Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:17:37 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./SnS.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 46 36 10 1236 830 133 Max 47 37 11 1239 840 137 Sum 1689 1299 383 44555 30073 4853 bravais-lattice index = 14 lattice parameter (alat) = 11.5366 a.u. unit-cell volume = 668.8608 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.536643 celldm(2)= 1.000000 celldm(3)= 0.683382 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.770507 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.770507 0.637432 0.000000 ) a(3) = ( 0.000000 0.000000 0.683382 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.208768 -0.000000 ) b(2) = ( 0.000000 1.568795 -0.000000 ) b(3) = ( 0.000000 0.000000 1.463310 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sn read from file: /users/gautes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Sn 14.00 118.71000 Sn( 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 [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.0000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 0 0 1 ) ( -0.5000000 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) f =( -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( -0.3416911 ) 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 [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 -0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3416911 ) 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 [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 404 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 2) = ( 0.0065676 0.0182418 -0.0000000), wk = 0.0024752 k( 3) = ( 0.0131351 0.0364836 -0.0000000), wk = 0.0024752 k( 4) = ( 0.0197027 0.0547254 -0.0000000), wk = 0.0024752 k( 5) = ( 0.0262702 0.0729672 -0.0000000), wk = 0.0024752 k( 6) = ( 0.0328378 0.0912090 -0.0000000), wk = 0.0024752 k( 7) = ( 0.0394053 0.1094508 -0.0000000), wk = 0.0024752 k( 8) = ( 0.0459729 0.1276926 -0.0000000), wk = 0.0024752 k( 9) = ( 0.0525405 0.1459345 -0.0000000), wk = 0.0024752 k( 10) = ( 0.0591080 0.1641763 -0.0000000), wk = 0.0024752 k( 11) = ( 0.0656756 0.1824181 -0.0000000), wk = 0.0024752 k( 12) = ( 0.0722431 0.2006599 -0.0000000), wk = 0.0024752 k( 13) = ( 0.0788107 0.2189017 -0.0000000), wk = 0.0024752 k( 14) = ( 0.0853783 0.2371435 -0.0000000), wk = 0.0024752 k( 15) = ( 0.0919458 0.2553853 -0.0000000), wk = 0.0024752 k( 16) = ( 0.0985134 0.2736271 -0.0000000), wk = 0.0024752 k( 17) = ( 0.1050809 0.2918689 -0.0000000), wk = 0.0024752 k( 18) = ( 0.1116485 0.3101107 -0.0000000), wk = 0.0024752 k( 19) = ( 0.1182161 0.3283525 -0.0000000), wk = 0.0024752 k( 20) = ( 0.1247836 0.3465943 -0.0000000), wk = 0.0024752 k( 21) = ( 0.1313512 0.3648361 -0.0000000), wk = 0.0024752 k( 22) = ( 0.1379187 0.3830779 -0.0000000), wk = 0.0024752 k( 23) = ( 0.1444863 0.4013198 -0.0000000), wk = 0.0024752 k( 24) = ( 0.1510538 0.4195615 -0.0000000), wk = 0.0024752 k( 25) = ( 0.1576214 0.4378033 -0.0000000), wk = 0.0024752 k( 26) = ( 0.1641890 0.4560452 -0.0000000), wk = 0.0024752 k( 27) = ( 0.1707565 0.4742870 -0.0000000), wk = 0.0024752 k( 28) = ( 0.1773241 0.4925288 -0.0000000), wk = 0.0024752 k( 29) = ( 0.1838916 0.5107706 -0.0000000), wk = 0.0024752 k( 30) = ( 0.1904592 0.5290124 -0.0000000), wk = 0.0024752 k( 31) = ( 0.1970268 0.5472542 -0.0000000), wk = 0.0024752 k( 32) = ( 0.2035943 0.5654960 -0.0000000), wk = 0.0024752 k( 33) = ( 0.2101619 0.5837378 -0.0000000), wk = 0.0024752 k( 34) = ( 0.2167294 0.6019796 -0.0000000), wk = 0.0024752 k( 35) = ( 0.2232970 0.6202214 -0.0000000), wk = 0.0024752 k( 36) = ( 0.2298646 0.6384632 -0.0000000), wk = 0.0024752 k( 37) = ( 0.2364321 0.6567050 -0.0000000), wk = 0.0024752 k( 38) = ( 0.2429997 0.6749468 -0.0000000), wk = 0.0024752 k( 39) = ( 0.2495672 0.6931886 -0.0000000), wk = 0.0024752 k( 40) = ( 0.2561348 0.7114305 -0.0000000), wk = 0.0024752 k( 41) = ( 0.2627023 0.7296723 -0.0000000), wk = 0.0024752 k( 42) = ( 0.2692699 0.7479141 -0.0000000), wk = 0.0024752 k( 43) = ( 0.2758375 0.7661559 -0.0000000), wk = 0.0024752 k( 44) = ( 0.2824050 0.7843977 -0.0000000), wk = 0.0024752 k( 45) = ( 0.2824050 0.7843977 -0.0000000), wk = 0.0024752 k( 46) = ( 0.2635780 0.7843977 -0.0000000), wk = 0.0024752 k( 47) = ( 0.2447510 0.7843977 -0.0000000), wk = 0.0024752 k( 48) = ( 0.2259240 0.7843977 -0.0000000), wk = 0.0024752 k( 49) = ( 0.2070970 0.7843977 -0.0000000), wk = 0.0024752 k( 50) = ( 0.1882700 0.7843977 -0.0000000), wk = 0.0024752 k( 51) = ( 0.1694430 0.7843977 -0.0000000), wk = 0.0024752 k( 52) = ( 0.1506160 0.7843977 -0.0000000), wk = 0.0024752 k( 53) = ( 0.1317890 0.7843977 -0.0000000), wk = 0.0024752 k( 54) = ( 0.1129620 0.7843977 -0.0000000), wk = 0.0024752 k( 55) = ( 0.0941350 0.7843977 -0.0000000), wk = 0.0024752 k( 56) = ( 0.0753080 0.7843977 -0.0000000), wk = 0.0024752 k( 57) = ( 0.0564810 0.7843977 -0.0000000), wk = 0.0024752 k( 58) = ( 0.0376540 0.7843977 -0.0000000), wk = 0.0024752 k( 59) = ( 0.0188270 0.7843977 -0.0000000), wk = 0.0024752 k( 60) = ( 0.0000000 0.7843977 -0.0000000), wk = 0.0024752 k( 61) = ( 0.0000000 0.7843977 -0.0000000), wk = 0.0024752 k( 62) = ( 0.0000000 0.7843977 0.0192541), wk = 0.0024752 k( 63) = ( 0.0000000 0.7843977 0.0385082), wk = 0.0024752 k( 64) = ( 0.0000000 0.7843977 0.0577622), wk = 0.0024752 k( 65) = ( 0.0000000 0.7843977 0.0770163), wk = 0.0024752 k( 66) = ( 0.0000000 0.7843977 0.0962704), wk = 0.0024752 k( 67) = ( 0.0000000 0.7843977 0.1155245), wk = 0.0024752 k( 68) = ( 0.0000000 0.7843977 0.1347785), wk = 0.0024752 k( 69) = ( 0.0000000 0.7843977 0.1540326), wk = 0.0024752 k( 70) = ( 0.0000000 0.7843977 0.1732867), wk = 0.0024752 k( 71) = ( 0.0000000 0.7843977 0.1925408), wk = 0.0024752 k( 72) = ( 0.0000000 0.7843977 0.2117949), wk = 0.0024752 k( 73) = ( 0.0000000 0.7843977 0.2310489), wk = 0.0024752 k( 74) = ( 0.0000000 0.7843977 0.2503030), wk = 0.0024752 k( 75) = ( 0.0000000 0.7843977 0.2695571), wk = 0.0024752 k( 76) = ( 0.0000000 0.7843977 0.2888112), wk = 0.0024752 k( 77) = ( 0.0000000 0.7843977 0.3080653), wk = 0.0024752 k( 78) = ( 0.0000000 0.7843977 0.3273193), wk = 0.0024752 k( 79) = ( 0.0000000 0.7843977 0.3465734), wk = 0.0024752 k( 80) = ( 0.0000000 0.7843977 0.3658275), wk = 0.0024752 k( 81) = ( 0.0000000 0.7843977 0.3850816), wk = 0.0024752 k( 82) = ( 0.0000000 0.7843977 0.4043356), wk = 0.0024752 k( 83) = ( 0.0000000 0.7843977 0.4235897), wk = 0.0024752 k( 84) = ( 0.0000000 0.7843977 0.4428438), wk = 0.0024752 k( 85) = ( 0.0000000 0.7843977 0.4620979), wk = 0.0024752 k( 86) = ( 0.0000000 0.7843977 0.4813520), wk = 0.0024752 k( 87) = ( 0.0000000 0.7843977 0.5006060), wk = 0.0024752 k( 88) = ( 0.0000000 0.7843977 0.5198601), wk = 0.0024752 k( 89) = ( 0.0000000 0.7843977 0.5391142), wk = 0.0024752 k( 90) = ( 0.0000000 0.7843977 0.5583683), wk = 0.0024752 k( 91) = ( 0.0000000 0.7843977 0.5776223), wk = 0.0024752 k( 92) = ( 0.0000000 0.7843977 0.5968764), wk = 0.0024752 k( 93) = ( 0.0000000 0.7843977 0.6161305), wk = 0.0024752 k( 94) = ( 0.0000000 0.7843977 0.6353846), wk = 0.0024752 k( 95) = ( 0.0000000 0.7843977 0.6546387), wk = 0.0024752 k( 96) = ( 0.0000000 0.7843977 0.6738928), wk = 0.0024752 k( 97) = ( 0.0000000 0.7843977 0.6931468), wk = 0.0024752 k( 98) = ( 0.0000000 0.7843977 0.7124009), wk = 0.0024752 k( 99) = ( 0.0000000 0.7843977 0.7316550), wk = 0.0024752 k( 100) = ( 0.0000000 0.7843977 0.7316550), wk = 0.0024752 k( 101) = ( 0.0188270 0.7843977 0.7316550), wk = 0.0024752 k( 102) = ( 0.0376540 0.7843977 0.7316550), wk = 0.0024752 k( 103) = ( 0.0564810 0.7843977 0.7316550), wk = 0.0024752 k( 104) = ( 0.0753080 0.7843977 0.7316550), wk = 0.0024752 k( 105) = ( 0.0941350 0.7843977 0.7316550), wk = 0.0024752 k( 106) = ( 0.1129620 0.7843977 0.7316550), wk = 0.0024752 k( 107) = ( 0.1317890 0.7843977 0.7316550), wk = 0.0024752 k( 108) = ( 0.1506160 0.7843977 0.7316550), wk = 0.0024752 k( 109) = ( 0.1694430 0.7843977 0.7316550), wk = 0.0024752 k( 110) = ( 0.1882700 0.7843977 0.7316550), wk = 0.0024752 k( 111) = ( 0.2070970 0.7843977 0.7316550), wk = 0.0024752 k( 112) = ( 0.2259240 0.7843977 0.7316550), wk = 0.0024752 k( 113) = ( 0.2447510 0.7843977 0.7316550), wk = 0.0024752 k( 114) = ( 0.2635780 0.7843977 0.7316550), wk = 0.0024752 k( 115) = ( 0.2824050 0.7843977 0.7316550), wk = 0.0024752 k( 116) = ( 0.2824050 0.7843977 0.7316550), wk = 0.0024752 k( 117) = ( 0.2758375 0.7661559 0.7316550), wk = 0.0024752 k( 118) = ( 0.2692699 0.7479141 0.7316550), wk = 0.0024752 k( 119) = ( 0.2627023 0.7296723 0.7316550), wk = 0.0024752 k( 120) = ( 0.2561348 0.7114305 0.7316550), wk = 0.0024752 k( 121) = ( 0.2495672 0.6931886 0.7316550), wk = 0.0024752 k( 122) = ( 0.2429997 0.6749468 0.7316550), wk = 0.0024752 k( 123) = ( 0.2364321 0.6567050 0.7316550), wk = 0.0024752 k( 124) = ( 0.2298646 0.6384632 0.7316550), wk = 0.0024752 k( 125) = ( 0.2232970 0.6202214 0.7316550), wk = 0.0024752 k( 126) = ( 0.2167294 0.6019796 0.7316550), wk = 0.0024752 k( 127) = ( 0.2101619 0.5837378 0.7316550), wk = 0.0024752 k( 128) = ( 0.2035943 0.5654960 0.7316550), wk = 0.0024752 k( 129) = ( 0.1970268 0.5472542 0.7316550), wk = 0.0024752 k( 130) = ( 0.1904592 0.5290124 0.7316550), wk = 0.0024752 k( 131) = ( 0.1838916 0.5107706 0.7316550), wk = 0.0024752 k( 132) = ( 0.1773241 0.4925288 0.7316550), wk = 0.0024752 k( 133) = ( 0.1707565 0.4742870 0.7316550), wk = 0.0024752 k( 134) = ( 0.1641890 0.4560452 0.7316550), wk = 0.0024752 k( 135) = ( 0.1576214 0.4378033 0.7316550), wk = 0.0024752 k( 136) = ( 0.1510538 0.4195615 0.7316550), wk = 0.0024752 k( 137) = ( 0.1444863 0.4013198 0.7316550), wk = 0.0024752 k( 138) = ( 0.1379187 0.3830779 0.7316550), wk = 0.0024752 k( 139) = ( 0.1313512 0.3648361 0.7316550), wk = 0.0024752 k( 140) = ( 0.1247836 0.3465943 0.7316550), wk = 0.0024752 k( 141) = ( 0.1182161 0.3283525 0.7316550), wk = 0.0024752 k( 142) = ( 0.1116485 0.3101107 0.7316550), wk = 0.0024752 k( 143) = ( 0.1050809 0.2918689 0.7316550), wk = 0.0024752 k( 144) = ( 0.0985134 0.2736271 0.7316550), wk = 0.0024752 k( 145) = ( 0.0919458 0.2553853 0.7316550), wk = 0.0024752 k( 146) = ( 0.0853783 0.2371435 0.7316550), wk = 0.0024752 k( 147) = ( 0.0788107 0.2189017 0.7316550), wk = 0.0024752 k( 148) = ( 0.0722431 0.2006599 0.7316550), wk = 0.0024752 k( 149) = ( 0.0656756 0.1824181 0.7316550), wk = 0.0024752 k( 150) = ( 0.0591080 0.1641763 0.7316550), wk = 0.0024752 k( 151) = ( 0.0525405 0.1459345 0.7316550), wk = 0.0024752 k( 152) = ( 0.0459729 0.1276926 0.7316550), wk = 0.0024752 k( 153) = ( 0.0394053 0.1094508 0.7316550), wk = 0.0024752 k( 154) = ( 0.0328378 0.0912090 0.7316550), wk = 0.0024752 k( 155) = ( 0.0262702 0.0729672 0.7316550), wk = 0.0024752 k( 156) = ( 0.0197027 0.0547254 0.7316550), wk = 0.0024752 k( 157) = ( 0.0131351 0.0364836 0.7316550), wk = 0.0024752 k( 158) = ( 0.0065676 0.0182418 0.7316550), wk = 0.0024752 k( 159) = ( 0.0000000 0.0000000 0.7316550), wk = 0.0024752 k( 160) = ( 0.0000000 0.0000000 0.7316550), wk = 0.0024752 k( 161) = ( 0.0000000 0.0000000 0.7124009), wk = 0.0024752 k( 162) = ( 0.0000000 0.0000000 0.6931468), wk = 0.0024752 k( 163) = ( 0.0000000 0.0000000 0.6738928), wk = 0.0024752 k( 164) = ( 0.0000000 0.0000000 0.6546387), wk = 0.0024752 k( 165) = ( 0.0000000 0.0000000 0.6353846), wk = 0.0024752 k( 166) = ( 0.0000000 0.0000000 0.6161305), wk = 0.0024752 k( 167) = ( 0.0000000 0.0000000 0.5968764), wk = 0.0024752 k( 168) = ( 0.0000000 0.0000000 0.5776223), wk = 0.0024752 k( 169) = ( 0.0000000 0.0000000 0.5583683), wk = 0.0024752 k( 170) = ( 0.0000000 0.0000000 0.5391142), wk = 0.0024752 k( 171) = ( 0.0000000 0.0000000 0.5198601), wk = 0.0024752 k( 172) = ( 0.0000000 0.0000000 0.5006060), wk = 0.0024752 k( 173) = ( 0.0000000 0.0000000 0.4813520), wk = 0.0024752 k( 174) = ( 0.0000000 0.0000000 0.4620979), wk = 0.0024752 k( 175) = ( 0.0000000 0.0000000 0.4428438), wk = 0.0024752 k( 176) = ( 0.0000000 0.0000000 0.4235897), wk = 0.0024752 k( 177) = ( 0.0000000 0.0000000 0.4043356), wk = 0.0024752 k( 178) = ( 0.0000000 0.0000000 0.3850816), wk = 0.0024752 k( 179) = ( 0.0000000 0.0000000 0.3658275), wk = 0.0024752 k( 180) = ( 0.0000000 0.0000000 0.3465734), wk = 0.0024752 k( 181) = ( 0.0000000 0.0000000 0.3273193), wk = 0.0024752 k( 182) = ( 0.0000000 0.0000000 0.3080653), wk = 0.0024752 k( 183) = ( 0.0000000 0.0000000 0.2888112), wk = 0.0024752 k( 184) = ( 0.0000000 0.0000000 0.2695571), wk = 0.0024752 k( 185) = ( 0.0000000 0.0000000 0.2503030), wk = 0.0024752 k( 186) = ( 0.0000000 0.0000000 0.2310489), wk = 0.0024752 k( 187) = ( 0.0000000 0.0000000 0.2117949), wk = 0.0024752 k( 188) = ( 0.0000000 0.0000000 0.1925408), wk = 0.0024752 k( 189) = ( 0.0000000 0.0000000 0.1732867), wk = 0.0024752 k( 190) = ( 0.0000000 0.0000000 0.1540326), wk = 0.0024752 k( 191) = ( 0.0000000 0.0000000 0.1347785), wk = 0.0024752 k( 192) = ( 0.0000000 0.0000000 0.1155245), wk = 0.0024752 k( 193) = ( 0.0000000 0.0000000 0.0962704), wk = 0.0024752 k( 194) = ( 0.0000000 0.0000000 0.0770163), wk = 0.0024752 k( 195) = ( 0.0000000 0.0000000 0.0577622), wk = 0.0024752 k( 196) = ( 0.0000000 0.0000000 0.0385082), wk = 0.0024752 k( 197) = ( 0.0000000 0.0000000 0.0192541), wk = 0.0024752 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 199) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 200) = ( -0.0178571 0.0064291 -0.0000000), wk = 0.0024752 k( 201) = ( -0.0357143 0.0128581 -0.0000000), wk = 0.0024752 k( 202) = ( -0.0535714 0.0192872 -0.0000000), wk = 0.0024752 k( 203) = ( -0.0714286 0.0257163 -0.0000000), wk = 0.0024752 k( 204) = ( -0.0892857 0.0321453 -0.0000000), wk = 0.0024752 k( 205) = ( -0.1071429 0.0385744 -0.0000000), wk = 0.0024752 k( 206) = ( -0.1250000 0.0450035 -0.0000000), wk = 0.0024752 k( 207) = ( -0.1428571 0.0514325 -0.0000000), wk = 0.0024752 k( 208) = ( -0.1607143 0.0578616 -0.0000000), wk = 0.0024752 k( 209) = ( -0.1785714 0.0642907 -0.0000000), wk = 0.0024752 k( 210) = ( -0.1964286 0.0707198 -0.0000000), wk = 0.0024752 k( 211) = ( -0.2142857 0.0771488 -0.0000000), wk = 0.0024752 k( 212) = ( -0.2321429 0.0835779 -0.0000000), wk = 0.0024752 k( 213) = ( -0.2500000 0.0900070 -0.0000000), wk = 0.0024752 k( 214) = ( -0.2678571 0.0964360 -0.0000000), wk = 0.0024752 k( 215) = ( -0.2857143 0.1028651 -0.0000000), wk = 0.0024752 k( 216) = ( -0.3035714 0.1092942 -0.0000000), wk = 0.0024752 k( 217) = ( -0.3214286 0.1157232 -0.0000000), wk = 0.0024752 k( 218) = ( -0.3392857 0.1221523 -0.0000000), wk = 0.0024752 k( 219) = ( -0.3571429 0.1285814 -0.0000000), wk = 0.0024752 k( 220) = ( -0.3750000 0.1350104 -0.0000000), wk = 0.0024752 k( 221) = ( -0.3928571 0.1414395 -0.0000000), wk = 0.0024752 k( 222) = ( -0.4107143 0.1478686 -0.0000000), wk = 0.0024752 k( 223) = ( -0.4285714 0.1542977 -0.0000000), wk = 0.0024752 k( 224) = ( -0.4464286 0.1607267 -0.0000000), wk = 0.0024752 k( 225) = ( -0.4642857 0.1671558 -0.0000000), wk = 0.0024752 k( 226) = ( -0.4821429 0.1735849 -0.0000000), wk = 0.0024752 k( 227) = ( -0.5000000 0.1800139 -0.0000000), wk = 0.0024752 k( 228) = ( -0.5000000 0.1800139 -0.0000000), wk = 0.0024752 k( 229) = ( -0.4936002 0.1977899 -0.0000000), wk = 0.0024752 k( 230) = ( -0.4872003 0.2155659 -0.0000000), wk = 0.0024752 k( 231) = ( -0.4808004 0.2333419 -0.0000000), wk = 0.0024752 k( 232) = ( -0.4744006 0.2511179 -0.0000000), wk = 0.0024752 k( 233) = ( -0.4680007 0.2688939 -0.0000000), wk = 0.0024752 k( 234) = ( -0.4616009 0.2866699 -0.0000000), wk = 0.0024752 k( 235) = ( -0.4552010 0.3044459 -0.0000000), wk = 0.0024752 k( 236) = ( -0.4488012 0.3222219 -0.0000000), wk = 0.0024752 k( 237) = ( -0.4424013 0.3399979 -0.0000000), wk = 0.0024752 k( 238) = ( -0.4360015 0.3577739 -0.0000000), wk = 0.0024752 k( 239) = ( -0.4296016 0.3755499 -0.0000000), wk = 0.0024752 k( 240) = ( -0.4232018 0.3933258 -0.0000000), wk = 0.0024752 k( 241) = ( -0.4168019 0.4111018 -0.0000000), wk = 0.0024752 k( 242) = ( -0.4104021 0.4288778 -0.0000000), wk = 0.0024752 k( 243) = ( -0.4040022 0.4466538 -0.0000000), wk = 0.0024752 k( 244) = ( -0.3976024 0.4644298 -0.0000000), wk = 0.0024752 k( 245) = ( -0.3912025 0.4822058 -0.0000000), wk = 0.0024752 k( 246) = ( -0.3848027 0.4999818 -0.0000000), wk = 0.0024752 k( 247) = ( -0.3784028 0.5177578 -0.0000000), wk = 0.0024752 k( 248) = ( -0.3720029 0.5355338 -0.0000000), wk = 0.0024752 k( 249) = ( -0.3656031 0.5533098 -0.0000000), wk = 0.0024752 k( 250) = ( -0.3592032 0.5710858 -0.0000000), wk = 0.0024752 k( 251) = ( -0.3528034 0.5888618 -0.0000000), wk = 0.0024752 k( 252) = ( -0.3464035 0.6066378 -0.0000000), wk = 0.0024752 k( 253) = ( -0.3400037 0.6244137 -0.0000000), wk = 0.0024752 k( 254) = ( -0.3336038 0.6421897 -0.0000000), wk = 0.0024752 k( 255) = ( -0.3272040 0.6599657 -0.0000000), wk = 0.0024752 k( 256) = ( -0.3208041 0.6777417 -0.0000000), wk = 0.0024752 k( 257) = ( -0.3144043 0.6955177 -0.0000000), wk = 0.0024752 k( 258) = ( -0.3080044 0.7132937 -0.0000000), wk = 0.0024752 k( 259) = ( -0.3016046 0.7310697 -0.0000000), wk = 0.0024752 k( 260) = ( -0.2952047 0.7488457 -0.0000000), wk = 0.0024752 k( 261) = ( -0.2888049 0.7666217 -0.0000000), wk = 0.0024752 k( 262) = ( -0.2824050 0.7843977 -0.0000000), wk = 0.0024752 k( 263) = ( -0.2824050 0.7843977 -0.0000000), wk = 0.0024752 k( 264) = ( -0.2824050 0.7843977 0.0192541), wk = 0.0024752 k( 265) = ( -0.2824050 0.7843977 0.0385082), wk = 0.0024752 k( 266) = ( -0.2824050 0.7843977 0.0577622), wk = 0.0024752 k( 267) = ( -0.2824050 0.7843977 0.0770163), wk = 0.0024752 k( 268) = ( -0.2824050 0.7843977 0.0962704), wk = 0.0024752 k( 269) = ( -0.2824050 0.7843977 0.1155245), wk = 0.0024752 k( 270) = ( -0.2824050 0.7843977 0.1347785), wk = 0.0024752 k( 271) = ( -0.2824050 0.7843977 0.1540326), wk = 0.0024752 k( 272) = ( -0.2824050 0.7843977 0.1732867), wk = 0.0024752 k( 273) = ( -0.2824050 0.7843977 0.1925408), wk = 0.0024752 k( 274) = ( -0.2824050 0.7843977 0.2117949), wk = 0.0024752 k( 275) = ( -0.2824050 0.7843977 0.2310489), wk = 0.0024752 k( 276) = ( -0.2824050 0.7843977 0.2503030), wk = 0.0024752 k( 277) = ( -0.2824050 0.7843977 0.2695571), wk = 0.0024752 k( 278) = ( -0.2824050 0.7843977 0.2888112), wk = 0.0024752 k( 279) = ( -0.2824050 0.7843977 0.3080653), wk = 0.0024752 k( 280) = ( -0.2824050 0.7843977 0.3273193), wk = 0.0024752 k( 281) = ( -0.2824050 0.7843977 0.3465734), wk = 0.0024752 k( 282) = ( -0.2824050 0.7843977 0.3658275), wk = 0.0024752 k( 283) = ( -0.2824050 0.7843977 0.3850816), wk = 0.0024752 k( 284) = ( -0.2824050 0.7843977 0.4043356), wk = 0.0024752 k( 285) = ( -0.2824050 0.7843977 0.4235897), wk = 0.0024752 k( 286) = ( -0.2824050 0.7843977 0.4428438), wk = 0.0024752 k( 287) = ( -0.2824050 0.7843977 0.4620979), wk = 0.0024752 k( 288) = ( -0.2824050 0.7843977 0.4813520), wk = 0.0024752 k( 289) = ( -0.2824050 0.7843977 0.5006060), wk = 0.0024752 k( 290) = ( -0.2824050 0.7843977 0.5198601), wk = 0.0024752 k( 291) = ( -0.2824050 0.7843977 0.5391142), wk = 0.0024752 k( 292) = ( -0.2824050 0.7843977 0.5583683), wk = 0.0024752 k( 293) = ( -0.2824050 0.7843977 0.5776223), wk = 0.0024752 k( 294) = ( -0.2824050 0.7843977 0.5968764), wk = 0.0024752 k( 295) = ( -0.2824050 0.7843977 0.6161305), wk = 0.0024752 k( 296) = ( -0.2824050 0.7843977 0.6353846), wk = 0.0024752 k( 297) = ( -0.2824050 0.7843977 0.6546387), wk = 0.0024752 k( 298) = ( -0.2824050 0.7843977 0.6738928), wk = 0.0024752 k( 299) = ( -0.2824050 0.7843977 0.6931468), wk = 0.0024752 k( 300) = ( -0.2824050 0.7843977 0.7124009), wk = 0.0024752 k( 301) = ( -0.2824050 0.7843977 0.7316550), wk = 0.0024752 k( 302) = ( -0.2824050 0.7843977 0.7316550), wk = 0.0024752 k( 303) = ( -0.2888049 0.7666217 0.7316550), wk = 0.0024752 k( 304) = ( -0.2952047 0.7488457 0.7316550), wk = 0.0024752 k( 305) = ( -0.3016046 0.7310697 0.7316550), wk = 0.0024752 k( 306) = ( -0.3080044 0.7132937 0.7316550), wk = 0.0024752 k( 307) = ( -0.3144043 0.6955177 0.7316550), wk = 0.0024752 k( 308) = ( -0.3208041 0.6777417 0.7316550), wk = 0.0024752 k( 309) = ( -0.3272040 0.6599657 0.7316550), wk = 0.0024752 k( 310) = ( -0.3336038 0.6421897 0.7316550), wk = 0.0024752 k( 311) = ( -0.3400037 0.6244137 0.7316550), wk = 0.0024752 k( 312) = ( -0.3464035 0.6066378 0.7316550), wk = 0.0024752 k( 313) = ( -0.3528034 0.5888618 0.7316550), wk = 0.0024752 k( 314) = ( -0.3592032 0.5710858 0.7316550), wk = 0.0024752 k( 315) = ( -0.3656031 0.5533098 0.7316550), wk = 0.0024752 k( 316) = ( -0.3720029 0.5355338 0.7316550), wk = 0.0024752 k( 317) = ( -0.3784028 0.5177578 0.7316550), wk = 0.0024752 k( 318) = ( -0.3848027 0.4999818 0.7316550), wk = 0.0024752 k( 319) = ( -0.3912025 0.4822058 0.7316550), wk = 0.0024752 k( 320) = ( -0.3976024 0.4644298 0.7316550), wk = 0.0024752 k( 321) = ( -0.4040022 0.4466538 0.7316550), wk = 0.0024752 k( 322) = ( -0.4104021 0.4288778 0.7316550), wk = 0.0024752 k( 323) = ( -0.4168019 0.4111018 0.7316550), wk = 0.0024752 k( 324) = ( -0.4232018 0.3933258 0.7316550), wk = 0.0024752 k( 325) = ( -0.4296016 0.3755499 0.7316550), wk = 0.0024752 k( 326) = ( -0.4360015 0.3577739 0.7316550), wk = 0.0024752 k( 327) = ( -0.4424013 0.3399979 0.7316550), wk = 0.0024752 k( 328) = ( -0.4488012 0.3222219 0.7316550), wk = 0.0024752 k( 329) = ( -0.4552010 0.3044459 0.7316550), wk = 0.0024752 k( 330) = ( -0.4616009 0.2866699 0.7316550), wk = 0.0024752 k( 331) = ( -0.4680007 0.2688939 0.7316550), wk = 0.0024752 k( 332) = ( -0.4744006 0.2511179 0.7316550), wk = 0.0024752 k( 333) = ( -0.4808004 0.2333419 0.7316550), wk = 0.0024752 k( 334) = ( -0.4872003 0.2155659 0.7316550), wk = 0.0024752 k( 335) = ( -0.4936002 0.1977899 0.7316550), wk = 0.0024752 k( 336) = ( -0.5000000 0.1800139 0.7316550), wk = 0.0024752 k( 337) = ( -0.5000000 0.1800139 0.7316550), wk = 0.0024752 k( 338) = ( -0.5000000 0.1800139 0.7124009), wk = 0.0024752 k( 339) = ( -0.5000000 0.1800139 0.6931468), wk = 0.0024752 k( 340) = ( -0.5000000 0.1800139 0.6738928), wk = 0.0024752 k( 341) = ( -0.5000000 0.1800139 0.6546387), wk = 0.0024752 k( 342) = ( -0.5000000 0.1800139 0.6353846), wk = 0.0024752 k( 343) = ( -0.5000000 0.1800139 0.6161305), wk = 0.0024752 k( 344) = ( -0.5000000 0.1800139 0.5968764), wk = 0.0024752 k( 345) = ( -0.5000000 0.1800139 0.5776223), wk = 0.0024752 k( 346) = ( -0.5000000 0.1800139 0.5583683), wk = 0.0024752 k( 347) = ( -0.5000000 0.1800139 0.5391142), wk = 0.0024752 k( 348) = ( -0.5000000 0.1800139 0.5198601), wk = 0.0024752 k( 349) = ( -0.5000000 0.1800139 0.5006060), wk = 0.0024752 k( 350) = ( -0.5000000 0.1800139 0.4813520), wk = 0.0024752 k( 351) = ( -0.5000000 0.1800139 0.4620979), wk = 0.0024752 k( 352) = ( -0.5000000 0.1800139 0.4428438), wk = 0.0024752 k( 353) = ( -0.5000000 0.1800139 0.4235897), wk = 0.0024752 k( 354) = ( -0.5000000 0.1800139 0.4043356), wk = 0.0024752 k( 355) = ( -0.5000000 0.1800139 0.3850816), wk = 0.0024752 k( 356) = ( -0.5000000 0.1800139 0.3658275), wk = 0.0024752 k( 357) = ( -0.5000000 0.1800139 0.3465734), wk = 0.0024752 k( 358) = ( -0.5000000 0.1800139 0.3273193), wk = 0.0024752 k( 359) = ( -0.5000000 0.1800139 0.3080653), wk = 0.0024752 k( 360) = ( -0.5000000 0.1800139 0.2888112), wk = 0.0024752 k( 361) = ( -0.5000000 0.1800139 0.2695571), wk = 0.0024752 k( 362) = ( -0.5000000 0.1800139 0.2503030), wk = 0.0024752 k( 363) = ( -0.5000000 0.1800139 0.2310489), wk = 0.0024752 k( 364) = ( -0.5000000 0.1800139 0.2117949), wk = 0.0024752 k( 365) = ( -0.5000000 0.1800139 0.1925408), wk = 0.0024752 k( 366) = ( -0.5000000 0.1800139 0.1732867), wk = 0.0024752 k( 367) = ( -0.5000000 0.1800139 0.1540326), wk = 0.0024752 k( 368) = ( -0.5000000 0.1800139 0.1347785), wk = 0.0024752 k( 369) = ( -0.5000000 0.1800139 0.1155245), wk = 0.0024752 k( 370) = ( -0.5000000 0.1800139 0.0962704), wk = 0.0024752 k( 371) = ( -0.5000000 0.1800139 0.0770163), wk = 0.0024752 k( 372) = ( -0.5000000 0.1800139 0.0577622), wk = 0.0024752 k( 373) = ( -0.5000000 0.1800139 0.0385082), wk = 0.0024752 k( 374) = ( -0.5000000 0.1800139 0.0192541), wk = 0.0024752 k( 375) = ( -0.5000000 0.1800139 -0.0000000), wk = 0.0024752 k( 376) = ( 0.0000000 0.0000000 0.7316550), wk = 0.0024752 k( 377) = ( -0.0178571 0.0064291 0.7316550), wk = 0.0024752 k( 378) = ( -0.0357143 0.0128581 0.7316550), wk = 0.0024752 k( 379) = ( -0.0535714 0.0192872 0.7316550), wk = 0.0024752 k( 380) = ( -0.0714286 0.0257163 0.7316550), wk = 0.0024752 k( 381) = ( -0.0892857 0.0321453 0.7316550), wk = 0.0024752 k( 382) = ( -0.1071429 0.0385744 0.7316550), wk = 0.0024752 k( 383) = ( -0.1250000 0.0450035 0.7316550), wk = 0.0024752 k( 384) = ( -0.1428571 0.0514325 0.7316550), wk = 0.0024752 k( 385) = ( -0.1607143 0.0578616 0.7316550), wk = 0.0024752 k( 386) = ( -0.1785714 0.0642907 0.7316550), wk = 0.0024752 k( 387) = ( -0.1964286 0.0707198 0.7316550), wk = 0.0024752 k( 388) = ( -0.2142857 0.0771488 0.7316550), wk = 0.0024752 k( 389) = ( -0.2321429 0.0835779 0.7316550), wk = 0.0024752 k( 390) = ( -0.2500000 0.0900070 0.7316550), wk = 0.0024752 k( 391) = ( -0.2678571 0.0964360 0.7316550), wk = 0.0024752 k( 392) = ( -0.2857143 0.1028651 0.7316550), wk = 0.0024752 k( 393) = ( -0.3035714 0.1092942 0.7316550), wk = 0.0024752 k( 394) = ( -0.3214286 0.1157232 0.7316550), wk = 0.0024752 k( 395) = ( -0.3392857 0.1221523 0.7316550), wk = 0.0024752 k( 396) = ( -0.3571429 0.1285814 0.7316550), wk = 0.0024752 k( 397) = ( -0.3750000 0.1350104 0.7316550), wk = 0.0024752 k( 398) = ( -0.3928571 0.1414395 0.7316550), wk = 0.0024752 k( 399) = ( -0.4107143 0.1478686 0.7316550), wk = 0.0024752 k( 400) = ( -0.4285714 0.1542977 0.7316550), wk = 0.0024752 k( 401) = ( -0.4464286 0.1607267 0.7316550), wk = 0.0024752 k( 402) = ( -0.4642857 0.1671558 0.7316550), wk = 0.0024752 k( 403) = ( -0.4821429 0.1735849 0.7316550), wk = 0.0024752 k( 404) = ( -0.5000000 0.1800139 0.7316550), wk = 0.0024752 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 2) = ( 0.0065676 0.0065676 -0.0000000), wk = 0.0024752 k( 3) = ( 0.0131351 0.0131351 -0.0000000), wk = 0.0024752 k( 4) = ( 0.0197027 0.0197027 0.0000000), wk = 0.0024752 k( 5) = ( 0.0262702 0.0262702 -0.0000000), wk = 0.0024752 k( 6) = ( 0.0328378 0.0328378 -0.0000000), wk = 0.0024752 k( 7) = ( 0.0394053 0.0394053 -0.0000000), wk = 0.0024752 k( 8) = ( 0.0459729 0.0459729 0.0000000), wk = 0.0024752 k( 9) = ( 0.0525405 0.0525405 0.0000000), wk = 0.0024752 k( 10) = ( 0.0591080 0.0591080 -0.0000000), wk = 0.0024752 k( 11) = ( 0.0656756 0.0656756 -0.0000000), wk = 0.0024752 k( 12) = ( 0.0722431 0.0722431 0.0000000), wk = 0.0024752 k( 13) = ( 0.0788107 0.0788107 -0.0000000), wk = 0.0024752 k( 14) = ( 0.0853783 0.0853783 0.0000000), wk = 0.0024752 k( 15) = ( 0.0919458 0.0919458 0.0000000), wk = 0.0024752 k( 16) = ( 0.0985134 0.0985134 -0.0000000), wk = 0.0024752 k( 17) = ( 0.1050809 0.1050809 0.0000000), wk = 0.0024752 k( 18) = ( 0.1116485 0.1116485 -0.0000000), wk = 0.0024752 k( 19) = ( 0.1182161 0.1182160 -0.0000000), wk = 0.0024752 k( 20) = ( 0.1247836 0.1247836 0.0000000), wk = 0.0024752 k( 21) = ( 0.1313512 0.1313512 0.0000000), wk = 0.0024752 k( 22) = ( 0.1379187 0.1379187 -0.0000000), wk = 0.0024752 k( 23) = ( 0.1444863 0.1444863 0.0000000), wk = 0.0024752 k( 24) = ( 0.1510538 0.1510538 0.0000000), wk = 0.0024752 k( 25) = ( 0.1576214 0.1576214 -0.0000000), wk = 0.0024752 k( 26) = ( 0.1641890 0.1641890 0.0000000), wk = 0.0024752 k( 27) = ( 0.1707565 0.1707565 0.0000000), wk = 0.0024752 k( 28) = ( 0.1773241 0.1773241 0.0000000), wk = 0.0024752 k( 29) = ( 0.1838916 0.1838916 0.0000000), wk = 0.0024752 k( 30) = ( 0.1904592 0.1904592 -0.0000000), wk = 0.0024752 k( 31) = ( 0.1970268 0.1970268 0.0000000), wk = 0.0024752 k( 32) = ( 0.2035943 0.2035943 0.0000000), wk = 0.0024752 k( 33) = ( 0.2101619 0.2101619 0.0000000), wk = 0.0024752 k( 34) = ( 0.2167294 0.2167294 0.0000000), wk = 0.0024752 k( 35) = ( 0.2232970 0.2232970 0.0000000), wk = 0.0024752 k( 36) = ( 0.2298646 0.2298646 -0.0000000), wk = 0.0024752 k( 37) = ( 0.2364321 0.2364321 -0.0000000), wk = 0.0024752 k( 38) = ( 0.2429997 0.2429997 0.0000000), wk = 0.0024752 k( 39) = ( 0.2495672 0.2495672 0.0000000), wk = 0.0024752 k( 40) = ( 0.2561348 0.2561348 0.0000000), wk = 0.0024752 k( 41) = ( 0.2627023 0.2627023 0.0000000), wk = 0.0024752 k( 42) = ( 0.2692699 0.2692699 -0.0000000), wk = 0.0024752 k( 43) = ( 0.2758375 0.2758375 -0.0000000), wk = 0.0024752 k( 44) = ( 0.2824050 0.2824050 0.0000000), wk = 0.0024752 k( 45) = ( 0.2824050 0.2824050 0.0000000), wk = 0.0024752 k( 46) = ( 0.2635780 0.2969113 0.0000000), wk = 0.0024752 k( 47) = ( 0.2447510 0.3114177 -0.0000000), wk = 0.0024752 k( 48) = ( 0.2259240 0.3259240 0.0000000), wk = 0.0024752 k( 49) = ( 0.2070970 0.3404303 0.0000000), wk = 0.0024752 k( 50) = ( 0.1882700 0.3549367 0.0000000), wk = 0.0024752 k( 51) = ( 0.1694430 0.3694430 0.0000000), wk = 0.0024752 k( 52) = ( 0.1506160 0.3839493 -0.0000000), wk = 0.0024752 k( 53) = ( 0.1317890 0.3984557 0.0000000), wk = 0.0024752 k( 54) = ( 0.1129620 0.4129620 0.0000000), wk = 0.0024752 k( 55) = ( 0.0941350 0.4274683 0.0000000), wk = 0.0024752 k( 56) = ( 0.0753080 0.4419747 -0.0000000), wk = 0.0024752 k( 57) = ( 0.0564810 0.4564810 0.0000000), wk = 0.0024752 k( 58) = ( 0.0376540 0.4709873 0.0000000), wk = 0.0024752 k( 59) = ( 0.0188270 0.4854937 0.0000000), wk = 0.0024752 k( 60) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024752 k( 61) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0024752 k( 62) = ( 0.0000000 0.5000000 0.0131579), wk = 0.0024752 k( 63) = ( 0.0000000 0.5000000 0.0263158), wk = 0.0024752 k( 64) = ( 0.0000000 0.5000000 0.0394737), wk = 0.0024752 k( 65) = ( 0.0000000 0.5000000 0.0526316), wk = 0.0024752 k( 66) = ( 0.0000000 0.5000000 0.0657895), wk = 0.0024752 k( 67) = ( 0.0000000 0.5000000 0.0789474), wk = 0.0024752 k( 68) = ( 0.0000000 0.5000000 0.0921053), wk = 0.0024752 k( 69) = ( 0.0000000 0.5000000 0.1052632), wk = 0.0024752 k( 70) = ( 0.0000000 0.5000000 0.1184210), wk = 0.0024752 k( 71) = ( 0.0000000 0.5000000 0.1315790), wk = 0.0024752 k( 72) = ( 0.0000000 0.5000000 0.1447368), wk = 0.0024752 k( 73) = ( 0.0000000 0.5000000 0.1578947), wk = 0.0024752 k( 74) = ( 0.0000000 0.5000000 0.1710526), wk = 0.0024752 k( 75) = ( 0.0000000 0.5000000 0.1842105), wk = 0.0024752 k( 76) = ( 0.0000000 0.5000000 0.1973684), wk = 0.0024752 k( 77) = ( 0.0000000 0.5000000 0.2105263), wk = 0.0024752 k( 78) = ( 0.0000000 0.5000000 0.2236842), wk = 0.0024752 k( 79) = ( 0.0000000 0.5000000 0.2368421), wk = 0.0024752 k( 80) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0024752 k( 81) = ( 0.0000000 0.5000000 0.2631579), wk = 0.0024752 k( 82) = ( 0.0000000 0.5000000 0.2763158), wk = 0.0024752 k( 83) = ( 0.0000000 0.5000000 0.2894737), wk = 0.0024752 k( 84) = ( 0.0000000 0.5000000 0.3026316), wk = 0.0024752 k( 85) = ( 0.0000000 0.5000000 0.3157895), wk = 0.0024752 k( 86) = ( 0.0000000 0.5000000 0.3289474), wk = 0.0024752 k( 87) = ( 0.0000000 0.5000000 0.3421053), wk = 0.0024752 k( 88) = ( 0.0000000 0.5000000 0.3552632), wk = 0.0024752 k( 89) = ( 0.0000000 0.5000000 0.3684210), wk = 0.0024752 k( 90) = ( 0.0000000 0.5000000 0.3815789), wk = 0.0024752 k( 91) = ( 0.0000000 0.5000000 0.3947368), wk = 0.0024752 k( 92) = ( 0.0000000 0.5000000 0.4078947), wk = 0.0024752 k( 93) = ( 0.0000000 0.5000000 0.4210526), wk = 0.0024752 k( 94) = ( 0.0000000 0.5000000 0.4342105), wk = 0.0024752 k( 95) = ( 0.0000000 0.5000000 0.4473684), wk = 0.0024752 k( 96) = ( 0.0000000 0.5000000 0.4605263), wk = 0.0024752 k( 97) = ( 0.0000000 0.5000000 0.4736842), wk = 0.0024752 k( 98) = ( 0.0000000 0.5000000 0.4868421), wk = 0.0024752 k( 99) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024752 k( 100) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0024752 k( 101) = ( 0.0188270 0.4854937 0.5000000), wk = 0.0024752 k( 102) = ( 0.0376540 0.4709873 0.5000000), wk = 0.0024752 k( 103) = ( 0.0564810 0.4564810 0.5000000), wk = 0.0024752 k( 104) = ( 0.0753080 0.4419747 0.5000000), wk = 0.0024752 k( 105) = ( 0.0941350 0.4274683 0.5000000), wk = 0.0024752 k( 106) = ( 0.1129620 0.4129620 0.5000000), wk = 0.0024752 k( 107) = ( 0.1317890 0.3984557 0.5000000), wk = 0.0024752 k( 108) = ( 0.1506160 0.3839493 0.5000000), wk = 0.0024752 k( 109) = ( 0.1694430 0.3694430 0.5000000), wk = 0.0024752 k( 110) = ( 0.1882700 0.3549367 0.5000000), wk = 0.0024752 k( 111) = ( 0.2070970 0.3404303 0.5000000), wk = 0.0024752 k( 112) = ( 0.2259240 0.3259240 0.5000000), wk = 0.0024752 k( 113) = ( 0.2447510 0.3114177 0.5000000), wk = 0.0024752 k( 114) = ( 0.2635780 0.2969113 0.5000000), wk = 0.0024752 k( 115) = ( 0.2824050 0.2824050 0.5000000), wk = 0.0024752 k( 116) = ( 0.2824050 0.2824050 0.5000000), wk = 0.0024752 k( 117) = ( 0.2758375 0.2758375 0.5000000), wk = 0.0024752 k( 118) = ( 0.2692699 0.2692699 0.5000000), wk = 0.0024752 k( 119) = ( 0.2627023 0.2627023 0.5000000), wk = 0.0024752 k( 120) = ( 0.2561348 0.2561348 0.5000000), wk = 0.0024752 k( 121) = ( 0.2495672 0.2495672 0.5000000), wk = 0.0024752 k( 122) = ( 0.2429997 0.2429997 0.5000000), wk = 0.0024752 k( 123) = ( 0.2364321 0.2364321 0.5000000), wk = 0.0024752 k( 124) = ( 0.2298646 0.2298646 0.5000000), wk = 0.0024752 k( 125) = ( 0.2232970 0.2232970 0.5000000), wk = 0.0024752 k( 126) = ( 0.2167294 0.2167294 0.5000000), wk = 0.0024752 k( 127) = ( 0.2101619 0.2101619 0.5000000), wk = 0.0024752 k( 128) = ( 0.2035943 0.2035943 0.5000000), wk = 0.0024752 k( 129) = ( 0.1970268 0.1970268 0.5000000), wk = 0.0024752 k( 130) = ( 0.1904592 0.1904592 0.5000000), wk = 0.0024752 k( 131) = ( 0.1838916 0.1838916 0.5000000), wk = 0.0024752 k( 132) = ( 0.1773241 0.1773241 0.5000000), wk = 0.0024752 k( 133) = ( 0.1707565 0.1707565 0.5000000), wk = 0.0024752 k( 134) = ( 0.1641890 0.1641890 0.5000000), wk = 0.0024752 k( 135) = ( 0.1576214 0.1576214 0.5000000), wk = 0.0024752 k( 136) = ( 0.1510538 0.1510538 0.5000000), wk = 0.0024752 k( 137) = ( 0.1444863 0.1444863 0.5000000), wk = 0.0024752 k( 138) = ( 0.1379187 0.1379187 0.5000000), wk = 0.0024752 k( 139) = ( 0.1313512 0.1313512 0.5000000), wk = 0.0024752 k( 140) = ( 0.1247836 0.1247836 0.5000000), wk = 0.0024752 k( 141) = ( 0.1182161 0.1182160 0.5000000), wk = 0.0024752 k( 142) = ( 0.1116485 0.1116485 0.5000000), wk = 0.0024752 k( 143) = ( 0.1050809 0.1050809 0.5000000), wk = 0.0024752 k( 144) = ( 0.0985134 0.0985134 0.5000000), wk = 0.0024752 k( 145) = ( 0.0919458 0.0919458 0.5000000), wk = 0.0024752 k( 146) = ( 0.0853783 0.0853783 0.5000000), wk = 0.0024752 k( 147) = ( 0.0788107 0.0788107 0.5000000), wk = 0.0024752 k( 148) = ( 0.0722431 0.0722431 0.5000000), wk = 0.0024752 k( 149) = ( 0.0656756 0.0656756 0.5000000), wk = 0.0024752 k( 150) = ( 0.0591080 0.0591080 0.5000000), wk = 0.0024752 k( 151) = ( 0.0525405 0.0525405 0.5000000), wk = 0.0024752 k( 152) = ( 0.0459729 0.0459729 0.5000000), wk = 0.0024752 k( 153) = ( 0.0394053 0.0394053 0.5000000), wk = 0.0024752 k( 154) = ( 0.0328378 0.0328378 0.5000000), wk = 0.0024752 k( 155) = ( 0.0262702 0.0262702 0.5000000), wk = 0.0024752 k( 156) = ( 0.0197027 0.0197027 0.5000000), wk = 0.0024752 k( 157) = ( 0.0131351 0.0131351 0.5000000), wk = 0.0024752 k( 158) = ( 0.0065676 0.0065676 0.5000000), wk = 0.0024752 k( 159) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024752 k( 160) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024752 k( 161) = ( 0.0000000 0.0000000 0.4868421), wk = 0.0024752 k( 162) = ( 0.0000000 0.0000000 0.4736842), wk = 0.0024752 k( 163) = ( 0.0000000 0.0000000 0.4605263), wk = 0.0024752 k( 164) = ( 0.0000000 0.0000000 0.4473684), wk = 0.0024752 k( 165) = ( 0.0000000 0.0000000 0.4342105), wk = 0.0024752 k( 166) = ( 0.0000000 0.0000000 0.4210526), wk = 0.0024752 k( 167) = ( 0.0000000 0.0000000 0.4078947), wk = 0.0024752 k( 168) = ( 0.0000000 0.0000000 0.3947368), wk = 0.0024752 k( 169) = ( 0.0000000 0.0000000 0.3815789), wk = 0.0024752 k( 170) = ( 0.0000000 0.0000000 0.3684211), wk = 0.0024752 k( 171) = ( 0.0000000 0.0000000 0.3552632), wk = 0.0024752 k( 172) = ( 0.0000000 0.0000000 0.3421053), wk = 0.0024752 k( 173) = ( 0.0000000 0.0000000 0.3289474), wk = 0.0024752 k( 174) = ( 0.0000000 0.0000000 0.3157895), wk = 0.0024752 k( 175) = ( 0.0000000 0.0000000 0.3026316), wk = 0.0024752 k( 176) = ( 0.0000000 0.0000000 0.2894737), wk = 0.0024752 k( 177) = ( 0.0000000 0.0000000 0.2763158), wk = 0.0024752 k( 178) = ( 0.0000000 0.0000000 0.2631579), wk = 0.0024752 k( 179) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0024752 k( 180) = ( 0.0000000 0.0000000 0.2368421), wk = 0.0024752 k( 181) = ( 0.0000000 0.0000000 0.2236842), wk = 0.0024752 k( 182) = ( 0.0000000 0.0000000 0.2105263), wk = 0.0024752 k( 183) = ( 0.0000000 0.0000000 0.1973684), wk = 0.0024752 k( 184) = ( 0.0000000 0.0000000 0.1842105), wk = 0.0024752 k( 185) = ( 0.0000000 0.0000000 0.1710526), wk = 0.0024752 k( 186) = ( 0.0000000 0.0000000 0.1578947), wk = 0.0024752 k( 187) = ( 0.0000000 0.0000000 0.1447368), wk = 0.0024752 k( 188) = ( 0.0000000 0.0000000 0.1315790), wk = 0.0024752 k( 189) = ( 0.0000000 0.0000000 0.1184210), wk = 0.0024752 k( 190) = ( 0.0000000 0.0000000 0.1052632), wk = 0.0024752 k( 191) = ( 0.0000000 0.0000000 0.0921053), wk = 0.0024752 k( 192) = ( 0.0000000 0.0000000 0.0789474), wk = 0.0024752 k( 193) = ( 0.0000000 0.0000000 0.0657895), wk = 0.0024752 k( 194) = ( 0.0000000 0.0000000 0.0526316), wk = 0.0024752 k( 195) = ( 0.0000000 0.0000000 0.0394737), wk = 0.0024752 k( 196) = ( 0.0000000 0.0000000 0.0263158), wk = 0.0024752 k( 197) = ( 0.0000000 0.0000000 0.0131579), wk = 0.0024752 k( 198) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 199) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0024752 k( 200) = ( -0.0178571 0.0178571 0.0000000), wk = 0.0024752 k( 201) = ( -0.0357143 0.0357143 0.0000000), wk = 0.0024752 k( 202) = ( -0.0535714 0.0535714 0.0000000), wk = 0.0024752 k( 203) = ( -0.0714286 0.0714286 -0.0000000), wk = 0.0024752 k( 204) = ( -0.0892857 0.0892857 0.0000000), wk = 0.0024752 k( 205) = ( -0.1071429 0.1071429 0.0000000), wk = 0.0024752 k( 206) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0024752 k( 207) = ( -0.1428571 0.1428571 -0.0000000), wk = 0.0024752 k( 208) = ( -0.1607143 0.1607143 0.0000000), wk = 0.0024752 k( 209) = ( -0.1785714 0.1785714 0.0000000), wk = 0.0024752 k( 210) = ( -0.1964286 0.1964286 -0.0000000), wk = 0.0024752 k( 211) = ( -0.2142857 0.2142857 0.0000000), wk = 0.0024752 k( 212) = ( -0.2321429 0.2321429 0.0000000), wk = 0.0024752 k( 213) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0024752 k( 214) = ( -0.2678571 0.2678571 0.0000000), wk = 0.0024752 k( 215) = ( -0.2857143 0.2857143 -0.0000000), wk = 0.0024752 k( 216) = ( -0.3035714 0.3035714 0.0000000), wk = 0.0024752 k( 217) = ( -0.3214286 0.3214286 0.0000000), wk = 0.0024752 k( 218) = ( -0.3392857 0.3392857 0.0000000), wk = 0.0024752 k( 219) = ( -0.3571429 0.3571429 0.0000000), wk = 0.0024752 k( 220) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0024752 k( 221) = ( -0.3928571 0.3928571 -0.0000000), wk = 0.0024752 k( 222) = ( -0.4107143 0.4107143 0.0000000), wk = 0.0024752 k( 223) = ( -0.4285714 0.4285714 0.0000000), wk = 0.0024752 k( 224) = ( -0.4464286 0.4464286 0.0000000), wk = 0.0024752 k( 225) = ( -0.4642857 0.4642857 0.0000000), wk = 0.0024752 k( 226) = ( -0.4821429 0.4821429 0.0000000), wk = 0.0024752 k( 227) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024752 k( 228) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024752 k( 229) = ( -0.4936002 0.5063998 0.0000000), wk = 0.0024752 k( 230) = ( -0.4872003 0.5127997 0.0000000), wk = 0.0024752 k( 231) = ( -0.4808004 0.5191996 0.0000000), wk = 0.0024752 k( 232) = ( -0.4744006 0.5255994 0.0000000), wk = 0.0024752 k( 233) = ( -0.4680007 0.5319993 -0.0000000), wk = 0.0024752 k( 234) = ( -0.4616009 0.5383991 0.0000000), wk = 0.0024752 k( 235) = ( -0.4552010 0.5447990 0.0000000), wk = 0.0024752 k( 236) = ( -0.4488012 0.5511988 0.0000000), wk = 0.0024752 k( 237) = ( -0.4424013 0.5575987 0.0000000), wk = 0.0024752 k( 238) = ( -0.4360015 0.5639985 0.0000000), wk = 0.0024752 k( 239) = ( -0.4296016 0.5703984 0.0000000), wk = 0.0024752 k( 240) = ( -0.4232018 0.5767982 0.0000000), wk = 0.0024752 k( 241) = ( -0.4168019 0.5831981 0.0000000), wk = 0.0024752 k( 242) = ( -0.4104021 0.5895979 0.0000000), wk = 0.0024752 k( 243) = ( -0.4040022 0.5959978 0.0000000), wk = 0.0024752 k( 244) = ( -0.3976024 0.6023976 0.0000000), wk = 0.0024752 k( 245) = ( -0.3912025 0.6087975 0.0000000), wk = 0.0024752 k( 246) = ( -0.3848027 0.6151974 0.0000000), wk = 0.0024752 k( 247) = ( -0.3784028 0.6215972 0.0000000), wk = 0.0024752 k( 248) = ( -0.3720029 0.6279971 0.0000000), wk = 0.0024752 k( 249) = ( -0.3656031 0.6343969 0.0000000), wk = 0.0024752 k( 250) = ( -0.3592032 0.6407968 0.0000000), wk = 0.0024752 k( 251) = ( -0.3528034 0.6471966 0.0000000), wk = 0.0024752 k( 252) = ( -0.3464035 0.6535965 0.0000000), wk = 0.0024752 k( 253) = ( -0.3400037 0.6599963 0.0000000), wk = 0.0024752 k( 254) = ( -0.3336038 0.6663962 -0.0000000), wk = 0.0024752 k( 255) = ( -0.3272040 0.6727960 0.0000000), wk = 0.0024752 k( 256) = ( -0.3208041 0.6791959 0.0000000), wk = 0.0024752 k( 257) = ( -0.3144043 0.6855957 0.0000000), wk = 0.0024752 k( 258) = ( -0.3080044 0.6919956 0.0000000), wk = 0.0024752 k( 259) = ( -0.3016046 0.6983954 -0.0000000), wk = 0.0024752 k( 260) = ( -0.2952047 0.7047953 0.0000000), wk = 0.0024752 k( 261) = ( -0.2888049 0.7111951 0.0000000), wk = 0.0024752 k( 262) = ( -0.2824050 0.7175950 0.0000000), wk = 0.0024752 k( 263) = ( -0.2824050 0.7175950 0.0000000), wk = 0.0024752 k( 264) = ( -0.2824050 0.7175950 0.0131579), wk = 0.0024752 k( 265) = ( -0.2824050 0.7175950 0.0263158), wk = 0.0024752 k( 266) = ( -0.2824050 0.7175950 0.0394737), wk = 0.0024752 k( 267) = ( -0.2824050 0.7175950 0.0526316), wk = 0.0024752 k( 268) = ( -0.2824050 0.7175950 0.0657895), wk = 0.0024752 k( 269) = ( -0.2824050 0.7175950 0.0789474), wk = 0.0024752 k( 270) = ( -0.2824050 0.7175950 0.0921053), wk = 0.0024752 k( 271) = ( -0.2824050 0.7175950 0.1052632), wk = 0.0024752 k( 272) = ( -0.2824050 0.7175950 0.1184210), wk = 0.0024752 k( 273) = ( -0.2824050 0.7175950 0.1315790), wk = 0.0024752 k( 274) = ( -0.2824050 0.7175950 0.1447368), wk = 0.0024752 k( 275) = ( -0.2824050 0.7175950 0.1578947), wk = 0.0024752 k( 276) = ( -0.2824050 0.7175950 0.1710526), wk = 0.0024752 k( 277) = ( -0.2824050 0.7175950 0.1842105), wk = 0.0024752 k( 278) = ( -0.2824050 0.7175950 0.1973684), wk = 0.0024752 k( 279) = ( -0.2824050 0.7175950 0.2105263), wk = 0.0024752 k( 280) = ( -0.2824050 0.7175950 0.2236842), wk = 0.0024752 k( 281) = ( -0.2824050 0.7175950 0.2368421), wk = 0.0024752 k( 282) = ( -0.2824050 0.7175950 0.2500000), wk = 0.0024752 k( 283) = ( -0.2824050 0.7175950 0.2631579), wk = 0.0024752 k( 284) = ( -0.2824050 0.7175950 0.2763158), wk = 0.0024752 k( 285) = ( -0.2824050 0.7175950 0.2894737), wk = 0.0024752 k( 286) = ( -0.2824050 0.7175950 0.3026316), wk = 0.0024752 k( 287) = ( -0.2824050 0.7175950 0.3157895), wk = 0.0024752 k( 288) = ( -0.2824050 0.7175950 0.3289474), wk = 0.0024752 k( 289) = ( -0.2824050 0.7175950 0.3421053), wk = 0.0024752 k( 290) = ( -0.2824050 0.7175950 0.3552632), wk = 0.0024752 k( 291) = ( -0.2824050 0.7175950 0.3684211), wk = 0.0024752 k( 292) = ( -0.2824050 0.7175950 0.3815789), wk = 0.0024752 k( 293) = ( -0.2824050 0.7175950 0.3947368), wk = 0.0024752 k( 294) = ( -0.2824050 0.7175950 0.4078947), wk = 0.0024752 k( 295) = ( -0.2824050 0.7175950 0.4210526), wk = 0.0024752 k( 296) = ( -0.2824050 0.7175950 0.4342105), wk = 0.0024752 k( 297) = ( -0.2824050 0.7175950 0.4473684), wk = 0.0024752 k( 298) = ( -0.2824050 0.7175950 0.4605263), wk = 0.0024752 k( 299) = ( -0.2824050 0.7175950 0.4736842), wk = 0.0024752 k( 300) = ( -0.2824050 0.7175950 0.4868421), wk = 0.0024752 k( 301) = ( -0.2824050 0.7175950 0.5000000), wk = 0.0024752 k( 302) = ( -0.2824050 0.7175950 0.5000000), wk = 0.0024752 k( 303) = ( -0.2888049 0.7111951 0.5000000), wk = 0.0024752 k( 304) = ( -0.2952047 0.7047953 0.5000000), wk = 0.0024752 k( 305) = ( -0.3016046 0.6983954 0.5000000), wk = 0.0024752 k( 306) = ( -0.3080044 0.6919956 0.5000000), wk = 0.0024752 k( 307) = ( -0.3144043 0.6855957 0.5000000), wk = 0.0024752 k( 308) = ( -0.3208041 0.6791959 0.5000000), wk = 0.0024752 k( 309) = ( -0.3272040 0.6727960 0.5000000), wk = 0.0024752 k( 310) = ( -0.3336038 0.6663962 0.5000000), wk = 0.0024752 k( 311) = ( -0.3400037 0.6599963 0.5000000), wk = 0.0024752 k( 312) = ( -0.3464035 0.6535965 0.5000000), wk = 0.0024752 k( 313) = ( -0.3528034 0.6471966 0.5000000), wk = 0.0024752 k( 314) = ( -0.3592032 0.6407968 0.5000000), wk = 0.0024752 k( 315) = ( -0.3656031 0.6343969 0.5000000), wk = 0.0024752 k( 316) = ( -0.3720029 0.6279971 0.5000000), wk = 0.0024752 k( 317) = ( -0.3784028 0.6215972 0.5000000), wk = 0.0024752 k( 318) = ( -0.3848027 0.6151974 0.5000000), wk = 0.0024752 k( 319) = ( -0.3912025 0.6087975 0.5000000), wk = 0.0024752 k( 320) = ( -0.3976024 0.6023976 0.5000000), wk = 0.0024752 k( 321) = ( -0.4040022 0.5959978 0.5000000), wk = 0.0024752 k( 322) = ( -0.4104021 0.5895979 0.5000000), wk = 0.0024752 k( 323) = ( -0.4168019 0.5831981 0.5000000), wk = 0.0024752 k( 324) = ( -0.4232018 0.5767982 0.5000000), wk = 0.0024752 k( 325) = ( -0.4296016 0.5703984 0.5000000), wk = 0.0024752 k( 326) = ( -0.4360015 0.5639985 0.5000000), wk = 0.0024752 k( 327) = ( -0.4424013 0.5575987 0.5000000), wk = 0.0024752 k( 328) = ( -0.4488012 0.5511988 0.5000000), wk = 0.0024752 k( 329) = ( -0.4552010 0.5447990 0.5000000), wk = 0.0024752 k( 330) = ( -0.4616009 0.5383991 0.5000000), wk = 0.0024752 k( 331) = ( -0.4680007 0.5319993 0.5000000), wk = 0.0024752 k( 332) = ( -0.4744006 0.5255994 0.5000000), wk = 0.0024752 k( 333) = ( -0.4808004 0.5191996 0.5000000), wk = 0.0024752 k( 334) = ( -0.4872003 0.5127997 0.5000000), wk = 0.0024752 k( 335) = ( -0.4936002 0.5063998 0.5000000), wk = 0.0024752 k( 336) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024752 k( 337) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024752 k( 338) = ( -0.5000000 0.5000000 0.4868421), wk = 0.0024752 k( 339) = ( -0.5000000 0.5000000 0.4736842), wk = 0.0024752 k( 340) = ( -0.5000000 0.5000000 0.4605263), wk = 0.0024752 k( 341) = ( -0.5000000 0.5000000 0.4473684), wk = 0.0024752 k( 342) = ( -0.5000000 0.5000000 0.4342105), wk = 0.0024752 k( 343) = ( -0.5000000 0.5000000 0.4210526), wk = 0.0024752 k( 344) = ( -0.5000000 0.5000000 0.4078947), wk = 0.0024752 k( 345) = ( -0.5000000 0.5000000 0.3947368), wk = 0.0024752 k( 346) = ( -0.5000000 0.5000000 0.3815789), wk = 0.0024752 k( 347) = ( -0.5000000 0.5000000 0.3684211), wk = 0.0024752 k( 348) = ( -0.5000000 0.5000000 0.3552632), wk = 0.0024752 k( 349) = ( -0.5000000 0.5000000 0.3421053), wk = 0.0024752 k( 350) = ( -0.5000000 0.5000000 0.3289474), wk = 0.0024752 k( 351) = ( -0.5000000 0.5000000 0.3157895), wk = 0.0024752 k( 352) = ( -0.5000000 0.5000000 0.3026316), wk = 0.0024752 k( 353) = ( -0.5000000 0.5000000 0.2894737), wk = 0.0024752 k( 354) = ( -0.5000000 0.5000000 0.2763158), wk = 0.0024752 k( 355) = ( -0.5000000 0.5000000 0.2631579), wk = 0.0024752 k( 356) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0024752 k( 357) = ( -0.5000000 0.5000000 0.2368421), wk = 0.0024752 k( 358) = ( -0.5000000 0.5000000 0.2236842), wk = 0.0024752 k( 359) = ( -0.5000000 0.5000000 0.2105263), wk = 0.0024752 k( 360) = ( -0.5000000 0.5000000 0.1973684), wk = 0.0024752 k( 361) = ( -0.5000000 0.5000000 0.1842105), wk = 0.0024752 k( 362) = ( -0.5000000 0.5000000 0.1710526), wk = 0.0024752 k( 363) = ( -0.5000000 0.5000000 0.1578947), wk = 0.0024752 k( 364) = ( -0.5000000 0.5000000 0.1447368), wk = 0.0024752 k( 365) = ( -0.5000000 0.5000000 0.1315790), wk = 0.0024752 k( 366) = ( -0.5000000 0.5000000 0.1184210), wk = 0.0024752 k( 367) = ( -0.5000000 0.5000000 0.1052632), wk = 0.0024752 k( 368) = ( -0.5000000 0.5000000 0.0921053), wk = 0.0024752 k( 369) = ( -0.5000000 0.5000000 0.0789474), wk = 0.0024752 k( 370) = ( -0.5000000 0.5000000 0.0657895), wk = 0.0024752 k( 371) = ( -0.5000000 0.5000000 0.0526316), wk = 0.0024752 k( 372) = ( -0.5000000 0.5000000 0.0394737), wk = 0.0024752 k( 373) = ( -0.5000000 0.5000000 0.0263158), wk = 0.0024752 k( 374) = ( -0.5000000 0.5000000 0.0131579), wk = 0.0024752 k( 375) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0024752 k( 376) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0024752 k( 377) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0024752 k( 378) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0024752 k( 379) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0024752 k( 380) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0024752 k( 381) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0024752 k( 382) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0024752 k( 383) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0024752 k( 384) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0024752 k( 385) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0024752 k( 386) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0024752 k( 387) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0024752 k( 388) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0024752 k( 389) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0024752 k( 390) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0024752 k( 391) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0024752 k( 392) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0024752 k( 393) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0024752 k( 394) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0024752 k( 395) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0024752 k( 396) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0024752 k( 397) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0024752 k( 398) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0024752 k( 399) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0024752 k( 400) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0024752 k( 401) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0024752 k( 402) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0024752 k( 403) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0024752 k( 404) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0024752 Dense grid: 44555 G-vectors FFT dimensions: ( 60, 60, 40) Smooth grid: 30073 G-vectors FFT dimensions: ( 54, 54, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.17 Mb ( 226, 48) NL pseudopotentials 0.23 Mb ( 113, 136) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1239) G-vector shells 0.00 Mb ( 643) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.66 Mb ( 226, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.20 Mb ( 136, 2, 48) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./SnS.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 3.5 secs Computing kpt #: 3 total cpu time spent up to now is 3.9 secs Computing kpt #: 4 total cpu time spent up to now is 4.4 secs Computing kpt #: 5 total cpu time spent up to now is 4.8 secs Computing kpt #: 6 total cpu time spent up to now is 5.2 secs Computing kpt #: 7 total cpu time spent up to now is 5.6 secs Computing kpt #: 8 total cpu time spent up to now is 6.0 secs Computing kpt #: 9 total cpu time spent up to now is 6.3 secs Computing kpt #: 10 total cpu time spent up to now is 6.7 secs Computing kpt #: 11 total cpu time spent up to now is 7.0 secs Computing kpt #: 12 total cpu time spent up to now is 7.4 secs Computing kpt #: 13 total cpu time spent up to now is 7.7 secs Computing kpt #: 14 total cpu time spent up to now is 8.1 secs Computing kpt #: 15 total cpu time spent up to now is 8.5 secs Computing kpt #: 16 total cpu time spent up to now is 8.9 secs Computing kpt #: 17 total cpu time spent up to now is 9.2 secs Computing kpt #: 18 total cpu time spent up to now is 9.6 secs Computing kpt #: 19 total cpu time spent up to now is 9.9 secs Computing kpt #: 20 total cpu time spent up to now is 10.3 secs Computing kpt #: 21 total cpu time spent up to now is 10.6 secs Computing kpt #: 22 total cpu time spent up to now is 11.0 secs Computing kpt #: 23 total cpu time spent up to now is 11.3 secs Computing kpt #: 24 total cpu time spent up to now is 11.6 secs Computing kpt #: 25 total cpu time spent up to now is 12.0 secs Computing kpt #: 26 total cpu time spent up to now is 12.3 secs Computing kpt #: 27 total cpu time spent up to now is 12.6 secs Computing kpt #: 28 total cpu time spent up to now is 13.0 secs Computing kpt #: 29 total cpu time spent up to now is 13.3 secs Computing kpt #: 30 total cpu time spent up to now is 13.6 secs Computing kpt #: 31 total cpu time spent up to now is 13.9 secs Computing kpt #: 32 total cpu time 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kpt #: 48 total cpu time spent up to now is 19.1 secs Computing kpt #: 49 total cpu time spent up to now is 19.4 secs Computing kpt #: 50 total cpu time spent up to now is 19.7 secs Computing kpt #: 51 total cpu time spent up to now is 20.0 secs Computing kpt #: 52 total cpu time spent up to now is 20.4 secs Computing kpt #: 53 total cpu time spent up to now is 20.7 secs Computing kpt #: 54 total cpu time spent up to now is 21.0 secs Computing kpt #: 55 total cpu time spent up to now is 21.3 secs Computing kpt #: 56 total cpu time spent up to now is 21.6 secs Computing kpt #: 57 total cpu time spent up to now is 21.9 secs Computing kpt #: 58 total cpu time spent up to now is 22.2 secs Computing kpt #: 59 total cpu time spent up to now is 22.5 secs Computing kpt #: 60 total cpu time spent up to now is 22.8 secs Computing kpt #: 61 total cpu time spent up to now is 23.1 secs Computing kpt #: 62 total cpu time spent up to now is 23.5 secs Computing kpt #: 63 total cpu time spent up to now is 23.8 secs Computing kpt #: 64 total cpu time spent up to now is 24.1 secs Computing kpt #: 65 total cpu time spent up to now is 24.5 secs Computing kpt #: 66 total cpu time spent up to now is 24.8 secs Computing kpt #: 67 total cpu time spent up to now is 25.1 secs Computing kpt #: 68 total cpu time spent up to now is 25.4 secs Computing kpt #: 69 total cpu time spent up to now is 25.7 secs Computing kpt #: 70 total cpu time spent up to now is 26.1 secs Computing kpt #: 71 total cpu time spent up to now is 26.4 secs Computing kpt #: 72 total cpu time spent up to now is 26.7 secs Computing kpt #: 73 total cpu time spent up to now is 27.0 secs Computing kpt #: 74 total cpu time spent up to now is 27.3 secs Computing kpt #: 75 total cpu time spent up to now is 27.6 secs Computing kpt #: 76 total cpu time spent up to now is 27.9 secs Computing kpt #: 77 total cpu time spent up to now is 28.2 secs Computing kpt #: 78 total cpu time spent up to now is 28.5 secs Computing kpt #: 79 total cpu time spent up to now is 28.8 secs Computing kpt #: 80 total cpu time spent up to now is 29.1 secs Computing kpt #: 81 total cpu time spent up to now is 29.4 secs Computing kpt #: 82 total cpu time spent up to now is 29.7 secs Computing kpt #: 83 total cpu time spent up to now is 30.0 secs Computing kpt #: 84 total cpu time spent up to now is 30.3 secs Computing kpt #: 85 total cpu time spent up to now is 30.6 secs Computing kpt #: 86 total cpu time spent up to now is 30.9 secs Computing kpt #: 87 total cpu time spent up to now is 31.2 secs Computing kpt #: 88 total cpu time spent up to now is 31.5 secs Computing kpt #: 89 total cpu time spent up to now is 31.8 secs Computing kpt #: 90 total cpu time spent up to now is 32.1 secs Computing kpt #: 91 total cpu time spent up to now is 32.4 secs Computing kpt #: 92 total cpu time spent up to now is 32.7 secs Computing kpt #: 93 total cpu time spent up to now is 33.1 secs Computing kpt #: 94 total cpu time spent up to now is 33.4 secs 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total cpu time spent up to now is 64.7 secs Computing kpt #: 188 total cpu time spent up to now is 65.0 secs Computing kpt #: 189 total cpu time spent up to now is 65.4 secs Computing kpt #: 190 total cpu time spent up to now is 65.8 secs Computing kpt #: 191 total cpu time spent up to now is 66.2 secs Computing kpt #: 192 total cpu time spent up to now is 66.6 secs Computing kpt #: 193 total cpu time spent up to now is 67.1 secs Computing kpt #: 194 total cpu time spent up to now is 67.5 secs Computing kpt #: 195 total cpu time spent up to now is 67.9 secs Computing kpt #: 196 total cpu time spent up to now is 68.4 secs Computing kpt #: 197 total cpu time spent up to now is 68.8 secs Computing kpt #: 198 total cpu time spent up to now is 69.2 secs Computing kpt #: 199 total cpu time spent up to now is 69.6 secs Computing kpt #: 200 total cpu time spent up to now is 70.0 secs Computing kpt #: 201 total cpu time spent up to now is 70.4 secs Computing kpt #: 202 total cpu time spent up 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total cpu time spent up to now is 82.4 secs Computing kpt #: 234 total cpu time spent up to now is 82.8 secs Computing kpt #: 235 total cpu time spent up to now is 83.1 secs Computing kpt #: 236 total cpu time spent up to now is 83.5 secs Computing kpt #: 237 total cpu time spent up to now is 83.8 secs Computing kpt #: 238 total cpu time spent up to now is 84.1 secs Computing kpt #: 239 total cpu time spent up to now is 84.4 secs Computing kpt #: 240 total cpu time spent up to now is 84.7 secs Computing kpt #: 241 total cpu time spent up to now is 85.1 secs Computing kpt #: 242 total cpu time spent up to now is 85.4 secs Computing kpt #: 243 total cpu time spent up to now is 85.7 secs Computing kpt #: 244 total cpu time spent up to now is 86.0 secs Computing kpt #: 245 total cpu time spent up to now is 86.3 secs Computing kpt #: 246 total cpu time spent up to now is 86.6 secs Computing kpt #: 247 total cpu time spent up to now is 86.9 secs Computing kpt #: 248 total cpu time spent up to now is 87.2 secs Computing kpt #: 249 total cpu time spent up to now is 87.5 secs Computing kpt #: 250 total cpu time spent up to now is 87.9 secs Computing kpt #: 251 total cpu time spent up to now is 88.2 secs Computing kpt #: 252 total cpu time spent up to now is 88.5 secs Computing kpt #: 253 total cpu time spent up to now is 88.8 secs Computing kpt #: 254 total cpu time spent up to now is 89.1 secs Computing kpt #: 255 total cpu time spent up to now is 89.4 secs Computing kpt #: 256 total cpu time spent up to now is 89.7 secs Computing kpt #: 257 total cpu time spent up to now is 90.0 secs Computing kpt #: 258 total cpu time spent up to now is 90.3 secs Computing kpt #: 259 total cpu time spent up to now is 90.6 secs Computing kpt #: 260 total cpu time spent up to now is 90.9 secs Computing kpt #: 261 total cpu time spent up to now is 91.3 secs Computing kpt #: 262 total cpu time spent up to now is 91.6 secs Computing kpt #: 263 total cpu time spent up to now is 91.9 secs Computing kpt #: 264 total cpu time spent up to now is 92.2 secs Computing kpt #: 265 total cpu time spent up to now is 92.5 secs Computing kpt #: 266 total cpu time spent up to now is 92.9 secs Computing kpt #: 267 total cpu time spent up to now is 93.2 secs Computing kpt #: 268 total cpu time spent up to now is 93.5 secs Computing kpt #: 269 total cpu time spent up to now is 93.8 secs Computing kpt #: 270 total cpu time spent up to now is 94.2 secs Computing kpt #: 271 total cpu time spent up to now is 94.5 secs Computing kpt #: 272 total cpu time spent up to now is 94.8 secs Computing kpt #: 273 total cpu time spent up to now is 95.1 secs Computing kpt #: 274 total cpu time spent up to now is 95.5 secs Computing kpt #: 275 total cpu time spent up to now is 95.8 secs Computing kpt #: 276 total cpu time spent up to now is 96.1 secs Computing kpt #: 277 total cpu time spent up to now is 96.4 secs Computing kpt #: 278 total cpu time spent up to now is 96.8 secs Computing kpt #: 279 total cpu time spent up to now is 97.1 secs Computing kpt #: 280 total cpu time spent up to now is 97.4 secs Computing kpt #: 281 total cpu time spent up to now is 97.7 secs Computing kpt #: 282 total cpu time spent up to now is 98.0 secs Computing kpt #: 283 total cpu time spent up to now is 98.3 secs Computing kpt #: 284 total cpu time spent up to now is 98.7 secs Computing kpt #: 285 total cpu time spent up to now is 99.0 secs Computing kpt #: 286 total cpu time spent up to now is 99.3 secs Computing kpt #: 287 total cpu time spent up to now is 99.6 secs Computing kpt #: 288 total cpu time spent up to now is 99.9 secs Computing kpt #: 289 total cpu time spent up to now is 100.2 secs Computing kpt #: 290 total cpu time spent up to now is 100.5 secs Computing kpt #: 291 total cpu time spent up to now is 100.8 secs Computing kpt #: 292 total cpu time spent up to now is 101.2 secs Computing kpt #: 293 total cpu time spent up to now is 101.5 secs Computing kpt #: 294 total cpu time spent up to now is 101.8 secs Computing kpt #: 295 total cpu time spent up to now is 102.1 secs Computing kpt #: 296 total cpu time spent up to now is 102.5 secs Computing kpt #: 297 total cpu time spent up to now is 102.8 secs Computing kpt #: 298 total cpu time spent up to now is 103.1 secs Computing kpt #: 299 total cpu time spent up to now is 103.5 secs Computing kpt #: 300 total cpu time spent up to now is 103.8 secs Computing kpt #: 301 total cpu time spent up to now is 104.1 secs Computing kpt #: 302 total cpu time spent up to now is 104.5 secs Computing kpt #: 303 total cpu time spent up to now is 104.8 secs Computing kpt #: 304 total cpu time spent up to now is 105.1 secs Computing kpt #: 305 total cpu time spent up to now is 105.5 secs Computing kpt #: 306 total cpu time spent up to now is 105.8 secs Computing kpt #: 307 total cpu time spent up to now is 106.2 secs Computing kpt #: 308 total cpu time spent up to now is 106.5 secs Computing kpt #: 309 total cpu time spent up to now is 106.8 secs Computing kpt #: 310 total cpu time spent up to now is 107.5 secs Computing kpt #: 311 total cpu time spent up to now is 107.8 secs Computing kpt #: 312 total cpu time spent up to now is 108.2 secs Computing kpt #: 313 total cpu time spent up to now is 108.5 secs Computing kpt #: 314 total cpu time spent up to now is 108.9 secs Computing kpt #: 315 total cpu time spent up to now is 109.2 secs Computing kpt #: 316 total cpu time spent up to now is 109.6 secs Computing kpt #: 317 total cpu time spent up to now is 109.9 secs Computing kpt #: 318 total cpu time spent up to now is 110.3 secs Computing kpt #: 319 total cpu time spent up to now is 110.7 secs Computing kpt #: 320 total cpu time spent up to now is 111.0 secs Computing kpt #: 321 total cpu time spent up to now is 111.4 secs Computing kpt #: 322 total cpu time spent up to now is 111.7 secs Computing kpt #: 323 total cpu time spent up to now is 112.1 secs Computing kpt #: 324 total cpu time spent up to now is 112.4 secs Computing kpt #: 325 total cpu time spent up to now is 112.8 secs Computing kpt #: 326 total cpu time spent up to now is 113.1 secs Computing kpt #: 327 total cpu time spent up to now is 113.5 secs Computing kpt #: 328 total cpu time spent up to now is 113.8 secs Computing kpt #: 329 total cpu time spent up to now is 114.2 secs Computing kpt #: 330 total cpu time spent up to now is 114.5 secs Computing kpt #: 331 total cpu time spent up to now is 114.9 secs Computing kpt #: 332 total cpu time spent up to now is 115.2 secs Computing kpt #: 333 total cpu time spent up to now is 115.6 secs Computing kpt #: 334 total cpu time spent up to now is 116.0 secs Computing kpt #: 335 total cpu time spent up to now is 116.3 secs Computing kpt #: 336 total cpu time spent up to now is 116.7 secs Computing kpt #: 337 total cpu time spent up to now is 117.0 secs Computing kpt #: 338 total cpu time spent up to now is 117.4 secs Computing kpt #: 339 total cpu time spent up to now is 117.7 secs Computing kpt #: 340 total cpu time spent up to now is 118.1 secs Computing kpt #: 341 total cpu time spent up to now is 118.4 secs Computing kpt #: 342 total cpu time spent up to now is 118.7 secs Computing kpt #: 343 total cpu time spent up to now is 119.1 secs Computing kpt #: 344 total cpu time spent up to now is 119.4 secs Computing kpt #: 345 total cpu time spent up to now is 119.7 secs Computing kpt #: 346 total cpu time spent up to now is 120.1 secs Computing kpt #: 347 total cpu time spent up to now is 120.4 secs Computing kpt #: 348 total cpu time spent up to now is 120.7 secs Computing kpt #: 349 total cpu time spent up to now is 121.0 secs Computing kpt #: 350 total cpu time spent up to now is 121.4 secs Computing kpt #: 351 total cpu time spent up to now is 121.7 secs Computing kpt #: 352 total cpu time spent up to now is 122.0 secs Computing kpt #: 353 total cpu time spent up to now is 122.4 secs Computing kpt #: 354 total cpu time spent up to now is 122.7 secs Computing kpt #: 355 total cpu time spent up to now is 123.0 secs Computing kpt #: 356 total cpu time spent up to now is 123.5 secs Computing kpt #: 357 total cpu time spent up to now is 123.9 secs Computing kpt #: 358 total cpu time spent up to now is 124.3 secs Computing kpt #: 359 total cpu time spent up to now is 124.8 secs Computing kpt #: 360 total cpu time spent up to now is 125.2 secs Computing kpt #: 361 total cpu time spent up to now is 125.6 secs Computing kpt #: 362 total cpu time spent up to now is 126.0 secs Computing kpt #: 363 total cpu time spent up to now is 126.5 secs Computing kpt #: 364 total cpu time spent up to now is 126.9 secs Computing kpt #: 365 total cpu time spent up to now is 127.3 secs Computing kpt #: 366 total cpu time spent up to now is 127.8 secs Computing kpt #: 367 total cpu time spent up to now is 128.2 secs Computing kpt #: 368 total cpu time spent up to now is 128.6 secs Computing kpt #: 369 total cpu time spent up to now is 129.0 secs Computing kpt #: 370 total cpu time spent up to now is 129.4 secs Computing kpt #: 371 total cpu time spent up to now is 129.9 secs Computing kpt #: 372 total cpu time spent up to now is 130.3 secs Computing kpt #: 373 total cpu time spent up to now is 130.8 secs Computing kpt #: 374 total cpu time spent up to now is 131.2 secs Computing kpt #: 375 total cpu time spent up to now is 131.6 secs Computing kpt #: 376 total cpu time spent up to now is 131.9 secs Computing kpt #: 377 total cpu time spent up to now is 132.3 secs Computing kpt #: 378 total cpu time spent up to now is 132.6 secs Computing kpt #: 379 total cpu time spent up to now is 132.9 secs Computing kpt #: 380 total cpu time spent up to now is 133.2 secs Computing kpt #: 381 total cpu time spent up to now is 133.6 secs Computing kpt #: 382 total cpu time spent up to now is 133.9 secs Computing kpt #: 383 total cpu time spent up to now is 134.2 secs Computing kpt #: 384 total cpu time spent up to now is 134.5 secs Computing kpt #: 385 total cpu time spent up to now is 134.8 secs Computing kpt #: 386 total cpu time spent up to now is 135.2 secs Computing kpt #: 387 total cpu time spent up to now is 135.5 secs Computing kpt #: 388 total cpu time spent up to now is 135.8 secs Computing kpt #: 389 total cpu time spent up to now is 136.1 secs Computing kpt #: 390 total cpu time spent up to now is 136.5 secs Computing kpt #: 391 total cpu time spent up to now is 136.8 secs Computing kpt #: 392 total cpu time spent up to now is 137.1 secs Computing kpt #: 393 total cpu time spent up to now is 137.5 secs Computing kpt #: 394 total cpu time spent up to now is 137.8 secs Computing kpt #: 395 total cpu time spent up to now is 138.2 secs Computing kpt #: 396 total cpu time spent up to now is 138.5 secs Computing kpt #: 397 total cpu time spent up to now is 138.9 secs Computing kpt #: 398 total cpu time spent up to now is 139.2 secs Computing kpt #: 399 total cpu time spent up to now is 139.6 secs Computing kpt #: 400 total cpu time spent up to now is 139.9 secs Computing kpt #: 401 total cpu time spent up to now is 140.3 secs Computing kpt #: 402 total cpu time spent up to now is 140.6 secs Computing kpt #: 403 total cpu time spent up to now is 141.0 secs Computing kpt #: 404 total cpu time spent up to now is 141.3 secs ethr = 2.50E-08, avg # of iterations = 15.8 total cpu time spent up to now is 141.3 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3791 PWs) bands (ev): -14.5953 -14.5953 -14.5648 -14.5648 -14.0676 -14.0676 -14.0502 -14.0502 -13.5018 -13.5018 -13.4885 -13.4885 -13.1296 -13.1296 -13.1003 -13.1003 -12.9925 -12.9925 -12.9834 -12.9834 -6.8920 -6.8920 -5.4796 -5.4796 1.0025 1.0025 1.8195 1.8195 1.9333 1.9333 3.9701 3.9701 4.2005 4.2005 4.9692 4.9692 5.5139 5.5139 5.9283 5.9283 11.0458 11.0458 11.9195 11.9195 12.0796 12.0796 13.2255 13.2255 k = 0.0066 0.0182-0.0000 ( 3795 PWs) bands (ev): -14.5953 -14.5953 -14.5648 -14.5648 -14.0676 -14.0676 -14.0502 -14.0502 -13.5018 -13.5018 -13.4885 -13.4885 -13.1296 -13.1296 -13.1003 -13.1003 -12.9925 -12.9925 -12.9834 -12.9834 -6.8915 -6.8915 -5.4798 -5.4798 1.0029 1.0029 1.8200 1.8200 1.9332 1.9332 3.9703 3.9703 4.1984 4.1984 4.9607 4.9607 5.5208 5.5208 5.9290 5.9290 11.0483 11.0483 11.8560 11.8560 12.1438 12.1438 13.2261 13.2261 k = 0.0131 0.0365-0.0000 ( 3795 PWs) bands (ev): -14.5952 -14.5952 -14.5648 -14.5648 -14.0676 -14.0676 -14.0502 -14.0502 -13.5018 -13.5018 -13.4886 -13.4886 -13.1296 -13.1296 -13.1003 -13.1003 -12.9925 -12.9925 -12.9834 -12.9834 -6.8898 -6.8898 -5.4803 -5.4803 1.0039 1.0039 1.8216 1.8216 1.9329 1.9329 3.9706 3.9706 4.1923 4.1923 4.9366 4.9366 5.5403 5.5403 5.9311 5.9311 11.0555 11.0555 11.7496 11.7496 12.2525 12.2525 13.2281 13.2281 k = 0.0197 0.0547-0.0000 ( 3799 PWs) bands (ev): -14.5952 -14.5952 -14.5648 -14.5648 -14.0676 -14.0676 -14.0502 -14.0502 -13.5018 -13.5018 -13.4886 -13.4886 -13.1296 -13.1296 -13.1004 -13.1004 -12.9924 -12.9924 -12.9834 -12.9834 -6.8869 -6.8869 -5.4812 -5.4812 1.0058 1.0058 1.8241 1.8241 1.9324 1.9324 3.9707 3.9707 4.1828 4.1828 4.8997 4.8997 5.5696 5.5696 5.9346 5.9346 11.0668 11.0668 11.6384 11.6384 12.3671 12.3671 13.2311 13.2311 k = 0.0263 0.0730-0.0000 ( 3803 PWs) bands (ev): -14.5951 -14.5951 -14.5648 -14.5648 -14.0675 -14.0675 -14.0502 -14.0502 -13.5018 -13.5018 -13.4886 -13.4886 -13.1296 -13.1296 -13.1004 -13.1004 -12.9924 -12.9924 -12.9833 -12.9833 -6.8830 -6.8830 -5.4824 -5.4824 1.0083 1.0083 1.8277 1.8277 1.9317 1.9317 3.9697 3.9697 4.1710 4.1710 4.8533 4.8533 5.6055 5.6055 5.9392 5.9392 11.0808 11.0808 11.5290 11.5290 12.4809 12.4809 13.2347 13.2347 k = 0.0328 0.0912-0.0000 ( 3787 PWs) bands (ev): -14.5951 -14.5951 -14.5648 -14.5648 -14.0675 -14.0675 -14.0502 -14.0502 -13.5018 -13.5018 -13.4886 -13.4886 -13.1296 -13.1296 -13.1005 -13.1005 -12.9923 -12.9923 -12.9833 -12.9833 -6.8779 -6.8779 -5.4840 -5.4840 1.0115 1.0115 1.8322 1.8322 1.9308 1.9308 3.9663 3.9663 4.1586 4.1586 4.8000 4.8000 5.6455 5.6455 5.9446 5.9446 11.0943 11.0943 11.4257 11.4257 12.5899 12.5899 13.2374 13.2374 k = 0.0394 0.1095-0.0000 ( 3783 PWs) bands (ev): -14.5950 -14.5950 -14.5649 -14.5649 -14.0674 -14.0674 -14.0502 -14.0502 -13.5018 -13.5018 -13.4887 -13.4887 -13.1295 -13.1295 -13.1005 -13.1005 -12.9922 -12.9922 -12.9833 -12.9833 -6.8718 -6.8718 -5.4859 -5.4859 1.0155 1.0155 1.8376 1.8376 1.9297 1.9297 3.9586 3.9586 4.1478 4.1478 4.7418 4.7418 5.6878 5.6878 5.9507 5.9507 11.0976 11.0976 11.3383 11.3383 12.6888 12.6888 13.2356 13.2356 k = 0.0460 0.1277-0.0000 ( 3781 PWs) bands (ev): -14.5949 -14.5949 -14.5649 -14.5649 -14.0673 -14.0673 -14.0502 -14.0502 -13.5018 -13.5018 -13.4887 -13.4887 -13.1295 -13.1295 -13.1006 -13.1006 -12.9921 -12.9921 -12.9832 -12.9832 -6.8645 -6.8645 -5.4883 -5.4883 1.0201 1.0201 1.8439 1.8439 1.9283 1.9283 3.9447 3.9447 4.1411 4.1411 4.6801 4.6801 5.7310 5.7310 5.9572 5.9572 11.0693 11.0693 11.2881 11.2881 12.7699 12.7699 13.2243 13.2243 k = 0.0525 0.1459-0.0000 ( 3769 PWs) bands (ev): -14.5948 -14.5948 -14.5649 -14.5649 -14.0672 -14.0672 -14.0502 -14.0502 -13.5018 -13.5018 -13.4887 -13.4887 -13.1294 -13.1294 -13.1007 -13.1007 -12.9920 -12.9920 -12.9831 -12.9831 -6.8562 -6.8562 -5.4910 -5.4910 1.0254 1.0254 1.8510 1.8510 1.9268 1.9268 3.9235 3.9235 4.1401 4.1401 4.6159 4.6159 5.7743 5.7743 5.9638 5.9638 10.9992 10.9992 11.2852 11.2852 12.8233 12.8233 13.2053 13.2053 k = 0.0591 0.1642-0.0000 ( 3769 PWs) bands (ev): -14.5946 -14.5946 -14.5650 -14.5650 -14.0671 -14.0671 -14.0502 -14.0502 -13.5017 -13.5017 -13.4888 -13.4888 -13.1294 -13.1294 -13.1008 -13.1008 -12.9919 -12.9919 -12.9831 -12.9831 -6.8469 -6.8469 -5.4942 -5.4942 1.0313 1.0313 1.8588 1.8588 1.9251 1.9251 3.8953 3.8953 4.1450 4.1450 4.5501 4.5501 5.8172 5.8172 5.9702 5.9702 10.9078 10.9078 11.3087 11.3087 12.8406 12.8406 13.1884 13.1884 k = 0.0657 0.1824-0.0000 ( 3771 PWs) bands (ev): -14.5945 -14.5945 -14.5650 -14.5650 -14.0670 -14.0670 -14.0502 -14.0502 -13.5017 -13.5017 -13.4889 -13.4889 -13.1293 -13.1293 -13.1010 -13.1010 -12.9918 -12.9918 -12.9830 -12.9830 -6.8366 -6.8366 -5.4978 -5.4978 1.0379 1.0379 1.8671 1.8671 1.9232 1.9232 3.8611 3.8611 4.1552 4.1552 4.4833 4.4833 5.8590 5.8590 5.9763 5.9763 10.8098 10.8098 11.3433 11.3433 12.8222 12.8222 13.1789 13.1789 k = 0.0722 0.2007-0.0000 ( 3771 PWs) bands (ev): -14.5943 -14.5943 -14.5650 -14.5650 -14.0669 -14.0669 -14.0502 -14.0502 -13.5017 -13.5017 -13.4889 -13.4889 -13.1292 -13.1292 -13.1011 -13.1011 -12.9916 -12.9916 -12.9829 -12.9829 -6.8252 -6.8252 -5.5019 -5.5019 1.0451 1.0451 1.8759 1.8759 1.9212 1.9212 3.8225 3.8225 4.1697 4.1697 4.4160 4.4160 5.8996 5.8996 5.9819 5.9819 10.7106 10.7106 11.3834 11.3834 12.7767 12.7767 13.1747 13.1747 k = 0.0788 0.2189-0.0000 ( 3779 PWs) bands (ev): -14.5942 -14.5942 -14.5651 -14.5651 -14.0667 -14.0667 -14.0502 -14.0502 -13.5017 -13.5017 -13.4890 -13.4890 -13.1292 -13.1292 -13.1013 -13.1013 -12.9915 -12.9915 -12.9828 -12.9828 -6.8130 -6.8130 -5.5065 -5.5065 1.0529 1.0529 1.8847 1.8847 1.9193 1.9193 3.7805 3.7805 4.1877 4.1877 4.3487 4.3487 5.9380 5.9380 5.9872 5.9872 10.6124 10.6124 11.4262 11.4262 12.7140 12.7140 13.1717 13.1717 k = 0.0854 0.2371-0.0000 ( 3777 PWs) bands (ev): -14.5940 -14.5940 -14.5651 -14.5651 -14.0666 -14.0666 -14.0502 -14.0502 -13.5017 -13.5017 -13.4891 -13.4891 -13.1291 -13.1291 -13.1014 -13.1014 -12.9913 -12.9913 -12.9828 -12.9828 -6.7998 -6.7998 -5.5116 -5.5116 1.0613 1.0613 1.8930 1.8930 1.9180 1.9180 3.7363 3.7363 4.2086 4.2086 4.2820 4.2820 5.9712 5.9712 5.9953 5.9953 10.5162 10.5162 11.4705 11.4705 12.6404 12.6404 13.1675 13.1675 k = 0.0919 0.2554-0.0000 ( 3781 PWs) bands (ev): -14.5938 -14.5938 -14.5652 -14.5652 -14.0665 -14.0665 -14.0502 -14.0502 -13.5016 -13.5016 -13.4891 -13.4891 -13.1290 -13.1290 -13.1016 -13.1016 -12.9911 -12.9911 -12.9827 -12.9827 -6.7857 -6.7857 -5.5172 -5.5172 1.0701 1.0701 1.8990 1.8990 1.9191 1.9191 3.6907 3.6907 4.2138 4.2138 4.2344 4.2344 5.9855 5.9855 6.0194 6.0194 10.4227 10.4227 11.5152 11.5152 12.5599 12.5599 13.1607 13.1607 k = 0.0985 0.2736-0.0000 ( 3773 PWs) bands (ev): -14.5936 -14.5936 -14.5652 -14.5652 -14.0663 -14.0663 -14.0502 -14.0502 -13.5016 -13.5016 -13.4892 -13.4892 -13.1289 -13.1289 -13.1018 -13.1018 -12.9909 -12.9909 -12.9826 -12.9826 -6.7708 -6.7708 -5.5234 -5.5234 1.0795 1.0795 1.9005 1.9005 1.9243 1.9243 3.6442 3.6442 4.1501 4.1501 4.2592 4.2592 5.9883 5.9883 6.0518 6.0518 10.3323 10.3323 11.5594 11.5594 12.4747 12.4747 13.1507 13.1507 k = 0.1051 0.2919-0.0000 ( 3773 PWs) bands (ev): -14.5934 -14.5934 -14.5653 -14.5653 -14.0661 -14.0661 -14.0502 -14.0502 -13.5016 -13.5016 -13.4893 -13.4893 -13.1288 -13.1288 -13.1020 -13.1020 -12.9907 -12.9907 -12.9825 -12.9825 -6.7551 -6.7551 -5.5301 -5.5301 1.0894 1.0894 1.8987 1.8987 1.9326 1.9326 3.5974 3.5974 4.0866 4.0866 4.2873 4.2873 5.9883 5.9883 6.0838 6.0838 10.2454 10.2454 11.6026 11.6026 12.3864 12.3864 13.1371 13.1371 k = 0.1116 0.3101-0.0000 ( 3773 PWs) bands (ev): -14.5932 -14.5932 -14.5654 -14.5654 -14.0660 -14.0660 -14.0502 -14.0502 -13.5015 -13.5015 -13.4894 -13.4894 -13.1287 -13.1287 -13.1022 -13.1022 -12.9905 -12.9905 -12.9824 -12.9824 -6.7386 -6.7386 -5.5375 -5.5375 1.0998 1.0998 1.8953 1.8953 1.9418 1.9418 3.5509 3.5509 4.0250 4.0250 4.3175 4.3175 5.9864 5.9864 6.1141 6.1141 10.1625 10.1625 11.6442 11.6442 12.2961 12.2961 13.1197 13.1197 k = 0.1182 0.3284-0.0000 ( 3769 PWs) bands (ev): -14.5929 -14.5929 -14.5655 -14.5655 -14.0658 -14.0658 -14.0502 -14.0502 -13.5015 -13.5015 -13.4895 -13.4895 -13.1286 -13.1286 -13.1024 -13.1024 -12.9903 -12.9903 -12.9823 -12.9823 -6.7215 -6.7215 -5.5455 -5.5455 1.1105 1.1105 1.8911 1.8911 1.9512 1.9512 3.5050 3.5050 3.9655 3.9655 4.3495 4.3495 5.9828 5.9828 6.1425 6.1425 10.0837 10.0837 11.6838 11.6838 12.2047 12.2047 13.0982 13.0982 k = 0.1248 0.3466-0.0000 ( 3771 PWs) bands (ev): -14.5927 -14.5927 -14.5656 -14.5656 -14.0656 -14.0656 -14.0503 -14.0503 -13.5015 -13.5015 -13.4896 -13.4896 -13.1285 -13.1285 -13.1026 -13.1026 -12.9901 -12.9901 -12.9822 -12.9822 -6.7037 -6.7037 -5.5541 -5.5541 1.1216 1.1216 1.8863 1.8863 1.9603 1.9603 3.4601 3.4601 3.9084 3.9084 4.3833 4.3833 5.9777 5.9777 6.1688 6.1688 10.0096 10.0096 11.7206 11.7206 12.1134 12.1134 13.0723 13.0723 k = 0.1314 0.3648-0.0000 ( 3767 PWs) bands (ev): -14.5925 -14.5925 -14.5656 -14.5656 -14.0654 -14.0654 -14.0503 -14.0503 -13.5014 -13.5014 -13.4897 -13.4897 -13.1283 -13.1283 -13.1028 -13.1028 -12.9899 -12.9899 -12.9821 -12.9821 -6.6853 -6.6853 -5.5634 -5.5634 1.1331 1.1331 1.8811 1.8811 1.9689 1.9689 3.4164 3.4164 3.8540 3.8540 4.4187 4.4187 5.9709 5.9709 6.1928 6.1928 9.9402 9.9402 11.7533 11.7533 12.0238 12.0238 13.0421 13.0421 k = 0.1379 0.3831-0.0000 ( 3763 PWs) bands (ev): -14.5922 -14.5922 -14.5657 -14.5657 -14.0652 -14.0652 -14.0503 -14.0503 -13.5014 -13.5014 -13.4898 -13.4898 -13.1282 -13.1282 -13.1031 -13.1031 -12.9897 -12.9897 -12.9820 -12.9820 -6.6663 -6.6663 -5.5734 -5.5734 1.1449 1.1449 1.8753 1.8753 1.9768 1.9768 3.3744 3.3744 3.8027 3.8027 4.4556 4.4556 5.9627 5.9627 6.2146 6.2146 9.8760 9.8760 11.7774 11.7774 11.9410 11.9410 13.0072 13.0072 k = 0.1445 0.4013-0.0000 ( 3757 PWs) bands (ev): -14.5919 -14.5919 -14.5659 -14.5659 -14.0650 -14.0650 -14.0504 -14.0504 -13.5014 -13.5014 -13.4899 -13.4899 -13.1281 -13.1281 -13.1033 -13.1033 -12.9895 -12.9895 -12.9819 -12.9819 -6.6469 -6.6469 -5.5841 -5.5841 1.1569 1.1569 1.8692 1.8692 1.9837 1.9837 3.3342 3.3342 3.7547 3.7547 4.4939 4.4939 5.9529 5.9529 6.2340 6.2340 9.8172 9.8172 11.7714 11.7714 11.8870 11.8870 12.9678 12.9678 k = 0.1511 0.4196-0.0000 ( 3753 PWs) bands (ev): -14.5917 -14.5917 -14.5660 -14.5660 -14.0648 -14.0648 -14.0504 -14.0504 -13.5013 -13.5013 -13.4900 -13.4900 -13.1279 -13.1279 -13.1036 -13.1036 -12.9892 -12.9892 -12.9818 -12.9818 -6.6270 -6.6270 -5.5955 -5.5955 1.1692 1.1692 1.8626 1.8626 1.9895 1.9895 3.2961 3.2961 3.7101 3.7101 4.5335 4.5335 5.9416 5.9416 6.2510 6.2510 9.7640 9.7640 11.7107 11.7107 11.8867 11.8867 12.9236 12.9236 k = 0.1576 0.4378-0.0000 ( 3757 PWs) bands (ev): -14.5914 -14.5914 -14.5661 -14.5661 -14.0647 -14.0647 -14.0504 -14.0504 -13.5013 -13.5013 -13.4901 -13.4901 -13.1278 -13.1278 -13.1038 -13.1038 -12.9890 -12.9890 -12.9817 -12.9817 -6.6068 -6.6068 -5.6077 -5.6077 1.1816 1.1816 1.8555 1.8555 1.9942 1.9942 3.2602 3.2602 3.6692 3.6692 4.5742 4.5742 5.9289 5.9289 6.2656 6.2656 9.7167 9.7167 11.6291 11.6291 11.9071 11.9071 12.8749 12.8749 k = 0.1642 0.4560-0.0000 ( 3759 PWs) bands (ev): -14.5912 -14.5912 -14.5662 -14.5662 -14.0645 -14.0645 -14.0505 -14.0505 -13.5012 -13.5012 -13.4902 -13.4902 -13.1276 -13.1276 -13.1041 -13.1041 -12.9888 -12.9888 -12.9816 -12.9816 -6.5863 -6.5863 -5.6206 -5.6206 1.1943 1.1943 1.8480 1.8480 1.9977 1.9977 3.2268 3.2268 3.6320 3.6320 4.6160 4.6160 5.9148 5.9148 6.2778 6.2778 9.6754 9.6754 11.5439 11.5439 11.9311 11.9311 12.8217 12.8217 k = 0.1708 0.4743-0.0000 ( 3747 PWs) bands (ev): -14.5909 -14.5909 -14.5663 -14.5663 -14.0643 -14.0643 -14.0505 -14.0505 -13.5012 -13.5012 -13.4903 -13.4903 -13.1274 -13.1274 -13.1043 -13.1043 -12.9886 -12.9886 -12.9815 -12.9815 -6.5656 -6.5656 -5.6342 -5.6342 1.2070 1.2070 1.8401 1.8401 1.9998 1.9998 3.1960 3.1960 3.5987 3.5987 4.6587 4.6587 5.8994 5.8994 6.2875 6.2875 9.6402 9.6402 11.4591 11.4591 11.9556 11.9556 12.7643 12.7643 k = 0.1773 0.4925-0.0000 ( 3743 PWs) bands (ev): -14.5906 -14.5906 -14.5665 -14.5665 -14.0641 -14.0641 -14.0506 -14.0506 -13.5011 -13.5011 -13.4904 -13.4904 -13.1273 -13.1273 -13.1046 -13.1046 -12.9884 -12.9884 -12.9815 -12.9815 -6.5446 -6.5446 -5.6486 -5.6486 1.2199 1.2199 1.8317 1.8317 2.0007 2.0007 3.1679 3.1679 3.5693 3.5693 4.7022 4.7022 5.8829 5.8829 6.2949 6.2949 9.6114 9.6114 11.3760 11.3760 11.9795 11.9795 12.7029 12.7029 k = 0.1839 0.5108-0.0000 ( 3747 PWs) bands (ev): -14.5903 -14.5903 -14.5666 -14.5666 -14.0639 -14.0639 -14.0507 -14.0507 -13.5011 -13.5011 -13.4905 -13.4905 -13.1271 -13.1271 -13.1049 -13.1049 -12.9882 -12.9882 -12.9814 -12.9814 -6.5236 -6.5236 -5.6637 -5.6637 1.2327 1.2327 1.8230 1.8230 2.0003 2.0003 3.1427 3.1427 3.5437 3.5437 4.7463 4.7463 5.8652 5.8652 6.3001 6.3001 9.5889 9.5889 11.2951 11.2951 12.0029 12.0029 12.6378 12.6378 k = 0.1905 0.5290-0.0000 ( 3751 PWs) bands (ev): -14.5901 -14.5901 -14.5668 -14.5668 -14.0637 -14.0637 -14.0507 -14.0507 -13.5010 -13.5010 -13.4906 -13.4906 -13.1269 -13.1269 -13.1052 -13.1052 -12.9880 -12.9880 -12.9814 -12.9814 -6.5025 -6.5025 -5.6796 -5.6796 1.2456 1.2456 1.8138 1.8138 1.9987 1.9987 3.1204 3.1204 3.5218 3.5218 4.7908 4.7908 5.8464 5.8464 6.3032 6.3032 9.5727 9.5727 11.2170 11.2170 12.0256 12.0256 12.5696 12.5696 k = 0.1970 0.5473-0.0000 ( 3747 PWs) bands (ev): -14.5898 -14.5898 -14.5670 -14.5670 -14.0635 -14.0635 -14.0508 -14.0508 -13.5009 -13.5009 -13.4907 -13.4907 -13.1267 -13.1267 -13.1054 -13.1054 -12.9878 -12.9878 -12.9813 -12.9813 -6.4815 -6.4815 -5.6962 -5.6962 1.2584 1.2584 1.8042 1.8042 1.9961 1.9961 3.1012 3.1012 3.5034 3.5034 4.8357 4.8357 5.8268 5.8268 6.3044 6.3044 9.5628 9.5628 11.1421 11.1421 12.0477 12.0477 12.4986 12.4986 k = 0.2036 0.5655-0.0000 ( 3755 PWs) bands (ev): -14.5895 -14.5895 -14.5671 -14.5671 -14.0633 -14.0633 -14.0509 -14.0509 -13.5009 -13.5009 -13.4909 -13.4909 -13.1265 -13.1265 -13.1057 -13.1057 -12.9876 -12.9876 -12.9813 -12.9813 -6.4605 -6.4605 -5.7135 -5.7135 1.2712 1.2712 1.7943 1.7943 1.9926 1.9926 3.0850 3.0850 3.4885 3.4885 4.8806 4.8806 5.8064 5.8064 6.3038 6.3038 9.5591 9.5591 11.0706 11.0706 12.0693 12.0693 12.4253 12.4253 k = 0.2102 0.5837-0.0000 ( 3757 PWs) bands (ev): -14.5893 -14.5893 -14.5673 -14.5673 -14.0631 -14.0631 -14.0510 -14.0510 -13.5008 -13.5008 -13.4910 -13.4910 -13.1263 -13.1263 -13.1060 -13.1060 -12.9874 -12.9874 -12.9813 -12.9813 -6.4397 -6.4397 -5.7315 -5.7315 1.2838 1.2838 1.7839 1.7839 1.9885 1.9885 3.0719 3.0719 3.4766 3.4766 4.9255 4.9255 5.7854 5.7854 6.3018 6.3018 9.5616 9.5616 11.0030 11.0030 12.0905 12.0905 12.3502 12.3502 k = 0.2167 0.6020-0.0000 ( 3757 PWs) bands (ev): -14.5890 -14.5890 -14.5675 -14.5675 -14.0630 -14.0630 -14.0511 -14.0511 -13.5007 -13.5007 -13.4911 -13.4911 -13.1261 -13.1261 -13.1062 -13.1062 -12.9872 -12.9872 -12.9813 -12.9813 -6.4191 -6.4191 -5.7501 -5.7501 1.2963 1.2963 1.7732 1.7732 1.9840 1.9840 3.0620 3.0620 3.4675 3.4675 4.9700 4.9700 5.7639 5.7639 6.2985 6.2985 9.5699 9.5699 10.9394 10.9394 12.1113 12.1113 12.2738 12.2738 k = 0.2233 0.6202-0.0000 ( 3753 PWs) bands (ev): -14.5887 -14.5887 -14.5677 -14.5677 -14.0628 -14.0628 -14.0512 -14.0512 -13.5007 -13.5007 -13.4912 -13.4912 -13.1259 -13.1259 -13.1065 -13.1065 -12.9870 -12.9870 -12.9813 -12.9813 -6.3988 -6.3988 -5.7694 -5.7694 1.3087 1.3087 1.7622 1.7622 1.9793 1.9793 3.0552 3.0552 3.4610 3.4610 5.0139 5.0139 5.7421 5.7421 6.2943 6.2943 9.5841 9.5841 10.8801 10.8801 12.1317 12.1317 12.1966 12.1966 k = 0.2299 0.6385-0.0000 ( 3759 PWs) bands (ev): -14.5885 -14.5885 -14.5679 -14.5679 -14.0626 -14.0626 -14.0513 -14.0513 -13.5006 -13.5006 -13.4913 -13.4913 -13.1257 -13.1257 -13.1068 -13.1068 -12.9869 -12.9869 -12.9813 -12.9813 -6.3789 -6.3789 -5.7893 -5.7893 1.3208 1.3208 1.7509 1.7509 1.9746 1.9746 3.0515 3.0515 3.4566 3.4566 5.0570 5.0570 5.7202 5.7202 6.2893 6.2893 9.6037 9.6037 10.8255 10.8255 12.1180 12.1180 12.1526 12.1526 k = 0.2364 0.6567-0.0000 ( 3767 PWs) bands (ev): -14.5882 -14.5882 -14.5681 -14.5681 -14.0625 -14.0625 -14.0514 -14.0514 -13.5005 -13.5005 -13.4914 -13.4914 -13.1255 -13.1255 -13.1070 -13.1070 -12.9867 -12.9867 -12.9814 -12.9814 -6.3593 -6.3593 -5.8098 -5.8098 1.3327 1.3327 1.7394 1.7394 1.9703 1.9703 3.0509 3.0509 3.4542 3.4542 5.0988 5.0988 5.6985 5.6985 6.2839 6.2839 9.6286 9.6286 10.7758 10.7758 12.0404 12.0404 12.1721 12.1721 k = 0.2430 0.6749-0.0000 ( 3771 PWs) bands (ev): -14.5880 -14.5880 -14.5683 -14.5683 -14.0623 -14.0623 -14.0516 -14.0516 -13.5005 -13.5005 -13.4915 -13.4915 -13.1253 -13.1253 -13.1073 -13.1073 -12.9866 -12.9866 -12.9814 -12.9814 -6.3402 -6.3402 -5.8308 -5.8308 1.3443 1.3443 1.7275 1.7275 1.9666 1.9666 3.0533 3.0533 3.4533 3.4533 5.1391 5.1391 5.6773 5.6773 6.2784 6.2784 9.6586 9.6586 10.7311 10.7311 11.9629 11.9629 12.1914 12.1914 k = 0.2496 0.6932-0.0000 ( 3765 PWs) bands (ev): -14.5877 -14.5877 -14.5685 -14.5685 -14.0622 -14.0622 -14.0517 -14.0517 -13.5004 -13.5004 -13.4916 -13.4916 -13.1251 -13.1251 -13.1075 -13.1075 -12.9865 -12.9865 -12.9815 -12.9815 -6.3216 -6.3216 -5.8523 -5.8523 1.3557 1.3557 1.7155 1.7155 1.9636 1.9636 3.0587 3.0587 3.4537 3.4537 5.1773 5.1773 5.6569 5.6569 6.2730 6.2730 9.6932 9.6932 10.6919 10.6919 11.8860 11.8860 12.2104 12.2104 k = 0.2561 0.7114-0.0000 ( 3765 PWs) bands (ev): -14.5875 -14.5875 -14.5687 -14.5687 -14.0620 -14.0620 -14.0518 -14.0518 -13.5003 -13.5003 -13.4917 -13.4917 -13.1249 -13.1249 -13.1078 -13.1078 -12.9863 -12.9863 -12.9816 -12.9816 -6.3035 -6.3035 -5.8742 -5.8742 1.3668 1.3668 1.7032 1.7032 1.9617 1.9617 3.0669 3.0669 3.4551 3.4551 5.2128 5.2128 5.6379 5.6379 6.2678 6.2678 9.7324 9.7324 10.6582 10.6582 11.8100 11.8100 12.2289 12.2289 k = 0.2627 0.7297-0.0000 ( 3765 PWs) bands (ev): -14.5873 -14.5873 -14.5689 -14.5689 -14.0619 -14.0619 -14.0519 -14.0519 -13.5002 -13.5002 -13.4918 -13.4918 -13.1246 -13.1246 -13.1080 -13.1080 -12.9862 -12.9862 -12.9817 -12.9817 -6.2861 -6.2861 -5.8965 -5.8965 1.3775 1.3775 1.6908 1.6908 1.9609 1.9609 3.0780 3.0780 3.4573 3.4573 5.2451 5.2451 5.6210 5.6210 6.2632 6.2632 9.7757 9.7757 10.6304 10.6304 11.7352 11.7352 12.2467 12.2467 k = 0.2693 0.7479-0.0000 ( 3761 PWs) bands (ev): -14.5870 -14.5870 -14.5692 -14.5692 -14.0618 -14.0618 -14.0521 -14.0521 -13.5001 -13.5001 -13.4919 -13.4919 -13.1244 -13.1244 -13.1082 -13.1082 -12.9861 -12.9861 -12.9818 -12.9818 -6.2692 -6.2692 -5.9191 -5.9191 1.3879 1.3879 1.6782 1.6782 1.9615 1.9615 3.0917 3.0917 3.4602 3.4602 5.2731 5.2731 5.6069 5.6069 6.2593 6.2593 9.8228 9.8228 10.6085 10.6085 11.6619 11.6619 12.2639 12.2639 k = 0.2758 0.7662-0.0000 ( 3763 PWs) bands (ev): -14.5868 -14.5868 -14.5694 -14.5694 -14.0617 -14.0617 -14.0522 -14.0522 -13.5001 -13.5001 -13.4919 -13.4919 -13.1242 -13.1242 -13.1085 -13.1085 -12.9861 -12.9861 -12.9820 -12.9820 -6.2530 -6.2530 -5.9420 -5.9420 1.3979 1.3979 1.6654 1.6654 1.9635 1.9635 3.1079 3.1079 3.4634 3.4634 5.2960 5.2960 5.5965 5.5965 6.2563 6.2563 9.8736 9.8736 10.5928 10.5928 11.5904 11.5904 12.2801 12.2801 k = 0.2824 0.7844-0.0000 ( 3765 PWs) bands (ev): -14.5866 -14.5866 -14.5696 -14.5696 -14.0615 -14.0615 -14.0524 -14.0524 -13.5000 -13.5000 -13.4920 -13.4920 -13.1240 -13.1240 -13.1087 -13.1087 -12.9860 -12.9860 -12.9821 -12.9821 -6.2376 -6.2376 -5.9651 -5.9651 1.4076 1.4076 1.6525 1.6525 1.9671 1.9671 3.1265 3.1265 3.4670 3.4670 5.3126 5.3126 5.5910 5.5910 6.2541 6.2541 9.9276 9.9276 10.5835 10.5835 11.5209 11.5209 12.2954 12.2954 k = 0.2824 0.7844-0.0000 ( 3765 PWs) bands (ev): -14.5866 -14.5866 -14.5696 -14.5696 -14.0615 -14.0615 -14.0524 -14.0524 -13.5000 -13.5000 -13.4920 -13.4920 -13.1240 -13.1240 -13.1087 -13.1087 -12.9860 -12.9860 -12.9821 -12.9821 -6.2376 -6.2376 -5.9651 -5.9651 1.4076 1.4076 1.6525 1.6525 1.9671 1.9671 3.1265 3.1265 3.4670 3.4670 5.3126 5.3126 5.5910 5.5910 6.2541 6.2541 9.9276 9.9276 10.5835 10.5835 11.5209 11.5209 12.2954 12.2954 k = 0.2636 0.7844-0.0000 ( 3763 PWs) bands (ev): -14.5867 -14.5867 -14.5696 -14.5696 -14.0616 -14.0616 -14.0523 -14.0523 -13.5000 -13.5000 -13.4920 -13.4920 -13.1240 -13.1240 -13.1086 -13.1086 -12.9860 -12.9860 -12.9821 -12.9821 -6.2433 -6.2433 -5.9566 -5.9566 1.4040 1.4040 1.6573 1.6573 1.9667 1.9667 3.1122 3.1122 3.4736 3.4736 5.3069 5.3069 5.5894 5.5894 6.2581 6.2581 9.9092 9.9092 10.5751 10.5751 11.5564 11.5564 12.2918 12.2918 k = 0.2448 0.7844-0.0000 ( 3764 PWs) bands (ev): -14.5868 -14.5868 -14.5695 -14.5695 -14.0616 -14.0616 -14.0523 -14.0523 -13.5000 -13.5000 -13.4920 -13.4920 -13.1241 -13.1241 -13.1085 -13.1085 -12.9860 -12.9860 -12.9820 -12.9820 -6.2503 -6.2503 -5.9469 -5.9469 1.3998 1.3998 1.6627 1.6627 1.9683 1.9683 3.0843 3.0843 3.4934 3.4934 5.2988 5.2988 5.5831 5.5831 6.2686 6.2686 9.8906 9.8906 10.5482 10.5482 11.6151 11.6151 12.2910 12.2910 k = 0.2259 0.7844-0.0000 ( 3766 PWs) bands (ev): -14.5869 -14.5869 -14.5694 -14.5694 -14.0617 -14.0617 -14.0522 -14.0522 -13.5001 -13.5001 -13.4919 -13.4919 -13.1242 -13.1242 -13.1084 -13.1084 -12.9861 -12.9861 -12.9820 -12.9820 -6.2581 -6.2581 -5.9364 -5.9364 1.3951 1.3951 1.6687 1.6687 1.9720 1.9720 3.0474 3.0474 3.5223 3.5223 5.2887 5.2887 5.5727 5.5727 6.2847 6.2847 9.8720 9.8720 10.5076 10.5076 11.6915 11.6915 12.2931 12.2931 k = 0.2071 0.7844-0.0000 ( 3763 PWs) bands (ev): -14.5870 -14.5870 -14.5693 -14.5693 -14.0617 -14.0617 -14.0522 -14.0522 -13.5001 -13.5001 -13.4919 -13.4919 -13.1243 -13.1243 -13.1083 -13.1083 -12.9861 -12.9861 -12.9819 -12.9819 -6.2662 -6.2662 -5.9256 -5.9256 1.3902 1.3902 1.6750 1.6750 1.9778 1.9778 3.0052 3.0052 3.5562 3.5562 5.2771 5.2771 5.5591 5.5591 6.3051 6.3051 9.8536 9.8536 10.4582 10.4582 11.7798 11.7798 12.2979 12.2979 k = 0.1883 0.7844-0.0000 ( 3763 PWs) bands (ev): -14.5871 -14.5871 -14.5692 -14.5692 -14.0618 -14.0618 -14.0521 -14.0521 -13.5001 -13.5001 -13.4918 -13.4918 -13.1244 -13.1244 -13.1082 -13.1082 -12.9862 -12.9862 -12.9818 -12.9818 -6.2743 -6.2743 -5.9149 -5.9149 1.3853 1.3853 1.6813 1.6813 1.9854 1.9854 2.9603 2.9603 3.5926 3.5926 5.2646 5.2646 5.5431 5.5431 6.3286 6.3286 9.8357 9.8357 10.4041 10.4041 11.8748 11.8748 12.3055 12.3055 k = 0.1694 0.7844-0.0000 ( 3765 PWs) bands (ev): -14.5872 -14.5872 -14.5690 -14.5690 -14.0618 -14.0618 -14.0520 -14.0520 -13.5002 -13.5002 -13.4918 -13.4918 -13.1246 -13.1246 -13.1081 -13.1081 -12.9862 -12.9862 -12.9818 -12.9818 -6.2821 -6.2821 -5.9045 -5.9045 1.3804 1.3804 1.6875 1.6875 1.9948 1.9948 2.9146 2.9146 3.6295 3.6295 5.2516 5.2516 5.5256 5.5256 6.3540 6.3540 9.8187 9.8187 10.3486 10.3486 11.9721 11.9721 12.3155 12.3155 k = 0.1506 0.7844-0.0000 ( 3767 PWs) bands (ev): -14.5873 -14.5873 -14.5689 -14.5689 -14.0619 -14.0619 -14.0520 -14.0520 -13.5002 -13.5002 -13.4918 -13.4918 -13.1246 -13.1246 -13.1080 -13.1080 -12.9863 -12.9863 -12.9817 -12.9817 -6.2895 -6.2895 -5.8947 -5.8947 1.3758 1.3758 1.6934 1.6934 2.0057 2.0057 2.8694 2.8694 3.6657 3.6657 5.2386 5.2386 5.5075 5.5075 6.3799 6.3799 9.8027 9.8027 10.2938 10.2938 12.0675 12.0675 12.3279 12.3279 k = 0.1318 0.7844-0.0000 ( 3765 PWs) bands (ev): -14.5874 -14.5874 -14.5689 -14.5689 -14.0620 -14.0620 -14.0519 -14.0519 -13.5002 -13.5002 -13.4917 -13.4917 -13.1247 -13.1247 -13.1079 -13.1079 -12.9863 -12.9863 -12.9817 -12.9817 -6.2963 -6.2963 -5.8857 -5.8857 1.3716 1.3716 1.6990 1.6990 2.0178 2.0178 2.8258 2.8258 3.7001 3.7001 5.2260 5.2260 5.4895 5.4895 6.4055 6.4055 9.7881 9.7881 10.2417 10.2417 12.1571 12.1571 12.3429 12.3429 k = 0.1130 0.7844-0.0000 ( 3759 PWs) bands (ev): -14.5874 -14.5874 -14.5688 -14.5688 -14.0620 -14.0620 -14.0519 -14.0519 -13.5003 -13.5003 -13.4917 -13.4917 -13.1248 -13.1248 -13.1078 -13.1078 -12.9863 -12.9863 -12.9817 -12.9817 -6.3024 -6.3024 -5.8777 -5.8777 1.3677 1.3677 1.7040 1.7040 2.0306 2.0306 2.7848 2.7848 3.7319 3.7319 5.2142 5.2142 5.4724 5.4724 6.4296 6.4296 9.7752 9.7752 10.1936 10.1936 12.2360 12.2360 12.3617 12.3617 k = 0.0941 0.7844-0.0000 ( 3753 PWs) bands (ev): -14.5875 -14.5875 -14.5687 -14.5687 -14.0620 -14.0620 -14.0518 -14.0518 -13.5003 -13.5003 -13.4917 -13.4917 -13.1249 -13.1249 -13.1077 -13.1077 -12.9864 -12.9864 -12.9816 -12.9816 -6.3077 -6.3077 -5.8707 -5.8707 1.3644 1.3644 1.7084 1.7084 2.0437 2.0437 2.7474 2.7474 3.7603 3.7603 5.2036 5.2036 5.4567 5.4567 6.4515 6.4515 9.7641 9.7641 10.1508 10.1508 12.2970 12.2970 12.3884 12.3884 k = 0.0753 0.7844-0.0000 ( 3755 PWs) bands (ev): -14.5876 -14.5876 -14.5686 -14.5686 -14.0621 -14.0621 -14.0518 -14.0518 -13.5003 -13.5003 -13.4917 -13.4917 -13.1250 -13.1250 -13.1077 -13.1077 -12.9864 -12.9864 -12.9816 -12.9816 -6.3121 -6.3121 -5.8648 -5.8648 1.3616 1.3616 1.7121 1.7121 2.0562 2.0562 2.7145 2.7145 3.7845 3.7845 5.1945 5.1945 5.4430 5.4430 6.4705 6.4705 9.7550 9.7550 10.1141 10.1141 12.3342 12.3342 12.4263 12.4263 k = 0.0565 0.7844-0.0000 ( 3750 PWs) bands (ev): -14.5876 -14.5876 -14.5686 -14.5686 -14.0621 -14.0621 -14.0517 -14.0517 -13.5003 -13.5003 -13.4916 -13.4916 -13.1250 -13.1250 -13.1076 -13.1076 -12.9864 -12.9864 -12.9816 -12.9816 -6.3155 -6.3155 -5.8602 -5.8602 1.3593 1.3593 1.7150 1.7150 2.0674 2.0674 2.6872 2.6872 3.8041 3.8041 5.1871 5.1871 5.4317 5.4317 6.4860 6.4860 9.7480 9.7480 10.0847 10.0847 12.3542 12.3542 12.4664 12.4664 k = 0.0377 0.7844-0.0000 ( 3743 PWs) bands (ev): -14.5877 -14.5877 -14.5685 -14.5685 -14.0621 -14.0621 -14.0517 -14.0517 -13.5003 -13.5003 -13.4916 -13.4916 -13.1251 -13.1251 -13.1076 -13.1076 -12.9864 -12.9864 -12.9816 -12.9816 -6.3181 -6.3181 -5.8568 -5.8568 1.3577 1.3577 1.7172 1.7172 2.0764 2.0764 2.6667 2.6667 3.8184 3.8184 5.1816 5.1816 5.4234 5.4234 6.4974 6.4974 9.7430 9.7430 10.0630 10.0630 12.3659 12.3659 12.4987 12.4987 k = 0.0188 0.7844-0.0000 ( 3740 PWs) bands (ev): -14.5877 -14.5877 -14.5685 -14.5685 -14.0621 -14.0621 -14.0517 -14.0517 -13.5003 -13.5003 -13.4916 -13.4916 -13.1251 -13.1251 -13.1075 -13.1075 -12.9864 -12.9864 -12.9816 -12.9816 -6.3196 -6.3196 -5.8548 -5.8548 1.3567 1.3567 1.7185 1.7185 2.0822 2.0822 2.6540 2.6540 3.8272 3.8272 5.1783 5.1783 5.4183 5.4183 6.5043 6.5043 9.7401 9.7401 10.0498 10.0498 12.3723 12.3723 12.5190 12.5190 k = 0.0000 0.7844-0.0000 ( 3738 PWs) bands (ev): -14.5877 -14.5877 -14.5685 -14.5685 -14.0621 -14.0621 -14.0517 -14.0517 -13.5003 -13.5003 -13.4916 -13.4916 -13.1251 -13.1251 -13.1075 -13.1075 -12.9864 -12.9864 -12.9815 -12.9815 -6.3201 -6.3201 -5.8541 -5.8541 1.3564 1.3564 1.7189 1.7189 2.0842 2.0842 2.6496 2.6496 3.8302 3.8302 5.1772 5.1772 5.4166 5.4166 6.5067 6.5067 9.7391 9.7391 10.0453 10.0453 12.3743 12.3743 12.5259 12.5259 k = 0.0000 0.7844-0.0000 ( 3738 PWs) bands (ev): -14.5877 -14.5877 -14.5685 -14.5685 -14.0621 -14.0621 -14.0517 -14.0517 -13.5003 -13.5003 -13.4916 -13.4916 -13.1251 -13.1251 -13.1075 -13.1075 -12.9864 -12.9864 -12.9815 -12.9815 -6.3201 -6.3201 -5.8541 -5.8541 1.3564 1.3564 1.7189 1.7189 2.0842 2.0842 2.6496 2.6496 3.8302 3.8302 5.1772 5.1772 5.4166 5.4166 6.5067 6.5067 9.7391 9.7391 10.0453 10.0453 12.3743 12.3743 12.5259 12.5259 k = 0.0000 0.7844 0.0193 ( 3738 PWs) bands (ev): -14.5875 -14.5875 -14.5682 -14.5682 -14.0622 -14.0622 -14.0517 -14.0517 -13.5004 -13.5004 -13.4913 -13.4913 -13.1251 -13.1251 -13.1076 -13.1076 -12.9864 -12.9864 -12.9815 -12.9815 -6.3200 -6.3200 -5.8543 -5.8543 1.3461 1.3461 1.7069 1.7069 2.0875 2.0875 2.6528 2.6528 3.8366 3.8366 5.1830 5.1830 5.4236 5.4236 6.5154 6.5154 9.7342 9.7342 10.0368 10.0368 12.3604 12.3604 12.5195 12.5195 k = 0.0000 0.7844 0.0385 ( 3738 PWs) bands (ev): -14.5868 -14.5868 -14.5673 -14.5673 -14.0622 -14.0622 -14.0518 -14.0518 -13.5007 -13.5007 -13.4906 -13.4906 -13.1252 -13.1252 -13.1077 -13.1077 -12.9864 -12.9864 -12.9815 -12.9815 -6.3199 -6.3199 -5.8549 -5.8549 1.3159 1.3159 1.6723 1.6723 2.0967 2.0967 2.6621 2.6621 3.8554 3.8554 5.1987 5.1987 5.4462 5.4462 6.5415 6.5415 9.7195 9.7195 10.0114 10.0114 12.3203 12.3203 12.5006 12.5006 k = 0.0000 0.7844 0.0578 ( 3744 PWs) bands (ev): -14.5857 -14.5857 -14.5659 -14.5659 -14.0622 -14.0622 -14.0518 -14.0518 -13.5009 -13.5009 -13.4894 -13.4894 -13.1253 -13.1253 -13.1079 -13.1079 -12.9864 -12.9864 -12.9815 -12.9815 -6.3196 -6.3196 -5.8559 -5.8559 1.2672 1.2672 1.6181 1.6181 2.1102 2.1102 2.6768 2.6768 3.8851 3.8851 5.2192 5.2192 5.4885 5.4885 6.5848 6.5848 9.6953 9.6953 9.9701 9.9701 12.2577 12.2577 12.4695 12.4695 k = 0.0000 0.7844 0.0770 ( 3754 PWs) bands (ev): -14.5842 -14.5842 -14.5639 -14.5639 -14.0622 -14.0622 -14.0519 -14.0519 -13.5011 -13.5011 -13.4879 -13.4879 -13.1254 -13.1254 -13.1081 -13.1081 -12.9864 -12.9864 -12.9815 -12.9815 -6.3193 -6.3193 -5.8573 -5.8573 1.2025 1.2025 1.5479 1.5479 2.1268 2.1268 2.6960 2.6960 3.9240 3.9240 5.2391 5.2391 5.5541 5.5541 6.6450 6.6450 9.6619 9.6619 9.9140 9.9140 12.1776 12.1776 12.4270 12.4270 k = 0.0000 0.7844 0.0963 ( 3758 PWs) bands (ev): -14.5823 -14.5823 -14.5613 -14.5613 -14.0622 -14.0622 -14.0520 -14.0520 -13.5013 -13.5013 -13.4862 -13.4862 -13.1256 -13.1256 -13.1084 -13.1084 -12.9863 -12.9863 -12.9815 -12.9815 -6.3188 -6.3188 -5.8590 -5.8590 1.1241 1.1241 1.4647 1.4647 2.1458 2.1458 2.7190 2.7190 3.9698 3.9698 5.2558 5.2558 5.6441 5.6441 6.7217 6.7217 9.6197 9.6197 9.8446 9.8446 12.0842 12.0842 12.3742 12.3742 k = 0.0000 0.7844 0.1155 ( 3762 PWs) bands (ev): -14.5799 -14.5799 -14.5583 -14.5583 -14.0622 -14.0622 -14.0521 -14.0521 -13.5013 -13.5013 -13.4842 -13.4842 -13.1258 -13.1258 -13.1088 -13.1088 -12.9863 -12.9863 -12.9815 -12.9815 -6.3182 -6.3182 -5.8612 -5.8612 1.0348 1.0348 1.3713 1.3713 2.1672 2.1672 2.7449 2.7449 4.0206 4.0206 5.2689 5.2689 5.7565 5.7565 6.8144 6.8144 9.5695 9.5695 9.7636 9.7636 11.9814 11.9814 12.3121 12.3121 k = 0.0000 0.7844 0.1348 ( 3764 PWs) bands (ev): -14.5771 -14.5771 -14.5548 -14.5548 -14.0623 -14.0623 -14.0522 -14.0522 -13.5011 -13.5011 -13.4820 -13.4820 -13.1260 -13.1260 -13.1092 -13.1092 -12.9862 -12.9862 -12.9815 -12.9815 -6.3175 -6.3175 -5.8638 -5.8638 0.9369 0.9369 1.2699 1.2699 2.1909 2.1909 2.7733 2.7733 4.0747 4.0747 5.2793 5.2793 5.8883 5.8883 6.9222 6.9222 9.5118 9.5118 9.6727 9.6727 11.8717 11.8717 12.2416 12.2416 k = 0.0000 0.7844 0.1540 ( 3768 PWs) bands (ev): -14.5739 -14.5739 -14.5508 -14.5508 -14.0623 -14.0623 -14.0524 -14.0524 -13.5007 -13.5007 -13.4797 -13.4797 -13.1263 -13.1263 -13.1097 -13.1097 -12.9862 -12.9862 -12.9815 -12.9815 -6.3167 -6.3167 -5.8668 -5.8668 0.8327 0.8327 1.1625 1.1625 2.2170 2.2170 2.8040 2.8040 4.1305 4.1305 5.2879 5.2879 6.0366 6.0366 7.0446 7.0446 9.4476 9.4476 9.5736 9.5736 11.7572 11.7572 12.1636 12.1636 k = 0.0000 0.7844 0.1733 ( 3762 PWs) bands (ev): -14.5703 -14.5703 -14.5464 -14.5464 -14.0623 -14.0623 -14.0526 -14.0526 -13.5001 -13.5001 -13.4773 -13.4773 -13.1266 -13.1266 -13.1103 -13.1103 -12.9861 -12.9861 -12.9815 -12.9815 -6.3157 -6.3157 -5.8703 -5.8703 0.7238 0.7238 1.0507 1.0507 2.2457 2.2457 2.8368 2.8368 4.1872 4.1872 5.2950 5.2950 6.1989 6.1989 7.1804 7.1804 9.3776 9.3776 9.4680 9.4680 11.6394 11.6394 12.0790 12.0790 k = 0.0000 0.7844 0.1925 ( 3758 PWs) bands (ev): -14.5663 -14.5663 -14.5417 -14.5417 -14.0624 -14.0624 -14.0528 -14.0528 -13.4994 -13.4994 -13.4747 -13.4747 -13.1269 -13.1269 -13.1109 -13.1109 -12.9860 -12.9860 -12.9815 -12.9815 -6.3145 -6.3145 -5.8742 -5.8742 0.6119 0.6119 0.9360 0.9360 2.2770 2.2770 2.8717 2.8717 4.2439 4.2439 5.3009 5.3009 6.3731 6.3731 7.3288 7.3288 9.3024 9.3024 9.3577 9.3577 11.5194 11.5194 11.9886 11.9886 k = 0.0000 0.7844 0.2118 ( 3758 PWs) bands (ev): -14.5620 -14.5620 -14.5366 -14.5366 -14.0624 -14.0624 -14.0530 -14.0530 -13.4984 -13.4984 -13.4720 -13.4720 -13.1272 -13.1272 -13.1116 -13.1116 -12.9860 -12.9860 -12.9815 -12.9815 -6.3132 -6.3132 -5.8785 -5.8785 0.4983 0.4983 0.8194 0.8194 2.3110 2.3110 2.9086 2.9086 4.3002 4.3002 5.3056 5.3056 6.5574 6.5574 7.4887 7.4887 9.2201 9.2201 9.2471 9.2471 11.3981 11.3981 11.8931 11.8931 k = 0.0000 0.7844 0.2310 ( 3754 PWs) bands (ev): -14.5573 -14.5573 -14.5313 -14.5313 -14.0625 -14.0625 -14.0532 -14.0532 -13.4971 -13.4971 -13.4692 -13.4692 -13.1276 -13.1276 -13.1123 -13.1123 -12.9859 -12.9859 -12.9815 -12.9815 -6.3117 -6.3117 -5.8834 -5.8834 0.3842 0.3842 0.7020 0.7020 2.3478 2.3478 2.9476 2.9476 4.3559 4.3559 5.3090 5.3090 6.7500 6.7500 7.6590 7.6590 9.1164 9.1164 9.1527 9.1527 11.2762 11.2762 11.7933 11.7933 k = 0.0000 0.7844 0.2503 ( 3756 PWs) bands (ev): -14.5524 -14.5524 -14.5258 -14.5258 -14.0625 -14.0625 -14.0535 -14.0535 -13.4957 -13.4957 -13.4663 -13.4663 -13.1280 -13.1280 -13.1131 -13.1131 -12.9858 -12.9858 -12.9815 -12.9815 -6.3100 -6.3100 -5.8887 -5.8887 0.2705 0.2705 0.5847 0.5847 2.3874 2.3874 2.9888 2.9888 4.4107 4.4107 5.3109 5.3109 6.9494 6.9494 7.8386 7.8386 8.9988 8.9988 9.0693 9.0693 11.1545 11.1545 11.6900 11.6900 k = 0.0000 0.7844 0.2696 ( 3760 PWs) bands (ev): -14.5472 -14.5472 -14.5200 -14.5200 -14.0625 -14.0625 -14.0538 -14.0538 -13.4940 -13.4940 -13.4634 -13.4634 -13.1284 -13.1284 -13.1139 -13.1139 -12.9857 -12.9857 -12.9815 -12.9815 -6.3081 -6.3081 -5.8944 -5.8944 0.1581 0.1581 0.4681 0.4681 2.4297 2.4297 3.0321 3.0321 4.4645 4.4645 5.3109 5.3109 7.1542 7.1542 8.0262 8.0262 8.8787 8.8787 8.9881 8.9881 11.0337 11.0337 11.5837 11.5837 k = 0.0000 0.7844 0.2888 ( 3754 PWs) bands (ev): -14.5418 -14.5418 -14.5141 -14.5141 -14.0626 -14.0626 -14.0540 -14.0540 -13.4922 -13.4922 -13.4604 -13.4604 -13.1288 -13.1288 -13.1147 -13.1147 -12.9856 -12.9856 -12.9815 -12.9815 -6.3059 -6.3059 -5.9007 -5.9007 0.0475 0.0475 0.3528 0.3528 2.4749 2.4749 3.0777 3.0777 4.5172 4.5172 5.3088 5.3088 7.3625 7.3625 8.2201 8.2201 8.7585 8.7585 8.9096 8.9096 10.9147 10.9147 11.4753 11.4753 k = 0.0000 0.7844 0.3081 ( 3756 PWs) bands (ev): -14.5362 -14.5362 -14.5082 -14.5082 -14.0626 -14.0626 -14.0543 -14.0543 -13.4901 -13.4901 -13.4574 -13.4574 -13.1292 -13.1292 -13.1156 -13.1156 -12.9855 -12.9855 -12.9815 -12.9815 -6.3035 -6.3035 -5.9075 -5.9075 -0.0606 -0.0606 0.2395 0.2395 2.5227 2.5227 3.1255 3.1255 4.5687 4.5687 5.3041 5.3041 7.5722 7.5722 8.4162 8.4162 8.6401 8.6401 8.8375 8.8375 10.7988 10.7988 11.3653 11.3653 k = 0.0000 0.7844 0.3273 ( 3754 PWs) bands (ev): -14.5304 -14.5304 -14.5022 -14.5022 -14.0626 -14.0626 -14.0546 -14.0546 -13.4878 -13.4878 -13.4544 -13.4544 -13.1296 -13.1296 -13.1165 -13.1165 -12.9854 -12.9854 -12.9815 -12.9815 -6.3009 -6.3009 -5.9147 -5.9147 -0.1657 -0.1657 0.1284 0.1284 2.5733 2.5733 3.1756 3.1756 4.6189 4.6189 5.2965 5.2965 7.7801 7.7801 8.5182 8.5182 8.6023 8.6023 8.7915 8.7915 10.6872 10.6872 11.2545 11.2545 k = 0.0000 0.7844 0.3466 ( 3754 PWs) bands (ev): -14.5245 -14.5245 -14.4962 -14.4962 -14.0627 -14.0627 -14.0549 -14.0549 -13.4853 -13.4853 -13.4513 -13.4513 -13.1301 -13.1301 -13.1174 -13.1174 -12.9853 -12.9853 -12.9815 -12.9815 -6.2979 -6.2979 -5.9225 -5.9225 -0.2673 -0.2673 0.0201 0.0201 2.6266 2.6266 3.2279 3.2279 4.6676 4.6676 5.2854 5.2854 7.9789 7.9789 8.4108 8.4108 8.6480 8.6480 8.8897 8.8897 10.5822 10.5822 11.1439 11.1439 k = 0.0000 0.7844 0.3658 ( 3748 PWs) bands (ev): -14.5185 -14.5185 -14.4902 -14.4902 -14.0627 -14.0627 -14.0552 -14.0552 -13.4826 -13.4826 -13.4483 -13.4483 -13.1305 -13.1305 -13.1183 -13.1183 -12.9851 -12.9851 -12.9815 -12.9815 -6.2946 -6.2946 -5.9307 -5.9307 -0.3651 -0.3651 -0.0852 -0.0852 2.6825 2.6825 3.2824 3.2824 4.7144 4.7144 5.2705 5.2705 8.1395 8.1395 8.3267 8.3267 8.6129 8.6129 9.0898 9.0898 10.4864 10.4864 11.0343 11.0343 k = 0.0000 0.7844 0.3851 ( 3746 PWs) bands (ev): -14.5124 -14.5124 -14.4844 -14.4844 -14.0627 -14.0627 -14.0556 -14.0556 -13.4797 -13.4797 -13.4454 -13.4454 -13.1309 -13.1309 -13.1193 -13.1193 -12.9850 -12.9850 -12.9815 -12.9815 -6.2909 -6.2909 -5.9395 -5.9395 -0.4588 -0.4588 -0.1870 -0.1870 2.7411 2.7411 3.3392 3.3392 4.7592 4.7592 5.2514 5.2514 8.1395 8.1395 8.3578 8.3578 8.6109 8.6109 9.3041 9.3041 10.4040 10.4040 10.9275 10.9275 k = 0.0000 0.7844 0.4043 ( 3750 PWs) bands (ev): -14.5063 -14.5063 -14.4787 -14.4787 -14.0627 -14.0627 -14.0559 -14.0559 -13.4767 -13.4767 -13.4425 -13.4425 -13.1313 -13.1313 -13.1202 -13.1202 -12.9849 -12.9849 -12.9816 -12.9816 -6.2869 -6.2869 -5.9487 -5.9487 -0.5480 -0.5480 -0.2853 -0.2853 2.8022 2.8022 3.3981 3.3981 4.8014 4.8014 5.2276 5.2276 8.0498 8.0498 8.3789 8.3789 8.7002 8.7002 9.5206 9.5206 10.3412 10.3412 10.8262 10.8262 k = 0.0000 0.7844 0.4236 ( 3750 PWs) bands (ev): -14.5003 -14.5003 -14.4731 -14.4731 -14.0627 -14.0627 -14.0562 -14.0562 -13.4735 -13.4735 -13.4397 -13.4397 -13.1317 -13.1317 -13.1212 -13.1212 -12.9848 -12.9848 -12.9816 -12.9816 -6.2825 -6.2825 -5.9585 -5.9585 -0.6325 -0.6325 -0.3796 -0.3796 2.8657 2.8657 3.4591 3.4591 4.8405 4.8405 5.1989 5.1989 7.9541 7.9541 8.3500 8.3500 8.8311 8.8311 9.7328 9.7328 10.3058 10.3058 10.7363 10.7363 k = 0.0000 0.7844 0.4428 ( 3750 PWs) bands (ev): -14.4943 -14.4943 -14.4678 -14.4678 -14.0627 -14.0627 -14.0566 -14.0566 -13.4702 -13.4702 -13.4370 -13.4370 -13.1320 -13.1320 -13.1221 -13.1221 -12.9847 -12.9847 -12.9816 -12.9816 -6.2777 -6.2777 -5.9686 -5.9686 -0.7120 -0.7120 -0.4699 -0.4699 2.9317 2.9317 3.5221 3.5221 4.8760 4.8760 5.1650 5.1650 7.8620 7.8620 8.3098 8.3098 8.9452 8.9452 9.9294 9.9294 10.3056 10.3056 10.6720 10.6720 k = 0.0000 0.7844 0.4621 ( 3748 PWs) bands (ev): -14.4885 -14.4885 -14.4628 -14.4628 -14.0627 -14.0627 -14.0569 -14.0569 -13.4668 -13.4668 -13.4345 -13.4345 -13.1324 -13.1324 -13.1231 -13.1231 -12.9845 -12.9845 -12.9816 -12.9816 -6.2724 -6.2724 -5.9792 -5.9792 -0.7864 -0.7864 -0.5558 -0.5558 3.0000 3.0000 3.5871 3.5871 4.9070 4.9070 5.1258 5.1258 7.7761 7.7761 8.2693 8.2693 9.0212 9.0212 10.0790 10.0790 10.3483 10.3483 10.6657 10.6657 k = 0.0000 0.7844 0.4814 ( 3744 PWs) bands (ev): -14.4827 -14.4827 -14.4581 -14.4581 -14.0626 -14.0626 -14.0572 -14.0572 -13.4633 -13.4633 -13.4321 -13.4321 -13.1327 -13.1327 -13.1240 -13.1240 -12.9844 -12.9844 -12.9817 -12.9817 -6.2667 -6.2667 -5.9902 -5.9902 -0.8555 -0.8555 -0.6373 -0.6373 3.0705 3.0705 3.6539 3.6539 4.9329 4.9329 5.0812 5.0812 7.6980 7.6980 8.2311 8.2311 9.0551 9.0551 10.1231 10.1231 10.4580 10.4580 10.7520 10.7520 k = 0.0000 0.7844 0.5006 ( 3754 PWs) bands (ev): -14.4772 -14.4772 -14.4537 -14.4537 -14.0626 -14.0626 -14.0575 -14.0575 -13.4598 -13.4598 -13.4299 -13.4299 -13.1330 -13.1330 -13.1249 -13.1249 -12.9843 -12.9843 -12.9817 -12.9817 -6.2606 -6.2606 -6.0016 -6.0016 -0.9192 -0.9192 -0.7141 -0.7141 3.1432 3.1432 3.7224 3.7224 4.9526 4.9526 5.0315 5.0315 7.6287 7.6287 8.1954 8.1954 9.0546 9.0546 10.0796 10.0796 10.6241 10.6241 10.9147 10.9147 k = 0.0000 0.7844 0.5199 ( 3750 PWs) bands (ev): -14.4718 -14.4718 -14.4496 -14.4496 -14.0625 -14.0625 -14.0579 -14.0579 -13.4563 -13.4563 -13.4279 -13.4279 -13.1332 -13.1332 -13.1258 -13.1258 -12.9842 -12.9842 -12.9818 -12.9818 -6.2540 -6.2540 -6.0133 -6.0133 -0.9773 -0.9773 -0.7861 -0.7861 3.2179 3.2179 3.7925 3.7925 4.9633 4.9633 4.9788 4.9788 7.5694 7.5694 8.1616 8.1616 9.0322 9.0322 10.0022 10.0022 10.8183 10.8183 11.1156 11.1156 k = 0.0000 0.7844 0.5391 ( 3744 PWs) bands (ev): -14.4667 -14.4667 -14.4460 -14.4460 -14.0625 -14.0625 -14.0582 -14.0582 -13.4528 -13.4528 -13.4262 -13.4262 -13.1334 -13.1334 -13.1266 -13.1266 -12.9840 -12.9840 -12.9819 -12.9819 -6.2468 -6.2468 -6.0253 -6.0253 -1.0297 -1.0297 -0.8532 -0.8532 3.2946 3.2946 3.8640 3.8640 4.9152 4.9152 4.9725 4.9725 7.5207 7.5207 8.1283 8.1283 8.9992 8.9992 9.9129 9.9129 11.0291 11.0291 11.3324 11.3324 k = 0.0000 0.7844 0.5584 ( 3748 PWs) bands (ev): -14.4618 -14.4618 -14.4427 -14.4427 -14.0624 -14.0624 -14.0585 -14.0585 -13.4493 -13.4493 -13.4248 -13.4248 -13.1336 -13.1336 -13.1274 -13.1274 -12.9839 -12.9839 -12.9819 -12.9819 -6.2392 -6.2392 -6.0375 -6.0375 -1.0763 -1.0763 -0.9153 -0.9153 3.3730 3.3730 3.9366 3.9366 4.8509 4.8509 4.9698 4.9698 7.4835 7.4835 8.0939 8.0939 8.9643 8.9643 9.8194 9.8194 11.2500 11.2500 11.5546 11.5546 k = 0.0000 0.7844 0.5776 ( 3748 PWs) bands (ev): -14.4572 -14.4572 -14.4399 -14.4399 -14.0623 -14.0623 -14.0588 -14.0588 -13.4460 -13.4460 -13.4236 -13.4236 -13.1337 -13.1337 -13.1282 -13.1282 -12.9838 -12.9838 -12.9820 -12.9820 -6.2311 -6.2311 -6.0499 -6.0499 -1.1171 -1.1171 -0.9722 -0.9722 3.4531 3.4531 4.0103 4.0103 4.7823 4.7823 4.9588 4.9588 7.4581 7.4581 8.0568 8.0568 8.9339 8.9339 9.7253 9.7253 11.4758 11.4758 11.7764 11.7764 k = 0.0000 0.7844 0.5969 ( 3746 PWs) bands (ev): -14.4530 -14.4530 -14.4375 -14.4375 -14.0622 -14.0622 -14.0591 -14.0591 -13.4427 -13.4427 -13.4227 -13.4227 -13.1338 -13.1338 -13.1290 -13.1290 -12.9836 -12.9836 -12.9821 -12.9821 -6.2225 -6.2225 -6.0624 -6.0624 -1.1521 -1.1521 -1.0238 -1.0238 3.5348 3.5348 4.0847 4.0847 4.7099 4.7099 4.9393 4.9393 7.4448 7.4448 8.0155 8.0155 8.9122 8.9122 9.6323 9.6323 11.7022 11.7022 11.9935 11.9935 k = 0.0000 0.7844 0.6161 ( 3748 PWs) bands (ev): -14.4491 -14.4491 -14.4356 -14.4356 -14.0620 -14.0620 -14.0594 -14.0594 -13.4396 -13.4396 -13.4221 -13.4221 -13.1338 -13.1338 -13.1297 -13.1297 -12.9835 -12.9835 -12.9822 -12.9822 -6.2134 -6.2134 -6.0751 -6.0751 -1.1811 -1.1811 -1.0700 -1.0700 3.6177 3.6177 4.1593 4.1593 4.6344 4.6344 4.9112 4.9112 7.4431 7.4431 7.9693 7.9693 8.9019 8.9019 9.5415 9.5415 11.9252 11.9252 12.2015 12.2015 k = 0.0000 0.7844 0.6354 ( 3754 PWs) bands (ev): -14.4456 -14.4456 -14.4342 -14.4342 -14.0619 -14.0619 -14.0597 -14.0597 -13.4366 -13.4366 -13.4218 -13.4218 -13.1338 -13.1338 -13.1303 -13.1303 -12.9834 -12.9834 -12.9823 -12.9823 -6.2038 -6.2038 -6.0877 -6.0877 -1.2042 -1.2042 -1.1109 -1.1109 3.7019 3.7019 4.2337 4.2337 4.5564 4.5564 4.8751 4.8751 7.4528 7.4528 7.9184 7.9184 8.9040 8.9040 9.4537 9.4537 12.1403 12.1403 12.3953 12.3953 k = 0.0000 0.7844 0.6546 ( 3764 PWs) bands (ev): -14.4424 -14.4424 -14.4332 -14.4332 -14.0617 -14.0617 -14.0600 -14.0600 -13.4339 -13.4339 -13.4219 -13.4219 -13.1337 -13.1337 -13.1309 -13.1309 -12.9833 -12.9833 -12.9824 -12.9824 -6.1937 -6.1937 -6.1004 -6.1004 -1.2213 -1.2213 -1.1461 -1.1461 3.7870 3.7870 4.3064 4.3064 4.4774 4.4774 4.8315 4.8315 7.4730 7.4730 7.8636 7.8636 8.9186 8.9186 9.3696 9.3696 12.3424 12.3424 12.5680 12.5680 k = 0.0000 0.7844 0.6739 ( 3764 PWs) bands (ev): -14.4397 -14.4397 -14.4327 -14.4327 -14.0616 -14.0616 -14.0602 -14.0602 -13.4314 -13.4314 -13.4223 -13.4223 -13.1335 -13.1335 -13.1315 -13.1315 -12.9831 -12.9831 -12.9825 -12.9825 -6.1832 -6.1832 -6.1129 -6.1129 -1.2325 -1.2325 -1.1758 -1.1758 3.8728 3.8728 4.3600 4.3600 4.4150 4.4150 4.7813 4.7813 7.5026 7.5026 7.8063 7.8063 8.9450 8.9450 9.2899 9.2899 12.5244 12.5244 12.7107 12.7107 k = 0.0000 0.7844 0.6931 ( 3754 PWs) bands (ev): -14.4374 -14.4374 -14.4327 -14.4327 -14.0614 -14.0614 -14.0605 -14.0605 -13.4291 -13.4291 -13.4230 -13.4230 -13.1333 -13.1333 -13.1319 -13.1319 -12.9830 -12.9830 -12.9826 -12.9826 -6.1723 -6.1723 -6.1253 -6.1253 -1.2377 -1.2377 -1.1997 -1.1997 3.9591 3.9591 4.3006 4.3006 4.4628 4.4628 4.7252 4.7252 7.5406 7.5406 7.7482 7.7482 8.9821 8.9821 9.2152 9.2152 12.6779 12.6779 12.8129 12.8129 k = 0.0000 0.7844 0.7124 ( 3758 PWs) bands (ev): -14.4356 -14.4356 -14.4332 -14.4332 -14.0612 -14.0612 -14.0607 -14.0607 -13.4271 -13.4271 -13.4240 -13.4240 -13.1331 -13.1331 -13.1324 -13.1324 -12.9829 -12.9829 -12.9827 -12.9827 -6.1610 -6.1610 -6.1375 -6.1375 -1.2370 -1.2370 -1.2180 -1.2180 4.0456 4.0456 4.2174 4.2174 4.5316 4.5316 4.6642 4.6642 7.5856 7.5856 7.6909 7.6909 9.0287 9.0287 9.1462 9.1462 12.7922 12.7922 12.8638 12.8638 k = 0.0000 0.7844 0.7317 ( 3760 PWs) bands (ev): -14.4342 -14.4342 -14.4342 -14.4342 -14.0610 -14.0610 -14.0610 -14.0610 -13.4254 -13.4254 -13.4254 -13.4254 -13.1328 -13.1328 -13.1328 -13.1328 -12.9828 -12.9828 -12.9828 -12.9828 -6.1494 -6.1494 -6.1494 -6.1494 -1.2304 -1.2304 -1.2304 -1.2304 4.1319 4.1319 4.1319 4.1319 4.5993 4.5993 4.5993 4.5993 7.6362 7.6362 7.6362 7.6362 9.0837 9.0837 9.0837 9.0837 12.8567 12.8567 12.8567 12.8567 k = 0.0000 0.7844 0.7317 ( 3760 PWs) bands (ev): -14.4342 -14.4342 -14.4342 -14.4342 -14.0610 -14.0610 -14.0610 -14.0610 -13.4254 -13.4254 -13.4254 -13.4254 -13.1328 -13.1328 -13.1328 -13.1328 -12.9828 -12.9828 -12.9828 -12.9828 -6.1494 -6.1494 -6.1494 -6.1494 -1.2304 -1.2304 -1.2304 -1.2304 4.1319 4.1319 4.1319 4.1319 4.5993 4.5993 4.5993 4.5993 7.6362 7.6362 7.6362 7.6362 9.0837 9.0837 9.0837 9.0837 12.8567 12.8567 12.8567 12.8567 k = 0.0188 0.7844 0.7317 ( 3760 PWs) bands (ev): -14.4342 -14.4342 -14.4341 -14.4341 -14.0610 -14.0610 -14.0610 -14.0610 -13.4255 -13.4255 -13.4253 -13.4253 -13.1328 -13.1328 -13.1327 -13.1327 -12.9829 -12.9829 -12.9826 -12.9826 -6.1494 -6.1494 -6.1494 -6.1494 -1.2307 -1.2307 -1.2307 -1.2307 4.1296 4.1296 4.1311 4.1311 4.6003 4.6003 4.6044 4.6044 7.6195 7.6195 7.6487 7.6487 9.0736 9.0736 9.0984 9.0984 12.8537 12.8537 12.8564 12.8564 k = 0.0377 0.7844 0.7317 ( 3750 PWs) bands (ev): -14.4342 -14.4342 -14.4341 -14.4341 -14.0610 -14.0610 -14.0610 -14.0610 -13.4256 -13.4256 -13.4253 -13.4253 -13.1329 -13.1329 -13.1326 -13.1326 -12.9831 -12.9831 -12.9825 -12.9825 -6.1494 -6.1494 -6.1493 -6.1493 -1.2315 -1.2315 -1.2315 -1.2315 4.1246 4.1246 4.1275 4.1275 4.6071 4.6071 4.6154 4.6154 7.5990 7.5990 7.6567 7.6567 9.0681 9.0681 9.1172 9.1172 12.8474 12.8474 12.8528 12.8528 k = 0.0565 0.7844 0.7317 ( 3754 PWs) bands (ev): -14.4342 -14.4342 -14.4341 -14.4341 -14.0610 -14.0610 -14.0609 -14.0609 -13.4256 -13.4256 -13.4252 -13.4252 -13.1330 -13.1330 -13.1325 -13.1325 -12.9832 -12.9832 -12.9823 -12.9823 -6.1494 -6.1494 -6.1493 -6.1493 -1.2329 -1.2329 -1.2328 -1.2328 4.1172 4.1172 4.1215 4.1215 4.6191 4.6191 4.6316 4.6316 7.5755 7.5755 7.6603 7.6603 9.0672 9.0672 9.1392 9.1392 12.8382 12.8382 12.8461 12.8461 k = 0.0753 0.7844 0.7317 ( 3752 PWs) bands (ev): -14.4342 -14.4342 -14.4341 -14.4341 -14.0610 -14.0610 -14.0609 -14.0609 -13.4257 -13.4257 -13.4251 -13.4251 -13.1331 -13.1331 -13.1325 -13.1325 -12.9834 -12.9834 -12.9822 -12.9822 -6.1493 -6.1493 -6.1492 -6.1492 -1.2348 -1.2348 -1.2347 -1.2347 4.1082 4.1082 4.1138 4.1138 4.6355 4.6355 4.6522 4.6522 7.5497 7.5497 7.6600 7.6600 9.0704 9.0704 9.1637 9.1637 12.8262 12.8262 12.8366 12.8366 k = 0.0941 0.7844 0.7317 ( 3750 PWs) bands (ev): -14.4342 -14.4342 -14.4341 -14.4341 -14.0610 -14.0610 -14.0609 -14.0609 -13.4257 -13.4257 -13.4251 -13.4251 -13.1331 -13.1331 -13.1324 -13.1324 -12.9835 -12.9835 -12.9820 -12.9820 -6.1493 -6.1493 -6.1492 -6.1492 -1.2371 -1.2371 -1.2370 -1.2370 4.0983 4.0983 4.1052 4.1052 4.6553 4.6553 4.6762 4.6762 7.5228 7.5228 7.6565 7.6565 9.0769 9.0769 9.1895 9.1895 12.8119 12.8119 12.8247 12.8247 k = 0.1130 0.7844 0.7317 ( 3754 PWs) bands (ev): -14.4342 -14.4342 -14.4341 -14.4341 -14.0610 -14.0610 -14.0609 -14.0609 -13.4258 -13.4258 -13.4250 -13.4250 -13.1332 -13.1332 -13.1323 -13.1323 -12.9837 -12.9837 -12.9819 -12.9819 -6.1492 -6.1492 -6.1491 -6.1491 -1.2399 -1.2399 -1.2397 -1.2397 4.0883 4.0883 4.0963 4.0963 4.6774 4.6774 4.7024 4.7024 7.4956 7.4956 7.6506 7.6506 9.0859 9.0859 9.2155 9.2155 12.7960 12.7960 12.8108 12.8108 k = 0.1318 0.7844 0.7317 ( 3754 PWs) bands (ev): -14.4342 -14.4342 -14.4341 -14.4341 -14.0610 -14.0610 -14.0609 -14.0609 -13.4259 -13.4259 -13.4250 -13.4250 -13.1332 -13.1332 -13.1323 -13.1323 -12.9838 -12.9838 -12.9818 -12.9818 -6.1492 -6.1492 -6.1491 -6.1491 -1.2430 -1.2430 -1.2429 -1.2429 4.0786 4.0786 4.0877 4.0877 4.7008 4.7008 4.7300 4.7300 7.4692 7.4692 7.6433 7.6433 9.0961 9.0961 9.2407 9.2407 12.7789 12.7789 12.7957 12.7957 k = 0.1506 0.7844 0.7317 ( 3756 PWs) bands (ev): -14.4342 -14.4342 -14.4341 -14.4341 -14.0610 -14.0610 -14.0609 -14.0609 -13.4259 -13.4259 -13.4249 -13.4249 -13.1333 -13.1333 -13.1322 -13.1322 -12.9839 -12.9839 -12.9817 -12.9817 -6.1491 -6.1491 -6.1490 -6.1490 -1.2465 -1.2465 -1.2463 -1.2463 4.0699 4.0699 4.0799 4.0799 4.7247 4.7247 4.7579 4.7579 7.4447 7.4447 7.6357 7.6357 9.1064 9.1064 9.2640 9.2640 12.7614 12.7614 12.7800 12.7800 k = 0.1694 0.7844 0.7317 ( 3756 PWs) bands (ev): -14.4342 -14.4342 -14.4341 -14.4341 -14.0610 -14.0610 -14.0609 -14.0609 -13.4259 -13.4259 -13.4249 -13.4249 -13.1333 -13.1333 -13.1322 -13.1322 -12.9840 -12.9840 -12.9816 -12.9816 -6.1491 -6.1491 -6.1490 -6.1490 -1.2502 -1.2502 -1.2500 -1.2500 4.0625 4.0625 4.0732 4.0732 4.7482 4.7482 4.7853 4.7853 7.4231 7.4231 7.6289 7.6289 9.1158 9.1158 9.2843 9.2843 12.7444 12.7444 12.7645 12.7645 k = 0.1883 0.7844 0.7317 ( 3744 PWs) bands (ev): -14.4342 -14.4342 -14.4341 -14.4341 -14.0611 -14.0611 -14.0609 -14.0609 -13.4260 -13.4260 -13.4248 -13.4248 -13.1334 -13.1334 -13.1322 -13.1322 -12.9841 -12.9841 -12.9815 -12.9815 -6.1492 -6.1492 -6.1490 -6.1490 -1.2541 -1.2541 -1.2539 -1.2539 4.0566 4.0566 4.0679 4.0679 4.7706 4.7706 4.8112 4.8112 7.4053 7.4053 7.6237 7.6237 9.1231 9.1231 9.3008 9.3008 12.7285 12.7285 12.7499 12.7499 k = 0.2071 0.7844 0.7317 ( 3736 PWs) bands (ev): -14.4342 -14.4342 -14.4341 -14.4341 -14.0611 -14.0611 -14.0609 -14.0609 -13.4260 -13.4260 -13.4248 -13.4248 -13.1334 -13.1334 -13.1321 -13.1321 -12.9842 -12.9842 -12.9814 -12.9814 -6.1492 -6.1492 -6.1491 -6.1491 -1.2581 -1.2581 -1.2579 -1.2579 4.0525 4.0525 4.0643 4.0643 4.7912 4.7912 4.8349 4.8349 7.3921 7.3921 7.6211 7.6211 9.1274 9.1274 9.3125 9.3125 12.7145 12.7145 12.7372 12.7372 k = 0.2259 0.7844 0.7317 ( 3734 PWs) bands (ev): -14.4342 -14.4342 -14.4341 -14.4341 -14.0611 -14.0611 -14.0609 -14.0609 -13.4260 -13.4260 -13.4247 -13.4247 -13.1334 -13.1334 -13.1321 -13.1321 -12.9842 -12.9842 -12.9814 -12.9814 -6.1494 -6.1494 -6.1492 -6.1492 -1.2621 -1.2621 -1.2619 -1.2619 4.0503 4.0503 4.0624 4.0624 4.8093 4.8093 4.8557 4.8557 7.3842 7.3842 7.6219 7.6219 9.1281 9.1281 9.3190 9.3190 12.7031 12.7031 12.7268 12.7268 k = 0.2448 0.7844 0.7317 ( 3734 PWs) bands (ev): -14.4342 -14.4342 -14.4341 -14.4341 -14.0611 -14.0611 -14.0609 -14.0609 -13.4260 -13.4260 -13.4247 -13.4247 -13.1335 -13.1335 -13.1321 -13.1321 -12.9843 -12.9843 -12.9814 -12.9814 -6.1496 -6.1496 -6.1494 -6.1494 -1.2661 -1.2661 -1.2659 -1.2659 4.0501 4.0501 4.0622 4.0622 4.8245 4.8245 4.8729 4.8729 7.3823 7.3823 7.6266 7.6266 9.1246 9.1246 9.3196 9.3196 12.6949 12.6949 12.7194 12.7194 k = 0.2636 0.7844 0.7317 ( 3732 PWs) bands (ev): -14.4342 -14.4342 -14.4341 -14.4341 -14.0611 -14.0611 -14.0609 -14.0609 -13.4261 -13.4261 -13.4247 -13.4247 -13.1335 -13.1335 -13.1321 -13.1321 -12.9843 -12.9843 -12.9814 -12.9814 -6.1498 -6.1498 -6.1497 -6.1497 -1.2699 -1.2699 -1.2697 -1.2697 4.0518 4.0518 4.0640 4.0640 4.8364 4.8364 4.8861 4.8861 7.3868 7.3868 7.6355 7.6355 9.1167 9.1167 9.3141 9.3141 12.6901 12.6901 12.7155 12.7155 k = 0.2824 0.7844 0.7317 ( 3734 PWs) bands (ev): -14.4342 -14.4342 -14.4341 -14.4341 -14.0611 -14.0611 -14.0609 -14.0609 -13.4261 -13.4261 -13.4247 -13.4247 -13.1335 -13.1335 -13.1321 -13.1321 -12.9844 -12.9844 -12.9814 -12.9814 -6.1502 -6.1502 -6.1500 -6.1500 -1.2735 -1.2735 -1.2734 -1.2734 4.0555 4.0555 4.0675 4.0675 4.8447 4.8447 4.8950 4.8950 7.3979 7.3979 7.6488 7.6488 9.1044 9.1044 9.3026 9.3026 12.6892 12.6892 12.7152 12.7152 k = 0.2824 0.7844 0.7317 ( 3734 PWs) bands (ev): -14.4342 -14.4342 -14.4341 -14.4341 -14.0611 -14.0611 -14.0609 -14.0609 -13.4261 -13.4261 -13.4247 -13.4247 -13.1335 -13.1335 -13.1321 -13.1321 -12.9844 -12.9844 -12.9814 -12.9814 -6.1502 -6.1502 -6.1500 -6.1500 -1.2735 -1.2735 -1.2734 -1.2734 4.0555 4.0555 4.0675 4.0675 4.8447 4.8447 4.8950 4.8950 7.3979 7.3979 7.6488 7.6488 9.1044 9.1044 9.3026 9.3026 12.6892 12.6892 12.7152 12.7152 k = 0.2758 0.7662 0.7317 ( 3734 PWs) bands (ev): -14.4342 -14.4342 -14.4341 -14.4341 -14.0611 -14.0611 -14.0609 -14.0609 -13.4261 -13.4261 -13.4247 -13.4247 -13.1335 -13.1335 -13.1321 -13.1321 -12.9843 -12.9843 -12.9813 -12.9813 -6.1492 -6.1492 -6.1490 -6.1490 -1.2632 -1.2632 -1.2630 -1.2630 4.0425 4.0425 4.0552 4.0552 4.8258 4.8258 4.8755 4.8755 7.3557 7.3557 7.6036 7.6036 9.1482 9.1482 9.3468 9.3468 12.6868 12.6868 12.7110 12.7110 k = 0.2693 0.7479 0.7317 ( 3734 PWs) bands (ev): -14.4342 -14.4342 -14.4341 -14.4341 -14.0611 -14.0611 -14.0609 -14.0609 -13.4261 -13.4261 -13.4247 -13.4247 -13.1335 -13.1335 -13.1321 -13.1321 -12.9843 -12.9843 -12.9813 -12.9813 -6.1486 -6.1486 -6.1484 -6.1484 -1.2537 -1.2537 -1.2534 -1.2534 4.0316 4.0316 4.0450 4.0450 4.8084 4.8084 4.8574 4.8574 7.3167 7.3167 7.5621 7.5621 9.1918 9.1918 9.3914 9.3914 12.6855 12.6855 12.7078 12.7078 k = 0.2627 0.7297 0.7317 ( 3742 PWs) bands (ev): -14.4342 -14.4342 -14.4341 -14.4341 -14.0611 -14.0611 -14.0609 -14.0609 -13.4260 -13.4260 -13.4248 -13.4248 -13.1335 -13.1335 -13.1320 -13.1320 -12.9843 -12.9843 -12.9813 -12.9813 -6.1485 -6.1485 -6.1483 -6.1483 -1.2449 -1.2449 -1.2445 -1.2445 4.0228 4.0228 4.0368 4.0368 4.7929 4.7929 4.8411 4.8411 7.2812 7.2812 7.5244 7.5244 9.2350 9.2350 9.4360 9.4360 12.6849 12.6849 12.7054 12.7054 k = 0.2561 0.7114 0.7317 ( 3738 PWs) bands (ev): -14.4342 -14.4342 -14.4341 -14.4341 -14.0611 -14.0611 -14.0609 -14.0609 -13.4260 -13.4260 -13.4248 -13.4248 -13.1335 -13.1335 -13.1320 -13.1320 -12.9842 -12.9842 -12.9813 -12.9813 -6.1488 -6.1488 -6.1486 -6.1486 -1.2370 -1.2370 -1.2365 -1.2365 4.0159 4.0159 4.0305 4.0305 4.7792 4.7792 4.8266 4.8266 7.2495 7.2495 7.4907 7.4907 9.2779 9.2779 9.4805 9.4805 12.6851 12.6851 12.7037 12.7037 k = 0.2496 0.6932 0.7317 ( 3742 PWs) bands (ev): -14.4342 -14.4342 -14.4341 -14.4341 -14.0611 -14.0611 -14.0609 -14.0609 -13.4260 -13.4260 -13.4248 -13.4248 -13.1335 -13.1335 -13.1320 -13.1320 -12.9842 -12.9842 -12.9814 -12.9814 -6.1496 -6.1496 -6.1494 -6.1494 -1.2299 -1.2299 -1.2294 -1.2294 4.0106 4.0106 4.0259 4.0259 4.7677 4.7677 4.8141 4.8141 7.2216 7.2216 7.4611 7.4611 9.3202 9.3202 9.5248 9.5248 12.6858 12.6858 12.7026 12.7026 k = 0.2430 0.6749 0.7317 ( 3752 PWs) bands (ev): -14.4342 -14.4342 -14.4341 -14.4341 -14.0611 -14.0611 -14.0609 -14.0609 -13.4260 -13.4260 -13.4248 -13.4248 -13.1335 -13.1335 -13.1319 -13.1319 -12.9842 -12.9842 -12.9814 -12.9814 -6.1508 -6.1508 -6.1506 -6.1506 -1.2237 -1.2237 -1.2232 -1.2232 4.0068 4.0068 4.0228 4.0228 4.7585 4.7585 4.8038 4.8038 7.1979 7.1979 7.4359 7.4359 9.3618 9.3618 9.5688 9.5688 12.6869 12.6869 12.7018 12.7018 k = 0.2364 0.6567 0.7317 ( 3756 PWs) bands (ev): -14.4342 -14.4342 -14.4342 -14.4342 -14.0611 -14.0611 -14.0609 -14.0609 -13.4260 -13.4260 -13.4249 -13.4249 -13.1335 -13.1335 -13.1319 -13.1319 -12.9843 -12.9843 -12.9815 -12.9815 -6.1525 -6.1525 -6.1522 -6.1522 -1.2185 -1.2185 -1.2178 -1.2178 4.0043 4.0043 4.0209 4.0209 4.7517 4.7517 4.7959 4.7959 7.1785 7.1785 7.4151 7.4151 9.4027 9.4027 9.6123 9.6123 12.6882 12.6882 12.7011 12.7011 k = 0.2299 0.6385 0.7317 ( 3748 PWs) bands (ev): -14.4342 -14.4342 -14.4342 -14.4342 -14.0611 -14.0611 -14.0609 -14.0609 -13.4260 -13.4260 -13.4249 -13.4249 -13.1335 -13.1335 -13.1319 -13.1319 -12.9843 -12.9843 -12.9815 -12.9815 -6.1546 -6.1546 -6.1543 -6.1543 -1.2140 -1.2140 -1.2133 -1.2133 4.0027 4.0027 4.0200 4.0200 4.7476 4.7476 4.7904 4.7904 7.1637 7.1637 7.3991 7.3991 9.4427 9.4427 9.6551 9.6551 12.6896 12.6896 12.7004 12.7004 k = 0.2233 0.6202 0.7317 ( 3760 PWs) bands (ev): -14.4342 -14.4342 -14.4342 -14.4342 -14.0611 -14.0611 -14.0609 -14.0609 -13.4259 -13.4259 -13.4249 -13.4249 -13.1335 -13.1335 -13.1318 -13.1318 -12.9843 -12.9843 -12.9816 -12.9816 -6.1571 -6.1571 -6.1568 -6.1568 -1.2105 -1.2105 -1.2097 -1.2097 4.0020 4.0020 4.0200 4.0200 4.7462 4.7462 4.7875 4.7875 7.1535 7.1535 7.3878 7.3878 9.4817 9.4817 9.6972 9.6972 12.6907 12.6907 12.6994 12.6994 k = 0.2167 0.6020 0.7317 ( 3764 PWs) bands (ev): -14.4342 -14.4342 -14.4342 -14.4342 -14.0612 -14.0612 -14.0610 -14.0610 -13.4259 -13.4259 -13.4249 -13.4249 -13.1334 -13.1334 -13.1318 -13.1318 -12.9844 -12.9844 -12.9817 -12.9817 -6.1600 -6.1600 -6.1598 -6.1598 -1.2079 -1.2079 -1.2070 -1.2070 4.0017 4.0017 4.0204 4.0204 4.7476 4.7476 4.7874 4.7874 7.1482 7.1482 7.3815 7.3815 9.5195 9.5195 9.7383 9.7383 12.6914 12.6914 12.6978 12.6978 k = 0.2102 0.5837 0.7317 ( 3768 PWs) bands (ev): -14.4342 -14.4342 -14.4342 -14.4342 -14.0612 -14.0612 -14.0610 -14.0610 -13.4259 -13.4259 -13.4249 -13.4249 -13.1334 -13.1334 -13.1317 -13.1317 -12.9844 -12.9844 -12.9819 -12.9819 -6.1634 -6.1634 -6.1631 -6.1631 -1.2061 -1.2061 -1.2051 -1.2051 4.0018 4.0018 4.0211 4.0211 4.7520 4.7520 4.7901 4.7901 7.1479 7.1479 7.3804 7.3804 9.5560 9.5560 9.7782 9.7782 12.6915 12.6915 12.6956 12.6956 k = 0.2036 0.5655 0.7317 ( 3756 PWs) bands (ev): -14.4342 -14.4342 -14.4342 -14.4342 -14.0612 -14.0612 -14.0610 -14.0610 -13.4258 -13.4258 -13.4249 -13.4249 -13.1334 -13.1334 -13.1317 -13.1317 -12.9845 -12.9845 -12.9820 -12.9820 -6.1671 -6.1671 -6.1668 -6.1668 -1.2051 -1.2051 -1.2041 -1.2041 4.0020 4.0020 4.0219 4.0219 4.7593 4.7593 4.7957 4.7957 7.1528 7.1528 7.3845 7.3845 9.5910 9.5910 9.8169 9.8169 12.6908 12.6908 12.6924 12.6924 k = 0.1970 0.5473 0.7317 ( 3748 PWs) bands (ev): -14.4343 -14.4343 -14.4342 -14.4342 -14.0613 -14.0613 -14.0611 -14.0611 -13.4258 -13.4258 -13.4250 -13.4250 -13.1333 -13.1333 -13.1316 -13.1316 -12.9846 -12.9846 -12.9821 -12.9821 -6.1712 -6.1712 -6.1709 -6.1709 -1.2049 -1.2049 -1.2038 -1.2038 4.0020 4.0020 4.0226 4.0226 4.7696 4.7696 4.8041 4.8041 7.1629 7.1629 7.3939 7.3939 9.6244 9.6244 9.8542 9.8542 12.6880 12.6880 12.6892 12.6892 k = 0.1905 0.5290 0.7317 ( 3752 PWs) bands (ev): -14.4343 -14.4343 -14.4342 -14.4342 -14.0613 -14.0613 -14.0611 -14.0611 -13.4257 -13.4257 -13.4250 -13.4250 -13.1333 -13.1333 -13.1316 -13.1316 -12.9847 -12.9847 -12.9823 -12.9823 -6.1756 -6.1756 -6.1753 -6.1753 -1.2055 -1.2055 -1.2044 -1.2044 4.0018 4.0018 4.0229 4.0229 4.7829 4.7829 4.8155 4.8155 7.1784 7.1784 7.4088 7.4088 9.6560 9.6560 9.8898 9.8898 12.6823 12.6823 12.6863 12.6863 k = 0.1839 0.5108 0.7317 ( 3748 PWs) bands (ev): -14.4343 -14.4343 -14.4342 -14.4342 -14.0614 -14.0614 -14.0612 -14.0612 -13.4257 -13.4257 -13.4250 -13.4250 -13.1332 -13.1332 -13.1315 -13.1315 -12.9848 -12.9848 -12.9825 -12.9825 -6.1803 -6.1803 -6.1800 -6.1800 -1.2068 -1.2068 -1.2056 -1.2056 4.0012 4.0012 4.0227 4.0227 4.7992 4.7992 4.8299 4.8299 7.1993 7.1993 7.4292 7.4292 9.6856 9.6856 9.9237 9.9237 12.6750 12.6750 12.6820 12.6820 k = 0.1773 0.4925 0.7317 ( 3758 PWs) bands (ev): -14.4344 -14.4344 -14.4343 -14.4343 -14.0614 -14.0614 -14.0612 -14.0612 -13.4257 -13.4257 -13.4250 -13.4250 -13.1331 -13.1331 -13.1315 -13.1315 -12.9849 -12.9849 -12.9826 -12.9826 -6.1853 -6.1853 -6.1850 -6.1850 -1.2088 -1.2088 -1.2075 -1.2075 4.0001 4.0001 4.0219 4.0219 4.8183 4.8183 4.8470 4.8470 7.2256 7.2256 7.4552 7.4552 9.7131 9.7131 9.9555 9.9555 12.6659 12.6659 12.6761 12.6761 k = 0.1708 0.4743 0.7317 ( 3754 PWs) bands (ev): -14.4344 -14.4344 -14.4343 -14.4343 -14.0615 -14.0615 -14.0613 -14.0613 -13.4256 -13.4256 -13.4250 -13.4250 -13.1331 -13.1331 -13.1314 -13.1314 -12.9850 -12.9850 -12.9828 -12.9828 -6.1905 -6.1905 -6.1902 -6.1902 -1.2114 -1.2114 -1.2101 -1.2101 3.9983 3.9983 4.0203 4.0203 4.8402 4.8402 4.8670 4.8670 7.2573 7.2573 7.4866 7.4866 9.7383 9.7383 9.9853 9.9853 12.6549 12.6549 12.6684 12.6684 k = 0.1642 0.4560 0.7317 ( 3746 PWs) bands (ev): -14.4344 -14.4344 -14.4343 -14.4343 -14.0616 -14.0616 -14.0614 -14.0614 -13.4256 -13.4256 -13.4250 -13.4250 -13.1330 -13.1330 -13.1313 -13.1313 -12.9851 -12.9851 -12.9830 -12.9830 -6.1960 -6.1960 -6.1956 -6.1956 -1.2145 -1.2145 -1.2132 -1.2132 3.9959 3.9959 4.0180 4.0180 4.8647 4.8647 4.8896 4.8896 7.2943 7.2943 7.5236 7.5236 9.7610 9.7610 10.0127 10.0127 12.6417 12.6417 12.6587 12.6587 k = 0.1576 0.4378 0.7317 ( 3746 PWs) bands (ev): -14.4345 -14.4345 -14.4343 -14.4343 -14.0616 -14.0616 -14.0614 -14.0614 -13.4255 -13.4255 -13.4250 -13.4250 -13.1329 -13.1329 -13.1313 -13.1313 -12.9852 -12.9852 -12.9832 -12.9832 -6.2016 -6.2016 -6.2013 -6.2013 -1.2182 -1.2182 -1.2169 -1.2169 3.9929 3.9929 4.0150 4.0150 4.8917 4.8917 4.9147 4.9147 7.3366 7.3366 7.5660 7.5660 9.7811 9.7811 10.0377 10.0377 12.6260 12.6260 12.6466 12.6466 k = 0.1511 0.4196 0.7317 ( 3750 PWs) bands (ev): -14.4345 -14.4345 -14.4344 -14.4344 -14.0617 -14.0617 -14.0615 -14.0615 -13.4255 -13.4255 -13.4250 -13.4250 -13.1329 -13.1329 -13.1312 -13.1312 -12.9853 -12.9853 -12.9834 -12.9834 -6.2074 -6.2074 -6.2070 -6.2070 -1.2223 -1.2223 -1.2210 -1.2210 3.9892 3.9892 4.0111 4.0111 4.9209 4.9209 4.9422 4.9422 7.3840 7.3840 7.6137 7.6137 9.7985 9.7985 10.0600 10.0600 12.6077 12.6077 12.6321 12.6321 k = 0.1445 0.4013 0.7317 ( 3758 PWs) bands (ev): -14.4345 -14.4345 -14.4344 -14.4344 -14.0618 -14.0618 -14.0616 -14.0616 -13.4254 -13.4254 -13.4250 -13.4250 -13.1328 -13.1328 -13.1312 -13.1312 -12.9854 -12.9854 -12.9836 -12.9836 -6.2132 -6.2132 -6.2129 -6.2129 -1.2268 -1.2268 -1.2255 -1.2255 3.9849 3.9849 4.0064 4.0064 4.9523 4.9523 4.9718 4.9718 7.4364 7.4364 7.6665 7.6665 9.8129 9.8129 10.0795 10.0795 12.5866 12.5866 12.6149 12.6149 k = 0.1379 0.3831 0.7317 ( 3752 PWs) bands (ev): -14.4346 -14.4346 -14.4344 -14.4344 -14.0618 -14.0618 -14.0617 -14.0617 -13.4254 -13.4254 -13.4250 -13.4250 -13.1327 -13.1327 -13.1311 -13.1311 -12.9856 -12.9856 -12.9838 -12.9838 -6.2191 -6.2191 -6.2188 -6.2188 -1.2317 -1.2317 -1.2304 -1.2304 3.9800 3.9800 4.0011 4.0011 4.9855 4.9855 5.0034 5.0034 7.4935 7.4935 7.7244 7.7244 9.8242 9.8242 10.0960 10.0960 12.5625 12.5625 12.5947 12.5947 k = 0.1314 0.3648 0.7317 ( 3748 PWs) bands (ev): -14.4346 -14.4346 -14.4345 -14.4345 -14.0619 -14.0619 -14.0617 -14.0617 -13.4254 -13.4254 -13.4250 -13.4250 -13.1326 -13.1326 -13.1311 -13.1311 -12.9857 -12.9857 -12.9840 -12.9840 -6.2251 -6.2251 -6.2248 -6.2248 -1.2368 -1.2368 -1.2355 -1.2355 3.9746 3.9746 3.9951 3.9951 5.0203 5.0203 5.0367 5.0367 7.5552 7.5552 7.7870 7.7870 9.8324 9.8324 10.1095 10.1095 12.5352 12.5352 12.5714 12.5714 k = 0.1248 0.3466 0.7317 ( 3750 PWs) bands (ev): -14.4346 -14.4346 -14.4345 -14.4345 -14.0620 -14.0620 -14.0618 -14.0618 -13.4253 -13.4253 -13.4249 -13.4249 -13.1325 -13.1325 -13.1311 -13.1311 -12.9858 -12.9858 -12.9842 -12.9842 -6.2310 -6.2310 -6.2307 -6.2307 -1.2422 -1.2422 -1.2409 -1.2409 3.9687 3.9687 3.9886 3.9886 5.0565 5.0565 5.0715 5.0715 7.6210 7.6210 7.8541 7.8541 9.8373 9.8373 10.1197 10.1197 12.5047 12.5047 12.5447 12.5447 k = 0.1182 0.3284 0.7317 ( 3738 PWs) bands (ev): -14.4347 -14.4347 -14.4345 -14.4345 -14.0621 -14.0621 -14.0619 -14.0619 -13.4253 -13.4253 -13.4249 -13.4249 -13.1324 -13.1324 -13.1310 -13.1310 -12.9859 -12.9859 -12.9844 -12.9844 -6.2369 -6.2369 -6.2366 -6.2366 -1.2476 -1.2476 -1.2464 -1.2464 3.9625 3.9625 3.9816 3.9816 5.0939 5.0939 5.1076 5.1076 7.6908 7.6908 7.9255 7.9255 9.8388 9.8388 10.1266 10.1266 12.4707 12.4707 12.5144 12.5144 k = 0.1116 0.3101 0.7317 ( 3742 PWs) bands (ev): -14.4347 -14.4347 -14.4346 -14.4346 -14.0621 -14.0621 -14.0620 -14.0620 -13.4252 -13.4252 -13.4249 -13.4249 -13.1324 -13.1324 -13.1310 -13.1310 -12.9860 -12.9860 -12.9846 -12.9846 -6.2427 -6.2427 -6.2424 -6.2424 -1.2532 -1.2532 -1.2520 -1.2520 3.9560 3.9560 3.9743 3.9743 5.1320 5.1320 5.1445 5.1445 7.7642 7.7642 8.0007 8.0007 9.8369 9.8369 10.1301 10.1301 12.4334 12.4334 12.4806 12.4806 k = 0.1051 0.2919 0.7317 ( 3750 PWs) bands (ev): -14.4347 -14.4347 -14.4346 -14.4346 -14.0622 -14.0622 -14.0621 -14.0621 -13.4252 -13.4252 -13.4249 -13.4249 -13.1323 -13.1323 -13.1309 -13.1309 -12.9862 -12.9862 -12.9848 -12.9848 -6.2485 -6.2485 -6.2482 -6.2482 -1.2588 -1.2588 -1.2576 -1.2576 3.9493 3.9493 3.9667 3.9667 5.1707 5.1707 5.1821 5.1821 7.8408 7.8408 8.0795 8.0795 9.8316 9.8316 10.1301 10.1301 12.3928 12.3928 12.4432 12.4432 k = 0.0985 0.2736 0.7317 ( 3750 PWs) bands (ev): -14.4348 -14.4348 -14.4346 -14.4346 -14.0623 -14.0623 -14.0621 -14.0621 -13.4251 -13.4251 -13.4249 -13.4249 -13.1322 -13.1322 -13.1309 -13.1309 -12.9863 -12.9863 -12.9850 -12.9850 -6.2540 -6.2540 -6.2537 -6.2537 -1.2644 -1.2644 -1.2632 -1.2632 3.9425 3.9425 3.9589 3.9589 5.2097 5.2097 5.2200 5.2200 7.9202 7.9202 8.1614 8.1614 9.8229 9.8229 10.1266 10.1266 12.3492 12.3492 12.4023 12.4023 k = 0.0919 0.2554 0.7317 ( 3748 PWs) bands (ev): -14.4348 -14.4348 -14.4347 -14.4347 -14.0623 -14.0623 -14.0622 -14.0622 -13.4251 -13.4251 -13.4249 -13.4249 -13.1321 -13.1321 -13.1309 -13.1309 -12.9864 -12.9864 -12.9852 -12.9852 -6.2594 -6.2594 -6.2591 -6.2591 -1.2699 -1.2699 -1.2687 -1.2687 3.9357 3.9357 3.9511 3.9511 5.2485 5.2485 5.2579 5.2579 8.0020 8.0020 8.2460 8.2460 9.8108 9.8108 10.1194 10.1194 12.3028 12.3028 12.3581 12.3581 k = 0.0854 0.2371 0.7317 ( 3744 PWs) bands (ev): -14.4348 -14.4348 -14.4347 -14.4347 -14.0624 -14.0624 -14.0623 -14.0623 -13.4251 -13.4251 -13.4249 -13.4249 -13.1320 -13.1320 -13.1309 -13.1309 -12.9865 -12.9865 -12.9854 -12.9854 -6.2645 -6.2645 -6.2643 -6.2643 -1.2752 -1.2752 -1.2742 -1.2742 3.9289 3.9289 3.9433 3.9433 5.2869 5.2869 5.2954 5.2954 8.0857 8.0857 8.3328 8.3328 9.7954 9.7954 10.1086 10.1086 12.2541 12.2541 12.3111 12.3111 k = 0.0788 0.2189 0.7317 ( 3744 PWs) bands (ev): -14.4348 -14.4348 -14.4347 -14.4347 -14.0625 -14.0625 -14.0623 -14.0623 -13.4250 -13.4250 -13.4249 -13.4249 -13.1319 -13.1319 -13.1309 -13.1309 -12.9866 -12.9866 -12.9856 -12.9856 -6.2694 -6.2694 -6.2692 -6.2692 -1.2804 -1.2804 -1.2794 -1.2794 3.9223 3.9223 3.9356 3.9356 5.3245 5.3245 5.3322 5.3322 8.1710 8.1710 8.4213 8.4213 9.7768 9.7768 10.0942 10.0942 12.2038 12.2038 12.2618 12.2618 k = 0.0722 0.2007 0.7317 ( 3748 PWs) bands (ev): -14.4349 -14.4349 -14.4347 -14.4347 -14.0625 -14.0625 -14.0624 -14.0624 -13.4250 -13.4250 -13.4249 -13.4249 -13.1318 -13.1318 -13.1309 -13.1309 -12.9867 -12.9867 -12.9858 -12.9858 -6.2740 -6.2740 -6.2738 -6.2738 -1.2853 -1.2853 -1.2844 -1.2844 3.9160 3.9160 3.9282 3.9282 5.3610 5.3610 5.3679 5.3679 8.2571 8.2571 8.5107 8.5107 9.7551 9.7551 10.0759 10.0759 12.1524 12.1524 12.2108 12.2108 k = 0.0657 0.1824 0.7317 ( 3748 PWs) bands (ev): -14.4349 -14.4349 -14.4348 -14.4348 -14.0626 -14.0626 -14.0625 -14.0625 -13.4250 -13.4250 -13.4248 -13.4248 -13.1317 -13.1317 -13.1308 -13.1308 -12.9867 -12.9867 -12.9859 -12.9859 -6.2783 -6.2783 -6.2781 -6.2781 -1.2900 -1.2900 -1.2891 -1.2891 3.9100 3.9100 3.9210 3.9210 5.3960 5.3960 5.4021 5.4021 8.3437 8.3437 8.6005 8.6005 9.7307 9.7307 10.0540 10.0540 12.1009 12.1009 12.1588 12.1588 k = 0.0591 0.1642 0.7317 ( 3752 PWs) bands (ev): -14.4349 -14.4349 -14.4348 -14.4348 -14.0626 -14.0626 -14.0625 -14.0625 -13.4249 -13.4249 -13.4248 -13.4248 -13.1317 -13.1317 -13.1308 -13.1308 -12.9868 -12.9868 -12.9861 -12.9861 -6.2823 -6.2823 -6.2821 -6.2821 -1.2943 -1.2943 -1.2935 -1.2935 3.9043 3.9043 3.9143 3.9143 5.4291 5.4291 5.4346 5.4346 8.4302 8.4302 8.6896 8.6896 9.7040 9.7040 10.0282 10.0282 12.0503 12.0503 12.1067 12.1067 k = 0.0525 0.1459 0.7317 ( 3758 PWs) bands (ev): -14.4349 -14.4349 -14.4348 -14.4348 -14.0627 -14.0627 -14.0626 -14.0626 -13.4249 -13.4249 -13.4248 -13.4248 -13.1316 -13.1316 -13.1309 -13.1309 -12.9869 -12.9869 -12.9862 -12.9862 -6.2859 -6.2859 -6.2858 -6.2858 -1.2983 -1.2983 -1.2975 -1.2975 3.8992 3.8992 3.9080 3.9080 5.4600 5.4600 5.4648 5.4648 8.5160 8.5160 8.7771 8.7771 9.6754 9.6754 9.9986 9.9986 12.0014 12.0014 12.0556 12.0556 k = 0.0460 0.1277 0.7317 ( 3758 PWs) bands (ev): -14.4349 -14.4349 -14.4349 -14.4349 -14.0627 -14.0627 -14.0626 -14.0626 -13.4249 -13.4249 -13.4248 -13.4248 -13.1315 -13.1315 -13.1309 -13.1309 -12.9869 -12.9869 -12.9863 -12.9863 -6.2892 -6.2892 -6.2890 -6.2890 -1.3018 -1.3018 -1.3012 -1.3012 3.8945 3.8945 3.9023 3.9023 5.4883 5.4883 5.4924 5.4924 8.6004 8.6004 8.8614 8.8614 9.6458 9.6458 9.9651 9.9651 11.9556 11.9556 12.0064 12.0064 k = 0.0394 0.1095 0.7317 ( 3754 PWs) bands (ev): -14.4349 -14.4349 -14.4349 -14.4349 -14.0627 -14.0627 -14.0627 -14.0627 -13.4249 -13.4249 -13.4248 -13.4248 -13.1314 -13.1314 -13.1309 -13.1309 -12.9869 -12.9869 -12.9865 -12.9865 -6.2920 -6.2920 -6.2919 -6.2919 -1.3050 -1.3050 -1.3044 -1.3044 3.8905 3.8905 3.8971 3.8971 5.5137 5.5137 5.5172 5.5172 8.6827 8.6827 8.9406 8.9406 9.6168 9.6168 9.9278 9.9278 11.9137 11.9137 11.9601 11.9601 k = 0.0328 0.0912 0.7317 ( 3754 PWs) bands (ev): -14.4350 -14.4350 -14.4349 -14.4349 -14.0628 -14.0628 -14.0627 -14.0627 -13.4248 -13.4248 -13.4248 -13.4248 -13.1314 -13.1314 -13.1309 -13.1309 -12.9870 -12.9870 -12.9866 -12.9866 -6.2945 -6.2945 -6.2944 -6.2944 -1.3077 -1.3077 -1.3072 -1.3072 3.8870 3.8870 3.8925 3.8925 5.5358 5.5358 5.5387 5.5387 8.7624 8.7624 9.0115 9.0115 9.5907 9.5907 9.8867 9.8867 11.8770 11.8770 11.9178 11.9178 k = 0.0263 0.0730 0.7317 ( 3754 PWs) bands (ev): -14.4350 -14.4350 -14.4349 -14.4349 -14.0628 -14.0628 -14.0628 -14.0628 -13.4248 -13.4248 -13.4248 -13.4248 -13.1313 -13.1313 -13.1309 -13.1309 -12.9870 -12.9870 -12.9867 -12.9867 -6.2965 -6.2965 -6.2964 -6.2964 -1.3099 -1.3099 -1.3096 -1.3096 3.8843 3.8843 3.8887 3.8887 5.5543 5.5543 5.5566 5.5566 8.8384 8.8384 9.0696 9.0696 9.5715 9.5715 9.8420 9.8420 11.8463 11.8463 11.8806 11.8806 k = 0.0197 0.0547 0.7317 ( 3754 PWs) bands (ev): -14.4350 -14.4350 -14.4349 -14.4349 -14.0628 -14.0628 -14.0628 -14.0628 -13.4248 -13.4248 -13.4248 -13.4248 -13.1312 -13.1312 -13.1310 -13.1310 -12.9870 -12.9870 -12.9867 -12.9867 -6.2981 -6.2981 -6.2980 -6.2980 -1.3117 -1.3117 -1.3114 -1.3114 3.8822 3.8822 3.8855 3.8855 5.5691 5.5691 5.5708 5.5708 8.9099 8.9099 9.1087 9.1087 9.5648 9.5648 9.7942 9.7942 11.8226 11.8226 11.8493 11.8493 k = 0.0131 0.0365 0.7317 ( 3758 PWs) bands (ev): -14.4350 -14.4350 -14.4349 -14.4349 -14.0628 -14.0628 -14.0628 -14.0628 -13.4248 -13.4248 -13.4248 -13.4248 -13.1312 -13.1312 -13.1310 -13.1310 -12.9870 -12.9870 -12.9868 -12.9868 -6.2992 -6.2992 -6.2992 -6.2992 -1.3129 -1.3129 -1.3128 -1.3128 3.8808 3.8808 3.8830 3.8830 5.5799 5.5799 5.5810 5.5810 8.9754 8.9754 9.1231 9.1231 9.5756 9.5756 9.7442 9.7442 11.8066 11.8066 11.8249 11.8249 k = 0.0066 0.0182 0.7317 ( 3754 PWs) bands (ev): -14.4350 -14.4350 -14.4350 -14.4350 -14.0628 -14.0628 -14.0628 -14.0628 -13.4248 -13.4248 -13.4248 -13.4248 -13.1311 -13.1311 -13.1310 -13.1310 -12.9870 -12.9870 -12.9869 -12.9869 -6.2999 -6.2999 -6.2999 -6.2999 -1.3137 -1.3137 -1.3136 -1.3136 3.8803 3.8803 3.8814 3.8814 5.5865 5.5865 5.5871 5.5871 9.0332 9.0332 9.1122 9.1122 9.6041 9.6041 9.6937 9.6937 11.7987 11.7987 11.8080 11.8080 k = 0.0000 0.0000 0.7317 ( 3754 PWs) bands (ev): -14.4350 -14.4350 -14.4350 -14.4350 -14.0628 -14.0628 -14.0628 -14.0628 -13.4248 -13.4248 -13.4248 -13.4248 -13.1311 -13.1311 -13.1311 -13.1311 -12.9869 -12.9869 -12.9869 -12.9869 -6.3001 -6.3001 -6.3001 -6.3001 -1.3139 -1.3139 -1.3139 -1.3139 3.8804 3.8804 3.8804 3.8804 5.5890 5.5890 5.5890 5.5890 9.0803 9.0803 9.0803 9.0803 9.6455 9.6455 9.6455 9.6455 11.7992 11.7992 11.7992 11.7992 k = 0.0000 0.0000 0.7317 ( 3754 PWs) bands (ev): -14.4350 -14.4350 -14.4350 -14.4350 -14.0628 -14.0628 -14.0628 -14.0628 -13.4248 -13.4248 -13.4248 -13.4248 -13.1311 -13.1311 -13.1311 -13.1311 -12.9869 -12.9869 -12.9869 -12.9869 -6.3001 -6.3001 -6.3001 -6.3001 -1.3139 -1.3139 -1.3139 -1.3139 3.8804 3.8804 3.8804 3.8804 5.5890 5.5890 5.5890 5.5890 9.0803 9.0803 9.0803 9.0803 9.6455 9.6455 9.6455 9.6455 11.7992 11.7992 11.7992 11.7992 k = 0.0000 0.0000 0.7124 ( 3754 PWs) bands (ev): -14.4365 -14.4365 -14.4339 -14.4339 -14.0632 -14.0632 -14.0625 -14.0625 -13.4265 -13.4265 -13.4234 -13.4234 -13.1316 -13.1316 -13.1305 -13.1305 -12.9871 -12.9871 -12.9867 -12.9867 -6.3332 -6.3332 -6.2664 -6.2664 -1.3359 -1.3359 -1.2863 -1.2863 3.7897 3.7897 3.9712 3.9712 5.5578 5.5578 5.6155 5.6155 9.0208 9.0208 9.1396 9.1396 9.6116 9.6116 9.6877 9.6877 11.7674 11.7674 11.8077 11.8077 k = 0.0000 0.0000 0.6931 ( 3744 PWs) bands (ev): -14.4384 -14.4384 -14.4334 -14.4334 -14.0635 -14.0635 -14.0621 -14.0621 -13.4284 -13.4284 -13.4224 -13.4224 -13.1321 -13.1321 -13.1298 -13.1298 -12.9873 -12.9873 -12.9865 -12.9865 -6.3655 -6.3655 -6.2323 -6.2323 -1.3521 -1.3521 -1.2531 -1.2531 3.6993 3.6993 4.0617 4.0617 5.5224 5.5224 5.6372 5.6372 8.9619 8.9619 9.1982 9.1982 9.5865 9.5865 9.7377 9.7377 11.7097 11.7097 11.7962 11.7962 k = 0.0000 0.0000 0.6739 ( 3758 PWs) bands (ev): -14.4409 -14.4409 -14.4333 -14.4333 -14.0639 -14.0639 -14.0617 -14.0617 -13.4307 -13.4307 -13.4217 -13.4217 -13.1325 -13.1325 -13.1291 -13.1291 -12.9875 -12.9875 -12.9863 -12.9863 -6.3971 -6.3971 -6.1978 -6.1978 -1.3625 -1.3625 -1.2144 -1.2144 3.6095 3.6095 4.1515 4.1515 5.4832 5.4832 5.6538 5.6538 8.9039 8.9039 9.2546 9.2546 9.5705 9.5705 9.7949 9.7949 11.6253 11.6253 11.7685 11.7685 k = 0.0000 0.0000 0.6546 ( 3760 PWs) bands (ev): -14.4437 -14.4437 -14.4337 -14.4337 -14.0642 -14.0642 -14.0613 -14.0613 -13.4332 -13.4332 -13.4213 -13.4213 -13.1329 -13.1329 -13.1283 -13.1283 -12.9877 -12.9877 -12.9862 -12.9862 -6.4279 -6.4279 -6.1630 -6.1630 -1.3669 -1.3669 -1.1703 -1.1703 3.5204 3.5204 4.2404 4.2404 5.4406 5.4406 5.6651 5.6651 8.8470 8.8470 9.3075 9.3075 9.5641 9.5641 9.8588 9.8588 11.5150 11.5150 11.7288 11.7288 k = 0.0000 0.0000 0.6354 ( 3752 PWs) bands (ev): -14.4470 -14.4470 -14.4345 -14.4345 -14.0645 -14.0645 -14.0609 -14.0609 -13.4359 -13.4359 -13.4212 -13.4212 -13.1332 -13.1332 -13.1275 -13.1275 -12.9879 -12.9879 -12.9860 -12.9860 -6.4577 -6.4577 -6.1280 -6.1280 -1.3654 -1.3654 -1.1209 -1.1209 3.4324 3.4324 4.3280 4.3280 5.3952 5.3952 5.6711 5.6711 8.7914 8.7914 9.3547 9.3547 9.5671 9.5671 9.9290 9.9290 11.3817 11.3817 11.6814 11.6814 k = 0.0000 0.0000 0.6161 ( 3756 PWs) bands (ev): -14.4506 -14.4506 -14.4359 -14.4359 -14.0647 -14.0647 -14.0604 -14.0604 -13.4388 -13.4388 -13.4215 -13.4215 -13.1335 -13.1335 -13.1267 -13.1267 -12.9881 -12.9881 -12.9858 -12.9858 -6.4865 -6.4865 -6.0931 -6.0931 -1.3579 -1.3579 -1.0663 -1.0663 3.3457 3.3457 4.4137 4.4137 5.3473 5.3473 5.6718 5.6718 8.7368 8.7368 9.3935 9.3935 9.5797 9.5797 10.0048 10.0048 11.2299 11.2299 11.6303 11.6303 k = 0.0000 0.0000 0.5969 ( 3758 PWs) bands (ev): -14.4547 -14.4547 -14.4377 -14.4377 -14.0650 -14.0650 -14.0600 -14.0600 -13.4420 -13.4420 -13.4221 -13.4221 -13.1337 -13.1337 -13.1257 -13.1257 -12.9884 -12.9884 -12.9856 -12.9856 -6.5144 -6.5144 -6.0583 -6.0583 -1.3443 -1.3443 -1.0066 -1.0066 3.2603 3.2603 4.4971 4.4971 5.2974 5.2974 5.6675 5.6675 8.6830 8.6830 9.4207 9.4207 9.6016 9.6016 10.0857 10.0857 11.0652 11.0652 11.5796 11.5796 k = 0.0000 0.0000 0.5776 ( 3758 PWs) bands (ev): -14.4590 -14.4590 -14.4400 -14.4400 -14.0653 -14.0653 -14.0596 -14.0596 -13.4452 -13.4452 -13.4230 -13.4230 -13.1338 -13.1338 -13.1248 -13.1248 -12.9886 -12.9886 -12.9855 -12.9855 -6.5412 -6.5412 -6.0237 -6.0237 -1.3245 -1.3245 -0.9419 -0.9419 3.1764 3.1764 4.5779 4.5779 5.2460 5.2460 5.6584 5.6584 8.6294 8.6294 9.4325 9.4325 9.6328 9.6328 10.1705 10.1705 10.8941 10.8941 11.5334 11.5334 k = 0.0000 0.0000 0.5584 ( 3766 PWs) bands (ev): -14.4638 -14.4638 -14.4427 -14.4427 -14.0655 -14.0655 -14.0591 -14.0591 -13.4486 -13.4486 -13.4242 -13.4242 -13.1340 -13.1340 -13.1238 -13.1238 -12.9888 -12.9888 -12.9853 -12.9853 -6.5669 -6.5669 -5.9896 -5.9896 -1.2986 -1.2986 -0.8723 -0.8723 3.0943 3.0943 4.6553 4.6553 5.1934 5.1934 5.6448 5.6448 8.5750 8.5750 9.4256 9.4256 9.6722 9.6722 10.2554 10.2554 10.7257 10.7257 11.4958 11.4958 k = 0.0000 0.0000 0.5391 ( 3758 PWs) bands (ev): -14.4688 -14.4688 -14.4459 -14.4459 -14.0657 -14.0657 -14.0587 -14.0587 -13.4520 -13.4520 -13.4256 -13.4256 -13.1340 -13.1340 -13.1228 -13.1228 -12.9890 -12.9890 -12.9851 -12.9851 -6.5915 -6.5915 -5.9560 -5.9560 -1.2665 -1.2665 -0.7979 -0.7979 3.0140 3.0140 4.7290 4.7290 5.1401 5.1401 5.6271 5.6271 8.5184 8.5184 9.3972 9.3972 9.7182 9.7182 10.3228 10.3228 10.5833 10.5833 11.4699 11.4699 k = 0.0000 0.0000 0.5199 ( 3754 PWs) bands (ev): -14.4741 -14.4741 -14.4495 -14.4495 -14.0659 -14.0659 -14.0582 -14.0582 -13.4555 -13.4555 -13.4274 -13.4274 -13.1340 -13.1340 -13.1217 -13.1217 -12.9892 -12.9892 -12.9850 -12.9850 -6.6150 -6.6150 -5.9230 -5.9230 -1.2282 -1.2282 -0.7188 -0.7188 2.9357 2.9357 4.7984 4.7984 5.0864 5.0864 5.6058 5.6058 8.4575 8.4575 9.3456 9.3456 9.7678 9.7678 10.2960 10.2960 10.5513 10.5513 11.4583 11.4583 k = 0.0000 0.0000 0.5006 ( 3754 PWs) bands (ev): -14.4796 -14.4796 -14.4534 -14.4534 -14.0661 -14.0661 -14.0578 -14.0578 -13.4590 -13.4590 -13.4293 -13.4293 -13.1340 -13.1340 -13.1206 -13.1206 -12.9894 -12.9894 -12.9849 -12.9849 -6.6374 -6.6374 -5.8908 -5.8908 -1.1837 -1.1837 -0.6351 -0.6351 2.8595 2.8595 4.8627 4.8627 5.0328 5.0328 5.5813 5.5813 8.3896 8.3896 9.2701 9.2701 9.8128 9.8128 10.1885 10.1885 10.6280 10.6280 11.4619 11.4619 k = 0.0000 0.0000 0.4814 ( 3760 PWs) bands (ev): -14.4854 -14.4854 -14.4577 -14.4577 -14.0663 -14.0663 -14.0573 -14.0573 -13.4625 -13.4625 -13.4315 -13.4315 -13.1339 -13.1339 -13.1195 -13.1195 -12.9896 -12.9896 -12.9847 -12.9847 -6.6587 -6.6587 -5.8594 -5.8594 -1.1331 -1.1331 -0.5471 -0.5471 2.7854 2.7854 4.9204 4.9204 4.9806 4.9806 5.5542 5.5542 8.3115 8.3115 9.1716 9.1716 9.8305 9.8305 10.1089 10.1089 10.7323 10.7323 11.4805 11.4805 k = 0.0000 0.0000 0.4621 ( 3764 PWs) bands (ev): -14.4913 -14.4913 -14.4624 -14.4624 -14.0665 -14.0665 -14.0569 -14.0569 -13.4659 -13.4659 -13.4339 -13.4339 -13.1338 -13.1338 -13.1184 -13.1184 -12.9898 -12.9898 -12.9846 -12.9846 -6.6790 -6.6790 -5.8291 -5.8291 -1.0764 -1.0764 -0.4547 -0.4547 2.7137 2.7137 4.9226 4.9226 4.9786 4.9786 5.5249 5.5249 8.2200 8.2200 9.0520 9.0520 9.7925 9.7925 10.1075 10.1075 10.8459 10.8459 11.5127 11.5127 k = 0.0000 0.0000 0.4428 ( 3763 PWs) bands (ev): -14.4973 -14.4973 -14.4673 -14.4673 -14.0666 -14.0666 -14.0564 -14.0564 -13.4693 -13.4693 -13.4364 -13.4364 -13.1337 -13.1337 -13.1173 -13.1173 -12.9900 -12.9900 -12.9845 -12.9845 -6.6981 -6.6981 -5.7998 -5.7998 -1.0137 -1.0137 -0.3583 -0.3583 2.6443 2.6443 4.8717 4.8717 5.0239 5.0239 5.4939 5.4939 8.1128 8.1128 8.9144 8.9144 9.7274 9.7274 10.1625 10.1625 10.9646 10.9646 11.5567 11.5567 k = 0.0000 0.0000 0.4236 ( 3757 PWs) bands (ev): -14.5035 -14.5035 -14.4725 -14.4725 -14.0667 -14.0667 -14.0560 -14.0560 -13.4726 -13.4726 -13.4391 -13.4391 -13.1336 -13.1336 -13.1162 -13.1162 -12.9901 -12.9901 -12.9844 -12.9844 -6.7162 -6.7162 -5.7717 -5.7717 -0.9451 -0.9451 -0.2579 -0.2579 2.5773 2.5773 4.8205 4.8205 5.0637 5.0637 5.4616 5.4616 7.9887 7.9887 8.7618 8.7618 9.6708 9.6708 10.2406 10.2406 11.0864 11.0864 11.6101 11.6101 k = 0.0000 0.0000 0.4043 ( 3765 PWs) bands (ev): -14.5098 -14.5098 -14.4779 -14.4779 -14.0669 -14.0669 -14.0555 -14.0555 -13.4758 -13.4758 -13.4418 -13.4418 -13.1334 -13.1334 -13.1150 -13.1150 -12.9903 -12.9903 -12.9843 -12.9843 -6.7332 -6.7332 -5.7447 -5.7447 -0.8709 -0.8709 -0.1537 -0.1537 2.5129 2.5129 4.7703 4.7703 5.0961 5.0961 5.4285 5.4285 7.8488 7.8488 8.5973 8.5973 9.6344 9.6344 10.3298 10.3298 11.2100 11.2100 11.6710 11.6710 k = 0.0000 0.0000 0.3851 ( 3763 PWs) bands (ev): -14.5160 -14.5160 -14.4835 -14.4835 -14.0670 -14.0670 -14.0551 -14.0551 -13.4788 -13.4788 -13.4447 -13.4447 -13.1332 -13.1332 -13.1139 -13.1139 -12.9905 -12.9905 -12.9842 -12.9842 -6.7492 -6.7492 -5.7191 -5.7191 -0.7911 -0.7911 -0.0460 -0.0460 2.4511 2.4511 4.7214 4.7214 5.1207 5.1207 5.3951 5.3951 7.6958 7.6958 8.4236 8.4236 9.6203 9.6203 10.4258 10.4258 11.3337 11.3337 11.7378 11.7378 k = 0.0000 0.0000 0.3658 ( 3763 PWs) bands (ev): -14.5223 -14.5223 -14.4892 -14.4892 -14.0671 -14.0671 -14.0547 -14.0547 -13.4817 -13.4817 -13.4476 -13.4476 -13.1330 -13.1330 -13.1128 -13.1128 -12.9907 -12.9907 -12.9841 -12.9841 -6.7642 -6.7642 -5.6947 -5.6947 -0.7060 -0.7060 0.0649 0.0649 2.3920 2.3920 4.6740 4.6740 5.1368 5.1368 5.3616 5.3616 7.5333 7.5333 8.2429 8.2429 9.6275 9.6275 10.5266 10.5266 11.4553 11.4553 11.8094 11.8094 k = 0.0000 0.0000 0.3466 ( 3765 PWs) bands (ev): -14.5285 -14.5285 -14.4951 -14.4951 -14.0671 -14.0671 -14.0543 -14.0543 -13.4844 -13.4844 -13.4506 -13.4506 -13.1328 -13.1328 -13.1117 -13.1117 -12.9909 -12.9909 -12.9840 -12.9840 -6.7782 -6.7782 -5.6717 -5.6717 -0.6158 -0.6158 0.1789 0.1789 2.3356 2.3356 4.6282 4.6282 5.1438 5.1438 5.3286 5.3286 7.3653 7.3653 8.0571 8.0571 9.6537 9.6537 10.6309 10.6309 11.5715 11.5715 11.8863 11.8863 k = 0.0000 0.0000 0.3273 ( 3767 PWs) bands (ev): -14.5346 -14.5346 -14.5009 -14.5009 -14.0672 -14.0672 -14.0539 -14.0539 -13.4870 -13.4870 -13.4536 -13.4536 -13.1325 -13.1325 -13.1106 -13.1106 -12.9910 -12.9910 -12.9839 -12.9839 -6.7913 -6.7913 -5.6501 -5.6501 -0.5209 -0.5209 0.2956 0.2956 2.2820 2.2820 4.5842 4.5842 5.1408 5.1408 5.2961 5.2961 7.1958 7.1958 7.8679 7.8679 9.6964 9.6964 10.7377 10.7377 11.6773 11.6773 11.9703 11.9703 k = 0.0000 0.0000 0.3081 ( 3761 PWs) bands (ev): -14.5407 -14.5407 -14.5068 -14.5068 -14.0673 -14.0673 -14.0535 -14.0535 -13.4893 -13.4893 -13.4566 -13.4566 -13.1323 -13.1323 -13.1096 -13.1096 -12.9912 -12.9912 -12.9839 -12.9839 -6.8035 -6.8035 -5.6298 -5.6298 -0.4216 -0.4216 0.4146 0.4146 2.2313 2.2313 4.5422 4.5422 5.1273 5.1273 5.2642 5.2642 7.0286 7.0286 7.6767 7.6767 9.7535 9.7535 10.8464 10.8464 11.7668 11.7668 12.0644 12.0644 k = 0.0000 0.0000 0.2888 ( 3761 PWs) bands (ev): -14.5465 -14.5465 -14.5126 -14.5126 -14.0673 -14.0673 -14.0531 -14.0531 -13.4914 -13.4914 -13.4596 -13.4596 -13.1320 -13.1320 -13.1086 -13.1086 -12.9913 -12.9913 -12.9838 -12.9838 -6.8148 -6.8148 -5.6109 -5.6109 -0.3183 -0.3183 0.5355 0.5355 2.1834 2.1834 4.5022 4.5022 5.1026 5.1026 5.2329 5.2329 6.8673 6.8673 7.4848 7.4848 9.8228 9.8228 10.9559 10.9559 11.8364 11.8364 12.1700 12.1700 k = 0.0000 0.0000 0.2696 ( 3771 PWs) bands (ev): -14.5522 -14.5522 -14.5183 -14.5183 -14.0674 -14.0674 -14.0528 -14.0528 -13.4934 -13.4934 -13.4625 -13.4625 -13.1318 -13.1318 -13.1076 -13.1076 -12.9915 -12.9915 -12.9838 -12.9838 -6.8252 -6.8252 -5.5933 -5.5933 -0.2116 -0.2116 0.6579 0.6579 2.1385 2.1385 4.4643 4.4643 5.0659 5.0659 5.2020 5.2020 6.7152 6.7152 7.2935 7.2935 9.9024 9.9024 11.0657 11.0657 11.8865 11.8865 12.2847 12.2847 k = 0.0000 0.0000 0.2503 ( 3771 PWs) bands (ev): -14.5576 -14.5576 -14.5239 -14.5239 -14.0674 -14.0674 -14.0524 -14.0524 -13.4951 -13.4951 -13.4654 -13.4654 -13.1315 -13.1315 -13.1067 -13.1067 -12.9916 -12.9916 -12.9837 -12.9837 -6.8348 -6.8348 -5.5771 -5.5771 -0.1020 -0.1020 0.7810 0.7810 2.0966 2.0966 4.4287 4.4287 5.0159 5.0159 5.1717 5.1717 6.5754 6.5754 7.1040 7.1040 9.9907 9.9907 11.1748 11.1748 11.9202 11.9202 12.4046 12.4046 k = 0.0000 0.0000 0.2310 ( 3775 PWs) bands (ev): -14.5628 -14.5628 -14.5293 -14.5293 -14.0675 -14.0675 -14.0521 -14.0521 -13.4966 -13.4966 -13.4681 -13.4681 -13.1313 -13.1313 -13.1058 -13.1058 -12.9917 -12.9917 -12.9837 -12.9837 -6.8435 -6.8435 -5.5622 -5.5622 0.0098 0.0098 0.9044 0.9044 2.0578 2.0578 4.3954 4.3954 4.9519 4.9519 5.1428 5.1428 6.4502 6.4502 6.9176 6.9176 10.0860 10.0860 11.2825 11.2825 11.9411 11.9411 12.5256 12.5256 k = 0.0000 0.0000 0.2118 ( 3763 PWs) bands (ev): -14.5677 -14.5677 -14.5344 -14.5344 -14.0675 -14.0675 -14.0518 -14.0518 -13.4979 -13.4979 -13.4708 -13.4708 -13.1311 -13.1311 -13.1050 -13.1050 -12.9919 -12.9919 -12.9836 -12.9836 -6.8515 -6.8515 -5.5487 -5.5487 0.1230 0.1230 1.0270 1.0270 2.0221 2.0221 4.3645 4.3645 4.8737 4.8737 5.1157 5.1157 6.3413 6.3413 6.7355 6.7355 10.1866 10.1866 11.3877 11.3877 11.9526 11.9526 12.6441 12.6441 k = 0.0000 0.0000 0.1925 ( 3771 PWs) bands (ev): -14.5722 -14.5722 -14.5393 -14.5393 -14.0675 -14.0675 -14.0515 -14.0515 -13.4990 -13.4990 -13.4734 -13.4734 -13.1308 -13.1308 -13.1042 -13.1042 -12.9920 -12.9920 -12.9836 -12.9836 -6.8587 -6.8587 -5.5364 -5.5364 0.2366 0.2366 1.1481 1.1481 1.9895 1.9895 4.3360 4.3360 4.7825 4.7825 5.0907 5.0907 6.2489 6.2489 6.5590 6.5590 10.2909 10.2909 11.4896 11.4896 11.9573 11.9573 12.7567 12.7567 k = 0.0000 0.0000 0.1733 ( 3771 PWs) bands (ev): -14.5765 -14.5765 -14.5438 -14.5438 -14.0675 -14.0675 -14.0513 -14.0513 -13.4999 -13.4999 -13.4759 -13.4759 -13.1306 -13.1306 -13.1035 -13.1035 -12.9921 -12.9921 -12.9835 -12.9835 -6.8652 -6.8652 -5.5254 -5.5254 0.3494 0.3494 1.2663 1.2663 1.9602 1.9602 4.3100 4.3100 4.6811 4.6811 5.0678 5.0678 6.1724 6.1724 6.3898 6.3898 10.3972 10.3972 11.5871 11.5871 11.9573 11.9573 12.8595 12.8595 k = 0.0000 0.0000 0.1540 ( 3767 PWs) bands (ev): -14.5803 -14.5803 -14.5480 -14.5480 -14.0676 -14.0676 -14.0511 -14.0511 -13.5006 -13.5006 -13.4782 -13.4782 -13.1304 -13.1304 -13.1028 -13.1028 -12.9922 -12.9922 -12.9835 -12.9835 -6.8709 -6.8709 -5.5156 -5.5156 0.4600 0.4600 1.3802 1.3802 1.9342 1.9342 4.2865 4.2865 4.5730 4.5730 5.0473 5.0473 6.1100 6.1100 6.2293 6.2293 10.5036 10.5036 11.6789 11.6789 11.9546 11.9546 12.9493 12.9493 k = 0.0000 0.0000 0.1348 ( 3769 PWs) bands (ev): -14.5837 -14.5837 -14.5518 -14.5518 -14.0676 -14.0676 -14.0509 -14.0509 -13.5012 -13.5012 -13.4804 -13.4804 -13.1303 -13.1303 -13.1022 -13.1022 -12.9922 -12.9922 -12.9835 -12.9835 -6.8759 -6.8759 -5.5071 -5.5071 0.5667 0.5667 1.4882 1.4882 1.9117 1.9117 4.2653 4.2653 4.4626 4.4626 5.0291 5.0291 6.0591 6.0591 6.0804 6.0804 10.6078 10.6078 11.7638 11.7638 11.9503 11.9503 13.0236 13.0236 k = 0.0000 0.0000 0.1155 ( 3769 PWs) bands (ev): -14.5867 -14.5867 -14.5552 -14.5552 -14.0676 -14.0676 -14.0507 -14.0507 -13.5015 -13.5015 -13.4823 -13.4823 -13.1301 -13.1301 -13.1017 -13.1017 -12.9923 -12.9923 -12.9835 -12.9835 -6.8802 -6.8802 -5.4997 -5.4997 0.6675 0.6675 1.5881 1.5881 1.8930 1.8930 4.2458 4.2458 4.3550 4.3550 5.0132 5.0132 5.9414 5.9414 6.0212 6.0212 10.7075 10.7075 11.8400 11.8400 11.9462 11.9462 13.0793 13.0793 k = 0.0000 0.0000 0.0963 ( 3789 PWs) bands (ev): -14.5893 -14.5893 -14.5580 -14.5580 -14.0676 -14.0676 -14.0505 -14.0505 -13.5018 -13.5018 -13.4841 -13.4841 -13.1300 -13.1300 -13.1013 -13.1013 -12.9924 -12.9924 -12.9834 -12.9834 -6.8839 -6.8839 -5.4935 -5.4935 0.7600 0.7600 1.6771 1.6771 1.8788 1.8788 4.2212 4.2212 4.2615 4.2615 4.9997 4.9997 5.8191 5.8191 5.9902 5.9902 10.8000 10.8000 11.9023 11.9023 11.9466 11.9466 13.1152 13.1152 k = 0.0000 0.0000 0.0770 ( 3793 PWs) bands (ev): -14.5914 -14.5914 -14.5604 -14.5604 -14.0676 -14.0676 -14.0504 -14.0504 -13.5019 -13.5019 -13.4856 -13.4856 -13.1299 -13.1299 -13.1009 -13.1009 -12.9924 -12.9924 -12.9834 -12.9834 -6.8868 -6.8868 -5.4885 -5.4885 0.8415 0.8415 1.7507 1.7507 1.8713 1.8713 4.1516 4.1516 4.2264 4.2264 4.9887 4.9887 5.7140 5.7140 5.9667 5.9667 10.8821 10.8821 11.9249 11.9249 11.9768 11.9768 13.1434 13.1434 k = 0.0000 0.0000 0.0578 ( 3795 PWs) bands (ev): -14.5931 -14.5931 -14.5623 -14.5623 -14.0676 -14.0676 -14.0503 -14.0503 -13.5019 -13.5019 -13.4868 -13.4868 -13.1298 -13.1298 -13.1007 -13.1007 -12.9925 -12.9925 -12.9834 -12.9834 -6.8891 -6.8891 -5.4846 -5.4846 0.9091 0.9091 1.7993 1.7993 1.8776 1.8776 4.0767 4.0767 4.2142 4.2142 4.9801 4.9801 5.6287 5.6287 5.9493 5.9493 10.9506 10.9506 11.9242 11.9242 12.0195 12.0195 13.1719 13.1719 k = 0.0000 0.0000 0.0385 ( 3799 PWs) bands (ev): -14.5943 -14.5943 -14.5637 -14.5637 -14.0676 -14.0676 -14.0502 -14.0502 -13.5019 -13.5019 -13.4878 -13.4878 -13.1297 -13.1297 -13.1005 -13.1005 -12.9925 -12.9925 -12.9834 -12.9834 -6.8907 -6.8907 -5.4818 -5.4818 0.9600 0.9600 1.8164 1.8164 1.9018 1.9018 4.0188 4.0188 4.2065 4.2065 4.9740 4.9740 5.5657 5.5657 5.9375 5.9375 11.0025 11.0025 11.9218 11.9218 12.0524 12.0524 13.1990 13.1990 k = 0.0000 0.0000 0.0193 ( 3799 PWs) bands (ev): -14.5950 -14.5950 -14.5645 -14.5645 -14.0676 -14.0676 -14.0502 -14.0502 -13.5018 -13.5018 -13.4883 -13.4883 -13.1297 -13.1297 -13.1003 -13.1003 -12.9925 -12.9925 -12.9834 -12.9834 -6.8917 -6.8917 -5.4802 -5.4802 0.9917 0.9917 1.8193 1.8193 1.9248 1.9248 3.9825 3.9825 4.2020 4.2020 4.9704 4.9704 5.5270 5.5270 5.9305 5.9305 11.0348 11.0348 11.9201 11.9201 12.0727 12.0727 13.2185 13.2185 k = 0.0000 0.0000 0.0000 ( 3791 PWs) bands (ev): -14.5953 -14.5953 -14.5648 -14.5648 -14.0676 -14.0676 -14.0502 -14.0502 -13.5018 -13.5018 -13.4885 -13.4885 -13.1296 -13.1296 -13.1003 -13.1003 -12.9925 -12.9925 -12.9834 -12.9834 -6.8920 -6.8920 -5.4796 -5.4796 1.0025 1.0025 1.8195 1.8195 1.9333 1.9333 3.9701 3.9701 4.2005 4.2005 4.9692 4.9692 5.5139 5.5139 5.9283 5.9283 11.0458 11.0458 11.9195 11.9195 12.0796 12.0796 13.2255 13.2255 k = 0.0000 0.0000 0.0000 ( 3791 PWs) bands (ev): -14.5953 -14.5953 -14.5648 -14.5648 -14.0676 -14.0676 -14.0502 -14.0502 -13.5018 -13.5018 -13.4885 -13.4885 -13.1296 -13.1296 -13.1003 -13.1003 -12.9925 -12.9925 -12.9834 -12.9834 -6.8920 -6.8920 -5.4796 -5.4796 1.0025 1.0025 1.8195 1.8195 1.9333 1.9333 3.9701 3.9701 4.2005 4.2005 4.9692 4.9692 5.5139 5.5139 5.9283 5.9283 11.0458 11.0458 11.9195 11.9195 12.0796 12.0796 13.2255 13.2255 k =-0.0179 0.0064-0.0000 ( 3791 PWs) bands (ev): -14.5952 -14.5952 -14.5648 -14.5648 -14.0676 -14.0676 -14.0502 -14.0502 -13.5018 -13.5018 -13.4886 -13.4886 -13.1296 -13.1296 -13.1003 -13.1003 -12.9925 -12.9925 -12.9834 -12.9834 -6.8912 -6.8912 -5.4810 -5.4810 1.0031 1.0031 1.8209 1.8209 1.9325 1.9325 3.9719 3.9719 4.1990 4.1990 4.9710 4.9710 5.4995 5.4995 5.9428 5.9428 11.0364 11.0364 11.9291 11.9291 12.0812 12.0812 13.2221 13.2221 k =-0.0357 0.0129-0.0000 ( 3796 PWs) bands (ev): -14.5952 -14.5952 -14.5649 -14.5649 -14.0676 -14.0676 -14.0502 -14.0502 -13.5018 -13.5018 -13.4886 -13.4886 -13.1296 -13.1296 -13.1004 -13.1004 -12.9925 -12.9925 -12.9834 -12.9834 -6.8889 -6.8889 -5.4850 -5.4850 1.0050 1.0050 1.8250 1.8250 1.9302 1.9302 3.9771 3.9771 4.1945 4.1945 4.9765 4.9765 5.4614 5.4614 5.9815 5.9815 11.0096 11.0096 11.9559 11.9559 12.0863 12.0863 13.2097 13.2097 k =-0.0536 0.0193-0.0000 ( 3792 PWs) bands (ev): -14.5951 -14.5951 -14.5650 -14.5650 -14.0675 -14.0675 -14.0503 -14.0503 -13.5017 -13.5017 -13.4886 -13.4886 -13.1295 -13.1295 -13.1005 -13.1005 -12.9924 -12.9924 -12.9834 -12.9834 -6.8849 -6.8849 -5.4917 -5.4917 1.0082 1.0082 1.8319 1.8319 1.9262 1.9262 3.9856 3.9856 4.1873 4.1873 4.9854 4.9854 5.4090 5.4090 6.0349 6.0349 10.9686 10.9686 11.9947 11.9947 12.0966 12.0966 13.1835 13.1835 k =-0.0714 0.0257-0.0000 ( 3784 PWs) bands (ev): -14.5949 -14.5949 -14.5651 -14.5651 -14.0674 -14.0674 -14.0504 -14.0504 -13.5017 -13.5017 -13.4887 -13.4887 -13.1293 -13.1293 -13.1007 -13.1007 -12.9924 -12.9924 -12.9835 -12.9835 -6.8794 -6.8794 -5.5010 -5.5010 1.0127 1.0127 1.8413 1.8413 1.9208 1.9208 3.9972 3.9972 4.1776 4.1776 4.9974 4.9974 5.3495 5.3495 6.0958 6.0958 10.9173 10.9173 12.0359 12.0359 12.1168 12.1168 13.1415 13.1415 k =-0.0893 0.0321-0.0000 ( 3788 PWs) bands (ev): -14.5947 -14.5947 -14.5653 -14.5653 -14.0673 -14.0673 -14.0505 -14.0505 -13.5016 -13.5016 -13.4888 -13.4888 -13.1292 -13.1292 -13.1009 -13.1009 -12.9923 -12.9923 -12.9835 -12.9835 -6.8724 -6.8724 -5.5129 -5.5129 1.0184 1.0184 1.8533 1.8533 1.9139 1.9139 4.0114 4.0114 4.1660 4.1660 5.0121 5.0121 5.2872 5.2872 6.1600 6.1600 10.8592 10.8592 12.0672 12.0672 12.1539 12.1539 13.0872 13.0872 k =-0.1071 0.0386-0.0000 ( 3782 PWs) bands (ev): -14.5944 -14.5944 -14.5655 -14.5655 -14.0671 -14.0671 -14.0506 -14.0506 -13.5015 -13.5015 -13.4889 -13.4889 -13.1289 -13.1289 -13.1012 -13.1012 -12.9922 -12.9922 -12.9836 -12.9836 -6.8638 -6.8638 -5.5272 -5.5272 1.0253 1.0253 1.8675 1.8675 1.9057 1.9057 4.0275 4.0275 4.1530 4.1530 5.0290 5.0290 5.2250 5.2250 6.2249 6.2249 10.7971 10.7971 12.0881 12.0881 12.2030 12.2030 13.0276 13.0276 k =-0.1250 0.0450-0.0000 ( 3788 PWs) bands (ev): -14.5941 -14.5941 -14.5658 -14.5658 -14.0669 -14.0669 -14.0508 -14.0508 -13.5014 -13.5014 -13.4891 -13.4891 -13.1287 -13.1287 -13.1015 -13.1015 -12.9921 -12.9921 -12.9836 -12.9836 -6.8538 -6.8538 -5.5439 -5.5439 1.0335 1.0335 1.8822 1.8822 1.8979 1.8979 4.0443 4.0443 4.1397 4.1397 5.0474 5.0474 5.1652 5.1652 6.2887 6.2887 10.7331 10.7331 12.1052 12.1052 12.2503 12.2503 12.9713 12.9713 k =-0.1429 0.0514-0.0000 ( 3776 PWs) bands (ev): -14.5938 -14.5938 -14.5661 -14.5661 -14.0668 -14.0668 -14.0510 -14.0510 -13.5013 -13.5013 -13.4892 -13.4892 -13.1284 -13.1284 -13.1018 -13.1018 -12.9919 -12.9919 -12.9837 -12.9837 -6.8422 -6.8422 -5.5628 -5.5628 1.0428 1.0428 1.8814 1.8814 1.9062 1.9062 4.0590 4.0590 4.1283 4.1283 5.0639 5.0639 5.1122 5.1122 6.3502 6.3502 10.6689 10.6689 12.1220 12.1220 12.2836 12.2836 12.9280 12.9280 k =-0.1607 0.0579-0.0000 ( 3776 PWs) bands (ev): -14.5934 -14.5934 -14.5664 -14.5664 -14.0665 -14.0665 -14.0512 -14.0512 -13.5012 -13.5012 -13.4894 -13.4894 -13.1281 -13.1281 -13.1022 -13.1022 -12.9918 -12.9918 -12.9838 -12.9838 -6.8292 -6.8292 -5.5838 -5.5838 1.0533 1.0533 1.8697 1.8697 1.9261 1.9261 4.0662 4.0662 4.1234 4.1234 5.0473 5.0473 5.0988 5.0988 6.4081 6.4081 10.6057 10.6057 12.1394 12.1394 12.2930 12.2930 12.9057 12.9057 k =-0.1786 0.0643-0.0000 ( 3776 PWs) bands (ev): -14.5930 -14.5930 -14.5668 -14.5668 -14.0663 -14.0663 -14.0514 -14.0514 -13.5011 -13.5011 -13.4896 -13.4896 -13.1277 -13.1277 -13.1026 -13.1026 -12.9916 -12.9916 -12.9838 -12.9838 -6.8148 -6.8148 -5.6068 -5.6068 1.0649 1.0649 1.8559 1.8559 1.9486 1.9486 4.0611 4.0611 4.1288 4.1288 5.0058 5.0058 5.1180 5.1180 6.4616 6.4616 10.5449 10.5449 12.1564 12.1564 12.2759 12.2759 12.9038 12.9038 k =-0.1964 0.0707-0.0000 ( 3772 PWs) bands (ev): -14.5925 -14.5925 -14.5672 -14.5672 -14.0660 -14.0660 -14.0516 -14.0516 -13.5009 -13.5009 -13.4898 -13.4898 -13.1273 -13.1273 -13.1031 -13.1031 -12.9914 -12.9914 -12.9839 -12.9839 -6.7990 -6.7990 -5.6316 -5.6316 1.0776 1.0776 1.8407 1.8407 1.9727 1.9727 4.0480 4.0480 4.1386 4.1386 4.9707 4.9707 5.1403 5.1403 6.5095 6.5095 10.4873 10.4873 12.1661 12.1661 12.2439 12.2439 12.9085 12.9085 k =-0.2143 0.0771-0.0000 ( 3774 PWs) bands (ev): -14.5920 -14.5920 -14.5677 -14.5677 -14.0657 -14.0657 -14.0519 -14.0519 -13.5008 -13.5008 -13.4900 -13.4900 -13.1269 -13.1269 -13.1036 -13.1036 -12.9912 -12.9912 -12.9840 -12.9840 -6.7819 -6.7819 -5.6579 -5.6579 1.0913 1.0913 1.8243 1.8243 1.9982 1.9982 4.0318 4.0318 4.1462 4.1462 4.9462 4.9462 5.1634 5.1634 6.5510 6.5510 10.4339 10.4339 12.1404 12.1404 12.2341 12.2341 12.8994 12.8994 k =-0.2321 0.0836-0.0000 ( 3778 PWs) bands (ev): -14.5915 -14.5915 -14.5681 -14.5681 -14.0654 -14.0654 -14.0522 -14.0522 -13.5006 -13.5006 -13.4902 -13.4902 -13.1265 -13.1265 -13.1041 -13.1041 -12.9910 -12.9910 -12.9842 -12.9842 -6.7636 -6.7636 -5.6858 -5.6858 1.1061 1.1061 1.8069 1.8069 2.0248 2.0248 4.0146 4.0146 4.1481 4.1481 4.9345 4.9345 5.1864 5.1864 6.5852 6.5852 10.3857 10.3857 12.0811 12.0811 12.2524 12.2524 12.8662 12.8662 k =-0.2500 0.0900-0.0000 ( 3766 PWs) bands (ev): -14.5909 -14.5909 -14.5686 -14.5686 -14.0651 -14.0651 -14.0524 -14.0524 -13.5004 -13.5004 -13.4905 -13.4905 -13.1260 -13.1260 -13.1046 -13.1046 -12.9908 -12.9908 -12.9843 -12.9843 -6.7441 -6.7441 -5.7148 -5.7148 1.1217 1.1217 1.7884 1.7884 2.0522 2.0522 3.9971 3.9971 4.1427 4.1427 4.9368 4.9368 5.2092 5.2092 6.6114 6.6114 10.3434 10.3434 12.0128 12.0128 12.2793 12.2793 12.8129 12.8129 k =-0.2679 0.0964-0.0000 ( 3762 PWs) bands (ev): -14.5904 -14.5904 -14.5691 -14.5691 -14.0648 -14.0648 -14.0528 -14.0528 -13.5002 -13.5002 -13.4907 -13.4907 -13.1255 -13.1255 -13.1052 -13.1052 -12.9906 -12.9906 -12.9844 -12.9844 -6.7235 -6.7235 -5.7449 -5.7449 1.1383 1.1383 1.7690 1.7690 2.0802 2.0802 3.9797 3.9797 4.1297 4.1297 4.9533 4.9533 5.2314 5.2314 6.6288 6.6288 10.3078 10.3078 11.9434 11.9434 12.3100 12.3100 12.7469 12.7469 k =-0.2857 0.1029-0.0000 ( 3760 PWs) bands (ev): -14.5897 -14.5897 -14.5697 -14.5697 -14.0644 -14.0644 -14.0531 -14.0531 -13.5000 -13.5000 -13.4910 -13.4910 -13.1250 -13.1250 -13.1058 -13.1058 -12.9904 -12.9904 -12.9845 -12.9845 -6.7020 -6.7020 -5.7758 -5.7758 1.1557 1.1557 1.7488 1.7488 2.1083 2.1083 3.9626 3.9626 4.1100 4.1100 4.9830 4.9830 5.2528 5.2528 6.6369 6.6369 10.2792 10.2792 11.8759 11.8759 12.3428 12.3428 12.6745 12.6745 k =-0.3036 0.1093-0.0000 ( 3760 PWs) bands (ev): -14.5891 -14.5891 -14.5703 -14.5703 -14.0640 -14.0640 -14.0534 -14.0534 -13.4998 -13.4998 -13.4913 -13.4913 -13.1244 -13.1244 -13.1064 -13.1064 -12.9902 -12.9902 -12.9847 -12.9847 -6.6796 -6.6796 -5.8072 -5.8072 1.1739 1.1739 1.7280 1.7280 2.1364 2.1364 3.9457 3.9457 4.0852 4.0852 5.0242 5.0242 5.2733 5.2733 6.6354 6.6354 10.2582 10.2582 11.8120 11.8120 12.3754 12.3754 12.6010 12.6010 k =-0.3214 0.1157-0.0000 ( 3754 PWs) bands (ev): -14.5885 -14.5885 -14.5708 -14.5708 -14.0637 -14.0637 -14.0538 -14.0538 -13.4996 -13.4996 -13.4915 -13.4915 -13.1239 -13.1239 -13.1071 -13.1071 -12.9899 -12.9899 -12.9848 -12.9848 -6.6565 -6.6565 -5.8389 -5.8389 1.1927 1.1927 1.7065 1.7065 2.1640 2.1640 3.9292 3.9292 4.0574 4.0574 5.0750 5.0750 5.2926 5.2926 6.6243 6.6243 10.2446 10.2446 11.7526 11.7526 12.3989 12.3989 12.5375 12.5375 k =-0.3393 0.1222-0.0000 ( 3760 PWs) bands (ev): -14.5878 -14.5878 -14.5714 -14.5714 -14.0633 -14.0633 -14.0541 -14.0541 -13.4993 -13.4993 -13.4918 -13.4918 -13.1233 -13.1233 -13.1077 -13.1077 -12.9897 -12.9897 -12.9850 -12.9850 -6.6330 -6.6330 -5.8706 -5.8706 1.2120 1.2120 1.6847 1.6847 2.1908 2.1908 3.9128 3.9128 4.0286 4.0286 5.1332 5.1332 5.3108 5.3108 6.6039 6.6039 10.2382 10.2382 11.6983 11.6983 12.3821 12.3821 12.5167 12.5167 k =-0.3571 0.1286-0.0000 ( 3770 PWs) bands (ev): -14.5872 -14.5872 -14.5720 -14.5720 -14.0629 -14.0629 -14.0545 -14.0545 -13.4991 -13.4991 -13.4921 -13.4921 -13.1227 -13.1227 -13.1084 -13.1084 -12.9895 -12.9895 -12.9851 -12.9851 -6.6092 -6.6092 -5.9019 -5.9019 1.2318 1.2318 1.6626 1.6626 2.2164 2.2164 3.8962 3.8962 4.0006 4.0006 5.1969 5.1969 5.3279 5.3279 6.5747 6.5747 10.2384 10.2384 11.6494 11.6494 12.3220 12.3220 12.5432 12.5432 k =-0.3750 0.1350-0.0000 ( 3774 PWs) bands (ev): -14.5866 -14.5866 -14.5726 -14.5726 -14.0625 -14.0625 -14.0548 -14.0548 -13.4989 -13.4989 -13.4923 -13.4923 -13.1221 -13.1221 -13.1090 -13.1090 -12.9892 -12.9892 -12.9853 -12.9853 -6.5856 -6.5856 -5.9325 -5.9325 1.2517 1.2517 1.6405 1.6405 2.2405 2.2405 3.8793 3.8793 3.9751 3.9751 5.2634 5.2634 5.3446 5.3446 6.5377 6.5377 10.2443 10.2443 11.6063 11.6063 12.2518 12.2518 12.5850 12.5850 k =-0.3929 0.1414-0.0000 ( 3764 PWs) bands (ev): -14.5859 -14.5859 -14.5732 -14.5732 -14.0622 -14.0622 -14.0552 -14.0552 -13.4987 -13.4987 -13.4926 -13.4926 -13.1216 -13.1216 -13.1096 -13.1096 -12.9890 -12.9890 -12.9855 -12.9855 -6.5625 -6.5625 -5.9617 -5.9617 1.2717 1.2717 1.6187 1.6187 2.2625 2.2625 3.8621 3.8621 3.9533 3.9533 5.3252 5.3252 5.3666 5.3666 6.4942 6.4942 10.2547 10.2547 11.5689 11.5689 12.1829 12.1829 12.6318 12.6318 k =-0.4107 0.1479-0.0000 ( 3768 PWs) bands (ev): -14.5853 -14.5853 -14.5738 -14.5738 -14.0618 -14.0618 -14.0555 -14.0555 -13.4985 -13.4985 -13.4928 -13.4928 -13.1210 -13.1210 -13.1102 -13.1102 -12.9888 -12.9888 -12.9856 -12.9856 -6.5405 -6.5405 -5.9890 -5.9890 1.2914 1.2914 1.5974 1.5974 2.2822 2.2822 3.8448 3.8448 3.9357 3.9357 5.3563 5.3563 5.4175 5.4175 6.4460 6.4460 10.2679 10.2679 11.5375 11.5375 12.1193 12.1193 12.6805 12.6805 k =-0.4286 0.1543-0.0000 ( 3764 PWs) bands (ev): -14.5848 -14.5848 -14.5743 -14.5743 -14.0615 -14.0615 -14.0558 -14.0558 -13.4983 -13.4983 -13.4930 -13.4930 -13.1205 -13.1205 -13.1107 -13.1107 -12.9886 -12.9886 -12.9858 -12.9858 -6.5204 -6.5204 -6.0135 -6.0135 1.3102 1.3102 1.5772 1.5772 2.2989 2.2989 3.8286 3.8286 3.9223 3.9223 5.3691 5.3691 5.4826 5.4826 6.3957 6.3957 10.2822 10.2822 11.5119 11.5119 12.0633 12.0633 12.7292 12.7292 k =-0.4464 0.1607-0.0000 ( 3768 PWs) bands (ev): -14.5843 -14.5843 -14.5747 -14.5747 -14.0612 -14.0612 -14.0561 -14.0561 -13.4982 -13.4982 -13.4932 -13.4932 -13.1201 -13.1201 -13.1112 -13.1112 -12.9884 -12.9884 -12.9859 -12.9859 -6.5030 -6.5030 -6.0344 -6.0344 1.3273 1.3273 1.5590 1.5590 2.3124 2.3124 3.8145 3.8145 3.9126 3.9126 5.3775 5.3775 5.5445 5.5445 6.3468 6.3468 10.2959 10.2959 11.4921 11.4921 12.0170 12.0170 12.7753 12.7753 k =-0.4643 0.1672-0.0000 ( 3766 PWs) bands (ev): -14.5840 -14.5840 -14.5751 -14.5751 -14.0609 -14.0609 -14.0564 -14.0564 -13.4981 -13.4981 -13.4933 -13.4933 -13.1197 -13.1197 -13.1116 -13.1116 -12.9883 -12.9883 -12.9860 -12.9860 -6.4894 -6.4894 -6.0505 -6.0505 1.3416 1.3416 1.5439 1.5439 2.3224 2.3224 3.8037 3.8037 3.9060 3.9060 5.3831 5.3831 5.5966 5.5966 6.3042 6.3042 10.3072 10.3072 11.4781 11.4781 11.9824 11.9824 12.8153 12.8153 k =-0.4821 0.1736-0.0000 ( 3768 PWs) bands (ev): -14.5837 -14.5837 -14.5753 -14.5753 -14.0608 -14.0608 -14.0565 -14.0565 -13.4980 -13.4980 -13.4934 -13.4934 -13.1195 -13.1195 -13.1118 -13.1118 -12.9882 -12.9882 -12.9861 -12.9861 -6.4807 -6.4807 -6.0608 -6.0608 1.3514 1.3514 1.5337 1.5337 2.3284 2.3284 3.7969 3.7969 3.9022 3.9022 5.3865 5.3865 5.6323 5.6323 6.2741 6.2741 10.3147 10.3147 11.4697 11.4697 11.9610 11.9610 12.8437 12.8437 k =-0.5000 0.1800-0.0000 ( 3768 PWs) bands (ev): -14.5836 -14.5836 -14.5754 -14.5754 -14.0607 -14.0607 -14.0566 -14.0566 -13.4980 -13.4980 -13.4934 -13.4934 -13.1194 -13.1194 -13.1119 -13.1119 -12.9882 -12.9882 -12.9861 -12.9861 -6.4777 -6.4777 -6.0643 -6.0643 1.3549 1.3549 1.5300 1.5300 2.3305 2.3305 3.7946 3.7946 3.9009 3.9009 5.3876 5.3876 5.6451 5.6451 6.2632 6.2632 10.3173 10.3173 11.4669 11.4669 11.9538 11.9538 12.8542 12.8542 k =-0.5000 0.1800-0.0000 ( 3768 PWs) bands (ev): -14.5836 -14.5836 -14.5754 -14.5754 -14.0607 -14.0607 -14.0566 -14.0566 -13.4980 -13.4980 -13.4934 -13.4934 -13.1194 -13.1194 -13.1119 -13.1119 -12.9882 -12.9882 -12.9861 -12.9861 -6.4777 -6.4777 -6.0643 -6.0643 1.3549 1.3549 1.5300 1.5300 2.3305 2.3305 3.7946 3.7946 3.9009 3.9009 5.3876 5.3876 5.6451 5.6451 6.2632 6.2632 10.3173 10.3173 11.4669 11.4669 11.9538 11.9538 12.8542 12.8542 k =-0.4936 0.1978-0.0000 ( 3774 PWs) bands (ev): -14.5836 -14.5836 -14.5754 -14.5754 -14.0607 -14.0607 -14.0565 -14.0565 -13.4980 -13.4980 -13.4934 -13.4934 -13.1194 -13.1194 -13.1119 -13.1119 -12.9881 -12.9881 -12.9861 -12.9861 -6.4771 -6.4771 -6.0643 -6.0643 1.3553 1.3553 1.5299 1.5299 2.3301 2.3301 3.7937 3.7937 3.8995 3.8995 5.3863 5.3863 5.6458 5.6458 6.2636 6.2636 10.3183 10.3183 11.4673 11.4673 11.9554 11.9554 12.8433 12.8433 k =-0.4872 0.2156-0.0000 ( 3764 PWs) bands (ev): -14.5836 -14.5836 -14.5754 -14.5754 -14.0607 -14.0607 -14.0565 -14.0565 -13.4980 -13.4980 -13.4934 -13.4934 -13.1194 -13.1194 -13.1119 -13.1119 -12.9881 -12.9881 -12.9861 -12.9861 -6.4754 -6.4754 -6.0645 -6.0645 1.3563 1.3563 1.5297 1.5297 2.3290 2.3290 3.7912 3.7912 3.8952 3.8952 5.3825 5.3825 5.6477 5.6477 6.2650 6.2650 10.3215 10.3215 11.4684 11.4684 11.9602 11.9602 12.8116 12.8116 k =-0.4808 0.2333-0.0000 ( 3764 PWs) bands (ev): -14.5836 -14.5836 -14.5753 -14.5753 -14.0607 -14.0607 -14.0565 -14.0565 -13.4980 -13.4980 -13.4934 -13.4934 -13.1195 -13.1195 -13.1119 -13.1119 -12.9881 -12.9881 -12.9861 -12.9861 -6.4726 -6.4726 -6.0647 -6.0647 1.3580 1.3580 1.5295 1.5295 2.3272 2.3272 3.7869 3.7869 3.8883 3.8883 5.3763 5.3763 5.6508 5.6508 6.2672 6.2672 10.3266 10.3266 11.4699 11.4699 11.9680 11.9680 12.7614 12.7614 k =-0.4744 0.2511-0.0000 ( 3762 PWs) bands (ev): -14.5837 -14.5837 -14.5753 -14.5753 -14.0607 -14.0607 -14.0565 -14.0565 -13.4980 -13.4980 -13.4934 -13.4934 -13.1195 -13.1195 -13.1119 -13.1119 -12.9880 -12.9880 -12.9861 -12.9861 -6.4687 -6.4687 -6.0650 -6.0650 1.3604 1.3604 1.5291 1.5291 2.3246 2.3246 3.7807 3.7807 3.8790 3.8790 5.3681 5.3681 5.6549 5.6549 6.2701 6.2701 10.3338 10.3338 11.4712 11.4712 11.9788 11.9788 12.6958 12.6958 k =-0.4680 0.2689-0.0000 ( 3750 PWs) bands (ev): -14.5837 -14.5837 -14.5752 -14.5752 -14.0607 -14.0607 -14.0564 -14.0564 -13.4980 -13.4980 -13.4934 -13.4934 -13.1195 -13.1195 -13.1118 -13.1118 -12.9879 -12.9879 -12.9861 -12.9861 -6.4637 -6.4637 -6.0654 -6.0654 1.3634 1.3634 1.5286 1.5286 2.3213 2.3213 3.7727 3.7727 3.8675 3.8675 5.3582 5.3582 5.6597 5.6597 6.2736 6.2736 10.3429 10.3429 11.4716 11.4716 11.9921 11.9921 12.6182 12.6182 k =-0.4616 0.2867-0.0000 ( 3756 PWs) bands (ev): -14.5837 -14.5837 -14.5752 -14.5752 -14.0607 -14.0607 -14.0564 -14.0564 -13.4980 -13.4980 -13.4934 -13.4934 -13.1196 -13.1196 -13.1118 -13.1118 -12.9878 -12.9878 -12.9861 -12.9861 -6.4576 -6.4576 -6.0660 -6.0660 1.3671 1.3671 1.5279 1.5279 2.3170 2.3170 3.7626 3.7626 3.8543 3.8543 5.3470 5.3470 5.6650 5.6650 6.2775 6.2775 10.3538 10.3538 11.4702 11.4702 12.0077 12.0077 12.5317 12.5317 k =-0.4552 0.3044-0.0000 ( 3752 PWs) bands (ev): -14.5837 -14.5837 -14.5751 -14.5751 -14.0607 -14.0607 -14.0563 -14.0563 -13.4981 -13.4981 -13.4934 -13.4934 -13.1196 -13.1196 -13.1118 -13.1118 -12.9877 -12.9877 -12.9861 -12.9861 -6.4504 -6.4504 -6.0667 -6.0667 1.3715 1.3715 1.5272 1.5272 2.3119 2.3119 3.7505 3.7505 3.8396 3.8396 5.3348 5.3348 5.6707 5.6707 6.2816 6.2816 10.3666 10.3666 11.4659 11.4659 12.0246 12.0246 12.4393 12.4393 k =-0.4488 0.3222-0.0000 ( 3756 PWs) bands (ev): -14.5838 -14.5838 -14.5750 -14.5750 -14.0607 -14.0607 -14.0562 -14.0562 -13.4981 -13.4981 -13.4934 -13.4934 -13.1197 -13.1197 -13.1118 -13.1118 -12.9876 -12.9876 -12.9861 -12.9861 -6.4422 -6.4422 -6.0676 -6.0676 1.3765 1.3765 1.5262 1.5262 2.3058 2.3058 3.7364 3.7364 3.8237 3.8237 5.3221 5.3221 5.6765 5.6765 6.2859 6.2859 10.3810 10.3810 11.4578 11.4578 12.0414 12.0414 12.3441 12.3441 k =-0.4424 0.3400-0.0000 ( 3758 PWs) bands (ev): -14.5838 -14.5838 -14.5749 -14.5749 -14.0607 -14.0607 -14.0561 -14.0561 -13.4982 -13.4982 -13.4933 -13.4933 -13.1198 -13.1198 -13.1117 -13.1117 -12.9875 -12.9875 -12.9860 -12.9860 -6.4329 -6.4329 -6.0686 -6.0686 1.3821 1.3821 1.5252 1.5252 2.2987 2.2987 3.7205 3.7205 3.8069 3.8069 5.3092 5.3092 5.6823 5.6823 6.2900 6.2900 10.3971 10.3971 11.4449 11.4449 12.0538 12.0538 12.2520 12.2520 k =-0.4360 0.3578-0.0000 ( 3754 PWs) bands (ev): -14.5838 -14.5838 -14.5747 -14.5747 -14.0607 -14.0607 -14.0560 -14.0560 -13.4982 -13.4982 -13.4933 -13.4933 -13.1199 -13.1199 -13.1117 -13.1117 -12.9873 -12.9873 -12.9860 -12.9860 -6.4226 -6.4226 -6.0698 -6.0698 1.3883 1.3883 1.5239 1.5239 2.2906 2.2906 3.7030 3.7030 3.7892 3.7892 5.2964 5.2964 5.6880 5.6880 6.2938 6.2938 10.4146 10.4146 11.4263 11.4263 12.0446 12.0446 12.1807 12.1807 k =-0.4296 0.3755-0.0000 ( 3752 PWs) bands (ev): -14.5839 -14.5839 -14.5746 -14.5746 -14.0607 -14.0607 -14.0559 -14.0559 -13.4983 -13.4983 -13.4933 -13.4933 -13.1200 -13.1200 -13.1116 -13.1116 -12.9871 -12.9871 -12.9860 -12.9860 -6.4113 -6.4113 -6.0713 -6.0713 1.3951 1.3951 1.5225 1.5225 2.2813 2.2813 3.6842 3.6842 3.7706 3.7706 5.2842 5.2842 5.6934 5.6934 6.2972 6.2972 10.4336 10.4336 11.4017 11.4017 11.9841 11.9841 12.1610 12.1610 k =-0.4232 0.3933-0.0000 ( 3748 PWs) bands (ev): -14.5839 -14.5839 -14.5745 -14.5745 -14.0607 -14.0607 -14.0558 -14.0558 -13.4983 -13.4983 -13.4933 -13.4933 -13.1201 -13.1201 -13.1116 -13.1116 -12.9870 -12.9870 -12.9860 -12.9860 -6.3990 -6.3990 -6.0730 -6.0730 1.4025 1.4025 1.5209 1.5209 2.2709 2.2709 3.6646 3.6646 3.7511 3.7511 5.2728 5.2728 5.6984 5.6984 6.3000 6.3000 10.4539 10.4539 11.3707 11.3707 11.8932 11.8932 12.1723 12.1723 k =-0.4168 0.4111-0.0000 ( 3760 PWs) bands (ev): -14.5840 -14.5840 -14.5743 -14.5743 -14.0607 -14.0607 -14.0557 -14.0557 -13.4984 -13.4984 -13.4932 -13.4932 -13.1202 -13.1202 -13.1115 -13.1115 -12.9868 -12.9868 -12.9859 -12.9859 -6.3858 -6.3858 -6.0751 -6.0751 1.4104 1.4104 1.5190 1.5190 2.2594 2.2594 3.6446 3.6446 3.7307 3.7307 5.2624 5.2624 5.7028 5.7028 6.3022 6.3022 10.4755 10.4755 11.3336 11.3336 11.7951 11.7951 12.1918 12.1918 k =-0.4104 0.4289-0.0000 ( 3760 PWs) bands (ev): -14.5840 -14.5840 -14.5741 -14.5741 -14.0607 -14.0607 -14.0556 -14.0556 -13.4984 -13.4984 -13.4932 -13.4932 -13.1203 -13.1203 -13.1114 -13.1114 -12.9866 -12.9866 -12.9859 -12.9859 -6.3717 -6.3717 -6.0774 -6.0774 1.4188 1.4188 1.5170 1.5170 2.2468 2.2468 3.6243 3.6243 3.7094 3.7094 5.2534 5.2534 5.7067 5.7067 6.3036 6.3036 10.4981 10.4981 11.2908 11.2908 11.6962 11.6962 12.2134 12.2134 k =-0.4040 0.4467-0.0000 ( 3748 PWs) bands (ev): -14.5841 -14.5841 -14.5740 -14.5740 -14.0607 -14.0607 -14.0554 -14.0554 -13.4985 -13.4985 -13.4932 -13.4932 -13.1204 -13.1204 -13.1114 -13.1114 -12.9864 -12.9864 -12.9859 -12.9859 -6.3567 -6.3567 -6.0801 -6.0801 1.4277 1.4277 1.5147 1.5147 2.2331 2.2331 3.6041 3.6041 3.6872 3.6872 5.2459 5.2459 5.7098 5.7098 6.3041 6.3041 10.5214 10.5214 11.2431 11.2431 11.5988 11.5988 12.2351 12.2351 k =-0.3976 0.4644-0.0000 ( 3748 PWs) bands (ev): -14.5842 -14.5842 -14.5738 -14.5738 -14.0607 -14.0607 -14.0553 -14.0553 -13.4985 -13.4985 -13.4931 -13.4931 -13.1205 -13.1205 -13.1113 -13.1113 -12.9862 -12.9862 -12.9858 -12.9858 -6.3409 -6.3409 -6.0832 -6.0832 1.4371 1.4371 1.5121 1.5121 2.2184 2.2184 3.5840 3.5840 3.6644 3.6644 5.2400 5.2400 5.7120 5.7120 6.3039 6.3039 10.5452 10.5452 11.1912 11.1912 11.5040 11.5040 12.2562 12.2562 k =-0.3912 0.4822-0.0000 ( 3748 PWs) bands (ev): -14.5842 -14.5842 -14.5736 -14.5736 -14.0607 -14.0607 -14.0551 -14.0551 -13.4986 -13.4986 -13.4931 -13.4931 -13.1207 -13.1207 -13.1112 -13.1112 -12.9860 -12.9860 -12.9857 -12.9857 -6.3242 -6.3242 -6.0867 -6.0867 1.4470 1.4470 1.5093 1.5093 2.2028 2.2028 3.5639 3.5639 3.6414 3.6414 5.2360 5.2360 5.7133 5.7133 6.3028 6.3028 10.5688 10.5688 11.1365 11.1365 11.4128 11.4128 12.2760 12.2760 k =-0.3848 0.5000-0.0000 ( 3748 PWs) bands (ev): -14.5843 -14.5843 -14.5734 -14.5734 -14.0607 -14.0607 -14.0550 -14.0550 -13.4987 -13.4987 -13.4930 -13.4930 -13.1208 -13.1208 -13.1111 -13.1111 -12.9859 -12.9859 -12.9856 -12.9856 -6.3069 -6.3069 -6.0907 -6.0907 1.4572 1.4572 1.5062 1.5062 2.1864 2.1864 3.5435 3.5435 3.6187 3.6187 5.2338 5.2338 5.7135 5.7135 6.3009 6.3009 10.5912 10.5912 11.0804 11.0804 11.3261 11.3261 12.2942 12.2942 k =-0.3784 0.5178-0.0000 ( 3746 PWs) bands (ev): -14.5844 -14.5844 -14.5732 -14.5732 -14.0607 -14.0607 -14.0548 -14.0548 -13.4988 -13.4988 -13.4930 -13.4930 -13.1210 -13.1210 -13.1110 -13.1110 -12.9858 -12.9858 -12.9854 -12.9854 -6.2887 -6.2887 -6.0951 -6.0951 1.4679 1.4679 1.5028 1.5028 2.1694 2.1694 3.5221 3.5221 3.5970 3.5970 5.2335 5.2335 5.7125 5.7125 6.2983 6.2983 10.6106 10.6106 11.0248 11.0248 11.2450 11.2450 12.3105 12.3105 k =-0.3720 0.5355-0.0000 ( 3742 PWs) bands (ev): -14.5845 -14.5845 -14.5730 -14.5730 -14.0607 -14.0607 -14.0547 -14.0547 -13.4988 -13.4988 -13.4930 -13.4930 -13.1212 -13.1212 -13.1109 -13.1109 -12.9858 -12.9858 -12.9851 -12.9851 -6.2700 -6.2700 -6.1001 -6.1001 1.4788 1.4788 1.4991 1.4991 2.1520 2.1520 3.4993 3.4993 3.5773 3.5773 5.2351 5.2351 5.7103 5.7103 6.2950 6.2950 10.6238 10.6238 10.9723 10.9723 11.1712 11.1712 12.3247 12.3247 k =-0.3656 0.5533-0.0000 ( 3748 PWs) bands (ev): -14.5846 -14.5846 -14.5727 -14.5727 -14.0608 -14.0608 -14.0545 -14.0545 -13.4989 -13.4989 -13.4929 -13.4929 -13.1213 -13.1213 -13.1108 -13.1108 -12.9858 -12.9858 -12.9849 -12.9849 -6.2505 -6.2505 -6.1056 -6.1056 1.4897 1.4897 1.4955 1.4955 2.1342 2.1342 3.4747 3.4747 3.5599 3.5599 5.2385 5.2385 5.7066 5.7066 6.2912 6.2912 10.6262 10.6262 10.9257 10.9257 11.1076 11.1076 12.3367 12.3367 k =-0.3592 0.5711-0.0000 ( 3752 PWs) bands (ev): -14.5847 -14.5847 -14.5725 -14.5725 -14.0608 -14.0608 -14.0543 -14.0543 -13.4990 -13.4990 -13.4929 -13.4929 -13.1215 -13.1215 -13.1107 -13.1107 -12.9858 -12.9858 -12.9847 -12.9847 -6.2305 -6.2305 -6.1117 -6.1117 1.4901 1.4901 1.5023 1.5023 2.1165 2.1165 3.4482 3.4482 3.5452 3.5452 5.2436 5.2436 5.7015 5.7015 6.2869 6.2869 10.6124 10.6124 10.8861 10.8861 11.0593 11.0593 12.3464 12.3464 k =-0.3528 0.5889-0.0000 ( 3760 PWs) bands (ev): -14.5848 -14.5848 -14.5723 -14.5723 -14.0608 -14.0608 -14.0542 -14.0542 -13.4991 -13.4991 -13.4928 -13.4928 -13.1217 -13.1217 -13.1105 -13.1105 -12.9857 -12.9857 -12.9844 -12.9844 -6.2100 -6.2100 -6.1184 -6.1184 1.4855 1.4855 1.5140 1.5140 2.0989 2.0989 3.4202 3.4202 3.5327 3.5327 5.2503 5.2503 5.6949 5.6949 6.2824 6.2824 10.5806 10.5806 10.8491 10.8491 11.0333 11.0333 12.3538 12.3538 k =-0.3464 0.6066-0.0000 ( 3764 PWs) bands (ev): -14.5850 -14.5850 -14.5720 -14.5720 -14.0608 -14.0608 -14.0540 -14.0540 -13.4992 -13.4992 -13.4927 -13.4927 -13.1219 -13.1219 -13.1104 -13.1104 -12.9857 -12.9857 -12.9842 -12.9842 -6.1890 -6.1890 -6.1257 -6.1257 1.4804 1.4804 1.5261 1.5261 2.0816 2.0816 3.3911 3.3911 3.5222 3.5222 5.2585 5.2585 5.6868 5.6868 6.2777 6.2777 10.5342 10.5342 10.8096 10.8096 11.0320 11.0320 12.3588 12.3588 k =-0.3400 0.6244-0.0000 ( 3760 PWs) bands (ev): -14.5851 -14.5851 -14.5718 -14.5718 -14.0609 -14.0609 -14.0538 -14.0538 -13.4992 -13.4992 -13.4927 -13.4927 -13.1221 -13.1221 -13.1103 -13.1103 -12.9857 -12.9857 -12.9839 -12.9839 -6.1676 -6.1676 -6.1337 -6.1337 1.4749 1.4749 1.5383 1.5383 2.0650 2.0650 3.3615 3.3615 3.5134 3.5134 5.2678 5.2678 5.6772 5.6772 6.2730 6.2730 10.4786 10.4786 10.7680 10.7680 11.0505 11.0505 12.3614 12.3614 k =-0.3336 0.6422-0.0000 ( 3756 PWs) bands (ev): -14.5852 -14.5852 -14.5716 -14.5716 -14.0609 -14.0609 -14.0537 -14.0537 -13.4993 -13.4993 -13.4926 -13.4926 -13.1223 -13.1223 -13.1101 -13.1101 -12.9857 -12.9857 -12.9837 -12.9837 -6.1458 -6.1458 -6.1424 -6.1424 1.4690 1.4690 1.5508 1.5508 2.0491 2.0491 3.3318 3.3318 3.5058 3.5058 5.2780 5.2780 5.6662 5.6662 6.2685 6.2685 10.4179 10.4179 10.7274 10.7274 11.0820 11.0820 12.3618 12.3618 k =-0.3272 0.6600-0.0000 ( 3754 PWs) bands (ev): -14.5854 -14.5854 -14.5713 -14.5713 -14.0610 -14.0610 -14.0535 -14.0535 -13.4994 -13.4994 -13.4926 -13.4926 -13.1225 -13.1225 -13.1100 -13.1100 -12.9857 -12.9857 -12.9835 -12.9835 -6.1518 -6.1518 -6.1237 -6.1237 1.4627 1.4627 1.5634 1.5634 2.0342 2.0342 3.3024 3.3024 3.4992 3.4992 5.2888 5.2888 5.6541 5.6541 6.2643 6.2643 10.3546 10.3546 10.6901 10.6901 11.1220 11.1220 12.3599 12.3599 k =-0.3208 0.6777-0.0000 ( 3758 PWs) bands (ev): -14.5855 -14.5855 -14.5711 -14.5711 -14.0610 -14.0610 -14.0533 -14.0533 -13.4995 -13.4995 -13.4925 -13.4925 -13.1227 -13.1227 -13.1098 -13.1098 -12.9857 -12.9857 -12.9833 -12.9833 -6.1619 -6.1619 -6.1014 -6.1014 1.4560 1.4560 1.5761 1.5761 2.0204 2.0204 3.2735 3.2735 3.4934 3.4934 5.2995 5.2995 5.6411 5.6411 6.2606 6.2606 10.2904 10.2904 10.6574 10.6574 11.1682 11.1682 12.3559 12.3559 k =-0.3144 0.6955-0.0000 ( 3766 PWs) bands (ev): -14.5857 -14.5857 -14.5708 -14.5708 -14.0611 -14.0611 -14.0532 -14.0532 -13.4996 -13.4996 -13.4924 -13.4924 -13.1229 -13.1229 -13.1096 -13.1096 -12.9858 -12.9858 -12.9830 -12.9830 -6.1727 -6.1727 -6.0788 -6.0788 1.4489 1.4489 1.5888 1.5888 2.0078 2.0078 3.2455 3.2455 3.4882 3.4882 5.3096 5.3096 5.6279 5.6279 6.2575 6.2575 10.2263 10.2263 10.6301 10.6301 11.2189 11.2189 12.3500 12.3500 k =-0.3080 0.7133-0.0000 ( 3761 PWs) bands (ev): -14.5859 -14.5859 -14.5706 -14.5706 -14.0612 -14.0612 -14.0530 -14.0530 -13.4996 -13.4996 -13.4923 -13.4923 -13.1231 -13.1231 -13.1095 -13.1095 -12.9858 -12.9858 -12.9828 -12.9828 -6.1842 -6.1842 -6.0561 -6.0561 1.4414 1.4414 1.6016 1.6016 1.9966 1.9966 3.2186 3.2186 3.4834 3.4834 5.3181 5.3181 5.6151 5.6151 6.2551 6.2551 10.1630 10.1630 10.6086 10.6086 11.2735 11.2735 12.3422 12.3422 k =-0.3016 0.7311-0.0000 ( 3755 PWs) bands (ev): -14.5860 -14.5860 -14.5704 -14.5704 -14.0613 -14.0613 -14.0529 -14.0529 -13.4997 -13.4997 -13.4923 -13.4923 -13.1233 -13.1233 -13.1093 -13.1093 -12.9858 -12.9858 -12.9826 -12.9826 -6.1965 -6.1965 -6.0333 -6.0333 1.4335 1.4335 1.6144 1.6144 1.9869 1.9869 3.1930 3.1930 3.4789 3.4789 5.3240 5.3240 5.6037 5.6037 6.2535 6.2535 10.1011 10.1011 10.5931 10.5931 11.3314 11.3314 12.3327 12.3327 k =-0.2952 0.7488-0.0000 ( 3753 PWs) bands (ev): -14.5862 -14.5862 -14.5701 -14.5701 -14.0613 -14.0613 -14.0527 -14.0527 -13.4998 -13.4998 -13.4922 -13.4922 -13.1235 -13.1235 -13.1091 -13.1091 -12.9859 -12.9859 -12.9825 -12.9825 -6.2095 -6.2095 -6.0105 -6.0105 1.4253 1.4253 1.6272 1.6272 1.9788 1.9788 3.1690 3.1690 3.4748 3.4748 5.3259 5.3259 5.5952 5.5952 6.2527 6.2527 10.0410 10.0410 10.5837 10.5837 11.3921 11.3921 12.3216 12.3216 k =-0.2888 0.7666-0.0000 ( 3763 PWs) bands (ev): -14.5864 -14.5864 -14.5699 -14.5699 -14.0614 -14.0614 -14.0525 -14.0525 -13.4999 -13.4999 -13.4921 -13.4921 -13.1237 -13.1237 -13.1089 -13.1089 -12.9859 -12.9859 -12.9823 -12.9823 -6.2232 -6.2232 -5.9878 -5.9878 1.4166 1.4166 1.6399 1.6399 1.9721 1.9721 3.1468 3.1468 3.4708 3.4708 5.3224 5.3224 5.5906 5.5906 6.2530 6.2530 9.9830 9.9830 10.5805 10.5805 11.4553 11.4553 12.3091 12.3091 k =-0.2824 0.7844-0.0000 ( 3765 PWs) bands (ev): -14.5866 -14.5866 -14.5696 -14.5696 -14.0615 -14.0615 -14.0524 -14.0524 -13.5000 -13.5000 -13.4920 -13.4920 -13.1240 -13.1240 -13.1087 -13.1087 -12.9860 -12.9860 -12.9821 -12.9821 -6.2376 -6.2376 -5.9651 -5.9651 1.4076 1.4076 1.6525 1.6525 1.9671 1.9671 3.1265 3.1265 3.4670 3.4670 5.3126 5.3126 5.5910 5.5910 6.2541 6.2541 9.9276 9.9276 10.5835 10.5835 11.5209 11.5209 12.2954 12.2954 k =-0.2824 0.7844-0.0000 ( 3765 PWs) bands (ev): -14.5866 -14.5866 -14.5696 -14.5696 -14.0615 -14.0615 -14.0524 -14.0524 -13.5000 -13.5000 -13.4920 -13.4920 -13.1240 -13.1240 -13.1087 -13.1087 -12.9860 -12.9860 -12.9821 -12.9821 -6.2376 -6.2376 -5.9651 -5.9651 1.4076 1.4076 1.6525 1.6525 1.9671 1.9671 3.1265 3.1265 3.4670 3.4670 5.3126 5.3126 5.5910 5.5910 6.2541 6.2541 9.9276 9.9276 10.5835 10.5835 11.5209 11.5209 12.2954 12.2954 k =-0.2824 0.7844 0.0193 ( 3761 PWs) bands (ev): -14.5864 -14.5864 -14.5693 -14.5693 -14.0615 -14.0615 -14.0524 -14.0524 -13.5001 -13.5001 -13.4917 -13.4917 -13.1240 -13.1240 -13.1087 -13.1087 -12.9860 -12.9860 -12.9821 -12.9821 -6.2376 -6.2376 -5.9652 -5.9652 1.3971 1.3971 1.6396 1.6396 1.9709 1.9709 3.1307 3.1307 3.4736 3.4736 5.3159 5.3159 5.5996 5.5996 6.2632 6.2632 9.9222 9.9222 10.5724 10.5724 11.5187 11.5187 12.2810 12.2810 k =-0.2824 0.7844 0.0385 ( 3757 PWs) bands (ev): -14.5858 -14.5858 -14.5684 -14.5684 -14.0616 -14.0616 -14.0524 -14.0524 -13.5004 -13.5004 -13.4909 -13.4909 -13.1240 -13.1240 -13.1088 -13.1088 -12.9860 -12.9860 -12.9821 -12.9821 -6.2375 -6.2375 -5.9655 -5.9655 1.3663 1.3663 1.6026 1.6026 1.9810 1.9810 3.1429 3.1429 3.4927 3.4927 5.3245 5.3245 5.6262 5.6262 6.2902 6.2902 9.9062 9.9062 10.5398 10.5398 11.5122 11.5122 12.2399 12.2399 k =-0.2824 0.7844 0.0578 ( 3757 PWs) bands (ev): -14.5847 -14.5847 -14.5670 -14.5670 -14.0616 -14.0616 -14.0525 -14.0525 -13.5007 -13.5007 -13.4897 -13.4897 -13.1242 -13.1242 -13.1090 -13.1090 -12.9860 -12.9860 -12.9821 -12.9821 -6.2375 -6.2375 -5.9661 -5.9661 1.3168 1.3168 1.5456 1.5456 1.9955 1.9955 3.1622 3.1622 3.5228 3.5228 5.3361 5.3361 5.6727 5.6727 6.3349 6.3349 9.8798 9.8798 10.4875 10.4875 11.5016 11.5016 12.1764 12.1764 k =-0.2824 0.7844 0.0770 ( 3755 PWs) bands (ev): -14.5832 -14.5832 -14.5649 -14.5649 -14.0616 -14.0616 -14.0526 -14.0526 -13.5010 -13.5010 -13.4882 -13.4882 -13.1243 -13.1243 -13.1092 -13.1092 -12.9859 -12.9859 -12.9821 -12.9821 -6.2375 -6.2375 -5.9669 -5.9669 1.2507 1.2507 1.4724 1.4724 2.0128 2.0128 3.1872 3.1872 3.5619 3.5619 5.3481 5.3481 5.7404 5.7404 6.3969 6.3969 9.8433 9.8433 10.4177 10.4177 11.4876 11.4876 12.0952 12.0952 k =-0.2824 0.7844 0.0963 ( 3757 PWs) bands (ev): -14.5813 -14.5813 -14.5623 -14.5623 -14.0616 -14.0616 -14.0527 -14.0527 -13.5011 -13.5011 -13.4864 -13.4864 -13.1245 -13.1245 -13.1095 -13.1095 -12.9859 -12.9859 -12.9821 -12.9821 -6.2375 -6.2375 -5.9679 -5.9679 1.1709 1.1709 1.3866 1.3866 2.0324 2.0324 3.2165 3.2165 3.6078 3.6078 5.3588 5.3588 5.8294 5.8294 6.4755 6.4755 9.7972 9.7972 10.3335 10.3335 11.4704 11.4704 12.0003 12.0003 k =-0.2824 0.7844 0.1155 ( 3759 PWs) bands (ev): -14.5790 -14.5790 -14.5592 -14.5592 -14.0617 -14.0617 -14.0528 -14.0528 -13.5011 -13.5011 -13.4844 -13.4844 -13.1247 -13.1247 -13.1099 -13.1099 -12.9859 -12.9859 -12.9821 -12.9821 -6.2375 -6.2375 -5.9692 -5.9692 1.0798 1.0798 1.2908 1.2908 2.0540 2.0540 3.2490 3.2490 3.6585 3.6585 5.3679 5.3679 5.9386 5.9386 6.5698 6.5698 9.7420 9.7420 10.2378 10.2378 11.4505 11.4505 11.8949 11.8949 k =-0.2824 0.7844 0.1348 ( 3757 PWs) bands (ev): -14.5762 -14.5762 -14.5556 -14.5556 -14.0617 -14.0617 -14.0529 -14.0529 -13.5010 -13.5010 -13.4822 -13.4822 -13.1249 -13.1249 -13.1103 -13.1103 -12.9858 -12.9858 -12.9821 -12.9821 -6.2374 -6.2374 -5.9707 -5.9707 0.9800 0.9800 1.1876 1.1876 2.0779 2.0779 3.2837 3.2837 3.7124 3.7124 5.3754 5.3754 6.0659 6.0659 6.6790 6.6790 9.6786 9.6786 10.1332 10.1332 11.4281 11.4281 11.7814 11.7814 k =-0.2824 0.7844 0.1540 ( 3759 PWs) bands (ev): -14.5731 -14.5731 -14.5516 -14.5516 -14.0617 -14.0617 -14.0531 -14.0531 -13.5006 -13.5006 -13.4798 -13.4798 -13.1252 -13.1252 -13.1108 -13.1108 -12.9858 -12.9858 -12.9821 -12.9821 -6.2374 -6.2374 -5.9725 -5.9725 0.8736 0.8736 1.0786 1.0786 2.1043 2.1043 3.3202 3.3202 3.7681 3.7681 5.3814 5.3814 6.2094 6.2094 6.8020 6.8020 9.6077 9.6077 10.0223 10.0223 11.4028 11.4028 11.6620 11.6620 k =-0.2824 0.7844 0.1733 ( 3753 PWs) bands (ev): -14.5695 -14.5695 -14.5472 -14.5472 -14.0618 -14.0618 -14.0532 -14.0532 -13.5001 -13.5001 -13.4774 -13.4774 -13.1255 -13.1255 -13.1114 -13.1114 -12.9857 -12.9857 -12.9821 -12.9821 -6.2372 -6.2372 -5.9746 -5.9746 0.7626 0.7626 0.9657 0.9657 2.1332 2.1332 3.3581 3.3581 3.8249 3.8249 5.3861 5.3861 6.3670 6.3670 6.9374 6.9374 9.5304 9.5304 9.9072 9.9072 11.3736 11.3736 11.5395 11.5395 k =-0.2824 0.7844 0.1925 ( 3757 PWs) bands (ev): -14.5656 -14.5656 -14.5424 -14.5424 -14.0618 -14.0618 -14.0534 -14.0534 -13.4993 -13.4993 -13.4748 -13.4748 -13.1259 -13.1259 -13.1120 -13.1120 -12.9856 -12.9856 -12.9820 -12.9820 -6.2371 -6.2371 -5.9769 -5.9769 0.6486 0.6486 0.8501 0.8501 2.1648 2.1648 3.3972 3.3972 3.8821 3.8821 5.3895 5.3895 6.5369 6.5369 7.0841 7.0841 9.4477 9.4477 9.7897 9.7897 11.3335 11.3335 11.4219 11.4219 k =-0.2824 0.7844 0.2118 ( 3753 PWs) bands (ev): -14.5613 -14.5613 -14.5373 -14.5373 -14.0619 -14.0619 -14.0536 -14.0536 -13.4984 -13.4984 -13.4720 -13.4720 -13.1263 -13.1263 -13.1126 -13.1126 -12.9856 -12.9856 -12.9820 -12.9820 -6.2368 -6.2368 -5.9795 -5.9795 0.5329 0.5329 0.7330 0.7330 2.1991 2.1991 3.4375 3.4375 3.9396 3.9396 5.3914 5.3914 6.7173 6.7173 7.2404 7.2404 9.3610 9.3610 9.6713 9.6713 11.2495 11.2495 11.3432 11.3432 k =-0.2824 0.7844 0.2310 ( 3745 PWs) bands (ev): -14.5567 -14.5567 -14.5320 -14.5320 -14.0619 -14.0619 -14.0539 -14.0539 -13.4971 -13.4971 -13.4692 -13.4692 -13.1266 -13.1266 -13.1133 -13.1133 -12.9855 -12.9855 -12.9820 -12.9820 -6.2365 -6.2365 -5.9824 -5.9824 0.4166 0.4166 0.6153 0.6153 2.2363 2.2363 3.4791 3.4791 3.9970 3.9970 5.3916 5.3916 6.9068 6.9068 7.4046 7.4046 9.2716 9.2716 9.5536 9.5536 11.1266 11.1266 11.2995 11.2995 k =-0.2824 0.7844 0.2503 ( 3749 PWs) bands (ev): -14.5519 -14.5519 -14.5264 -14.5264 -14.0620 -14.0620 -14.0541 -14.0541 -13.4957 -13.4957 -13.4663 -13.4663 -13.1271 -13.1271 -13.1141 -13.1141 -12.9854 -12.9854 -12.9820 -12.9820 -6.2362 -6.2362 -5.9856 -5.9856 0.3007 0.3007 0.4979 0.4979 2.2762 2.2762 3.5219 3.5219 4.0543 4.0543 5.3900 5.3900 7.1039 7.1039 7.5748 7.5748 9.1815 9.1815 9.4376 9.4376 10.9961 10.9961 11.2600 11.2600 k =-0.2824 0.7844 0.2696 ( 3747 PWs) bands (ev): -14.5467 -14.5467 -14.5206 -14.5206 -14.0620 -14.0620 -14.0543 -14.0543 -13.4941 -13.4941 -13.4634 -13.4634 -13.1275 -13.1275 -13.1148 -13.1148 -12.9853 -12.9853 -12.9820 -12.9820 -6.2357 -6.2357 -5.9891 -5.9891 0.1860 0.1860 0.3815 0.3815 2.3190 2.3190 3.5660 3.5660 4.1115 4.1115 5.3861 5.3861 7.3069 7.3069 7.7478 7.7478 9.0932 9.0932 9.3244 9.3244 10.8650 10.8650 11.2188 11.2188 k =-0.2824 0.7844 0.2888 ( 3743 PWs) bands (ev): -14.5413 -14.5413 -14.5147 -14.5147 -14.0621 -14.0621 -14.0546 -14.0546 -13.4922 -13.4922 -13.4604 -13.4604 -13.1279 -13.1279 -13.1156 -13.1156 -12.9853 -12.9853 -12.9819 -12.9819 -6.2351 -6.2351 -5.9929 -5.9929 0.0732 0.0732 0.2665 0.2665 2.3647 2.3647 3.6116 3.6116 4.1687 4.1687 5.3796 5.3796 7.5142 7.5142 7.9191 7.9191 9.0113 9.0113 9.2151 9.2151 10.7354 10.7354 11.1749 11.1749 k =-0.2824 0.7844 0.3081 ( 3743 PWs) bands (ev): -14.5357 -14.5357 -14.5087 -14.5087 -14.0621 -14.0621 -14.0549 -14.0549 -13.4901 -13.4901 -13.4574 -13.4574 -13.1284 -13.1284 -13.1165 -13.1165 -12.9852 -12.9852 -12.9819 -12.9819 -6.2343 -6.2343 -5.9971 -5.9971 -0.0373 -0.0373 0.1537 0.1537 2.4131 2.4131 3.6586 3.6586 4.2258 4.2258 5.3700 5.3700 7.7238 7.7238 8.0797 8.0797 8.9442 8.9442 9.1109 9.1109 10.6093 10.6093 11.1280 11.1280 k =-0.2824 0.7844 0.3273 ( 3747 PWs) bands (ev): -14.5300 -14.5300 -14.5026 -14.5026 -14.0622 -14.0622 -14.0552 -14.0552 -13.4878 -13.4878 -13.4543 -13.4543 -13.1288 -13.1288 -13.1174 -13.1174 -12.9851 -12.9851 -12.9819 -12.9819 -6.2334 -6.2334 -6.0015 -6.0015 -0.1448 -0.1448 0.0433 0.0433 2.4643 2.4643 3.7072 3.7072 4.2828 4.2828 5.3571 5.3571 7.9325 7.9325 8.2125 8.2125 8.9085 8.9085 9.0136 9.0136 10.4887 10.4887 11.0782 11.0782 k =-0.2824 0.7844 0.3466 ( 3753 PWs) bands (ev): -14.5241 -14.5241 -14.4966 -14.4966 -14.0622 -14.0622 -14.0555 -14.0555 -13.4853 -13.4853 -13.4513 -13.4513 -13.1293 -13.1293 -13.1182 -13.1182 -12.9850 -12.9850 -12.9819 -12.9819 -6.2324 -6.2324 -6.0063 -6.0063 -0.2489 -0.2489 -0.0643 -0.0643 2.5183 2.5183 3.7572 3.7572 4.3397 4.3397 5.3402 5.3402 8.1323 8.1323 8.2938 8.2938 8.9046 8.9046 8.9516 8.9516 10.3763 10.3763 11.0263 11.0263 k =-0.2824 0.7844 0.3658 ( 3753 PWs) bands (ev): -14.5181 -14.5181 -14.4906 -14.4906 -14.0623 -14.0623 -14.0558 -14.0558 -13.4826 -13.4826 -13.4483 -13.4483 -13.1298 -13.1298 -13.1191 -13.1191 -12.9850 -12.9850 -12.9818 -12.9818 -6.2311 -6.2311 -6.0115 -6.0115 -0.3492 -0.3492 -0.1686 -0.1686 2.5750 2.5750 3.8088 3.8088 4.3963 4.3963 5.3190 5.3190 8.2559 8.2559 8.3709 8.3709 8.8343 8.8343 9.0386 9.0386 10.2762 10.2762 10.9734 10.9734 k =-0.2824 0.7844 0.3851 ( 3762 PWs) bands (ev): -14.5121 -14.5121 -14.4847 -14.4847 -14.0623 -14.0623 -14.0561 -14.0561 -13.4797 -13.4797 -13.4453 -13.4453 -13.1302 -13.1302 -13.1200 -13.1200 -12.9849 -12.9849 -12.9818 -12.9818 -6.2296 -6.2296 -6.0170 -6.0170 -0.4455 -0.4455 -0.2695 -0.2695 2.6344 2.6344 3.8619 3.8619 4.4526 4.4526 5.2932 5.2932 8.2281 8.2281 8.5194 8.5194 8.7792 8.7792 9.1850 9.1850 10.1942 10.1942 10.9217 10.9217 k =-0.2824 0.7844 0.4043 ( 3754 PWs) bands (ev): -14.5061 -14.5061 -14.4790 -14.4790 -14.0623 -14.0623 -14.0564 -14.0564 -13.4767 -13.4767 -13.4424 -13.4424 -13.1306 -13.1306 -13.1209 -13.1209 -12.9848 -12.9848 -12.9818 -12.9818 -6.2279 -6.2279 -6.0227 -6.0227 -0.5374 -0.5374 -0.3665 -0.3665 2.6964 2.6964 3.9165 3.9165 4.5084 4.5084 5.2624 5.2624 8.1612 8.1612 8.5819 8.5819 8.8091 8.8091 9.3544 9.3544 10.1396 10.1396 10.8746 10.8746 k =-0.2824 0.7844 0.4236 ( 3750 PWs) bands (ev): -14.5000 -14.5000 -14.4734 -14.4734 -14.0624 -14.0624 -14.0567 -14.0567 -13.4735 -13.4735 -13.4396 -13.4396 -13.1311 -13.1311 -13.1219 -13.1219 -12.9848 -12.9848 -12.9817 -12.9817 -6.2260 -6.2260 -6.0289 -6.0289 -0.6247 -0.6247 -0.4595 -0.4595 2.7609 2.7609 3.9724 3.9724 4.5632 4.5632 5.2263 5.2263 8.0817 8.0817 8.5450 8.5450 8.9120 8.9120 9.5281 9.5281 10.1250 10.1250 10.8374 10.8374 k =-0.2824 0.7844 0.4428 ( 3745 PWs) bands (ev): -14.4941 -14.4941 -14.4681 -14.4681 -14.0624 -14.0624 -14.0570 -14.0570 -13.4702 -13.4702 -13.4369 -13.4369 -13.1315 -13.1315 -13.1228 -13.1228 -12.9847 -12.9847 -12.9817 -12.9817 -6.2238 -6.2238 -6.0353 -6.0353 -0.7071 -0.7071 -0.5483 -0.5483 2.8279 2.8279 4.0296 4.0296 4.6169 4.6169 5.1848 5.1848 7.9978 7.9978 8.4876 8.4876 8.9944 8.9944 9.6910 9.6910 10.1636 10.1636 10.8193 10.8193 k =-0.2824 0.7844 0.4621 ( 3743 PWs) bands (ev): -14.4882 -14.4882 -14.4631 -14.4631 -14.0624 -14.0624 -14.0573 -14.0573 -13.4668 -13.4668 -13.4344 -13.4344 -13.1319 -13.1319 -13.1237 -13.1237 -12.9847 -12.9847 -12.9817 -12.9817 -6.2213 -6.2213 -6.0420 -6.0420 -0.7844 -0.7844 -0.6327 -0.6327 2.8974 2.8974 4.0880 4.0880 4.6690 4.6690 5.1378 5.1378 7.9137 7.9137 8.4280 8.4280 9.0336 9.0336 9.8247 9.8247 10.2613 10.2613 10.8331 10.8331 k =-0.2824 0.7844 0.4814 ( 3752 PWs) bands (ev): -14.4825 -14.4825 -14.4583 -14.4583 -14.0624 -14.0624 -14.0576 -14.0576 -13.4634 -13.4634 -13.4320 -13.4320 -13.1322 -13.1322 -13.1245 -13.1245 -12.9846 -12.9846 -12.9816 -12.9816 -6.2184 -6.2184 -6.0490 -6.0490 -0.8566 -0.8566 -0.7125 -0.7125 2.9692 2.9692 4.1474 4.1474 4.7189 4.7189 5.0854 5.0855 7.8316 7.8316 8.3689 8.3689 9.0362 9.0362 9.9103 9.9103 10.4125 10.4125 10.8922 10.8922 k =-0.2824 0.7844 0.5006 ( 3748 PWs) bands (ev): -14.4770 -14.4770 -14.4539 -14.4539 -14.0623 -14.0623 -14.0579 -14.0579 -13.4599 -13.4599 -13.4298 -13.4298 -13.1325 -13.1325 -13.1254 -13.1254 -12.9846 -12.9846 -12.9816 -12.9816 -6.2153 -6.2153 -6.0562 -6.0562 -0.9233 -0.9233 -0.7875 -0.7875 3.0432 3.0432 4.2077 4.2077 4.7660 4.7660 5.0278 5.0278 7.7532 7.7532 8.3099 8.3099 9.0173 9.0173 9.9427 9.9427 10.6017 10.6017 11.0002 11.0002 k =-0.2824 0.7844 0.5199 ( 3744 PWs) bands (ev): -14.4716 -14.4716 -14.4498 -14.4498 -14.0623 -14.0623 -14.0582 -14.0582 -13.4563 -13.4563 -13.4279 -13.4279 -13.1328 -13.1328 -13.1262 -13.1262 -12.9845 -12.9845 -12.9816 -12.9816 -6.2118 -6.2118 -6.0637 -6.0637 -0.9845 -0.9845 -0.8576 -0.8576 3.1195 3.1195 4.2685 4.2685 4.8097 4.8097 4.9652 4.9652 7.6801 7.6801 8.2499 8.2499 8.9902 8.9902 9.9328 9.9328 10.8135 10.8135 11.1479 11.1479 k =-0.2824 0.7844 0.5391 ( 3749 PWs) bands (ev): -14.4665 -14.4665 -14.4461 -14.4461 -14.0623 -14.0623 -14.0585 -14.0585 -13.4528 -13.4528 -13.4261 -13.4261 -13.1331 -13.1331 -13.1270 -13.1270 -12.9845 -12.9845 -12.9815 -12.9815 -6.2080 -6.2080 -6.0713 -6.0713 -1.0402 -1.0402 -0.9227 -0.9227 3.1977 3.1977 4.3298 4.3298 4.8488 4.8488 4.8984 4.8984 7.6132 7.6132 8.1880 8.1880 8.9640 8.9640 9.8951 9.8951 11.0373 11.0373 11.3209 11.3209 k =-0.2824 0.7844 0.5584 ( 3740 PWs) bands (ev): -14.4617 -14.4617 -14.4429 -14.4429 -14.0622 -14.0622 -14.0588 -14.0588 -13.4494 -13.4494 -13.4247 -13.4247 -13.1333 -13.1333 -13.1278 -13.1278 -12.9845 -12.9845 -12.9815 -12.9815 -6.2038 -6.2038 -6.0791 -6.0791 -1.0900 -1.0900 -0.9826 -0.9826 3.2779 3.2779 4.3910 4.3910 4.8255 4.8255 4.8846 4.8846 7.5538 7.5538 8.1237 8.1237 8.9441 8.9441 9.8408 9.8408 11.2663 11.2663 11.5073 11.5073 k =-0.2824 0.7844 0.5776 ( 3740 PWs) bands (ev): -14.4572 -14.4572 -14.4401 -14.4401 -14.0621 -14.0621 -14.0591 -14.0591 -13.4460 -13.4460 -13.4235 -13.4235 -13.1335 -13.1335 -13.1285 -13.1285 -12.9845 -12.9845 -12.9815 -12.9815 -6.1992 -6.1992 -6.0870 -6.0870 -1.1341 -1.1341 -1.0372 -1.0372 3.3599 3.3599 4.4518 4.4518 4.7505 4.7505 4.9131 4.9131 7.5027 7.5027 8.0570 8.0570 8.9335 8.9335 9.7769 9.7769 11.4956 11.4956 11.6987 11.6987 k =-0.2824 0.7844 0.5969 ( 3737 PWs) bands (ev): -14.4529 -14.4529 -14.4377 -14.4377 -14.0620 -14.0620 -14.0594 -14.0594 -13.4427 -13.4427 -13.4226 -13.4226 -13.1336 -13.1336 -13.1292 -13.1292 -12.9844 -12.9844 -12.9814 -12.9814 -6.1943 -6.1943 -6.0951 -6.0951 -1.1724 -1.1724 -1.0865 -1.0865 3.4436 3.4436 4.5116 4.5116 4.6722 4.6722 4.9353 4.9353 7.4608 7.4608 7.9888 7.9888 8.9330 8.9330 9.7078 9.7078 11.7208 11.7208 11.8886 11.8886 k =-0.2824 0.7844 0.6161 ( 3739 PWs) bands (ev): -14.4490 -14.4490 -14.4358 -14.4358 -14.0619 -14.0619 -14.0596 -14.0596 -13.4396 -13.4396 -13.4220 -13.4220 -13.1337 -13.1337 -13.1298 -13.1298 -12.9844 -12.9844 -12.9814 -12.9814 -6.1890 -6.1890 -6.1031 -6.1031 -1.2047 -1.2047 -1.1302 -1.1302 3.5288 3.5288 4.5640 4.5640 4.5971 4.5971 4.9502 4.9502 7.4286 7.4286 7.9207 7.9207 8.9427 8.9427 9.6363 9.6363 11.9368 11.9368 12.0722 12.0722 k =-0.2824 0.7844 0.6354 ( 3738 PWs) bands (ev): -14.4455 -14.4455 -14.4343 -14.4343 -14.0618 -14.0618 -14.0599 -14.0599 -13.4366 -13.4366 -13.4217 -13.4217 -13.1337 -13.1337 -13.1304 -13.1304 -12.9844 -12.9844 -12.9814 -12.9814 -6.1833 -6.1833 -6.1112 -6.1112 -1.2311 -1.2311 -1.1684 -1.1684 3.6154 3.6154 4.5032 4.5032 4.6308 4.6308 4.9574 4.9574 7.4064 7.4064 7.8543 7.8543 8.9617 8.9617 9.5647 9.5647 12.1381 12.1381 12.2447 12.2447 k =-0.2824 0.7844 0.6546 ( 3734 PWs) bands (ev): -14.4424 -14.4424 -14.4333 -14.4333 -14.0617 -14.0617 -14.0601 -14.0601 -13.4339 -13.4339 -13.4218 -13.4218 -13.1337 -13.1337 -13.1309 -13.1309 -12.9844 -12.9844 -12.9814 -12.9814 -6.1773 -6.1773 -6.1192 -6.1192 -1.2515 -1.2515 -1.2010 -1.2010 3.7032 3.7032 4.4178 4.4178 4.6849 4.6849 4.9566 4.9566 7.3937 7.3937 7.7919 7.7919 8.9887 8.9887 9.4945 9.4945 12.3178 12.3178 12.4010 12.4010 k =-0.2824 0.7844 0.6739 ( 3744 PWs) bands (ev): -14.4397 -14.4397 -14.4328 -14.4328 -14.0615 -14.0615 -14.0604 -14.0604 -13.4314 -13.4314 -13.4222 -13.4222 -13.1337 -13.1337 -13.1314 -13.1314 -12.9844 -12.9844 -12.9814 -12.9814 -6.1710 -6.1710 -6.1272 -6.1272 -1.2660 -1.2660 -1.2278 -1.2278 3.7918 3.7918 4.3302 4.3302 4.7362 4.7362 4.9478 4.9478 7.3894 7.3894 7.7362 7.7362 9.0217 9.0217 9.4280 9.4280 12.4687 12.4687 12.5342 12.5342 k =-0.2824 0.7844 0.6931 ( 3742 PWs) bands (ev): -14.4374 -14.4374 -14.4328 -14.4328 -14.0614 -14.0614 -14.0606 -14.0606 -13.4291 -13.4291 -13.4229 -13.4229 -13.1336 -13.1336 -13.1318 -13.1318 -12.9844 -12.9844 -12.9814 -12.9814 -6.1643 -6.1643 -6.1350 -6.1350 -1.2744 -1.2744 -1.2489 -1.2489 3.8813 3.8813 4.2413 4.2413 4.7832 4.7832 4.9316 4.9316 7.3913 7.3913 7.6907 7.6907 9.0577 9.0577 9.3683 9.3683 12.5850 12.5850 12.6354 12.6354 k =-0.2824 0.7844 0.7124 ( 3738 PWs) bands (ev): -14.4356 -14.4356 -14.4333 -14.4333 -14.0612 -14.0612 -14.0608 -14.0608 -13.4272 -13.4272 -13.4238 -13.4238 -13.1335 -13.1335 -13.1320 -13.1320 -12.9844 -12.9844 -12.9814 -12.9814 -6.1573 -6.1573 -6.1426 -6.1426 -1.2769 -1.2769 -1.2641 -1.2641 3.9711 3.9711 4.1518 4.1518 4.8234 4.8234 4.9101 4.9101 7.3957 7.3957 7.6599 7.6599 9.0899 9.0899 9.3218 9.3218 12.6612 12.6612 12.6963 12.6963 k =-0.2824 0.7844 0.7317 ( 3734 PWs) bands (ev): -14.4342 -14.4342 -14.4341 -14.4341 -14.0611 -14.0611 -14.0609 -14.0609 -13.4261 -13.4261 -13.4247 -13.4247 -13.1335 -13.1335 -13.1321 -13.1321 -12.9844 -12.9844 -12.9814 -12.9814 -6.1502 -6.1502 -6.1500 -6.1500 -1.2735 -1.2735 -1.2734 -1.2734 4.0555 4.0555 4.0675 4.0675 4.8447 4.8447 4.8950 4.8950 7.3979 7.3979 7.6488 7.6488 9.1044 9.1044 9.3026 9.3026 12.6892 12.6892 12.7152 12.7152 k =-0.2824 0.7844 0.7317 ( 3734 PWs) bands (ev): -14.4342 -14.4342 -14.4341 -14.4341 -14.0611 -14.0611 -14.0609 -14.0609 -13.4261 -13.4261 -13.4247 -13.4247 -13.1335 -13.1335 -13.1321 -13.1321 -12.9844 -12.9844 -12.9814 -12.9814 -6.1502 -6.1502 -6.1500 -6.1500 -1.2735 -1.2735 -1.2734 -1.2734 4.0555 4.0555 4.0675 4.0675 4.8447 4.8447 4.8950 4.8950 7.3979 7.3979 7.6488 7.6488 9.1044 9.1044 9.3026 9.3026 12.6892 12.6892 12.7152 12.7152 k =-0.2888 0.7666 0.7317 ( 3734 PWs) bands (ev): -14.4343 -14.4343 -14.4341 -14.4341 -14.0611 -14.0611 -14.0610 -14.0610 -13.4261 -13.4261 -13.4247 -13.4247 -13.1334 -13.1334 -13.1321 -13.1321 -12.9844 -12.9844 -12.9814 -12.9814 -6.1515 -6.1515 -6.1514 -6.1514 -1.2843 -1.2843 -1.2842 -1.2842 4.0704 4.0704 4.0817 4.0817 4.8644 4.8644 4.9153 4.9153 7.4420 7.4420 7.6961 7.6961 9.0615 9.0615 9.2599 9.2599 12.6924 12.6924 12.7202 12.7202 k =-0.2952 0.7488 0.7317 ( 3742 PWs) bands (ev): -14.4343 -14.4343 -14.4341 -14.4341 -14.0611 -14.0611 -14.0610 -14.0610 -13.4260 -13.4260 -13.4246 -13.4246 -13.1334 -13.1334 -13.1321 -13.1321 -12.9845 -12.9845 -12.9815 -12.9815 -6.1533 -6.1533 -6.1532 -6.1532 -1.2957 -1.2957 -1.2957 -1.2957 4.0875 4.0875 4.0981 4.0981 4.8852 4.8852 4.9367 4.9367 7.4886 7.4886 7.7466 7.7466 9.0187 9.0187 9.2178 9.2178 12.6967 12.6967 12.7263 12.7263 k =-0.3016 0.7311 0.7317 ( 3734 PWs) bands (ev): -14.4343 -14.4343 -14.4342 -14.4342 -14.0612 -14.0612 -14.0610 -14.0610 -13.4260 -13.4260 -13.4246 -13.4246 -13.1334 -13.1334 -13.1321 -13.1321 -12.9845 -12.9845 -12.9815 -12.9815 -6.1554 -6.1554 -6.1553 -6.1553 -1.3078 -1.3078 -1.3077 -1.3077 4.1070 4.1070 4.1169 4.1169 4.9071 4.9071 4.9590 4.9590 7.5377 7.5377 7.8001 7.8001 8.9760 8.9760 9.1766 9.1766 12.7019 12.7019 12.7333 12.7333 k =-0.3080 0.7133 0.7317 ( 3732 PWs) bands (ev): -14.4343 -14.4343 -14.4342 -14.4342 -14.0612 -14.0612 -14.0611 -14.0611 -13.4260 -13.4260 -13.4246 -13.4246 -13.1333 -13.1333 -13.1321 -13.1321 -12.9846 -12.9846 -12.9816 -12.9816 -6.1579 -6.1579 -6.1578 -6.1578 -1.3204 -1.3204 -1.3202 -1.3202 4.1289 4.1289 4.1379 4.1379 4.9296 4.9296 4.9821 4.9821 7.5887 7.5887 7.8563 7.8563 8.9336 8.9336 9.1365 9.1365 12.7080 12.7080 12.7413 12.7413 k =-0.3144 0.6955 0.7317 ( 3734 PWs) bands (ev): -14.4344 -14.4344 -14.4342 -14.4342 -14.0613 -14.0613 -14.0611 -14.0611 -13.4260 -13.4260 -13.4245 -13.4245 -13.1333 -13.1333 -13.1321 -13.1321 -12.9847 -12.9847 -12.9817 -12.9817 -6.1607 -6.1607 -6.1606 -6.1606 -1.3334 -1.3334 -1.3332 -1.3332 4.1531 4.1531 4.1613 4.1613 4.9528 4.9528 5.0057 5.0057 7.6414 7.6414 7.9150 7.9150 8.8917 8.8917 9.0978 9.0978 12.7148 12.7148 12.7501 12.7501 k =-0.3208 0.6777 0.7317 ( 3734 PWs) bands (ev): -14.4344 -14.4344 -14.4342 -14.4342 -14.0613 -14.0613 -14.0612 -14.0612 -13.4260 -13.4260 -13.4245 -13.4245 -13.1332 -13.1332 -13.1321 -13.1321 -12.9848 -12.9848 -12.9818 -12.9818 -6.1638 -6.1638 -6.1638 -6.1638 -1.3469 -1.3469 -1.3467 -1.3467 4.1796 4.1796 4.1869 4.1869 4.9764 4.9764 5.0297 5.0297 7.6953 7.6953 7.9758 7.9758 8.8504 8.8504 9.0609 9.0609 12.7222 12.7222 12.7594 12.7594 k =-0.3272 0.6600 0.7317 ( 3738 PWs) bands (ev): -14.4344 -14.4344 -14.4342 -14.4342 -14.0613 -14.0613 -14.0612 -14.0612 -13.4260 -13.4260 -13.4245 -13.4245 -13.1332 -13.1332 -13.1321 -13.1321 -12.9849 -12.9849 -12.9820 -12.9820 -6.1672 -6.1672 -6.1671 -6.1671 -1.3607 -1.3607 -1.3604 -1.3604 4.2085 4.2085 4.2148 4.2148 5.0002 5.0002 5.0540 5.0540 7.7498 7.7498 8.0384 8.0384 8.8103 8.8103 9.0264 9.0264 12.7299 12.7299 12.7691 12.7691 k =-0.3336 0.6422 0.7317 ( 3754 PWs) bands (ev): -14.4344 -14.4344 -14.4343 -14.4343 -14.0614 -14.0614 -14.0613 -14.0613 -13.4259 -13.4259 -13.4245 -13.4245 -13.1331 -13.1331 -13.1321 -13.1321 -12.9850 -12.9850 -12.9821 -12.9821 -6.1708 -6.1708 -6.1708 -6.1708 -1.3748 -1.3748 -1.3745 -1.3745 4.2397 4.2397 4.2449 4.2449 5.0242 5.0242 5.0784 5.0784 7.8042 7.8042 8.1019 8.1019 8.7720 8.7720 8.9949 8.9949 12.7376 12.7376 12.7788 12.7788 k =-0.3400 0.6244 0.7317 ( 3752 PWs) bands (ev): -14.4345 -14.4345 -14.4343 -14.4343 -14.0615 -14.0615 -14.0613 -14.0613 -13.4259 -13.4259 -13.4244 -13.4244 -13.1331 -13.1331 -13.1321 -13.1321 -12.9851 -12.9851 -12.9822 -12.9822 -6.1746 -6.1746 -6.1746 -6.1746 -1.3891 -1.3891 -1.3887 -1.3887 4.2729 4.2729 4.2771 4.2771 5.0482 5.0482 5.1028 5.1028 7.8575 7.8575 8.1652 8.1652 8.7367 8.7367 8.9673 8.9673 12.7449 12.7449 12.7881 12.7881 k =-0.3464 0.6066 0.7317 ( 3752 PWs) bands (ev): -14.4345 -14.4345 -14.4343 -14.4343 -14.0615 -14.0615 -14.0614 -14.0614 -13.4259 -13.4259 -13.4244 -13.4244 -13.1330 -13.1330 -13.1321 -13.1321 -12.9852 -12.9852 -12.9824 -12.9824 -6.1787 -6.1787 -6.1787 -6.1787 -1.4035 -1.4035 -1.4031 -1.4031 4.3083 4.3083 4.3112 4.3112 5.0720 5.0720 5.1271 5.1271 7.9087 7.9087 8.2261 8.2261 8.7063 8.7063 8.9447 8.9447 12.7513 12.7513 12.7965 12.7965 k =-0.3528 0.5889 0.7317 ( 3756 PWs) bands (ev): -14.4345 -14.4345 -14.4343 -14.4343 -14.0616 -14.0616 -14.0615 -14.0615 -13.4258 -13.4258 -13.4244 -13.4244 -13.1329 -13.1329 -13.1321 -13.1321 -12.9853 -12.9853 -12.9825 -12.9825 -6.1829 -6.1829 -6.1829 -6.1829 -1.4180 -1.4180 -1.4176 -1.4176 4.3456 4.3456 4.3472 4.3472 5.0955 5.0955 5.1511 5.1511 7.9563 7.9563 8.2810 8.2810 8.6845 8.6845 8.9283 8.9283 12.7564 12.7564 12.8035 12.8035 k =-0.3592 0.5711 0.7317 ( 3744 PWs) bands (ev): -14.4346 -14.4346 -14.4344 -14.4344 -14.0616 -14.0616 -14.0615 -14.0615 -13.4258 -13.4258 -13.4244 -13.4244 -13.1329 -13.1329 -13.1321 -13.1321 -12.9854 -12.9854 -12.9827 -12.9827 -6.1872 -6.1872 -6.1872 -6.1872 -1.4325 -1.4325 -1.4320 -1.4320 4.3846 4.3846 4.3849 4.3849 5.1187 5.1187 5.1748 5.1748 7.9987 7.9987 8.3233 8.3233 8.6777 8.6777 8.9198 8.9198 12.7596 12.7596 12.8085 12.8085 k =-0.3656 0.5533 0.7317 ( 3748 PWs) bands (ev): -14.4346 -14.4346 -14.4344 -14.4344 -14.0617 -14.0617 -14.0616 -14.0616 -13.4257 -13.4257 -13.4244 -13.4244 -13.1328 -13.1328 -13.1321 -13.1321 -12.9855 -12.9855 -12.9829 -12.9829 -6.1916 -6.1916 -6.1916 -6.1916 -1.4469 -1.4469 -1.4464 -1.4464 4.4240 4.4240 4.4252 4.4252 5.1414 5.1414 5.1981 5.1981 8.0342 8.0342 8.3460 8.3460 8.6929 8.6929 8.9207 8.9207 12.7604 12.7604 12.8111 12.8111 k =-0.3720 0.5355 0.7317 ( 3748 PWs) bands (ev): -14.4346 -14.4346 -14.4344 -14.4344 -14.0618 -14.0618 -14.0617 -14.0617 -13.4257 -13.4257 -13.4243 -13.4243 -13.1328 -13.1328 -13.1321 -13.1321 -12.9856 -12.9856 -12.9830 -12.9830 -6.1961 -6.1961 -6.1961 -6.1961 -1.4611 -1.4611 -1.4607 -1.4607 4.4644 4.4644 4.4672 4.4672 5.1637 5.1637 5.2208 5.2208 8.0613 8.0613 8.3466 8.3466 8.7324 8.7324 8.9325 8.9325 12.7584 12.7584 12.8106 12.8106 k =-0.3784 0.5178 0.7317 ( 3752 PWs) bands (ev): -14.4347 -14.4347 -14.4345 -14.4345 -14.0618 -14.0618 -14.0617 -14.0617 -13.4256 -13.4256 -13.4243 -13.4243 -13.1327 -13.1327 -13.1320 -13.1320 -12.9856 -12.9856 -12.9832 -12.9832 -6.2006 -6.2006 -6.2006 -6.2006 -1.4751 -1.4751 -1.4747 -1.4747 4.5058 4.5058 4.5103 4.5103 5.1853 5.1853 5.2430 5.2430 8.0790 8.0790 8.3301 8.3301 8.7911 8.7911 8.9560 8.9560 12.7530 12.7530 12.8066 12.8066 k =-0.3848 0.5000 0.7317 ( 3760 PWs) bands (ev): -14.4347 -14.4347 -14.4345 -14.4345 -14.0619 -14.0619 -14.0618 -14.0618 -13.4256 -13.4256 -13.4243 -13.4243 -13.1326 -13.1326 -13.1320 -13.1320 -12.9857 -12.9857 -12.9834 -12.9834 -6.2051 -6.2051 -6.2051 -6.2051 -1.4889 -1.4889 -1.4884 -1.4884 4.5480 4.5480 4.5542 4.5542 5.2064 5.2064 5.2647 5.2647 8.0871 8.0871 8.3032 8.3032 8.8621 8.8621 8.9913 8.9913 12.7439 12.7439 12.7986 12.7986 k =-0.3912 0.4822 0.7317 ( 3772 PWs) bands (ev): -14.4347 -14.4347 -14.4345 -14.4345 -14.0619 -14.0619 -14.0619 -14.0619 -13.4255 -13.4255 -13.4243 -13.4243 -13.1326 -13.1326 -13.1320 -13.1320 -12.9858 -12.9858 -12.9836 -12.9836 -6.2096 -6.2096 -6.2095 -6.2095 -1.5023 -1.5023 -1.5018 -1.5018 4.5907 4.5907 4.5987 4.5987 5.2269 5.2269 5.2857 5.2857 8.0863 8.0863 8.2705 8.2705 8.9407 8.9407 9.0375 9.0375 12.7309 12.7309 12.7865 12.7865 k =-0.3976 0.4644 0.7317 ( 3768 PWs) bands (ev): -14.4348 -14.4348 -14.4346 -14.4346 -14.0620 -14.0620 -14.0620 -14.0620 -13.4255 -13.4255 -13.4243 -13.4243 -13.1325 -13.1325 -13.1320 -13.1320 -12.9859 -12.9859 -12.9837 -12.9837 -6.2140 -6.2140 -6.2139 -6.2139 -1.5152 -1.5152 -1.5148 -1.5148 4.6335 4.6335 4.6434 4.6434 5.2469 5.2469 5.3061 5.3061 8.0778 8.0778 8.2345 8.2345 9.0241 9.0241 9.0934 9.0934 12.7139 12.7139 12.7700 12.7700 k =-0.4040 0.4467 0.7317 ( 3768 PWs) bands (ev): -14.4348 -14.4348 -14.4346 -14.4346 -14.0621 -14.0621 -14.0620 -14.0620 -13.4254 -13.4254 -13.4243 -13.4243 -13.1325 -13.1325 -13.1320 -13.1320 -12.9860 -12.9860 -12.9839 -12.9839 -6.2183 -6.2183 -6.2182 -6.2182 -1.5277 -1.5277 -1.5273 -1.5273 4.6762 4.6762 4.6880 4.6880 5.2663 5.2663 5.3258 5.3258 8.0630 8.0630 8.1969 8.1969 9.1105 9.1105 9.1572 9.1572 12.6928 12.6928 12.7491 12.7491 k =-0.4104 0.4289 0.7317 ( 3768 PWs) bands (ev): -14.4348 -14.4348 -14.4346 -14.4346 -14.0621 -14.0621 -14.0621 -14.0621 -13.4254 -13.4254 -13.4243 -13.4243 -13.1324 -13.1324 -13.1320 -13.1320 -12.9860 -12.9860 -12.9841 -12.9841 -6.2224 -6.2224 -6.2224 -6.2224 -1.5397 -1.5397 -1.5393 -1.5393 4.7184 4.7184 4.7320 4.7320 5.2852 5.2852 5.3449 5.3449 8.0435 8.0435 8.1585 8.1585 9.1988 9.1988 9.2273 9.2273 12.6677 12.6677 12.7240 12.7240 k =-0.4168 0.4111 0.7317 ( 3764 PWs) bands (ev): -14.4348 -14.4348 -14.4347 -14.4347 -14.0622 -14.0622 -14.0621 -14.0621 -13.4253 -13.4253 -13.4243 -13.4243 -13.1324 -13.1324 -13.1320 -13.1320 -12.9861 -12.9861 -12.9843 -12.9843 -6.2265 -6.2265 -6.2264 -6.2264 -1.5511 -1.5511 -1.5507 -1.5507 4.7596 4.7596 4.7751 4.7751 5.3037 5.3037 5.3633 5.3633 8.0206 8.0206 8.1200 8.1200 9.2879 9.2879 9.3019 9.3019 12.6390 12.6390 12.6949 12.6949 k =-0.4232 0.3933 0.7317 ( 3760 PWs) bands (ev): -14.4349 -14.4349 -14.4347 -14.4347 -14.0622 -14.0622 -14.0622 -14.0622 -13.4253 -13.4253 -13.4243 -13.4243 -13.1323 -13.1323 -13.1319 -13.1319 -12.9861 -12.9861 -12.9844 -12.9844 -6.2303 -6.2303 -6.2303 -6.2303 -1.5618 -1.5618 -1.5615 -1.5615 4.7996 4.7996 4.8167 4.8167 5.3218 5.3218 5.3810 5.3810 7.9954 7.9954 8.0819 8.0819 9.3772 9.3772 9.3798 9.3798 12.6069 12.6069 12.6621 12.6621 k =-0.4296 0.3755 0.7317 ( 3760 PWs) bands (ev): -14.4349 -14.4349 -14.4347 -14.4347 -14.0623 -14.0623 -14.0623 -14.0623 -13.4252 -13.4252 -13.4243 -13.4243 -13.1323 -13.1323 -13.1319 -13.1319 -12.9862 -12.9862 -12.9846 -12.9846 -6.2339 -6.2339 -6.2339 -6.2339 -1.5719 -1.5719 -1.5715 -1.5715 4.8380 4.8380 4.8565 4.8565 5.3396 5.3396 5.3980 5.3980 7.9691 7.9691 8.0446 8.0446 9.4594 9.4594 9.4656 9.4656 12.5720 12.5720 12.6261 12.6261 k =-0.4360 0.3578 0.7317 ( 3752 PWs) bands (ev): -14.4349 -14.4349 -14.4348 -14.4348 -14.0624 -14.0624 -14.0623 -14.0623 -13.4251 -13.4251 -13.4243 -13.4243 -13.1322 -13.1322 -13.1319 -13.1319 -12.9862 -12.9862 -12.9848 -12.9848 -6.2373 -6.2373 -6.2373 -6.2373 -1.5812 -1.5812 -1.5809 -1.5809 4.8743 4.8743 4.8939 4.8939 5.3572 5.3572 5.4142 5.4142 7.9424 7.9424 8.0084 8.0084 9.5396 9.5396 9.5525 9.5525 12.5349 12.5349 12.5875 12.5875 k =-0.4424 0.3400 0.7317 ( 3744 PWs) bands (ev): -14.4349 -14.4349 -14.4348 -14.4348 -14.0624 -14.0624 -14.0624 -14.0624 -13.4251 -13.4251 -13.4243 -13.4243 -13.1322 -13.1322 -13.1319 -13.1319 -12.9862 -12.9862 -12.9849 -12.9849 -6.2405 -6.2405 -6.2404 -6.2404 -1.5898 -1.5898 -1.5895 -1.5895 4.9083 4.9083 4.9284 4.9284 5.3746 5.3746 5.4294 5.4294 7.9161 7.9161 7.9737 7.9737 9.6190 9.6190 9.6367 9.6367 12.4962 12.4962 12.5468 12.5468 k =-0.4488 0.3222 0.7317 ( 3756 PWs) bands (ev): -14.4349 -14.4349 -14.4348 -14.4348 -14.0624 -14.0624 -14.0624 -14.0624 -13.4250 -13.4250 -13.4243 -13.4243 -13.1321 -13.1321 -13.1319 -13.1319 -12.9863 -12.9863 -12.9851 -12.9851 -6.2433 -6.2433 -6.2433 -6.2433 -1.5975 -1.5975 -1.5973 -1.5973 4.9396 4.9396 4.9598 4.9598 5.3917 5.3917 5.4436 5.4436 7.8908 7.8908 7.9410 7.9410 9.6965 9.6965 9.7173 9.7173 12.4568 12.4568 12.5049 12.5049 k =-0.4552 0.3044 0.7317 ( 3760 PWs) bands (ev): -14.4349 -14.4349 -14.4348 -14.4348 -14.0625 -14.0625 -14.0625 -14.0625 -13.4250 -13.4250 -13.4244 -13.4244 -13.1321 -13.1321 -13.1319 -13.1319 -12.9863 -12.9863 -12.9852 -12.9852 -6.2459 -6.2459 -6.2459 -6.2459 -1.6045 -1.6045 -1.6042 -1.6042 4.9680 4.9680 4.9876 4.9876 5.4084 5.4084 5.4566 5.4566 7.8673 7.8673 7.9105 7.9105 9.7706 9.7706 9.7930 9.7930 12.4177 12.4177 12.4626 12.4626 k =-0.4616 0.2867 0.7317 ( 3760 PWs) bands (ev): -14.4349 -14.4349 -14.4349 -14.4349 -14.0625 -14.0625 -14.0625 -14.0625 -13.4249 -13.4249 -13.4244 -13.4244 -13.1321 -13.1321 -13.1319 -13.1319 -12.9863 -12.9863 -12.9854 -12.9854 -6.2482 -6.2482 -6.2482 -6.2482 -1.6105 -1.6105 -1.6103 -1.6103 4.9932 4.9932 5.0115 5.0115 5.4246 5.4246 5.4680 5.4680 7.8461 7.8461 7.8827 7.8827 9.8399 9.8399 9.8625 9.8625 12.3802 12.3802 12.4212 12.4212 k =-0.4680 0.2689 0.7317 ( 3756 PWs) bands (ev): -14.4350 -14.4350 -14.4349 -14.4349 -14.0625 -14.0625 -14.0625 -14.0625 -13.4248 -13.4248 -13.4244 -13.4244 -13.1320 -13.1320 -13.1319 -13.1319 -12.9862 -12.9862 -12.9855 -12.9855 -6.2501 -6.2501 -6.2501 -6.2501 -1.6157 -1.6157 -1.6155 -1.6155 5.0150 5.0150 5.0314 5.0314 5.4399 5.4399 5.4777 5.4777 7.8276 7.8276 7.8579 7.8579 9.9030 9.9030 9.9244 9.9244 12.3456 12.3456 12.3818 12.3818 k =-0.4744 0.2511 0.7317 ( 3760 PWs) bands (ev): -14.4350 -14.4350 -14.4349 -14.4349 -14.0626 -14.0626 -14.0626 -14.0626 -13.4248 -13.4248 -13.4244 -13.4244 -13.1320 -13.1320 -13.1319 -13.1319 -12.9862 -12.9862 -12.9856 -12.9856 -6.2517 -6.2517 -6.2517 -6.2517 -1.6199 -1.6199 -1.6198 -1.6198 5.0334 5.0334 5.0473 5.0473 5.4539 5.4539 5.4854 5.4854 7.8123 7.8123 7.8365 7.8365 9.9583 9.9583 9.9772 9.9772 12.3154 12.3154 12.3458 12.3458 k =-0.4808 0.2333 0.7317 ( 3768 PWs) bands (ev): -14.4350 -14.4350 -14.4349 -14.4349 -14.0626 -14.0626 -14.0626 -14.0626 -13.4247 -13.4247 -13.4245 -13.4245 -13.1320 -13.1320 -13.1319 -13.1319 -12.9862 -12.9862 -12.9857 -12.9857 -6.2530 -6.2530 -6.2530 -6.2530 -1.6233 -1.6233 -1.6232 -1.6232 5.0482 5.0482 5.0591 5.0591 5.4664 5.4664 5.4907 5.4907 7.8007 7.8007 7.8188 7.8188 10.0041 10.0041 10.0195 10.0195 12.2909 12.2909 12.3148 12.3148 k =-0.4872 0.2156 0.7317 ( 3760 PWs) bands (ev): -14.4350 -14.4350 -14.4349 -14.4349 -14.0626 -14.0626 -14.0626 -14.0626 -13.4247 -13.4247 -13.4245 -13.4245 -13.1320 -13.1320 -13.1319 -13.1319 -12.9861 -12.9861 -12.9858 -12.9858 -6.2539 -6.2539 -6.2539 -6.2539 -1.6256 -1.6256 -1.6256 -1.6256 5.0594 5.0594 5.0669 5.0669 5.4769 5.4769 5.4934 5.4934 7.7930 7.7930 7.8051 7.8051 10.0391 10.0391 10.0499 10.0499 12.2736 12.2736 12.2900 12.2900 k =-0.4936 0.1978 0.7317 ( 3764 PWs) bands (ev): -14.4350 -14.4350 -14.4349 -14.4349 -14.0626 -14.0626 -14.0626 -14.0626 -13.4246 -13.4246 -13.4246 -13.4246 -13.1319 -13.1319 -13.1319 -13.1319 -12.9861 -12.9861 -12.9859 -12.9859 -6.2545 -6.2545 -6.2544 -6.2544 -1.6271 -1.6271 -1.6270 -1.6270 5.0669 5.0669 5.0707 5.0707 5.4850 5.4850 5.4934 5.4934 7.7895 7.7895 7.7956 7.7956 10.0618 10.0618 10.0674 10.0674 12.2645 12.2645 12.2729 12.2729 k =-0.5000 0.1800 0.7317 ( 3764 PWs) bands (ev): -14.4349 -14.4349 -14.4349 -14.4349 -14.0626 -14.0626 -14.0626 -14.0626 -13.4246 -13.4246 -13.4246 -13.4246 -13.1319 -13.1319 -13.1319 -13.1319 -12.9860 -12.9860 -12.9860 -12.9860 -6.2546 -6.2546 -6.2546 -6.2546 -1.6275 -1.6275 -1.6275 -1.6275 5.0707 5.0707 5.0707 5.0707 5.4906 5.4906 5.4906 5.4906 7.7904 7.7904 7.7904 7.7904 10.0714 10.0714 10.0714 10.0714 12.2642 12.2642 12.2642 12.2642 k =-0.5000 0.1800 0.7317 ( 3764 PWs) bands (ev): -14.4349 -14.4349 -14.4349 -14.4349 -14.0626 -14.0626 -14.0626 -14.0626 -13.4246 -13.4246 -13.4246 -13.4246 -13.1319 -13.1319 -13.1319 -13.1319 -12.9860 -12.9860 -12.9860 -12.9860 -6.2546 -6.2546 -6.2546 -6.2546 -1.6275 -1.6275 -1.6275 -1.6275 5.0707 5.0707 5.0707 5.0707 5.4906 5.4906 5.4906 5.4906 7.7904 7.7904 7.7904 7.7904 10.0714 10.0714 10.0714 10.0714 12.2642 12.2642 12.2642 12.2642 k =-0.5000 0.1800 0.7124 ( 3758 PWs) bands (ev): -14.4363 -14.4363 -14.4341 -14.4341 -14.0627 -14.0627 -14.0625 -14.0625 -13.4263 -13.4263 -13.4232 -13.4232 -13.1321 -13.1321 -13.1317 -13.1317 -12.9860 -12.9860 -12.9859 -12.9859 -6.2639 -6.2639 -6.2454 -6.2454 -1.6315 -1.6315 -1.6172 -1.6172 5.0392 5.0392 5.0949 5.0949 5.4401 5.4401 5.5380 5.5380 7.7946 7.7946 7.7967 7.7967 10.0294 10.0294 10.1214 10.1214 12.2143 12.2143 12.2715 12.2715 k =-0.5000 0.1800 0.6931 ( 3762 PWs) bands (ev): -14.4381 -14.4381 -14.4336 -14.4336 -14.0628 -14.0628 -14.0624 -14.0624 -13.4283 -13.4283 -13.4221 -13.4221 -13.1321 -13.1321 -13.1315 -13.1315 -12.9861 -12.9861 -12.9859 -12.9859 -6.2733 -6.2733 -6.2362 -6.2362 -1.6293 -1.6293 -1.6007 -1.6007 5.0008 5.0008 5.1116 5.1116 5.3869 5.3869 5.5819 5.5819 7.8093 7.8093 7.8135 7.8135 9.9958 9.9958 10.1789 10.1789 12.1269 12.1269 12.2340 12.2340 k =-0.5000 0.1800 0.6739 ( 3762 PWs) bands (ev): -14.4404 -14.4404 -14.4337 -14.4337 -14.0628 -14.0628 -14.0622 -14.0622 -13.4306 -13.4306 -13.4214 -13.4214 -13.1321 -13.1321 -13.1312 -13.1312 -12.9861 -12.9861 -12.9859 -12.9859 -6.2826 -6.2826 -6.2271 -6.2271 -1.6207 -1.6207 -1.5779 -1.5779 4.9560 4.9560 5.1204 5.1204 5.3318 5.3318 5.6218 5.6218 7.8339 7.8339 7.8407 7.8407 9.9710 9.9710 10.2434 10.2434 12.0083 12.0083 12.1538 12.1538 k =-0.5000 0.1800 0.6546 ( 3778 PWs) bands (ev): -14.4431 -14.4431 -14.4342 -14.4342 -14.0629 -14.0629 -14.0621 -14.0621 -13.4332 -13.4332 -13.4209 -13.4209 -13.1321 -13.1321 -13.1309 -13.1309 -12.9862 -12.9862 -12.9858 -12.9858 -6.2919 -6.2919 -6.2181 -6.2181 -1.6059 -1.6059 -1.5490 -1.5490 4.9056 4.9056 5.1213 5.1213 5.2756 5.2756 5.6573 5.6573 7.8679 7.8679 7.8778 7.8778 9.9552 9.9552 10.3142 10.3142 11.8643 11.8643 12.0364 12.0364 k =-0.5000 0.1800 0.6354 ( 3782 PWs) bands (ev): -14.4462 -14.4462 -14.4353 -14.4353 -14.0629 -14.0629 -14.0619 -14.0619 -13.4360 -13.4360 -13.4209 -13.4209 -13.1320 -13.1320 -13.1305 -13.1305 -12.9862 -12.9862 -12.9858 -12.9858 -6.3011 -6.3011 -6.2092 -6.2092 -1.5849 -1.5849 -1.5139 -1.5139 4.8501 4.8501 5.1133 5.1133 5.2198 5.2198 5.6884 5.6884 7.9105 7.9105 7.9243 7.9243 9.9488 9.9488 10.3909 10.3909 11.7001 11.7001 11.8894 11.8894 k =-0.5000 0.1800 0.6161 ( 3782 PWs) bands (ev): -14.4496 -14.4496 -14.4368 -14.4368 -14.0630 -14.0630 -14.0618 -14.0618 -13.4390 -13.4390 -13.4211 -13.4211 -13.1318 -13.1318 -13.1300 -13.1300 -12.9863 -12.9863 -12.9858 -12.9858 -6.3102 -6.3102 -6.2005 -6.2005 -1.5576 -1.5576 -1.4728 -1.4728 4.7902 4.7902 5.0939 5.0939 5.1679 5.1679 5.7146 5.7146 7.9610 7.9610 7.9793 7.9793 9.9519 9.9519 10.4723 10.4723 11.5204 11.5204 11.7199 11.7199 k =-0.5000 0.1800 0.5969 ( 3776 PWs) bands (ev): -14.4535 -14.4535 -14.4387 -14.4387 -14.0630 -14.0630 -14.0616 -14.0616 -13.4421 -13.4421 -13.4217 -13.4217 -13.1316 -13.1316 -13.1295 -13.1295 -12.9863 -12.9863 -12.9858 -12.9858 -6.3193 -6.3193 -6.1920 -6.1920 -1.5242 -1.5242 -1.4256 -1.4256 4.7266 4.7266 5.0577 5.0577 5.1264 5.1264 5.7359 5.7359 8.0186 8.0186 8.0418 8.0418 9.9644 9.9644 10.5572 10.5572 11.3298 11.3298 11.5345 11.5345 k =-0.5000 0.1800 0.5776 ( 3764 PWs) bands (ev): -14.4577 -14.4577 -14.4412 -14.4412 -14.0630 -14.0630 -14.0614 -14.0614 -13.4454 -13.4454 -13.4226 -13.4226 -13.1314 -13.1314 -13.1290 -13.1290 -12.9864 -12.9864 -12.9857 -12.9857 -6.3282 -6.3282 -6.1837 -6.1837 -1.4847 -1.4847 -1.3726 -1.3726 4.6600 4.6600 5.0064 5.0064 5.0943 5.0943 5.7524 5.7524 8.0824 8.0824 8.1104 8.1104 9.9862 9.9862 10.6414 10.6414 11.1346 11.1346 11.3385 11.3385 k =-0.5000 0.1800 0.5584 ( 3764 PWs) bands (ev): -14.4622 -14.4622 -14.4441 -14.4441 -14.0630 -14.0630 -14.0612 -14.0612 -13.4488 -13.4488 -13.4238 -13.4238 -13.1311 -13.1311 -13.1284 -13.1284 -12.9865 -12.9865 -12.9857 -12.9857 -6.3369 -6.3369 -6.1756 -6.1756 -1.4391 -1.4391 -1.3138 -1.3138 4.5907 4.5907 4.9484 4.9484 5.0645 5.0645 5.7639 5.7639 8.1518 8.1518 8.1835 8.1835 10.0167 10.0167 10.7038 10.7038 10.9580 10.9580 11.1372 11.1372 k =-0.5000 0.1800 0.5391 ( 3762 PWs) bands (ev): -14.4670 -14.4670 -14.4474 -14.4474 -14.0629 -14.0629 -14.0610 -14.0610 -13.4523 -13.4523 -13.4252 -13.4252 -13.1307 -13.1307 -13.1278 -13.1278 -12.9865 -12.9865 -12.9857 -12.9857 -6.3456 -6.3456 -6.1678 -6.1678 -1.3876 -1.3876 -1.2492 -1.2492 4.5195 4.5195 4.8882 4.8882 5.0332 5.0332 5.7708 5.7708 8.2259 8.2259 8.2589 8.2589 10.0546 10.0546 10.6320 10.6320 10.9004 10.9004 10.9497 10.9497 k =-0.5000 0.1800 0.5199 ( 3756 PWs) bands (ev): -14.4721 -14.4721 -14.4511 -14.4511 -14.0629 -14.0629 -14.0608 -14.0608 -13.4559 -13.4559 -13.4270 -13.4270 -13.1303 -13.1303 -13.1271 -13.1271 -12.9866 -12.9866 -12.9857 -12.9857 -6.3540 -6.3540 -6.1602 -6.1602 -1.3303 -1.3303 -1.1790 -1.1790 4.4466 4.4466 4.8273 4.8273 4.9999 4.9999 5.7732 5.7732 8.3036 8.3036 8.3343 8.3343 10.0955 10.0955 10.4453 10.4453 10.7288 10.7288 10.9994 10.9994 k =-0.5000 0.1800 0.5006 ( 3756 PWs) bands (ev): -14.4774 -14.4774 -14.4553 -14.4553 -14.0628 -14.0628 -14.0606 -14.0606 -13.4594 -13.4594 -13.4289 -13.4289 -13.1299 -13.1299 -13.1264 -13.1264 -12.9867 -12.9867 -12.9857 -12.9857 -6.3623 -6.3623 -6.1529 -6.1529 -1.2672 -1.2672 -1.1034 -1.1034 4.3725 4.3725 4.7665 4.7665 4.9645 4.9645 5.7714 5.7714 8.3825 8.3825 8.4074 8.4074 10.1091 10.1091 10.2683 10.2683 10.5418 10.5418 11.0992 11.0992 k =-0.5000 0.1800 0.4814 ( 3752 PWs) bands (ev): -14.4829 -14.4829 -14.4598 -14.4598 -14.0628 -14.0628 -14.0604 -14.0604 -13.4630 -13.4630 -13.4311 -13.4311 -13.1294 -13.1294 -13.1257 -13.1257 -12.9868 -12.9868 -12.9857 -12.9857 -6.3703 -6.3703 -6.1459 -6.1459 -1.1986 -1.1986 -1.0225 -1.0225 4.2974 4.2974 4.7064 4.7064 4.9274 4.9274 5.7657 5.7657 8.4518 8.4518 8.4823 8.4823 9.9677 9.9677 10.2239 10.2239 10.3935 10.3935 11.2070 11.2070 k =-0.5000 0.1800 0.4621 ( 3756 PWs) bands (ev): -14.4886 -14.4886 -14.4646 -14.4646 -14.0627 -14.0627 -14.0602 -14.0602 -13.4665 -13.4665 -13.4335 -13.4335 -13.1290 -13.1290 -13.1250 -13.1250 -12.9868 -12.9868 -12.9857 -12.9857 -6.3781 -6.3781 -6.1392 -6.1392 -1.1244 -1.1244 -0.9363 -0.9363 4.2216 4.2216 4.6472 4.6472 4.8887 4.8887 5.7566 5.7566 8.4961 8.4961 8.5657 8.5657 9.7583 9.7583 10.1457 10.1457 10.3764 10.3764 11.3191 11.3191 k =-0.5000 0.1800 0.4428 ( 3748 PWs) bands (ev): -14.4944 -14.4944 -14.4698 -14.4698 -14.0626 -14.0626 -14.0600 -14.0600 -13.4699 -13.4699 -13.4360 -13.4360 -13.1285 -13.1285 -13.1242 -13.1242 -12.9869 -12.9869 -12.9857 -12.9857 -6.3857 -6.3857 -6.1327 -6.1327 -1.0449 -1.0449 -0.8452 -0.8452 4.1451 4.1451 4.5891 4.5891 4.8489 4.8489 5.7445 5.7445 8.5086 8.5086 8.6519 8.6519 9.5435 9.5435 10.0339 10.0339 10.4416 10.4416 11.4338 11.4338 k =-0.5000 0.1800 0.4236 ( 3750 PWs) bands (ev): -14.5003 -14.5003 -14.4752 -14.4752 -14.0625 -14.0625 -14.0597 -14.0597 -13.4732 -13.4732 -13.4387 -13.4387 -13.1279 -13.1279 -13.1235 -13.1235 -12.9870 -12.9870 -12.9857 -12.9857 -6.3931 -6.3931 -6.1266 -6.1266 -0.9603 -0.9603 -0.7492 -0.7492 4.0683 4.0683 4.5324 4.5324 4.8081 4.8081 5.7297 5.7297 8.4808 8.4808 8.7352 8.7352 9.3336 9.3336 9.9553 9.9553 10.5268 10.5268 11.5504 11.5504 k =-0.5000 0.1800 0.4043 ( 3742 PWs) bands (ev): -14.5063 -14.5063 -14.4808 -14.4808 -14.0624 -14.0624 -14.0595 -14.0595 -13.4764 -13.4764 -13.4415 -13.4415 -13.1274 -13.1274 -13.1227 -13.1227 -12.9871 -12.9871 -12.9857 -12.9857 -6.4002 -6.4002 -6.1208 -6.1208 -0.8707 -0.8707 -0.6486 -0.6486 3.9911 3.9911 4.4773 4.4773 4.7666 4.7666 5.7127 5.7127 8.4073 8.4073 8.7999 8.7999 9.1457 9.1457 9.9240 9.9240 10.6222 10.6222 11.6679 11.6679 k =-0.5000 0.1800 0.3851 ( 3750 PWs) bands (ev): -14.5123 -14.5123 -14.4867 -14.4867 -14.0623 -14.0623 -14.0593 -14.0593 -13.4795 -13.4795 -13.4445 -13.4445 -13.1268 -13.1268 -13.1219 -13.1219 -12.9872 -12.9872 -12.9857 -12.9857 -6.4071 -6.4071 -6.1152 -6.1152 -0.7763 -0.7763 -0.5435 -0.5435 3.9134 3.9134 4.4239 4.4239 4.7246 4.7246 5.6939 5.6939 8.2914 8.2914 8.7718 8.7718 9.0543 9.0543 9.9392 9.9392 10.7252 10.7252 11.7853 11.7853 k =-0.5000 0.1800 0.3658 ( 3750 PWs) bands (ev): -14.5182 -14.5182 -14.4927 -14.4927 -14.0622 -14.0622 -14.0591 -14.0591 -13.4824 -13.4824 -13.4474 -13.4474 -13.1263 -13.1263 -13.1211 -13.1211 -12.9872 -12.9872 -12.9857 -12.9857 -6.4136 -6.4136 -6.1100 -6.1100 -0.6773 -0.6773 -0.4343 -0.4343 3.8354 3.8354 4.3724 4.3724 4.6820 4.6820 5.6738 5.6738 8.1429 8.1429 8.6129 8.6129 9.0978 9.0978 9.9922 9.9922 10.8344 10.8344 11.8941 11.8941 k =-0.5000 0.1800 0.3466 ( 3750 PWs) bands (ev): -14.5241 -14.5241 -14.4988 -14.4988 -14.0621 -14.0621 -14.0589 -14.0589 -13.4851 -13.4851 -13.4505 -13.4505 -13.1257 -13.1257 -13.1203 -13.1203 -12.9873 -12.9873 -12.9858 -12.9858 -6.4199 -6.4199 -6.1051 -6.1051 -0.5740 -0.5740 -0.3212 -0.3212 3.7569 3.7569 4.3228 4.3228 4.6391 4.6391 5.6526 5.6526 7.9724 7.9724 8.4194 8.4194 9.1802 9.1802 10.0728 10.0728 10.9489 10.9489 11.8888 11.8888 k =-0.5000 0.1800 0.3273 ( 3752 PWs) bands (ev): -14.5299 -14.5299 -14.5049 -14.5049 -14.0620 -14.0620 -14.0586 -14.0586 -13.4876 -13.4876 -13.4536 -13.4536 -13.1252 -13.1252 -13.1196 -13.1196 -12.9874 -12.9874 -12.9858 -12.9858 -6.4260 -6.4260 -6.1005 -6.1005 -0.4665 -0.4665 -0.2046 -0.2046 3.6778 3.6778 4.2754 4.2754 4.5958 4.5958 5.6308 5.6308 7.7888 7.7888 8.2219 8.2219 9.2712 9.2712 10.1727 10.1727 11.0680 11.0680 11.8441 11.8441 k =-0.5000 0.1800 0.3081 ( 3752 PWs) bands (ev): -14.5356 -14.5356 -14.5111 -14.5111 -14.0619 -14.0619 -14.0584 -14.0584 -13.4899 -13.4899 -13.4567 -13.4567 -13.1246 -13.1246 -13.1188 -13.1188 -12.9875 -12.9875 -12.9858 -12.9858 -6.4317 -6.4317 -6.0962 -6.0962 -0.3553 -0.3553 -0.0846 -0.0846 3.5980 3.5980 4.2301 4.2301 4.5520 4.5520 5.6086 5.6086 7.5984 7.5984 8.0269 8.0269 9.3645 9.3645 10.2859 10.2859 11.1908 11.1908 11.8008 11.8008 k =-0.5000 0.1800 0.2888 ( 3744 PWs) bands (ev): -14.5411 -14.5411 -14.5172 -14.5172 -14.0617 -14.0617 -14.0582 -14.0582 -13.4919 -13.4919 -13.4597 -13.4597 -13.1241 -13.1241 -13.1181 -13.1181 -12.9876 -12.9876 -12.9858 -12.9858 -6.4371 -6.4371 -6.0922 -6.0922 -0.2405 -0.2405 0.0381 0.0381 3.5172 3.5172 4.1871 4.1871 4.5076 4.5076 5.5864 5.5864 7.4056 7.4056 7.8371 7.8371 9.4578 9.4578 10.4084 10.4084 11.3165 11.3165 11.7607 11.7607 k =-0.5000 0.1800 0.2696 ( 3744 PWs) bands (ev): -14.5464 -14.5464 -14.5233 -14.5233 -14.0616 -14.0616 -14.0580 -14.0580 -13.4938 -13.4938 -13.4628 -13.4628 -13.1235 -13.1235 -13.1174 -13.1174 -12.9876 -12.9876 -12.9859 -12.9859 -6.4422 -6.4422 -6.0885 -6.0885 -0.1225 -0.1225 0.1632 0.1632 3.4352 3.4352 4.1465 4.1465 4.4624 4.4624 5.5645 5.5645 7.2138 7.2138 7.6537 7.6537 9.5501 9.5501 10.5372 10.5372 11.4433 11.4433 11.7249 11.7249 k =-0.5000 0.1800 0.2503 ( 3746 PWs) bands (ev): -14.5514 -14.5514 -14.5293 -14.5293 -14.0615 -14.0615 -14.0579 -14.0579 -13.4954 -13.4954 -13.4658 -13.4658 -13.1230 -13.1230 -13.1167 -13.1167 -12.9877 -12.9877 -12.9859 -12.9859 -6.4470 -6.4470 -6.0850 -6.0850 -0.0017 -0.0017 0.2902 0.2902 3.3520 3.3520 4.1083 4.1083 4.4163 4.4163 5.5430 5.5430 7.0254 7.0254 7.4780 7.4780 9.6403 9.6403 10.6702 10.6702 11.5646 11.5646 11.6994 11.6994 k =-0.5000 0.1800 0.2310 ( 3742 PWs) bands (ev): -14.5562 -14.5562 -14.5350 -14.5350 -14.0614 -14.0614 -14.0577 -14.0577 -13.4968 -13.4968 -13.4687 -13.4687 -13.1225 -13.1225 -13.1160 -13.1160 -12.9878 -12.9878 -12.9859 -12.9859 -6.4514 -6.4514 -6.0819 -6.0819 0.1214 0.1214 0.4183 0.4183 3.2671 3.2671 4.0726 4.0726 4.3689 4.3689 5.5223 5.5223 6.8426 6.8426 7.3109 7.3109 9.7278 9.7278 10.8054 10.8054 11.6252 11.6252 11.7386 11.7386 k =-0.5000 0.1800 0.2118 ( 3744 PWs) bands (ev): -14.5606 -14.5606 -14.5406 -14.5406 -14.0613 -14.0613 -14.0575 -14.0575 -13.4980 -13.4980 -13.4716 -13.4716 -13.1221 -13.1221 -13.1154 -13.1154 -12.9878 -12.9878 -12.9859 -12.9859 -6.4555 -6.4555 -6.0790 -6.0790 0.2465 0.2465 0.5468 0.5468 3.1805 3.1805 4.0393 4.0393 4.3202 4.3202 5.5026 5.5026 6.6673 6.6673 7.1535 7.1535 9.8117 9.8117 10.9414 10.9414 11.6097 11.6097 11.8571 11.8571 k =-0.5000 0.1800 0.1925 ( 3740 PWs) bands (ev): -14.5647 -14.5647 -14.5459 -14.5459 -14.0612 -14.0612 -14.0574 -14.0574 -13.4989 -13.4989 -13.4744 -13.4744 -13.1217 -13.1217 -13.1148 -13.1148 -12.9879 -12.9879 -12.9860 -12.9860 -6.4593 -6.4593 -6.0764 -6.0764 0.3729 0.3729 0.6749 0.6749 3.0920 3.0920 4.0085 4.0085 4.2699 4.2699 5.4839 5.4839 6.5013 6.5013 7.0064 7.0064 9.8915 9.8915 11.0767 11.0767 11.5860 11.5860 11.9859 11.9859 k =-0.5000 0.1800 0.1733 ( 3746 PWs) bands (ev): -14.5685 -14.5685 -14.5509 -14.5509 -14.0611 -14.0611 -14.0572 -14.0572 -13.4996 -13.4996 -13.4771 -13.4771 -13.1212 -13.1212 -13.1143 -13.1143 -12.9879 -12.9879 -12.9860 -12.9860 -6.4628 -6.4628 -6.0741 -6.0741 0.4999 0.4999 0.8013 0.8013 3.0017 3.0017 3.9802 3.9802 4.2179 4.2179 5.4666 5.4666 6.3464 6.3464 6.8707 6.8707 9.9663 9.9663 11.2098 11.2098 11.5631 11.5631 12.1148 12.1148 k =-0.5000 0.1800 0.1540 ( 3742 PWs) bands (ev): -14.5718 -14.5718 -14.5556 -14.5556 -14.0611 -14.0611 -14.0571 -14.0571 -13.5001 -13.5001 -13.4797 -13.4797 -13.1209 -13.1209 -13.1138 -13.1138 -12.9880 -12.9880 -12.9860 -12.9860 -6.4659 -6.4659 -6.0720 -6.0720 0.6267 0.6267 0.9247 0.9247 2.9098 2.9098 3.9541 3.9541 4.1647 4.1647 5.4507 5.4507 6.2040 6.2040 6.7471 6.7471 10.0356 10.0356 11.3389 11.3389 11.5425 11.5425 12.2408 12.2408 k =-0.5000 0.1800 0.1348 ( 3742 PWs) bands (ev): -14.5747 -14.5747 -14.5598 -14.5598 -14.0610 -14.0610 -14.0570 -14.0570 -13.5004 -13.5004 -13.4821 -13.4821 -13.1205 -13.1205 -13.1134 -13.1134 -12.9880 -12.9880 -12.9860 -12.9860 -6.4686 -6.4686 -6.0702 -6.0702 0.7522 0.7522 1.0435 1.0435 2.8167 2.8167 3.9301 3.9301 4.1109 4.1109 5.4363 5.4363 6.0757 6.0757 6.6363 6.6363 10.0985 10.0985 11.4622 11.4622 11.5244 11.5244 12.3620 12.3620 k =-0.5000 0.1800 0.1155 ( 3748 PWs) bands (ev): -14.5772 -14.5772 -14.5637 -14.5637 -14.0609 -14.0609 -14.0569 -14.0569 -13.5004 -13.5004 -13.4844 -13.4844 -13.1203 -13.1203 -13.1130 -13.1130 -12.9881 -12.9881 -12.9861 -12.9861 -6.4710 -6.4710 -6.0686 -6.0686 0.8749 0.8749 1.1555 1.1555 2.7232 2.7232 3.9077 3.9077 4.0580 4.0580 5.4236 5.4236 5.9628 5.9628 6.5389 6.5389 10.1546 10.1546 11.5086 11.5086 11.5777 11.5777 12.4760 12.4760 k =-0.5000 0.1800 0.0963 ( 3746 PWs) bands (ev): -14.5793 -14.5793 -14.5671 -14.5671 -14.0609 -14.0609 -14.0568 -14.0568 -13.5003 -13.5003 -13.4866 -13.4866 -13.1200 -13.1200 -13.1127 -13.1127 -12.9881 -12.9881 -12.9861 -12.9861 -6.4730 -6.4730 -6.0673 -6.0673 0.9929 0.9929 1.2584 1.2584 2.6309 2.6309 3.8860 3.8860 4.0086 4.0086 5.4128 5.4128 5.8663 5.8663 6.4556 6.4556 10.2031 10.2031 11.4957 11.4957 11.6826 11.6826 12.5805 12.5805 k =-0.5000 0.1800 0.0770 ( 3756 PWs) bands (ev): -14.5809 -14.5809 -14.5699 -14.5699 -14.0608 -14.0608 -14.0567 -14.0567 -13.4999 -13.4999 -13.4886 -13.4886 -13.1198 -13.1198 -13.1124 -13.1124 -12.9881 -12.9881 -12.9861 -12.9861 -6.4747 -6.4747 -6.0662 -6.0662 1.1032 1.1032 1.3493 1.3493 2.5422 2.5422 3.8636 3.8636 3.9663 3.9663 5.4038 5.4038 5.7868 5.7868 6.3868 6.3868 10.2436 10.2436 11.4851 11.4851 11.7743 11.7743 12.6724 12.6724 k =-0.5000 0.1800 0.0578 ( 3772 PWs) bands (ev): -14.5822 -14.5822 -14.5723 -14.5723 -14.0608 -14.0608 -14.0566 -14.0566 -13.4994 -13.4994 -13.4903 -13.4903 -13.1196 -13.1196 -13.1122 -13.1122 -12.9881 -12.9881 -12.9861 -12.9861 -6.4760 -6.4760 -6.0654 -6.0654 1.2016 1.2016 1.4250 1.4250 2.4610 2.4610 3.8398 3.8398 3.9348 3.9348 5.3967 5.3967 5.7248 5.7248 6.3329 6.3329 10.2756 10.2756 11.4771 11.4771 11.8500 11.8500 12.7487 12.7487 k =-0.5000 0.1800 0.0385 ( 3764 PWs) bands (ev): -14.5830 -14.5830 -14.5740 -14.5740 -14.0607 -14.0607 -14.0566 -14.0566 -13.4988 -13.4988 -13.4919 -13.4919 -13.1195 -13.1195 -13.1120 -13.1120 -12.9881 -12.9881 -12.9861 -12.9861 -6.4769 -6.4769 -6.0648 -6.0648 1.2819 1.2819 1.4822 1.4822 2.3933 2.3933 3.8171 3.8171 3.9148 3.9148 5.3916 5.3916 5.6805 5.6805 6.2942 6.2942 10.2987 10.2987 11.4714 11.4714 11.9067 11.9067 12.8062 12.8062 k =-0.5000 0.1800 0.0193 ( 3772 PWs) bands (ev): -14.5835 -14.5835 -14.5750 -14.5750 -14.0607 -14.0607 -14.0566 -14.0566 -13.4982 -13.4982 -13.4930 -13.4930 -13.1194 -13.1194 -13.1119 -13.1119 -12.9881 -12.9881 -12.9861 -12.9861 -6.4775 -6.4775 -6.0644 -6.0644 1.3357 1.3357 1.5178 1.5178 2.3471 2.3471 3.8006 3.8006 3.9042 3.9042 5.3886 5.3886 5.6540 5.6540 6.2710 6.2710 10.3126 10.3126 11.4680 11.4680 11.9418 11.9418 12.8420 12.8420 k =-0.5000 0.1800-0.0000 ( 3768 PWs) bands (ev): -14.5836 -14.5836 -14.5754 -14.5754 -14.0607 -14.0607 -14.0566 -14.0566 -13.4980 -13.4980 -13.4934 -13.4934 -13.1194 -13.1194 -13.1119 -13.1119 -12.9882 -12.9882 -12.9861 -12.9861 -6.4777 -6.4777 -6.0643 -6.0643 1.3549 1.3549 1.5300 1.5300 2.3305 2.3305 3.7946 3.7946 3.9009 3.9009 5.3876 5.3876 5.6451 5.6451 6.2632 6.2632 10.3173 10.3173 11.4669 11.4669 11.9538 11.9538 12.8542 12.8542 k = 0.0000 0.0000 0.7317 ( 3754 PWs) bands (ev): -14.4350 -14.4350 -14.4350 -14.4350 -14.0628 -14.0628 -14.0628 -14.0628 -13.4248 -13.4248 -13.4248 -13.4248 -13.1311 -13.1311 -13.1311 -13.1311 -12.9869 -12.9869 -12.9869 -12.9869 -6.3001 -6.3001 -6.3001 -6.3001 -1.3139 -1.3139 -1.3139 -1.3139 3.8804 3.8804 3.8804 3.8804 5.5890 5.5890 5.5890 5.5890 9.0803 9.0803 9.0803 9.0803 9.6455 9.6455 9.6455 9.6455 11.7992 11.7992 11.7992 11.7992 k =-0.0179 0.0064 0.7317 ( 3754 PWs) bands (ev): -14.4350 -14.4350 -14.4350 -14.4350 -14.0628 -14.0628 -14.0628 -14.0628 -13.4248 -13.4248 -13.4248 -13.4248 -13.1311 -13.1311 -13.1311 -13.1311 -12.9869 -12.9869 -12.9869 -12.9869 -6.3000 -6.3000 -6.3000 -6.3000 -1.3150 -1.3150 -1.3150 -1.3150 3.8835 3.8835 3.8835 3.8835 5.5886 5.5886 5.5886 5.5886 9.0769 9.0769 9.0769 9.0769 9.6465 9.6465 9.6465 9.6465 11.8016 11.8016 11.8016 11.8016 k =-0.0357 0.0129 0.7317 ( 3746 PWs) bands (ev): -14.4350 -14.4350 -14.4350 -14.4350 -14.0628 -14.0628 -14.0628 -14.0628 -13.4248 -13.4248 -13.4248 -13.4248 -13.1311 -13.1311 -13.1311 -13.1311 -12.9869 -12.9869 -12.9869 -12.9869 -6.2995 -6.2995 -6.2995 -6.2995 -1.3182 -1.3182 -1.3182 -1.3182 3.8926 3.8926 3.8926 3.8926 5.5877 5.5877 5.5877 5.5877 9.0668 9.0668 9.0668 9.0668 9.6495 9.6495 9.6495 9.6495 11.8086 11.8086 11.8086 11.8086 k =-0.0536 0.0193 0.7317 ( 3754 PWs) bands (ev): -14.4350 -14.4350 -14.4350 -14.4350 -14.0628 -14.0628 -14.0628 -14.0628 -13.4248 -13.4248 -13.4248 -13.4248 -13.1311 -13.1311 -13.1311 -13.1311 -12.9869 -12.9869 -12.9869 -12.9869 -6.2989 -6.2989 -6.2989 -6.2989 -1.3234 -1.3234 -1.3234 -1.3234 3.9078 3.9078 3.9078 3.9078 5.5860 5.5860 5.5860 5.5860 9.0499 9.0499 9.0499 9.0499 9.6545 9.6545 9.6545 9.6545 11.8202 11.8202 11.8202 11.8202 k =-0.0714 0.0257 0.7317 ( 3754 PWs) bands (ev): -14.4350 -14.4350 -14.4350 -14.4350 -14.0628 -14.0628 -14.0628 -14.0628 -13.4248 -13.4248 -13.4248 -13.4248 -13.1311 -13.1311 -13.1311 -13.1311 -12.9869 -12.9869 -12.9869 -12.9869 -6.2979 -6.2979 -6.2979 -6.2979 -1.3307 -1.3307 -1.3307 -1.3307 3.9289 3.9289 3.9289 3.9289 5.5838 5.5838 5.5838 5.5838 9.0265 9.0265 9.0265 9.0265 9.6617 9.6617 9.6617 9.6617 11.8359 11.8359 11.8359 11.8359 k =-0.0893 0.0321 0.7317 ( 3754 PWs) bands (ev): -14.4350 -14.4350 -14.4350 -14.4350 -14.0628 -14.0628 -14.0628 -14.0628 -13.4248 -13.4248 -13.4248 -13.4248 -13.1311 -13.1311 -13.1311 -13.1311 -12.9868 -12.9868 -12.9868 -12.9868 -6.2967 -6.2967 -6.2967 -6.2967 -1.3399 -1.3399 -1.3399 -1.3399 3.9557 3.9557 3.9557 3.9557 5.5810 5.5810 5.5810 5.5810 8.9966 8.9966 8.9966 8.9966 9.6710 9.6710 9.6710 9.6710 11.8555 11.8555 11.8555 11.8555 k =-0.1071 0.0386 0.7317 ( 3754 PWs) bands (ev): -14.4350 -14.4350 -14.4350 -14.4350 -14.0628 -14.0628 -14.0628 -14.0628 -13.4248 -13.4248 -13.4248 -13.4248 -13.1312 -13.1312 -13.1312 -13.1312 -12.9868 -12.9868 -12.9868 -12.9868 -6.2952 -6.2952 -6.2952 -6.2952 -1.3508 -1.3508 -1.3508 -1.3508 3.9880 3.9880 3.9880 3.9880 5.5777 5.5777 5.5777 5.5777 8.9606 8.9606 8.9606 8.9606 9.6826 9.6826 9.6826 9.6826 11.8784 11.8784 11.8784 11.8784 k =-0.1250 0.0450 0.7317 ( 3754 PWs) bands (ev): -14.4350 -14.4350 -14.4350 -14.4350 -14.0628 -14.0628 -14.0628 -14.0628 -13.4248 -13.4248 -13.4248 -13.4248 -13.1312 -13.1312 -13.1312 -13.1312 -12.9868 -12.9868 -12.9868 -12.9868 -6.2936 -6.2936 -6.2936 -6.2936 -1.3632 -1.3632 -1.3632 -1.3632 4.0255 4.0255 4.0255 4.0255 5.5739 5.5739 5.5739 5.5739 8.9187 8.9187 8.9187 8.9187 9.6964 9.6964 9.6964 9.6964 11.9042 11.9042 11.9042 11.9042 k =-0.1429 0.0514 0.7317 ( 3758 PWs) bands (ev): -14.4350 -14.4350 -14.4350 -14.4350 -14.0628 -14.0628 -14.0628 -14.0628 -13.4248 -13.4248 -13.4248 -13.4248 -13.1312 -13.1312 -13.1312 -13.1312 -12.9867 -12.9867 -12.9867 -12.9867 -6.2917 -6.2917 -6.2917 -6.2917 -1.3771 -1.3771 -1.3771 -1.3771 4.0680 4.0680 4.0680 4.0680 5.5696 5.5696 5.5696 5.5696 8.8713 8.8713 8.8713 8.8713 9.7123 9.7123 9.7123 9.7123 11.9321 11.9321 11.9321 11.9321 k =-0.1607 0.0579 0.7317 ( 3770 PWs) bands (ev): -14.4350 -14.4350 -14.4350 -14.4350 -14.0628 -14.0628 -14.0628 -14.0628 -13.4247 -13.4247 -13.4247 -13.4247 -13.1313 -13.1313 -13.1313 -13.1313 -12.9867 -12.9867 -12.9867 -12.9867 -6.2897 -6.2897 -6.2897 -6.2897 -1.3921 -1.3921 -1.3921 -1.3921 4.1150 4.1150 4.1150 4.1150 5.5649 5.5649 5.5649 5.5649 8.8190 8.8190 8.8190 8.8190 9.7301 9.7301 9.7301 9.7301 11.9617 11.9617 11.9617 11.9617 k =-0.1786 0.0643 0.7317 ( 3770 PWs) bands (ev): -14.4350 -14.4350 -14.4350 -14.4350 -14.0628 -14.0628 -14.0628 -14.0628 -13.4247 -13.4247 -13.4247 -13.4247 -13.1313 -13.1313 -13.1313 -13.1313 -12.9867 -12.9867 -12.9867 -12.9867 -6.2875 -6.2875 -6.2875 -6.2875 -1.4080 -1.4080 -1.4080 -1.4080 4.1662 4.1662 4.1662 4.1662 5.5600 5.5600 5.5600 5.5600 8.7622 8.7622 8.7622 8.7622 9.7497 9.7497 9.7497 9.7497 11.9923 11.9923 11.9923 11.9923 k =-0.1964 0.0707 0.7317 ( 3766 PWs) bands (ev): -14.4350 -14.4350 -14.4350 -14.4350 -14.0627 -14.0627 -14.0627 -14.0627 -13.4247 -13.4247 -13.4247 -13.4247 -13.1314 -13.1314 -13.1314 -13.1314 -12.9866 -12.9866 -12.9866 -12.9866 -6.2851 -6.2851 -6.2851 -6.2851 -1.4248 -1.4248 -1.4248 -1.4248 4.2212 4.2212 4.2212 4.2212 5.5548 5.5548 5.5548 5.5548 8.7014 8.7014 8.7014 8.7014 9.7708 9.7708 9.7708 9.7708 12.0233 12.0233 12.0233 12.0233 k =-0.2143 0.0771 0.7317 ( 3764 PWs) bands (ev): -14.4350 -14.4350 -14.4350 -14.4350 -14.0627 -14.0627 -14.0627 -14.0627 -13.4247 -13.4247 -13.4247 -13.4247 -13.1314 -13.1314 -13.1314 -13.1314 -12.9866 -12.9866 -12.9866 -12.9866 -6.2827 -6.2827 -6.2827 -6.2827 -1.4420 -1.4420 -1.4420 -1.4420 4.2795 4.2795 4.2795 4.2795 5.5494 5.5494 5.5494 5.5494 8.6373 8.6373 8.6373 8.6373 9.7933 9.7933 9.7933 9.7933 12.0540 12.0540 12.0540 12.0540 k =-0.2321 0.0836 0.7317 ( 3764 PWs) bands (ev): -14.4350 -14.4350 -14.4350 -14.4350 -14.0627 -14.0627 -14.0627 -14.0627 -13.4247 -13.4247 -13.4247 -13.4247 -13.1315 -13.1315 -13.1315 -13.1315 -12.9865 -12.9865 -12.9865 -12.9865 -6.2802 -6.2802 -6.2802 -6.2802 -1.4595 -1.4595 -1.4595 -1.4595 4.3406 4.3406 4.3406 4.3406 5.5439 5.5439 5.5439 5.5439 8.5705 8.5705 8.5705 8.5705 9.8167 9.8167 9.8167 9.8167 12.0839 12.0839 12.0839 12.0839 k =-0.2500 0.0900 0.7317 ( 3762 PWs) bands (ev): -14.4350 -14.4350 -14.4350 -14.4350 -14.0627 -14.0627 -14.0627 -14.0627 -13.4247 -13.4247 -13.4247 -13.4247 -13.1315 -13.1315 -13.1315 -13.1315 -12.9865 -12.9865 -12.9865 -12.9865 -6.2777 -6.2777 -6.2777 -6.2777 -1.4771 -1.4771 -1.4771 -1.4771 4.4038 4.4038 4.4038 4.4038 5.5384 5.5384 5.5384 5.5384 8.5015 8.5015 8.5015 8.5015 9.8407 9.8407 9.8407 9.8407 12.1123 12.1123 12.1123 12.1123 k =-0.2679 0.0964 0.7317 ( 3762 PWs) bands (ev): -14.4350 -14.4350 -14.4350 -14.4350 -14.0627 -14.0627 -14.0627 -14.0627 -13.4247 -13.4247 -13.4247 -13.4247 -13.1316 -13.1316 -13.1316 -13.1316 -12.9864 -12.9864 -12.9864 -12.9864 -6.2751 -6.2751 -6.2751 -6.2751 -1.4945 -1.4945 -1.4945 -1.4945 4.4687 4.4687 4.4687 4.4687 5.5329 5.5329 5.5329 5.5329 8.4312 8.4312 8.4312 8.4312 9.8652 9.8652 9.8652 9.8652 12.1388 12.1388 12.1388 12.1388 k =-0.2857 0.1029 0.7317 ( 3760 PWs) bands (ev): -14.4350 -14.4350 -14.4350 -14.4350 -14.0627 -14.0627 -14.0627 -14.0627 -13.4247 -13.4247 -13.4247 -13.4247 -13.1316 -13.1316 -13.1316 -13.1316 -12.9863 -12.9863 -12.9863 -12.9863 -6.2726 -6.2726 -6.2726 -6.2726 -1.5115 -1.5115 -1.5115 -1.5115 4.5345 4.5345 4.5345 4.5345 5.5275 5.5275 5.5275 5.5275 8.3601 8.3601 8.3601 8.3601 9.8897 9.8897 9.8897 9.8897 12.1630 12.1630 12.1630 12.1630 k =-0.3036 0.1093 0.7317 ( 3764 PWs) bands (ev): -14.4350 -14.4350 -14.4350 -14.4350 -14.0627 -14.0627 -14.0627 -14.0627 -13.4247 -13.4247 -13.4247 -13.4247 -13.1316 -13.1316 -13.1316 -13.1316 -12.9863 -12.9863 -12.9863 -12.9863 -6.2701 -6.2701 -6.2701 -6.2701 -1.5280 -1.5280 -1.5280 -1.5280 4.6005 4.6005 4.6005 4.6005 5.5223 5.5223 5.5223 5.5223 8.2891 8.2891 8.2891 8.2891 9.9139 9.9139 9.9139 9.9139 12.1845 12.1845 12.1845 12.1845 k =-0.3214 0.1157 0.7317 ( 3768 PWs) bands (ev): -14.4350 -14.4350 -14.4350 -14.4350 -14.0627 -14.0627 -14.0627 -14.0627 -13.4247 -13.4247 -13.4247 -13.4247 -13.1317 -13.1317 -13.1317 -13.1317 -12.9862 -12.9862 -12.9862 -12.9862 -6.2677 -6.2677 -6.2677 -6.2677 -1.5437 -1.5437 -1.5437 -1.5437 4.6659 4.6659 4.6659 4.6659 5.5173 5.5173 5.5173 5.5173 8.2190 8.2190 8.2190 8.2190 9.9375 9.9375 9.9375 9.9375 12.2031 12.2031 12.2031 12.2031 k =-0.3393 0.1222 0.7317 ( 3768 PWs) bands (ev): -14.4350 -14.4350 -14.4350 -14.4350 -14.0627 -14.0627 -14.0627 -14.0627 -13.4246 -13.4246 -13.4246 -13.4246 -13.1317 -13.1317 -13.1317 -13.1317 -12.9862 -12.9862 -12.9862 -12.9862 -6.2655 -6.2655 -6.2655 -6.2655 -1.5585 -1.5585 -1.5585 -1.5585 4.7299 4.7299 4.7299 4.7299 5.5126 5.5126 5.5126 5.5126 8.1507 8.1507 8.1507 8.1507 9.9601 9.9601 9.9601 9.9601 12.2188 12.2188 12.2188 12.2188 k =-0.3571 0.1286 0.7317 ( 3768 PWs) bands (ev): -14.4350 -14.4350 -14.4350 -14.4350 -14.0626 -14.0626 -14.0626 -14.0626 -13.4246 -13.4246 -13.4246 -13.4246 -13.1318 -13.1318 -13.1318 -13.1318 -12.9862 -12.9862 -12.9862 -12.9862 -6.2634 -6.2634 -6.2634 -6.2634 -1.5722 -1.5722 -1.5722 -1.5722 4.7914 4.7914 4.7914 4.7914 5.5083 5.5083 5.5083 5.5083 8.0852 8.0852 8.0852 8.0852 9.9814 9.9814 9.9814 9.9814 12.2315 12.2315 12.2315 12.2315 k =-0.3750 0.1350 0.7317 ( 3764 PWs) bands (ev): -14.4349 -14.4349 -14.4349 -14.4349 -14.0626 -14.0626 -14.0626 -14.0626 -13.4246 -13.4246 -13.4246 -13.4246 -13.1318 -13.1318 -13.1318 -13.1318 -12.9861 -12.9861 -12.9861 -12.9861 -6.2614 -6.2614 -6.2614 -6.2614 -1.5846 -1.5846 -1.5846 -1.5846 4.8495 4.8495 4.8495 4.8495 5.5043 5.5043 5.5043 5.5043 8.0236 8.0236 8.0236 8.0236 10.0010 10.0010 10.0010 10.0010 12.2416 12.2416 12.2416 12.2416 k =-0.3929 0.1414 0.7317 ( 3764 PWs) bands (ev): -14.4349 -14.4349 -14.4349 -14.4349 -14.0626 -14.0626 -14.0626 -14.0626 -13.4246 -13.4246 -13.4246 -13.4246 -13.1318 -13.1318 -13.1318 -13.1318 -12.9861 -12.9861 -12.9861 -12.9861 -6.2597 -6.2597 -6.2597 -6.2597 -1.5956 -1.5956 -1.5956 -1.5956 4.9032 4.9032 4.9032 4.9032 5.5008 5.5008 5.5008 5.5008 7.9668 7.9668 7.9668 7.9668 10.0188 10.0188 10.0188 10.0188 12.2493 12.2493 12.2493 12.2493 k =-0.4107 0.1479 0.7317 ( 3764 PWs) bands (ev): -14.4349 -14.4349 -14.4349 -14.4349 -14.0626 -14.0626 -14.0626 -14.0626 -13.4246 -13.4246 -13.4246 -13.4246 -13.1319 -13.1319 -13.1319 -13.1319 -12.9861 -12.9861 -12.9861 -12.9861 -6.2582 -6.2582 -6.2582 -6.2582 -1.6052 -1.6052 -1.6052 -1.6052 4.9512 4.9512 4.9512 4.9512 5.4977 5.4977 5.4977 5.4977 7.9161 7.9161 7.9161 7.9161 10.0343 10.0343 10.0343 10.0343 12.2549 12.2549 12.2549 12.2549 k =-0.4286 0.1543 0.7317 ( 3768 PWs) bands (ev): -14.4349 -14.4349 -14.4349 -14.4349 -14.0626 -14.0626 -14.0626 -14.0626 -13.4246 -13.4246 -13.4246 -13.4246 -13.1319 -13.1319 -13.1319 -13.1319 -12.9860 -12.9860 -12.9860 -12.9860 -6.2569 -6.2569 -6.2569 -6.2569 -1.6131 -1.6131 -1.6131 -1.6131 4.9924 4.9924 4.9924 4.9924 5.4952 5.4952 5.4952 5.4952 7.8727 7.8727 7.8727 7.8727 10.0474 10.0474 10.0474 10.0474 12.2588 12.2588 12.2588 12.2588 k =-0.4464 0.1607 0.7317 ( 3768 PWs) bands (ev): -14.4349 -14.4349 -14.4349 -14.4349 -14.0626 -14.0626 -14.0626 -14.0626 -13.4246 -13.4246 -13.4246 -13.4246 -13.1319 -13.1319 -13.1319 -13.1319 -12.9860 -12.9860 -12.9860 -12.9860 -6.2559 -6.2559 -6.2559 -6.2559 -1.6194 -1.6194 -1.6194 -1.6194 5.0258 5.0258 5.0258 5.0258 5.4932 5.4932 5.4932 5.4932 7.8375 7.8375 7.8375 7.8375 10.0578 10.0578 10.0578 10.0578 12.2614 12.2614 12.2614 12.2614 k =-0.4643 0.1672 0.7317 ( 3758 PWs) bands (ev): -14.4349 -14.4349 -14.4349 -14.4349 -14.0626 -14.0626 -14.0626 -14.0626 -13.4246 -13.4246 -13.4246 -13.4246 -13.1319 -13.1319 -13.1319 -13.1319 -12.9860 -12.9860 -12.9860 -12.9860 -6.2552 -6.2552 -6.2552 -6.2552 -1.6239 -1.6239 -1.6239 -1.6239 5.0505 5.0505 5.0505 5.0505 5.4918 5.4918 5.4918 5.4918 7.8116 7.8116 7.8116 7.8116 10.0653 10.0653 10.0653 10.0653 12.2631 12.2631 12.2631 12.2631 k =-0.4821 0.1736 0.7317 ( 3762 PWs) bands (ev): -14.4349 -14.4349 -14.4349 -14.4349 -14.0626 -14.0626 -14.0626 -14.0626 -13.4246 -13.4246 -13.4246 -13.4246 -13.1319 -13.1319 -13.1319 -13.1319 -12.9860 -12.9860 -12.9860 -12.9860 -6.2548 -6.2548 -6.2548 -6.2548 -1.6266 -1.6266 -1.6266 -1.6266 5.0656 5.0656 5.0656 5.0656 5.4909 5.4909 5.4909 5.4909 7.7957 7.7957 7.7957 7.7957 10.0699 10.0699 10.0699 10.0699 12.2639 12.2639 12.2639 12.2639 k =-0.5000 0.1800 0.7317 ( 3764 PWs) bands (ev): -14.4349 -14.4349 -14.4349 -14.4349 -14.0626 -14.0626 -14.0626 -14.0626 -13.4246 -13.4246 -13.4246 -13.4246 -13.1319 -13.1319 -13.1319 -13.1319 -12.9860 -12.9860 -12.9860 -12.9860 -6.2546 -6.2546 -6.2546 -6.2546 -1.6275 -1.6275 -1.6275 -1.6275 5.0707 5.0707 5.0707 5.0707 5.4906 5.4906 5.4906 5.4906 7.7904 7.7904 7.7904 7.7904 10.0714 10.0714 10.0714 10.0714 12.2642 12.2642 12.2642 12.2642 Writing output data file SnS.save init_run : 0.70s CPU 0.84s WALL ( 1 calls) electrons : 133.94s CPU 138.65s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.05s WALL ( 1 calls) Called by electrons: c_bands : 133.93s CPU 138.63s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.06s CPU 0.08s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.07s WALL ( 404 calls) cegterg : 121.10s CPU 122.75s WALL ( 443 calls) Called by sum_band: Called by *egterg: h_psi : 73.18s CPU 74.54s WALL ( 7236 calls) s_psi : 4.95s CPU 4.88s WALL ( 7236 calls) g_psi : 0.24s CPU 0.21s WALL ( 6389 calls) cdiaghg : 39.32s CPU 39.86s WALL ( 6793 calls) cegterg:over : 4.64s CPU 4.75s WALL ( 6389 calls) cegterg:upda : 3.45s CPU 3.61s WALL ( 6389 calls) cegterg:last : 2.43s CPU 2.34s WALL ( 1251 calls) cdiaghg:chol : 2.23s CPU 2.23s WALL ( 6793 calls) cdiaghg:inve : 1.43s CPU 1.42s WALL ( 6793 calls) cdiaghg:para : 2.20s CPU 2.28s WALL ( 13586 calls) Called by h_psi: h_psi:vloc : 62.45s CPU 63.61s WALL ( 7236 calls) h_psi:vnl : 10.54s CPU 10.73s WALL ( 7236 calls) add_vuspsi : 5.56s CPU 5.67s WALL ( 7236 calls) General routines calbec : 4.96s CPU 5.05s WALL ( 7236 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 58.04s CPU 59.02s WALL ( 764064 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.19s CPU 0.25s WALL ( 808 calls) Parallel routines fft_scatter : 20.29s CPU 20.61s WALL ( 764087 calls) PWSCF : 2m31.45s CPU 3m34.25s WALL This run was terminated on: 21:21:11 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=