -12.8413 -12.8412 -12.8412 -12.6488 -12.6488 -12.6488 -12.6488 -9.5549 -9.5549 -9.5547 -9.5547 -9.2173 -9.2173 -9.2171 -9.2171 -7.7444 -7.7444 -7.7443 -7.7443 -6.2805 -6.2805 -6.2805 -6.2805 -4.9040 -4.9040 -4.9035 -4.9035 -4.6849 -4.6849 -4.6841 -4.6841 -4.4222 -4.4222 -4.4212 -4.4212 -3.0190 -3.0190 -3.0189 -3.0189 -2.5728 -2.5728 -2.5724 -2.5724 -2.1949 -2.1949 -2.1942 -2.1942 -0.5798 -0.5798 -0.5797 -0.5797 -0.2108 -0.2108 -0.2108 -0.2108 4.7000 4.7000 4.7001 4.7001 5.0817 5.0817 5.0818 5.0818 7.1427 7.1427 7.1428 7.1428 k = 0.2414-0.0000 0.3786 ( 7674 PWs) bands (ev): -15.3972 -15.3972 -15.3972 -15.3972 -12.8475 -12.8475 -12.8475 -12.8475 -12.6486 -12.6486 -12.6486 -12.6486 -9.5536 -9.5536 -9.5533 -9.5533 -9.2188 -9.2188 -9.2185 -9.2185 -7.7369 -7.7369 -7.7368 -7.7368 -6.2769 -6.2769 -6.2769 -6.2769 -4.9093 -4.9093 -4.9088 -4.9088 -4.6962 -4.6962 -4.6955 -4.6955 -4.4166 -4.4166 -4.4156 -4.4156 -3.0199 -3.0199 -3.0198 -3.0198 -2.5798 -2.5798 -2.5793 -2.5793 -2.1918 -2.1918 -2.1911 -2.1911 -0.5758 -0.5758 -0.5756 -0.5756 -0.1949 -0.1949 -0.1949 -0.1949 4.6943 4.6943 4.6944 4.6944 5.0945 5.0945 5.0945 5.0945 7.1681 7.1681 7.1682 7.1682 k = 0.2586-0.0000 0.3786 ( 7674 PWs) bands (ev): -15.3948 -15.3948 -15.3948 -15.3948 -12.8539 -12.8539 -12.8539 -12.8539 -12.6483 -12.6483 -12.6483 -12.6483 -9.5524 -9.5524 -9.5522 -9.5522 -9.2201 -9.2201 -9.2198 -9.2198 -7.7293 -7.7293 -7.7292 -7.7292 -6.2734 -6.2734 -6.2734 -6.2734 -4.9148 -4.9148 -4.9142 -4.9142 -4.7072 -4.7072 -4.7066 -4.7066 -4.4113 -4.4113 -4.4103 -4.4103 -3.0203 -3.0203 -3.0201 -3.0201 -2.5871 -2.5871 -2.5866 -2.5866 -2.1886 -2.1886 -2.1879 -2.1879 -0.5724 -0.5724 -0.5722 -0.5722 -0.1783 -0.1783 -0.1782 -0.1782 4.6867 4.6867 4.6868 4.6868 5.1095 5.1095 5.1096 5.1096 7.1953 7.1953 7.1954 7.1954 k = 0.2759-0.0000 0.3786 ( 7672 PWs) bands (ev): -15.3923 -15.3923 -15.3923 -15.3923 -12.8603 -12.8603 -12.8602 -12.8602 -12.6479 -12.6479 -12.6479 -12.6479 -9.5514 -9.5514 -9.5511 -9.5511 -9.2213 -9.2213 -9.2210 -9.2210 -7.7217 -7.7217 -7.7216 -7.7216 -6.2699 -6.2699 -6.2699 -6.2699 -4.9204 -4.9204 -4.9197 -4.9197 -4.7179 -4.7179 -4.7173 -4.7173 -4.4063 -4.4063 -4.4053 -4.4053 -3.0200 -3.0200 -3.0198 -3.0198 -2.5948 -2.5948 -2.5943 -2.5943 -2.1855 -2.1855 -2.1847 -2.1847 -0.5696 -0.5696 -0.5695 -0.5695 -0.1611 -0.1611 -0.1611 -0.1611 4.6775 4.6775 4.6776 4.6776 5.1264 5.1264 5.1265 5.1265 7.2244 7.2244 7.2245 7.2245 k = 0.2931-0.0000 0.3786 ( 7668 PWs) bands (ev): -15.3899 -15.3899 -15.3899 -15.3899 -12.8666 -12.8666 -12.8666 -12.8666 -12.6475 -12.6475 -12.6475 -12.6475 -9.5505 -9.5505 -9.5502 -9.5502 -9.2224 -9.2224 -9.2221 -9.2221 -7.7141 -7.7141 -7.7141 -7.7141 -6.2665 -6.2665 -6.2665 -6.2665 -4.9260 -4.9260 -4.9253 -4.9253 -4.7281 -4.7281 -4.7275 -4.7275 -4.4016 -4.4016 -4.4006 -4.4006 -3.0192 -3.0192 -3.0190 -3.0190 -2.6028 -2.6028 -2.6022 -2.6022 -2.1824 -2.1824 -2.1816 -2.1816 -0.5674 -0.5674 -0.5672 -0.5672 -0.1438 -0.1438 -0.1438 -0.1438 4.6671 4.6671 4.6673 4.6673 5.1446 5.1446 5.1446 5.1446 7.2551 7.2551 7.2553 7.2553 k = 0.3103-0.0000 0.3786 ( 7680 PWs) bands (ev): -15.3875 -15.3875 -15.3875 -15.3875 -12.8728 -12.8728 -12.8727 -12.8727 -12.6471 -12.6471 -12.6471 -12.6471 -9.5498 -9.5498 -9.5495 -9.5495 -9.2234 -9.2234 -9.2231 -9.2231 -7.7067 -7.7067 -7.7067 -7.7067 -6.2633 -6.2633 -6.2632 -6.2632 -4.9317 -4.9317 -4.9310 -4.9310 -4.7377 -4.7377 -4.7372 -4.7372 -4.3972 -4.3972 -4.3962 -4.3962 -3.0179 -3.0179 -3.0177 -3.0177 -2.6109 -2.6109 -2.6103 -2.6103 -2.1794 -2.1794 -2.1786 -2.1786 -0.5656 -0.5656 -0.5655 -0.5655 -0.1266 -0.1266 -0.1266 -0.1266 4.6560 4.6560 4.6562 4.6562 5.1636 5.1636 5.1636 5.1636 7.2877 7.2877 7.2878 7.2878 k = 0.3276-0.0000 0.3786 ( 7668 PWs) bands (ev): -15.3852 -15.3852 -15.3852 -15.3852 -12.8787 -12.8787 -12.8787 -12.8787 -12.6466 -12.6466 -12.6466 -12.6466 -9.5492 -9.5492 -9.5488 -9.5488 -9.2242 -9.2242 -9.2239 -9.2239 -7.6996 -7.6996 -7.6995 -7.6995 -6.2602 -6.2602 -6.2601 -6.2601 -4.9373 -4.9373 -4.9365 -4.9365 -4.7466 -4.7466 -4.7462 -4.7462 -4.3931 -4.3931 -4.3921 -4.3921 -3.0161 -3.0161 -3.0158 -3.0158 -2.6191 -2.6191 -2.6185 -2.6185 -2.1765 -2.1765 -2.1757 -2.1757 -0.5643 -0.5643 -0.5642 -0.5642 -0.1098 -0.1098 -0.1097 -0.1097 4.6445 4.6445 4.6447 4.6447 5.1829 5.1829 5.1829 5.1829 7.3220 7.3220 7.3222 7.3222 k = 0.3448-0.0000 0.3786 ( 7680 PWs) bands (ev): -15.3831 -15.3831 -15.3831 -15.3831 -12.8843 -12.8843 -12.8843 -12.8843 -12.6461 -12.6461 -12.6461 -12.6461 -9.5487 -9.5487 -9.5484 -9.5484 -9.2249 -9.2249 -9.2245 -9.2245 -7.6928 -7.6928 -7.6927 -7.6927 -6.2573 -6.2573 -6.2573 -6.2573 -4.9428 -4.9428 -4.9419 -4.9419 -4.7548 -4.7548 -4.7544 -4.7544 -4.3895 -4.3895 -4.3885 -4.3885 -3.0139 -3.0139 -3.0136 -3.0136 -2.6272 -2.6272 -2.6265 -2.6265 -2.1738 -2.1738 -2.1729 -2.1729 -0.5633 -0.5633 -0.5632 -0.5632 -0.0936 -0.0936 -0.0936 -0.0936 4.6331 4.6331 4.6333 4.6333 5.2019 5.2019 5.2020 5.2020 7.3580 7.3580 7.3582 7.3582 k = 0.3621-0.0000 0.3786 ( 7686 PWs) bands (ev): -15.3811 -15.3811 -15.3811 -15.3811 -12.8896 -12.8896 -12.8896 -12.8896 -12.6456 -12.6456 -12.6456 -12.6456 -9.5484 -9.5484 -9.5480 -9.5480 -9.2255 -9.2255 -9.2251 -9.2251 -7.6864 -7.6864 -7.6864 -7.6864 -6.2547 -6.2547 -6.2546 -6.2546 -4.9480 -4.9480 -4.9471 -4.9471 -4.7622 -4.7622 -4.7619 -4.7619 -4.3861 -4.3861 -4.3851 -4.3851 -3.0113 -3.0113 -3.0111 -3.0111 -2.6350 -2.6350 -2.6344 -2.6344 -2.1713 -2.1713 -2.1704 -2.1704 -0.5626 -0.5626 -0.5625 -0.5625 -0.0784 -0.0784 -0.0784 -0.0784 4.6220 4.6220 4.6222 4.6222 5.2204 5.2204 5.2205 5.2205 7.3957 7.3957 7.3959 7.3959 k = 0.3793-0.0000 0.3786 ( 7676 PWs) bands (ev): -15.3792 -15.3792 -15.3792 -15.3792 -12.8944 -12.8944 -12.8944 -12.8944 -12.6451 -12.6451 -12.6451 -12.6451 -9.5481 -9.5481 -9.5478 -9.5478 -9.2259 -9.2259 -9.2255 -9.2255 -7.6806 -7.6806 -7.6805 -7.6805 -6.2523 -6.2523 -6.2522 -6.2522 -4.9529 -4.9529 -4.9520 -4.9520 -4.7688 -4.7688 -4.7685 -4.7685 -4.3832 -4.3832 -4.3822 -4.3822 -3.0087 -3.0087 -3.0083 -3.0083 -2.6425 -2.6425 -2.6418 -2.6418 -2.1690 -2.1690 -2.1680 -2.1680 -0.5621 -0.5621 -0.5620 -0.5620 -0.0644 -0.0644 -0.0644 -0.0644 4.6115 4.6115 4.6118 4.6118 5.2378 5.2378 5.2378 5.2378 7.4349 7.4349 7.4352 7.4352 k = 0.3966-0.0000 0.3786 ( 7668 PWs) bands (ev): -15.3776 -15.3776 -15.3776 -15.3776 -12.8987 -12.8987 -12.8987 -12.8987 -12.6447 -12.6447 -12.6447 -12.6447 -9.5480 -9.5480 -9.5476 -9.5476 -9.2262 -9.2262 -9.2258 -9.2258 -7.6753 -7.6753 -7.6753 -7.6753 -6.2502 -6.2502 -6.2501 -6.2501 -4.9575 -4.9575 -4.9565 -4.9565 -4.7746 -4.7746 -4.7743 -4.7743 -4.3806 -4.3806 -4.3796 -4.3796 -3.0059 -3.0059 -3.0056 -3.0056 -2.6494 -2.6494 -2.6488 -2.6488 -2.1669 -2.1669 -2.1659 -2.1659 -0.5618 -0.5618 -0.5617 -0.5617 -0.0518 -0.0518 -0.0518 -0.0518 4.6020 4.6020 4.6022 4.6022 5.2537 5.2537 5.2537 5.2537 7.4756 7.4756 7.4759 7.4759 k = 0.4138-0.0000 0.3786 ( 7676 PWs) bands (ev): -15.3761 -15.3761 -15.3761 -15.3761 -12.9025 -12.9025 -12.9024 -12.9024 -12.6443 -12.6443 -12.6443 -12.6443 -9.5479 -9.5479 -9.5475 -9.5475 -9.2265 -9.2265 -9.2261 -9.2261 -7.6708 -7.6708 -7.6707 -7.6707 -6.2484 -6.2484 -6.2483 -6.2483 -4.9615 -4.9615 -4.9605 -4.9605 -4.7795 -4.7795 -4.7792 -4.7792 -4.3784 -4.3784 -4.3774 -4.3774 -3.0032 -3.0032 -3.0029 -3.0029 -2.6557 -2.6557 -2.6550 -2.6550 -2.1651 -2.1651 -2.1642 -2.1642 -0.5616 -0.5616 -0.5614 -0.5614 -0.0408 -0.0408 -0.0408 -0.0408 4.5935 4.5935 4.5938 4.5938 5.2677 5.2677 5.2678 5.2678 7.5175 7.5175 7.5178 7.5178 k = 0.4310-0.0000 0.3786 ( 7680 PWs) bands (ev): -15.3749 -15.3749 -15.3749 -15.3749 -12.9056 -12.9056 -12.9056 -12.9056 -12.6440 -12.6440 -12.6440 -12.6440 -9.5479 -9.5479 -9.5475 -9.5475 -9.2267 -9.2267 -9.2263 -9.2263 -7.6669 -7.6669 -7.6669 -7.6669 -6.2469 -6.2469 -6.2468 -6.2468 -4.9649 -4.9649 -4.9638 -4.9638 -4.7835 -4.7835 -4.7832 -4.7832 -4.3766 -4.3766 -4.3756 -4.3756 -3.0008 -3.0008 -3.0005 -3.0005 -2.6611 -2.6611 -2.6604 -2.6604 -2.1636 -2.1636 -2.1627 -2.1627 -0.5615 -0.5615 -0.5613 -0.5613 -0.0315 -0.0315 -0.0315 -0.0315 4.5864 4.5864 4.5866 4.5866 5.2797 5.2797 5.2797 5.2797 7.5602 7.5602 7.5605 7.5605 k = 0.4483-0.0000 0.3786 ( 7674 PWs) bands (ev): -15.3740 -15.3740 -15.3740 -15.3740 -12.9081 -12.9081 -12.9081 -12.9081 -12.6437 -12.6437 -12.6437 -12.6437 -9.5479 -9.5479 -9.5475 -9.5475 -9.2268 -9.2268 -9.2264 -9.2264 -7.6639 -7.6639 -7.6638 -7.6638 -6.2457 -6.2457 -6.2456 -6.2456 -4.9676 -4.9676 -4.9666 -4.9666 -4.7866 -4.7866 -4.7864 -4.7864 -4.3751 -4.3751 -4.3741 -4.3741 -2.9988 -2.9988 -2.9984 -2.9984 -2.6655 -2.6655 -2.6647 -2.6647 -2.1625 -2.1625 -2.1615 -2.1615 -0.5614 -0.5614 -0.5612 -0.5612 -0.0242 -0.0242 -0.0242 -0.0242 4.5806 4.5806 4.5809 4.5809 5.2893 5.2893 5.2893 5.2893 7.6027 7.6027 7.6031 7.6031 k = 0.4655-0.0000 0.3786 ( 7672 PWs) bands (ev): -15.3733 -15.3733 -15.3733 -15.3733 -12.9099 -12.9099 -12.9098 -12.9098 -12.6435 -12.6435 -12.6435 -12.6435 -9.5479 -9.5479 -9.5475 -9.5475 -9.2269 -9.2269 -9.2265 -9.2265 -7.6617 -7.6617 -7.6616 -7.6616 -6.2448 -6.2448 -6.2448 -6.2448 -4.9696 -4.9696 -4.9686 -4.9686 -4.7888 -4.7888 -4.7886 -4.7886 -4.3741 -4.3741 -4.3731 -4.3731 -2.9972 -2.9972 -2.9968 -2.9968 -2.6687 -2.6687 -2.6680 -2.6680 -2.1616 -2.1616 -2.1606 -2.1606 -0.5614 -0.5614 -0.5612 -0.5612 -0.0189 -0.0189 -0.0189 -0.0189 4.5765 4.5765 4.5767 4.5767 5.2963 5.2963 5.2963 5.2963 7.6430 7.6430 7.6435 7.6435 k = 0.4828-0.0000 0.3786 ( 7672 PWs) bands (ev): -15.3729 -15.3729 -15.3729 -15.3729 -12.9109 -12.9109 -12.9109 -12.9109 -12.6434 -12.6434 -12.6434 -12.6434 -9.5479 -9.5479 -9.5475 -9.5475 -9.2270 -9.2270 -9.2265 -9.2265 -7.6603 -7.6603 -7.6603 -7.6603 -6.2443 -6.2443 -6.2443 -6.2443 -4.9709 -4.9709 -4.9698 -4.9698 -4.7901 -4.7901 -4.7899 -4.7899 -4.3735 -4.3735 -4.3725 -4.3725 -2.9962 -2.9962 -2.9958 -2.9958 -2.6707 -2.6707 -2.6699 -2.6699 -2.1611 -2.1611 -2.1601 -2.1601 -0.5614 -0.5614 -0.5612 -0.5612 -0.0157 -0.0157 -0.0156 -0.0156 4.5739 4.5739 4.5742 4.5742 5.3005 5.3005 5.3006 5.3006 7.6758 7.6758 7.6763 7.6763 k = 0.5000-0.0000 0.3786 ( 7676 PWs) bands (ev): -15.3728 -15.3728 -15.3728 -15.3728 -12.9113 -12.9113 -12.9113 -12.9113 -12.6434 -12.6434 -12.6434 -12.6434 -9.5479 -9.5479 -9.5475 -9.5475 -9.2270 -9.2270 -9.2266 -9.2266 -7.6599 -7.6599 -7.6598 -7.6598 -6.2442 -6.2442 -6.2441 -6.2441 -4.9713 -4.9713 -4.9702 -4.9702 -4.7905 -4.7905 -4.7904 -4.7904 -4.3733 -4.3733 -4.3723 -4.3723 -2.9959 -2.9959 -2.9955 -2.9955 -2.6714 -2.6714 -2.6706 -2.6706 -2.1609 -2.1609 -2.1599 -2.1599 -0.5613 -0.5613 -0.5612 -0.5612 -0.0146 -0.0146 -0.0146 -0.0146 4.5731 4.5731 4.5733 4.5733 5.3020 5.3020 5.3020 5.3020 7.6896 7.6896 7.6902 7.6902 Writing output data file HC.save init_run : 0.67s CPU 0.47s WALL ( 1 calls) electrons : 323.50s CPU 240.51s WALL ( 1 calls) Called by init_run: wfcinit : 0.02s CPU 0.02s WALL ( 1 calls) potinit : 0.19s CPU 0.14s WALL ( 1 calls) Called by electrons: c_bands : 323.49s CPU 240.50s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.03s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.27s CPU 0.25s WALL ( 240 calls) cegterg : 262.66s CPU 204.97s WALL ( 351 calls) Called by sum_band: Called by *egterg: h_psi : 191.08s CPU 123.67s WALL ( 5496 calls) s_psi : 13.10s CPU 9.46s WALL ( 5496 calls) g_psi : 0.46s CPU 0.39s WALL ( 4905 calls) cdiaghg : 69.99s CPU 65.17s WALL ( 5145 calls) cegterg:over : 13.82s CPU 12.18s WALL ( 4905 calls) cegterg:upda : 12.44s CPU 10.95s WALL ( 4905 calls) cegterg:last : 5.16s CPU 5.17s WALL ( 831 calls) cdiaghg:chol : 4.12s CPU 3.79s WALL ( 5145 calls) cdiaghg:inve : 2.75s CPU 2.62s WALL ( 5145 calls) cdiaghg:para : 4.41s CPU 4.30s WALL ( 10290 calls) Called by h_psi: h_psi:vloc : 163.87s CPU 103.87s WALL ( 5496 calls) h_psi:vnl : 26.58s CPU 19.31s WALL ( 5496 calls) add_vuspsi : 12.33s CPU 8.80s WALL ( 5496 calls) General routines calbec : 14.20s CPU 10.49s WALL ( 5496 calls) fft : 0.04s CPU 0.02s WALL ( 19 calls) ffts : 0.01s CPU 0.01s WALL ( 4 calls) fftw : 152.66s CPU 95.43s WALL ( 787748 calls) interpolate : 0.02s CPU 0.01s WALL ( 4 calls) davcio : 0.39s CPU 1.76s WALL ( 480 calls) Parallel routines fft_scatter : 57.89s CPU 41.84s WALL ( 787771 calls) PWSCF : 5m46.78s CPU 5m 0.21s WALL This run was terminated on: 0:34:44 4Aug2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=