Program PWSCF v.5.4.0 starts on 12Feb2017 at 1:51:32 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI & OpenMP), running on 72 processor cores Number of MPI processes: 36 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./BH6N.save/ file B.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 43 24 7 1630 685 113 Max 45 25 8 1636 705 116 Sum 1571 887 269 58767 25009 4099 bravais-lattice index = 14 lattice parameter (alat) = 7.7901 a.u. unit-cell volume = 594.0476 (a.u.)^3 number of atoms/cell = 16 number of atomic types = 3 number of electrons = 28.00 number of Kohn-Sham states= 36 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 325.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.790117 celldm(2)= 1.000000 celldm(3)= 1.257559 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.039496 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.039496 0.999220 0.000000 ) a(3) = ( 0.000000 0.000000 1.257559 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.039526 -0.000000 ) b(2) = ( 0.000000 1.000781 -0.000000 ) b(3) = ( 0.000000 0.000000 0.795192 ) PseudoPot. # 1 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for B read from file: /users/gautes/Pseudo/B.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e6935728e521ae6844adca162131706c Pseudo is Ultrasoft + core correction, Zval = 3.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1059 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for N read from file: /users/gautes/Pseudo/N.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: e87e56825df8daeb07642eb4d268bcfd Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1085 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential H 1.00 1.00790 H( 1.00) B 3.00 10.81100 B( 1.00) N 5.00 14.00670 N( 1.00) 2 Sym. Ops. (no inversion) found ( 1 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 ) ( -0.6287793 ) double point group C_2 (2) there are 4 classes and 2 irreducible representations the character table: E -E C2 -C2 G_3 1.00 -1.00 0.00 0.00 G_4 1.00 -1.00 0.00 0.00 imaginary part E -E C2 -C2 G_3 0.00 0.00 1.00 -1.00 G_4 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 Cartesian axes number of k points= 428 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 2) = ( 0.0090755 0.0094413 -0.0000000), wk = 0.0023364 k( 3) = ( 0.0181510 0.0188827 -0.0000000), wk = 0.0023364 k( 4) = ( 0.0272266 0.0283240 -0.0000000), wk = 0.0023364 k( 5) = ( 0.0363021 0.0377653 -0.0000000), wk = 0.0023364 k( 6) = ( 0.0453776 0.0472066 -0.0000000), wk = 0.0023364 k( 7) = ( 0.0544531 0.0566480 -0.0000000), wk = 0.0023364 k( 8) = ( 0.0635286 0.0660893 -0.0000000), wk = 0.0023364 k( 9) = ( 0.0726042 0.0755306 -0.0000000), wk = 0.0023364 k( 10) = ( 0.0816797 0.0849720 -0.0000000), wk = 0.0023364 k( 11) = ( 0.0907552 0.0944133 -0.0000000), wk = 0.0023364 k( 12) = ( 0.0998307 0.1038546 -0.0000000), wk = 0.0023364 k( 13) = ( 0.1089062 0.1132960 -0.0000000), wk = 0.0023364 k( 14) = ( 0.1179817 0.1227373 -0.0000000), wk = 0.0023364 k( 15) = ( 0.1270573 0.1321786 -0.0000000), wk = 0.0023364 k( 16) = ( 0.1361328 0.1416199 -0.0000000), wk = 0.0023364 k( 17) = ( 0.1452083 0.1510613 -0.0000000), wk = 0.0023364 k( 18) = ( 0.1542838 0.1605026 -0.0000000), wk = 0.0023364 k( 19) = ( 0.1633593 0.1699439 -0.0000000), wk = 0.0023364 k( 20) = ( 0.1724349 0.1793852 -0.0000000), wk = 0.0023364 k( 21) = ( 0.1815104 0.1888266 -0.0000000), wk = 0.0023364 k( 22) = ( 0.1905859 0.1982679 -0.0000000), wk = 0.0023364 k( 23) = ( 0.1996614 0.2077092 -0.0000000), wk = 0.0023364 k( 24) = ( 0.2087369 0.2171506 -0.0000000), wk = 0.0023364 k( 25) = ( 0.2178124 0.2265919 -0.0000000), wk = 0.0023364 k( 26) = ( 0.2268880 0.2360332 -0.0000000), wk = 0.0023364 k( 27) = ( 0.2359635 0.2454745 -0.0000000), wk = 0.0023364 k( 28) = ( 0.2450390 0.2549159 -0.0000000), wk = 0.0023364 k( 29) = ( 0.2541145 0.2643572 -0.0000000), wk = 0.0023364 k( 30) = ( 0.2631901 0.2737985 -0.0000000), wk = 0.0023364 k( 31) = ( 0.2722656 0.2832399 -0.0000000), wk = 0.0023364 k( 32) = ( 0.2813411 0.2926812 -0.0000000), wk = 0.0023364 k( 33) = ( 0.2904166 0.3021225 -0.0000000), wk = 0.0023364 k( 34) = ( 0.2994921 0.3115638 -0.0000000), wk = 0.0023364 k( 35) = ( 0.3085676 0.3210052 -0.0000000), wk = 0.0023364 k( 36) = ( 0.3176432 0.3304465 -0.0000000), wk = 0.0023364 k( 37) = ( 0.3267187 0.3398878 -0.0000000), wk = 0.0023364 k( 38) = ( 0.3357942 0.3493292 -0.0000000), wk = 0.0023364 k( 39) = ( 0.3448697 0.3587705 -0.0000000), wk = 0.0023364 k( 40) = ( 0.3539452 0.3682118 -0.0000000), wk = 0.0023364 k( 41) = ( 0.3630208 0.3776532 -0.0000000), wk = 0.0023364 k( 42) = ( 0.3720963 0.3870945 -0.0000000), wk = 0.0023364 k( 43) = ( 0.3811718 0.3965358 -0.0000000), wk = 0.0023364 k( 44) = ( 0.3902473 0.4059771 -0.0000000), wk = 0.0023364 k( 45) = ( 0.3993228 0.4154185 -0.0000000), wk = 0.0023364 k( 46) = ( 0.4083984 0.4248598 -0.0000000), wk = 0.0023364 k( 47) = ( 0.4174739 0.4343011 -0.0000000), wk = 0.0023364 k( 48) = ( 0.4265494 0.4437425 -0.0000000), wk = 0.0023364 k( 49) = ( 0.4356249 0.4531838 -0.0000000), wk = 0.0023364 k( 50) = ( 0.4447004 0.4626251 -0.0000000), wk = 0.0023364 k( 51) = ( 0.4537759 0.4720665 -0.0000000), wk = 0.0023364 k( 52) = ( 0.4628515 0.4815078 -0.0000000), wk = 0.0023364 k( 53) = ( 0.4719270 0.4909491 -0.0000000), wk = 0.0023364 k( 54) = ( 0.4810025 0.5003904 -0.0000000), wk = 0.0023364 k( 55) = ( 0.4810025 0.5003904 -0.0000000), wk = 0.0023364 k( 56) = ( 0.4680024 0.5003904 -0.0000000), wk = 0.0023364 k( 57) = ( 0.4550024 0.5003904 -0.0000000), wk = 0.0023364 k( 58) = ( 0.4420023 0.5003904 -0.0000000), wk = 0.0023364 k( 59) = ( 0.4290022 0.5003904 -0.0000000), wk = 0.0023364 k( 60) = ( 0.4160022 0.5003904 -0.0000000), wk = 0.0023364 k( 61) = ( 0.4030021 0.5003904 -0.0000000), wk = 0.0023364 k( 62) = ( 0.3900020 0.5003904 -0.0000000), wk = 0.0023364 k( 63) = ( 0.3770020 0.5003904 -0.0000000), wk = 0.0023364 k( 64) = ( 0.3640019 0.5003904 -0.0000000), wk = 0.0023364 k( 65) = ( 0.3510018 0.5003904 -0.0000000), wk = 0.0023364 k( 66) = ( 0.3380018 0.5003904 -0.0000000), wk = 0.0023364 k( 67) = ( 0.3250017 0.5003904 -0.0000000), wk = 0.0023364 k( 68) = ( 0.3120016 0.5003904 -0.0000000), wk = 0.0023364 k( 69) = ( 0.2990016 0.5003904 -0.0000000), wk = 0.0023364 k( 70) = ( 0.2860015 0.5003904 -0.0000000), wk = 0.0023364 k( 71) = ( 0.2730014 0.5003904 -0.0000000), wk = 0.0023364 k( 72) = ( 0.2600014 0.5003904 -0.0000000), wk = 0.0023364 k( 73) = ( 0.2470013 0.5003904 -0.0000000), wk = 0.0023364 k( 74) = ( 0.2340012 0.5003904 -0.0000000), wk = 0.0023364 k( 75) = ( 0.2210012 0.5003904 -0.0000000), wk = 0.0023364 k( 76) = ( 0.2080011 0.5003904 -0.0000000), wk = 0.0023364 k( 77) = ( 0.1950010 0.5003904 -0.0000000), wk = 0.0023364 k( 78) = ( 0.1820009 0.5003904 -0.0000000), wk = 0.0023364 k( 79) = ( 0.1690009 0.5003904 -0.0000000), wk = 0.0023364 k( 80) = ( 0.1560008 0.5003904 -0.0000000), wk = 0.0023364 k( 81) = ( 0.1430007 0.5003904 -0.0000000), wk = 0.0023364 k( 82) = ( 0.1300007 0.5003904 -0.0000000), wk = 0.0023364 k( 83) = ( 0.1170006 0.5003904 -0.0000000), wk = 0.0023364 k( 84) = ( 0.1040005 0.5003904 -0.0000000), wk = 0.0023364 k( 85) = ( 0.0910005 0.5003904 -0.0000000), wk = 0.0023364 k( 86) = ( 0.0780004 0.5003904 -0.0000000), wk = 0.0023364 k( 87) = ( 0.0650003 0.5003904 -0.0000000), wk = 0.0023364 k( 88) = ( 0.0520003 0.5003904 -0.0000000), wk = 0.0023364 k( 89) = ( 0.0390002 0.5003904 -0.0000000), wk = 0.0023364 k( 90) = ( 0.0260001 0.5003904 -0.0000000), wk = 0.0023364 k( 91) = ( 0.0130001 0.5003904 -0.0000000), wk = 0.0023364 k( 92) = ( 0.0000000 0.5003904 -0.0000000), wk = 0.0023364 k( 93) = ( 0.0000000 0.5003904 -0.0000000), wk = 0.0023364 k( 94) = ( 0.0000000 0.5003904 0.0128257), wk = 0.0023364 k( 95) = ( 0.0000000 0.5003904 0.0256513), wk = 0.0023364 k( 96) = ( 0.0000000 0.5003904 0.0384770), wk = 0.0023364 k( 97) = ( 0.0000000 0.5003904 0.0513027), wk = 0.0023364 k( 98) = ( 0.0000000 0.5003904 0.0641284), wk = 0.0023364 k( 99) = ( 0.0000000 0.5003904 0.0769540), wk = 0.0023364 k( 100) = ( 0.0000000 0.5003904 0.0897797), wk = 0.0023364 k( 101) = ( 0.0000000 0.5003904 0.1026054), wk = 0.0023364 k( 102) = ( 0.0000000 0.5003904 0.1154310), wk = 0.0023364 k( 103) = ( 0.0000000 0.5003904 0.1282567), wk = 0.0023364 k( 104) = ( 0.0000000 0.5003904 0.1410824), wk = 0.0023364 k( 105) = ( 0.0000000 0.5003904 0.1539081), wk = 0.0023364 k( 106) = ( 0.0000000 0.5003904 0.1667337), wk = 0.0023364 k( 107) = ( 0.0000000 0.5003904 0.1795594), wk = 0.0023364 k( 108) = ( 0.0000000 0.5003904 0.1923851), wk = 0.0023364 k( 109) = ( 0.0000000 0.5003904 0.2052107), wk = 0.0023364 k( 110) = ( 0.0000000 0.5003904 0.2180364), wk = 0.0023364 k( 111) = ( 0.0000000 0.5003904 0.2308621), wk = 0.0023364 k( 112) = ( 0.0000000 0.5003904 0.2436878), wk = 0.0023364 k( 113) = ( 0.0000000 0.5003904 0.2565134), wk = 0.0023364 k( 114) = ( 0.0000000 0.5003904 0.2693391), wk = 0.0023364 k( 115) = ( 0.0000000 0.5003904 0.2821648), wk = 0.0023364 k( 116) = ( 0.0000000 0.5003904 0.2949904), wk = 0.0023364 k( 117) = ( 0.0000000 0.5003904 0.3078161), wk = 0.0023364 k( 118) = ( 0.0000000 0.5003904 0.3206418), wk = 0.0023364 k( 119) = ( 0.0000000 0.5003904 0.3334675), wk = 0.0023364 k( 120) = ( 0.0000000 0.5003904 0.3462931), wk = 0.0023364 k( 121) = ( 0.0000000 0.5003904 0.3591188), wk = 0.0023364 k( 122) = ( 0.0000000 0.5003904 0.3719445), wk = 0.0023364 k( 123) = ( 0.0000000 0.5003904 0.3847701), wk = 0.0023364 k( 124) = ( 0.0000000 0.5003904 0.3975958), wk = 0.0023364 k( 125) = ( 0.0000000 0.5003904 0.3975958), wk = 0.0023364 k( 126) = ( 0.0130001 0.5003904 0.3975958), wk = 0.0023364 k( 127) = ( 0.0260001 0.5003904 0.3975958), wk = 0.0023364 k( 128) = ( 0.0390002 0.5003904 0.3975958), wk = 0.0023364 k( 129) = ( 0.0520003 0.5003904 0.3975958), wk = 0.0023364 k( 130) = ( 0.0650003 0.5003904 0.3975958), wk = 0.0023364 k( 131) = ( 0.0780004 0.5003904 0.3975958), wk = 0.0023364 k( 132) = ( 0.0910005 0.5003904 0.3975958), wk = 0.0023364 k( 133) = ( 0.1040005 0.5003904 0.3975958), wk = 0.0023364 k( 134) = ( 0.1170006 0.5003904 0.3975958), wk = 0.0023364 k( 135) = ( 0.1300007 0.5003904 0.3975958), wk = 0.0023364 k( 136) = ( 0.1430007 0.5003904 0.3975958), wk = 0.0023364 k( 137) = ( 0.1560008 0.5003904 0.3975958), wk = 0.0023364 k( 138) = ( 0.1690009 0.5003904 0.3975958), wk = 0.0023364 k( 139) = ( 0.1820009 0.5003904 0.3975958), wk = 0.0023364 k( 140) = ( 0.1950010 0.5003904 0.3975958), wk = 0.0023364 k( 141) = ( 0.2080011 0.5003904 0.3975958), wk = 0.0023364 k( 142) = ( 0.2210012 0.5003904 0.3975958), wk = 0.0023364 k( 143) = ( 0.2340012 0.5003904 0.3975958), wk = 0.0023364 k( 144) = ( 0.2470013 0.5003904 0.3975958), wk = 0.0023364 k( 145) = ( 0.2600014 0.5003904 0.3975958), wk = 0.0023364 k( 146) = ( 0.2730014 0.5003904 0.3975958), wk = 0.0023364 k( 147) = ( 0.2860015 0.5003904 0.3975958), wk = 0.0023364 k( 148) = ( 0.2990016 0.5003904 0.3975958), wk = 0.0023364 k( 149) = ( 0.3120016 0.5003904 0.3975958), wk = 0.0023364 k( 150) = ( 0.3250017 0.5003904 0.3975958), wk = 0.0023364 k( 151) = ( 0.3380018 0.5003904 0.3975958), wk = 0.0023364 k( 152) = ( 0.3510018 0.5003904 0.3975958), wk = 0.0023364 k( 153) = ( 0.3640019 0.5003904 0.3975958), wk = 0.0023364 k( 154) = ( 0.3770020 0.5003904 0.3975958), wk = 0.0023364 k( 155) = ( 0.3900020 0.5003904 0.3975958), wk = 0.0023364 k( 156) = ( 0.4030021 0.5003904 0.3975958), wk = 0.0023364 k( 157) = ( 0.4160022 0.5003904 0.3975958), wk = 0.0023364 k( 158) = ( 0.4290022 0.5003904 0.3975958), wk = 0.0023364 k( 159) = ( 0.4420023 0.5003904 0.3975958), wk = 0.0023364 k( 160) = ( 0.4550024 0.5003904 0.3975958), wk = 0.0023364 k( 161) = ( 0.4680024 0.5003904 0.3975958), wk = 0.0023364 k( 162) = ( 0.4810025 0.5003904 0.3975958), wk = 0.0023364 k( 163) = ( 0.4810025 0.5003904 0.3975958), wk = 0.0023364 k( 164) = ( 0.4719270 0.4909491 0.3975958), wk = 0.0023364 k( 165) = ( 0.4628515 0.4815078 0.3975958), wk = 0.0023364 k( 166) = ( 0.4537759 0.4720665 0.3975958), wk = 0.0023364 k( 167) = ( 0.4447004 0.4626251 0.3975958), wk = 0.0023364 k( 168) = ( 0.4356249 0.4531838 0.3975958), wk = 0.0023364 k( 169) = ( 0.4265494 0.4437425 0.3975958), wk = 0.0023364 k( 170) = ( 0.4174739 0.4343011 0.3975958), wk = 0.0023364 k( 171) = ( 0.4083984 0.4248598 0.3975958), wk = 0.0023364 k( 172) = ( 0.3993228 0.4154185 0.3975958), wk = 0.0023364 k( 173) = ( 0.3902473 0.4059771 0.3975958), wk = 0.0023364 k( 174) = ( 0.3811718 0.3965358 0.3975958), wk = 0.0023364 k( 175) = ( 0.3720963 0.3870945 0.3975958), wk = 0.0023364 k( 176) = ( 0.3630208 0.3776532 0.3975958), wk = 0.0023364 k( 177) = ( 0.3539452 0.3682118 0.3975958), wk = 0.0023364 k( 178) = ( 0.3448697 0.3587705 0.3975958), wk = 0.0023364 k( 179) = ( 0.3357942 0.3493292 0.3975958), wk = 0.0023364 k( 180) = ( 0.3267187 0.3398878 0.3975958), wk = 0.0023364 k( 181) = ( 0.3176432 0.3304465 0.3975958), wk = 0.0023364 k( 182) = ( 0.3085676 0.3210052 0.3975958), wk = 0.0023364 k( 183) = ( 0.2994921 0.3115638 0.3975958), wk = 0.0023364 k( 184) = ( 0.2904166 0.3021225 0.3975958), wk = 0.0023364 k( 185) = ( 0.2813411 0.2926812 0.3975958), wk = 0.0023364 k( 186) = ( 0.2722656 0.2832399 0.3975958), wk = 0.0023364 k( 187) = ( 0.2631901 0.2737985 0.3975958), wk = 0.0023364 k( 188) = ( 0.2541145 0.2643572 0.3975958), wk = 0.0023364 k( 189) = ( 0.2450390 0.2549159 0.3975958), wk = 0.0023364 k( 190) = ( 0.2359635 0.2454745 0.3975958), wk = 0.0023364 k( 191) = ( 0.2268880 0.2360332 0.3975958), wk = 0.0023364 k( 192) = ( 0.2178124 0.2265919 0.3975958), wk = 0.0023364 k( 193) = ( 0.2087369 0.2171506 0.3975958), wk = 0.0023364 k( 194) = ( 0.1996614 0.2077092 0.3975958), wk = 0.0023364 k( 195) = ( 0.1905859 0.1982679 0.3975958), wk = 0.0023364 k( 196) = ( 0.1815104 0.1888266 0.3975958), wk = 0.0023364 k( 197) = ( 0.1724349 0.1793852 0.3975958), wk = 0.0023364 k( 198) = ( 0.1633593 0.1699439 0.3975958), wk = 0.0023364 k( 199) = ( 0.1542838 0.1605026 0.3975958), wk = 0.0023364 k( 200) = ( 0.1452083 0.1510613 0.3975958), wk = 0.0023364 k( 201) = ( 0.1361328 0.1416199 0.3975958), wk = 0.0023364 k( 202) = ( 0.1270573 0.1321786 0.3975958), wk = 0.0023364 k( 203) = ( 0.1179817 0.1227373 0.3975958), wk = 0.0023364 k( 204) = ( 0.1089062 0.1132960 0.3975958), wk = 0.0023364 k( 205) = ( 0.0998307 0.1038546 0.3975958), wk = 0.0023364 k( 206) = ( 0.0907552 0.0944133 0.3975958), wk = 0.0023364 k( 207) = ( 0.0816797 0.0849720 0.3975958), wk = 0.0023364 k( 208) = ( 0.0726042 0.0755306 0.3975958), wk = 0.0023364 k( 209) = ( 0.0635286 0.0660893 0.3975958), wk = 0.0023364 k( 210) = ( 0.0544531 0.0566480 0.3975958), wk = 0.0023364 k( 211) = ( 0.0453776 0.0472066 0.3975958), wk = 0.0023364 k( 212) = ( 0.0363021 0.0377653 0.3975958), wk = 0.0023364 k( 213) = ( 0.0272266 0.0283240 0.3975958), wk = 0.0023364 k( 214) = ( 0.0181510 0.0188827 0.3975958), wk = 0.0023364 k( 215) = ( 0.0090755 0.0094413 0.3975958), wk = 0.0023364 k( 216) = ( 0.0000000 0.0000000 0.3975958), wk = 0.0023364 k( 217) = ( 0.0000000 0.0000000 0.3975958), wk = 0.0023364 k( 218) = ( 0.0000000 0.0000000 0.3847701), wk = 0.0023364 k( 219) = ( 0.0000000 0.0000000 0.3719445), wk = 0.0023364 k( 220) = ( 0.0000000 0.0000000 0.3591188), wk = 0.0023364 k( 221) = ( 0.0000000 0.0000000 0.3462931), wk = 0.0023364 k( 222) = ( 0.0000000 0.0000000 0.3334675), wk = 0.0023364 k( 223) = ( 0.0000000 0.0000000 0.3206418), wk = 0.0023364 k( 224) = ( 0.0000000 0.0000000 0.3078161), wk = 0.0023364 k( 225) = ( 0.0000000 0.0000000 0.2949904), wk = 0.0023364 k( 226) = ( 0.0000000 0.0000000 0.2821648), wk = 0.0023364 k( 227) = ( 0.0000000 0.0000000 0.2693391), wk = 0.0023364 k( 228) = ( 0.0000000 0.0000000 0.2565134), wk = 0.0023364 k( 229) = ( 0.0000000 0.0000000 0.2436878), wk = 0.0023364 k( 230) = ( 0.0000000 0.0000000 0.2308621), wk = 0.0023364 k( 231) = ( 0.0000000 0.0000000 0.2180364), wk = 0.0023364 k( 232) = ( 0.0000000 0.0000000 0.2052107), wk = 0.0023364 k( 233) = ( 0.0000000 0.0000000 0.1923851), wk = 0.0023364 k( 234) = ( 0.0000000 0.0000000 0.1795594), wk = 0.0023364 k( 235) = ( 0.0000000 0.0000000 0.1667337), wk = 0.0023364 k( 236) = ( 0.0000000 0.0000000 0.1539081), wk = 0.0023364 k( 237) = ( 0.0000000 0.0000000 0.1410824), wk = 0.0023364 k( 238) = ( 0.0000000 0.0000000 0.1282567), wk = 0.0023364 k( 239) = ( 0.0000000 0.0000000 0.1154310), wk = 0.0023364 k( 240) = ( 0.0000000 0.0000000 0.1026054), wk = 0.0023364 k( 241) = ( 0.0000000 0.0000000 0.0897797), wk = 0.0023364 k( 242) = ( 0.0000000 0.0000000 0.0769540), wk = 0.0023364 k( 243) = ( 0.0000000 0.0000000 0.0641284), wk = 0.0023364 k( 244) = ( 0.0000000 0.0000000 0.0513027), wk = 0.0023364 k( 245) = ( 0.0000000 0.0000000 0.0384770), wk = 0.0023364 k( 246) = ( 0.0000000 0.0000000 0.0256513), wk = 0.0023364 k( 247) = ( 0.0000000 0.0000000 0.0128257), wk = 0.0023364 k( 248) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 249) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 250) = ( -0.0094340 0.0090684 0.0000000), wk = 0.0023364 k( 251) = ( -0.0188679 0.0181369 0.0000000), wk = 0.0023364 k( 252) = ( -0.0283019 0.0272053 0.0000000), wk = 0.0023364 k( 253) = ( -0.0377359 0.0362738 0.0000000), wk = 0.0023364 k( 254) = ( -0.0471698 0.0453422 0.0000000), wk = 0.0023364 k( 255) = ( -0.0566038 0.0544106 0.0000000), wk = 0.0023364 k( 256) = ( -0.0660377 0.0634791 0.0000000), wk = 0.0023364 k( 257) = ( -0.0754717 0.0725475 0.0000000), wk = 0.0023364 k( 258) = ( -0.0849057 0.0816159 0.0000000), wk = 0.0023364 k( 259) = ( -0.0943396 0.0906844 0.0000000), wk = 0.0023364 k( 260) = ( -0.1037736 0.0997528 0.0000000), wk = 0.0023364 k( 261) = ( -0.1132076 0.1088213 0.0000000), wk = 0.0023364 k( 262) = ( -0.1226415 0.1178897 0.0000000), wk = 0.0023364 k( 263) = ( -0.1320755 0.1269581 0.0000000), wk = 0.0023364 k( 264) = ( -0.1415094 0.1360266 0.0000000), wk = 0.0023364 k( 265) = ( -0.1509434 0.1450950 0.0000000), wk = 0.0023364 k( 266) = ( -0.1603774 0.1541634 0.0000000), wk = 0.0023364 k( 267) = ( -0.1698113 0.1632319 0.0000000), wk = 0.0023364 k( 268) = ( -0.1792453 0.1723003 0.0000000), wk = 0.0023364 k( 269) = ( -0.1886792 0.1813688 0.0000000), wk = 0.0023364 k( 270) = ( -0.1981132 0.1904372 0.0000000), wk = 0.0023364 k( 271) = ( -0.2075472 0.1995056 0.0000000), wk = 0.0023364 k( 272) = ( -0.2169811 0.2085741 0.0000000), wk = 0.0023364 k( 273) = ( -0.2264151 0.2176425 0.0000000), wk = 0.0023364 k( 274) = ( -0.2358491 0.2267109 0.0000000), wk = 0.0023364 k( 275) = ( -0.2452830 0.2357794 0.0000000), wk = 0.0023364 k( 276) = ( -0.2547170 0.2448478 0.0000000), wk = 0.0023364 k( 277) = ( -0.2641509 0.2539163 0.0000000), wk = 0.0023364 k( 278) = ( -0.2735849 0.2629847 0.0000000), wk = 0.0023364 k( 279) = ( -0.2830189 0.2720531 0.0000000), wk = 0.0023364 k( 280) = ( -0.2924528 0.2811216 0.0000000), wk = 0.0023364 k( 281) = ( -0.3018868 0.2901900 0.0000000), wk = 0.0023364 k( 282) = ( -0.3113207 0.2992584 0.0000000), wk = 0.0023364 k( 283) = ( -0.3207547 0.3083269 0.0000000), wk = 0.0023364 k( 284) = ( -0.3301887 0.3173953 0.0000000), wk = 0.0023364 k( 285) = ( -0.3396226 0.3264638 0.0000000), wk = 0.0023364 k( 286) = ( -0.3490566 0.3355322 0.0000000), wk = 0.0023364 k( 287) = ( -0.3584906 0.3446006 0.0000000), wk = 0.0023364 k( 288) = ( -0.3679245 0.3536691 0.0000000), wk = 0.0023364 k( 289) = ( -0.3773585 0.3627375 0.0000000), wk = 0.0023364 k( 290) = ( -0.3867925 0.3718059 0.0000000), wk = 0.0023364 k( 291) = ( -0.3962264 0.3808744 0.0000000), wk = 0.0023364 k( 292) = ( -0.4056604 0.3899428 0.0000000), wk = 0.0023364 k( 293) = ( -0.4150943 0.3990113 0.0000000), wk = 0.0023364 k( 294) = ( -0.4245283 0.4080797 0.0000000), wk = 0.0023364 k( 295) = ( -0.4339623 0.4171481 0.0000000), wk = 0.0023364 k( 296) = ( -0.4433962 0.4262166 0.0000000), wk = 0.0023364 k( 297) = ( -0.4528302 0.4352850 0.0000000), wk = 0.0023364 k( 298) = ( -0.4622641 0.4443534 0.0000000), wk = 0.0023364 k( 299) = ( -0.4716981 0.4534219 0.0000000), wk = 0.0023364 k( 300) = ( -0.4811321 0.4624903 0.0000000), wk = 0.0023364 k( 301) = ( -0.4905660 0.4715588 0.0000000), wk = 0.0023364 k( 302) = ( -0.5000000 0.4806272 0.0000000), wk = 0.0023364 k( 303) = ( -0.5000000 0.4806272 0.0000000), wk = 0.0023364 k( 304) = ( -0.4936675 0.4872149 -0.0000000), wk = 0.0023364 k( 305) = ( -0.4873350 0.4938027 -0.0000000), wk = 0.0023364 k( 306) = ( -0.4810025 0.5003904 -0.0000000), wk = 0.0023364 k( 307) = ( -0.4810025 0.5003904 -0.0000000), wk = 0.0023364 k( 308) = ( -0.4810025 0.5003904 0.0128257), wk = 0.0023364 k( 309) = ( -0.4810025 0.5003904 0.0256513), wk = 0.0023364 k( 310) = ( -0.4810025 0.5003904 0.0384770), wk = 0.0023364 k( 311) = ( -0.4810025 0.5003904 0.0513027), wk = 0.0023364 k( 312) = ( -0.4810025 0.5003904 0.0641284), wk = 0.0023364 k( 313) = ( -0.4810025 0.5003904 0.0769540), wk = 0.0023364 k( 314) = ( -0.4810025 0.5003904 0.0897797), wk = 0.0023364 k( 315) = ( -0.4810025 0.5003904 0.1026054), wk = 0.0023364 k( 316) = ( -0.4810025 0.5003904 0.1154310), wk = 0.0023364 k( 317) = ( -0.4810025 0.5003904 0.1282567), wk = 0.0023364 k( 318) = ( -0.4810025 0.5003904 0.1410824), wk = 0.0023364 k( 319) = ( -0.4810025 0.5003904 0.1539081), wk = 0.0023364 k( 320) = ( -0.4810025 0.5003904 0.1667337), wk = 0.0023364 k( 321) = ( -0.4810025 0.5003904 0.1795594), wk = 0.0023364 k( 322) = ( -0.4810025 0.5003904 0.1923851), wk = 0.0023364 k( 323) = ( -0.4810025 0.5003904 0.2052107), wk = 0.0023364 k( 324) = ( -0.4810025 0.5003904 0.2180364), wk = 0.0023364 k( 325) = ( -0.4810025 0.5003904 0.2308621), wk = 0.0023364 k( 326) = ( -0.4810025 0.5003904 0.2436878), wk = 0.0023364 k( 327) = ( -0.4810025 0.5003904 0.2565134), wk = 0.0023364 k( 328) = ( -0.4810025 0.5003904 0.2693391), wk = 0.0023364 k( 329) = ( -0.4810025 0.5003904 0.2821648), wk = 0.0023364 k( 330) = ( -0.4810025 0.5003904 0.2949904), wk = 0.0023364 k( 331) = ( -0.4810025 0.5003904 0.3078161), wk = 0.0023364 k( 332) = ( -0.4810025 0.5003904 0.3206418), wk = 0.0023364 k( 333) = ( -0.4810025 0.5003904 0.3334675), wk = 0.0023364 k( 334) = ( -0.4810025 0.5003904 0.3462931), wk = 0.0023364 k( 335) = ( -0.4810025 0.5003904 0.3591188), wk = 0.0023364 k( 336) = ( -0.4810025 0.5003904 0.3719445), wk = 0.0023364 k( 337) = ( -0.4810025 0.5003904 0.3847701), wk = 0.0023364 k( 338) = ( -0.4810025 0.5003904 0.3975958), wk = 0.0023364 k( 339) = ( -0.4810025 0.5003904 0.3975958), wk = 0.0023364 k( 340) = ( -0.4873350 0.4938027 0.3975958), wk = 0.0023364 k( 341) = ( -0.4936675 0.4872149 0.3975958), wk = 0.0023364 k( 342) = ( -0.5000000 0.4806272 0.3975958), wk = 0.0023364 k( 343) = ( -0.5000000 0.4806272 0.3975958), wk = 0.0023364 k( 344) = ( -0.5000000 0.4806272 0.3847701), wk = 0.0023364 k( 345) = ( -0.5000000 0.4806272 0.3719445), wk = 0.0023364 k( 346) = ( -0.5000000 0.4806272 0.3591188), wk = 0.0023364 k( 347) = ( -0.5000000 0.4806272 0.3462931), wk = 0.0023364 k( 348) = ( -0.5000000 0.4806272 0.3334675), wk = 0.0023364 k( 349) = ( -0.5000000 0.4806272 0.3206418), wk = 0.0023364 k( 350) = ( -0.5000000 0.4806272 0.3078161), wk = 0.0023364 k( 351) = ( -0.5000000 0.4806272 0.2949904), wk = 0.0023364 k( 352) = ( -0.5000000 0.4806272 0.2821648), wk = 0.0023364 k( 353) = ( -0.5000000 0.4806272 0.2693391), wk = 0.0023364 k( 354) = ( -0.5000000 0.4806272 0.2565134), wk = 0.0023364 k( 355) = ( -0.5000000 0.4806272 0.2436878), wk = 0.0023364 k( 356) = ( -0.5000000 0.4806272 0.2308621), wk = 0.0023364 k( 357) = ( -0.5000000 0.4806272 0.2180364), wk = 0.0023364 k( 358) = ( -0.5000000 0.4806272 0.2052107), wk = 0.0023364 k( 359) = ( -0.5000000 0.4806272 0.1923851), wk = 0.0023364 k( 360) = ( -0.5000000 0.4806272 0.1795594), wk = 0.0023364 k( 361) = ( -0.5000000 0.4806272 0.1667337), wk = 0.0023364 k( 362) = ( -0.5000000 0.4806272 0.1539081), wk = 0.0023364 k( 363) = ( -0.5000000 0.4806272 0.1410824), wk = 0.0023364 k( 364) = ( -0.5000000 0.4806272 0.1282567), wk = 0.0023364 k( 365) = ( -0.5000000 0.4806272 0.1154310), wk = 0.0023364 k( 366) = ( -0.5000000 0.4806272 0.1026054), wk = 0.0023364 k( 367) = ( -0.5000000 0.4806272 0.0897797), wk = 0.0023364 k( 368) = ( -0.5000000 0.4806272 0.0769540), wk = 0.0023364 k( 369) = ( -0.5000000 0.4806272 0.0641284), wk = 0.0023364 k( 370) = ( -0.5000000 0.4806272 0.0513027), wk = 0.0023364 k( 371) = ( -0.5000000 0.4806272 0.0384770), wk = 0.0023364 k( 372) = ( -0.5000000 0.4806272 0.0256513), wk = 0.0023364 k( 373) = ( -0.5000000 0.4806272 0.0128257), wk = 0.0023364 k( 374) = ( -0.5000000 0.4806272 0.0000000), wk = 0.0023364 k( 375) = ( 0.0000000 0.0000000 0.3975958), wk = 0.0023364 k( 376) = ( -0.0094340 0.0090684 0.3975958), wk = 0.0023364 k( 377) = ( -0.0188679 0.0181369 0.3975958), wk = 0.0023364 k( 378) = ( -0.0283019 0.0272053 0.3975958), wk = 0.0023364 k( 379) = ( -0.0377359 0.0362738 0.3975958), wk = 0.0023364 k( 380) = ( -0.0471698 0.0453422 0.3975958), wk = 0.0023364 k( 381) = ( -0.0566038 0.0544106 0.3975958), wk = 0.0023364 k( 382) = ( -0.0660377 0.0634791 0.3975958), wk = 0.0023364 k( 383) = ( -0.0754717 0.0725475 0.3975958), wk = 0.0023364 k( 384) = ( -0.0849057 0.0816159 0.3975958), wk = 0.0023364 k( 385) = ( -0.0943396 0.0906844 0.3975958), wk = 0.0023364 k( 386) = ( -0.1037736 0.0997528 0.3975958), wk = 0.0023364 k( 387) = ( -0.1132076 0.1088213 0.3975958), wk = 0.0023364 k( 388) = ( -0.1226415 0.1178897 0.3975958), wk = 0.0023364 k( 389) = ( -0.1320755 0.1269581 0.3975958), wk = 0.0023364 k( 390) = ( -0.1415094 0.1360266 0.3975958), wk = 0.0023364 k( 391) = ( -0.1509434 0.1450950 0.3975958), wk = 0.0023364 k( 392) = ( -0.1603774 0.1541634 0.3975958), wk = 0.0023364 k( 393) = ( -0.1698113 0.1632319 0.3975958), wk = 0.0023364 k( 394) = ( -0.1792453 0.1723003 0.3975958), wk = 0.0023364 k( 395) = ( -0.1886792 0.1813688 0.3975958), wk = 0.0023364 k( 396) = ( -0.1981132 0.1904372 0.3975958), wk = 0.0023364 k( 397) = ( -0.2075472 0.1995056 0.3975958), wk = 0.0023364 k( 398) = ( -0.2169811 0.2085741 0.3975958), wk = 0.0023364 k( 399) = ( -0.2264151 0.2176425 0.3975958), wk = 0.0023364 k( 400) = ( -0.2358491 0.2267109 0.3975958), wk = 0.0023364 k( 401) = ( -0.2452830 0.2357794 0.3975958), wk = 0.0023364 k( 402) = ( -0.2547170 0.2448478 0.3975958), wk = 0.0023364 k( 403) = ( -0.2641509 0.2539163 0.3975958), wk = 0.0023364 k( 404) = ( -0.2735849 0.2629847 0.3975958), wk = 0.0023364 k( 405) = ( -0.2830189 0.2720531 0.3975958), wk = 0.0023364 k( 406) = ( -0.2924528 0.2811216 0.3975958), wk = 0.0023364 k( 407) = ( -0.3018868 0.2901900 0.3975958), wk = 0.0023364 k( 408) = ( -0.3113207 0.2992584 0.3975958), wk = 0.0023364 k( 409) = ( -0.3207547 0.3083269 0.3975958), wk = 0.0023364 k( 410) = ( -0.3301887 0.3173953 0.3975958), wk = 0.0023364 k( 411) = ( -0.3396226 0.3264638 0.3975958), wk = 0.0023364 k( 412) = ( -0.3490566 0.3355322 0.3975958), wk = 0.0023364 k( 413) = ( -0.3584906 0.3446006 0.3975958), wk = 0.0023364 k( 414) = ( -0.3679245 0.3536691 0.3975958), wk = 0.0023364 k( 415) = ( -0.3773585 0.3627375 0.3975958), wk = 0.0023364 k( 416) = ( -0.3867925 0.3718059 0.3975958), wk = 0.0023364 k( 417) = ( -0.3962264 0.3808744 0.3975958), wk = 0.0023364 k( 418) = ( -0.4056604 0.3899428 0.3975958), wk = 0.0023364 k( 419) = ( -0.4150943 0.3990113 0.3975958), wk = 0.0023364 k( 420) = ( -0.4245283 0.4080797 0.3975958), wk = 0.0023364 k( 421) = ( -0.4339623 0.4171481 0.3975958), wk = 0.0023364 k( 422) = ( -0.4433962 0.4262166 0.3975958), wk = 0.0023364 k( 423) = ( -0.4528302 0.4352850 0.3975958), wk = 0.0023364 k( 424) = ( -0.4622641 0.4443534 0.3975958), wk = 0.0023364 k( 425) = ( -0.4716981 0.4534219 0.3975958), wk = 0.0023364 k( 426) = ( -0.4811321 0.4624903 0.3975958), wk = 0.0023364 k( 427) = ( -0.4905660 0.4715588 0.3975958), wk = 0.0023364 k( 428) = ( -0.5000000 0.4806272 0.3975958), wk = 0.0023364 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 2) = ( 0.0090755 0.0090755 -0.0000000), wk = 0.0023364 k( 3) = ( 0.0181510 0.0181510 -0.0000000), wk = 0.0023364 k( 4) = ( 0.0272266 0.0272266 0.0000000), wk = 0.0023364 k( 5) = ( 0.0363021 0.0363021 -0.0000000), wk = 0.0023364 k( 6) = ( 0.0453776 0.0453776 0.0000000), wk = 0.0023364 k( 7) = ( 0.0544531 0.0544531 0.0000000), wk = 0.0023364 k( 8) = ( 0.0635286 0.0635286 -0.0000000), wk = 0.0023364 k( 9) = ( 0.0726042 0.0726042 0.0000000), wk = 0.0023364 k( 10) = ( 0.0816797 0.0816797 -0.0000000), wk = 0.0023364 k( 11) = ( 0.0907552 0.0907552 -0.0000000), wk = 0.0023364 k( 12) = ( 0.0998307 0.0998307 -0.0000000), wk = 0.0023364 k( 13) = ( 0.1089062 0.1089062 -0.0000000), wk = 0.0023364 k( 14) = ( 0.1179817 0.1179818 -0.0000000), wk = 0.0023364 k( 15) = ( 0.1270573 0.1270573 -0.0000000), wk = 0.0023364 k( 16) = ( 0.1361328 0.1361328 0.0000000), wk = 0.0023364 k( 17) = ( 0.1452083 0.1452083 0.0000000), wk = 0.0023364 k( 18) = ( 0.1542838 0.1542838 -0.0000000), wk = 0.0023364 k( 19) = ( 0.1633593 0.1633593 -0.0000000), wk = 0.0023364 k( 20) = ( 0.1724349 0.1724349 -0.0000000), wk = 0.0023364 k( 21) = ( 0.1815104 0.1815104 -0.0000000), wk = 0.0023364 k( 22) = ( 0.1905859 0.1905859 0.0000000), wk = 0.0023364 k( 23) = ( 0.1996614 0.1996614 -0.0000000), wk = 0.0023364 k( 24) = ( 0.2087369 0.2087369 -0.0000000), wk = 0.0023364 k( 25) = ( 0.2178124 0.2178125 -0.0000000), wk = 0.0023364 k( 26) = ( 0.2268880 0.2268880 -0.0000000), wk = 0.0023364 k( 27) = ( 0.2359635 0.2359635 0.0000000), wk = 0.0023364 k( 28) = ( 0.2450390 0.2450390 0.0000000), wk = 0.0023364 k( 29) = ( 0.2541145 0.2541145 -0.0000000), wk = 0.0023364 k( 30) = ( 0.2631901 0.2631901 -0.0000000), wk = 0.0023364 k( 31) = ( 0.2722656 0.2722656 0.0000000), wk = 0.0023364 k( 32) = ( 0.2813411 0.2813411 -0.0000000), wk = 0.0023364 k( 33) = ( 0.2904166 0.2904166 0.0000000), wk = 0.0023364 k( 34) = ( 0.2994921 0.2994921 0.0000000), wk = 0.0023364 k( 35) = ( 0.3085676 0.3085676 -0.0000000), wk = 0.0023364 k( 36) = ( 0.3176432 0.3176432 -0.0000000), wk = 0.0023364 k( 37) = ( 0.3267187 0.3267187 -0.0000000), wk = 0.0023364 k( 38) = ( 0.3357942 0.3357942 0.0000000), wk = 0.0023364 k( 39) = ( 0.3448697 0.3448697 -0.0000000), wk = 0.0023364 k( 40) = ( 0.3539452 0.3539452 -0.0000000), wk = 0.0023364 k( 41) = ( 0.3630208 0.3630208 -0.0000000), wk = 0.0023364 k( 42) = ( 0.3720963 0.3720963 -0.0000000), wk = 0.0023364 k( 43) = ( 0.3811718 0.3811718 0.0000000), wk = 0.0023364 k( 44) = ( 0.3902473 0.3902473 -0.0000000), wk = 0.0023364 k( 45) = ( 0.3993228 0.3993228 -0.0000000), wk = 0.0023364 k( 46) = ( 0.4083984 0.4083984 -0.0000000), wk = 0.0023364 k( 47) = ( 0.4174739 0.4174739 -0.0000000), wk = 0.0023364 k( 48) = ( 0.4265494 0.4265494 -0.0000000), wk = 0.0023364 k( 49) = ( 0.4356249 0.4356249 0.0000000), wk = 0.0023364 k( 50) = ( 0.4447004 0.4447004 -0.0000000), wk = 0.0023364 k( 51) = ( 0.4537759 0.4537760 -0.0000000), wk = 0.0023364 k( 52) = ( 0.4628515 0.4628515 -0.0000000), wk = 0.0023364 k( 53) = ( 0.4719270 0.4719270 0.0000000), wk = 0.0023364 k( 54) = ( 0.4810025 0.4810025 -0.0000000), wk = 0.0023364 k( 55) = ( 0.4810025 0.4810025 -0.0000000), wk = 0.0023364 k( 56) = ( 0.4680024 0.4815160 0.0000000), wk = 0.0023364 k( 57) = ( 0.4550024 0.4820294 -0.0000000), wk = 0.0023364 k( 58) = ( 0.4420023 0.4825428 -0.0000000), wk = 0.0023364 k( 59) = ( 0.4290022 0.4830563 0.0000000), wk = 0.0023364 k( 60) = ( 0.4160022 0.4835697 0.0000000), wk = 0.0023364 k( 61) = ( 0.4030021 0.4840832 0.0000000), wk = 0.0023364 k( 62) = ( 0.3900020 0.4845966 0.0000000), wk = 0.0023364 k( 63) = ( 0.3770020 0.4851101 -0.0000000), wk = 0.0023364 k( 64) = ( 0.3640019 0.4856235 -0.0000000), wk = 0.0023364 k( 65) = ( 0.3510018 0.4861370 -0.0000000), wk = 0.0023364 k( 66) = ( 0.3380018 0.4866504 0.0000000), wk = 0.0023364 k( 67) = ( 0.3250017 0.4871639 -0.0000000), wk = 0.0023364 k( 68) = ( 0.3120016 0.4876773 0.0000000), wk = 0.0023364 k( 69) = ( 0.2990016 0.4881908 0.0000000), wk = 0.0023364 k( 70) = ( 0.2860015 0.4887042 0.0000000), wk = 0.0023364 k( 71) = ( 0.2730014 0.4892176 -0.0000000), wk = 0.0023364 k( 72) = ( 0.2600014 0.4897311 -0.0000000), wk = 0.0023364 k( 73) = ( 0.2470013 0.4902445 -0.0000000), wk = 0.0023364 k( 74) = ( 0.2340012 0.4907580 0.0000000), wk = 0.0023364 k( 75) = ( 0.2210012 0.4912714 0.0000000), wk = 0.0023364 k( 76) = ( 0.2080011 0.4917849 0.0000000), wk = 0.0023364 k( 77) = ( 0.1950010 0.4922983 -0.0000000), wk = 0.0023364 k( 78) = ( 0.1820009 0.4928118 0.0000000), wk = 0.0023364 k( 79) = ( 0.1690009 0.4933252 0.0000000), wk = 0.0023364 k( 80) = ( 0.1560008 0.4938387 0.0000000), wk = 0.0023364 k( 81) = ( 0.1430007 0.4943521 0.0000000), wk = 0.0023364 k( 82) = ( 0.1300007 0.4948655 0.0000000), wk = 0.0023364 k( 83) = ( 0.1170006 0.4953790 0.0000000), wk = 0.0023364 k( 84) = ( 0.1040005 0.4958924 0.0000000), wk = 0.0023364 k( 85) = ( 0.0910005 0.4964059 -0.0000000), wk = 0.0023364 k( 86) = ( 0.0780004 0.4969193 0.0000000), wk = 0.0023364 k( 87) = ( 0.0650003 0.4974328 0.0000000), wk = 0.0023364 k( 88) = ( 0.0520003 0.4979462 0.0000000), wk = 0.0023364 k( 89) = ( 0.0390002 0.4984597 0.0000000), wk = 0.0023364 k( 90) = ( 0.0260001 0.4989731 -0.0000000), wk = 0.0023364 k( 91) = ( 0.0130001 0.4994865 0.0000000), wk = 0.0023364 k( 92) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023364 k( 93) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0023364 k( 94) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0023364 k( 95) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0023364 k( 96) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0023364 k( 97) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0023364 k( 98) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0023364 k( 99) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0023364 k( 100) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0023364 k( 101) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0023364 k( 102) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0023364 k( 103) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0023364 k( 104) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0023364 k( 105) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0023364 k( 106) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0023364 k( 107) = ( 0.0000000 0.5000000 0.2258065), wk = 0.0023364 k( 108) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0023364 k( 109) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0023364 k( 110) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0023364 k( 111) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0023364 k( 112) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0023364 k( 113) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0023364 k( 114) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0023364 k( 115) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0023364 k( 116) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0023364 k( 117) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0023364 k( 118) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0023364 k( 119) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0023364 k( 120) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0023364 k( 121) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0023364 k( 122) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0023364 k( 123) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0023364 k( 124) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023364 k( 125) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0023364 k( 126) = ( 0.0130001 0.4994865 0.5000000), wk = 0.0023364 k( 127) = ( 0.0260001 0.4989731 0.5000000), wk = 0.0023364 k( 128) = ( 0.0390002 0.4984597 0.5000000), wk = 0.0023364 k( 129) = ( 0.0520003 0.4979462 0.5000000), wk = 0.0023364 k( 130) = ( 0.0650003 0.4974328 0.5000000), wk = 0.0023364 k( 131) = ( 0.0780004 0.4969193 0.5000000), wk = 0.0023364 k( 132) = ( 0.0910005 0.4964059 0.5000000), wk = 0.0023364 k( 133) = ( 0.1040005 0.4958924 0.5000000), wk = 0.0023364 k( 134) = ( 0.1170006 0.4953790 0.5000000), wk = 0.0023364 k( 135) = ( 0.1300007 0.4948655 0.5000000), wk = 0.0023364 k( 136) = ( 0.1430007 0.4943521 0.5000000), wk = 0.0023364 k( 137) = ( 0.1560008 0.4938387 0.5000000), wk = 0.0023364 k( 138) = ( 0.1690009 0.4933252 0.5000000), wk = 0.0023364 k( 139) = ( 0.1820009 0.4928118 0.5000000), wk = 0.0023364 k( 140) = ( 0.1950010 0.4922983 0.5000000), wk = 0.0023364 k( 141) = ( 0.2080011 0.4917849 0.5000000), wk = 0.0023364 k( 142) = ( 0.2210012 0.4912714 0.5000000), wk = 0.0023364 k( 143) = ( 0.2340012 0.4907580 0.5000000), wk = 0.0023364 k( 144) = ( 0.2470013 0.4902445 0.5000000), wk = 0.0023364 k( 145) = ( 0.2600014 0.4897311 0.5000000), wk = 0.0023364 k( 146) = ( 0.2730014 0.4892176 0.5000000), wk = 0.0023364 k( 147) = ( 0.2860015 0.4887042 0.5000000), wk = 0.0023364 k( 148) = ( 0.2990016 0.4881908 0.5000000), wk = 0.0023364 k( 149) = ( 0.3120016 0.4876773 0.5000000), wk = 0.0023364 k( 150) = ( 0.3250017 0.4871639 0.5000000), wk = 0.0023364 k( 151) = ( 0.3380018 0.4866504 0.5000000), wk = 0.0023364 k( 152) = ( 0.3510018 0.4861370 0.5000000), wk = 0.0023364 k( 153) = ( 0.3640019 0.4856235 0.5000000), wk = 0.0023364 k( 154) = ( 0.3770020 0.4851101 0.5000000), wk = 0.0023364 k( 155) = ( 0.3900020 0.4845966 0.5000000), wk = 0.0023364 k( 156) = ( 0.4030021 0.4840832 0.5000000), wk = 0.0023364 k( 157) = ( 0.4160022 0.4835697 0.5000000), wk = 0.0023364 k( 158) = ( 0.4290022 0.4830563 0.5000000), wk = 0.0023364 k( 159) = ( 0.4420023 0.4825428 0.5000000), wk = 0.0023364 k( 160) = ( 0.4550024 0.4820294 0.5000000), wk = 0.0023364 k( 161) = ( 0.4680024 0.4815160 0.5000000), wk = 0.0023364 k( 162) = ( 0.4810025 0.4810025 0.5000000), wk = 0.0023364 k( 163) = ( 0.4810025 0.4810025 0.5000000), wk = 0.0023364 k( 164) = ( 0.4719270 0.4719270 0.5000000), wk = 0.0023364 k( 165) = ( 0.4628515 0.4628515 0.5000000), wk = 0.0023364 k( 166) = ( 0.4537759 0.4537760 0.5000000), wk = 0.0023364 k( 167) = ( 0.4447004 0.4447004 0.5000000), wk = 0.0023364 k( 168) = ( 0.4356249 0.4356249 0.5000000), wk = 0.0023364 k( 169) = ( 0.4265494 0.4265494 0.5000000), wk = 0.0023364 k( 170) = ( 0.4174739 0.4174739 0.5000000), wk = 0.0023364 k( 171) = ( 0.4083984 0.4083984 0.5000000), wk = 0.0023364 k( 172) = ( 0.3993228 0.3993228 0.5000000), wk = 0.0023364 k( 173) = ( 0.3902473 0.3902473 0.5000000), wk = 0.0023364 k( 174) = ( 0.3811718 0.3811718 0.5000000), wk = 0.0023364 k( 175) = ( 0.3720963 0.3720963 0.5000000), wk = 0.0023364 k( 176) = ( 0.3630208 0.3630208 0.5000000), wk = 0.0023364 k( 177) = ( 0.3539452 0.3539452 0.5000000), wk = 0.0023364 k( 178) = ( 0.3448697 0.3448697 0.5000000), wk = 0.0023364 k( 179) = ( 0.3357942 0.3357942 0.5000000), wk = 0.0023364 k( 180) = ( 0.3267187 0.3267187 0.5000000), wk = 0.0023364 k( 181) = ( 0.3176432 0.3176432 0.5000000), wk = 0.0023364 k( 182) = ( 0.3085676 0.3085676 0.5000000), wk = 0.0023364 k( 183) = ( 0.2994921 0.2994921 0.5000000), wk = 0.0023364 k( 184) = ( 0.2904166 0.2904166 0.5000000), wk = 0.0023364 k( 185) = ( 0.2813411 0.2813411 0.5000000), wk = 0.0023364 k( 186) = ( 0.2722656 0.2722656 0.5000000), wk = 0.0023364 k( 187) = ( 0.2631901 0.2631901 0.5000000), wk = 0.0023364 k( 188) = ( 0.2541145 0.2541145 0.5000000), wk = 0.0023364 k( 189) = ( 0.2450390 0.2450390 0.5000000), wk = 0.0023364 k( 190) = ( 0.2359635 0.2359635 0.5000000), wk = 0.0023364 k( 191) = ( 0.2268880 0.2268880 0.5000000), wk = 0.0023364 k( 192) = ( 0.2178124 0.2178125 0.5000000), wk = 0.0023364 k( 193) = ( 0.2087369 0.2087369 0.5000000), wk = 0.0023364 k( 194) = ( 0.1996614 0.1996614 0.5000000), wk = 0.0023364 k( 195) = ( 0.1905859 0.1905859 0.5000000), wk = 0.0023364 k( 196) = ( 0.1815104 0.1815104 0.5000000), wk = 0.0023364 k( 197) = ( 0.1724349 0.1724349 0.5000000), wk = 0.0023364 k( 198) = ( 0.1633593 0.1633593 0.5000000), wk = 0.0023364 k( 199) = ( 0.1542838 0.1542838 0.5000000), wk = 0.0023364 k( 200) = ( 0.1452083 0.1452083 0.5000000), wk = 0.0023364 k( 201) = ( 0.1361328 0.1361328 0.5000000), wk = 0.0023364 k( 202) = ( 0.1270573 0.1270573 0.5000000), wk = 0.0023364 k( 203) = ( 0.1179817 0.1179818 0.5000000), wk = 0.0023364 k( 204) = ( 0.1089062 0.1089062 0.5000000), wk = 0.0023364 k( 205) = ( 0.0998307 0.0998307 0.5000000), wk = 0.0023364 k( 206) = ( 0.0907552 0.0907552 0.5000000), wk = 0.0023364 k( 207) = ( 0.0816797 0.0816797 0.5000000), wk = 0.0023364 k( 208) = ( 0.0726042 0.0726042 0.5000000), wk = 0.0023364 k( 209) = ( 0.0635286 0.0635286 0.5000000), wk = 0.0023364 k( 210) = ( 0.0544531 0.0544531 0.5000000), wk = 0.0023364 k( 211) = ( 0.0453776 0.0453776 0.5000000), wk = 0.0023364 k( 212) = ( 0.0363021 0.0363021 0.5000000), wk = 0.0023364 k( 213) = ( 0.0272266 0.0272266 0.5000000), wk = 0.0023364 k( 214) = ( 0.0181510 0.0181510 0.5000000), wk = 0.0023364 k( 215) = ( 0.0090755 0.0090755 0.5000000), wk = 0.0023364 k( 216) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023364 k( 217) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023364 k( 218) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0023364 k( 219) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0023364 k( 220) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0023364 k( 221) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0023364 k( 222) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0023364 k( 223) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0023364 k( 224) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0023364 k( 225) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0023364 k( 226) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0023364 k( 227) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0023364 k( 228) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0023364 k( 229) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0023364 k( 230) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0023364 k( 231) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0023364 k( 232) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0023364 k( 233) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0023364 k( 234) = ( 0.0000000 0.0000000 0.2258065), wk = 0.0023364 k( 235) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0023364 k( 236) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0023364 k( 237) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0023364 k( 238) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0023364 k( 239) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0023364 k( 240) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0023364 k( 241) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0023364 k( 242) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0023364 k( 243) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0023364 k( 244) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0023364 k( 245) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0023364 k( 246) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0023364 k( 247) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0023364 k( 248) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 249) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0023364 k( 250) = ( -0.0094340 0.0094340 0.0000000), wk = 0.0023364 k( 251) = ( -0.0188679 0.0188679 0.0000000), wk = 0.0023364 k( 252) = ( -0.0283019 0.0283019 0.0000000), wk = 0.0023364 k( 253) = ( -0.0377359 0.0377359 0.0000000), wk = 0.0023364 k( 254) = ( -0.0471698 0.0471698 0.0000000), wk = 0.0023364 k( 255) = ( -0.0566038 0.0566038 0.0000000), wk = 0.0023364 k( 256) = ( -0.0660377 0.0660377 0.0000000), wk = 0.0023364 k( 257) = ( -0.0754717 0.0754717 0.0000000), wk = 0.0023364 k( 258) = ( -0.0849057 0.0849057 0.0000000), wk = 0.0023364 k( 259) = ( -0.0943396 0.0943396 0.0000000), wk = 0.0023364 k( 260) = ( -0.1037736 0.1037736 0.0000000), wk = 0.0023364 k( 261) = ( -0.1132076 0.1132076 0.0000000), wk = 0.0023364 k( 262) = ( -0.1226415 0.1226415 0.0000000), wk = 0.0023364 k( 263) = ( -0.1320755 0.1320755 0.0000000), wk = 0.0023364 k( 264) = ( -0.1415094 0.1415094 0.0000000), wk = 0.0023364 k( 265) = ( -0.1509434 0.1509434 0.0000000), wk = 0.0023364 k( 266) = ( -0.1603774 0.1603774 0.0000000), wk = 0.0023364 k( 267) = ( -0.1698113 0.1698113 0.0000000), wk = 0.0023364 k( 268) = ( -0.1792453 0.1792453 0.0000000), wk = 0.0023364 k( 269) = ( -0.1886792 0.1886793 0.0000000), wk = 0.0023364 k( 270) = ( -0.1981132 0.1981132 0.0000000), wk = 0.0023364 k( 271) = ( -0.2075472 0.2075472 0.0000000), wk = 0.0023364 k( 272) = ( -0.2169811 0.2169811 0.0000000), wk = 0.0023364 k( 273) = ( -0.2264151 0.2264151 0.0000000), wk = 0.0023364 k( 274) = ( -0.2358491 0.2358491 0.0000000), wk = 0.0023364 k( 275) = ( -0.2452830 0.2452830 0.0000000), wk = 0.0023364 k( 276) = ( -0.2547170 0.2547170 0.0000000), wk = 0.0023364 k( 277) = ( -0.2641509 0.2641509 0.0000000), wk = 0.0023364 k( 278) = ( -0.2735849 0.2735849 0.0000000), wk = 0.0023364 k( 279) = ( -0.2830189 0.2830189 0.0000000), wk = 0.0023364 k( 280) = ( -0.2924528 0.2924528 0.0000000), wk = 0.0023364 k( 281) = ( -0.3018868 0.3018868 0.0000000), wk = 0.0023364 k( 282) = ( -0.3113207 0.3113207 0.0000000), wk = 0.0023364 k( 283) = ( -0.3207547 0.3207547 0.0000000), wk = 0.0023364 k( 284) = ( -0.3301887 0.3301887 0.0000000), wk = 0.0023364 k( 285) = ( -0.3396226 0.3396226 0.0000000), wk = 0.0023364 k( 286) = ( -0.3490566 0.3490566 0.0000000), wk = 0.0023364 k( 287) = ( -0.3584906 0.3584906 0.0000000), wk = 0.0023364 k( 288) = ( -0.3679245 0.3679245 0.0000000), wk = 0.0023364 k( 289) = ( -0.3773585 0.3773585 0.0000000), wk = 0.0023364 k( 290) = ( -0.3867925 0.3867925 0.0000000), wk = 0.0023364 k( 291) = ( -0.3962264 0.3962264 0.0000000), wk = 0.0023364 k( 292) = ( -0.4056604 0.4056604 0.0000000), wk = 0.0023364 k( 293) = ( -0.4150943 0.4150943 0.0000000), wk = 0.0023364 k( 294) = ( -0.4245283 0.4245283 0.0000000), wk = 0.0023364 k( 295) = ( -0.4339623 0.4339623 0.0000000), wk = 0.0023364 k( 296) = ( -0.4433962 0.4433962 0.0000000), wk = 0.0023364 k( 297) = ( -0.4528302 0.4528302 0.0000000), wk = 0.0023364 k( 298) = ( -0.4622641 0.4622642 0.0000000), wk = 0.0023364 k( 299) = ( -0.4716981 0.4716981 0.0000000), wk = 0.0023364 k( 300) = ( -0.4811321 0.4811321 0.0000000), wk = 0.0023364 k( 301) = ( -0.4905660 0.4905660 0.0000000), wk = 0.0023364 k( 302) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023364 k( 303) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023364 k( 304) = ( -0.4936675 0.5063325 0.0000000), wk = 0.0023364 k( 305) = ( -0.4873350 0.5126650 0.0000000), wk = 0.0023364 k( 306) = ( -0.4810025 0.5189975 0.0000000), wk = 0.0023364 k( 307) = ( -0.4810025 0.5189975 0.0000000), wk = 0.0023364 k( 308) = ( -0.4810025 0.5189975 0.0161290), wk = 0.0023364 k( 309) = ( -0.4810025 0.5189975 0.0322581), wk = 0.0023364 k( 310) = ( -0.4810025 0.5189975 0.0483871), wk = 0.0023364 k( 311) = ( -0.4810025 0.5189975 0.0645161), wk = 0.0023364 k( 312) = ( -0.4810025 0.5189975 0.0806452), wk = 0.0023364 k( 313) = ( -0.4810025 0.5189975 0.0967742), wk = 0.0023364 k( 314) = ( -0.4810025 0.5189975 0.1129032), wk = 0.0023364 k( 315) = ( -0.4810025 0.5189975 0.1290323), wk = 0.0023364 k( 316) = ( -0.4810025 0.5189975 0.1451613), wk = 0.0023364 k( 317) = ( -0.4810025 0.5189975 0.1612903), wk = 0.0023364 k( 318) = ( -0.4810025 0.5189975 0.1774194), wk = 0.0023364 k( 319) = ( -0.4810025 0.5189975 0.1935484), wk = 0.0023364 k( 320) = ( -0.4810025 0.5189975 0.2096774), wk = 0.0023364 k( 321) = ( -0.4810025 0.5189975 0.2258065), wk = 0.0023364 k( 322) = ( -0.4810025 0.5189975 0.2419355), wk = 0.0023364 k( 323) = ( -0.4810025 0.5189975 0.2580645), wk = 0.0023364 k( 324) = ( -0.4810025 0.5189975 0.2741936), wk = 0.0023364 k( 325) = ( -0.4810025 0.5189975 0.2903226), wk = 0.0023364 k( 326) = ( -0.4810025 0.5189975 0.3064516), wk = 0.0023364 k( 327) = ( -0.4810025 0.5189975 0.3225807), wk = 0.0023364 k( 328) = ( -0.4810025 0.5189975 0.3387097), wk = 0.0023364 k( 329) = ( -0.4810025 0.5189975 0.3548387), wk = 0.0023364 k( 330) = ( -0.4810025 0.5189975 0.3709677), wk = 0.0023364 k( 331) = ( -0.4810025 0.5189975 0.3870968), wk = 0.0023364 k( 332) = ( -0.4810025 0.5189975 0.4032258), wk = 0.0023364 k( 333) = ( -0.4810025 0.5189975 0.4193548), wk = 0.0023364 k( 334) = ( -0.4810025 0.5189975 0.4354839), wk = 0.0023364 k( 335) = ( -0.4810025 0.5189975 0.4516129), wk = 0.0023364 k( 336) = ( -0.4810025 0.5189975 0.4677419), wk = 0.0023364 k( 337) = ( -0.4810025 0.5189975 0.4838710), wk = 0.0023364 k( 338) = ( -0.4810025 0.5189975 0.5000000), wk = 0.0023364 k( 339) = ( -0.4810025 0.5189975 0.5000000), wk = 0.0023364 k( 340) = ( -0.4873350 0.5126650 0.5000000), wk = 0.0023364 k( 341) = ( -0.4936675 0.5063325 0.5000000), wk = 0.0023364 k( 342) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023364 k( 343) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023364 k( 344) = ( -0.5000000 0.5000000 0.4838710), wk = 0.0023364 k( 345) = ( -0.5000000 0.5000000 0.4677419), wk = 0.0023364 k( 346) = ( -0.5000000 0.5000000 0.4516129), wk = 0.0023364 k( 347) = ( -0.5000000 0.5000000 0.4354839), wk = 0.0023364 k( 348) = ( -0.5000000 0.5000000 0.4193548), wk = 0.0023364 k( 349) = ( -0.5000000 0.5000000 0.4032258), wk = 0.0023364 k( 350) = ( -0.5000000 0.5000000 0.3870968), wk = 0.0023364 k( 351) = ( -0.5000000 0.5000000 0.3709677), wk = 0.0023364 k( 352) = ( -0.5000000 0.5000000 0.3548387), wk = 0.0023364 k( 353) = ( -0.5000000 0.5000000 0.3387097), wk = 0.0023364 k( 354) = ( -0.5000000 0.5000000 0.3225807), wk = 0.0023364 k( 355) = ( -0.5000000 0.5000000 0.3064516), wk = 0.0023364 k( 356) = ( -0.5000000 0.5000000 0.2903226), wk = 0.0023364 k( 357) = ( -0.5000000 0.5000000 0.2741936), wk = 0.0023364 k( 358) = ( -0.5000000 0.5000000 0.2580645), wk = 0.0023364 k( 359) = ( -0.5000000 0.5000000 0.2419355), wk = 0.0023364 k( 360) = ( -0.5000000 0.5000000 0.2258065), wk = 0.0023364 k( 361) = ( -0.5000000 0.5000000 0.2096774), wk = 0.0023364 k( 362) = ( -0.5000000 0.5000000 0.1935484), wk = 0.0023364 k( 363) = ( -0.5000000 0.5000000 0.1774194), wk = 0.0023364 k( 364) = ( -0.5000000 0.5000000 0.1612903), wk = 0.0023364 k( 365) = ( -0.5000000 0.5000000 0.1451613), wk = 0.0023364 k( 366) = ( -0.5000000 0.5000000 0.1290323), wk = 0.0023364 k( 367) = ( -0.5000000 0.5000000 0.1129032), wk = 0.0023364 k( 368) = ( -0.5000000 0.5000000 0.0967742), wk = 0.0023364 k( 369) = ( -0.5000000 0.5000000 0.0806452), wk = 0.0023364 k( 370) = ( -0.5000000 0.5000000 0.0645161), wk = 0.0023364 k( 371) = ( -0.5000000 0.5000000 0.0483871), wk = 0.0023364 k( 372) = ( -0.5000000 0.5000000 0.0322581), wk = 0.0023364 k( 373) = ( -0.5000000 0.5000000 0.0161290), wk = 0.0023364 k( 374) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0023364 k( 375) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0023364 k( 376) = ( -0.0094340 0.0094340 0.5000000), wk = 0.0023364 k( 377) = ( -0.0188679 0.0188679 0.5000000), wk = 0.0023364 k( 378) = ( -0.0283019 0.0283019 0.5000000), wk = 0.0023364 k( 379) = ( -0.0377359 0.0377359 0.5000000), wk = 0.0023364 k( 380) = ( -0.0471698 0.0471698 0.5000000), wk = 0.0023364 k( 381) = ( -0.0566038 0.0566038 0.5000000), wk = 0.0023364 k( 382) = ( -0.0660377 0.0660377 0.5000000), wk = 0.0023364 k( 383) = ( -0.0754717 0.0754717 0.5000000), wk = 0.0023364 k( 384) = ( -0.0849057 0.0849057 0.5000000), wk = 0.0023364 k( 385) = ( -0.0943396 0.0943396 0.5000000), wk = 0.0023364 k( 386) = ( -0.1037736 0.1037736 0.5000000), wk = 0.0023364 k( 387) = ( -0.1132076 0.1132076 0.5000000), wk = 0.0023364 k( 388) = ( -0.1226415 0.1226415 0.5000000), wk = 0.0023364 k( 389) = ( -0.1320755 0.1320755 0.5000000), wk = 0.0023364 k( 390) = ( -0.1415094 0.1415094 0.5000000), wk = 0.0023364 k( 391) = ( -0.1509434 0.1509434 0.5000000), wk = 0.0023364 k( 392) = ( -0.1603774 0.1603774 0.5000000), wk = 0.0023364 k( 393) = ( -0.1698113 0.1698113 0.5000000), wk = 0.0023364 k( 394) = ( -0.1792453 0.1792453 0.5000000), wk = 0.0023364 k( 395) = ( -0.1886792 0.1886793 0.5000000), wk = 0.0023364 k( 396) = ( -0.1981132 0.1981132 0.5000000), wk = 0.0023364 k( 397) = ( -0.2075472 0.2075472 0.5000000), wk = 0.0023364 k( 398) = ( -0.2169811 0.2169811 0.5000000), wk = 0.0023364 k( 399) = ( -0.2264151 0.2264151 0.5000000), wk = 0.0023364 k( 400) = ( -0.2358491 0.2358491 0.5000000), wk = 0.0023364 k( 401) = ( -0.2452830 0.2452830 0.5000000), wk = 0.0023364 k( 402) = ( -0.2547170 0.2547170 0.5000000), wk = 0.0023364 k( 403) = ( -0.2641509 0.2641509 0.5000000), wk = 0.0023364 k( 404) = ( -0.2735849 0.2735849 0.5000000), wk = 0.0023364 k( 405) = ( -0.2830189 0.2830189 0.5000000), wk = 0.0023364 k( 406) = ( -0.2924528 0.2924528 0.5000000), wk = 0.0023364 k( 407) = ( -0.3018868 0.3018868 0.5000000), wk = 0.0023364 k( 408) = ( -0.3113207 0.3113207 0.5000000), wk = 0.0023364 k( 409) = ( -0.3207547 0.3207547 0.5000000), wk = 0.0023364 k( 410) = ( -0.3301887 0.3301887 0.5000000), wk = 0.0023364 k( 411) = ( -0.3396226 0.3396226 0.5000000), wk = 0.0023364 k( 412) = ( -0.3490566 0.3490566 0.5000000), wk = 0.0023364 k( 413) = ( -0.3584906 0.3584906 0.5000000), wk = 0.0023364 k( 414) = ( -0.3679245 0.3679245 0.5000000), wk = 0.0023364 k( 415) = ( -0.3773585 0.3773585 0.5000000), wk = 0.0023364 k( 416) = ( -0.3867925 0.3867925 0.5000000), wk = 0.0023364 k( 417) = ( -0.3962264 0.3962264 0.5000000), wk = 0.0023364 k( 418) = ( -0.4056604 0.4056604 0.5000000), wk = 0.0023364 k( 419) = ( -0.4150943 0.4150943 0.5000000), wk = 0.0023364 k( 420) = ( -0.4245283 0.4245283 0.5000000), wk = 0.0023364 k( 421) = ( -0.4339623 0.4339623 0.5000000), wk = 0.0023364 k( 422) = ( -0.4433962 0.4433962 0.5000000), wk = 0.0023364 k( 423) = ( -0.4528302 0.4528302 0.5000000), wk = 0.0023364 k( 424) = ( -0.4622641 0.4622642 0.5000000), wk = 0.0023364 k( 425) = ( -0.4716981 0.4716981 0.5000000), wk = 0.0023364 k( 426) = ( -0.4811321 0.4811321 0.5000000), wk = 0.0023364 k( 427) = ( -0.4905660 0.4905660 0.5000000), wk = 0.0023364 k( 428) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0023364 Dense grid: 58767 G-vectors FFT dimensions: ( 45, 45, 60) Smooth grid: 25009 G-vectors FFT dimensions: ( 36, 36, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.11 Mb ( 196, 36) NL pseudopotentials 0.12 Mb ( 98, 80) Each V/rho on FFT grid 0.06 Mb ( 4050) Each G-vector array 0.01 Mb ( 1636) G-vector shells 0.01 Mb ( 840) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.43 Mb ( 196, 144) Each subspace H/S matrix 0.02 Mb ( 36, 36) Each matrix 0.09 Mb ( 80, 2, 36) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./BH6N.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 1.6 secs Computing kpt #: 2 total cpu time spent up to now is 1.9 secs Computing kpt #: 3 total cpu time spent up to now is 2.2 secs Computing kpt #: 4 total cpu time spent up to now is 2.5 secs Computing kpt #: 5 total cpu time spent up to now is 2.8 secs Computing kpt #: 6 total cpu time spent up to now is 3.2 secs Computing kpt #: 7 total cpu time spent up to now is 3.4 secs Computing kpt #: 8 total cpu time spent up to now is 3.8 secs Computing kpt #: 9 total cpu time spent up to now is 4.0 secs Computing kpt #: 10 total cpu time spent up to now is 4.3 secs Computing kpt #: 11 total cpu time spent up to now is 4.7 secs Computing kpt #: 12 total cpu time spent up to now is 5.0 secs Computing kpt #: 13 total cpu time spent up to now is 5.3 secs Computing kpt #: 14 total cpu time spent up to now is 5.6 secs Computing kpt #: 15 total cpu time spent up to now is 6.0 secs Computing kpt #: 16 total cpu time spent up to now is 6.4 secs Computing kpt #: 17 total cpu time spent up to now is 6.7 secs Computing kpt #: 18 total cpu time spent up to now is 7.0 secs Computing kpt #: 19 total cpu time spent up to now is 7.4 secs Computing kpt #: 20 total cpu time spent up to now is 7.7 secs Computing kpt #: 21 total cpu time spent up to now is 8.0 secs Computing kpt #: 22 total cpu time spent up to now is 8.4 secs Computing kpt #: 23 total cpu time spent up to now is 8.7 secs Computing kpt #: 24 total cpu time spent up to now is 9.0 secs Computing kpt #: 25 total cpu time spent up to now is 9.4 secs Computing kpt #: 26 total cpu time spent up to now is 9.7 secs Computing kpt #: 27 total cpu time spent up to now is 10.0 secs Computing kpt #: 28 total cpu time spent up to now is 10.4 secs Computing kpt #: 29 total cpu time spent up to now is 10.7 secs Computing kpt #: 30 total cpu time spent up to now is 11.0 secs Computing kpt #: 31 total cpu time spent up to now is 11.4 secs Computing kpt #: 32 total cpu time spent up to now is 11.7 secs Computing kpt #: 33 total cpu time spent up to now is 12.0 secs Computing kpt #: 34 total cpu time spent up to now is 12.4 secs Computing kpt #: 35 total cpu time spent up to now is 12.8 secs Computing kpt #: 36 total cpu time spent up to now is 13.2 secs Computing kpt #: 37 total cpu time spent up to now is 13.6 secs Computing kpt #: 38 total cpu time spent up to now is 13.9 secs Computing kpt #: 39 total cpu time spent up to now is 14.3 secs Computing kpt #: 40 total cpu time spent up to now is 14.6 secs Computing kpt #: 41 total cpu time spent up to now is 15.0 secs Computing kpt #: 42 total cpu time spent up to now is 15.3 secs Computing kpt #: 43 total cpu time spent up to now is 15.6 secs Computing kpt #: 44 total cpu time spent up to now is 16.0 secs Computing kpt #: 45 total cpu time spent up to now is 16.3 secs Computing kpt #: 46 total cpu time spent up to now is 16.6 secs Computing kpt #: 47 total cpu time spent up to now is 16.9 secs Computing kpt #: 48 total cpu time spent up to now is 17.3 secs Computing kpt #: 49 total cpu time spent up to now is 17.6 secs Computing kpt #: 50 total cpu time spent up to now is 17.9 secs Computing kpt #: 51 total cpu time spent up to now is 18.3 secs Computing kpt #: 52 total cpu time spent up to now is 18.6 secs Computing kpt #: 53 total cpu time spent up to now is 18.9 secs Computing kpt #: 54 total cpu time spent up to now is 19.2 secs Computing kpt #: 55 total cpu time spent up to now is 19.6 secs Computing kpt #: 56 total cpu time spent up to now is 19.9 secs Computing kpt #: 57 total cpu time spent up to now is 20.2 secs Computing kpt #: 58 total cpu time spent up to now is 20.6 secs Computing kpt #: 59 total cpu time spent up to now is 20.9 secs Computing kpt #: 60 total cpu time spent up to now is 21.3 secs Computing kpt #: 61 total cpu time spent up to now is 21.6 secs Computing kpt #: 62 total cpu time spent up to now is 22.0 secs Computing kpt #: 63 total cpu time spent up to now is 22.3 secs Computing kpt #: 64 total cpu time spent up to now is 22.6 secs Computing kpt #: 65 total cpu time spent up to now is 23.0 secs Computing kpt #: 66 total cpu time spent up to now is 23.3 secs Computing kpt #: 67 total cpu time spent up to now is 23.6 secs Computing kpt #: 68 total cpu time spent up to now is 24.0 secs Computing kpt #: 69 total cpu time spent up to now is 24.4 secs Computing kpt #: 70 total cpu time spent up to now is 24.7 secs Computing kpt #: 71 total cpu time spent up to now is 25.1 secs Computing kpt #: 72 total cpu time spent up to now is 25.5 secs Computing kpt #: 73 total cpu time spent up to now is 25.8 secs Computing kpt #: 74 total cpu time spent up to now is 26.2 secs Computing kpt #: 75 total cpu time spent up to now is 26.6 secs Computing kpt #: 76 total cpu time spent up to now is 26.9 secs Computing kpt #: 77 total cpu time spent up to now is 27.2 secs Computing kpt #: 78 total cpu time spent up to now is 27.6 secs Computing kpt #: 79 total cpu time spent up to now is 28.0 secs Computing kpt #: 80 total cpu time spent up to now is 28.4 secs Computing kpt #: 81 total cpu time spent up to now is 28.8 secs Computing kpt #: 82 total cpu time spent up to now is 29.2 secs Computing kpt #: 83 total cpu time spent up to now is 29.6 secs Computing kpt #: 84 total cpu time spent up to now is 30.1 secs Computing kpt #: 85 total cpu time spent up to now is 30.5 secs Computing kpt #: 86 total cpu time spent up to now is 30.8 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 31.6 secs Computing kpt #: 89 total cpu time spent up to now is 32.0 secs Computing kpt #: 90 total cpu time spent up to now is 32.4 secs Computing kpt #: 91 total cpu time spent up to now is 32.8 secs Computing kpt #: 92 total cpu time spent up to now is 33.2 secs Computing kpt #: 93 total cpu time spent up to now is 33.6 secs Computing kpt #: 94 total cpu time spent up to now is 34.0 secs Computing kpt #: 95 total cpu time spent up to now is 34.4 secs Computing kpt #: 96 total cpu time spent up to now is 38.4 secs Computing kpt #: 97 total cpu time spent up to now is 38.8 secs Computing kpt #: 98 total cpu time spent up to now is 39.2 secs Computing kpt #: 99 total cpu time spent up to now is 39.6 secs Computing kpt #: 100 total cpu time spent up to now is 40.0 secs Computing kpt #: 101 total cpu time spent up to now is 40.4 secs Computing kpt #: 102 total cpu time spent up to now is 40.7 secs Computing kpt #: 103 total cpu time spent up to now is 41.1 secs Computing kpt #: 104 total cpu time spent up to now is 41.4 secs Computing kpt #: 105 total cpu time spent up to now is 41.8 secs Computing kpt #: 106 total cpu time spent up to now is 42.1 secs Computing kpt #: 107 total cpu time spent up to now is 42.4 secs Computing kpt #: 108 total cpu time spent up to now is 42.8 secs Computing kpt #: 109 total cpu time spent up to now is 43.1 secs Computing kpt #: 110 total cpu time spent up to now is 43.4 secs Computing kpt #: 111 total cpu time spent up to now is 43.7 secs Computing kpt #: 112 total cpu time spent up to now is 44.1 secs Computing kpt #: 113 total cpu time spent up to now is 44.4 secs Computing kpt #: 114 total cpu time spent up to now is 44.7 secs Computing kpt #: 115 total cpu time spent up to now is 45.0 secs Computing kpt #: 116 total cpu time spent up to now is 45.4 secs Computing kpt #: 117 total cpu time spent up to now is 45.7 secs Computing kpt #: 118 total cpu time spent up to now is 46.0 secs Computing kpt #: 119 total cpu time spent up to now is 46.4 secs Computing kpt #: 120 total cpu time spent up to now is 46.7 secs Computing kpt #: 121 total cpu time spent up to now is 47.0 secs Computing kpt #: 122 total cpu time spent up to now is 47.4 secs Computing kpt #: 123 total cpu time spent up to now is 47.7 secs Computing kpt #: 124 total cpu time spent up to now is 48.0 secs Computing kpt #: 125 total cpu time spent up to now is 48.4 secs Computing kpt #: 126 total cpu time spent up to now is 48.7 secs Computing kpt #: 127 total cpu time spent up to now is 49.0 secs Computing kpt #: 128 total cpu time spent up to now is 49.4 secs Computing kpt #: 129 total cpu time spent up to now is 49.7 secs Computing kpt #: 130 total cpu time spent up to now is 50.0 secs Computing kpt #: 131 total cpu time spent up to now is 50.3 secs Computing kpt #: 132 total cpu time spent up to now is 50.7 secs Computing kpt #: 133 total cpu time spent up to now is 51.0 secs Computing kpt #: 134 total cpu time spent up to now is 51.3 secs Computing kpt #: 135 total cpu time spent up to now is 51.6 secs Computing kpt #: 136 total cpu time spent up to now is 52.0 secs Computing kpt #: 137 total cpu time spent up to now is 52.3 secs Computing kpt #: 138 total cpu time spent up to now is 52.7 secs Computing kpt #: 139 total cpu time spent up to now is 53.0 secs Computing kpt #: 140 total cpu time spent up to now is 53.3 secs Computing kpt #: 141 total cpu time spent up to now is 53.6 secs Computing kpt #: 142 total cpu time spent up to now is 53.8 secs Computing kpt #: 143 total cpu time spent up to now is 54.2 secs Computing kpt #: 144 total cpu time spent up to now is 54.5 secs Computing kpt #: 145 total cpu time spent up to now is 54.8 secs Computing kpt #: 146 total cpu time spent up to now is 55.1 secs Computing kpt #: 147 total cpu time spent up to now is 55.4 secs Computing kpt #: 148 total cpu time spent up to now is 55.7 secs Computing kpt #: 149 total cpu time spent up to now is 56.0 secs Computing kpt #: 150 total cpu time spent up to now is 56.4 secs Computing kpt #: 151 total cpu time spent up to now is 56.7 secs Computing kpt #: 152 total cpu time spent up to now is 57.0 secs Computing kpt #: 153 total cpu time spent up to now is 57.3 secs Computing kpt #: 154 total cpu time spent up to now is 57.7 secs Computing kpt #: 155 total cpu time spent up to now is 58.0 secs Computing kpt #: 156 total cpu time spent up to now is 58.3 secs Computing kpt #: 157 total cpu time spent up to now is 58.7 secs Computing kpt #: 158 total cpu time spent up to now is 59.0 secs Computing kpt #: 159 total cpu time spent up to now is 59.3 secs Computing kpt #: 160 total cpu time spent up to now is 59.6 secs Computing kpt #: 161 total cpu time spent up to now is 59.9 secs Computing kpt #: 162 total cpu time spent up to now is 60.2 secs Computing kpt #: 163 total cpu time spent up to now is 60.5 secs Computing kpt #: 164 total cpu time spent up to now is 60.8 secs Computing kpt #: 165 total cpu time spent up to now is 61.1 secs Computing kpt #: 166 total cpu time spent up to now is 61.4 secs Computing kpt #: 167 total cpu time spent up to now is 61.7 secs Computing kpt #: 168 total cpu time spent up to now is 62.0 secs Computing kpt #: 169 total cpu time spent up to now is 62.4 secs Computing kpt #: 170 total cpu time spent up to now is 62.7 secs Computing kpt #: 171 total cpu time spent up to now is 63.0 secs Computing kpt #: 172 total cpu time spent up to now is 63.3 secs Computing kpt #: 173 total cpu time spent up to now is 63.6 secs Computing kpt #: 174 total cpu time spent up to now is 63.9 secs Computing kpt #: 175 total cpu time spent up to now is 64.2 secs Computing kpt #: 176 total cpu time spent up to now is 64.5 secs Computing kpt #: 177 total cpu time spent up to now is 64.8 secs Computing kpt #: 178 total cpu time spent up to now is 65.1 secs Computing kpt #: 179 total cpu time spent up to now is 65.5 secs Computing kpt #: 180 total cpu time spent up to now is 65.7 secs Computing kpt #: 181 total cpu time spent up to now is 66.0 secs Computing kpt #: 182 total cpu time spent up to now is 66.3 secs Computing kpt #: 183 total cpu time spent up to now is 66.6 secs Computing kpt #: 184 total cpu time spent up to now is 66.9 secs Computing kpt #: 185 total cpu time spent up to now is 67.2 secs Computing kpt #: 186 total cpu time spent up to now is 67.5 secs Computing kpt #: 187 total cpu time spent up to now is 67.8 secs Computing kpt #: 188 total cpu time spent up to now is 68.0 secs Computing kpt #: 189 total cpu time spent up to now is 68.3 secs Computing kpt #: 190 total cpu time spent up to now is 68.6 secs Computing kpt #: 191 total cpu time spent up to now is 68.9 secs Computing kpt #: 192 total cpu time spent up to now is 69.2 secs Computing kpt #: 193 total cpu time spent up to now is 69.6 secs Computing kpt #: 194 total cpu time spent up to now is 70.0 secs Computing kpt #: 195 total cpu time spent up to now is 70.3 secs Computing kpt #: 196 total cpu time spent up to now is 70.5 secs Computing kpt #: 197 total cpu time spent up to now is 70.8 secs Computing kpt #: 198 total cpu time spent up to now is 71.1 secs Computing kpt #: 199 total cpu time spent up to now is 71.4 secs Computing kpt #: 200 total cpu time spent up to now is 71.8 secs Computing kpt #: 201 total cpu time spent up to now is 72.1 secs Computing kpt #: 202 total cpu time spent up to now is 72.4 secs Computing kpt #: 203 total cpu time spent up to now is 72.7 secs Computing kpt #: 204 total cpu time spent up to now is 73.0 secs Computing kpt #: 205 total cpu time spent up to now is 73.3 secs Computing kpt #: 206 total cpu time spent up to now is 73.6 secs Computing kpt #: 207 total cpu time spent up to now is 74.0 secs Computing kpt #: 208 total cpu time spent up to now is 74.3 secs Computing kpt #: 209 total cpu time spent up to now is 74.6 secs Computing kpt #: 210 total cpu time spent up to now is 74.9 secs Computing kpt #: 211 total cpu time spent up to now is 75.2 secs Computing kpt #: 212 total cpu time spent up to now is 75.5 secs Computing kpt #: 213 total cpu time spent up to now is 75.8 secs Computing kpt #: 214 total cpu time spent up to now is 76.2 secs Computing kpt #: 215 total cpu time spent up to now is 76.5 secs Computing kpt #: 216 total cpu time spent up to now is 76.9 secs Computing kpt #: 217 total cpu time spent up to now is 77.2 secs Computing kpt #: 218 total cpu time spent up to now is 77.4 secs Computing kpt #: 219 total cpu time spent up to now is 77.7 secs Computing kpt #: 220 total cpu time spent up to now is 78.0 secs Computing kpt #: 221 total cpu time spent up to now is 78.4 secs Computing kpt #: 222 total cpu time spent up to now is 78.7 secs Computing kpt #: 223 total cpu time spent up to now is 79.0 secs Computing kpt #: 224 total cpu time spent up to now is 79.3 secs Computing kpt #: 225 total cpu time spent up to now is 79.6 secs Computing kpt #: 226 total cpu time spent up to now is 79.8 secs Computing kpt #: 227 total cpu time spent up to now is 80.1 secs Computing kpt #: 228 total cpu time spent up to now is 80.4 secs Computing kpt #: 229 total cpu time spent up to now is 80.7 secs Computing kpt #: 230 total cpu time spent up to now is 81.0 secs Computing kpt #: 231 total cpu time spent up to now is 81.3 secs Computing kpt #: 232 total cpu time spent up to now is 81.6 secs Computing kpt #: 233 total cpu time spent up to now is 81.9 secs Computing kpt #: 234 total cpu time spent up to now is 82.3 secs Computing kpt #: 235 total cpu time spent up to now is 82.6 secs Computing kpt #: 236 total cpu time spent up to now is 82.9 secs Computing kpt #: 237 total cpu time spent up to now is 83.2 secs Computing kpt #: 238 total cpu time spent up to now is 83.5 secs Computing kpt #: 239 total cpu time spent up to now is 83.8 secs Computing kpt #: 240 total cpu time spent up to now is 84.1 secs Computing kpt #: 241 total cpu time spent up to now is 84.4 secs Computing kpt #: 242 total cpu time spent up to now is 84.7 secs Computing kpt #: 243 total cpu time spent up to now is 85.0 secs Computing kpt #: 244 total cpu time spent up to now is 85.3 secs Computing kpt #: 245 total cpu time spent up to now is 85.6 secs Computing kpt #: 246 total cpu time spent up to now is 85.9 secs Computing kpt #: 247 total cpu time spent up to now is 86.2 secs Computing kpt #: 248 total cpu time spent up to now is 86.5 secs Computing kpt #: 249 total cpu time spent up to now is 86.8 secs Computing kpt #: 250 total cpu time spent up to now is 87.1 secs Computing kpt #: 251 total cpu time spent up to now is 87.4 secs Computing kpt #: 252 total cpu time spent up to now is 87.8 secs Computing kpt #: 253 total cpu time spent up to now is 88.1 secs Computing kpt #: 254 total cpu time spent up to now is 88.4 secs Computing kpt #: 255 total cpu time spent up to now is 88.7 secs Computing kpt #: 256 total cpu time spent up to now is 89.0 secs Computing kpt #: 257 total cpu time spent up to now is 89.3 secs Computing kpt #: 258 total cpu time spent up to now is 89.6 secs Computing kpt #: 259 total cpu time spent up to now is 90.0 secs Computing kpt #: 260 total cpu time spent up to now is 90.3 secs Computing kpt #: 261 total cpu time spent up to now is 90.6 secs Computing kpt #: 262 total cpu time spent up to now is 91.0 secs Computing kpt #: 263 total cpu time spent up to now is 91.4 secs Computing kpt #: 264 total cpu time spent up to now is 91.7 secs Computing kpt #: 265 total cpu time spent up to now is 92.1 secs Computing kpt #: 266 total cpu time spent up to now is 92.5 secs Computing kpt #: 267 total cpu time spent up to now is 92.9 secs Computing kpt #: 268 total cpu time spent up to now is 93.2 secs Computing kpt #: 269 total cpu time spent up to now is 93.6 secs Computing kpt #: 270 total cpu time spent up to now is 94.0 secs Computing kpt #: 271 total cpu time spent up to now is 94.3 secs Computing kpt #: 272 total cpu time spent up to now is 94.7 secs Computing kpt #: 273 total cpu time spent up to now is 95.0 secs Computing kpt #: 274 total cpu time spent up to now is 95.4 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 96.2 secs Computing kpt #: 277 total cpu time spent up to now is 96.5 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 97.2 secs Computing kpt #: 280 total cpu time spent up to now is 97.5 secs Computing kpt #: 281 total cpu time spent up to now is 97.8 secs Computing kpt #: 282 total cpu time spent up to now is 98.2 secs Computing kpt #: 283 total cpu time spent up to now is 98.5 secs Computing kpt #: 284 total cpu time spent up to now is 98.9 secs Computing kpt #: 285 total cpu time spent up to now is 99.2 secs Computing kpt #: 286 total cpu time spent up to now is 99.6 secs Computing kpt #: 287 total cpu time spent up to now is 100.2 secs Computing kpt #: 288 total cpu time spent up to now is 100.6 secs Computing kpt #: 289 total cpu time spent up to now is 101.0 secs Computing kpt #: 290 total cpu time spent up to now is 101.4 secs Computing kpt #: 291 total cpu time spent up to now is 101.7 secs Computing kpt #: 292 total cpu time spent up to now is 102.1 secs Computing kpt #: 293 total cpu time spent up to now is 102.4 secs Computing kpt #: 294 total cpu time spent up to now is 102.8 secs Computing kpt #: 295 total cpu time spent up to now is 103.1 secs Computing kpt #: 296 total cpu time spent up to now is 103.5 secs Computing kpt #: 297 total cpu time spent up to now is 103.8 secs Computing kpt #: 298 total cpu time spent up to now is 104.2 secs Computing kpt #: 299 total cpu time spent up to now is 104.5 secs Computing kpt #: 300 total cpu time spent up to now is 104.9 secs Computing kpt #: 301 total cpu time spent up to now is 105.2 secs Computing kpt #: 302 total cpu time spent up to now is 105.5 secs Computing kpt #: 303 total cpu time spent up to now is 105.8 secs Computing kpt #: 304 total cpu time spent up to now is 106.2 secs Computing kpt #: 305 total cpu time spent up to now is 106.5 secs Computing kpt #: 306 total cpu time spent up to now is 106.8 secs Computing kpt #: 307 total cpu time spent up to now is 107.1 secs Computing kpt #: 308 total cpu time spent up to now is 107.5 secs Computing kpt #: 309 total cpu time spent up to now is 107.8 secs Computing kpt #: 310 total cpu time spent up to now is 108.1 secs Computing kpt #: 311 total cpu time spent up to now is 108.4 secs Computing kpt #: 312 total cpu time spent up to now is 108.8 secs Computing kpt #: 313 total cpu time spent up to now is 109.1 secs Computing kpt #: 314 total cpu time spent up to now is 109.4 secs Computing kpt #: 315 total cpu time spent up to now is 109.8 secs Computing kpt #: 316 total cpu time spent up to now is 110.1 secs Computing kpt #: 317 total cpu time spent up to now is 110.5 secs Computing kpt #: 318 total cpu time spent up to now is 110.9 secs Computing kpt #: 319 total cpu time spent up to now is 111.3 secs Computing kpt #: 320 total cpu time spent up to now is 111.7 secs Computing kpt #: 321 total cpu time spent up to now is 112.0 secs Computing kpt #: 322 total cpu time spent up to now is 112.4 secs Computing kpt #: 323 total cpu time spent up to now is 112.7 secs Computing kpt #: 324 total cpu time spent up to now is 113.0 secs Computing kpt #: 325 total cpu time spent up to now is 113.3 secs Computing kpt #: 326 total cpu time spent up to now is 113.7 secs Computing kpt #: 327 total cpu time spent up to now is 114.0 secs Computing kpt #: 328 total cpu time spent up to now is 114.3 secs Computing kpt #: 329 total cpu time spent up to now is 114.6 secs Computing kpt #: 330 total cpu time spent up to now is 114.9 secs Computing kpt #: 331 total cpu time spent up to now is 115.2 secs Computing kpt #: 332 total cpu time spent up to now is 115.6 secs Computing kpt #: 333 total cpu time spent up to now is 115.9 secs Computing kpt #: 334 total cpu time spent up to now is 116.2 secs Computing kpt #: 335 total cpu time spent up to now is 116.6 secs Computing kpt #: 336 total cpu time spent up to now is 116.9 secs Computing kpt #: 337 total cpu time spent up to now is 117.2 secs Computing kpt #: 338 total cpu time spent up to now is 117.5 secs Computing kpt #: 339 total cpu time spent up to now is 117.9 secs Computing kpt #: 340 total cpu time spent up to now is 118.2 secs Computing kpt #: 341 total cpu time spent up to now is 118.5 secs Computing kpt #: 342 total cpu time spent up to now is 118.8 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 119.8 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 120.5 secs Computing kpt #: 348 total cpu time spent up to now is 120.8 secs Computing kpt #: 349 total cpu time spent up to now is 121.1 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 122.8 secs Computing kpt #: 355 total cpu time spent up to now is 123.1 secs Computing kpt #: 356 total cpu time spent up to now is 123.4 secs Computing kpt #: 357 total cpu time spent up to now is 123.7 secs Computing kpt #: 358 total cpu time spent up to now is 124.1 secs Computing kpt #: 359 total cpu time spent up to now is 124.4 secs Computing kpt #: 360 total cpu time spent up to now is 124.8 secs Computing kpt #: 361 total cpu time spent up to now is 125.2 secs Computing kpt #: 362 total cpu time spent up to now is 125.5 secs Computing kpt #: 363 total cpu time spent up to now is 125.9 secs Computing kpt #: 364 total cpu time spent up to now is 126.2 secs Computing kpt #: 365 total cpu time spent up to now is 126.6 secs Computing kpt #: 366 total cpu time spent up to now is 126.9 secs Computing kpt #: 367 total cpu time spent up to now is 127.3 secs Computing kpt #: 368 total cpu time spent up to now is 127.6 secs Computing kpt #: 369 total cpu time spent up to now is 128.0 secs Computing kpt #: 370 total cpu time spent up to now is 128.4 secs Computing kpt #: 371 total cpu time spent up to now is 128.7 secs Computing kpt #: 372 total cpu time spent up to now is 129.0 secs Computing kpt #: 373 total cpu time spent up to now is 129.4 secs Computing kpt #: 374 total cpu time spent up to now is 129.7 secs Computing kpt #: 375 total cpu time spent up to now is 130.0 secs Computing kpt #: 376 total cpu time spent up to now is 130.3 secs Computing kpt #: 377 total cpu time spent up to now is 130.6 secs Computing kpt #: 378 total cpu time spent up to now is 130.9 secs Computing kpt #: 379 total cpu time spent up to now is 131.2 secs Computing kpt #: 380 total cpu time spent up to now is 131.5 secs Computing kpt #: 381 total cpu time spent up to now is 131.8 secs Computing kpt #: 382 total cpu time spent up to now is 132.1 secs Computing kpt #: 383 total cpu time spent up to now is 132.4 secs Computing kpt #: 384 total cpu time spent up to now is 132.8 secs Computing kpt #: 385 total cpu time spent up to now is 133.1 secs Computing kpt #: 386 total cpu time spent up to now is 133.4 secs Computing kpt #: 387 total cpu time spent up to now is 133.7 secs Computing kpt #: 388 total cpu time spent up to now is 134.0 secs Computing kpt #: 389 total cpu time spent up to now is 134.4 secs Computing kpt #: 390 total cpu time spent up to now is 134.7 secs Computing kpt #: 391 total cpu time spent up to now is 135.0 secs Computing kpt #: 392 total cpu time spent up to now is 135.4 secs Computing kpt #: 393 total cpu time spent up to now is 135.7 secs Computing kpt #: 394 total cpu time spent up to now is 136.0 secs Computing kpt #: 395 total cpu time spent up to now is 136.3 secs Computing kpt #: 396 total cpu time spent up to now is 136.7 secs Computing kpt #: 397 total cpu time spent up to now is 137.0 secs Computing kpt #: 398 total cpu time spent up to now is 137.4 secs Computing kpt #: 399 total cpu time spent up to now is 137.7 secs Computing kpt #: 400 total cpu time spent up to now is 138.0 secs Computing kpt #: 401 total cpu time spent up to now is 138.4 secs Computing kpt #: 402 total cpu time spent up to now is 138.8 secs Computing kpt #: 403 total cpu time spent up to now is 139.1 secs Computing kpt #: 404 total cpu time spent up to now is 139.5 secs Computing kpt #: 405 total cpu time spent up to now is 140.0 secs Computing kpt #: 406 total cpu time spent up to now is 140.3 secs Computing kpt #: 407 total cpu time spent up to now is 140.6 secs Computing kpt #: 408 total cpu time spent up to now is 141.0 secs Computing kpt #: 409 total cpu time spent up to now is 141.3 secs Computing kpt #: 410 total cpu time spent up to now is 141.6 secs Computing kpt #: 411 total cpu time spent up to now is 142.0 secs Computing kpt #: 412 total cpu time spent up to now is 142.3 secs Computing kpt #: 413 total cpu time spent up to now is 142.6 secs Computing kpt #: 414 total cpu time spent up to now is 142.9 secs Computing kpt #: 415 total cpu time spent up to now is 143.2 secs Computing kpt #: 416 total cpu time spent up to now is 143.6 secs Computing kpt #: 417 total cpu time spent up to now is 144.0 secs Computing kpt #: 418 total cpu time spent up to now is 144.3 secs Computing kpt #: 419 total cpu time spent up to now is 144.6 secs Computing kpt #: 420 total cpu time spent up to now is 144.9 secs Computing kpt #: 421 total cpu time spent up to now is 145.2 secs Computing kpt #: 422 total cpu time spent up to now is 145.6 secs Computing kpt #: 423 total cpu time spent up to now is 145.9 secs Computing kpt #: 424 total cpu time spent up to now is 146.2 secs Computing kpt #: 425 total cpu time spent up to now is 146.5 secs Computing kpt #: 426 total cpu time spent up to now is 146.8 secs Computing kpt #: 427 total cpu time spent up to now is 147.2 secs Computing kpt #: 428 total cpu time spent up to now is 147.5 secs ethr = 3.57E-08, avg # of iterations = 17.7 total cpu time spent up to now is 147.5 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3159 PWs) bands (ev): -16.9198 -16.9198 -16.4624 -16.4624 -6.9614 -6.9614 -6.4486 -6.4486 -6.2196 -6.2196 -6.1541 -6.1541 -5.9373 -5.9373 -5.8329 -5.8329 -3.6908 -3.6908 -2.0346 -2.0346 -1.2763 -1.2763 -1.2395 -1.2395 0.1264 0.1264 0.3364 0.3364 7.9028 7.9028 8.0812 8.0812 8.5240 8.5240 9.0680 9.0680 k = 0.0091 0.0094-0.0000 ( 3159 PWs) bands (ev): -16.9195 -16.9195 -16.4624 -16.4624 -6.9608 -6.9607 -6.4596 -6.4595 -6.2202 -6.2201 -6.1493 -6.1477 -5.9337 -5.9320 -5.8329 -5.8328 -3.6904 -3.6903 -2.0342 -2.0341 -1.2771 -1.2771 -1.2395 -1.2394 0.1263 0.1264 0.3360 0.3360 7.9042 7.9043 8.0759 8.0759 8.5265 8.5265 9.0744 9.0744 k = 0.0182 0.0189-0.0000 ( 3159 PWs) bands (ev): -16.9187 -16.9187 -16.4625 -16.4625 -6.9589 -6.9588 -6.4893 -6.4892 -6.2220 -6.2217 -6.1367 -6.1338 -5.9208 -5.9175 -5.8327 -5.8325 -3.6892 -3.6889 -2.0327 -2.0324 -1.2795 -1.2794 -1.2392 -1.2392 0.1260 0.1261 0.3348 0.3349 7.9087 7.9088 8.0603 8.0603 8.5338 8.5339 9.0931 9.0932 k = 0.0272 0.0283-0.0000 ( 3155 PWs) bands (ev): -16.9175 -16.9175 -16.4626 -16.4626 -6.9558 -6.9556 -6.5314 -6.5314 -6.2249 -6.2244 -6.1231 -6.1192 -5.8981 -5.8936 -5.8325 -5.8321 -3.6871 -3.6866 -2.0302 -2.0298 -1.2834 -1.2833 -1.2387 -1.2387 0.1254 0.1256 0.3329 0.3330 7.9161 7.9163 8.0358 8.0358 8.5460 8.5461 9.1226 9.1227 k = 0.0363 0.0378-0.0000 ( 3147 PWs) bands (ev): -16.9157 -16.9157 -16.4627 -16.4627 -6.9514 -6.9511 -6.5810 -6.5809 -6.2288 -6.2282 -6.1127 -6.1083 -5.8666 -5.8611 -5.8323 -5.8315 -3.6840 -3.6833 -2.0268 -2.0263 -1.2887 -1.2886 -1.2380 -1.2379 0.1246 0.1249 0.3302 0.3303 7.9268 7.9270 8.0041 8.0042 8.5630 8.5630 9.1607 9.1609 k = 0.0454 0.0472-0.0000 ( 3131 PWs) bands (ev): -16.9134 -16.9134 -16.4629 -16.4629 -6.9457 -6.9454 -6.6347 -6.6345 -6.2336 -6.2328 -6.1067 -6.1022 -5.8343 -5.8320 -5.8249 -5.8221 -3.6796 -3.6787 -2.0225 -2.0220 -1.2954 -1.2953 -1.2371 -1.2370 0.1235 0.1239 0.3268 0.3269 7.9406 7.9409 7.9672 7.9672 8.5844 8.5845 9.2051 9.2052 k = 0.0545 0.0566-0.0000 ( 3133 PWs) bands (ev): -16.9107 -16.9107 -16.4632 -16.4632 -6.9389 -6.9385 -6.6908 -6.6906 -6.2392 -6.2383 -6.1048 -6.1004 -5.8318 -5.8318 -5.7843 -5.7791 -3.6738 -3.6728 -2.0178 -2.0171 -1.3033 -1.3031 -1.2359 -1.2358 0.1220 0.1224 0.3225 0.3227 7.9265 7.9266 7.9577 7.9581 8.6102 8.6102 9.2531 9.2533 k = 0.0635 0.0661-0.0000 ( 3131 PWs) bands (ev): -16.9074 -16.9074 -16.4635 -16.4635 -6.9308 -6.9303 -6.7481 -6.7477 -6.2456 -6.2445 -6.1062 -6.1019 -5.8317 -5.8316 -5.7399 -5.7344 -3.6664 -3.6652 -2.0125 -2.0117 -1.3121 -1.3119 -1.2345 -1.2344 0.1201 0.1205 0.3175 0.3176 7.8836 7.8837 7.9782 7.9787 8.6401 8.6401 9.3023 9.3025 k = 0.0726 0.0755-0.0000 ( 3121 PWs) bands (ev): -16.9037 -16.9037 -16.4638 -16.4638 -6.9216 -6.9210 -6.8057 -6.8054 -6.2525 -6.2514 -6.1100 -6.1060 -5.8319 -5.8316 -5.6952 -5.6896 -3.6571 -3.6557 -2.0070 -2.0061 -1.3218 -1.3215 -1.2327 -1.2326 0.1177 0.1182 0.3117 0.3119 7.8397 7.8398 8.0023 8.0028 8.6739 8.6739 9.3504 9.3505 k = 0.0817 0.0850-0.0000 ( 3125 PWs) bands (ev): -16.8996 -16.8996 -16.4643 -16.4643 -6.9112 -6.9105 -6.8632 -6.8628 -6.2600 -6.2586 -6.1160 -6.1121 -5.8323 -5.8320 -5.6516 -5.6460 -3.6456 -3.6440 -2.0016 -2.0005 -1.3320 -1.3317 -1.2307 -1.2306 0.1146 0.1152 0.3051 0.3053 7.7956 7.7957 8.0300 8.0305 8.7112 8.7112 9.3946 9.3948 k = 0.0908 0.0944-0.0000 ( 3125 PWs) bands (ev): -16.8950 -16.8950 -16.4647 -16.4647 -6.9204 -6.9199 -6.8994 -6.8987 -6.2677 -6.2663 -6.1237 -6.1199 -5.8331 -5.8327 -5.6102 -5.6045 -3.6317 -3.6299 -1.9964 -1.9953 -1.3425 -1.3422 -1.2282 -1.2281 0.1109 0.1115 0.2977 0.2980 7.7522 7.7523 8.0614 8.0620 8.7518 8.7518 9.4326 9.4327 k = 0.0998 0.1039-0.0000 ( 3129 PWs) bands (ev): -16.8900 -16.8900 -16.4652 -16.4652 -6.9766 -6.9761 -6.8868 -6.8860 -6.2757 -6.2741 -6.1329 -6.1292 -5.8342 -5.8338 -5.5717 -5.5659 -3.6151 -3.6130 -1.9919 -1.9906 -1.3531 -1.3527 -1.2253 -1.2252 0.1064 0.1071 0.2896 0.2899 7.7099 7.7101 8.0966 8.0973 8.7953 8.7954 9.4620 9.4620 k = 0.1089 0.1133-0.0000 ( 3127 PWs) bands (ev): -16.8845 -16.8845 -16.4658 -16.4658 -7.0318 -7.0313 -6.8730 -6.8721 -6.2838 -6.2820 -6.1434 -6.1399 -5.8357 -5.8352 -5.5367 -5.5308 -3.5955 -3.5933 -1.9883 -1.9869 -1.3634 -1.3629 -1.2218 -1.2217 0.1011 0.1018 0.2809 0.2812 7.6694 7.6696 8.1357 8.1364 8.8416 8.8416 9.4808 9.4808 k = 0.1180 0.1227-0.0000 ( 3131 PWs) bands (ev): -16.8787 -16.8787 -16.4664 -16.4664 -7.0858 -7.0853 -6.8582 -6.8571 -6.2918 -6.2899 -6.1553 -6.1518 -5.8377 -5.8372 -5.5057 -5.4997 -3.5729 -3.5705 -1.9859 -1.9844 -1.3732 -1.3727 -1.2178 -1.2177 0.0949 0.0956 0.2714 0.2717 7.6311 7.6312 8.1787 8.1794 8.8901 8.8902 9.4879 9.4880 k = 0.1271 0.1322-0.0000 ( 3131 PWs) bands (ev): -16.8725 -16.8725 -16.4671 -16.4671 -7.1384 -7.1380 -6.8423 -6.8412 -6.2996 -6.2977 -6.1684 -6.1649 -5.8401 -5.8396 -5.4789 -5.4728 -3.5472 -3.5446 -1.9851 -1.9835 -1.3822 -1.3816 -1.2132 -1.2131 0.0877 0.0885 0.2612 0.2616 7.5952 7.5954 8.2255 8.2262 8.9407 8.9408 9.4835 9.4837 k = 0.1361 0.1416-0.0000 ( 3129 PWs) bands (ev): -16.8659 -16.8659 -16.4677 -16.4677 -7.1896 -7.1891 -6.8255 -6.8242 -6.3073 -6.3052 -6.1826 -6.1792 -5.8429 -5.8425 -5.4567 -5.4505 -3.5182 -3.5155 -1.9862 -1.9845 -1.3901 -1.3895 -1.2077 -1.2077 0.0795 0.0803 0.2505 0.2509 7.5622 7.5624 8.2763 8.2770 8.9929 8.9931 9.4688 9.4690 k = 0.1452 0.1511-0.0000 ( 3129 PWs) bands (ev): -16.8590 -16.8590 -16.4685 -16.4685 -7.2391 -7.2387 -6.8077 -6.8063 -6.3146 -6.3124 -6.1979 -6.1945 -5.8463 -5.8459 -5.4391 -5.4329 -3.4862 -3.4833 -1.9894 -1.9876 -1.3968 -1.3962 -1.2014 -1.2014 0.0702 0.0710 0.2393 0.2397 7.5323 7.5325 8.3308 8.3315 9.0463 9.0466 9.4456 9.4459 k = 0.1543 0.1605-0.0000 ( 3127 PWs) bands (ev): -16.8518 -16.8518 -16.4692 -16.4692 -7.2869 -7.2865 -6.7891 -6.7875 -6.3214 -6.3191 -6.2144 -6.2110 -5.8502 -5.8498 -5.4262 -5.4198 -3.4513 -3.4483 -1.9948 -1.9930 -1.4022 -1.4016 -1.1941 -1.1941 0.0597 0.0605 0.2277 0.2281 7.5057 7.5059 8.3891 8.3898 9.1006 9.1009 9.4162 9.4165 k = 0.1634 0.1699-0.0000 ( 3131 PWs) bands (ev): -16.8443 -16.8443 -16.4701 -16.4700 -7.3329 -7.3325 -6.7696 -6.7679 -6.3277 -6.3253 -6.2319 -6.2286 -5.8546 -5.8542 -5.4177 -5.4114 -3.4137 -3.4106 -2.0027 -2.0008 -1.4063 -1.4056 -1.1858 -1.1858 0.0481 0.0489 0.2156 0.2161 7.4827 7.4830 8.4509 8.4517 9.1551 9.1556 9.3825 9.3828 k = 0.1724 0.1794-0.0000 ( 3137 PWs) bands (ev): -16.8365 -16.8365 -16.4709 -16.4709 -7.3770 -7.3766 -6.7493 -6.7475 -6.3335 -6.3308 -6.2505 -6.2472 -5.8593 -5.8590 -5.4137 -5.4073 -3.3739 -3.3707 -2.0129 -2.0109 -1.4090 -1.4083 -1.1763 -1.1762 0.0352 0.0360 0.2033 0.2038 7.4636 7.4639 8.5163 8.5170 9.2093 9.2099 9.3462 9.3465 k = 0.1815 0.1888-0.0000 ( 3138 PWs) bands (ev): -16.8285 -16.8285 -16.4718 -16.4718 -7.4192 -7.4188 -6.7283 -6.7263 -6.3385 -6.3358 -6.2702 -6.2668 -5.8645 -5.8642 -5.4137 -5.4074 -3.3323 -3.3290 -2.0254 -2.0235 -1.4106 -1.4099 -1.1654 -1.1652 0.0211 0.0220 0.1908 0.1913 7.4485 7.4488 8.5849 8.5856 9.2619 9.2627 9.3086 9.3089 k = 0.1906 0.1983-0.0000 ( 3140 PWs) bands (ev): -16.8203 -16.8203 -16.4728 -16.4727 -7.4593 -7.4589 -6.7067 -6.7045 -6.3429 -6.3400 -6.2909 -6.2876 -5.8701 -5.8698 -5.4176 -5.4112 -3.2892 -3.2859 -2.0402 -2.0382 -1.4111 -1.4104 -1.1529 -1.1527 0.0058 0.0067 0.1782 0.1787 7.4376 7.4379 8.6566 8.6573 9.2707 9.2711 9.3106 9.3116 k = 0.1997 0.2077-0.0000 ( 3144 PWs) bands (ev): -16.8119 -16.8119 -16.4737 -16.4737 -7.4974 -7.4970 -6.6845 -6.6822 -6.3465 -6.3435 -6.3126 -6.3093 -5.8760 -5.8758 -5.4249 -5.4186 -3.2453 -3.2419 -2.0570 -2.0550 -1.4109 -1.4102 -1.1387 -1.1385 -0.0107 -0.0098 0.1657 0.1662 7.4311 7.4315 8.7310 8.7316 9.2336 9.2339 9.3468 9.3480 k = 0.2087 0.2172-0.0000 ( 3142 PWs) bands (ev): -16.8033 -16.8033 -16.4747 -16.4747 -7.5333 -7.5329 -6.6619 -6.6593 -6.3495 -6.3465 -6.3350 -6.3319 -5.8822 -5.8820 -5.4354 -5.4291 -3.2011 -3.1977 -2.0756 -2.0737 -1.4101 -1.4095 -1.1227 -1.1224 -0.0284 -0.0276 0.1532 0.1538 7.4292 7.4296 8.8077 8.8082 9.1975 9.1979 9.3468 9.3475 k = 0.2178 0.2266-0.0000 ( 3150 PWs) bands (ev): -16.7946 -16.7946 -16.4758 -16.4758 -7.5670 -7.5667 -6.6388 -6.6360 -6.3604 -6.3576 -6.3497 -6.3468 -5.8886 -5.8885 -5.4486 -5.4424 -3.1571 -3.1537 -2.0959 -2.0939 -1.4090 -1.4085 -1.1046 -1.1043 -0.0474 -0.0465 0.1409 0.1415 7.4320 7.4323 8.8859 8.8863 9.1631 9.1634 9.3078 9.3078 k = 0.2269 0.2360-0.0000 ( 3150 PWs) bands (ev): -16.7857 -16.7857 -16.4769 -16.4768 -7.5985 -7.5982 -6.6154 -6.6124 -6.3850 -6.3817 -6.3516 -6.3480 -5.8953 -5.8952 -5.4642 -5.4581 -3.1138 -3.1104 -2.1174 -2.1155 -1.4079 -1.4074 -1.0843 -1.0839 -0.0675 -0.0666 0.1290 0.1296 7.4395 7.4399 8.9639 8.9639 9.1307 9.1310 9.2583 9.2585 k = 0.2360 0.2455-0.0000 ( 3150 PWs) bands (ev): -16.7768 -16.7768 -16.4779 -16.4779 -7.6278 -7.6275 -6.5919 -6.5885 -6.4110 -6.4077 -6.3517 -6.3480 -5.9021 -5.9020 -5.4819 -5.4759 -3.0718 -3.0684 -2.1401 -2.1382 -1.4070 -1.4066 -1.0616 -1.0612 -0.0887 -0.0878 0.1174 0.1180 7.4520 7.4524 9.0347 9.0356 9.1005 9.1007 9.2154 9.2159 k = 0.2450 0.2549-0.0000 ( 3150 PWs) bands (ev): -16.7679 -16.7678 -16.4790 -16.4790 -7.6548 -7.6545 -6.5682 -6.5646 -6.4381 -6.4348 -6.3509 -6.3469 -5.9090 -5.9089 -5.5013 -5.4954 -3.0315 -3.0281 -2.1637 -2.1619 -1.4066 -1.4061 -1.0364 -1.0359 -0.1109 -0.1101 0.1063 0.1069 7.4694 7.4699 9.0707 9.0726 9.0740 9.0744 9.2078 9.2097 k = 0.2541 0.2644-0.0000 ( 3136 PWs) bands (ev): -16.7589 -16.7589 -16.4801 -16.4801 -7.6794 -7.6792 -6.5445 -6.5406 -6.4662 -6.4630 -6.3491 -6.3449 -5.9160 -5.9157 -5.5220 -5.5162 -2.9932 -2.9899 -2.1880 -2.1862 -1.4066 -1.4062 -1.0086 -1.0081 -0.1342 -0.1334 0.0956 0.0963 7.4919 7.4924 9.0468 9.0472 9.0518 9.0539 9.2624 9.2643 k = 0.2632 0.2738-0.0000 ( 3130 PWs) bands (ev): -16.7499 -16.7499 -16.4813 -16.4812 -7.7017 -7.7015 -6.5212 -6.5168 -6.4953 -6.4923 -6.3462 -6.3419 -5.9229 -5.9225 -5.5438 -5.5381 -2.9574 -2.9541 -2.2128 -2.2110 -1.4072 -1.4069 -0.9782 -0.9777 -0.1584 -0.1576 0.0856 0.0863 7.5195 7.5199 9.0090 9.0118 9.0245 9.0249 9.3414 9.3430 k = 0.2723 0.2832-0.0000 ( 3130 PWs) bands (ev): -16.7410 -16.7410 -16.4824 -16.4824 -7.7217 -7.7215 -6.5261 -6.5227 -6.4976 -6.4933 -6.3424 -6.3379 -5.9296 -5.9291 -5.5664 -5.5609 -2.9243 -2.9210 -2.2380 -2.2363 -1.4087 -1.4084 -0.9451 -0.9446 -0.1835 -0.1827 0.0762 0.0769 7.5520 7.5524 8.9636 8.9661 9.0043 9.0046 9.4263 9.4277 k = 0.2813 0.2927-0.0000 ( 3128 PWs) bands (ev): -16.7321 -16.7321 -16.4835 -16.4835 -7.7394 -7.7392 -6.5573 -6.5541 -6.4750 -6.4703 -6.3375 -6.3328 -5.9362 -5.9355 -5.5895 -5.5841 -2.8941 -2.8909 -2.2633 -2.2616 -1.4109 -1.4107 -0.9095 -0.9089 -0.2095 -0.2087 0.0675 0.0682 7.5894 7.5899 8.9182 8.9207 8.9869 8.9871 9.5131 9.5144 k = 0.2904 0.3021-0.0000 ( 3120 PWs) bands (ev): -16.7234 -16.7234 -16.4847 -16.4847 -7.7546 -7.7544 -6.5897 -6.5865 -6.4531 -6.4481 -6.3315 -6.3268 -5.9425 -5.9416 -5.6128 -5.6076 -2.8668 -2.8637 -2.2887 -2.2871 -1.4139 -1.4137 -0.8715 -0.8709 -0.2360 -0.2353 0.0595 0.0602 7.6318 7.6322 8.8739 8.8763 8.9722 8.9723 9.6003 9.6014 k = 0.2995 0.3116-0.0000 ( 3118 PWs) bands (ev): -16.7147 -16.7147 -16.4858 -16.4858 -7.7675 -7.7674 -6.6230 -6.6200 -6.4320 -6.4269 -6.3242 -6.3196 -5.9484 -5.9473 -5.6362 -5.6312 -2.8427 -2.8397 -2.3140 -2.3124 -1.4178 -1.4176 -0.8312 -0.8306 -0.2632 -0.2625 0.0522 0.0529 7.6788 7.6793 8.8311 8.8334 8.9602 8.9603 9.6869 9.6878 k = 0.3086 0.3210-0.0000 ( 3120 PWs) bands (ev): -16.7063 -16.7062 -16.4869 -16.4869 -7.7781 -7.7779 -6.6573 -6.6544 -6.4121 -6.4070 -6.3157 -6.3114 -5.9539 -5.9526 -5.6595 -5.6546 -2.8216 -2.8187 -2.3391 -2.3375 -1.4224 -1.4222 -0.7889 -0.7884 -0.2910 -0.2903 0.0456 0.0463 7.7304 7.7308 8.7897 8.7920 8.9510 8.9511 9.7721 9.7727 k = 0.3176 0.3304-0.0000 ( 3124 PWs) bands (ev): -16.6980 -16.6980 -16.4880 -16.4880 -7.7863 -7.7862 -6.6926 -6.6897 -6.3934 -6.3886 -6.3058 -6.3020 -5.9589 -5.9573 -5.6824 -5.6778 -2.8035 -2.8007 -2.3638 -2.3623 -1.4277 -1.4276 -0.7449 -0.7444 -0.3191 -0.3184 0.0397 0.0405 7.7861 7.7865 8.7499 8.7522 8.9447 8.9447 9.8542 9.8544 k = 0.3267 0.3399-0.0000 ( 3124 PWs) bands (ev): -16.6899 -16.6899 -16.4892 -16.4892 -7.7921 -7.7920 -6.7286 -6.7259 -6.3763 -6.3721 -6.2945 -6.2915 -5.9632 -5.9613 -5.7048 -5.7004 -2.7881 -2.7855 -2.3881 -2.3866 -1.4335 -1.4335 -0.6995 -0.6990 -0.3474 -0.3467 0.0345 0.0353 7.8457 7.8461 8.7116 8.7139 8.9413 8.9413 9.9100 9.9112 k = 0.3358 0.3493-0.0000 ( 3116 PWs) bands (ev): -16.6820 -16.6820 -16.4902 -16.4902 -7.7956 -7.7956 -6.7655 -6.7628 -6.3608 -6.3573 -6.2819 -6.2801 -5.9668 -5.9646 -5.7266 -5.7224 -2.7754 -2.7729 -2.4118 -2.4104 -1.4399 -1.4399 -0.6531 -0.6527 -0.3758 -0.3751 0.0300 0.0308 7.9087 7.9091 8.6749 8.6771 8.9410 8.9410 9.9267 9.9269 k = 0.3449 0.3588-0.0000 ( 3112 PWs) bands (ev): -16.6745 -16.6744 -16.4913 -16.4913 -7.7968 -7.7968 -6.8029 -6.8004 -6.3468 -6.3443 -6.2685 -6.2679 -5.9696 -5.9671 -5.7476 -5.7436 -2.7652 -2.7627 -2.4349 -2.4336 -1.4467 -1.4467 -0.6060 -0.6057 -0.4042 -0.4035 0.0262 0.0270 7.9746 7.9750 8.6397 8.6418 8.9440 8.9441 9.9370 9.9374 k = 0.3539 0.3682-0.0000 ( 3116 PWs) bands (ev): -16.6672 -16.6672 -16.4923 -16.4923 -7.7958 -7.7958 -6.8410 -6.8386 -6.3343 -6.3329 -6.2553 -6.2545 -5.9715 -5.9687 -5.7678 -5.7640 -2.7571 -2.7548 -2.4573 -2.4560 -1.4538 -1.4538 -0.5588 -0.5585 -0.4324 -0.4318 0.0230 0.0238 8.0427 8.0430 8.6059 8.6080 8.9507 8.9509 9.9441 9.9448 k = 0.3630 0.3777-0.0000 ( 3120 PWs) bands (ev): -16.6602 -16.6602 -16.4933 -16.4933 -7.7926 -7.7925 -6.8796 -6.8773 -6.3232 -6.3227 -6.2427 -6.2406 -5.9726 -5.9694 -5.7870 -5.7835 -2.7510 -2.7488 -2.4788 -2.4776 -1.4611 -1.4610 -0.5119 -0.5116 -0.4602 -0.4596 0.0203 0.0212 8.1120 8.1123 8.5736 8.5756 8.9616 8.9617 9.9488 9.9495 k = 0.3721 0.3871-0.0000 ( 3118 PWs) bands (ev): -16.6535 -16.6535 -16.4943 -16.4943 -7.7872 -7.7871 -6.9185 -6.9163 -6.3135 -6.3133 -6.2302 -6.2269 -5.9727 -5.9692 -5.8052 -5.8019 -2.7465 -2.7445 -2.4994 -2.4983 -1.4684 -1.4683 -0.4876 -0.4870 -0.4655 -0.4654 0.0182 0.0191 8.1816 8.1819 8.5427 8.5447 8.9772 8.9774 9.9512 9.9520 k = 0.3812 0.3965-0.0000 ( 3116 PWs) bands (ev): -16.6472 -16.6472 -16.4952 -16.4952 -7.7796 -7.7795 -6.9577 -6.9556 -6.3053 -6.3044 -6.2182 -6.2140 -5.9719 -5.9681 -5.8223 -5.8192 -2.7435 -2.7416 -2.5190 -2.5179 -1.4756 -1.4756 -0.5142 -0.5136 -0.4203 -0.4203 0.0166 0.0175 8.2500 8.2503 8.5135 8.5153 8.9985 8.9987 9.9518 9.9526 k = 0.3902 0.4060-0.0000 ( 3116 PWs) bands (ev): -16.6413 -16.6413 -16.4960 -16.4960 -7.7700 -7.7698 -6.9970 -6.9950 -6.2979 -6.2965 -6.2069 -6.2019 -5.9702 -5.9662 -5.8382 -5.8354 -2.7417 -2.7400 -2.5376 -2.5366 -1.4827 -1.4826 -0.5399 -0.5394 -0.3768 -0.3767 0.0156 0.0165 8.3159 8.3161 8.4858 8.4875 9.0263 9.0266 9.9510 9.9517 k = 0.3993 0.4154-0.0000 ( 3106 PWs) bands (ev): -16.6358 -16.6357 -16.4968 -16.4968 -7.7583 -7.7582 -7.0362 -7.0343 -6.2913 -6.2895 -6.1962 -6.1908 -5.9677 -5.9635 -5.8530 -5.8504 -2.7409 -2.7394 -2.5550 -2.5540 -1.4894 -1.4893 -0.5646 -0.5641 -0.3352 -0.3351 0.0150 0.0160 8.3775 8.3776 8.4598 8.4614 9.0618 9.0622 9.9489 9.9497 k = 0.4084 0.4249-0.0000 ( 3100 PWs) bands (ev): -16.6306 -16.6306 -16.4976 -16.4976 -7.7448 -7.7446 -7.0752 -7.0734 -6.2854 -6.2834 -6.1864 -6.1806 -5.9645 -5.9604 -5.8665 -5.8642 -2.7409 -2.7395 -2.5711 -2.5703 -1.4958 -1.4957 -0.5879 -0.5875 -0.2960 -0.2958 0.0149 0.0158 8.4324 8.4332 8.4365 8.4371 9.1059 9.1064 9.9460 9.9468 k = 0.4175 0.4343-0.0000 ( 3102 PWs) bands (ev): -16.6260 -16.6259 -16.4983 -16.4983 -7.7296 -7.7293 -7.1138 -7.1121 -6.2803 -6.2782 -6.1773 -6.1715 -5.9609 -5.9568 -5.8788 -5.8767 -2.7415 -2.7402 -2.5860 -2.5852 -1.5018 -1.5017 -0.6099 -0.6094 -0.2596 -0.2593 0.0151 0.0161 8.4129 8.4143 8.4823 8.4825 9.1592 9.1598 9.9425 9.9432 k = 0.4265 0.4437-0.0000 ( 3106 PWs) bands (ev): -16.6217 -16.6217 -16.4990 -16.4990 -7.7127 -7.7124 -7.1517 -7.1502 -6.2759 -6.2738 -6.1690 -6.1634 -5.9571 -5.9531 -5.8899 -5.8880 -2.7425 -2.7414 -2.5996 -2.5989 -1.5072 -1.5071 -0.6301 -0.6298 -0.2263 -0.2259 0.0158 0.0168 8.3923 8.3936 8.5239 8.5240 9.2214 9.2221 9.9387 9.9393 k = 0.4356 0.4532-0.0000 ( 3106 PWs) bands (ev): -16.6180 -16.6179 -16.4995 -16.4995 -7.6944 -7.6940 -7.1888 -7.1875 -6.2722 -6.2702 -6.1616 -6.1562 -5.9531 -5.9494 -5.8997 -5.8981 -2.7437 -2.7427 -2.6117 -2.6110 -1.5121 -1.5120 -0.6486 -0.6482 -0.1964 -0.1960 0.0168 0.0178 8.3738 8.3750 8.5581 8.5582 9.2918 9.2926 9.9348 9.9354 k = 0.4447 0.4626-0.0000 ( 3110 PWs) bands (ev): -16.6147 -16.6146 -16.5000 -16.5000 -7.6749 -7.6746 -7.2247 -7.2235 -6.2691 -6.2673 -6.1549 -6.1501 -5.9492 -5.9458 -5.9082 -5.9068 -2.7451 -2.7442 -2.6223 -2.6218 -1.5163 -1.5163 -0.6650 -0.6647 -0.1703 -0.1698 0.0182 0.0192 8.3575 8.3585 8.5855 8.5856 9.3688 9.3698 9.9310 9.9315 k = 0.4538 0.4721-0.0000 ( 3106 PWs) bands (ev): -16.6118 -16.6118 -16.5004 -16.5004 -7.6547 -7.6543 -7.2589 -7.2578 -6.2666 -6.2650 -6.1491 -6.1449 -5.9455 -5.9425 -5.9153 -5.9142 -2.7464 -2.7457 -2.6314 -2.6310 -1.5200 -1.5199 -0.6792 -0.6789 -0.1481 -0.1476 0.0200 0.0209 8.3434 8.3442 8.6071 8.6072 9.4510 9.4521 9.9274 9.9279 k = 0.4629 0.4815-0.0000 ( 3106 PWs) bands (ev): -16.6095 -16.6095 -16.5008 -16.5008 -7.6344 -7.6340 -7.2907 -7.2898 -6.2646 -6.2633 -6.1442 -6.1407 -5.9422 -5.9397 -5.9212 -5.9203 -2.7477 -2.7471 -2.6390 -2.6386 -1.5230 -1.5229 -0.6911 -0.6909 -0.1300 -0.1295 0.0219 0.0227 8.3317 8.3324 8.6237 8.6237 9.5362 9.5375 9.9243 9.9247 k = 0.4719 0.4909-0.0000 ( 3106 PWs) bands (ev): -16.6077 -16.6077 -16.5011 -16.5011 -7.6149 -7.6145 -7.3193 -7.3185 -6.2630 -6.2620 -6.1402 -6.1374 -5.9395 -5.9375 -5.9258 -5.9251 -2.7487 -2.7483 -2.6449 -2.6446 -1.5253 -1.5253 -0.7006 -0.7004 -0.1160 -0.1155 0.0238 0.0244 8.3224 8.3230 8.6358 8.6359 9.6226 9.6241 9.9218 9.9221 k = 0.4810 0.5004-0.0000 ( 3106 PWs) bands (ev): -16.6063 -16.6063 -16.5013 -16.5013 -7.5977 -7.5974 -7.3429 -7.3423 -6.2619 -6.2612 -6.1371 -6.1352 -5.9374 -5.9360 -5.9291 -5.9286 -2.7495 -2.7492 -2.6492 -2.6490 -1.5270 -1.5270 -0.7075 -0.7074 -0.1060 -0.1057 0.0255 0.0260 8.3157 8.3161 8.6442 8.6442 9.7077 9.7093 9.9199 9.9201 k = 0.4810 0.5004-0.0000 ( 3106 PWs) bands (ev): -16.6063 -16.6063 -16.5013 -16.5013 -7.5977 -7.5974 -7.3429 -7.3423 -6.2619 -6.2612 -6.1371 -6.1352 -5.9374 -5.9360 -5.9291 -5.9286 -2.7495 -2.7492 -2.6492 -2.6490 -1.5270 -1.5270 -0.7075 -0.7074 -0.1060 -0.1057 0.0255 0.0260 8.3157 8.3161 8.6442 8.6442 9.7077 9.7093 9.9199 9.9201 k = 0.4680 0.5004-0.0000 ( 3104 PWs) bands (ev): -16.6073 -16.6073 -16.5011 -16.5011 -7.6091 -7.6087 -7.3269 -7.3262 -6.2626 -6.2617 -6.1390 -6.1366 -5.9392 -5.9373 -5.9271 -5.9258 -2.7486 -2.7482 -2.6463 -2.6459 -1.5253 -1.5252 -0.7030 -0.7028 -0.1131 -0.1127 0.0241 0.0247 8.3138 8.3148 8.6413 8.6426 9.6487 9.6501 9.9244 9.9250 k = 0.4550 0.5004-0.0000 ( 3104 PWs) bands (ev): -16.6088 -16.6088 -16.5009 -16.5009 -7.6216 -7.6212 -7.3077 -7.3068 -6.2633 -6.2621 -6.1412 -6.1382 -5.9413 -5.9390 -5.9247 -5.9230 -2.7467 -2.7462 -2.6423 -2.6418 -1.5220 -1.5219 -0.6971 -0.6970 -0.1233 -0.1228 0.0219 0.0226 8.3012 8.3028 8.6432 8.6456 9.5871 9.5884 9.9358 9.9369 k = 0.4420 0.5004-0.0000 ( 3100 PWs) bands (ev): -16.6108 -16.6108 -16.5007 -16.5007 -7.6347 -7.6343 -7.2859 -7.2849 -6.2639 -6.2626 -6.1438 -6.1403 -5.9432 -5.9407 -5.9223 -5.9203 -2.7438 -2.7432 -2.6372 -2.6366 -1.5172 -1.5171 -0.6901 -0.6899 -0.1364 -0.1359 0.0189 0.0197 8.2789 8.2810 8.6495 8.6528 9.5243 9.5255 9.9538 9.9552 k = 0.4290 0.5004-0.0000 ( 3096 PWs) bands (ev): -16.6132 -16.6132 -16.5004 -16.5004 -7.6481 -7.6477 -7.2619 -7.2608 -6.2644 -6.2629 -6.1466 -6.1427 -5.9449 -5.9423 -5.9201 -5.9180 -2.7401 -2.7393 -2.6312 -2.6304 -1.5108 -1.5107 -0.6820 -0.6818 -0.1521 -0.1516 0.0148 0.0157 8.2487 8.2509 8.6596 8.6634 9.4610 9.4621 9.9774 9.9793 k = 0.4160 0.5004-0.0000 ( 3098 PWs) bands (ev): -16.6161 -16.6161 -16.5002 -16.5002 -7.6613 -7.6609 -7.2362 -7.2350 -6.2646 -6.2630 -6.1498 -6.1455 -5.9463 -5.9437 -5.9182 -5.9158 -2.7354 -2.7345 -2.6242 -2.6232 -1.5031 -1.5029 -0.6729 -0.6727 -0.1702 -0.1697 0.0097 0.0106 8.2121 8.2144 8.6725 8.6766 9.3978 9.3987 10.0059 10.0080 k = 0.4030 0.5004-0.0000 ( 3100 PWs) bands (ev): -16.6193 -16.6193 -16.4999 -16.4999 -7.6744 -7.6740 -7.2091 -7.2078 -6.2646 -6.2628 -6.1534 -6.1488 -5.9476 -5.9449 -5.9165 -5.9139 -2.7299 -2.7288 -2.6163 -2.6151 -1.4939 -1.4938 -0.6631 -0.6628 -0.1905 -0.1900 0.0035 0.0045 8.1710 8.1731 8.6876 8.6918 9.3351 9.3360 10.0382 10.0406 k = 0.3900 0.5004-0.0000 ( 3105 PWs) bands (ev): -16.6229 -16.6229 -16.4997 -16.4997 -7.6871 -7.6867 -7.1807 -7.1793 -6.2641 -6.2622 -6.1572 -6.1523 -5.9488 -5.9461 -5.9148 -5.9120 -2.7235 -2.7223 -2.6076 -2.6063 -1.4835 -1.4833 -0.6528 -0.6524 -0.2126 -0.2121 -0.0038 -0.0028 8.1267 8.1287 8.7044 8.7086 9.2734 9.2742 10.0733 10.0759 k = 0.3770 0.5004-0.0000 ( 3101 PWs) bands (ev): -16.6267 -16.6267 -16.4996 -16.4996 -7.6994 -7.6990 -7.1513 -7.1498 -6.2632 -6.2612 -6.1613 -6.1562 -5.9500 -5.9472 -5.9132 -5.9100 -2.7164 -2.7150 -2.5982 -2.5967 -1.4718 -1.4716 -0.6421 -0.6418 -0.2362 -0.2357 -0.0121 -0.0111 8.0804 8.0822 8.7227 8.7268 9.2131 9.2138 10.1102 10.1129 k = 0.3640 0.5004-0.0000 ( 3110 PWs) bands (ev): -16.6309 -16.6309 -16.4995 -16.4995 -7.7113 -7.7109 -7.1212 -7.1196 -6.2616 -6.2596 -6.1656 -6.1603 -5.9512 -5.9484 -5.9114 -5.9080 -2.7085 -2.7070 -2.5882 -2.5865 -1.4590 -1.4588 -0.6317 -0.6313 -0.2610 -0.2605 -0.0214 -0.0204 8.0331 8.0348 8.7421 8.7462 9.1546 9.1552 10.1476 10.1505 k = 0.3510 0.5004-0.0000 ( 3114 PWs) bands (ev): -16.6352 -16.6352 -16.4995 -16.4995 -7.7227 -7.7224 -7.0904 -7.0887 -6.2595 -6.2574 -6.1699 -6.1645 -5.9526 -5.9498 -5.9094 -5.9058 -2.7000 -2.6983 -2.5777 -2.5759 -1.4451 -1.4449 -0.6219 -0.6215 -0.2864 -0.2860 -0.0315 -0.0304 7.9858 7.9872 8.7626 8.7666 9.0983 9.0988 10.1845 10.1874 k = 0.3380 0.5004-0.0000 ( 3116 PWs) bands (ev): -16.6397 -16.6397 -16.4995 -16.4995 -7.7338 -7.7334 -7.0592 -7.0574 -6.2568 -6.2546 -6.1741 -6.1686 -5.9543 -5.9513 -5.9072 -5.9034 -2.6908 -2.6890 -2.5669 -2.5648 -1.4304 -1.4301 -0.6135 -0.6131 -0.3119 -0.3115 -0.0421 -0.0411 7.9390 7.9403 8.7836 8.7874 9.0450 9.0455 10.2191 10.2220 k = 0.3250 0.5004-0.0000 ( 3121 PWs) bands (ev): -16.6444 -16.6444 -16.4997 -16.4997 -7.7444 -7.7441 -7.0278 -7.0259 -6.2535 -6.2512 -6.1780 -6.1725 -5.9562 -5.9531 -5.9046 -5.9006 -2.6811 -2.6792 -2.5557 -2.5535 -1.4148 -1.4145 -0.6074 -0.6069 -0.3365 -0.3362 -0.0532 -0.0521 7.8936 7.8948 8.8039 8.8077 8.9961 8.9967 10.2486 10.2516 k = 0.3120 0.5004-0.0000 ( 3121 PWs) bands (ev): -16.6492 -16.6492 -16.4999 -16.4999 -7.7547 -7.7544 -6.9965 -6.9945 -6.2497 -6.2474 -6.1814 -6.1760 -5.9583 -5.9550 -5.9015 -5.8974 -2.6709 -2.6689 -2.5444 -2.5421 -1.3985 -1.3983 -0.6047 -0.6041 -0.3594 -0.3592 -0.0642 -0.0631 7.8500 7.8510 8.8201 8.8240 8.9551 8.9559 10.2683 10.2714 k = 0.2990 0.5004-0.0000 ( 3119 PWs) bands (ev): -16.6540 -16.6540 -16.5002 -16.5002 -7.7646 -7.7643 -6.9653 -6.9632 -6.2455 -6.2432 -6.1840 -6.1787 -5.9606 -5.9572 -5.8980 -5.8939 -2.6603 -2.6582 -2.5332 -2.5307 -1.3817 -1.3815 -0.6067 -0.6061 -0.3794 -0.3792 -0.0749 -0.0738 7.8086 7.8096 8.8228 8.8264 8.9319 8.9331 10.2747 10.2777 k = 0.2860 0.5004-0.0000 ( 3121 PWs) bands (ev): -16.6590 -16.6589 -16.5007 -16.5007 -7.7741 -7.7738 -6.9348 -6.9326 -6.2411 -6.2390 -6.1855 -6.1804 -5.9630 -5.9595 -5.8941 -5.8899 -2.6494 -2.6472 -2.5220 -2.5194 -1.3645 -1.3643 -0.6146 -0.6140 -0.3955 -0.3953 -0.0848 -0.0838 7.7699 7.7708 8.8030 8.8058 8.9359 8.9372 10.2707 10.2734 k = 0.2730 0.5004-0.0000 ( 3123 PWs) bands (ev): -16.6639 -16.6639 -16.5012 -16.5012 -7.7833 -7.7830 -6.9049 -6.9026 -6.2369 -6.2350 -6.1854 -6.1806 -5.9655 -5.9619 -5.8897 -5.8856 -2.6383 -2.6359 -2.5111 -2.5083 -1.3470 -1.3468 -0.6288 -0.6282 -0.4076 -0.4074 -0.0934 -0.0924 7.7343 7.7351 8.7702 8.7723 8.9571 8.9586 10.2616 10.2640 k = 0.2600 0.5004-0.0000 ( 3120 PWs) bands (ev): -16.6688 -16.6688 -16.5017 -16.5017 -7.7921 -7.7918 -6.8761 -6.8737 -6.2331 -6.2317 -6.1834 -6.1792 -5.9678 -5.9641 -5.8849 -5.8808 -2.6270 -2.6245 -2.5006 -2.4977 -1.3294 -1.3291 -0.6488 -0.6482 -0.4163 -0.4162 -0.1003 -0.0994 7.7019 7.7026 8.7342 8.7359 8.9858 8.9874 10.2505 10.2527 k = 0.2470 0.5004-0.0000 ( 3116 PWs) bands (ev): -16.6736 -16.6736 -16.5024 -16.5024 -7.8006 -7.8004 -6.8486 -6.8461 -6.2299 -6.2291 -6.1793 -6.1758 -5.9699 -5.9660 -5.8797 -5.8756 -2.6156 -2.6131 -2.4905 -2.4875 -1.3118 -1.3115 -0.6734 -0.6727 -0.4232 -0.4230 -0.1050 -0.1041 7.6730 7.6737 8.6985 8.7000 9.0184 9.0200 10.2387 10.2406 k = 0.2340 0.5004-0.0000 ( 3114 PWs) bands (ev): -16.6784 -16.6784 -16.5031 -16.5031 -7.8088 -7.8086 -6.8226 -6.8201 -6.2273 -6.2271 -6.1735 -6.1705 -5.9715 -5.9676 -5.8741 -5.8701 -2.6043 -2.6017 -2.4811 -2.4780 -1.2944 -1.2941 -0.7011 -0.7005 -0.4294 -0.4293 -0.1072 -0.1064 7.6478 7.6484 8.6644 8.6657 9.0537 9.0552 10.2268 10.2285 k = 0.2210 0.5004-0.0000 ( 3120 PWs) bands (ev): -16.6831 -16.6831 -16.5038 -16.5038 -7.8167 -7.8165 -6.7984 -6.7959 -6.2254 -6.2252 -6.1663 -6.1639 -5.9725 -5.9685 -5.8681 -5.8642 -2.5932 -2.5904 -2.4724 -2.4691 -1.2774 -1.2772 -0.7307 -0.7301 -0.4363 -0.4363 -0.1068 -0.1060 7.6264 7.6270 8.6322 8.6333 9.0908 9.0923 10.2149 10.2165 k = 0.2080 0.5004-0.0000 ( 3118 PWs) bands (ev): -16.6876 -16.6876 -16.5046 -16.5046 -7.8242 -7.8240 -6.7761 -6.7736 -6.2237 -6.2232 -6.1583 -6.1562 -5.9725 -5.9685 -5.8617 -5.8579 -2.5822 -2.5794 -2.4644 -2.4610 -1.2610 -1.2608 -0.7612 -0.7606 -0.4445 -0.4444 -0.1036 -0.1030 7.6089 7.6094 8.6020 8.6031 9.1295 9.1310 10.2033 10.2047 k = 0.1950 0.5004-0.0000 ( 3120 PWs) bands (ev): -16.6921 -16.6920 -16.5054 -16.5054 -7.8314 -7.8312 -6.7560 -6.7534 -6.2217 -6.2211 -6.1500 -6.1482 -5.9713 -5.9673 -5.8550 -5.8514 -2.5715 -2.5686 -2.4572 -2.4538 -1.2455 -1.2452 -0.7916 -0.7910 -0.4540 -0.4540 -0.0981 -0.0975 7.5953 7.5958 8.5737 8.5747 9.1694 9.1708 10.1918 10.1930 k = 0.1820 0.5004-0.0000 ( 3120 PWs) bands (ev): -16.6963 -16.6963 -16.5062 -16.5062 -7.8383 -7.8381 -6.7379 -6.7354 -6.2194 -6.2187 -6.1420 -6.1404 -5.9687 -5.9648 -5.8480 -5.8445 -2.5612 -2.5582 -2.4509 -2.4475 -1.2310 -1.2307 -0.8212 -0.8207 -0.4650 -0.4649 -0.0906 -0.0901 7.5856 7.5861 8.5473 8.5482 9.2100 9.2113 10.1801 10.1812 k = 0.1690 0.5004-0.0000 ( 3126 PWs) bands (ev): -16.7004 -16.7003 -16.5071 -16.5071 -7.8448 -7.8446 -6.7220 -6.7196 -6.2167 -6.2161 -6.1348 -6.1332 -5.9643 -5.9605 -5.8409 -5.8375 -2.5513 -2.5483 -2.4456 -2.4421 -1.2180 -1.2177 -0.8493 -0.8489 -0.4771 -0.4770 -0.0815 -0.0811 7.5798 7.5803 8.5223 8.5232 9.2509 9.2521 10.1672 10.1682 k = 0.1560 0.5004-0.0000 ( 3124 PWs) bands (ev): -16.7042 -16.7042 -16.5079 -16.5079 -7.8509 -7.8508 -6.7082 -6.7059 -6.2136 -6.2131 -6.1286 -6.1271 -5.9581 -5.9545 -5.8336 -5.8304 -2.5419 -2.5388 -2.4412 -2.4377 -1.2067 -1.2064 -0.8753 -0.8749 -0.4900 -0.4898 -0.0714 -0.0710 7.5777 7.5782 8.4986 8.4993 9.2915 9.2927 10.1496 10.1506 k = 0.1430 0.5004-0.0000 ( 3123 PWs) bands (ev): -16.7078 -16.7078 -16.5087 -16.5087 -7.8566 -7.8565 -6.6964 -6.6942 -6.2103 -6.2099 -6.1238 -6.1222 -5.9501 -5.9467 -5.8263 -5.8232 -2.5330 -2.5299 -2.4377 -2.4342 -1.1976 -1.1972 -0.8985 -0.8981 -0.5033 -0.5031 -0.0606 -0.0603 7.5792 7.5797 8.4758 8.4765 9.3311 9.3323 10.1187 10.1194 k = 0.1300 0.5004-0.0000 ( 3119 PWs) bands (ev): -16.7111 -16.7111 -16.5095 -16.5095 -7.8619 -7.8618 -6.6865 -6.6844 -6.2069 -6.2065 -6.1203 -6.1187 -5.9406 -5.9374 -5.8191 -5.8161 -2.5246 -2.5216 -2.4350 -2.4315 -1.1910 -1.1905 -0.9184 -0.9180 -0.5166 -0.5164 -0.0495 -0.0493 7.5840 7.5845 8.4537 8.4542 9.3692 9.3703 10.0752 10.0759 k = 0.1170 0.5004-0.0000 ( 3114 PWs) bands (ev): -16.7141 -16.7141 -16.5102 -16.5102 -7.8668 -7.8667 -6.6782 -6.6763 -6.2034 -6.2029 -6.1181 -6.1165 -5.9298 -5.9269 -5.8120 -5.8093 -2.5169 -2.5139 -2.4332 -2.4297 -1.1870 -1.1866 -0.9345 -0.9342 -0.5297 -0.5294 -0.0387 -0.0385 7.5918 7.5922 8.4318 8.4323 9.4051 9.4060 10.0288 10.0295 k = 0.1040 0.5004-0.0000 ( 3118 PWs) bands (ev): -16.7169 -16.7169 -16.5109 -16.5109 -7.8712 -7.8711 -6.6714 -6.6698 -6.1999 -6.1994 -6.1170 -6.1154 -5.9184 -5.9157 -5.8053 -5.8027 -2.5098 -2.5068 -2.4321 -2.4288 -1.1859 -1.1854 -0.9467 -0.9464 -0.5423 -0.5420 -0.0282 -0.0281 7.6022 7.6025 8.4102 8.4106 9.4381 9.4389 9.9834 9.9843 k = 0.0910 0.5004-0.0000 ( 3128 PWs) bands (ev): -16.7195 -16.7195 -16.5115 -16.5115 -7.8752 -7.8751 -6.6659 -6.6645 -6.1966 -6.1960 -6.1167 -6.1152 -5.9068 -5.9044 -5.7991 -5.7967 -2.5033 -2.5004 -2.4317 -2.4284 -1.1873 -1.1868 -0.9553 -0.9549 -0.5540 -0.5538 -0.0185 -0.0183 7.6145 7.6149 8.3888 8.3891 9.4680 9.4687 9.9404 9.9414 k = 0.0780 0.5004-0.0000 ( 3132 PWs) bands (ev): -16.7216 -16.7216 -16.5121 -16.5121 -7.8786 -7.8785 -6.6616 -6.6603 -6.1935 -6.1929 -6.1170 -6.1155 -5.8955 -5.8934 -5.7934 -5.7913 -2.4975 -2.4947 -2.4317 -2.4287 -1.1906 -1.1901 -0.9605 -0.9602 -0.5647 -0.5645 -0.0096 -0.0095 7.6283 7.6286 8.3678 8.3681 9.4949 9.4954 9.8997 9.9009 k = 0.0650 0.5004-0.0000 ( 3132 PWs) bands (ev): -16.7235 -16.7235 -16.5126 -16.5126 -7.8816 -7.8815 -6.6581 -6.6571 -6.1906 -6.1900 -6.1177 -6.1163 -5.8851 -5.8833 -5.7884 -5.7865 -2.4923 -2.4898 -2.4322 -2.4294 -1.1950 -1.1946 -0.9632 -0.9630 -0.5742 -0.5739 -0.0018 -0.0017 7.6426 7.6428 8.3478 8.3480 9.5191 9.5196 9.8615 9.8627 k = 0.0520 0.5004-0.0000 ( 3140 PWs) bands (ev): -16.7251 -16.7251 -16.5130 -16.5130 -7.8840 -7.8839 -6.6555 -6.6547 -6.1881 -6.1875 -6.1185 -6.1173 -5.8759 -5.8744 -5.7841 -5.7826 -2.4879 -2.4856 -2.4329 -2.4304 -1.1999 -1.1995 -0.9643 -0.9641 -0.5822 -0.5820 0.0047 0.0048 7.6565 7.6567 8.3293 8.3294 9.5414 9.5417 9.8258 9.8269 k = 0.0390 0.5004-0.0000 ( 3140 PWs) bands (ev): -16.7263 -16.7263 -16.5133 -16.5133 -7.8859 -7.8859 -6.6535 -6.6529 -6.1860 -6.1855 -6.1192 -6.1183 -5.8683 -5.8672 -5.7807 -5.7795 -2.4842 -2.4823 -2.4335 -2.4315 -1.2043 -1.2040 -0.9643 -0.9641 -0.5886 -0.5884 0.0099 0.0100 7.6690 7.6692 8.3133 8.3134 9.5620 9.5623 9.7931 9.7942 k = 0.0260 0.5004-0.0000 ( 3138 PWs) bands (ev): -16.7271 -16.7271 -16.5135 -16.5135 -7.8872 -7.8872 -6.6522 -6.6518 -6.1844 -6.1840 -6.1198 -6.1192 -5.8626 -5.8618 -5.7782 -5.7773 -2.4813 -2.4800 -2.4341 -2.4326 -1.2078 -1.2077 -0.9639 -0.9638 -0.5932 -0.5931 0.0137 0.0138 7.6790 7.6791 8.3009 8.3009 9.5805 9.5808 9.7651 9.7660 k = 0.0130 0.5004-0.0000 ( 3140 PWs) bands (ev): -16.7277 -16.7277 -16.5137 -16.5137 -7.8881 -7.8880 -6.6513 -6.6511 -6.1833 -6.1831 -6.1202 -6.1198 -5.8590 -5.8586 -5.7765 -5.7761 -2.4794 -2.4787 -2.4343 -2.4336 -1.2101 -1.2100 -0.9635 -0.9634 -0.5960 -0.5960 0.0160 0.0160 7.6854 7.6855 8.2929 8.2930 9.5948 9.5950 9.7449 9.7454 k = 0.0000 0.5004-0.0000 ( 3142 PWs) bands (ev): -16.7278 -16.7278 -16.5137 -16.5137 -7.8883 -7.8883 -6.6510 -6.6510 -6.1829 -6.1829 -6.1202 -6.1202 -5.8577 -5.8577 -5.7758 -5.7758 -2.4785 -2.4785 -2.4342 -2.4342 -1.2108 -1.2108 -0.9633 -0.9633 -0.5970 -0.5970 0.0168 0.0168 7.6877 7.6877 8.2902 8.2902 9.6006 9.6006 9.7373 9.7373 k = 0.0000 0.5004-0.0000 ( 3142 PWs) bands (ev): -16.7278 -16.7278 -16.5137 -16.5137 -7.8883 -7.8883 -6.6510 -6.6510 -6.1829 -6.1829 -6.1202 -6.1202 -5.8577 -5.8577 -5.7758 -5.7758 -2.4785 -2.4785 -2.4342 -2.4342 -1.2108 -1.2108 -0.9633 -0.9633 -0.5970 -0.5970 0.0168 0.0168 7.6877 7.6877 8.2902 8.2902 9.6006 9.6006 9.7373 9.7373 k = 0.0000 0.5004 0.0128 ( 3148 PWs) bands (ev): -16.7277 -16.7277 -16.5138 -16.5138 -7.8884 -7.8884 -6.6547 -6.6546 -6.1828 -6.1826 -6.1193 -6.1188 -5.8563 -5.8558 -5.7755 -5.7753 -2.4788 -2.4788 -2.4340 -2.4340 -1.2132 -1.2131 -0.9596 -0.9595 -0.5966 -0.5965 0.0164 0.0165 7.6899 7.6899 8.2903 8.2904 9.5983 9.5983 9.7343 9.7343 k = 0.0000 0.5004 0.0257 ( 3148 PWs) bands (ev): -16.7272 -16.7272 -16.5142 -16.5142 -7.8884 -7.8884 -6.6653 -6.6651 -6.1821 -6.1816 -6.1163 -6.1152 -5.8518 -5.8508 -5.7743 -5.7738 -2.4798 -2.4798 -2.4336 -2.4336 -1.2197 -1.2196 -0.9490 -0.9487 -0.5953 -0.5952 0.0153 0.0155 7.6964 7.6964 8.2909 8.2910 9.5915 9.5915 9.7254 9.7255 k = 0.0000 0.5004 0.0385 ( 3144 PWs) bands (ev): -16.7264 -16.7264 -16.5148 -16.5148 -7.8884 -7.8884 -6.6822 -6.6820 -6.1808 -6.1802 -6.1116 -6.1100 -5.8441 -5.8426 -5.7721 -5.7714 -2.4815 -2.4815 -2.4330 -2.4329 -1.2291 -1.2289 -0.9325 -0.9321 -0.5932 -0.5931 0.0135 0.0138 7.7071 7.7072 8.2917 8.2919 9.5803 9.5804 9.7111 9.7112 k = 0.0000 0.5004 0.0513 ( 3144 PWs) bands (ev): -16.7254 -16.7254 -16.5156 -16.5156 -7.8885 -7.8885 -6.7048 -6.7045 -6.1791 -6.1783 -6.1058 -6.1038 -5.8335 -5.8316 -5.7690 -5.7681 -2.4838 -2.4838 -2.4322 -2.4322 -1.2399 -1.2397 -0.9115 -0.9110 -0.5903 -0.5903 0.0111 0.0115 7.7221 7.7222 8.2929 8.2931 9.5649 9.5650 9.6917 9.6918 k = 0.0000 0.5004 0.0641 ( 3136 PWs) bands (ev): -16.7240 -16.7240 -16.5166 -16.5166 -7.8885 -7.8884 -6.7320 -6.7317 -6.1769 -6.1758 -6.0996 -6.0973 -5.8202 -5.8179 -5.7651 -5.7639 -2.4867 -2.4867 -2.4314 -2.4314 -1.2510 -1.2508 -0.8872 -0.8866 -0.5868 -0.5867 0.0081 0.0086 7.7412 7.7414 8.2945 8.2947 9.5454 9.5456 9.6678 9.6680 k = 0.0000 0.5004 0.0770 ( 3132 PWs) bands (ev): -16.7223 -16.7223 -16.5178 -16.5178 -7.8883 -7.8883 -6.7631 -6.7628 -6.1742 -6.1730 -6.0935 -6.0908 -5.8045 -5.8020 -5.7602 -5.7588 -2.4903 -2.4902 -2.4309 -2.4308 -1.2614 -1.2612 -0.8604 -0.8598 -0.5828 -0.5827 0.0046 0.0051 7.7643 7.7644 8.2963 8.2966 9.5221 9.5223 9.6402 9.6404 k = 0.0000 0.5004 0.0898 ( 3132 PWs) bands (ev): -16.7203 -16.7203 -16.5193 -16.5193 -7.8881 -7.8880 -6.7973 -6.7969 -6.1712 -6.1697 -6.0877 -6.0848 -5.7869 -5.7841 -5.7545 -5.7529 -2.4943 -2.4943 -2.4307 -2.4307 -1.2702 -1.2700 -0.8319 -0.8312 -0.5784 -0.5783 0.0006 0.0012 7.7911 7.7913 8.2985 8.2988 9.4952 9.4954 9.6095 9.6096 k = 0.0000 0.5004 0.1026 ( 3128 PWs) bands (ev): -16.7180 -16.7180 -16.5211 -16.5211 -7.8877 -7.8876 -6.8338 -6.8335 -6.1677 -6.1661 -6.0824 -6.0794 -5.7678 -5.7648 -5.7480 -5.7461 -2.4990 -2.4989 -2.4311 -2.4310 -1.2769 -1.2768 -0.8020 -0.8013 -0.5738 -0.5736 -0.0039 -0.0032 7.8215 7.8217 8.3009 8.3012 9.4646 9.4649 9.5761 9.5763 k = 0.0000 0.5004 0.1154 ( 3130 PWs) bands (ev): -16.7154 -16.7154 -16.5230 -16.5230 -7.8870 -7.8869 -6.8722 -6.8719 -6.1639 -6.1621 -6.0778 -6.0747 -5.7478 -5.7447 -5.7406 -5.7385 -2.5041 -2.5040 -2.4322 -2.4321 -1.2811 -1.2810 -0.7712 -0.7704 -0.5691 -0.5689 -0.0086 -0.0078 7.8551 7.8553 8.3035 8.3039 9.4307 9.4309 9.5407 9.5409 k = 0.0000 0.5004 0.1283 ( 3134 PWs) bands (ev): -16.7126 -16.7126 -16.5252 -16.5252 -7.8859 -7.8859 -6.9119 -6.9116 -6.1599 -6.1579 -6.0738 -6.0706 -5.7331 -5.7308 -5.7268 -5.7235 -2.5096 -2.5095 -2.4342 -2.4341 -1.2824 -1.2824 -0.7396 -0.7388 -0.5646 -0.5644 -0.0135 -0.0127 7.8917 7.8920 8.3063 8.3067 9.3933 9.3936 9.5036 9.5038 k = 0.0000 0.5004 0.1411 ( 3132 PWs) bands (ev): -16.7096 -16.7096 -16.5276 -16.5275 -7.8845 -7.8844 -6.9526 -6.9523 -6.1555 -6.1534 -6.0704 -6.0672 -5.7242 -5.7218 -5.7061 -5.7028 -2.5154 -2.5154 -2.4372 -2.4371 -1.2807 -1.2806 -0.7076 -0.7068 -0.5606 -0.5604 -0.0186 -0.0177 7.9310 7.9312 8.3092 8.3097 9.3528 9.3532 9.4652 9.4653 k = 0.0000 0.5004 0.1539 ( 3138 PWs) bands (ev): -16.7062 -16.7062 -16.5302 -16.5302 -7.8826 -7.8825 -6.9939 -6.9937 -6.1510 -6.1487 -6.0675 -6.0642 -5.7149 -5.7123 -5.6855 -5.6821 -2.5216 -2.5216 -2.4413 -2.4413 -1.2757 -1.2757 -0.6753 -0.6744 -0.5572 -0.5570 -0.0236 -0.0226 7.9724 7.9727 8.3122 8.3128 9.3094 9.3098 9.4255 9.4256 k = 0.0000 0.5004 0.1667 ( 3138 PWs) bands (ev): -16.7027 -16.7026 -16.5330 -16.5330 -7.8802 -7.8801 -7.0356 -7.0353 -6.1464 -6.1439 -6.0650 -6.0618 -5.7050 -5.7022 -5.6654 -5.6619 -2.5280 -2.5280 -2.4465 -2.4465 -1.2675 -1.2675 -0.6427 -0.6418 -0.5547 -0.5545 -0.0286 -0.0275 8.0155 8.0159 8.3154 8.3159 9.2633 9.2637 9.3845 9.3846 k = 0.0000 0.5004 0.1796 ( 3140 PWs) bands (ev): -16.6989 -16.6988 -16.5360 -16.5360 -7.8771 -7.8770 -7.0773 -7.0771 -6.1415 -6.1390 -6.0630 -6.0597 -5.6946 -5.6917 -5.6461 -5.6425 -2.5346 -2.5345 -2.4528 -2.4528 -1.2562 -1.2561 -0.6101 -0.6092 -0.5534 -0.5532 -0.0333 -0.0323 8.0598 8.0602 8.3185 8.3191 9.2150 9.2155 9.3423 9.3424 k = 0.0000 0.5004 0.1924 ( 3136 PWs) bands (ev): -16.6948 -16.6948 -16.5392 -16.5392 -7.8733 -7.8732 -7.1189 -7.1187 -6.1367 -6.1340 -6.0613 -6.0581 -5.6838 -5.6807 -5.6276 -5.6240 -2.5413 -2.5412 -2.4602 -2.4602 -1.2417 -1.2416 -0.5776 -0.5766 -0.5535 -0.5532 -0.0379 -0.0367 8.1047 8.1051 8.3216 8.3222 9.1652 9.1657 9.2986 9.2986 k = 0.0000 0.5004 0.2052 ( 3136 PWs) bands (ev): -16.6906 -16.6906 -16.5426 -16.5426 -7.8688 -7.8687 -7.1602 -7.1600 -6.1317 -6.1289 -6.0600 -6.0567 -5.6726 -5.6693 -5.6103 -5.6067 -2.5479 -2.5478 -2.4685 -2.4685 -1.2244 -1.2242 -0.5551 -0.5550 -0.5451 -0.5442 -0.0421 -0.0410 8.1495 8.1499 8.3247 8.3253 9.1144 9.1150 9.2530 9.2530 k = 0.0000 0.5004 0.2180 ( 3132 PWs) bands (ev): -16.6862 -16.6862 -16.5462 -16.5462 -7.8634 -7.8633 -7.2010 -7.2008 -6.1268 -6.1239 -6.0590 -6.0557 -5.6611 -5.6577 -5.5943 -5.5906 -2.5545 -2.5544 -2.4776 -2.4776 -1.2044 -1.2042 -0.5585 -0.5584 -0.5130 -0.5121 -0.0461 -0.0449 8.1934 8.1939 8.3277 8.3283 9.0636 9.0642 9.2054 9.2054 k = 0.0000 0.5004 0.2309 ( 3134 PWs) bands (ev): -16.6816 -16.6816 -16.5501 -16.5501 -7.8570 -7.8569 -7.2412 -7.2410 -6.1219 -6.1189 -6.0582 -6.0549 -5.6494 -5.6459 -5.5796 -5.5758 -2.5609 -2.5608 -2.4873 -2.4873 -1.1820 -1.1818 -0.5639 -0.5637 -0.4812 -0.4803 -0.0499 -0.0487 8.2357 8.2362 8.3305 8.3312 9.0135 9.0141 9.1556 9.1558 k = 0.0000 0.5004 0.2437 ( 3136 PWs) bands (ev): -16.6768 -16.6768 -16.5540 -16.5540 -7.8497 -7.8496 -7.2806 -7.2804 -6.1171 -6.1140 -6.0578 -6.0545 -5.6377 -5.6341 -5.5663 -5.5625 -2.5671 -2.5670 -2.4974 -2.4974 -1.1576 -1.1574 -0.5712 -0.5711 -0.4499 -0.4490 -0.0536 -0.0524 8.2755 8.2761 8.3332 8.3339 8.9649 8.9655 9.1040 9.1041 k = 0.0000 0.5004 0.2565 ( 3130 PWs) bands (ev): -16.6719 -16.6719 -16.5582 -16.5582 -7.8413 -7.8412 -7.3191 -7.3189 -6.1123 -6.1092 -6.0576 -6.0543 -5.6259 -5.6222 -5.5545 -5.5507 -2.5730 -2.5728 -2.5078 -2.5078 -1.1313 -1.1311 -0.5806 -0.5805 -0.4192 -0.4182 -0.0573 -0.0560 8.3121 8.3128 8.3359 8.3365 8.9186 8.9193 9.0510 9.0511 k = 0.0000 0.5004 0.2693 ( 3130 PWs) bands (ev): -16.6669 -16.6669 -16.5625 -16.5625 -7.8318 -7.8317 -7.3567 -7.3565 -6.1077 -6.1045 -6.0576 -6.0543 -5.6142 -5.6104 -5.5442 -5.5403 -2.5784 -2.5783 -2.5183 -2.5182 -1.1036 -1.1034 -0.5921 -0.5920 -0.3891 -0.3881 -0.0611 -0.0599 8.3384 8.3390 8.3448 8.3455 8.8753 8.8760 8.9975 8.9976 k = 0.0000 0.5004 0.2822 ( 3126 PWs) bands (ev): -16.6618 -16.6618 -16.5670 -16.5670 -7.8211 -7.8209 -7.3933 -7.3931 -6.1032 -6.0999 -6.0579 -6.0545 -5.6027 -5.5988 -5.5355 -5.5315 -2.5833 -2.5832 -2.5286 -2.5285 -1.0747 -1.0745 -0.6056 -0.6056 -0.3598 -0.3588 -0.0653 -0.0641 8.3409 8.3416 8.3729 8.3736 8.8356 8.8364 8.9446 8.9448 k = 0.0000 0.5004 0.2950 ( 3128 PWs) bands (ev): -16.6565 -16.6565 -16.5716 -16.5716 -7.8091 -7.8090 -7.4287 -7.4285 -6.0989 -6.0955 -6.0584 -6.0551 -5.5915 -5.5875 -5.5283 -5.5243 -2.5877 -2.5875 -2.5386 -2.5385 -1.0449 -1.0447 -0.6211 -0.6211 -0.3314 -0.3304 -0.0700 -0.0688 8.3436 8.3443 8.3959 8.3967 8.8000 8.8008 8.8937 8.8938 k = 0.0000 0.5004 0.3078 ( 3128 PWs) bands (ev): -16.6512 -16.6512 -16.5764 -16.5764 -7.7959 -7.7958 -7.4629 -7.4627 -6.0947 -6.0913 -6.0592 -6.0558 -5.5806 -5.5766 -5.5227 -5.5187 -2.5914 -2.5912 -2.5482 -2.5481 -1.0146 -1.0143 -0.6385 -0.6384 -0.3041 -0.3030 -0.0756 -0.0744 8.3466 8.3473 8.4135 8.4143 8.7689 8.7696 8.8460 8.8461 k = 0.0000 0.5004 0.3206 ( 3124 PWs) bands (ev): -16.6458 -16.6458 -16.5813 -16.5813 -7.7814 -7.7812 -7.4958 -7.4956 -6.0907 -6.0873 -6.0601 -6.0568 -5.5702 -5.5662 -5.5186 -5.5145 -2.5944 -2.5942 -2.5572 -2.5570 -0.9838 -0.9835 -0.6576 -0.6576 -0.2779 -0.2768 -0.0821 -0.0809 8.3503 8.3509 8.4253 8.4262 8.7423 8.7431 8.8028 8.8029 k = 0.0000 0.5004 0.3335 ( 3116 PWs) bands (ev): -16.6403 -16.6403 -16.5863 -16.5863 -7.7654 -7.7653 -7.5274 -7.5272 -6.0869 -6.0835 -6.0614 -6.0580 -5.5605 -5.5564 -5.5160 -5.5119 -2.5965 -2.5963 -2.5655 -2.5653 -0.9530 -0.9527 -0.6785 -0.6784 -0.2529 -0.2519 -0.0898 -0.0887 8.3548 8.3555 8.4314 8.4323 8.7205 8.7212 8.7654 8.7654 k = 0.0000 0.5004 0.3463 ( 3114 PWs) bands (ev): -16.6348 -16.6348 -16.5915 -16.5915 -7.7481 -7.7480 -7.5576 -7.5575 -6.0833 -6.0799 -6.0628 -6.0594 -5.5514 -5.5473 -5.5148 -5.5108 -2.5978 -2.5976 -2.5729 -2.5727 -0.9222 -0.9219 -0.7010 -0.7008 -0.2294 -0.2283 -0.0989 -0.0977 8.3605 8.3612 8.4321 8.4330 8.7032 8.7039 8.7345 8.7346 k = 0.0000 0.5004 0.3591 ( 3122 PWs) bands (ev): -16.6294 -16.6293 -16.5967 -16.5967 -7.7294 -7.7293 -7.5865 -7.5864 -6.0799 -6.0765 -6.0646 -6.0612 -5.5432 -5.5391 -5.5152 -5.5111 -2.5982 -2.5980 -2.5795 -2.5793 -0.8918 -0.8915 -0.7249 -0.7247 -0.2073 -0.2063 -0.1094 -0.1083 8.3677 8.3683 8.4278 8.4287 8.6903 8.6909 8.7106 8.7108 k = 0.0000 0.5004 0.3719 ( 3118 PWs) bands (ev): -16.6238 -16.6238 -16.6020 -16.6020 -7.7092 -7.7091 -7.6139 -7.6138 -6.0768 -6.0733 -6.0665 -6.0631 -5.5358 -5.5316 -5.5168 -5.5127 -2.5976 -2.5974 -2.5851 -2.5849 -0.8618 -0.8616 -0.7501 -0.7499 -0.1868 -0.1857 -0.1215 -0.1204 8.3764 8.3771 8.4197 8.4206 8.6817 8.6823 8.6936 8.6939 k = 0.0000 0.5004 0.3848 ( 3118 PWs) bands (ev): -16.6183 -16.6183 -16.6074 -16.6074 -7.6876 -7.6874 -7.6400 -7.6398 -6.0738 -6.0704 -6.0687 -6.0653 -5.5293 -5.5252 -5.5198 -5.5157 -2.5960 -2.5958 -2.5898 -2.5896 -0.8326 -0.8323 -0.7766 -0.7763 -0.1679 -0.1669 -0.1353 -0.1342 8.3866 8.3873 8.4092 8.4100 8.6775 8.6781 8.6829 8.6833 k = 0.0000 0.5004 0.3976 ( 3116 PWs) bands (ev): -16.6128 -16.6128 -16.6128 -16.6128 -7.6645 -7.6645 -7.6644 -7.6644 -6.0711 -6.0711 -6.0677 -6.0677 -5.5240 -5.5240 -5.5199 -5.5199 -2.5934 -2.5934 -2.5932 -2.5932 -0.8041 -0.8041 -0.8038 -0.8038 -0.1508 -0.1508 -0.1497 -0.1497 8.3978 8.3978 8.3985 8.3985 8.6778 8.6778 8.6782 8.6782 k = 0.0000 0.5004 0.3976 ( 3116 PWs) bands (ev): -16.6128 -16.6128 -16.6128 -16.6128 -7.6645 -7.6645 -7.6644 -7.6644 -6.0711 -6.0711 -6.0677 -6.0677 -5.5240 -5.5240 -5.5199 -5.5199 -2.5934 -2.5934 -2.5932 -2.5932 -0.8041 -0.8041 -0.8038 -0.8038 -0.1508 -0.1508 -0.1497 -0.1497 8.3978 8.3978 8.3985 8.3985 8.6778 8.6778 8.6782 8.6782 k = 0.0130 0.5004 0.3976 ( 3120 PWs) bands (ev): -16.6127 -16.6127 -16.6127 -16.6127 -7.6637 -7.6637 -7.6636 -7.6636 -6.0726 -6.0726 -6.0692 -6.0692 -5.5249 -5.5249 -5.5208 -5.5208 -2.5924 -2.5924 -2.5922 -2.5922 -0.8037 -0.8037 -0.8034 -0.8034 -0.1509 -0.1509 -0.1498 -0.1498 8.3942 8.3942 8.3949 8.3949 8.6831 8.6831 8.6836 8.6836 k = 0.0260 0.5004 0.3976 ( 3124 PWs) bands (ev): -16.6124 -16.6124 -16.6124 -16.6124 -7.6615 -7.6615 -7.6613 -7.6613 -6.0769 -6.0769 -6.0735 -6.0735 -5.5278 -5.5278 -5.5237 -5.5237 -2.5896 -2.5896 -2.5891 -2.5891 -0.8026 -0.8026 -0.8022 -0.8022 -0.1514 -0.1514 -0.1503 -0.1503 8.3843 8.3843 8.3850 8.3850 8.6981 8.6981 8.6987 8.6987 k = 0.0390 0.5004 0.3976 ( 3120 PWs) bands (ev): -16.6119 -16.6119 -16.6119 -16.6119 -7.6577 -7.6577 -7.6575 -7.6575 -6.0841 -6.0841 -6.0807 -6.0807 -5.5325 -5.5325 -5.5284 -5.5284 -2.5848 -2.5848 -2.5842 -2.5842 -0.8006 -0.8006 -0.8002 -0.8002 -0.1522 -0.1522 -0.1511 -0.1511 8.3703 8.3703 8.3711 8.3711 8.7201 8.7201 8.7207 8.7207 k = 0.0520 0.5004 0.3976 ( 3118 PWs) bands (ev): -16.6111 -16.6111 -16.6111 -16.6111 -7.6523 -7.6523 -7.6521 -7.6521 -6.0940 -6.0940 -6.0907 -6.0907 -5.5390 -5.5390 -5.5349 -5.5349 -2.5783 -2.5783 -2.5776 -2.5776 -0.7978 -0.7978 -0.7972 -0.7972 -0.1533 -0.1533 -0.1522 -0.1522 8.3546 8.3546 8.3553 8.3553 8.7461 8.7461 8.7468 8.7468 k = 0.0650 0.5004 0.3976 ( 3120 PWs) bands (ev): -16.6102 -16.6102 -16.6101 -16.6101 -7.6455 -7.6455 -7.6453 -7.6453 -6.1067 -6.1067 -6.1033 -6.1033 -5.5474 -5.5474 -5.5433 -5.5433 -2.5702 -2.5702 -2.5693 -2.5693 -0.7940 -0.7940 -0.7934 -0.7934 -0.1548 -0.1548 -0.1537 -0.1537 8.3386 8.3386 8.3394 8.3394 8.7735 8.7735 8.7743 8.7743 k = 0.0780 0.5004 0.3976 ( 3124 PWs) bands (ev): -16.6090 -16.6090 -16.6090 -16.6090 -7.6372 -7.6372 -7.6369 -7.6369 -6.1219 -6.1219 -6.1186 -6.1186 -5.5574 -5.5574 -5.5533 -5.5533 -2.5607 -2.5607 -2.5597 -2.5597 -0.7893 -0.7893 -0.7885 -0.7885 -0.1565 -0.1565 -0.1554 -0.1554 8.3236 8.3236 8.3243 8.3243 8.8002 8.8002 8.8011 8.8011 k = 0.0910 0.5004 0.3976 ( 3124 PWs) bands (ev): -16.6076 -16.6076 -16.6076 -16.6076 -7.6274 -7.6274 -7.6271 -7.6271 -6.1395 -6.1395 -6.1363 -6.1363 -5.5690 -5.5690 -5.5650 -5.5650 -2.5501 -2.5501 -2.5490 -2.5490 -0.7834 -0.7834 -0.7825 -0.7825 -0.1585 -0.1585 -0.1574 -0.1574 8.3100 8.3100 8.3107 8.3107 8.8244 8.8244 8.8253 8.8253 k = 0.1040 0.5004 0.3976 ( 3128 PWs) bands (ev): -16.6061 -16.6061 -16.6061 -16.6061 -7.6162 -7.6162 -7.6158 -7.6158 -6.1595 -6.1595 -6.1563 -6.1563 -5.5823 -5.5823 -5.5783 -5.5783 -2.5386 -2.5386 -2.5374 -2.5374 -0.7764 -0.7764 -0.7754 -0.7754 -0.1608 -0.1608 -0.1597 -0.1597 8.2981 8.2981 8.2987 8.2987 8.8447 8.8447 8.8457 8.8457 k = 0.1170 0.5004 0.3976 ( 3132 PWs) bands (ev): -16.6044 -16.6044 -16.6044 -16.6044 -7.6035 -7.6035 -7.6030 -7.6030 -6.1815 -6.1815 -6.1783 -6.1783 -5.5971 -5.5971 -5.5931 -5.5931 -2.5265 -2.5265 -2.5252 -2.5252 -0.7681 -0.7681 -0.7670 -0.7670 -0.1633 -0.1633 -0.1622 -0.1622 8.2878 8.2878 8.2884 8.2884 8.8604 8.8604 8.8614 8.8614 k = 0.1300 0.5004 0.3976 ( 3132 PWs) bands (ev): -16.6025 -16.6025 -16.6025 -16.6025 -7.5893 -7.5893 -7.5889 -7.5889 -6.2054 -6.2054 -6.2023 -6.2023 -5.6132 -5.6132 -5.6094 -5.6094 -2.5141 -2.5141 -2.5126 -2.5126 -0.7585 -0.7585 -0.7573 -0.7573 -0.1661 -0.1661 -0.1650 -0.1650 8.2787 8.2787 8.2794 8.2794 8.8713 8.8713 8.8724 8.8724 k = 0.1430 0.5004 0.3976 ( 3126 PWs) bands (ev): -16.6005 -16.6005 -16.6005 -16.6005 -7.5738 -7.5738 -7.5733 -7.5733 -6.2310 -6.2310 -6.2279 -6.2279 -5.6308 -5.6308 -5.6271 -5.6271 -2.5016 -2.5016 -2.5000 -2.5000 -0.7474 -0.7474 -0.7461 -0.7461 -0.1691 -0.1691 -0.1679 -0.1679 8.2704 8.2704 8.2710 8.2710 8.8778 8.8778 8.8790 8.8790 k = 0.1560 0.5004 0.3976 ( 3128 PWs) bands (ev): -16.5983 -16.5983 -16.5983 -16.5983 -7.5569 -7.5569 -7.5563 -7.5563 -6.2580 -6.2580 -6.2551 -6.2551 -5.6497 -5.6497 -5.6461 -5.6461 -2.4892 -2.4892 -2.4876 -2.4876 -0.7349 -0.7349 -0.7336 -0.7336 -0.1722 -0.1722 -0.1711 -0.1711 8.2621 8.2621 8.2627 8.2627 8.8812 8.8812 8.8824 8.8824 k = 0.1690 0.5004 0.3976 ( 3132 PWs) bands (ev): -16.5960 -16.5960 -16.5960 -16.5960 -7.5386 -7.5386 -7.5380 -7.5380 -6.2863 -6.2863 -6.2834 -6.2834 -5.6699 -5.6699 -5.6664 -5.6664 -2.4773 -2.4773 -2.4756 -2.4756 -0.7209 -0.7209 -0.7195 -0.7195 -0.1756 -0.1756 -0.1744 -0.1744 8.2528 8.2528 8.2534 8.2534 8.8829 8.8829 8.8842 8.8842 k = 0.1820 0.5004 0.3976 ( 3134 PWs) bands (ev): -16.5936 -16.5936 -16.5936 -16.5936 -7.5191 -7.5191 -7.5184 -7.5184 -6.3156 -6.3156 -6.3128 -6.3128 -5.6914 -5.6914 -5.6879 -5.6879 -2.4660 -2.4660 -2.4643 -2.4643 -0.7054 -0.7054 -0.7039 -0.7039 -0.1790 -0.1790 -0.1779 -0.1779 8.2416 8.2416 8.2422 8.2422 8.8848 8.8848 8.8862 8.8862 k = 0.1950 0.5004 0.3976 ( 3138 PWs) bands (ev): -16.5911 -16.5911 -16.5911 -16.5911 -7.4983 -7.4983 -7.4975 -7.4975 -6.3457 -6.3457 -6.3429 -6.3429 -5.7140 -5.7140 -5.7107 -5.7107 -2.4554 -2.4554 -2.4536 -2.4536 -0.6884 -0.6884 -0.6870 -0.6870 -0.1826 -0.1826 -0.1815 -0.1815 8.2275 8.2275 8.2281 8.2281 8.8889 8.8889 8.8904 8.8904 k = 0.2080 0.5004 0.3976 ( 3134 PWs) bands (ev): -16.5885 -16.5885 -16.5885 -16.5885 -7.4762 -7.4762 -7.4754 -7.4754 -6.3763 -6.3763 -6.3736 -6.3736 -5.7378 -5.7378 -5.7346 -5.7346 -2.4457 -2.4457 -2.4439 -2.4439 -0.6700 -0.6700 -0.6686 -0.6686 -0.1863 -0.1863 -0.1852 -0.1852 8.2097 8.2097 8.2103 8.2103 8.8968 8.8968 8.8985 8.8985 k = 0.2210 0.5004 0.3976 ( 3136 PWs) bands (ev): -16.5859 -16.5859 -16.5858 -16.5858 -7.4530 -7.4530 -7.4520 -7.4520 -6.4072 -6.4072 -6.4046 -6.4046 -5.7627 -5.7627 -5.7596 -5.7596 -2.4369 -2.4369 -2.4352 -2.4352 -0.6504 -0.6504 -0.6489 -0.6489 -0.1901 -0.1901 -0.1890 -0.1890 8.1877 8.1877 8.1883 8.1883 8.9099 8.9099 8.9117 8.9117 k = 0.2340 0.5004 0.3976 ( 3144 PWs) bands (ev): -16.5832 -16.5832 -16.5832 -16.5832 -7.4286 -7.4286 -7.4276 -7.4276 -6.4382 -6.4382 -6.4356 -6.4356 -5.7886 -5.7886 -5.7857 -5.7857 -2.4292 -2.4292 -2.4276 -2.4276 -0.6295 -0.6295 -0.6280 -0.6280 -0.1939 -0.1939 -0.1928 -0.1928 8.1614 8.1614 8.1620 8.1620 8.9291 8.9291 8.9310 8.9310 k = 0.2470 0.5004 0.3976 ( 3134 PWs) bands (ev): -16.5804 -16.5804 -16.5804 -16.5804 -7.4032 -7.4032 -7.4021 -7.4021 -6.4691 -6.4691 -6.4665 -6.4665 -5.8156 -5.8156 -5.8127 -5.8127 -2.4226 -2.4226 -2.4209 -2.4209 -0.6076 -0.6076 -0.6061 -0.6061 -0.1977 -0.1977 -0.1966 -0.1966 8.1311 8.1311 8.1316 8.1316 8.9547 8.9547 8.9566 8.9566 k = 0.2600 0.5004 0.3976 ( 3130 PWs) bands (ev): -16.5777 -16.5777 -16.5777 -16.5777 -7.3767 -7.3767 -7.3756 -7.3756 -6.4996 -6.4996 -6.4970 -6.4970 -5.8435 -5.8435 -5.8408 -5.8408 -2.4170 -2.4170 -2.4154 -2.4154 -0.5849 -0.5849 -0.5834 -0.5834 -0.2015 -0.2015 -0.2004 -0.2004 8.0972 8.0972 8.0978 8.0978 8.9866 8.9866 8.9886 8.9886 k = 0.2730 0.5004 0.3976 ( 3130 PWs) bands (ev): -16.5750 -16.5750 -16.5750 -16.5750 -7.3494 -7.3494 -7.3481 -7.3481 -6.5296 -6.5296 -6.5270 -6.5270 -5.8723 -5.8723 -5.8697 -5.8697 -2.4124 -2.4124 -2.4108 -2.4108 -0.5615 -0.5615 -0.5601 -0.5601 -0.2053 -0.2053 -0.2042 -0.2042 8.0607 8.0607 8.0612 8.0612 9.0244 9.0244 9.0265 9.0265 k = 0.2860 0.5004 0.3976 ( 3126 PWs) bands (ev): -16.5723 -16.5723 -16.5723 -16.5723 -7.3212 -7.3212 -7.3198 -7.3198 -6.5589 -6.5589 -6.5563 -6.5563 -5.9018 -5.9018 -5.8994 -5.8994 -2.4087 -2.4087 -2.4072 -2.4072 -0.5377 -0.5377 -0.5363 -0.5363 -0.2090 -0.2090 -0.2079 -0.2079 8.0222 8.0222 8.0227 8.0227 9.0677 9.0677 9.0699 9.0699 k = 0.2990 0.5004 0.3976 ( 3128 PWs) bands (ev): -16.5696 -16.5696 -16.5696 -16.5696 -7.2923 -7.2923 -7.2908 -7.2908 -6.5873 -6.5873 -6.5847 -6.5847 -5.9321 -5.9321 -5.9298 -5.9298 -2.4060 -2.4060 -2.4045 -2.4045 -0.5138 -0.5138 -0.5124 -0.5124 -0.2126 -0.2126 -0.2115 -0.2115 7.9825 7.9825 7.9830 7.9830 9.1158 9.1158 9.1181 9.1181 k = 0.3120 0.5004 0.3976 ( 3126 PWs) bands (ev): -16.5671 -16.5671 -16.5671 -16.5671 -7.2627 -7.2627 -7.2611 -7.2611 -6.6146 -6.6146 -6.6119 -6.6119 -5.9631 -5.9631 -5.9609 -5.9609 -2.4040 -2.4040 -2.4026 -2.4026 -0.4899 -0.4899 -0.4886 -0.4886 -0.2161 -0.2161 -0.2150 -0.2150 7.9425 7.9425 7.9429 7.9429 9.1681 9.1681 9.1705 9.1705 k = 0.3250 0.5004 0.3976 ( 3126 PWs) bands (ev): -16.5646 -16.5646 -16.5646 -16.5646 -7.2327 -7.2327 -7.2309 -7.2309 -6.6408 -6.6408 -6.6380 -6.6380 -5.9945 -5.9945 -5.9924 -5.9924 -2.4027 -2.4027 -2.4014 -2.4014 -0.4664 -0.4664 -0.4651 -0.4651 -0.2194 -0.2194 -0.2183 -0.2183 7.9026 7.9026 7.9031 7.9031 9.2239 9.2239 9.2264 9.2264 k = 0.3380 0.5004 0.3976 ( 3130 PWs) bands (ev): -16.5622 -16.5622 -16.5622 -16.5622 -7.2023 -7.2023 -7.2004 -7.2004 -6.6656 -6.6656 -6.6627 -6.6627 -6.0262 -6.0262 -6.0243 -6.0243 -2.4020 -2.4020 -2.4008 -2.4008 -0.4435 -0.4435 -0.4422 -0.4422 -0.2226 -0.2226 -0.2214 -0.2214 7.8636 7.8636 7.8640 7.8640 9.2826 9.2826 9.2852 9.2852 k = 0.3510 0.5004 0.3976 ( 3130 PWs) bands (ev): -16.5599 -16.5599 -16.5599 -16.5599 -7.1718 -7.1718 -7.1697 -7.1697 -6.6889 -6.6889 -6.6858 -6.6858 -6.0581 -6.0581 -6.0563 -6.0563 -2.4018 -2.4018 -2.4007 -2.4007 -0.4214 -0.4214 -0.4201 -0.4201 -0.2255 -0.2255 -0.2243 -0.2243 7.8259 7.8259 7.8263 7.8263 9.3435 9.3435 9.3462 9.3462 k = 0.3640 0.5004 0.3976 ( 3128 PWs) bands (ev): -16.5578 -16.5578 -16.5578 -16.5578 -7.1414 -7.1414 -7.1390 -7.1390 -6.7106 -6.7106 -6.7073 -6.7073 -6.0900 -6.0900 -6.0883 -6.0883 -2.4020 -2.4020 -2.4010 -2.4010 -0.4003 -0.4003 -0.3991 -0.3991 -0.2281 -0.2281 -0.2269 -0.2269 7.7901 7.7901 7.7904 7.7904 9.4058 9.4058 9.4085 9.4085 k = 0.3770 0.5004 0.3976 ( 3138 PWs) bands (ev): -16.5558 -16.5558 -16.5558 -16.5558 -7.1114 -7.1114 -7.1088 -7.1088 -6.7304 -6.7304 -6.7269 -6.7269 -6.1216 -6.1216 -6.1200 -6.1200 -2.4026 -2.4026 -2.4017 -2.4017 -0.3807 -0.3807 -0.3794 -0.3794 -0.2304 -0.2304 -0.2293 -0.2293 7.7563 7.7563 7.7567 7.7567 9.4688 9.4688 9.4716 9.4716 k = 0.3900 0.5004 0.3976 ( 3138 PWs) bands (ev): -16.5539 -16.5539 -16.5539 -16.5539 -7.0820 -7.0820 -7.0791 -7.0791 -6.7484 -6.7484 -6.7446 -6.7446 -6.1526 -6.1526 -6.1511 -6.1511 -2.4033 -2.4033 -2.4025 -2.4025 -0.3625 -0.3625 -0.3613 -0.3613 -0.2324 -0.2324 -0.2312 -0.2312 7.7251 7.7251 7.7254 7.7254 9.5317 9.5317 9.5346 9.5346 k = 0.4030 0.5004 0.3976 ( 3136 PWs) bands (ev): -16.5523 -16.5523 -16.5523 -16.5523 -7.0536 -7.0536 -7.0505 -7.0505 -6.7644 -6.7644 -6.7603 -6.7603 -6.1826 -6.1826 -6.1812 -6.1812 -2.4042 -2.4042 -2.4034 -2.4034 -0.3461 -0.3461 -0.3449 -0.3449 -0.2340 -0.2340 -0.2328 -0.2328 7.6967 7.6967 7.6970 7.6970 9.5937 9.5937 9.5966 9.5966 k = 0.4160 0.5004 0.3976 ( 3140 PWs) bands (ev): -16.5508 -16.5508 -16.5508 -16.5508 -7.0269 -7.0269 -7.0234 -7.0234 -6.7781 -6.7781 -6.7737 -6.7737 -6.2113 -6.2113 -6.2099 -6.2099 -2.4052 -2.4052 -2.4045 -2.4045 -0.3317 -0.3317 -0.3305 -0.3305 -0.2352 -0.2352 -0.2340 -0.2340 7.6714 7.6714 7.6716 7.6716 9.6537 9.6537 9.6566 9.6566 k = 0.4290 0.5004 0.3976 ( 3136 PWs) bands (ev): -16.5495 -16.5495 -16.5495 -16.5495 -7.0023 -7.0023 -6.9985 -6.9985 -6.7896 -6.7896 -6.7849 -6.7849 -6.2379 -6.2379 -6.2367 -6.2367 -2.4061 -2.4061 -2.4055 -2.4055 -0.3192 -0.3192 -0.3181 -0.3181 -0.2360 -0.2360 -0.2348 -0.2348 7.6493 7.6493 7.6495 7.6495 9.7108 9.7108 9.7137 9.7137 k = 0.4420 0.5004 0.3976 ( 3132 PWs) bands (ev): -16.5484 -16.5484 -16.5484 -16.5484 -6.9805 -6.9805 -6.9764 -6.9764 -6.7985 -6.7985 -6.7937 -6.7937 -6.2620 -6.2620 -6.2609 -6.2609 -2.4070 -2.4070 -2.4065 -2.4065 -0.3089 -0.3089 -0.3078 -0.3078 -0.2364 -0.2364 -0.2353 -0.2353 7.6306 7.6306 7.6308 7.6308 9.7638 9.7638 9.7665 9.7665 k = 0.4550 0.5004 0.3976 ( 3126 PWs) bands (ev): -16.5476 -16.5476 -16.5476 -16.5476 -6.9622 -6.9622 -6.9581 -6.9581 -6.8050 -6.8050 -6.8001 -6.8001 -6.2827 -6.2827 -6.2817 -6.2817 -2.4078 -2.4078 -2.4074 -2.4074 -0.3006 -0.3006 -0.2996 -0.2996 -0.2367 -0.2367 -0.2357 -0.2357 7.6156 7.6156 7.6157 7.6157 9.8112 9.8112 9.8138 9.8138 k = 0.4680 0.5004 0.3976 ( 3124 PWs) bands (ev): -16.5469 -16.5469 -16.5469 -16.5469 -6.9479 -6.9479 -6.9440 -6.9440 -6.8089 -6.8089 -6.8043 -6.8043 -6.2992 -6.2992 -6.2984 -6.2984 -2.4084 -2.4084 -2.4081 -2.4081 -0.2943 -0.2943 -0.2934 -0.2934 -0.2370 -0.2370 -0.2361 -0.2361 7.6042 7.6042 7.6043 7.6043 9.8517 9.8517 9.8540 9.8540 k = 0.4810 0.5004 0.3976 ( 3122 PWs) bands (ev): -16.5465 -16.5465 -16.5465 -16.5465 -6.9381 -6.9381 -6.9348 -6.9348 -6.8108 -6.8108 -6.8069 -6.8069 -6.3108 -6.3108 -6.3101 -6.3101 -2.4089 -2.4089 -2.4087 -2.4087 -0.2896 -0.2896 -0.2889 -0.2889 -0.2376 -0.2376 -0.2369 -0.2369 7.5965 7.5965 7.5966 7.5966 9.8835 9.8835 9.8854 9.8854 k = 0.4810 0.5004 0.3976 ( 3122 PWs) bands (ev): -16.5465 -16.5465 -16.5465 -16.5465 -6.9381 -6.9381 -6.9348 -6.9348 -6.8108 -6.8108 -6.8069 -6.8069 -6.3108 -6.3108 -6.3101 -6.3101 -2.4089 -2.4089 -2.4087 -2.4087 -0.2896 -0.2896 -0.2889 -0.2889 -0.2376 -0.2376 -0.2369 -0.2369 7.5965 7.5965 7.5966 7.5966 9.8835 9.8835 9.8854 9.8854 k = 0.4719 0.4909 0.3976 ( 3118 PWs) bands (ev): -16.5470 -16.5470 -16.5470 -16.5470 -6.9511 -6.9511 -6.9469 -6.9469 -6.8087 -6.8087 -6.8038 -6.8038 -6.2952 -6.2952 -6.2944 -6.2944 -2.4082 -2.4082 -2.4078 -2.4078 -0.2962 -0.2962 -0.2953 -0.2953 -0.2363 -0.2363 -0.2353 -0.2353 7.6068 7.6068 7.6069 7.6069 9.8375 9.8375 9.8400 9.8400 k = 0.4629 0.4815 0.3976 ( 3120 PWs) bands (ev): -16.5478 -16.5478 -16.5478 -16.5478 -6.9676 -6.9676 -6.9630 -6.9630 -6.8053 -6.8053 -6.7998 -6.7998 -6.2749 -6.2749 -6.2738 -6.2738 -2.4071 -2.4071 -2.4066 -2.4066 -0.3047 -0.3047 -0.3036 -0.3036 -0.2348 -0.2348 -0.2338 -0.2338 7.6210 7.6210 7.6211 7.6211 9.7801 9.7801 9.7829 9.7829 k = 0.4538 0.4721 0.3976 ( 3124 PWs) bands (ev): -16.5488 -16.5488 -16.5488 -16.5488 -6.9869 -6.9869 -6.9822 -6.9822 -6.8006 -6.8006 -6.7950 -6.7950 -6.2505 -6.2505 -6.2493 -6.2493 -2.4058 -2.4058 -2.4052 -2.4052 -0.3148 -0.3148 -0.3137 -0.3137 -0.2335 -0.2335 -0.2324 -0.2324 7.6389 7.6389 7.6390 7.6390 9.7141 9.7141 9.7171 9.7171 k = 0.4447 0.4626 0.3976 ( 3132 PWs) bands (ev): -16.5500 -16.5500 -16.5500 -16.5500 -7.0082 -7.0082 -7.0036 -7.0036 -6.7947 -6.7947 -6.7892 -6.7892 -6.2229 -6.2229 -6.2216 -6.2216 -2.4043 -2.4043 -2.4036 -2.4036 -0.3263 -0.3263 -0.3251 -0.3251 -0.2323 -0.2323 -0.2312 -0.2312 7.6604 7.6604 7.6605 7.6605 9.6418 9.6418 9.6448 9.6448 k = 0.4356 0.4532 0.3976 ( 3130 PWs) bands (ev): -16.5514 -16.5514 -16.5514 -16.5514 -7.0309 -7.0309 -7.0265 -7.0265 -6.7878 -6.7878 -6.7825 -6.7825 -6.1929 -6.1929 -6.1916 -6.1916 -2.4026 -2.4026 -2.4017 -2.4017 -0.3391 -0.3391 -0.3379 -0.3379 -0.2314 -0.2314 -0.2303 -0.2303 7.6852 7.6852 7.6854 7.6854 9.5646 9.5646 9.5677 9.5677 k = 0.4265 0.4437 0.3976 ( 3126 PWs) bands (ev): -16.5530 -16.5530 -16.5530 -16.5530 -7.0543 -7.0543 -7.0502 -7.0502 -6.7797 -6.7797 -6.7747 -6.7747 -6.1612 -6.1612 -6.1598 -6.1598 -2.4007 -2.4007 -2.3998 -2.3998 -0.3530 -0.3530 -0.3519 -0.3519 -0.2306 -0.2306 -0.2295 -0.2295 7.7132 7.7132 7.7134 7.7134 9.4837 9.4837 9.4868 9.4868 k = 0.4175 0.4343 0.3976 ( 3118 PWs) bands (ev): -16.5548 -16.5548 -16.5548 -16.5548 -7.0781 -7.0781 -7.0742 -7.0742 -6.7707 -6.7707 -6.7660 -6.7660 -6.1283 -6.1283 -6.1269 -6.1269 -2.3987 -2.3987 -2.3977 -2.3977 -0.3680 -0.3680 -0.3668 -0.3668 -0.2300 -0.2300 -0.2290 -0.2290 7.7440 7.7440 7.7442 7.7442 9.4001 9.4001 9.4031 9.4031 k = 0.4084 0.4249 0.3976 ( 3122 PWs) bands (ev): -16.5568 -16.5568 -16.5568 -16.5568 -7.1018 -7.1018 -7.0982 -7.0982 -6.7607 -6.7607 -6.7563 -6.7563 -6.0948 -6.0948 -6.0933 -6.0933 -2.3967 -2.3967 -2.3956 -2.3956 -0.3839 -0.3839 -0.3828 -0.3828 -0.2295 -0.2295 -0.2285 -0.2285 7.7774 7.7774 7.7776 7.7776 9.3144 9.3144 9.3173 9.3173 k = 0.3993 0.4154 0.3976 ( 3120 PWs) bands (ev): -16.5590 -16.5590 -16.5590 -16.5590 -7.1251 -7.1251 -7.1217 -7.1217 -6.7497 -6.7497 -6.7456 -6.7456 -6.0609 -6.0609 -6.0593 -6.0593 -2.3948 -2.3948 -2.3936 -2.3936 -0.4006 -0.4006 -0.3994 -0.3994 -0.2291 -0.2291 -0.2282 -0.2282 7.8129 7.8129 7.8131 7.8131 9.2274 9.2274 9.2303 9.2303 k = 0.3902 0.4060 0.3976 ( 3120 PWs) bands (ev): -16.5614 -16.5614 -16.5614 -16.5614 -7.1478 -7.1478 -7.1446 -7.1446 -6.7379 -6.7379 -6.7341 -6.7341 -6.0270 -6.0270 -6.0254 -6.0254 -2.3930 -2.3930 -2.3917 -2.3917 -0.4179 -0.4179 -0.4167 -0.4167 -0.2286 -0.2286 -0.2278 -0.2278 7.8501 7.8501 7.8503 7.8503 9.1398 9.1398 9.1426 9.1426 k = 0.3812 0.3965 0.3976 ( 3120 PWs) bands (ev): -16.5639 -16.5639 -16.5639 -16.5639 -7.1695 -7.1695 -7.1665 -7.1665 -6.7252 -6.7252 -6.7216 -6.7216 -5.9936 -5.9936 -5.9919 -5.9919 -2.3914 -2.3914 -2.3900 -2.3900 -0.4357 -0.4357 -0.4345 -0.4345 -0.2282 -0.2282 -0.2274 -0.2274 7.8884 7.8884 7.8886 7.8886 9.0522 9.0522 9.0548 9.0548 k = 0.3721 0.3871 0.3976 ( 3120 PWs) bands (ev): -16.5667 -16.5667 -16.5667 -16.5667 -7.1902 -7.1902 -7.1873 -7.1873 -6.7116 -6.7116 -6.7083 -6.7083 -5.9607 -5.9607 -5.9590 -5.9590 -2.3901 -2.3901 -2.3886 -2.3886 -0.4537 -0.4537 -0.4525 -0.4525 -0.2276 -0.2276 -0.2268 -0.2268 7.9272 7.9272 7.9274 7.9274 8.9653 8.9653 8.9678 8.9678 k = 0.3630 0.3777 0.3976 ( 3116 PWs) bands (ev): -16.5696 -16.5696 -16.5696 -16.5696 -7.2095 -7.2095 -7.2069 -7.2069 -6.6972 -6.6972 -6.6942 -6.6942 -5.9288 -5.9288 -5.9270 -5.9270 -2.3892 -2.3892 -2.3876 -2.3876 -0.4719 -0.4719 -0.4707 -0.4707 -0.2268 -0.2268 -0.2261 -0.2261 7.9656 7.9656 7.9658 7.9658 8.8799 8.8799 8.8824 8.8824 k = 0.3539 0.3682 0.3976 ( 3116 PWs) bands (ev): -16.5726 -16.5726 -16.5726 -16.5726 -7.2276 -7.2276 -7.2250 -7.2250 -6.6821 -6.6821 -6.6793 -6.6793 -5.8979 -5.8979 -5.8961 -5.8961 -2.3887 -2.3887 -2.3871 -2.3871 -0.4902 -0.4902 -0.4889 -0.4889 -0.2258 -0.2258 -0.2251 -0.2251 8.0024 8.0024 8.0026 8.0026 8.7972 8.7972 8.7996 8.7996 k = 0.3449 0.3588 0.3976 ( 3116 PWs) bands (ev): -16.5758 -16.5758 -16.5758 -16.5758 -7.2441 -7.2441 -7.2417 -7.2417 -6.6663 -6.6663 -6.6637 -6.6637 -5.8684 -5.8684 -5.8664 -5.8664 -2.3889 -2.3889 -2.3871 -2.3871 -0.5082 -0.5082 -0.5070 -0.5070 -0.2245 -0.2245 -0.2238 -0.2238 8.0361 8.0361 8.0363 8.0363 8.7188 8.7188 8.7211 8.7211 k = 0.3358 0.3493 0.3976 ( 3118 PWs) bands (ev): -16.5792 -16.5792 -16.5792 -16.5792 -7.2591 -7.2591 -7.2568 -7.2568 -6.6498 -6.6498 -6.6474 -6.6474 -5.8403 -5.8403 -5.8382 -5.8382 -2.3896 -2.3896 -2.3878 -2.3878 -0.5260 -0.5260 -0.5247 -0.5247 -0.2229 -0.2229 -0.2222 -0.2222 8.0642 8.0642 8.0644 8.0644 8.6468 8.6468 8.6490 8.6490 k = 0.3267 0.3399 0.3976 ( 3118 PWs) bands (ev): -16.5826 -16.5826 -16.5826 -16.5826 -7.2724 -7.2724 -7.2703 -7.2703 -6.6327 -6.6327 -6.6305 -6.6305 -5.8138 -5.8138 -5.8117 -5.8117 -2.3911 -2.3911 -2.3892 -2.3892 -0.5432 -0.5432 -0.5419 -0.5419 -0.2208 -0.2208 -0.2202 -0.2202 8.0832 8.0832 8.0836 8.0836 8.5845 8.5845 8.5867 8.5867 k = 0.3176 0.3304 0.3976 ( 3118 PWs) bands (ev): -16.5863 -16.5863 -16.5862 -16.5862 -7.2841 -7.2841 -7.2820 -7.2820 -6.6151 -6.6151 -6.6130 -6.6130 -5.7891 -5.7891 -5.7869 -5.7869 -2.3933 -2.3933 -2.3914 -2.3914 -0.5599 -0.5599 -0.5586 -0.5586 -0.2184 -0.2184 -0.2177 -0.2177 8.0888 8.0888 8.0893 8.0893 8.5365 8.5365 8.5386 8.5386 k = 0.3086 0.3210 0.3976 ( 3114 PWs) bands (ev): -16.5900 -16.5900 -16.5899 -16.5899 -7.2939 -7.2939 -7.2920 -7.2920 -6.5969 -6.5969 -6.5949 -6.5949 -5.7663 -5.7663 -5.7640 -5.7640 -2.3964 -2.3964 -2.3945 -2.3945 -0.5759 -0.5759 -0.5746 -0.5746 -0.2155 -0.2155 -0.2148 -0.2148 8.0766 8.0766 8.0774 8.0774 8.5066 8.5066 8.5086 8.5086 k = 0.2995 0.3116 0.3976 ( 3120 PWs) bands (ev): -16.5938 -16.5938 -16.5938 -16.5938 -7.3020 -7.3020 -7.3001 -7.3001 -6.5782 -6.5782 -6.5764 -6.5764 -5.7456 -5.7456 -5.7431 -5.7431 -2.4004 -2.4004 -2.3985 -2.3985 -0.5910 -0.5910 -0.5898 -0.5898 -0.2121 -0.2121 -0.2114 -0.2114 8.0462 8.0462 8.0471 8.0471 8.4954 8.4954 8.4972 8.4972 k = 0.2904 0.3021 0.3976 ( 3124 PWs) bands (ev): -16.5977 -16.5977 -16.5977 -16.5977 -7.3082 -7.3082 -7.3064 -7.3064 -6.5592 -6.5592 -6.5575 -6.5575 -5.7269 -5.7269 -5.7243 -5.7243 -2.4053 -2.4053 -2.4033 -2.4033 -0.6053 -0.6053 -0.6041 -0.6041 -0.2083 -0.2083 -0.2076 -0.2076 8.0013 8.0013 8.0022 8.0022 8.4989 8.4989 8.5005 8.5005 k = 0.2813 0.2927 0.3976 ( 3128 PWs) bands (ev): -16.6017 -16.6017 -16.6017 -16.6017 -7.3126 -7.3126 -7.3109 -7.3109 -6.5399 -6.5399 -6.5382 -6.5382 -5.7105 -5.7105 -5.7077 -5.7077 -2.4111 -2.4111 -2.4092 -2.4092 -0.6186 -0.6186 -0.6174 -0.6174 -0.2040 -0.2040 -0.2032 -0.2032 7.9473 7.9473 7.9482 7.9482 8.5117 8.5117 8.5131 8.5131 k = 0.2723 0.2832 0.3976 ( 3130 PWs) bands (ev): -16.6057 -16.6057 -16.6057 -16.6057 -7.3152 -7.3152 -7.3135 -7.3135 -6.5203 -6.5203 -6.5187 -6.5187 -5.6963 -5.6963 -5.6934 -5.6934 -2.4178 -2.4178 -2.4159 -2.4159 -0.6309 -0.6309 -0.6298 -0.6298 -0.1991 -0.1991 -0.1984 -0.1984 7.8887 7.8887 7.8896 7.8896 8.5291 8.5291 8.5304 8.5304 k = 0.2632 0.2738 0.3976 ( 3134 PWs) bands (ev): -16.6098 -16.6098 -16.6098 -16.6098 -7.3158 -7.3158 -7.3142 -7.3142 -6.5005 -6.5005 -6.4989 -6.4989 -5.6844 -5.6844 -5.6814 -5.6814 -2.4254 -2.4254 -2.4235 -2.4235 -0.6422 -0.6422 -0.6411 -0.6411 -0.1939 -0.1939 -0.1931 -0.1931 7.8285 7.8285 7.8294 7.8294 8.5480 8.5480 8.5492 8.5492 k = 0.2541 0.2644 0.3976 ( 3126 PWs) bands (ev): -16.6139 -16.6139 -16.6139 -16.6139 -7.3146 -7.3146 -7.3131 -7.3131 -6.4805 -6.4805 -6.4789 -6.4789 -5.6749 -5.6749 -5.6718 -5.6718 -2.4338 -2.4338 -2.4320 -2.4320 -0.6524 -0.6524 -0.6514 -0.6514 -0.1883 -0.1883 -0.1874 -0.1874 7.7688 7.7688 7.7696 7.7696 8.5665 8.5665 8.5676 8.5676 k = 0.2450 0.2549 0.3976 ( 3130 PWs) bands (ev): -16.6181 -16.6181 -16.6181 -16.6181 -7.3116 -7.3116 -7.3101 -7.3101 -6.4606 -6.4606 -6.4588 -6.4588 -5.6678 -5.6678 -5.6645 -5.6645 -2.4430 -2.4430 -2.4412 -2.4412 -0.6616 -0.6616 -0.6606 -0.6606 -0.1823 -0.1823 -0.1815 -0.1815 7.7108 7.7108 7.7116 7.7116 8.5834 8.5834 8.5844 8.5844 k = 0.2360 0.2455 0.3976 ( 3130 PWs) bands (ev): -16.6223 -16.6223 -16.6222 -16.6222 -7.3067 -7.3067 -7.3053 -7.3053 -6.4406 -6.4406 -6.4388 -6.4388 -5.6631 -5.6631 -5.6597 -5.6597 -2.4529 -2.4529 -2.4511 -2.4511 -0.6697 -0.6697 -0.6688 -0.6688 -0.1761 -0.1761 -0.1753 -0.1753 7.6555 7.6555 7.6561 7.6561 8.5979 8.5979 8.5987 8.5987 k = 0.2269 0.2360 0.3976 ( 3128 PWs) bands (ev): -16.6264 -16.6264 -16.6264 -16.6264 -7.3000 -7.3000 -7.2987 -7.2987 -6.4207 -6.4207 -6.4188 -6.4188 -5.6608 -5.6608 -5.6572 -5.6572 -2.4633 -2.4633 -2.4616 -2.4616 -0.6768 -0.6768 -0.6760 -0.6760 -0.1698 -0.1698 -0.1689 -0.1689 7.6034 7.6034 7.6040 7.6040 8.6095 8.6095 8.6103 8.6103 k = 0.2178 0.2266 0.3976 ( 3128 PWs) bands (ev): -16.6306 -16.6306 -16.6306 -16.6306 -7.2916 -7.2916 -7.2903 -7.2903 -6.4010 -6.4010 -6.3989 -6.3989 -5.6609 -5.6609 -5.6572 -5.6572 -2.4742 -2.4742 -2.4725 -2.4725 -0.6829 -0.6829 -0.6822 -0.6822 -0.1634 -0.1634 -0.1625 -0.1625 7.5551 7.5551 7.5556 7.5556 8.6180 8.6180 8.6186 8.6186 k = 0.2087 0.2172 0.3976 ( 3124 PWs) bands (ev): -16.6347 -16.6347 -16.6347 -16.6347 -7.2815 -7.2815 -7.2802 -7.2802 -6.3815 -6.3815 -6.3792 -6.3792 -5.6633 -5.6633 -5.6594 -5.6594 -2.4854 -2.4854 -2.4838 -2.4838 -0.6881 -0.6881 -0.6873 -0.6873 -0.1570 -0.1570 -0.1562 -0.1562 7.5110 7.5110 7.5115 7.5115 8.6232 8.6232 8.6237 8.6237 k = 0.1997 0.2077 0.3976 ( 3124 PWs) bands (ev): -16.6388 -16.6388 -16.6387 -16.6387 -7.2697 -7.2697 -7.2684 -7.2684 -6.3623 -6.3623 -6.3599 -6.3599 -5.6680 -5.6680 -5.6639 -5.6639 -2.4969 -2.4969 -2.4953 -2.4953 -0.6923 -0.6923 -0.6916 -0.6916 -0.1509 -0.1509 -0.1500 -0.1500 7.4714 7.4714 7.4718 7.4718 8.6250 8.6250 8.6254 8.6254 k = 0.1906 0.1983 0.3976 ( 3116 PWs) bands (ev): -16.6428 -16.6428 -16.6428 -16.6428 -7.2562 -7.2562 -7.2550 -7.2550 -6.3435 -6.3435 -6.3409 -6.3409 -5.6749 -5.6749 -5.6707 -5.6707 -2.5084 -2.5084 -2.5070 -2.5070 -0.6956 -0.6956 -0.6949 -0.6949 -0.1451 -0.1451 -0.1442 -0.1442 7.4365 7.4365 7.4368 7.4368 8.6234 8.6234 8.6238 8.6238 k = 0.1815 0.1888 0.3976 ( 3128 PWs) bands (ev): -16.6467 -16.6467 -16.6467 -16.6467 -7.2413 -7.2413 -7.2401 -7.2401 -6.3253 -6.3253 -6.3224 -6.3224 -5.6839 -5.6839 -5.6795 -5.6795 -2.5201 -2.5201 -2.5187 -2.5187 -0.6980 -0.6980 -0.6973 -0.6973 -0.1397 -0.1397 -0.1388 -0.1388 7.4066 7.4066 7.4068 7.4068 8.6184 8.6184 8.6187 8.6187 k = 0.1724 0.1794 0.3976 ( 3130 PWs) bands (ev): -16.6506 -16.6506 -16.6506 -16.6506 -7.2249 -7.2249 -7.2238 -7.2238 -6.3076 -6.3076 -6.3044 -6.3044 -5.6949 -5.6949 -5.6903 -5.6903 -2.5316 -2.5316 -2.5302 -2.5302 -0.6997 -0.6997 -0.6990 -0.6990 -0.1348 -0.1348 -0.1339 -0.1339 7.3817 7.3817 7.3818 7.3818 8.6101 8.6101 8.6103 8.6103 k = 0.1634 0.1699 0.3976 ( 3134 PWs) bands (ev): -16.6543 -16.6543 -16.6543 -16.6543 -7.2072 -7.2072 -7.2061 -7.2061 -6.2905 -6.2905 -6.2871 -6.2871 -5.7078 -5.7078 -5.7029 -5.7029 -2.5428 -2.5428 -2.5416 -2.5416 -0.7005 -0.7005 -0.6998 -0.6998 -0.1305 -0.1305 -0.1296 -0.1296 7.3621 7.3621 7.3621 7.3621 8.5984 8.5984 8.5987 8.5987 k = 0.1543 0.1605 0.3976 ( 3142 PWs) bands (ev): -16.6580 -16.6580 -16.6580 -16.6580 -7.1882 -7.1882 -7.1871 -7.1871 -6.2743 -6.2743 -6.2705 -6.2705 -5.7223 -5.7223 -5.7173 -5.7173 -2.5538 -2.5538 -2.5527 -2.5527 -0.7006 -0.7006 -0.6999 -0.6999 -0.1269 -0.1269 -0.1260 -0.1260 7.3477 7.3477 7.3478 7.3478 8.5834 8.5834 8.5837 8.5837 k = 0.1452 0.1511 0.3976 ( 3146 PWs) bands (ev): -16.6615 -16.6615 -16.6615 -16.6615 -7.1681 -7.1681 -7.1671 -7.1671 -6.2588 -6.2588 -6.2548 -6.2548 -5.7383 -5.7383 -5.7331 -5.7331 -2.5644 -2.5644 -2.5633 -2.5633 -0.7000 -0.7000 -0.6993 -0.6993 -0.1241 -0.1241 -0.1232 -0.1232 7.3386 7.3386 7.3388 7.3388 8.5652 8.5652 8.5655 8.5655 k = 0.1361 0.1416 0.3976 ( 3146 PWs) bands (ev): -16.6649 -16.6649 -16.6649 -16.6649 -7.1470 -7.1470 -7.1460 -7.1460 -6.2443 -6.2443 -6.2399 -6.2399 -5.7556 -5.7556 -5.7501 -5.7501 -2.5745 -2.5745 -2.5735 -2.5735 -0.6988 -0.6988 -0.6980 -0.6980 -0.1220 -0.1220 -0.1211 -0.1211 7.3349 7.3349 7.3351 7.3351 8.5437 8.5437 8.5440 8.5440 k = 0.1271 0.1322 0.3976 ( 3138 PWs) bands (ev): -16.6681 -16.6681 -16.6681 -16.6681 -7.1251 -7.1251 -7.1241 -7.1241 -6.2309 -6.2309 -6.2261 -6.2261 -5.7739 -5.7739 -5.7682 -5.7682 -2.5841 -2.5841 -2.5832 -2.5832 -0.6969 -0.6969 -0.6961 -0.6961 -0.1207 -0.1207 -0.1198 -0.1198 7.3364 7.3364 7.3367 7.3367 8.5189 8.5189 8.5193 8.5193 k = 0.1180 0.1227 0.3976 ( 3138 PWs) bands (ev): -16.6712 -16.6712 -16.6712 -16.6712 -7.1025 -7.1025 -7.1015 -7.1015 -6.2186 -6.2186 -6.2135 -6.2135 -5.7930 -5.7930 -5.7870 -5.7870 -2.5931 -2.5931 -2.5922 -2.5922 -0.6946 -0.6946 -0.6938 -0.6938 -0.1202 -0.1202 -0.1194 -0.1194 7.3430 7.3430 7.3434 7.3434 8.4909 8.4909 8.4914 8.4914 k = 0.1089 0.1133 0.3976 ( 3130 PWs) bands (ev): -16.6740 -16.6740 -16.6740 -16.6740 -7.0795 -7.0795 -7.0785 -7.0785 -6.2075 -6.2075 -6.2022 -6.2022 -5.8124 -5.8124 -5.8062 -5.8062 -2.6015 -2.6015 -2.6007 -2.6007 -0.6917 -0.6917 -0.6909 -0.6909 -0.1205 -0.1205 -0.1197 -0.1197 7.3547 7.3547 7.3551 7.3551 8.4597 8.4597 8.4603 8.4603 k = 0.0998 0.1039 0.3976 ( 3132 PWs) bands (ev): -16.6767 -16.6767 -16.6767 -16.6767 -7.0563 -7.0563 -7.0553 -7.0553 -6.1979 -6.1979 -6.1922 -6.1922 -5.8319 -5.8319 -5.8256 -5.8256 -2.6093 -2.6093 -2.6085 -2.6085 -0.6885 -0.6885 -0.6877 -0.6877 -0.1215 -0.1215 -0.1207 -0.1207 7.3712 7.3712 7.3717 7.3717 8.4255 8.4255 8.4261 8.4261 k = 0.0908 0.0944 0.3976 ( 3132 PWs) bands (ev): -16.6792 -16.6792 -16.6792 -16.6792 -7.0331 -7.0331 -7.0321 -7.0321 -6.1898 -6.1898 -6.1839 -6.1839 -5.8511 -5.8511 -5.8446 -5.8446 -2.6163 -2.6163 -2.6157 -2.6157 -0.6850 -0.6850 -0.6842 -0.6842 -0.1231 -0.1231 -0.1223 -0.1223 7.3922 7.3922 7.3928 7.3928 8.3883 8.3883 8.3890 8.3890 k = 0.0817 0.0850 0.3976 ( 3132 PWs) bands (ev): -16.6815 -16.6815 -16.6815 -16.6815 -7.0102 -7.0102 -7.0093 -7.0093 -6.1833 -6.1833 -6.1772 -6.1772 -5.8695 -5.8695 -5.8629 -5.8629 -2.6227 -2.6227 -2.6221 -2.6221 -0.6813 -0.6813 -0.6806 -0.6806 -0.1251 -0.1251 -0.1245 -0.1245 7.4175 7.4175 7.4181 7.4181 8.3484 8.3484 8.3491 8.3491 k = 0.0726 0.0755 0.3976 ( 3124 PWs) bands (ev): -16.6836 -16.6836 -16.6836 -16.6836 -6.9880 -6.9880 -6.9871 -6.9871 -6.1784 -6.1784 -6.1722 -6.1722 -5.8866 -5.8866 -5.8801 -5.8801 -2.6284 -2.6284 -2.6279 -2.6279 -0.6776 -0.6776 -0.6769 -0.6769 -0.1276 -0.1276 -0.1269 -0.1269 7.4467 7.4467 7.4473 7.4473 8.3062 8.3062 8.3069 8.3069 k = 0.0635 0.0661 0.3976 ( 3116 PWs) bands (ev): -16.6854 -16.6854 -16.6854 -16.6854 -6.9668 -6.9668 -6.9660 -6.9660 -6.1751 -6.1751 -6.1691 -6.1691 -5.9021 -5.9021 -5.8958 -5.8958 -2.6334 -2.6334 -2.6329 -2.6329 -0.6738 -0.6738 -0.6732 -0.6732 -0.1302 -0.1302 -0.1296 -0.1296 7.4792 7.4792 7.4798 7.4798 8.2621 8.2621 8.2628 8.2628 k = 0.0545 0.0566 0.3976 ( 3128 PWs) bands (ev): -16.6870 -16.6870 -16.6870 -16.6870 -6.9471 -6.9471 -6.9463 -6.9463 -6.1735 -6.1735 -6.1677 -6.1677 -5.9156 -5.9156 -5.9097 -5.9097 -2.6377 -2.6377 -2.6373 -2.6373 -0.6703 -0.6703 -0.6697 -0.6697 -0.1330 -0.1330 -0.1324 -0.1324 7.5144 7.5144 7.5150 7.5150 8.2167 8.2167 8.2175 8.2175 k = 0.0454 0.0472 0.3976 ( 3132 PWs) bands (ev): -16.6884 -16.6884 -16.6884 -16.6884 -6.9293 -6.9293 -6.9286 -6.9286 -6.1731 -6.1731 -6.1679 -6.1679 -5.9269 -5.9269 -5.9216 -5.9216 -2.6414 -2.6414 -2.6410 -2.6410 -0.6670 -0.6670 -0.6665 -0.6665 -0.1356 -0.1356 -0.1352 -0.1352 7.5514 7.5514 7.5521 7.5521 8.1709 8.1709 8.1717 8.1717 k = 0.0363 0.0378 0.3976 ( 3128 PWs) bands (ev): -16.6895 -16.6895 -16.6895 -16.6895 -6.9138 -6.9138 -6.9132 -6.9132 -6.1737 -6.1737 -6.1692 -6.1692 -5.9358 -5.9358 -5.9313 -5.9313 -2.6443 -2.6443 -2.6440 -2.6440 -0.6641 -0.6641 -0.6637 -0.6637 -0.1380 -0.1380 -0.1376 -0.1376 7.5890 7.5890 7.5897 7.5897 8.1261 8.1261 8.1268 8.1268 k = 0.0272 0.0283 0.3976 ( 3128 PWs) bands (ev): -16.6904 -16.6904 -16.6904 -16.6904 -6.9011 -6.9011 -6.9007 -6.9007 -6.1748 -6.1748 -6.1712 -6.1712 -5.9424 -5.9424 -5.9388 -5.9388 -2.6466 -2.6466 -2.6464 -2.6464 -0.6617 -0.6617 -0.6614 -0.6614 -0.1400 -0.1400 -0.1398 -0.1398 7.6254 7.6254 7.6260 7.6260 8.0841 8.0841 8.0848 8.0848 k = 0.0182 0.0189 0.3976 ( 3118 PWs) bands (ev): -16.6910 -16.6910 -16.6910 -16.6910 -6.8917 -6.8917 -6.8914 -6.8914 -6.1758 -6.1758 -6.1734 -6.1734 -5.9467 -5.9467 -5.9443 -5.9443 -2.6482 -2.6482 -2.6480 -2.6480 -0.6598 -0.6598 -0.6596 -0.6596 -0.1415 -0.1415 -0.1413 -0.1413 7.6574 7.6574 7.6579 7.6579 8.0482 8.0482 8.0487 8.0487 k = 0.0091 0.0094 0.3976 ( 3126 PWs) bands (ev): -16.6914 -16.6914 -16.6914 -16.6914 -6.8859 -6.8859 -6.8857 -6.8857 -6.1764 -6.1764 -6.1752 -6.1752 -5.9490 -5.9490 -5.9477 -5.9477 -2.6491 -2.6491 -2.6491 -2.6491 -0.6587 -0.6587 -0.6586 -0.6586 -0.1425 -0.1425 -0.1424 -0.1424 7.6805 7.6805 7.6807 7.6807 8.0228 8.0228 8.0231 8.0231 k = 0.0000 0.0000 0.3976 ( 3106 PWs) bands (ev): -16.6915 -16.6915 -16.6915 -16.6915 -6.8838 -6.8838 -6.8838 -6.8838 -6.1762 -6.1762 -6.1762 -6.1762 -5.9492 -5.9492 -5.9492 -5.9492 -2.6494 -2.6494 -2.6494 -2.6494 -0.6583 -0.6583 -0.6583 -0.6583 -0.1427 -0.1427 -0.1427 -0.1427 7.6892 7.6892 7.6892 7.6892 8.0136 8.0136 8.0136 8.0136 k = 0.0000 0.0000 0.3976 ( 3106 PWs) bands (ev): -16.6915 -16.6915 -16.6915 -16.6915 -6.8838 -6.8838 -6.8838 -6.8838 -6.1762 -6.1762 -6.1762 -6.1762 -5.9492 -5.9492 -5.9492 -5.9492 -2.6494 -2.6494 -2.6494 -2.6494 -0.6583 -0.6583 -0.6583 -0.6583 -0.1427 -0.1427 -0.1427 -0.1427 7.6892 7.6892 7.6892 7.6892 8.0136 8.0136 8.0136 8.0136 k = 0.0000 0.0000 0.3848 ( 3112 PWs) bands (ev): -16.7031 -16.7031 -16.6799 -16.6799 -6.8996 -6.8996 -6.8670 -6.8670 -6.1779 -6.1779 -6.1746 -6.1746 -5.9588 -5.9588 -5.9397 -5.9397 -2.6894 -2.6894 -2.6101 -2.6101 -0.6917 -0.6917 -0.6244 -0.6244 -0.1911 -0.1911 -0.0962 -0.0962 7.6514 7.6514 7.7316 7.7316 8.0058 8.0058 8.0227 8.0227 k = 0.0000 0.0000 0.3719 ( 3112 PWs) bands (ev): -16.7147 -16.7147 -16.6683 -16.6683 -6.9142 -6.9142 -6.8490 -6.8490 -6.1797 -6.1797 -6.1730 -6.1730 -5.9684 -5.9684 -5.9302 -5.9302 -2.7302 -2.7302 -2.5718 -2.5718 -0.7245 -0.7245 -0.5900 -0.5900 -0.2411 -0.2411 -0.0518 -0.0518 7.6183 7.6183 7.7783 7.7783 7.9993 7.9993 8.0331 8.0331 k = 0.0000 0.0000 0.3591 ( 3112 PWs) bands (ev): -16.7262 -16.7262 -16.6568 -16.6568 -6.9276 -6.9276 -6.8301 -6.8301 -6.1815 -6.1815 -6.1714 -6.1714 -5.9779 -5.9779 -5.9208 -5.9208 -2.7716 -2.7716 -2.5343 -2.5343 -0.7568 -0.7568 -0.5553 -0.5553 -0.2925 -0.2925 -0.0096 -0.0096 7.5901 7.5901 7.8291 7.8291 7.9941 7.9941 8.0448 8.0448 k = 0.0000 0.0000 0.3463 ( 3120 PWs) bands (ev): -16.7376 -16.7376 -16.6454 -16.6454 -6.9398 -6.9398 -6.8103 -6.8103 -6.1833 -6.1833 -6.1700 -6.1700 -5.9871 -5.9871 -5.9118 -5.9118 -2.8136 -2.8136 -2.4978 -2.4978 -0.7883 -0.7883 -0.5204 -0.5204 -0.3451 -0.3451 0.0302 0.0302 7.5669 7.5669 7.8837 7.8837 7.9901 7.9901 8.0578 8.0578 k = 0.0000 0.0000 0.3335 ( 3123 PWs) bands (ev): -16.7489 -16.7489 -16.6341 -16.6341 -6.9508 -6.9508 -6.7897 -6.7897 -6.1852 -6.1852 -6.1686 -6.1686 -5.9960 -5.9960 -5.9030 -5.9030 -2.8561 -2.8561 -2.4623 -2.4623 -0.8191 -0.8191 -0.4853 -0.4853 -0.3984 -0.3984 0.0674 0.0674 7.5488 7.5488 7.9416 7.9416 7.9873 7.9873 8.0721 8.0721 k = 0.0000 0.0000 0.3206 ( 3121 PWs) bands (ev): -16.7601 -16.7601 -16.6229 -16.6229 -6.9605 -6.9605 -6.7684 -6.7684 -6.1871 -6.1871 -6.1672 -6.1672 -6.0044 -6.0044 -5.8945 -5.8945 -2.8991 -2.8991 -2.4280 -2.4280 -0.8491 -0.8491 -0.4524 -0.4524 -0.4500 -0.4500 0.1020 0.1020 7.5356 7.5356 7.9857 7.9857 8.0024 8.0024 8.0876 8.0876 k = 0.0000 0.0000 0.3078 ( 3125 PWs) bands (ev): -16.7711 -16.7711 -16.6119 -16.6119 -6.9690 -6.9690 -6.7466 -6.7466 -6.1891 -6.1891 -6.1660 -6.1660 -6.0123 -6.0123 -5.8865 -5.8865 -2.9423 -2.9423 -2.3948 -2.3948 -0.8781 -0.8781 -0.5065 -0.5065 -0.4149 -0.4149 0.1338 0.1338 7.5273 7.5273 7.9851 7.9851 8.0658 8.0658 8.1043 8.1043 k = 0.0000 0.0000 0.2950 ( 3129 PWs) bands (ev): -16.7818 -16.7818 -16.6011 -16.6011 -6.9762 -6.9762 -6.7244 -6.7244 -6.1910 -6.1910 -6.1648 -6.1648 -6.0196 -6.0196 -5.8789 -5.8789 -2.9858 -2.9858 -2.3628 -2.3628 -0.9063 -0.9063 -0.5606 -0.5606 -0.3798 -0.3798 0.1630 0.1630 7.5238 7.5238 7.9855 7.9855 8.1222 8.1222 8.1312 8.1312 k = 0.0000 0.0000 0.2822 ( 3129 PWs) bands (ev): -16.7923 -16.7923 -16.5905 -16.5905 -6.9823 -6.9823 -6.7019 -6.7019 -6.1930 -6.1930 -6.1637 -6.1637 -6.0261 -6.0261 -5.8719 -5.8719 -3.0294 -3.0294 -2.3321 -2.3321 -0.9335 -0.9335 -0.6144 -0.6144 -0.3450 -0.3450 0.1894 0.1894 7.5248 7.5248 7.9869 7.9869 8.1412 8.1412 8.1981 8.1981 k = 0.0000 0.0000 0.2693 ( 3137 PWs) bands (ev): -16.8026 -16.8026 -16.5802 -16.5802 -6.9873 -6.9873 -6.6794 -6.6794 -6.1949 -6.1949 -6.1627 -6.1627 -6.0318 -6.0318 -5.8654 -5.8654 -3.0731 -3.0731 -2.3028 -2.3028 -0.9598 -0.9598 -0.6676 -0.6676 -0.3105 -0.3105 0.2131 0.2131 7.5301 7.5301 7.9892 7.9892 8.1611 8.1611 8.2660 8.2660 k = 0.0000 0.0000 0.2565 ( 3133 PWs) bands (ev): -16.8125 -16.8125 -16.5702 -16.5702 -6.9911 -6.9911 -6.6571 -6.6571 -6.1968 -6.1968 -6.1617 -6.1617 -6.0364 -6.0364 -5.8594 -5.8594 -3.1166 -3.1166 -2.2748 -2.2748 -0.9850 -0.9850 -0.7198 -0.7198 -0.2765 -0.2765 0.2343 0.2343 7.5394 7.5394 7.9923 7.9923 8.1819 8.1819 8.3344 8.3344 k = 0.0000 0.0000 0.2437 ( 3135 PWs) bands (ev): -16.8222 -16.8222 -16.5605 -16.5605 -6.9938 -6.9938 -6.6351 -6.6351 -6.1987 -6.1987 -6.1608 -6.1608 -6.0398 -6.0398 -5.8540 -5.8540 -3.1600 -3.1600 -2.2483 -2.2483 -1.0092 -1.0092 -0.7708 -0.7708 -0.2430 -0.2430 0.2529 0.2529 7.5523 7.5523 7.9961 7.9961 8.2035 8.2035 8.4026 8.4026 k = 0.0000 0.0000 0.2309 ( 3135 PWs) bands (ev): -16.8315 -16.8315 -16.5512 -16.5512 -6.9956 -6.9956 -6.6137 -6.6137 -6.2005 -6.2005 -6.1599 -6.1599 -6.0421 -6.0421 -5.8492 -5.8492 -3.2030 -3.2030 -2.2232 -2.2232 -1.0322 -1.0322 -0.8204 -0.8204 -0.2102 -0.2102 0.2691 0.2691 7.5685 7.5685 8.0006 8.0006 8.2258 8.2258 8.4700 8.4700 k = 0.0000 0.0000 0.2180 ( 3135 PWs) bands (ev): -16.8404 -16.8404 -16.5422 -16.5422 -6.9964 -6.9964 -6.5931 -6.5931 -6.2023 -6.2023 -6.1592 -6.1592 -6.0429 -6.0429 -5.8450 -5.8450 -3.2454 -3.2454 -2.1998 -2.1998 -1.0541 -1.0541 -0.8683 -0.8683 -0.1783 -0.1783 0.2831 0.2831 7.5875 7.5875 8.0055 8.0055 8.2485 8.2485 8.5360 8.5360 k = 0.0000 0.0000 0.2052 ( 3135 PWs) bands (ev): -16.8490 -16.8490 -16.5335 -16.5335 -6.9964 -6.9964 -6.5735 -6.5735 -6.2041 -6.2041 -6.1585 -6.1585 -6.0422 -6.0422 -5.8414 -5.8414 -3.2872 -3.2872 -2.1779 -2.1779 -1.0749 -1.0749 -0.9141 -0.9141 -0.1473 -0.1473 0.2949 0.2949 7.6089 7.6089 8.0110 8.0110 8.2716 8.2716 8.6001 8.6001 k = 0.0000 0.0000 0.1924 ( 3135 PWs) bands (ev): -16.8572 -16.8572 -16.5253 -16.5253 -6.9956 -6.9956 -6.5552 -6.5552 -6.2058 -6.2058 -6.1579 -6.1579 -6.0401 -6.0401 -5.8383 -5.8383 -3.3281 -3.3281 -2.1577 -2.1577 -1.0946 -1.0946 -0.9578 -0.9578 -0.1173 -0.1173 0.3048 0.3048 7.6321 7.6321 8.0167 8.0167 8.2949 8.2949 8.6614 8.6614 k = 0.0000 0.0000 0.1796 ( 3143 PWs) bands (ev): -16.8649 -16.8649 -16.5176 -16.5176 -6.9941 -6.9941 -6.5384 -6.5384 -6.2074 -6.2074 -6.1573 -6.1573 -6.0363 -6.0363 -5.8359 -5.8359 -3.3680 -3.3680 -2.1391 -2.1391 -1.1130 -1.1130 -0.9991 -0.9991 -0.0886 -0.0886 0.3129 0.3129 7.6568 7.6568 8.0227 8.0227 8.3182 8.3182 8.7195 8.7195 k = 0.0000 0.0000 0.1667 ( 3135 PWs) bands (ev): -16.8722 -16.8722 -16.5102 -16.5102 -6.9921 -6.9921 -6.5230 -6.5230 -6.2089 -6.2089 -6.1568 -6.1568 -6.0310 -6.0310 -5.8339 -5.8339 -3.4066 -3.4066 -2.1222 -2.1222 -1.1302 -1.1302 -1.0378 -1.0378 -0.0612 -0.0612 0.3195 0.3195 7.6823 7.6823 8.0289 8.0289 8.3413 8.3413 8.7737 8.7737 k = 0.0000 0.0000 0.1539 ( 3139 PWs) bands (ev): -16.8790 -16.8790 -16.5034 -16.5034 -6.9896 -6.9896 -6.5094 -6.5094 -6.2104 -6.2104 -6.1563 -6.1563 -6.0244 -6.0244 -5.8325 -5.8325 -3.4438 -3.4438 -2.1071 -2.1071 -1.1463 -1.1463 -1.0737 -1.0737 -0.0352 -0.0352 0.3247 0.3247 7.7082 7.7082 8.0351 8.0351 8.3640 8.3640 8.8236 8.8236 k = 0.0000 0.0000 0.1411 ( 3149 PWs) bands (ev): -16.8854 -16.8854 -16.4970 -16.4970 -6.9867 -6.9867 -6.4974 -6.4974 -6.2118 -6.2118 -6.1559 -6.1559 -6.0165 -6.0165 -5.8315 -5.8315 -3.4793 -3.4793 -2.0936 -2.0936 -1.1610 -1.1610 -1.1069 -1.1069 -0.0108 -0.0108 0.3287 0.3287 7.7341 7.7341 8.0412 8.0412 8.3860 8.3860 8.8687 8.8687 k = 0.0000 0.0000 0.1283 ( 3153 PWs) bands (ev): -16.8912 -16.8912 -16.4911 -16.4911 -6.9836 -6.9836 -6.4871 -6.4871 -6.2131 -6.2131 -6.1556 -6.1556 -6.0076 -6.0076 -5.8309 -5.8309 -3.5128 -3.5128 -2.0817 -2.0817 -1.1746 -1.1746 -1.1370 -1.1370 0.0120 0.0120 0.3316 0.3316 7.7594 7.7594 8.0472 8.0472 8.4071 8.4071 8.9088 8.9088 k = 0.0000 0.0000 0.1154 ( 3145 PWs) bands (ev): -16.8965 -16.8965 -16.4857 -16.4857 -6.9804 -6.9804 -6.4783 -6.4783 -6.2143 -6.2143 -6.1553 -6.1553 -5.9980 -5.9980 -5.8306 -5.8306 -3.5442 -3.5442 -2.0714 -2.0714 -1.1868 -1.1868 -1.1642 -1.1642 0.0329 0.0329 0.3337 0.3337 7.7837 7.7837 8.0530 8.0530 8.4272 8.4272 8.9437 8.9437 k = 0.0000 0.0000 0.1026 ( 3153 PWs) bands (ev): -16.9014 -16.9014 -16.4809 -16.4809 -6.9771 -6.9771 -6.4710 -6.4710 -6.2153 -6.2153 -6.1550 -6.1550 -5.9880 -5.9880 -5.8306 -5.8306 -3.5732 -3.5732 -2.0627 -2.0627 -1.1979 -1.1979 -1.1883 -1.1883 0.0520 0.0520 0.3351 0.3351 7.8066 7.8066 8.0584 8.0584 8.4460 8.4460 8.9735 8.9735 k = 0.0000 0.0000 0.0898 ( 3149 PWs) bands (ev): -16.9056 -16.9056 -16.4766 -16.4766 -6.9739 -6.9739 -6.4650 -6.4650 -6.2163 -6.2163 -6.1548 -6.1548 -5.9781 -5.9781 -5.8308 -5.8308 -3.5994 -3.5994 -2.0554 -2.0554 -1.2095 -1.2095 -1.2075 -1.2075 0.0690 0.0690 0.3360 0.3360 7.8277 7.8277 8.0634 8.0634 8.4632 8.4632 8.9985 8.9985 k = 0.0000 0.0000 0.0770 ( 3149 PWs) bands (ev): -16.9094 -16.9094 -16.4728 -16.4728 -6.9709 -6.9709 -6.4601 -6.4601 -6.2171 -6.2171 -6.1546 -6.1546 -5.9686 -5.9686 -5.8311 -5.8311 -3.6228 -3.6228 -2.0493 -2.0493 -1.2275 -1.2275 -1.2160 -1.2160 0.0840 0.0840 0.3365 0.3365 7.8467 7.8467 8.0679 8.0679 8.4786 8.4786 9.0188 9.0188 k = 0.0000 0.0000 0.0641 ( 3149 PWs) bands (ev): -16.9125 -16.9125 -16.4697 -16.4697 -6.9682 -6.9682 -6.4563 -6.4563 -6.2179 -6.2179 -6.1544 -6.1544 -5.9598 -5.9598 -5.8315 -5.8315 -3.6431 -3.6431 -2.0445 -2.0445 -1.2426 -1.2426 -1.2232 -1.2232 0.0968 0.0968 0.3367 0.3367 7.8633 7.8633 8.0718 8.0718 8.4920 8.4920 9.0350 9.0350 k = 0.0000 0.0000 0.0513 ( 3153 PWs) bands (ev): -16.9151 -16.9151 -16.4670 -16.4670 -6.9658 -6.9658 -6.4534 -6.4534 -6.2185 -6.2185 -6.1543 -6.1543 -5.9521 -5.9521 -5.8319 -5.8319 -3.6600 -3.6600 -2.0408 -2.0408 -1.2549 -1.2549 -1.2291 -1.2291 0.1074 0.1074 0.3367 0.3367 7.8772 7.8772 8.0751 8.0751 8.5033 8.5033 9.0476 9.0476 k = 0.0000 0.0000 0.0385 ( 3151 PWs) bands (ev): -16.9171 -16.9171 -16.4650 -16.4650 -6.9639 -6.9639 -6.4512 -6.4512 -6.2189 -6.2189 -6.1542 -6.1542 -5.9458 -5.9458 -5.8323 -5.8323 -3.6733 -3.6733 -2.0380 -2.0380 -1.2643 -1.2643 -1.2336 -1.2336 0.1157 0.1157 0.3366 0.3366 7.8883 7.8883 8.0778 8.0778 8.5123 8.5123 9.0568 9.0568 k = 0.0000 0.0000 0.0257 ( 3155 PWs) bands (ev): -16.9186 -16.9186 -16.4635 -16.4635 -6.9625 -6.9625 -6.4497 -6.4497 -6.2193 -6.2193 -6.1541 -6.1541 -5.9412 -5.9412 -5.8326 -5.8326 -3.6830 -3.6830 -2.0361 -2.0361 -1.2710 -1.2710 -1.2369 -1.2369 0.1216 0.1216 0.3365 0.3365 7.8963 7.8963 8.0797 8.0797 8.5188 8.5188 9.0631 9.0631 k = 0.0000 0.0000 0.0128 ( 3155 PWs) bands (ev): -16.9195 -16.9195 -16.4627 -16.4627 -6.9617 -6.9617 -6.4488 -6.4488 -6.2195 -6.2195 -6.1541 -6.1541 -5.9383 -5.9383 -5.8328 -5.8328 -3.6888 -3.6888 -2.0350 -2.0350 -1.2750 -1.2750 -1.2389 -1.2389 0.1252 0.1252 0.3364 0.3364 7.9011 7.9011 8.0808 8.0808 8.5227 8.5227 9.0668 9.0668 k = 0.0000 0.0000 0.0000 ( 3159 PWs) bands (ev): -16.9198 -16.9198 -16.4624 -16.4624 -6.9614 -6.9614 -6.4486 -6.4486 -6.2196 -6.2196 -6.1541 -6.1541 -5.9373 -5.9373 -5.8329 -5.8329 -3.6908 -3.6908 -2.0346 -2.0346 -1.2763 -1.2763 -1.2395 -1.2395 0.1264 0.1264 0.3364 0.3364 7.9028 7.9028 8.0812 8.0812 8.5240 8.5240 9.0680 9.0680 k = 0.0000 0.0000 0.0000 ( 3159 PWs) bands (ev): -16.9198 -16.9198 -16.4624 -16.4624 -6.9614 -6.9614 -6.4486 -6.4486 -6.2196 -6.2196 -6.1541 -6.1541 -5.9373 -5.9373 -5.8329 -5.8329 -3.6908 -3.6908 -2.0346 -2.0346 -1.2763 -1.2763 -1.2395 -1.2395 0.1264 0.1264 0.3364 0.3364 7.9028 7.9028 8.0812 8.0812 8.5240 8.5240 9.0680 9.0680 k =-0.0094 0.0091 0.0000 ( 3157 PWs) bands (ev): -16.9195 -16.9195 -16.4624 -16.4624 -6.9607 -6.9607 -6.4522 -6.4521 -6.2251 -6.2251 -6.1497 -6.1497 -5.9461 -5.9438 -5.8240 -5.8213 -3.6903 -3.6900 -2.0343 -2.0341 -1.2761 -1.2760 -1.2387 -1.2387 0.1261 0.1261 0.3347 0.3348 7.8956 7.8957 8.0752 8.0752 8.5344 8.5344 9.0746 9.0747 k =-0.0189 0.0181 0.0000 ( 3153 PWs) bands (ev): -16.9187 -16.9187 -16.4625 -16.4625 -6.9586 -6.9586 -6.4629 -6.4627 -6.2388 -6.2388 -6.1394 -6.1394 -5.9636 -5.9602 -5.8000 -5.7960 -3.6885 -3.6880 -2.0330 -2.0327 -1.2754 -1.2754 -1.2360 -1.2360 0.1252 0.1252 0.3298 0.3299 7.8749 7.8750 8.0589 8.0589 8.5640 8.5640 9.0940 9.0942 k =-0.0283 0.0272 0.0000 ( 3157 PWs) bands (ev): -16.9174 -16.9174 -16.4626 -16.4626 -6.9552 -6.9551 -6.4802 -6.4799 -6.2569 -6.2569 -6.1271 -6.1270 -5.9830 -5.9793 -5.7689 -5.7644 -3.6854 -3.6846 -2.0309 -2.0304 -1.2743 -1.2742 -1.2318 -1.2318 0.1236 0.1236 0.3217 0.3218 7.8421 7.8422 8.0360 8.0360 8.6090 8.6090 9.1245 9.1248 k =-0.0377 0.0363 0.0000 ( 3155 PWs) bands (ev): -16.9155 -16.9155 -16.4628 -16.4628 -6.9503 -6.9502 -6.5033 -6.5029 -6.2775 -6.2775 -6.1145 -6.1144 -6.0015 -5.9978 -5.7346 -5.7297 -3.6808 -3.6797 -2.0281 -2.0275 -1.2727 -1.2725 -1.2258 -1.2258 0.1214 0.1214 0.3104 0.3106 7.7995 7.7996 8.0099 8.0099 8.6659 8.6659 9.1639 9.1643 k =-0.0472 0.0453 0.0000 ( 3153 PWs) bands (ev): -16.9131 -16.9131 -16.4631 -16.4631 -6.9441 -6.9440 -6.5315 -6.5310 -6.2998 -6.2998 -6.1024 -6.1022 -6.0182 -6.0147 -5.6991 -5.6941 -3.6746 -3.6733 -2.0249 -2.0241 -1.2706 -1.2704 -1.2181 -1.2181 0.1186 0.1186 0.2960 0.2963 7.7492 7.7493 7.9835 7.9835 8.7318 8.7318 9.2098 9.2104 k =-0.0566 0.0544 0.0000 ( 3165 PWs) bands (ev): -16.9102 -16.9102 -16.4634 -16.4634 -6.9366 -6.9364 -6.5638 -6.5632 -6.3236 -6.3236 -6.0912 -6.0909 -6.0332 -6.0298 -5.6636 -5.6584 -3.6665 -3.6649 -2.0214 -2.0205 -1.2678 -1.2676 -1.2089 -1.2089 0.1151 0.1151 0.2787 0.2789 7.6934 7.6935 7.9585 7.9585 8.8049 8.8049 9.2601 9.2607 k =-0.0660 0.0635 0.0000 ( 3156 PWs) bands (ev): -16.9068 -16.9068 -16.4638 -16.4638 -6.9277 -6.9274 -6.5994 -6.5986 -6.3485 -6.3484 -6.0809 -6.0803 -6.0464 -6.0434 -5.6288 -5.6235 -3.6564 -3.6545 -2.0179 -2.0168 -1.2644 -1.2641 -1.1981 -1.1981 0.1111 0.1111 0.2586 0.2589 7.6339 7.6340 7.9361 7.9361 8.8840 8.8840 9.3128 9.3136 k =-0.0755 0.0725 0.0000 ( 3144 PWs) bands (ev): -16.9029 -16.9029 -16.4642 -16.4642 -6.9174 -6.9171 -6.6373 -6.6364 -6.3744 -6.3743 -6.0723 -6.0708 -6.0576 -6.0557 -5.5955 -5.5900 -3.6439 -3.6417 -2.0147 -2.0135 -1.2603 -1.2599 -1.1859 -1.1859 0.1065 0.1065 0.2359 0.2362 7.5723 7.5724 7.9170 7.9170 8.9681 8.9681 9.3665 9.3674 k =-0.0849 0.0816 0.0000 ( 3152 PWs) bands (ev): -16.8986 -16.8986 -16.4648 -16.4648 -6.9059 -6.9055 -6.6770 -6.6760 -6.4012 -6.4012 -6.0723 -6.0670 -6.0622 -6.0602 -5.5643 -5.5587 -3.6289 -3.6265 -2.0122 -2.0108 -1.2554 -1.2550 -1.1724 -1.1723 0.1012 0.1013 0.2107 0.2110 7.5096 7.5097 7.9018 7.9018 9.0567 9.0567 9.4199 9.4209 k =-0.0943 0.0907 0.0000 ( 3148 PWs) bands (ev): -16.8938 -16.8937 -16.4653 -16.4653 -6.8930 -6.8927 -6.7178 -6.7167 -6.4289 -6.4288 -6.0815 -6.0774 -6.0547 -6.0539 -5.5355 -5.5298 -3.6111 -3.6085 -2.0105 -2.0089 -1.2497 -1.2492 -1.1575 -1.1575 0.0956 0.0956 0.1832 0.1836 7.4470 7.4471 7.8908 7.8908 9.1491 9.1491 9.4722 9.4732 k =-0.1038 0.0998 0.0000 ( 3148 PWs) bands (ev): -16.8885 -16.8885 -16.4659 -16.4659 -6.8790 -6.8785 -6.7592 -6.7580 -6.4573 -6.4573 -6.0909 -6.0873 -6.0482 -6.0477 -5.5096 -5.5039 -3.5904 -3.5876 -2.0100 -2.0083 -1.2431 -1.2426 -1.1415 -1.1415 0.0894 0.0894 0.1537 0.1541 7.3853 7.3853 7.8842 7.8842 9.2450 9.2450 9.5226 9.5237 k =-0.1132 0.1088 0.0000 ( 3156 PWs) bands (ev): -16.8828 -16.8828 -16.4666 -16.4666 -6.8639 -6.8632 -6.8009 -6.7995 -6.4864 -6.4863 -6.1002 -6.0967 -6.0426 -6.0422 -5.4869 -5.4811 -3.5667 -3.5636 -2.0111 -2.0092 -1.2358 -1.2352 -1.1243 -1.1243 0.0827 0.0827 0.1223 0.1227 7.3252 7.3252 7.8821 7.8821 9.3440 9.3440 9.5707 9.5720 k =-0.1226 0.1179 0.0000 ( 3158 PWs) bands (ev): -16.8767 -16.8766 -16.4673 -16.4673 -6.8507 -6.8484 -6.8407 -6.8376 -6.5160 -6.5160 -6.1090 -6.1057 -6.0380 -6.0377 -5.4676 -5.4617 -3.5399 -3.5366 -2.0138 -2.0117 -1.2276 -1.2270 -1.1063 -1.1063 0.0756 0.0756 0.0894 0.0898 7.2672 7.2673 7.8847 7.8847 9.4456 9.4457 9.6163 9.6176 k =-0.1321 0.1270 0.0000 ( 3158 PWs) bands (ev): -16.8701 -16.8701 -16.4681 -16.4681 -6.8841 -6.8835 -6.8284 -6.8283 -6.5461 -6.5461 -6.1177 -6.1144 -6.0343 -6.0340 -5.4518 -5.4459 -3.5100 -3.5065 -2.0184 -2.0162 -1.2187 -1.2181 -1.0874 -1.0874 0.0552 0.0556 0.0681 0.0681 7.2120 7.2120 7.8920 7.8920 9.5495 9.5495 9.6591 9.6605 k =-0.1415 0.1360 0.0000 ( 3162 PWs) bands (ev): -16.8632 -16.8632 -16.4689 -16.4689 -6.9247 -6.9238 -6.8097 -6.8096 -6.5766 -6.5766 -6.1260 -6.1228 -6.0314 -6.0311 -5.4396 -5.4336 -3.4771 -3.4735 -2.0250 -2.0227 -1.2092 -1.2086 -1.0678 -1.0678 0.0200 0.0204 0.0603 0.0603 7.1600 7.1600 7.9040 7.9040 9.6551 9.6552 9.6990 9.7005 k =-0.1509 0.1451 0.0000 ( 3158 PWs) bands (ev): -16.8560 -16.8560 -16.4697 -16.4697 -6.9646 -6.9636 -6.7898 -6.7895 -6.6075 -6.6075 -6.1341 -6.1309 -6.0293 -6.0291 -5.4309 -5.4250 -3.4414 -3.4376 -2.0338 -2.0314 -1.1992 -1.1986 -1.0475 -1.0475 -0.0158 -0.0154 0.0522 0.0522 7.1116 7.1116 7.9208 7.9208 9.7357 9.7374 9.7619 9.7620 k =-0.1604 0.1542 0.0000 ( 3158 PWs) bands (ev): -16.8484 -16.8484 -16.4706 -16.4706 -7.0036 -7.0026 -6.7688 -6.7684 -6.6386 -6.6385 -6.1419 -6.1387 -6.0280 -6.0278 -5.4258 -5.4199 -3.4030 -3.3992 -2.0447 -2.0423 -1.1890 -1.1884 -1.0268 -1.0268 -0.0521 -0.0517 0.0439 0.0439 7.0671 7.0672 7.9422 7.9422 9.7689 9.7707 9.8691 9.8691 k =-0.1698 0.1632 0.0000 ( 3150 PWs) bands (ev): -16.8405 -16.8405 -16.4716 -16.4716 -7.0416 -7.0406 -6.7467 -6.7463 -6.6698 -6.6698 -6.1495 -6.1463 -6.0274 -6.0272 -5.4240 -5.4181 -3.3624 -3.3584 -2.0579 -2.0553 -1.1787 -1.1781 -1.0058 -1.0058 -0.0884 -0.0881 0.0354 0.0354 7.0269 7.0270 7.9683 7.9683 9.7977 9.7997 9.9757 9.9757 k =-0.1792 0.1723 0.0000 ( 3154 PWs) bands (ev): -16.8324 -16.8323 -16.4725 -16.4725 -7.0785 -7.0774 -6.7239 -6.7234 -6.7009 -6.7009 -6.1568 -6.1536 -6.0275 -6.0274 -5.4254 -5.4196 -3.3198 -3.3157 -2.0732 -2.0706 -1.1686 -1.1680 -0.9846 -0.9846 -0.1244 -0.1242 0.0269 0.0269 6.9914 6.9915 7.9988 7.9988 9.8206 9.8229 10.0335 10.0347 k =-0.1887 0.1814 0.0000 ( 3158 PWs) bands (ev): -16.8240 -16.8239 -16.4736 -16.4736 -7.1142 -7.1131 -6.7327 -6.7327 -6.6995 -6.6989 -6.1638 -6.1606 -6.0283 -6.0281 -5.4298 -5.4241 -3.2757 -3.2715 -2.0906 -2.0879 -1.1590 -1.1584 -0.9633 -0.9633 -0.1599 -0.1597 0.0184 0.0184 6.9606 6.9608 8.0339 8.0339 9.8341 9.8369 10.0112 10.0127 k =-0.1981 0.1904 0.0000 ( 3156 PWs) bands (ev): -16.8153 -16.8153 -16.4746 -16.4746 -7.1486 -7.1475 -6.7639 -6.7638 -6.6748 -6.6741 -6.1704 -6.1672 -6.0296 -6.0295 -5.4370 -5.4313 -3.2303 -3.2261 -2.1099 -2.1072 -1.1502 -1.1495 -0.9421 -0.9421 -0.1943 -0.1942 0.0100 0.0100 6.9350 6.9352 8.0732 8.0732 9.8320 9.8352 9.9914 9.9931 k =-0.2075 0.1995 0.0000 ( 3156 PWs) bands (ev): -16.8065 -16.8065 -16.4757 -16.4757 -7.1816 -7.1805 -6.7949 -6.7949 -6.6492 -6.6485 -6.1767 -6.1735 -6.0315 -6.0314 -5.4466 -5.4410 -3.1843 -3.1801 -2.1311 -2.1283 -1.1424 -1.1417 -0.9212 -0.9212 -0.2274 -0.2273 0.0018 0.0018 6.9147 6.9149 8.1166 8.1166 9.8089 9.8121 9.9832 9.9849 k =-0.2170 0.2086 0.0000 ( 3144 PWs) bands (ev): -16.7975 -16.7975 -16.4768 -16.4768 -7.2133 -7.2122 -6.8258 -6.8258 -6.6230 -6.6221 -6.1826 -6.1793 -6.0339 -6.0337 -5.4585 -5.4530 -3.1380 -3.1337 -2.1539 -2.1511 -1.1359 -1.1352 -0.9006 -0.9006 -0.2587 -0.2586 -0.0060 -0.0060 6.8999 6.9001 8.1641 8.1641 9.7682 9.7712 9.9862 9.9875 k =-0.2264 0.2176 0.0000 ( 3136 PWs) bands (ev): -16.7883 -16.7883 -16.4779 -16.4779 -7.2436 -7.2425 -6.8563 -6.8563 -6.5960 -6.5951 -6.1881 -6.1848 -6.0366 -6.0365 -5.4725 -5.4671 -3.0919 -3.0876 -2.1782 -2.1754 -1.1310 -1.1304 -0.8806 -0.8806 -0.2878 -0.2877 -0.0135 -0.0135 6.8907 6.8909 8.2154 8.2154 9.7177 9.7204 9.9947 9.9957 k =-0.2358 0.2267 0.0000 ( 3144 PWs) bands (ev): -16.7791 -16.7791 -16.4791 -16.4791 -7.2724 -7.2713 -6.8865 -6.8864 -6.5686 -6.5676 -6.1931 -6.1898 -6.0399 -6.0397 -5.4882 -5.4829 -3.0465 -3.0422 -2.2038 -2.2010 -1.1281 -1.1275 -0.8612 -0.8612 -0.3144 -0.3142 -0.0204 -0.0204 6.8871 6.8874 8.2703 8.2703 9.6624 9.6650 10.0049 10.0057 k =-0.2453 0.2358 0.0000 ( 3140 PWs) bands (ev): -16.7698 -16.7698 -16.4803 -16.4803 -7.2997 -7.2986 -6.9162 -6.9162 -6.5407 -6.5396 -6.1977 -6.1942 -6.0434 -6.0433 -5.5055 -5.5003 -3.0022 -2.9978 -2.2305 -2.2277 -1.1274 -1.1268 -0.8427 -0.8427 -0.3379 -0.3376 -0.0268 -0.0268 6.8894 6.8897 8.3285 8.3285 9.6053 9.6079 10.0153 10.0159 k =-0.2547 0.2448 0.0000 ( 3140 PWs) bands (ev): -16.7605 -16.7605 -16.4815 -16.4815 -7.3256 -7.3246 -6.9454 -6.9454 -6.5125 -6.5113 -6.2018 -6.1982 -6.0472 -6.0471 -5.5241 -5.5190 -2.9594 -2.9550 -2.2582 -2.2553 -1.1291 -1.1285 -0.8251 -0.8251 -0.3581 -0.3576 -0.0324 -0.0324 6.8976 6.8978 8.3899 8.3899 9.5478 9.5503 10.0252 10.0256 k =-0.2642 0.2539 0.0000 ( 3136 PWs) bands (ev): -16.7512 -16.7511 -16.4827 -16.4827 -7.3501 -7.3490 -6.9740 -6.9740 -6.4841 -6.4827 -6.2053 -6.2016 -6.0513 -6.0512 -5.5437 -5.5388 -2.9185 -2.9141 -2.2865 -2.2837 -1.1334 -1.1329 -0.8086 -0.8086 -0.3745 -0.3739 -0.0373 -0.0373 6.9116 6.9118 8.4542 8.4542 9.4908 9.4933 10.0344 10.0347 k =-0.2736 0.2630 0.0000 ( 3136 PWs) bands (ev): -16.7419 -16.7418 -16.4839 -16.4838 -7.3730 -7.3720 -7.0020 -7.0020 -6.4557 -6.4541 -6.2081 -6.2043 -6.0556 -6.0555 -5.5643 -5.5595 -2.8798 -2.8755 -2.3152 -2.3125 -1.1405 -1.1400 -0.7932 -0.7932 -0.3869 -0.3863 -0.0412 -0.0412 6.9313 6.9316 8.5211 8.5211 9.4347 9.4373 10.0428 10.0431 k =-0.2830 0.2721 0.0000 ( 3136 PWs) bands (ev): -16.7326 -16.7326 -16.4850 -16.4850 -7.3946 -7.3935 -7.0293 -7.0293 -6.4275 -6.4257 -6.2103 -6.2063 -6.0601 -6.0600 -5.5856 -5.5809 -2.8438 -2.8395 -2.3443 -2.3415 -1.1503 -1.1498 -0.7791 -0.7791 -0.3952 -0.3944 -0.0442 -0.0442 6.9569 6.9571 8.5903 8.5903 9.3801 9.3827 10.0504 10.0505 k =-0.2925 0.2811 0.0000 ( 3132 PWs) bands (ev): -16.7234 -16.7234 -16.4862 -16.4862 -7.4146 -7.4136 -7.0559 -7.0559 -6.3997 -6.3976 -6.2116 -6.2073 -6.0647 -6.0646 -5.6073 -5.6028 -2.8105 -2.8062 -2.3734 -2.3707 -1.1628 -1.1622 -0.7662 -0.7662 -0.3993 -0.3984 -0.0462 -0.0462 6.9880 6.9883 8.6616 8.6616 9.3271 9.3299 10.0571 10.0571 k =-0.3019 0.2902 0.0000 ( 3140 PWs) bands (ev): -16.7144 -16.7144 -16.4874 -16.4874 -7.4333 -7.4323 -7.0816 -7.0816 -6.3728 -6.3703 -6.2119 -6.2073 -6.0694 -6.0693 -5.6294 -5.6251 -2.7803 -2.7761 -2.4024 -2.3997 -1.1778 -1.1772 -0.7548 -0.7548 -0.3993 -0.3983 -0.0472 -0.0472 7.0247 7.0249 8.7344 8.7344 9.2760 9.2788 10.0627 10.0628 k =-0.3113 0.2993 0.0000 ( 3134 PWs) bands (ev): -16.7056 -16.7055 -16.4885 -16.4885 -7.4505 -7.4496 -7.1065 -7.1065 -6.3472 -6.3444 -6.2106 -6.2057 -6.0741 -6.0740 -5.6517 -5.6475 -2.7533 -2.7491 -2.4310 -2.4284 -1.1950 -1.1944 -0.7448 -0.7448 -0.3953 -0.3943 -0.0472 -0.0472 7.0667 7.0669 8.8086 8.8086 9.2270 9.2299 10.0672 10.0674 k =-0.3208 0.3083 0.0000 ( 3130 PWs) bands (ev): -16.6969 -16.6969 -16.4897 -16.4897 -7.4665 -7.4655 -7.1304 -7.1304 -6.3237 -6.3205 -6.2071 -6.2019 -6.0788 -6.0787 -5.6739 -5.6698 -2.7294 -2.7254 -2.4590 -2.4565 -1.2141 -1.2135 -0.7361 -0.7361 -0.3877 -0.3866 -0.0461 -0.0461 7.1139 7.1140 8.8837 8.8837 9.1800 9.1830 10.0705 10.0708 k =-0.3302 0.3174 0.0000 ( 3130 PWs) bands (ev): -16.6885 -16.6884 -16.4908 -16.4908 -7.4810 -7.4801 -7.1534 -7.1534 -6.3034 -6.3000 -6.2005 -6.1950 -6.0836 -6.0835 -5.6960 -5.6920 -2.7089 -2.7050 -2.4864 -2.4840 -1.2347 -1.2342 -0.7288 -0.7288 -0.3767 -0.3756 -0.0441 -0.0441 7.1659 7.1660 8.9592 8.9592 9.1352 9.1383 10.0725 10.0728 k =-0.3396 0.3265 0.0000 ( 3130 PWs) bands (ev): -16.6803 -16.6803 -16.4918 -16.4918 -7.4944 -7.4935 -7.1754 -7.1754 -6.2874 -6.2840 -6.1895 -6.1842 -6.0882 -6.0881 -5.7178 -5.7139 -2.6916 -2.6878 -2.5128 -2.5105 -1.2567 -1.2562 -0.7227 -0.7227 -0.3628 -0.3617 -0.0412 -0.0412 7.2226 7.2226 9.0348 9.0349 9.0927 9.0959 10.0731 10.0735 k =-0.3491 0.3355 0.0000 ( 3126 PWs) bands (ev): -16.6724 -16.6724 -16.4929 -16.4929 -7.5064 -7.5056 -7.1964 -7.1964 -6.2759 -6.2729 -6.1741 -6.1692 -6.0928 -6.0927 -5.7390 -5.7354 -2.6774 -2.6737 -2.5382 -2.5359 -1.2794 -1.2789 -0.7179 -0.7179 -0.3464 -0.3453 -0.0375 -0.0375 7.2835 7.2835 9.0522 9.0556 9.1100 9.1101 10.0721 10.0726 k =-0.3585 0.3446 0.0000 ( 3118 PWs) bands (ev): -16.6648 -16.6648 -16.4938 -16.4938 -7.5173 -7.5165 -7.2162 -7.2162 -6.2683 -6.2660 -6.1550 -6.1508 -6.0972 -6.0971 -5.7597 -5.7562 -2.6662 -2.6627 -2.5623 -2.5601 -1.3027 -1.3022 -0.7142 -0.7142 -0.3280 -0.3269 -0.0332 -0.0332 7.3484 7.3485 9.0142 9.0177 9.1843 9.1843 10.0696 10.0701 k =-0.3679 0.3537 0.0000 ( 3122 PWs) bands (ev): -16.6576 -16.6576 -16.4948 -16.4948 -7.5271 -7.5263 -7.2350 -7.2350 -6.2636 -6.2619 -6.1340 -6.1304 -6.1015 -6.1014 -5.7797 -5.7763 -2.6580 -2.6547 -2.5848 -2.5828 -1.3261 -1.3257 -0.7114 -0.7114 -0.3081 -0.3070 -0.0283 -0.0283 7.4167 7.4170 8.9782 8.9819 9.2571 9.2571 10.0655 10.0661 k =-0.3774 0.3627 0.0000 ( 3118 PWs) bands (ev): -16.6507 -16.6507 -16.4957 -16.4957 -7.5358 -7.5350 -7.2526 -7.2526 -6.2607 -6.2594 -6.1122 -6.1093 -6.1055 -6.1054 -5.7987 -5.7955 -2.6529 -2.6499 -2.6053 -2.6035 -1.3494 -1.3490 -0.7095 -0.7095 -0.2871 -0.2860 -0.0230 -0.0230 7.4882 7.4886 8.9444 8.9483 9.3279 9.3279 10.0599 10.0605 k =-0.3868 0.3718 0.0000 ( 3118 PWs) bands (ev): -16.6443 -16.6443 -16.4965 -16.4965 -7.5435 -7.5428 -7.2690 -7.2690 -6.2590 -6.2581 -6.1096 -6.1095 -6.0903 -6.0876 -5.8168 -5.8137 -2.6517 -2.6496 -2.6220 -2.6209 -1.3722 -1.3718 -0.7084 -0.7084 -0.2655 -0.2644 -0.0175 -0.0175 7.5624 7.5628 8.9127 8.9167 9.3961 9.3961 10.0529 10.0536 k =-0.3962 0.3809 0.0000 ( 3124 PWs) bands (ev): -16.6383 -16.6383 -16.4973 -16.4973 -7.5503 -7.5496 -7.2842 -7.2842 -6.2581 -6.2574 -6.1133 -6.1132 -6.0691 -6.0667 -5.8338 -5.8308 -2.6575 -2.6571 -2.6317 -2.6310 -1.3943 -1.3939 -0.7078 -0.7078 -0.2437 -0.2427 -0.0118 -0.0118 7.6386 7.6392 8.8827 8.8869 9.4612 9.4612 10.0447 10.0454 k =-0.4057 0.3899 0.0000 ( 3128 PWs) bands (ev): -16.6327 -16.6327 -16.4980 -16.4980 -7.5562 -7.5556 -7.2982 -7.2982 -6.2577 -6.2572 -6.1167 -6.1166 -6.0489 -6.0467 -5.8495 -5.8466 -2.6706 -2.6699 -2.6358 -2.6341 -1.4154 -1.4150 -0.7078 -0.7077 -0.2222 -0.2213 -0.0062 -0.0062 7.7162 7.7170 8.8545 8.8589 9.5225 9.5225 10.0355 10.0363 k =-0.4151 0.3990 0.0000 ( 3118 PWs) bands (ev): -16.6276 -16.6276 -16.4987 -16.4987 -7.5613 -7.5607 -7.3109 -7.3109 -6.2576 -6.2573 -6.1198 -6.1198 -6.0298 -6.0278 -5.8639 -5.8612 -2.6850 -2.6840 -2.6378 -2.6359 -1.4352 -1.4349 -0.7081 -0.7081 -0.2014 -0.2005 -0.0006 -0.0006 7.7946 7.7956 8.8279 8.8323 9.5795 9.5795 10.0257 10.0265 k =-0.4245 0.4081 0.0000 ( 3114 PWs) bands (ev): -16.6230 -16.6229 -16.4993 -16.4993 -7.5656 -7.5651 -7.3223 -7.3223 -6.2578 -6.2576 -6.1227 -6.1226 -6.0123 -6.0103 -5.8770 -5.8744 -2.6984 -2.6974 -2.6397 -2.6379 -1.4536 -1.4533 -0.7086 -0.7086 -0.1817 -0.1809 0.0047 0.0047 7.8729 7.8741 8.8024 8.8070 9.6316 9.6317 10.0154 10.0163 k =-0.4340 0.4171 0.0000 ( 3102 PWs) bands (ev): -16.6188 -16.6188 -16.4998 -16.4998 -7.5693 -7.5688 -7.3324 -7.3324 -6.2581 -6.2580 -6.1253 -6.1252 -5.9963 -5.9944 -5.8887 -5.8862 -2.7104 -2.7095 -2.6418 -2.6402 -1.4704 -1.4701 -0.7093 -0.7093 -0.1633 -0.1627 0.0096 0.0096 7.9501 7.9516 8.7780 8.7827 9.6785 9.6785 10.0051 10.0060 k =-0.4434 0.4262 0.0000 ( 3102 PWs) bands (ev): -16.6152 -16.6152 -16.5002 -16.5002 -7.5723 -7.5719 -7.3412 -7.3412 -6.2586 -6.2585 -6.1275 -6.1275 -5.9821 -5.9802 -5.8990 -5.8965 -2.7210 -2.7201 -2.6441 -2.6427 -1.4853 -1.4851 -0.7102 -0.7102 -0.1468 -0.1462 0.0140 0.0140 8.0251 8.0268 8.7543 8.7591 9.7196 9.7196 9.9950 9.9959 k =-0.4528 0.4353 0.0000 ( 3098 PWs) bands (ev): -16.6122 -16.6122 -16.5006 -16.5006 -7.5748 -7.5744 -7.3487 -7.3487 -6.2591 -6.2590 -6.1295 -6.1294 -5.9698 -5.9678 -5.9078 -5.9054 -2.7299 -2.7292 -2.6464 -2.6452 -1.4981 -1.4980 -0.7110 -0.7110 -0.1323 -0.1318 0.0180 0.0180 8.0964 8.0983 8.7312 8.7359 9.7548 9.7548 9.9850 9.9860 k =-0.4623 0.4444 0.0000 ( 3106 PWs) bands (ev): -16.6097 -16.6097 -16.5009 -16.5009 -7.5767 -7.5764 -7.3548 -7.3548 -6.2596 -6.2596 -6.1311 -6.1310 -5.9594 -5.9574 -5.9153 -5.9129 -2.7373 -2.7367 -2.6486 -2.6476 -1.5089 -1.5088 -0.7118 -0.7118 -0.1202 -0.1198 0.0212 0.0212 8.1622 8.1643 8.7086 8.7131 9.7836 9.7836 9.9744 9.9755 k =-0.4717 0.4534 0.0000 ( 3102 PWs) bands (ev): -16.6077 -16.6077 -16.5011 -16.5011 -7.5782 -7.5780 -7.3596 -7.3596 -6.2601 -6.2601 -6.1323 -6.1323 -5.9509 -5.9488 -5.9214 -5.9190 -2.7429 -2.7425 -2.6504 -2.6497 -1.5174 -1.5173 -0.7124 -0.7124 -0.1104 -0.1101 0.0238 0.0238 8.2202 8.2222 8.6873 8.6912 9.8062 9.8062 9.9601 9.9608 k =-0.4811 0.4625 0.0000 ( 3102 PWs) bands (ev): -16.6063 -16.6063 -16.5013 -16.5013 -7.5792 -7.5790 -7.3630 -7.3630 -6.2604 -6.2604 -6.1332 -6.1332 -5.9442 -5.9419 -5.9264 -5.9239 -2.7470 -2.7467 -2.6517 -2.6513 -1.5235 -1.5235 -0.7129 -0.7129 -0.1033 -0.1031 0.0257 0.0257 8.2670 8.2688 8.6686 8.6717 9.8223 9.8223 9.9402 9.9403 k =-0.4906 0.4716 0.0000 ( 3110 PWs) bands (ev): -16.6055 -16.6055 -16.5014 -16.5014 -7.5798 -7.5797 -7.3651 -7.3651 -6.2607 -6.2607 -6.1338 -6.1337 -5.9391 -5.9368 -5.9304 -5.9280 -2.7494 -2.7492 -2.6526 -2.6523 -1.5272 -1.5272 -0.7132 -0.7132 -0.0991 -0.0990 0.0269 0.0269 8.2985 8.2996 8.6554 8.6571 9.8319 9.8320 9.9240 9.9243 k =-0.5000 0.4806 0.0000 ( 3108 PWs) bands (ev): -16.6052 -16.6052 -16.5014 -16.5014 -7.5799 -7.5799 -7.3658 -7.3658 -6.2608 -6.2608 -6.1339 -6.1339 -5.9353 -5.9353 -5.9315 -5.9315 -2.7501 -2.7501 -2.6528 -2.6528 -1.5285 -1.5285 -0.7133 -0.7133 -0.0976 -0.0976 0.0273 0.0273 8.3101 8.3101 8.6511 8.6511 9.8352 9.8352 9.9184 9.9184 k =-0.5000 0.4806 0.0000 ( 3108 PWs) bands (ev): -16.6052 -16.6052 -16.5014 -16.5014 -7.5799 -7.5799 -7.3658 -7.3658 -6.2608 -6.2608 -6.1339 -6.1339 -5.9353 -5.9353 -5.9315 -5.9315 -2.7501 -2.7501 -2.6528 -2.6528 -1.5285 -1.5285 -0.7133 -0.7133 -0.0976 -0.0976 0.0273 0.0273 8.3101 8.3101 8.6511 8.6511 9.8352 9.8352 9.9184 9.9184 k =-0.4937 0.4872-0.0000 ( 3102 PWs) bands (ev): -16.6053 -16.6053 -16.5014 -16.5014 -7.5821 -7.5820 -7.3631 -7.3629 -6.2610 -6.2607 -6.1345 -6.1339 -5.9356 -5.9352 -5.9313 -5.9312 -2.7500 -2.7499 -2.6524 -2.6523 -1.5283 -1.5283 -0.7126 -0.7126 -0.0985 -0.0984 0.0270 0.0272 8.3107 8.3108 8.6503 8.6503 9.8119 9.8132 9.9185 9.9186 k =-0.4873 0.4938-0.0000 ( 3106 PWs) bands (ev): -16.6057 -16.6057 -16.5014 -16.5014 -7.5883 -7.5881 -7.3552 -7.3548 -6.2614 -6.2609 -6.1356 -6.1343 -5.9363 -5.9354 -5.9305 -5.9302 -2.7499 -2.7497 -2.6512 -2.6511 -1.5278 -1.5278 -0.7107 -0.7106 -0.1013 -0.1011 0.0264 0.0267 8.3126 8.3128 8.6481 8.6481 9.7638 9.7654 9.9190 9.9192 k =-0.4810 0.5004-0.0000 ( 3106 PWs) bands (ev): -16.6063 -16.6063 -16.5013 -16.5013 -7.5977 -7.5974 -7.3429 -7.3423 -6.2619 -6.2612 -6.1371 -6.1352 -5.9374 -5.9360 -5.9291 -5.9286 -2.7495 -2.7492 -2.6492 -2.6490 -1.5270 -1.5270 -0.7075 -0.7074 -0.1060 -0.1057 0.0255 0.0260 8.3157 8.3161 8.6442 8.6442 9.7077 9.7093 9.9199 9.9201 k =-0.4810 0.5004-0.0000 ( 3106 PWs) bands (ev): -16.6063 -16.6063 -16.5013 -16.5013 -7.5977 -7.5974 -7.3429 -7.3423 -6.2619 -6.2612 -6.1371 -6.1352 -5.9374 -5.9360 -5.9291 -5.9286 -2.7495 -2.7492 -2.6492 -2.6490 -1.5270 -1.5270 -0.7075 -0.7074 -0.1060 -0.1057 0.0255 0.0260 8.3157 8.3161 8.6442 8.6442 9.7077 9.7093 9.9199 9.9201 k =-0.4810 0.5004 0.0128 ( 3102 PWs) bands (ev): -16.6063 -16.6062 -16.5013 -16.5013 -7.5969 -7.5966 -7.3422 -7.3416 -6.2630 -6.2623 -6.1381 -6.1363 -5.9381 -5.9367 -5.9301 -5.9297 -2.7483 -2.7480 -2.6491 -2.6489 -1.5242 -1.5241 -0.7068 -0.7067 -0.1057 -0.1054 0.0252 0.0256 8.3124 8.3128 8.6456 8.6456 9.7076 9.7092 9.9208 9.9210 k =-0.4810 0.5004 0.0257 ( 3106 PWs) bands (ev): -16.6060 -16.6060 -16.5015 -16.5015 -7.5946 -7.5943 -7.3403 -7.3397 -6.2663 -6.2656 -6.1413 -6.1394 -5.9403 -5.9390 -5.9332 -5.9328 -2.7447 -2.7444 -2.6489 -2.6487 -1.5157 -1.5156 -0.7048 -0.7047 -0.1049 -0.1046 0.0242 0.0247 8.3026 8.3029 8.6495 8.6495 9.7070 9.7086 9.9231 9.9233 k =-0.4810 0.5004 0.0385 ( 3102 PWs) bands (ev): -16.6056 -16.6056 -16.5017 -16.5017 -7.5907 -7.5904 -7.3371 -7.3364 -6.2717 -6.2710 -6.1464 -6.1446 -5.9440 -5.9427 -5.9383 -5.9379 -2.7388 -2.7385 -2.6485 -2.6483 -1.5016 -1.5016 -0.7016 -0.7015 -0.1036 -0.1033 0.0226 0.0231 8.2864 8.2867 8.6560 8.6560 9.7053 9.7069 9.9270 9.9272 k =-0.4810 0.5004 0.0513 ( 3108 PWs) bands (ev): -16.6050 -16.6050 -16.5021 -16.5021 -7.5853 -7.5849 -7.3326 -7.3320 -6.2791 -6.2784 -6.1537 -6.1519 -5.9494 -5.9481 -5.9453 -5.9449 -2.7307 -2.7304 -2.6478 -2.6476 -1.4823 -1.4822 -0.6971 -0.6970 -0.1019 -0.1016 0.0204 0.0209 8.2642 8.2645 8.6650 8.6650 9.7009 9.7026 9.9322 9.9324 k =-0.4810 0.5004 0.0641 ( 3102 PWs) bands (ev): -16.6042 -16.6042 -16.5025 -16.5025 -7.5783 -7.5779 -7.3268 -7.3262 -6.2884 -6.2878 -6.1629 -6.1611 -5.9566 -5.9555 -5.9538 -5.9533 -2.7205 -2.7202 -2.6466 -2.6464 -1.4579 -1.4578 -0.6912 -0.6911 -0.0997 -0.0993 0.0176 0.0181 8.2365 8.2368 8.6761 8.6761 9.6916 9.6933 9.9386 9.9387 k =-0.4810 0.5004 0.0770 ( 3110 PWs) bands (ev): -16.6033 -16.6033 -16.5030 -16.5030 -7.5698 -7.5694 -7.3198 -7.3191 -6.2995 -6.2989 -6.1741 -6.1724 -5.9664 -5.9657 -5.9631 -5.9623 -2.7084 -2.7081 -2.6448 -2.6446 -1.4288 -1.4287 -0.6843 -0.6841 -0.0971 -0.0968 0.0141 0.0146 8.2038 8.2041 8.6892 8.6892 9.6739 9.6756 9.9458 9.9460 k =-0.4810 0.5004 0.0898 ( 3112 PWs) bands (ev): -16.6022 -16.6022 -16.5036 -16.5036 -7.5597 -7.5594 -7.3115 -7.3108 -6.3122 -6.3116 -6.1872 -6.1856 -5.9785 -5.9779 -5.9733 -5.9723 -2.6946 -2.6943 -2.6422 -2.6421 -1.3954 -1.3953 -0.6761 -0.6760 -0.0942 -0.0939 0.0101 0.0107 8.1666 8.1669 8.7038 8.7038 9.6448 9.6463 9.9426 9.9449 k =-0.4810 0.5004 0.1026 ( 3116 PWs) bands (ev): -16.6010 -16.6010 -16.5044 -16.5044 -7.5481 -7.5478 -7.3020 -7.3013 -6.3264 -6.3257 -6.2022 -6.2007 -5.9922 -5.9917 -5.9848 -5.9838 -2.6792 -2.6789 -2.6387 -2.6386 -1.3580 -1.3580 -0.6668 -0.6667 -0.0912 -0.0908 0.0056 0.0061 8.1258 8.1261 8.7192 8.7192 9.6030 9.6042 9.9328 9.9347 k =-0.4810 0.5004 0.1154 ( 3114 PWs) bands (ev): -16.5996 -16.5996 -16.5052 -16.5052 -7.5351 -7.5347 -7.2912 -7.2905 -6.3419 -6.3412 -6.2190 -6.2175 -6.0073 -6.0068 -5.9977 -5.9968 -2.6626 -2.6623 -2.6343 -2.6342 -1.3171 -1.3171 -0.6564 -0.6563 -0.0880 -0.0876 0.0005 0.0011 8.0819 8.0821 8.7344 8.7344 9.5506 9.5515 9.9324 9.9339 k =-0.4810 0.5004 0.1283 ( 3116 PWs) bands (ev): -16.5981 -16.5981 -16.5061 -16.5061 -7.5205 -7.5202 -7.2793 -7.2786 -6.3585 -6.3578 -6.2376 -6.2361 -6.0236 -6.0231 -6.0120 -6.0112 -2.6449 -2.6446 -2.6287 -2.6286 -1.2731 -1.2731 -0.6449 -0.6448 -0.0849 -0.0844 -0.0050 -0.0044 8.0356 8.0359 8.7480 8.7480 9.4918 9.4923 9.9396 9.9407 k =-0.4810 0.5004 0.1411 ( 3118 PWs) bands (ev): -16.5964 -16.5964 -16.5071 -16.5071 -7.5046 -7.5042 -7.2661 -7.2654 -6.3761 -6.3754 -6.2578 -6.2564 -6.0407 -6.0402 -6.0277 -6.0270 -2.6265 -2.6262 -2.6221 -2.6219 -1.2264 -1.2263 -0.6326 -0.6325 -0.0820 -0.0816 -0.0108 -0.0102 7.9877 7.9880 8.7578 8.7578 9.4313 9.4316 9.9524 9.9533 k =-0.4810 0.5004 0.1539 ( 3120 PWs) bands (ev): -16.5946 -16.5946 -16.5083 -16.5083 -7.4871 -7.4868 -7.2518 -7.2511 -6.3946 -6.3940 -6.2795 -6.2782 -6.0586 -6.0581 -6.0447 -6.0440 -2.6144 -2.6143 -2.6074 -2.6071 -1.1773 -1.1772 -0.6193 -0.6192 -0.0797 -0.0792 -0.0169 -0.0162 7.9389 7.9391 8.7604 8.7605 9.3747 9.3748 9.9695 9.9702 k =-0.4810 0.5004 0.1667 ( 3119 PWs) bands (ev): -16.5927 -16.5927 -16.5095 -16.5095 -7.4683 -7.4679 -7.2363 -7.2356 -6.4140 -6.4134 -6.3027 -6.3016 -6.0770 -6.0765 -6.0626 -6.0621 -2.6055 -2.6054 -2.5882 -2.5879 -1.1263 -1.1262 -0.6051 -0.6050 -0.0783 -0.0778 -0.0228 -0.0222 7.8898 7.8900 8.7517 8.7518 9.3277 9.3278 9.9898 9.9903 k =-0.4810 0.5004 0.1796 ( 3121 PWs) bands (ev): -16.5907 -16.5907 -16.5108 -16.5108 -7.4481 -7.4477 -7.2198 -7.2190 -6.4342 -6.4336 -6.3273 -6.3262 -6.0957 -6.0952 -6.0815 -6.0810 -2.5956 -2.5955 -2.5689 -2.5686 -1.0737 -1.0736 -0.5902 -0.5901 -0.0783 -0.0778 -0.0284 -0.0277 7.8411 7.8413 8.7277 8.7278 9.2956 9.2958 10.0111 10.0111 k =-0.4810 0.5004 0.1924 ( 3121 PWs) bands (ev): -16.5885 -16.5885 -16.5122 -16.5122 -7.4265 -7.4262 -7.2021 -7.2014 -6.4551 -6.4545 -6.3531 -6.3522 -6.1146 -6.1141 -6.1011 -6.1007 -2.5848 -2.5847 -2.5499 -2.5496 -1.0198 -1.0197 -0.5745 -0.5744 -0.0801 -0.0796 -0.0333 -0.0326 7.7934 7.7936 8.6863 8.6864 9.2814 9.2817 10.0185 10.0188 k =-0.4810 0.5004 0.2052 ( 3117 PWs) bands (ev): -16.5863 -16.5863 -16.5137 -16.5137 -7.4036 -7.4033 -7.1834 -7.1826 -6.4767 -6.4762 -6.3799 -6.3791 -6.1335 -6.1330 -6.1211 -6.1207 -2.5731 -2.5731 -2.5313 -2.5310 -0.9651 -0.9650 -0.5583 -0.5582 -0.0842 -0.0837 -0.0372 -0.0366 7.7475 7.7477 8.6291 8.6292 9.2845 9.2849 10.0243 10.0246 k =-0.4810 0.5004 0.2180 ( 3123 PWs) bands (ev): -16.5839 -16.5839 -16.5153 -16.5153 -7.3795 -7.3791 -7.1637 -7.1629 -6.4993 -6.4988 -6.4077 -6.4071 -6.1521 -6.1516 -6.1412 -6.1410 -2.5608 -2.5608 -2.5134 -2.5132 -0.9099 -0.9097 -0.5415 -0.5414 -0.0905 -0.0901 -0.0404 -0.0399 7.7039 7.7040 8.5599 8.5600 9.3017 9.3022 10.0289 10.0293 k =-0.4810 0.5004 0.2309 ( 3121 PWs) bands (ev): -16.5815 -16.5815 -16.5170 -16.5170 -7.3541 -7.3536 -7.1430 -7.1422 -6.5227 -6.5223 -6.4362 -6.4357 -6.1704 -6.1699 -6.1613 -6.1612 -2.5479 -2.5479 -2.4964 -2.4961 -0.8544 -0.8543 -0.5241 -0.5240 -0.0987 -0.0985 -0.0433 -0.0429 7.6632 7.6633 8.4827 8.4828 9.3294 9.3299 10.0325 10.0329 k =-0.4810 0.5004 0.2437 ( 3117 PWs) bands (ev): -16.5790 -16.5790 -16.5188 -16.5188 -7.3274 -7.3270 -7.1214 -7.1206 -6.5472 -6.5470 -6.4651 -6.4648 -6.1882 -6.1877 -6.1810 -6.1810 -2.5347 -2.5347 -2.4804 -2.4802 -0.7991 -0.7989 -0.5063 -0.5062 -0.1085 -0.1083 -0.0466 -0.0464 7.6259 7.6261 8.4010 8.4011 9.3646 9.3651 10.0347 10.0352 k =-0.4810 0.5004 0.2565 ( 3119 PWs) bands (ev): -16.5764 -16.5764 -16.5206 -16.5206 -7.2997 -7.2993 -7.0989 -7.0981 -6.5730 -6.5729 -6.4943 -6.4942 -6.2052 -6.2047 -6.2002 -6.2001 -2.5213 -2.5213 -2.4657 -2.4654 -0.7441 -0.7439 -0.4882 -0.4881 -0.1195 -0.1195 -0.0509 -0.0507 7.5926 7.5928 8.3173 8.3174 9.4050 9.4056 10.0355 10.0360 k =-0.4810 0.5004 0.2693 ( 3126 PWs) bands (ev): -16.5738 -16.5738 -16.5226 -16.5226 -7.2709 -7.2704 -7.0756 -7.0747 -6.6002 -6.6002 -6.5237 -6.5235 -6.2215 -6.2211 -6.2184 -6.2183 -2.5079 -2.5079 -2.4523 -2.4521 -0.6900 -0.6898 -0.4698 -0.4696 -0.1316 -0.1316 -0.0564 -0.0563 7.5638 7.5639 8.2336 8.2336 9.4491 9.4497 10.0345 10.0351 k =-0.4810 0.5004 0.2822 ( 3126 PWs) bands (ev): -16.5711 -16.5711 -16.5247 -16.5247 -7.2410 -7.2405 -7.0515 -7.0506 -6.6291 -6.6289 -6.5530 -6.5525 -6.2369 -6.2366 -6.2352 -6.2351 -2.4946 -2.4946 -2.4404 -2.4402 -0.6368 -0.6366 -0.4511 -0.4509 -0.1445 -0.1445 -0.0636 -0.0635 7.5399 7.5400 8.1511 8.1511 9.4955 9.4962 10.0317 10.0323 k =-0.4810 0.5004 0.2950 ( 3130 PWs) bands (ev): -16.5684 -16.5684 -16.5268 -16.5268 -7.2101 -7.2096 -7.0266 -7.0257 -6.6595 -6.6591 -6.5820 -6.5813 -6.2518 -6.2516 -6.2502 -6.2499 -2.4817 -2.4816 -2.4301 -2.4299 -0.5851 -0.5848 -0.4322 -0.4320 -0.1582 -0.1581 -0.0728 -0.0728 7.5213 7.5214 8.0711 8.0711 9.5433 9.5440 10.0268 10.0275 k =-0.4810 0.5004 0.3078 ( 3130 PWs) bands (ev): -16.5657 -16.5657 -16.5291 -16.5291 -7.1783 -7.1778 -7.0011 -7.0001 -6.6913 -6.6909 -6.6107 -6.6099 -6.2657 -6.2654 -6.2634 -6.2629 -2.4693 -2.4692 -2.4214 -2.4212 -0.5349 -0.5346 -0.4131 -0.4128 -0.1726 -0.1725 -0.0842 -0.0842 7.5084 7.5085 7.9943 7.9943 9.5915 9.5922 10.0195 10.0203 k =-0.4810 0.5004 0.3206 ( 3127 PWs) bands (ev): -16.5629 -16.5629 -16.5314 -16.5314 -7.1457 -7.1451 -6.9749 -6.9740 -6.7244 -6.7239 -6.6392 -6.6383 -6.2780 -6.2776 -6.2750 -6.2745 -2.4574 -2.4573 -2.4144 -2.4142 -0.4868 -0.4864 -0.3937 -0.3934 -0.1876 -0.1874 -0.0980 -0.0980 7.5015 7.5016 7.9215 7.9216 9.6393 9.6401 10.0097 10.0105 k =-0.4810 0.5004 0.3335 ( 3128 PWs) bands (ev): -16.5602 -16.5602 -16.5337 -16.5337 -7.1123 -7.1117 -6.9483 -6.9473 -6.7586 -6.7579 -6.6676 -6.6666 -6.2885 -6.2880 -6.2852 -6.2846 -2.4465 -2.4464 -2.4092 -2.4090 -0.4412 -0.4406 -0.3740 -0.3736 -0.2031 -0.2029 -0.1144 -0.1143 7.5009 7.5010 7.8534 7.8534 9.6861 9.6869 9.9971 9.9979 k =-0.4810 0.5004 0.3463 ( 3130 PWs) bands (ev): -16.5574 -16.5574 -16.5362 -16.5362 -7.0782 -7.0776 -6.9212 -6.9201 -6.7935 -6.7928 -6.6960 -6.6949 -6.2970 -6.2965 -6.2938 -6.2932 -2.4365 -2.4364 -2.4057 -2.4055 -0.3987 -0.3979 -0.3535 -0.3529 -0.2193 -0.2190 -0.1334 -0.1333 7.5067 7.5068 7.7903 7.7903 9.7311 9.7320 9.9813 9.9822 k =-0.4810 0.5004 0.3591 ( 3124 PWs) bands (ev): -16.5547 -16.5546 -16.5387 -16.5387 -7.0435 -7.0429 -6.8937 -6.8926 -6.8289 -6.8282 -6.7243 -6.7232 -6.3034 -6.3029 -6.3007 -6.3001 -2.4276 -2.4275 -2.4039 -2.4038 -0.3613 -0.3603 -0.3306 -0.3296 -0.2359 -0.2356 -0.1553 -0.1551 7.5191 7.5192 7.7327 7.7328 9.7739 9.7748 9.9623 9.9633 k =-0.4810 0.5004 0.3719 ( 3127 PWs) bands (ev): -16.5519 -16.5519 -16.5412 -16.5412 -7.0083 -7.0077 -6.8675 -6.8664 -6.8631 -6.8624 -6.7527 -6.7515 -6.3079 -6.3074 -6.3059 -6.3053 -2.4200 -2.4199 -2.4039 -2.4038 -0.3320 -0.3310 -0.3021 -0.3012 -0.2532 -0.2528 -0.1800 -0.1797 7.5382 7.5383 7.6811 7.6811 9.8138 9.8148 9.9398 9.9408 k =-0.4810 0.5004 0.3848 ( 3126 PWs) bands (ev): -16.5492 -16.5492 -16.5438 -16.5438 -6.9727 -6.9721 -6.9008 -6.9001 -6.8377 -6.8366 -6.7810 -6.7799 -6.3103 -6.3098 -6.3092 -6.3087 -2.4137 -2.4136 -2.4056 -2.4054 -0.3094 -0.3086 -0.2714 -0.2709 -0.2692 -0.2686 -0.2074 -0.2071 7.5640 7.5641 7.6356 7.6356 9.8506 9.8516 9.9137 9.9147 k =-0.4810 0.5004 0.3976 ( 3122 PWs) bands (ev): -16.5465 -16.5465 -16.5465 -16.5465 -6.9381 -6.9381 -6.9348 -6.9348 -6.8108 -6.8108 -6.8069 -6.8069 -6.3108 -6.3108 -6.3101 -6.3101 -2.4089 -2.4089 -2.4087 -2.4087 -0.2896 -0.2896 -0.2889 -0.2889 -0.2376 -0.2376 -0.2369 -0.2369 7.5965 7.5965 7.5966 7.5966 9.8835 9.8835 9.8854 9.8854 k =-0.4810 0.5004 0.3976 ( 3122 PWs) bands (ev): -16.5465 -16.5465 -16.5465 -16.5465 -6.9381 -6.9381 -6.9348 -6.9348 -6.8108 -6.8108 -6.8069 -6.8069 -6.3108 -6.3108 -6.3101 -6.3101 -2.4089 -2.4089 -2.4087 -2.4087 -0.2896 -0.2896 -0.2889 -0.2889 -0.2376 -0.2376 -0.2369 -0.2369 7.5965 7.5965 7.5966 7.5966 9.8835 9.8835 9.8854 9.8854 k =-0.4873 0.4938 0.3976 ( 3130 PWs) bands (ev): -16.5462 -16.5462 -16.5462 -16.5462 -6.9315 -6.9315 -6.9292 -6.9292 -6.8114 -6.8114 -6.8087 -6.8087 -6.3183 -6.3183 -6.3179 -6.3179 -2.4093 -2.4093 -2.4091 -2.4091 -0.2863 -0.2863 -0.2858 -0.2858 -0.2384 -0.2384 -0.2378 -0.2378 7.5917 7.5917 7.5917 7.5917 9.9069 9.9069 9.9083 9.9083 k =-0.4937 0.4872 0.3976 ( 3130 PWs) bands (ev): -16.5461 -16.5461 -16.5461 -16.5461 -6.9272 -6.9272 -6.9260 -6.9260 -6.8115 -6.8115 -6.8100 -6.8100 -6.3229 -6.3229 -6.3227 -6.3227 -2.4095 -2.4095 -2.4094 -2.4094 -0.2842 -0.2842 -0.2839 -0.2839 -0.2388 -0.2388 -0.2385 -0.2385 7.5887 7.5887 7.5888 7.5888 9.9218 9.9218 9.9226 9.9226 k =-0.5000 0.4806 0.3976 ( 3120 PWs) bands (ev): -16.5460 -16.5460 -16.5460 -16.5460 -6.9253 -6.9253 -6.9253 -6.9253 -6.8110 -6.8110 -6.8110 -6.8110 -6.3243 -6.3243 -6.3243 -6.3243 -2.4095 -2.4095 -2.4095 -2.4095 -0.2833 -0.2833 -0.2833 -0.2833 -0.2389 -0.2389 -0.2389 -0.2389 7.5878 7.5878 7.5878 7.5878 9.9272 9.9272 9.9272 9.9272 k =-0.5000 0.4806 0.3976 ( 3120 PWs) bands (ev): -16.5460 -16.5460 -16.5460 -16.5460 -6.9253 -6.9253 -6.9253 -6.9253 -6.8110 -6.8110 -6.8110 -6.8110 -6.3243 -6.3243 -6.3243 -6.3243 -2.4095 -2.4095 -2.4095 -2.4095 -0.2833 -0.2833 -0.2833 -0.2833 -0.2389 -0.2389 -0.2389 -0.2389 7.5878 7.5878 7.5878 7.5878 9.9272 9.9272 9.9272 9.9272 k =-0.5000 0.4806 0.3848 ( 3126 PWs) bands (ev): -16.5487 -16.5487 -16.5434 -16.5434 -6.9601 -6.9601 -6.8906 -6.8906 -6.8414 -6.8414 -6.7802 -6.7802 -6.3249 -6.3249 -6.3219 -6.3219 -2.4144 -2.4144 -2.4062 -2.4062 -0.3017 -0.3017 -0.2728 -0.2728 -0.2652 -0.2652 -0.2081 -0.2081 7.5553 7.5553 7.6268 7.6268 9.8926 9.8926 9.9576 9.9576 k =-0.5000 0.4806 0.3719 ( 3122 PWs) bands (ev): -16.5513 -16.5513 -16.5408 -16.5408 -6.9948 -6.9948 -6.8721 -6.8721 -6.8554 -6.8554 -6.7492 -6.7492 -6.3235 -6.3235 -6.3176 -6.3176 -2.4208 -2.4208 -2.4045 -2.4045 -0.3203 -0.3203 -0.3093 -0.3093 -0.2475 -0.2475 -0.1802 -0.1802 7.5295 7.5295 7.6723 7.6723 9.8540 9.8540 9.9838 9.9838 k =-0.5000 0.4806 0.3591 ( 3124 PWs) bands (ev): -16.5541 -16.5541 -16.5383 -16.5383 -7.0292 -7.0292 -6.9015 -6.9015 -6.8213 -6.8213 -6.7180 -6.7180 -6.3201 -6.3201 -6.3116 -6.3116 -2.4285 -2.4285 -2.4044 -2.4044 -0.3488 -0.3488 -0.3390 -0.3390 -0.2302 -0.2302 -0.1554 -0.1554 7.5105 7.5105 7.7241 7.7241 9.8118 9.8118 10.0058 10.0058 k =-0.5000 0.4806 0.3463 ( 3128 PWs) bands (ev): -16.5568 -16.5568 -16.5358 -16.5358 -7.0633 -7.0633 -6.9307 -6.9307 -6.7875 -6.7875 -6.6867 -6.6867 -6.3146 -6.3146 -6.3039 -6.3039 -2.4375 -2.4375 -2.4061 -2.4061 -0.3908 -0.3908 -0.3581 -0.3581 -0.2132 -0.2132 -0.1336 -0.1336 7.4981 7.4981 7.7817 7.7817 9.7666 9.7666 10.0237 10.0237 k =-0.5000 0.4806 0.3335 ( 3124 PWs) bands (ev): -16.5595 -16.5595 -16.5334 -16.5334 -7.0969 -7.0969 -6.9593 -6.9593 -6.7543 -6.7543 -6.6554 -6.6554 -6.3071 -6.3071 -6.2946 -6.2946 -2.4476 -2.4476 -2.4096 -2.4096 -0.4353 -0.4353 -0.3772 -0.3772 -0.1967 -0.1967 -0.1146 -0.1146 7.4924 7.4924 7.8449 7.8449 9.7188 9.7188 10.0380 10.0380 k =-0.5000 0.4806 0.3206 ( 3120 PWs) bands (ev): -16.5623 -16.5623 -16.5311 -16.5311 -7.1298 -7.1298 -6.9873 -6.9873 -6.7219 -6.7219 -6.6242 -6.6242 -6.2975 -6.2975 -6.2839 -6.2839 -2.4586 -2.4586 -2.4147 -2.4147 -0.4821 -0.4821 -0.3963 -0.3963 -0.1806 -0.1806 -0.0984 -0.0984 7.4931 7.4931 7.9133 7.9133 9.6693 9.6693 10.0487 10.0487 k =-0.5000 0.4806 0.3078 ( 3124 PWs) bands (ev): -16.5650 -16.5650 -16.5288 -16.5288 -7.1621 -7.1621 -7.0146 -7.0146 -6.6903 -6.6903 -6.5933 -6.5933 -6.2859 -6.2859 -6.2717 -6.2717 -2.4705 -2.4705 -2.4217 -2.4217 -0.5309 -0.5309 -0.4155 -0.4155 -0.1651 -0.1651 -0.0850 -0.0850 7.5001 7.5001 7.9863 7.9863 9.6187 9.6187 10.0564 10.0564 k =-0.5000 0.4806 0.2950 ( 3128 PWs) bands (ev): -16.5677 -16.5677 -16.5266 -16.5266 -7.1936 -7.1936 -7.0413 -7.0413 -6.6598 -6.6598 -6.5625 -6.5625 -6.2723 -6.2723 -6.2582 -6.2582 -2.4831 -2.4831 -2.4304 -2.4304 -0.5815 -0.5815 -0.4346 -0.4346 -0.1500 -0.1500 -0.0741 -0.0741 7.5131 7.5131 8.0634 8.0634 9.5677 9.5677 10.0613 10.0613 k =-0.5000 0.4806 0.2822 ( 3120 PWs) bands (ev): -16.5704 -16.5704 -16.5245 -16.5245 -7.2242 -7.2242 -7.0671 -7.0671 -6.6304 -6.6304 -6.5321 -6.5321 -6.2568 -6.2568 -6.2436 -6.2436 -2.4962 -2.4962 -2.4407 -2.4407 -0.6337 -0.6337 -0.4537 -0.4537 -0.1354 -0.1354 -0.0655 -0.0655 7.5318 7.5318 8.1439 8.1439 9.5173 9.5173 10.0638 10.0638 k =-0.5000 0.4806 0.2693 ( 3120 PWs) bands (ev): -16.5730 -16.5730 -16.5224 -16.5224 -7.2538 -7.2538 -7.0921 -7.0921 -6.6021 -6.6021 -6.5021 -6.5021 -6.2397 -6.2397 -6.2279 -6.2279 -2.5096 -2.5096 -2.4525 -2.4525 -0.6872 -0.6872 -0.4726 -0.4726 -0.1214 -0.1214 -0.0591 -0.0591 7.5558 7.5558 8.2270 8.2270 9.4683 9.4683 10.0641 10.0641 k =-0.5000 0.4806 0.2565 ( 3124 PWs) bands (ev): -16.5756 -16.5756 -16.5205 -16.5205 -7.2825 -7.2825 -7.1162 -7.1162 -6.5749 -6.5749 -6.4727 -6.4727 -6.2211 -6.2211 -6.2112 -6.2112 -2.5232 -2.5232 -2.4659 -2.4659 -0.7417 -0.7417 -0.4912 -0.4912 -0.1080 -0.1080 -0.0547 -0.0547 7.5847 7.5847 8.3115 8.3115 9.4217 9.4217 10.0626 10.0626 k =-0.5000 0.4806 0.2437 ( 3120 PWs) bands (ev): -16.5781 -16.5781 -16.5187 -16.5187 -7.3101 -7.3101 -7.1394 -7.1394 -6.5488 -6.5488 -6.4439 -6.4439 -6.2014 -6.2014 -6.1937 -6.1937 -2.5367 -2.5367 -2.4807 -2.4807 -0.7969 -0.7969 -0.5096 -0.5096 -0.0951 -0.0951 -0.0520 -0.0520 7.6182 7.6182 8.3962 8.3962 9.3788 9.3788 10.0594 10.0594 k =-0.5000 0.4806 0.2309 ( 3112 PWs) bands (ev): -16.5806 -16.5806 -16.5169 -16.5169 -7.3366 -7.3366 -7.1616 -7.1616 -6.5238 -6.5238 -6.4158 -6.4158 -6.1808 -6.1808 -6.1755 -6.1755 -2.5500 -2.5500 -2.4966 -2.4966 -0.8525 -0.8525 -0.5275 -0.5275 -0.0828 -0.0828 -0.0508 -0.0508 7.6555 7.6555 8.4793 8.4793 9.3412 9.3412 10.0548 10.0548 k =-0.5000 0.4806 0.2180 ( 3110 PWs) bands (ev): -16.5830 -16.5830 -16.5152 -16.5152 -7.3619 -7.3619 -7.1829 -7.1829 -6.4998 -6.4998 -6.3885 -6.3885 -6.1597 -6.1597 -6.1566 -6.1566 -2.5630 -2.5630 -2.5136 -2.5136 -0.9083 -0.9083 -0.5451 -0.5451 -0.0711 -0.0711 -0.0510 -0.0510 7.6964 7.6964 8.5583 8.5583 9.3109 9.3109 10.0490 10.0490 k =-0.5000 0.4806 0.2052 ( 3114 PWs) bands (ev): -16.5853 -16.5853 -16.5137 -16.5137 -7.3860 -7.3860 -7.2031 -7.2031 -6.4767 -6.4767 -6.3621 -6.3621 -6.1391 -6.1391 -6.1367 -6.1367 -2.5755 -2.5755 -2.5316 -2.5316 -0.9638 -0.9638 -0.5621 -0.5621 -0.0601 -0.0601 -0.0523 -0.0523 7.7401 7.7401 8.6298 8.6298 9.2911 9.2911 10.0420 10.0420 k =-0.5000 0.4806 0.1924 ( 3112 PWs) bands (ev): -16.5876 -16.5876 -16.5122 -16.5122 -7.4088 -7.4088 -7.2223 -7.2223 -6.4545 -6.4545 -6.3367 -6.3367 -6.1194 -6.1194 -6.1157 -6.1157 -2.5872 -2.5872 -2.5502 -2.5502 -1.0188 -1.0188 -0.5786 -0.5786 -0.0546 -0.0546 -0.0496 -0.0496 7.7862 7.7862 8.6896 8.6896 9.2856 9.2856 10.0342 10.0342 k =-0.5000 0.4806 0.1796 ( 3116 PWs) bands (ev): -16.5897 -16.5897 -16.5108 -16.5108 -7.4304 -7.4304 -7.2403 -7.2403 -6.4332 -6.4332 -6.3125 -6.3125 -6.1002 -6.1002 -6.0947 -6.0947 -2.5982 -2.5982 -2.5693 -2.5693 -1.0728 -1.0728 -0.5944 -0.5944 -0.0575 -0.0575 -0.0398 -0.0398 7.8339 7.8339 8.7335 8.7335 9.2980 9.2980 10.0255 10.0255 k =-0.5000 0.4806 0.1667 ( 3118 PWs) bands (ev): -16.5917 -16.5917 -16.5095 -16.5095 -7.4506 -7.4506 -7.2573 -7.2573 -6.4127 -6.4127 -6.2895 -6.2895 -6.0811 -6.0811 -6.0742 -6.0742 -2.6082 -2.6082 -2.5885 -2.5885 -1.1257 -1.1257 -0.6096 -0.6096 -0.0610 -0.0610 -0.0307 -0.0307 7.8828 7.8828 8.7596 8.7596 9.3299 9.3299 10.0100 10.0100 k =-0.5000 0.4806 0.1539 ( 3122 PWs) bands (ev): -16.5936 -16.5936 -16.5083 -16.5083 -7.4694 -7.4694 -7.2730 -7.2730 -6.3931 -6.3931 -6.2677 -6.2677 -6.0625 -6.0625 -6.0546 -6.0546 -2.6172 -2.6172 -2.6078 -2.6078 -1.1770 -1.1770 -0.6239 -0.6239 -0.0648 -0.0648 -0.0222 -0.0222 7.9320 7.9320 8.7694 8.7694 9.3788 9.3788 9.9865 9.9865 k =-0.5000 0.4806 0.1411 ( 3122 PWs) bands (ev): -16.5954 -16.5954 -16.5072 -16.5072 -7.4868 -7.4868 -7.2877 -7.2877 -6.3744 -6.3744 -6.2473 -6.2473 -6.0444 -6.0444 -6.0360 -6.0360 -2.6270 -2.6270 -2.6249 -2.6249 -1.2263 -1.2263 -0.6374 -0.6374 -0.0688 -0.0688 -0.0143 -0.0143 7.9810 7.9810 8.7672 8.7672 9.4399 9.4399 9.9640 9.9640 k =-0.5000 0.4806 0.1283 ( 3118 PWs) bands (ev): -16.5971 -16.5971 -16.5062 -16.5062 -7.5027 -7.5027 -7.3011 -7.3011 -6.3567 -6.3567 -6.2284 -6.2284 -6.0271 -6.0271 -6.0187 -6.0187 -2.6453 -2.6453 -2.6318 -2.6318 -1.2732 -1.2732 -0.6500 -0.6500 -0.0729 -0.0729 -0.0072 -0.0072 8.0290 8.0290 8.7574 8.7574 9.5081 9.5081 9.9430 9.9430 k =-0.5000 0.4806 0.1154 ( 3114 PWs) bands (ev): -16.5986 -16.5986 -16.5053 -16.5053 -7.5173 -7.5173 -7.3132 -7.3132 -6.3400 -6.3400 -6.2110 -6.2110 -6.0107 -6.0107 -6.0028 -6.0028 -2.6630 -2.6630 -2.6375 -2.6375 -1.3175 -1.3175 -0.6615 -0.6615 -0.0769 -0.0769 -0.0007 -0.0007 8.0754 8.0754 8.7435 8.7435 9.5790 9.5790 9.9235 9.9235 k =-0.5000 0.4806 0.1026 ( 3118 PWs) bands (ev): -16.5999 -16.5999 -16.5045 -16.5045 -7.5303 -7.5303 -7.3242 -7.3242 -6.3246 -6.3246 -6.1952 -6.1952 -5.9954 -5.9954 -5.9885 -5.9885 -2.6797 -2.6797 -2.6420 -2.6420 -1.3586 -1.3586 -0.6721 -0.6721 -0.0808 -0.0808 0.0051 0.0051 8.1195 8.1195 8.7278 8.7278 9.6493 9.6493 9.9056 9.9056 k =-0.5000 0.4806 0.0898 ( 3118 PWs) bands (ev): -16.6012 -16.6012 -16.5038 -16.5038 -7.5419 -7.5419 -7.3339 -7.3339 -6.3105 -6.3105 -6.1811 -6.1811 -5.9815 -5.9815 -5.9758 -5.9758 -2.6951 -2.6951 -2.6455 -2.6455 -1.3961 -1.3961 -0.6815 -0.6815 -0.0845 -0.0845 0.0103 0.0103 8.1605 8.1605 8.7120 8.7120 9.7167 9.7167 9.8896 9.8896 k =-0.5000 0.4806 0.0770 ( 3102 PWs) bands (ev): -16.6022 -16.6022 -16.5031 -16.5031 -7.5519 -7.5519 -7.3423 -7.3423 -6.2979 -6.2979 -6.1688 -6.1688 -5.9690 -5.9690 -5.9647 -5.9647 -2.7089 -2.7089 -2.6482 -2.6482 -1.4297 -1.4297 -0.6898 -0.6898 -0.0877 -0.0877 0.0149 0.0149 8.1977 8.1977 8.6971 8.6971 9.7791 9.7791 9.8755 9.8755 k =-0.5000 0.4806 0.0641 ( 3108 PWs) bands (ev): -16.6031 -16.6031 -16.5026 -16.5026 -7.5604 -7.5604 -7.3495 -7.3495 -6.2870 -6.2870 -6.1582 -6.1582 -5.9583 -5.9583 -5.9552 -5.9552 -2.7211 -2.7211 -2.6500 -2.6500 -1.4589 -1.4589 -0.6969 -0.6969 -0.0906 -0.0906 0.0186 0.0186 8.2306 8.2306 8.6837 8.6837 9.8348 9.8348 9.8634 9.8634 k =-0.5000 0.4806 0.0513 ( 3108 PWs) bands (ev): -16.6039 -16.6039 -16.5022 -16.5022 -7.5674 -7.5674 -7.3553 -7.3553 -6.2777 -6.2777 -6.1496 -6.1496 -5.9496 -5.9496 -5.9472 -5.9472 -2.7313 -2.7313 -2.6513 -2.6513 -1.4835 -1.4835 -0.7028 -0.7028 -0.0931 -0.0931 0.0218 0.0218 8.2584 8.2584 8.6723 8.6723 9.8533 9.8533 9.8826 9.8826 k =-0.5000 0.4806 0.0385 ( 3104 PWs) bands (ev): -16.6045 -16.6045 -16.5019 -16.5019 -7.5729 -7.5729 -7.3599 -7.3599 -6.2704 -6.2704 -6.1427 -6.1427 -5.9431 -5.9431 -5.9406 -5.9406 -2.7394 -2.7394 -2.6520 -2.6520 -1.5029 -1.5029 -0.7074 -0.7074 -0.0950 -0.0950 0.0242 0.0242 8.2807 8.2807 8.6631 8.6631 9.8454 9.8454 9.9210 9.9210 k =-0.5000 0.4806 0.0257 ( 3104 PWs) bands (ev): -16.6049 -16.6049 -16.5016 -16.5016 -7.5768 -7.5768 -7.3632 -7.3632 -6.2651 -6.2651 -6.1378 -6.1378 -5.9387 -5.9387 -5.9356 -5.9356 -2.7453 -2.7453 -2.6525 -2.6525 -1.5170 -1.5170 -0.7107 -0.7107 -0.0964 -0.0964 0.0259 0.0259 8.2969 8.2969 8.6565 8.6565 9.8397 9.8397 9.9219 9.9219 k =-0.5000 0.4806 0.0128 ( 3112 PWs) bands (ev): -16.6052 -16.6052 -16.5015 -16.5015 -7.5791 -7.5791 -7.3652 -7.3652 -6.2619 -6.2619 -6.1349 -6.1349 -5.9361 -5.9361 -5.9325 -5.9325 -2.7489 -2.7489 -2.6527 -2.6527 -1.5256 -1.5256 -0.7127 -0.7127 -0.0973 -0.0973 0.0269 0.0269 8.3068 8.3068 8.6524 8.6524 9.8363 9.8363 9.9193 9.9193 k =-0.5000 0.4806 0.0000 ( 3108 PWs) bands (ev): -16.6052 -16.6052 -16.5014 -16.5014 -7.5799 -7.5799 -7.3658 -7.3658 -6.2608 -6.2608 -6.1339 -6.1339 -5.9353 -5.9353 -5.9315 -5.9315 -2.7501 -2.7501 -2.6528 -2.6528 -1.5285 -1.5285 -0.7133 -0.7133 -0.0976 -0.0976 0.0273 0.0273 8.3101 8.3101 8.6511 8.6511 9.8352 9.8352 9.9184 9.9184 k = 0.0000 0.0000 0.3976 ( 3106 PWs) bands (ev): -16.6915 -16.6915 -16.6915 -16.6915 -6.8838 -6.8838 -6.8838 -6.8838 -6.1762 -6.1762 -6.1762 -6.1762 -5.9492 -5.9492 -5.9492 -5.9492 -2.6494 -2.6494 -2.6494 -2.6494 -0.6583 -0.6583 -0.6583 -0.6583 -0.1427 -0.1427 -0.1427 -0.1427 7.6892 7.6892 7.6892 7.6892 8.0136 8.0136 8.0136 8.0136 k =-0.0094 0.0091 0.3976 ( 3116 PWs) bands (ev): -16.6914 -16.6914 -16.6914 -16.6914 -6.8854 -6.8854 -6.8854 -6.8854 -6.1768 -6.1768 -6.1768 -6.1768 -5.9477 -5.9477 -5.9476 -5.9476 -2.6490 -2.6490 -2.6489 -2.6489 -0.6579 -0.6579 -0.6579 -0.6579 -0.1438 -0.1438 -0.1438 -0.1438 7.6902 7.6902 7.6902 7.6902 8.0157 8.0157 8.0157 8.0157 k =-0.0189 0.0181 0.3976 ( 3116 PWs) bands (ev): -16.6910 -16.6910 -16.6910 -16.6910 -6.8901 -6.8901 -6.8900 -6.8900 -6.1787 -6.1787 -6.1787 -6.1787 -5.9430 -5.9430 -5.9428 -5.9428 -2.6476 -2.6476 -2.6475 -2.6475 -0.6567 -0.6567 -0.6567 -0.6567 -0.1470 -0.1470 -0.1470 -0.1470 7.6933 7.6933 7.6933 7.6933 8.0223 8.0223 8.0223 8.0223 k =-0.0283 0.0272 0.3976 ( 3120 PWs) bands (ev): -16.6903 -16.6903 -16.6903 -16.6903 -6.8978 -6.8978 -6.8975 -6.8975 -6.1819 -6.1819 -6.1819 -6.1819 -5.9354 -5.9354 -5.9351 -5.9351 -2.6453 -2.6453 -2.6452 -2.6452 -0.6548 -0.6548 -0.6548 -0.6548 -0.1523 -0.1523 -0.1523 -0.1523 7.6985 7.6985 7.6985 7.6985 8.0331 8.0331 8.0331 8.0331 k =-0.0377 0.0363 0.3976 ( 3128 PWs) bands (ev): -16.6894 -16.6894 -16.6894 -16.6894 -6.9081 -6.9081 -6.9078 -6.9078 -6.1863 -6.1863 -6.1863 -6.1863 -5.9250 -5.9250 -5.9246 -5.9246 -2.6421 -2.6421 -2.6420 -2.6420 -0.6521 -0.6521 -0.6521 -0.6521 -0.1597 -0.1597 -0.1596 -0.1596 7.7056 7.7056 7.7056 7.7056 8.0482 8.0482 8.0482 8.0482 k =-0.0472 0.0453 0.3976 ( 3132 PWs) bands (ev): -16.6882 -16.6882 -16.6882 -16.6882 -6.9208 -6.9208 -6.9204 -6.9204 -6.1919 -6.1919 -6.1919 -6.1919 -5.9122 -5.9122 -5.9117 -5.9117 -2.6380 -2.6380 -2.6379 -2.6379 -0.6486 -0.6486 -0.6486 -0.6486 -0.1689 -0.1689 -0.1689 -0.1689 7.7145 7.7145 7.7146 7.7146 8.0675 8.0675 8.0675 8.0675 k =-0.0566 0.0544 0.3976 ( 3134 PWs) bands (ev): -16.6868 -16.6868 -16.6868 -16.6868 -6.9356 -6.9356 -6.9352 -6.9352 -6.1987 -6.1987 -6.1987 -6.1987 -5.8973 -5.8973 -5.8967 -5.8967 -2.6331 -2.6331 -2.6329 -2.6329 -0.6444 -0.6444 -0.6444 -0.6444 -0.1800 -0.1800 -0.1800 -0.1800 7.7253 7.7253 7.7253 7.7253 8.0911 8.0911 8.0911 8.0911 k =-0.0660 0.0635 0.3976 ( 3134 PWs) bands (ev): -16.6852 -16.6852 -16.6852 -16.6852 -6.9521 -6.9521 -6.9516 -6.9516 -6.2066 -6.2066 -6.2066 -6.2066 -5.8808 -5.8808 -5.8802 -5.8802 -2.6273 -2.6273 -2.6271 -2.6271 -0.6395 -0.6395 -0.6395 -0.6395 -0.1928 -0.1928 -0.1927 -0.1927 7.7376 7.7376 7.7376 7.7376 8.1188 8.1188 8.1188 8.1188 k =-0.0755 0.0725 0.3976 ( 3122 PWs) bands (ev): -16.6832 -16.6832 -16.6832 -16.6832 -6.9699 -6.9699 -6.9694 -6.9694 -6.2156 -6.2156 -6.2156 -6.2156 -5.8631 -5.8631 -5.8624 -5.8624 -2.6208 -2.6208 -2.6205 -2.6205 -0.6339 -0.6339 -0.6339 -0.6339 -0.2070 -0.2070 -0.2070 -0.2070 7.7514 7.7514 7.7514 7.7514 8.1506 8.1506 8.1506 8.1506 k =-0.0849 0.0816 0.3976 ( 3118 PWs) bands (ev): -16.6811 -16.6811 -16.6811 -16.6811 -6.9887 -6.9887 -6.9882 -6.9882 -6.2257 -6.2257 -6.2257 -6.2257 -5.8445 -5.8445 -5.8437 -5.8437 -2.6135 -2.6135 -2.6132 -2.6132 -0.6276 -0.6276 -0.6276 -0.6276 -0.2227 -0.2227 -0.2226 -0.2226 7.7664 7.7664 7.7665 7.7665 8.1864 8.1864 8.1864 8.1864 k =-0.0943 0.0907 0.3976 ( 3130 PWs) bands (ev): -16.6787 -16.6787 -16.6787 -16.6787 -7.0083 -7.0083 -7.0077 -7.0077 -6.2369 -6.2369 -6.2369 -6.2369 -5.8255 -5.8255 -5.8246 -5.8246 -2.6055 -2.6055 -2.6051 -2.6051 -0.6208 -0.6208 -0.6208 -0.6208 -0.2396 -0.2396 -0.2395 -0.2395 7.7826 7.7826 7.7827 7.7827 8.2260 8.2260 8.2260 8.2260 k =-0.1038 0.0998 0.3976 ( 3130 PWs) bands (ev): -16.6761 -16.6761 -16.6761 -16.6761 -7.0283 -7.0283 -7.0277 -7.0277 -6.2490 -6.2490 -6.2490 -6.2490 -5.8063 -5.8063 -5.8054 -5.8054 -2.5969 -2.5969 -2.5965 -2.5965 -0.6133 -0.6133 -0.6133 -0.6133 -0.2573 -0.2573 -0.2573 -0.2573 7.7996 7.7996 7.7997 7.7997 8.2695 8.2695 8.2695 8.2695 k =-0.1132 0.1088 0.3976 ( 3132 PWs) bands (ev): -16.6733 -16.6733 -16.6733 -16.6733 -7.0484 -7.0484 -7.0477 -7.0477 -6.2620 -6.2620 -6.2620 -6.2620 -5.7874 -5.7874 -5.7865 -5.7865 -2.5877 -2.5877 -2.5873 -2.5873 -0.6053 -0.6053 -0.6053 -0.6053 -0.2759 -0.2759 -0.2758 -0.2758 7.8173 7.8173 7.8174 7.8174 8.3165 8.3165 8.3165 8.3165 k =-0.1226 0.1179 0.3976 ( 3132 PWs) bands (ev): -16.6704 -16.6704 -16.6704 -16.6704 -7.0683 -7.0683 -7.0677 -7.0677 -6.2759 -6.2759 -6.2759 -6.2759 -5.7691 -5.7691 -5.7681 -5.7681 -2.5780 -2.5780 -2.5776 -2.5776 -0.5968 -0.5968 -0.5968 -0.5968 -0.2949 -0.2949 -0.2948 -0.2948 7.8355 7.8355 7.8357 7.8357 8.3671 8.3671 8.3671 8.3671 k =-0.1321 0.1270 0.3976 ( 3120 PWs) bands (ev): -16.6672 -16.6672 -16.6672 -16.6672 -7.0879 -7.0879 -7.0872 -7.0872 -6.2905 -6.2905 -6.2905 -6.2905 -5.7515 -5.7515 -5.7504 -5.7504 -2.5679 -2.5679 -2.5674 -2.5674 -0.5879 -0.5879 -0.5879 -0.5879 -0.3142 -0.3142 -0.3140 -0.3140 7.8540 7.8540 7.8542 7.8542 8.4211 8.4211 8.4211 8.4211 k =-0.1415 0.1360 0.3976 ( 3120 PWs) bands (ev): -16.6638 -16.6638 -16.6638 -16.6638 -7.1070 -7.1070 -7.1063 -7.1063 -6.3059 -6.3059 -6.3059 -6.3059 -5.7350 -5.7350 -5.7339 -5.7339 -2.5575 -2.5575 -2.5570 -2.5570 -0.5785 -0.5785 -0.5785 -0.5785 -0.3335 -0.3335 -0.3333 -0.3333 7.8726 7.8726 7.8728 7.8728 8.4783 8.4783 8.4783 8.4783 k =-0.1509 0.1451 0.3976 ( 3116 PWs) bands (ev): -16.6603 -16.6603 -16.6603 -16.6603 -7.1253 -7.1253 -7.1246 -7.1246 -6.3219 -6.3219 -6.3219 -6.3219 -5.7199 -5.7199 -5.7188 -5.7188 -2.5469 -2.5469 -2.5463 -2.5463 -0.5687 -0.5687 -0.5687 -0.5687 -0.3525 -0.3525 -0.3523 -0.3523 7.8911 7.8911 7.8913 7.8913 8.5385 8.5385 8.5385 8.5385 k =-0.1604 0.1542 0.3976 ( 3116 PWs) bands (ev): -16.6567 -16.6567 -16.6567 -16.6567 -7.1428 -7.1428 -7.1421 -7.1421 -6.3385 -6.3385 -6.3385 -6.3385 -5.7063 -5.7063 -5.7051 -5.7051 -2.5361 -2.5361 -2.5355 -2.5355 -0.5586 -0.5586 -0.5586 -0.5586 -0.3711 -0.3711 -0.3709 -0.3709 7.9094 7.9094 7.9096 7.9096 8.6014 8.6014 8.6014 8.6014 k =-0.1698 0.1632 0.3976 ( 3112 PWs) bands (ev): -16.6529 -16.6529 -16.6529 -16.6529 -7.1593 -7.1593 -7.1586 -7.1586 -6.3556 -6.3556 -6.3556 -6.3556 -5.6944 -5.6944 -5.6933 -5.6933 -2.5253 -2.5253 -2.5247 -2.5247 -0.5482 -0.5482 -0.5482 -0.5482 -0.3889 -0.3889 -0.3887 -0.3887 7.9272 7.9272 7.9275 7.9275 8.6670 8.6670 8.6670 8.6670 k =-0.1792 0.1723 0.3976 ( 3110 PWs) bands (ev): -16.6490 -16.6490 -16.6489 -16.6489 -7.1747 -7.1747 -7.1740 -7.1740 -6.3732 -6.3732 -6.3732 -6.3732 -5.6845 -5.6845 -5.6833 -5.6833 -2.5145 -2.5145 -2.5139 -2.5139 -0.5376 -0.5376 -0.5376 -0.5376 -0.4058 -0.4058 -0.4055 -0.4055 7.9444 7.9444 7.9447 7.9447 8.7350 8.7350 8.7350 8.7350 k =-0.1887 0.1814 0.3976 ( 3102 PWs) bands (ev): -16.6449 -16.6449 -16.6449 -16.6449 -7.1889 -7.1889 -7.1881 -7.1881 -6.3912 -6.3912 -6.3912 -6.3912 -5.6766 -5.6766 -5.6754 -5.6754 -2.5039 -2.5039 -2.5033 -2.5033 -0.5268 -0.5268 -0.5268 -0.5268 -0.4214 -0.4214 -0.4211 -0.4211 7.9610 7.9610 7.9613 7.9613 8.8050 8.8050 8.8050 8.8050 k =-0.1981 0.1904 0.3976 ( 3098 PWs) bands (ev): -16.6408 -16.6408 -16.6408 -16.6408 -7.2017 -7.2017 -7.2009 -7.2009 -6.4095 -6.4095 -6.4095 -6.4095 -5.6709 -5.6709 -5.6697 -5.6697 -2.4936 -2.4936 -2.4929 -2.4929 -0.5158 -0.5158 -0.5158 -0.5158 -0.4356 -0.4356 -0.4354 -0.4354 7.9766 7.9766 7.9770 7.9770 8.8769 8.8769 8.8769 8.8769 k =-0.2075 0.1995 0.3976 ( 3106 PWs) bands (ev): -16.6367 -16.6367 -16.6367 -16.6367 -7.2131 -7.2131 -7.2124 -7.2124 -6.4281 -6.4281 -6.4281 -6.4281 -5.6675 -5.6675 -5.6663 -5.6663 -2.4836 -2.4836 -2.4829 -2.4829 -0.5047 -0.5047 -0.5047 -0.5047 -0.4483 -0.4483 -0.4480 -0.4480 7.9912 7.9912 7.9916 7.9916 8.9504 8.9504 8.9504 8.9504 k =-0.2170 0.2086 0.3976 ( 3114 PWs) bands (ev): -16.6324 -16.6324 -16.6324 -16.6324 -7.2230 -7.2230 -7.2223 -7.2223 -6.4468 -6.4468 -6.4468 -6.4468 -5.6666 -5.6666 -5.6653 -5.6653 -2.4741 -2.4741 -2.4734 -2.4734 -0.4936 -0.4936 -0.4936 -0.4936 -0.4592 -0.4592 -0.4589 -0.4589 8.0046 8.0046 8.0051 8.0051 9.0251 9.0251 9.0251 9.0251 k =-0.2264 0.2176 0.3976 ( 3116 PWs) bands (ev): -16.6282 -16.6282 -16.6282 -16.6282 -7.2314 -7.2314 -7.2307 -7.2307 -6.4656 -6.4656 -6.4656 -6.4656 -5.6681 -5.6681 -5.6668 -5.6668 -2.4651 -2.4651 -2.4644 -2.4644 -0.4825 -0.4825 -0.4825 -0.4825 -0.4682 -0.4682 -0.4678 -0.4678 8.0167 8.0167 8.0172 8.0172 9.1008 9.1008 9.1008 9.1008 k =-0.2358 0.2267 0.3976 ( 3120 PWs) bands (ev): -16.6239 -16.6239 -16.6239 -16.6239 -7.2381 -7.2381 -7.2374 -7.2374 -6.4844 -6.4844 -6.4844 -6.4844 -5.6721 -5.6721 -5.6708 -5.6708 -2.4567 -2.4567 -2.4559 -2.4559 -0.4754 -0.4754 -0.4749 -0.4749 -0.4712 -0.4712 -0.4711 -0.4711 8.0271 8.0271 8.0277 8.0277 9.1771 9.1771 9.1771 9.1771 k =-0.2453 0.2358 0.3976 ( 3124 PWs) bands (ev): -16.6195 -16.6195 -16.6195 -16.6195 -7.2433 -7.2433 -7.2425 -7.2425 -6.5032 -6.5032 -6.5032 -6.5032 -5.6786 -5.6786 -5.6774 -5.6774 -2.4490 -2.4490 -2.4482 -2.4482 -0.4801 -0.4801 -0.4797 -0.4797 -0.4602 -0.4602 -0.4602 -0.4602 8.0358 8.0358 8.0363 8.0363 9.2536 9.2536 9.2536 9.2536 k =-0.2547 0.2448 0.3976 ( 3120 PWs) bands (ev): -16.6152 -16.6152 -16.6152 -16.6152 -7.2467 -7.2467 -7.2460 -7.2460 -6.5219 -6.5219 -6.5219 -6.5219 -5.6876 -5.6876 -5.6864 -5.6864 -2.4419 -2.4419 -2.4411 -2.4411 -0.4828 -0.4828 -0.4823 -0.4823 -0.4492 -0.4492 -0.4492 -0.4492 8.0423 8.0423 8.0429 8.0429 9.3301 9.3301 9.3301 9.3301 k =-0.2642 0.2539 0.3976 ( 3136 PWs) bands (ev): -16.6110 -16.6110 -16.6109 -16.6109 -7.2484 -7.2484 -7.2477 -7.2477 -6.5404 -6.5404 -6.5404 -6.5404 -5.6992 -5.6992 -5.6980 -5.6980 -2.4355 -2.4355 -2.4347 -2.4347 -0.4834 -0.4834 -0.4829 -0.4829 -0.4384 -0.4384 -0.4384 -0.4384 8.0464 8.0464 8.0471 8.0471 9.4062 9.4062 9.4062 9.4062 k =-0.2736 0.2630 0.3976 ( 3136 PWs) bands (ev): -16.6067 -16.6067 -16.6067 -16.6067 -7.2484 -7.2484 -7.2477 -7.2477 -6.5588 -6.5588 -6.5588 -6.5588 -5.7133 -5.7133 -5.7121 -5.7121 -2.4299 -2.4299 -2.4290 -2.4290 -0.4818 -0.4818 -0.4814 -0.4814 -0.4277 -0.4277 -0.4277 -0.4277 8.0479 8.0479 8.0485 8.0485 9.4815 9.4815 9.4815 9.4815 k =-0.2830 0.2721 0.3976 ( 3138 PWs) bands (ev): -16.6025 -16.6025 -16.6025 -16.6025 -7.2466 -7.2466 -7.2459 -7.2459 -6.5768 -6.5768 -6.5768 -6.5768 -5.7298 -5.7298 -5.7286 -5.7286 -2.4249 -2.4249 -2.4241 -2.4241 -0.4783 -0.4783 -0.4778 -0.4778 -0.4172 -0.4172 -0.4172 -0.4172 8.0463 8.0463 8.0469 8.0469 9.5556 9.5556 9.5556 9.5556 k =-0.2925 0.2811 0.3976 ( 3142 PWs) bands (ev): -16.5983 -16.5983 -16.5983 -16.5983 -7.2431 -7.2431 -7.2424 -7.2424 -6.5945 -6.5945 -6.5945 -6.5945 -5.7486 -5.7486 -5.7474 -5.7474 -2.4207 -2.4207 -2.4199 -2.4199 -0.4727 -0.4727 -0.4722 -0.4722 -0.4069 -0.4069 -0.4069 -0.4069 8.0413 8.0413 8.0421 8.0421 9.5589 9.5589 9.5591 9.5591 k =-0.3019 0.2902 0.3976 ( 3138 PWs) bands (ev): -16.5942 -16.5942 -16.5942 -16.5942 -7.2378 -7.2378 -7.2371 -7.2371 -6.6118 -6.6118 -6.6118 -6.6118 -5.7696 -5.7696 -5.7684 -5.7684 -2.4171 -2.4171 -2.4163 -2.4163 -0.4653 -0.4653 -0.4648 -0.4648 -0.3969 -0.3969 -0.3968 -0.3968 8.0329 8.0329 8.0336 8.0336 9.5431 9.5431 9.5433 9.5433 k =-0.3113 0.2993 0.3976 ( 3130 PWs) bands (ev): -16.5902 -16.5902 -16.5902 -16.5902 -7.2308 -7.2308 -7.2301 -7.2301 -6.6286 -6.6286 -6.6286 -6.6286 -5.7928 -5.7928 -5.7916 -5.7916 -2.4141 -2.4141 -2.4133 -2.4133 -0.4562 -0.4562 -0.4557 -0.4557 -0.3871 -0.3871 -0.3871 -0.3871 8.0208 8.0208 8.0216 8.0216 9.5317 9.5317 9.5319 9.5319 k =-0.3208 0.3083 0.3976 ( 3134 PWs) bands (ev): -16.5863 -16.5863 -16.5863 -16.5863 -7.2221 -7.2221 -7.2214 -7.2214 -6.6449 -6.6449 -6.6449 -6.6449 -5.8179 -5.8179 -5.8168 -5.8168 -2.4117 -2.4117 -2.4109 -2.4109 -0.4457 -0.4457 -0.4452 -0.4452 -0.3777 -0.3777 -0.3777 -0.3777 8.0051 8.0051 8.0058 8.0058 9.5251 9.5251 9.5253 9.5253 k =-0.3302 0.3174 0.3976 ( 3126 PWs) bands (ev): -16.5825 -16.5825 -16.5825 -16.5825 -7.2117 -7.2117 -7.2110 -7.2110 -6.6607 -6.6607 -6.6607 -6.6607 -5.8449 -5.8449 -5.8438 -5.8438 -2.4098 -2.4098 -2.4091 -2.4091 -0.4337 -0.4337 -0.4333 -0.4333 -0.3686 -0.3686 -0.3686 -0.3686 7.9858 7.9858 7.9865 7.9865 9.5238 9.5238 9.5240 9.5240 k =-0.3396 0.3265 0.3976 ( 3128 PWs) bands (ev): -16.5789 -16.5789 -16.5789 -16.5789 -7.1997 -7.1997 -7.1990 -7.1990 -6.6759 -6.6759 -6.6759 -6.6759 -5.8735 -5.8735 -5.8724 -5.8724 -2.4084 -2.4084 -2.4077 -2.4077 -0.4208 -0.4208 -0.4203 -0.4203 -0.3598 -0.3598 -0.3598 -0.3598 7.9633 7.9633 7.9640 7.9640 9.5280 9.5280 9.5281 9.5281 k =-0.3491 0.3355 0.3976 ( 3132 PWs) bands (ev): -16.5754 -16.5754 -16.5754 -16.5754 -7.1862 -7.1862 -7.1855 -7.1855 -6.6905 -6.6905 -6.6905 -6.6905 -5.9037 -5.9037 -5.9026 -5.9026 -2.4074 -2.4074 -2.4067 -2.4067 -0.4069 -0.4069 -0.4065 -0.4065 -0.3515 -0.3515 -0.3515 -0.3515 7.9379 7.9379 7.9386 7.9386 9.5375 9.5375 9.5376 9.5376 k =-0.3585 0.3446 0.3976 ( 3124 PWs) bands (ev): -16.5720 -16.5720 -16.5720 -16.5720 -7.1712 -7.1712 -7.1705 -7.1705 -6.7044 -6.7044 -6.7044 -6.7044 -5.9350 -5.9350 -5.9339 -5.9339 -2.4067 -2.4067 -2.4061 -2.4061 -0.3924 -0.3924 -0.3920 -0.3920 -0.3436 -0.3436 -0.3436 -0.3436 7.9101 7.9101 7.9108 7.9108 9.5522 9.5522 9.5523 9.5523 k =-0.3679 0.3537 0.3976 ( 3116 PWs) bands (ev): -16.5688 -16.5688 -16.5688 -16.5688 -7.1548 -7.1548 -7.1541 -7.1541 -6.7175 -6.7175 -6.7175 -6.7175 -5.9674 -5.9674 -5.9663 -5.9663 -2.4063 -2.4063 -2.4057 -2.4057 -0.3775 -0.3775 -0.3771 -0.3771 -0.3361 -0.3361 -0.3361 -0.3361 7.8807 7.8807 7.8813 7.8813 9.5717 9.5717 9.5719 9.5719 k =-0.3774 0.3627 0.3976 ( 3128 PWs) bands (ev): -16.5658 -16.5658 -16.5658 -16.5658 -7.1372 -7.1372 -7.1365 -7.1365 -6.7300 -6.7300 -6.7300 -6.7300 -6.0006 -6.0006 -5.9996 -5.9996 -2.4062 -2.4062 -2.4056 -2.4056 -0.3624 -0.3624 -0.3620 -0.3620 -0.3290 -0.3290 -0.3290 -0.3290 7.8500 7.8500 7.8506 7.8506 9.5954 9.5954 9.5956 9.5956 k =-0.3868 0.3718 0.3976 ( 3120 PWs) bands (ev): -16.5630 -16.5630 -16.5630 -16.5630 -7.1185 -7.1185 -7.1178 -7.1178 -6.7416 -6.7416 -6.7416 -6.7416 -6.0343 -6.0343 -6.0333 -6.0333 -2.4063 -2.4063 -2.4057 -2.4057 -0.3474 -0.3474 -0.3470 -0.3470 -0.3224 -0.3224 -0.3224 -0.3224 7.8189 7.8189 7.8194 7.8194 9.6229 9.6229 9.6231 9.6231 k =-0.3962 0.3809 0.3976 ( 3122 PWs) bands (ev): -16.5604 -16.5604 -16.5604 -16.5604 -7.0988 -7.0988 -7.0981 -7.0981 -6.7524 -6.7524 -6.7524 -6.7524 -6.0682 -6.0682 -6.0673 -6.0673 -2.4065 -2.4065 -2.4059 -2.4059 -0.3326 -0.3326 -0.3322 -0.3322 -0.3163 -0.3163 -0.3162 -0.3162 7.7879 7.7879 7.7884 7.7884 9.6532 9.6532 9.6534 9.6534 k =-0.4057 0.3899 0.3976 ( 3130 PWs) bands (ev): -16.5580 -16.5580 -16.5580 -16.5580 -7.0784 -7.0784 -7.0777 -7.0777 -6.7624 -6.7624 -6.7624 -6.7624 -6.1021 -6.1021 -6.1012 -6.1012 -2.4068 -2.4068 -2.4063 -2.4063 -0.3184 -0.3184 -0.3181 -0.3181 -0.3106 -0.3106 -0.3105 -0.3105 7.7576 7.7576 7.7580 7.7580 9.6857 9.6857 9.6860 9.6860 k =-0.4151 0.3990 0.3976 ( 3130 PWs) bands (ev): -16.5557 -16.5557 -16.5557 -16.5557 -7.0575 -7.0575 -7.0569 -7.0569 -6.7715 -6.7715 -6.7715 -6.7715 -6.1355 -6.1355 -6.1347 -6.1347 -2.4071 -2.4071 -2.4067 -2.4067 -0.3064 -0.3064 -0.3062 -0.3062 -0.3037 -0.3037 -0.3037 -0.3037 7.7285 7.7285 7.7289 7.7289 9.7196 9.7196 9.7198 9.7198 k =-0.4245 0.4081 0.3976 ( 3130 PWs) bands (ev): -16.5537 -16.5537 -16.5537 -16.5537 -7.0365 -7.0365 -7.0359 -7.0359 -6.7797 -6.7797 -6.7797 -6.7797 -6.1680 -6.1680 -6.1672 -6.1672 -2.4075 -2.4075 -2.4072 -2.4072 -0.3011 -0.3011 -0.3011 -0.3011 -0.2917 -0.2917 -0.2915 -0.2915 7.7012 7.7012 7.7016 7.7016 9.7539 9.7539 9.7541 9.7541 k =-0.4340 0.4171 0.3976 ( 3134 PWs) bands (ev): -16.5520 -16.5520 -16.5520 -16.5520 -7.0157 -7.0157 -7.0151 -7.0151 -6.7870 -6.7870 -6.7869 -6.7869 -6.1992 -6.1992 -6.1985 -6.1985 -2.4079 -2.4079 -2.4076 -2.4076 -0.2970 -0.2970 -0.2969 -0.2969 -0.2801 -0.2801 -0.2799 -0.2799 7.6761 7.6761 7.6765 7.6765 9.7877 9.7877 9.7879 9.7879 k =-0.4434 0.4262 0.3976 ( 3130 PWs) bands (ev): -16.5504 -16.5504 -16.5504 -16.5504 -6.9956 -6.9956 -6.9950 -6.9950 -6.7933 -6.7933 -6.7933 -6.7933 -6.2284 -6.2284 -6.2277 -6.2277 -2.4083 -2.4083 -2.4080 -2.4080 -0.2933 -0.2933 -0.2933 -0.2933 -0.2696 -0.2696 -0.2694 -0.2694 7.6536 7.6536 7.6539 7.6539 9.8200 9.8200 9.8202 9.8202 k =-0.4528 0.4353 0.3976 ( 3126 PWs) bands (ev): -16.5491 -16.5491 -16.5490 -16.5490 -6.9767 -6.9767 -6.9763 -6.9763 -6.7987 -6.7987 -6.7987 -6.7987 -6.2551 -6.2551 -6.2545 -6.2545 -2.4087 -2.4087 -2.4084 -2.4084 -0.2903 -0.2903 -0.2903 -0.2903 -0.2605 -0.2605 -0.2603 -0.2603 7.6341 7.6341 7.6343 7.6343 9.8498 9.8498 9.8500 9.8500 k =-0.4623 0.4444 0.3976 ( 3122 PWs) bands (ev): -16.5480 -16.5480 -16.5480 -16.5480 -6.9598 -6.9598 -6.9594 -6.9594 -6.8031 -6.8031 -6.8031 -6.8031 -6.2785 -6.2785 -6.2780 -6.2780 -2.4090 -2.4090 -2.4088 -2.4088 -0.2878 -0.2878 -0.2878 -0.2878 -0.2529 -0.2529 -0.2527 -0.2527 7.6177 7.6177 7.6179 7.6179 9.8759 9.8759 9.8761 9.8761 k =-0.4717 0.4534 0.3976 ( 3126 PWs) bands (ev): -16.5471 -16.5471 -16.5471 -16.5471 -6.9455 -6.9455 -6.9452 -6.9452 -6.8066 -6.8066 -6.8065 -6.8065 -6.2978 -6.2978 -6.2974 -6.2974 -2.4092 -2.4092 -2.4091 -2.4091 -0.2858 -0.2858 -0.2858 -0.2858 -0.2468 -0.2468 -0.2467 -0.2467 7.6047 7.6047 7.6048 7.6048 9.8976 9.8976 9.8977 9.8977 k =-0.4811 0.4625 0.3976 ( 3114 PWs) bands (ev): -16.5465 -16.5465 -16.5465 -16.5465 -6.9346 -6.9346 -6.9343 -6.9343 -6.8090 -6.8090 -6.8090 -6.8090 -6.3123 -6.3123 -6.3120 -6.3120 -2.4094 -2.4094 -2.4093 -2.4093 -0.2844 -0.2844 -0.2844 -0.2844 -0.2424 -0.2424 -0.2424 -0.2424 7.5953 7.5953 7.5954 7.5954 9.9138 9.9138 9.9138 9.9138 k =-0.4906 0.4716 0.3976 ( 3120 PWs) bands (ev): -16.5461 -16.5461 -16.5461 -16.5461 -6.9277 -6.9277 -6.9276 -6.9276 -6.8105 -6.8105 -6.8105 -6.8105 -6.3213 -6.3213 -6.3212 -6.3212 -2.4095 -2.4095 -2.4094 -2.4094 -0.2836 -0.2836 -0.2836 -0.2836 -0.2398 -0.2398 -0.2397 -0.2397 7.5897 7.5897 7.5897 7.5897 9.9238 9.9238 9.9238 9.9238 k =-0.5000 0.4806 0.3976 ( 3120 PWs) bands (ev): -16.5460 -16.5460 -16.5460 -16.5460 -6.9253 -6.9253 -6.9253 -6.9253 -6.8110 -6.8110 -6.8110 -6.8110 -6.3243 -6.3243 -6.3243 -6.3243 -2.4095 -2.4095 -2.4095 -2.4095 -0.2833 -0.2833 -0.2833 -0.2833 -0.2389 -0.2389 -0.2389 -0.2389 7.5878 7.5878 7.5878 7.5878 9.9272 9.9272 9.9272 9.9272 Writing output data file BH6N.save init_run : 0.51s CPU 0.30s WALL ( 1 calls) electrons : 258.46s CPU 146.30s WALL ( 1 calls) Called by init_run: wfcinit : 0.01s CPU 0.01s WALL ( 1 calls) potinit : 0.13s CPU 0.07s WALL ( 1 calls) Called by electrons: c_bands : 258.45s CPU 146.29s WALL ( 1 calls) v_of_rho : 0.06s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.06s CPU 0.03s WALL ( 1 calls) newd : 0.03s CPU 0.02s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.16s CPU 0.28s WALL ( 428 calls) cegterg : 226.38s CPU 126.00s WALL ( 483 calls) Called by sum_band: Called by *egterg: h_psi : 136.94s CPU 75.82s WALL ( 8493 calls) s_psi : 3.35s CPU 1.84s WALL ( 8493 calls) g_psi : 0.28s CPU 0.15s WALL ( 7582 calls) cdiaghg : 89.04s CPU 49.98s WALL ( 8010 calls) cegterg:over : 8.28s CPU 4.39s WALL ( 7582 calls) cegterg:upda : 5.96s CPU 3.19s WALL ( 7582 calls) cegterg:last : 3.44s CPU 1.93s WALL ( 1339 calls) cdiaghg:chol : 4.44s CPU 2.57s WALL ( 8010 calls) cdiaghg:inve : 2.27s CPU 1.26s WALL ( 8010 calls) cdiaghg:para : 4.70s CPU 2.68s WALL ( 16020 calls) Called by h_psi: h_psi:vloc : 126.60s CPU 70.11s WALL ( 8493 calls) h_psi:vnl : 10.13s CPU 5.57s WALL ( 8493 calls) add_vuspsi : 4.50s CPU 2.44s WALL ( 8493 calls) General routines calbec : 5.58s CPU 3.10s WALL ( 8493 calls) fft : 0.05s CPU 0.02s WALL ( 19 calls) ffts : 0.02s CPU 0.01s WALL ( 4 calls) fftw : 119.39s CPU 66.21s WALL ( 661708 calls) interpolate : 0.03s CPU 0.01s WALL ( 4 calls) davcio : 0.58s CPU 0.63s WALL ( 856 calls) Parallel routines fft_scatter : 54.89s CPU 30.62s WALL ( 661731 calls) PWSCF : 4m31.54s CPU 2m52.59s WALL This run was terminated on: 1:54:24 12Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=