Program PWSCF v.5.3.0 (svn rev. 11974) starts on 31Jan2017 at 4:29:13 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 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: ./H2C3S.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 65 36 10 2461 1032 156 Max 66 37 11 2464 1045 161 Sum 4689 2635 751 177261 74793 11349 bravais-lattice index = 14 lattice parameter (alat) = 13.6239 a.u. unit-cell volume = 1775.6747 (a.u.)^3 number of atoms/cell = 12 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 46.0000 Ry charge density cutoff = 327.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.623915 celldm(2)= 1.000000 celldm(3)= 0.724048 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.243830 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.243830 0.969818 0.000000 ) a(3) = ( 0.000000 0.000000 0.724048 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 0.251419 -0.000000 ) b(2) = ( 0.000000 1.031121 -0.000000 ) b(3) = ( 0.000000 0.000000 1.381124 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for H read from file: /users/gautes/Pseudo/H.rel-pbe-rrkjus_psl.1.0.0.UPF MD5 check sum: 34277445e838504cb8bc9abe3bdfc49d Pseudo is Ultrasoft, Zval = 1.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 929 points, 2 beta functions with: l(1) = 0 l(2) = 0 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for C read from file: /users/gautes/Pseudo/C.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: de79cff2a1a990998107dfc0a7a38bf3 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1073 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) H 1.00 1.00790 H( 1.00) C 4.00 12.01070 C( 1.00) 4 Sym. Ops., with inversion, found ( 2 have fractional translation) s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [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 ) ( -0.3620240 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( 0.0000000 ) ( 0 0 -1 ) ( 0.5000000 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) f =( 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.3620240 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 300 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 2) = ( 0.0138615 0.0177780 -0.0000000), wk = 0.0033333 k( 3) = ( 0.0277230 0.0355559 -0.0000000), wk = 0.0033333 k( 4) = ( 0.0415846 0.0533339 -0.0000000), wk = 0.0033333 k( 5) = ( 0.0554461 0.0711118 -0.0000000), wk = 0.0033333 k( 6) = ( 0.0693076 0.0888898 -0.0000000), wk = 0.0033333 k( 7) = ( 0.0831691 0.1066677 -0.0000000), wk = 0.0033333 k( 8) = ( 0.0970306 0.1244457 -0.0000000), wk = 0.0033333 k( 9) = ( 0.1108922 0.1422236 -0.0000000), wk = 0.0033333 k( 10) = ( 0.1247537 0.1600016 -0.0000000), wk = 0.0033333 k( 11) = ( 0.1386152 0.1777796 -0.0000000), wk = 0.0033333 k( 12) = ( 0.1524767 0.1955575 -0.0000000), wk = 0.0033333 k( 13) = ( 0.1663382 0.2133355 -0.0000000), wk = 0.0033333 k( 14) = ( 0.1801998 0.2311134 -0.0000000), wk = 0.0033333 k( 15) = ( 0.1940613 0.2488914 -0.0000000), wk = 0.0033333 k( 16) = ( 0.2079228 0.2666693 -0.0000000), wk = 0.0033333 k( 17) = ( 0.2217843 0.2844473 -0.0000000), wk = 0.0033333 k( 18) = ( 0.2356458 0.3022252 -0.0000000), wk = 0.0033333 k( 19) = ( 0.2495074 0.3200032 -0.0000000), wk = 0.0033333 k( 20) = ( 0.2633689 0.3377811 -0.0000000), wk = 0.0033333 k( 21) = ( 0.2772304 0.3555591 -0.0000000), wk = 0.0033333 k( 22) = ( 0.2910919 0.3733371 -0.0000000), wk = 0.0033333 k( 23) = ( 0.3049535 0.3911150 -0.0000000), wk = 0.0033333 k( 24) = ( 0.3188150 0.4088930 -0.0000000), wk = 0.0033333 k( 25) = ( 0.3326765 0.4266709 -0.0000000), wk = 0.0033333 k( 26) = ( 0.3465380 0.4444489 -0.0000000), wk = 0.0033333 k( 27) = ( 0.3603995 0.4622268 -0.0000000), wk = 0.0033333 k( 28) = ( 0.3742610 0.4800048 -0.0000000), wk = 0.0033333 k( 29) = ( 0.3881226 0.4977827 -0.0000000), wk = 0.0033333 k( 30) = ( 0.4019841 0.5155607 -0.0000000), wk = 0.0033333 k( 31) = ( 0.4019841 0.5155607 -0.0000000), wk = 0.0033333 k( 32) = ( 0.3796517 0.5155607 -0.0000000), wk = 0.0033333 k( 33) = ( 0.3573192 0.5155607 -0.0000000), wk = 0.0033333 k( 34) = ( 0.3349867 0.5155607 -0.0000000), wk = 0.0033333 k( 35) = ( 0.3126543 0.5155607 -0.0000000), wk = 0.0033333 k( 36) = ( 0.2903218 0.5155607 -0.0000000), wk = 0.0033333 k( 37) = ( 0.2679894 0.5155607 -0.0000000), wk = 0.0033333 k( 38) = ( 0.2456570 0.5155607 -0.0000000), wk = 0.0033333 k( 39) = ( 0.2233245 0.5155607 -0.0000000), wk = 0.0033333 k( 40) = ( 0.2009921 0.5155607 -0.0000000), wk = 0.0033333 k( 41) = ( 0.1786596 0.5155607 -0.0000000), wk = 0.0033333 k( 42) = ( 0.1563271 0.5155607 -0.0000000), wk = 0.0033333 k( 43) = ( 0.1339947 0.5155607 -0.0000000), wk = 0.0033333 k( 44) = ( 0.1116623 0.5155607 -0.0000000), wk = 0.0033333 k( 45) = ( 0.0893298 0.5155607 -0.0000000), wk = 0.0033333 k( 46) = ( 0.0669973 0.5155607 -0.0000000), wk = 0.0033333 k( 47) = ( 0.0446649 0.5155607 -0.0000000), wk = 0.0033333 k( 48) = ( 0.0223325 0.5155607 -0.0000000), wk = 0.0033333 k( 49) = ( 0.0000000 0.5155607 -0.0000000), wk = 0.0033333 k( 50) = ( 0.0000000 0.5155607 -0.0000000), wk = 0.0033333 k( 51) = ( 0.0000000 0.5155607 0.0222762), wk = 0.0033333 k( 52) = ( 0.0000000 0.5155607 0.0445524), wk = 0.0033333 k( 53) = ( 0.0000000 0.5155607 0.0668286), wk = 0.0033333 k( 54) = ( 0.0000000 0.5155607 0.0891048), wk = 0.0033333 k( 55) = ( 0.0000000 0.5155607 0.1113809), wk = 0.0033333 k( 56) = ( 0.0000000 0.5155607 0.1336571), wk = 0.0033333 k( 57) = ( 0.0000000 0.5155607 0.1559333), wk = 0.0033333 k( 58) = ( 0.0000000 0.5155607 0.1782095), wk = 0.0033333 k( 59) = ( 0.0000000 0.5155607 0.2004857), wk = 0.0033333 k( 60) = ( 0.0000000 0.5155607 0.2227619), wk = 0.0033333 k( 61) = ( 0.0000000 0.5155607 0.2450381), wk = 0.0033333 k( 62) = ( 0.0000000 0.5155607 0.2673143), wk = 0.0033333 k( 63) = ( 0.0000000 0.5155607 0.2895905), wk = 0.0033333 k( 64) = ( 0.0000000 0.5155607 0.3118666), wk = 0.0033333 k( 65) = ( 0.0000000 0.5155607 0.3341428), wk = 0.0033333 k( 66) = ( 0.0000000 0.5155607 0.3564190), wk = 0.0033333 k( 67) = ( 0.0000000 0.5155607 0.3786952), wk = 0.0033333 k( 68) = ( 0.0000000 0.5155607 0.4009714), wk = 0.0033333 k( 69) = ( 0.0000000 0.5155607 0.4232476), wk = 0.0033333 k( 70) = ( 0.0000000 0.5155607 0.4455238), wk = 0.0033333 k( 71) = ( 0.0000000 0.5155607 0.4678000), wk = 0.0033333 k( 72) = ( 0.0000000 0.5155607 0.4900762), wk = 0.0033333 k( 73) = ( 0.0000000 0.5155607 0.5123524), wk = 0.0033333 k( 74) = ( 0.0000000 0.5155607 0.5346285), wk = 0.0033333 k( 75) = ( 0.0000000 0.5155607 0.5569047), wk = 0.0033333 k( 76) = ( 0.0000000 0.5155607 0.5791809), wk = 0.0033333 k( 77) = ( 0.0000000 0.5155607 0.6014571), wk = 0.0033333 k( 78) = ( 0.0000000 0.5155607 0.6237333), wk = 0.0033333 k( 79) = ( 0.0000000 0.5155607 0.6460095), wk = 0.0033333 k( 80) = ( 0.0000000 0.5155607 0.6682857), wk = 0.0033333 k( 81) = ( 0.0000000 0.5155607 0.6905619), wk = 0.0033333 k( 82) = ( 0.0000000 0.5155607 0.6905619), wk = 0.0033333 k( 83) = ( 0.0223325 0.5155607 0.6905619), wk = 0.0033333 k( 84) = ( 0.0446649 0.5155607 0.6905619), wk = 0.0033333 k( 85) = ( 0.0669973 0.5155607 0.6905619), wk = 0.0033333 k( 86) = ( 0.0893298 0.5155607 0.6905619), wk = 0.0033333 k( 87) = ( 0.1116623 0.5155607 0.6905619), wk = 0.0033333 k( 88) = ( 0.1339947 0.5155607 0.6905619), wk = 0.0033333 k( 89) = ( 0.1563271 0.5155607 0.6905619), wk = 0.0033333 k( 90) = ( 0.1786596 0.5155607 0.6905619), wk = 0.0033333 k( 91) = ( 0.2009921 0.5155607 0.6905619), wk = 0.0033333 k( 92) = ( 0.2233245 0.5155607 0.6905619), wk = 0.0033333 k( 93) = ( 0.2456570 0.5155607 0.6905619), wk = 0.0033333 k( 94) = ( 0.2679894 0.5155607 0.6905619), wk = 0.0033333 k( 95) = ( 0.2903218 0.5155607 0.6905619), wk = 0.0033333 k( 96) = ( 0.3126543 0.5155607 0.6905619), wk = 0.0033333 k( 97) = ( 0.3349867 0.5155607 0.6905619), wk = 0.0033333 k( 98) = ( 0.3573192 0.5155607 0.6905619), wk = 0.0033333 k( 99) = ( 0.3796517 0.5155607 0.6905619), wk = 0.0033333 k( 100) = ( 0.4019841 0.5155607 0.6905619), wk = 0.0033333 k( 101) = ( 0.4019841 0.5155607 0.6905619), wk = 0.0033333 k( 102) = ( 0.3881226 0.4977827 0.6905619), wk = 0.0033333 k( 103) = ( 0.3742610 0.4800048 0.6905619), wk = 0.0033333 k( 104) = ( 0.3603995 0.4622268 0.6905619), wk = 0.0033333 k( 105) = ( 0.3465380 0.4444489 0.6905619), wk = 0.0033333 k( 106) = ( 0.3326765 0.4266709 0.6905619), wk = 0.0033333 k( 107) = ( 0.3188150 0.4088930 0.6905619), wk = 0.0033333 k( 108) = ( 0.3049535 0.3911150 0.6905619), wk = 0.0033333 k( 109) = ( 0.2910919 0.3733371 0.6905619), wk = 0.0033333 k( 110) = ( 0.2772304 0.3555591 0.6905619), wk = 0.0033333 k( 111) = ( 0.2633689 0.3377811 0.6905619), wk = 0.0033333 k( 112) = ( 0.2495074 0.3200032 0.6905619), wk = 0.0033333 k( 113) = ( 0.2356458 0.3022252 0.6905619), wk = 0.0033333 k( 114) = ( 0.2217843 0.2844473 0.6905619), wk = 0.0033333 k( 115) = ( 0.2079228 0.2666693 0.6905619), wk = 0.0033333 k( 116) = ( 0.1940613 0.2488914 0.6905619), wk = 0.0033333 k( 117) = ( 0.1801998 0.2311134 0.6905619), wk = 0.0033333 k( 118) = ( 0.1663382 0.2133355 0.6905619), wk = 0.0033333 k( 119) = ( 0.1524767 0.1955575 0.6905619), wk = 0.0033333 k( 120) = ( 0.1386152 0.1777796 0.6905619), wk = 0.0033333 k( 121) = ( 0.1247537 0.1600016 0.6905619), wk = 0.0033333 k( 122) = ( 0.1108922 0.1422236 0.6905619), wk = 0.0033333 k( 123) = ( 0.0970306 0.1244457 0.6905619), wk = 0.0033333 k( 124) = ( 0.0831691 0.1066677 0.6905619), wk = 0.0033333 k( 125) = ( 0.0693076 0.0888898 0.6905619), wk = 0.0033333 k( 126) = ( 0.0554461 0.0711118 0.6905619), wk = 0.0033333 k( 127) = ( 0.0415846 0.0533339 0.6905619), wk = 0.0033333 k( 128) = ( 0.0277230 0.0355559 0.6905619), wk = 0.0033333 k( 129) = ( 0.0138615 0.0177780 0.6905619), wk = 0.0033333 k( 130) = ( 0.0000000 0.0000000 0.6905619), wk = 0.0033333 k( 131) = ( 0.0000000 0.0000000 0.6905619), wk = 0.0033333 k( 132) = ( 0.0000000 0.0000000 0.6682857), wk = 0.0033333 k( 133) = ( 0.0000000 0.0000000 0.6460095), wk = 0.0033333 k( 134) = ( 0.0000000 0.0000000 0.6237333), wk = 0.0033333 k( 135) = ( 0.0000000 0.0000000 0.6014571), wk = 0.0033333 k( 136) = ( 0.0000000 0.0000000 0.5791809), wk = 0.0033333 k( 137) = ( 0.0000000 0.0000000 0.5569047), wk = 0.0033333 k( 138) = ( 0.0000000 0.0000000 0.5346285), wk = 0.0033333 k( 139) = ( 0.0000000 0.0000000 0.5123524), wk = 0.0033333 k( 140) = ( 0.0000000 0.0000000 0.4900762), wk = 0.0033333 k( 141) = ( 0.0000000 0.0000000 0.4678000), wk = 0.0033333 k( 142) = ( 0.0000000 0.0000000 0.4455238), wk = 0.0033333 k( 143) = ( 0.0000000 0.0000000 0.4232476), wk = 0.0033333 k( 144) = ( 0.0000000 0.0000000 0.4009714), wk = 0.0033333 k( 145) = ( 0.0000000 0.0000000 0.3786952), wk = 0.0033333 k( 146) = ( 0.0000000 0.0000000 0.3564190), wk = 0.0033333 k( 147) = ( 0.0000000 0.0000000 0.3341428), wk = 0.0033333 k( 148) = ( 0.0000000 0.0000000 0.3118666), wk = 0.0033333 k( 149) = ( 0.0000000 0.0000000 0.2895905), wk = 0.0033333 k( 150) = ( 0.0000000 0.0000000 0.2673143), wk = 0.0033333 k( 151) = ( 0.0000000 0.0000000 0.2450381), wk = 0.0033333 k( 152) = ( 0.0000000 0.0000000 0.2227619), wk = 0.0033333 k( 153) = ( 0.0000000 0.0000000 0.2004857), wk = 0.0033333 k( 154) = ( 0.0000000 0.0000000 0.1782095), wk = 0.0033333 k( 155) = ( 0.0000000 0.0000000 0.1559333), wk = 0.0033333 k( 156) = ( 0.0000000 0.0000000 0.1336571), wk = 0.0033333 k( 157) = ( 0.0000000 0.0000000 0.1113809), wk = 0.0033333 k( 158) = ( 0.0000000 0.0000000 0.0891048), wk = 0.0033333 k( 159) = ( 0.0000000 0.0000000 0.0668286), wk = 0.0033333 k( 160) = ( 0.0000000 0.0000000 0.0445524), wk = 0.0033333 k( 161) = ( 0.0000000 0.0000000 0.0222762), wk = 0.0033333 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 164) = ( -0.0178571 0.0139233 -0.0000000), wk = 0.0033333 k( 165) = ( -0.0357143 0.0278465 -0.0000000), wk = 0.0033333 k( 166) = ( -0.0535714 0.0417698 -0.0000000), wk = 0.0033333 k( 167) = ( -0.0714286 0.0556931 -0.0000000), wk = 0.0033333 k( 168) = ( -0.0892857 0.0696163 -0.0000000), wk = 0.0033333 k( 169) = ( -0.1071429 0.0835396 -0.0000000), wk = 0.0033333 k( 170) = ( -0.1250000 0.0974628 -0.0000000), wk = 0.0033333 k( 171) = ( -0.1428571 0.1113861 -0.0000000), wk = 0.0033333 k( 172) = ( -0.1607143 0.1253094 -0.0000000), wk = 0.0033333 k( 173) = ( -0.1785714 0.1392326 -0.0000000), wk = 0.0033333 k( 174) = ( -0.1964286 0.1531559 -0.0000000), wk = 0.0033333 k( 175) = ( -0.2142857 0.1670792 -0.0000000), wk = 0.0033333 k( 176) = ( -0.2321429 0.1810024 -0.0000000), wk = 0.0033333 k( 177) = ( -0.2500000 0.1949257 -0.0000000), wk = 0.0033333 k( 178) = ( -0.2678571 0.2088489 -0.0000000), wk = 0.0033333 k( 179) = ( -0.2857143 0.2227722 -0.0000000), wk = 0.0033333 k( 180) = ( -0.3035714 0.2366955 -0.0000000), wk = 0.0033333 k( 181) = ( -0.3214286 0.2506187 -0.0000000), wk = 0.0033333 k( 182) = ( -0.3392857 0.2645420 -0.0000000), wk = 0.0033333 k( 183) = ( -0.3571429 0.2784653 -0.0000000), wk = 0.0033333 k( 184) = ( -0.3750000 0.2923885 -0.0000000), wk = 0.0033333 k( 185) = ( -0.3928571 0.3063118 -0.0000000), wk = 0.0033333 k( 186) = ( -0.4107143 0.3202351 -0.0000000), wk = 0.0033333 k( 187) = ( -0.4285714 0.3341583 -0.0000000), wk = 0.0033333 k( 188) = ( -0.4464286 0.3480816 -0.0000000), wk = 0.0033333 k( 189) = ( -0.4642857 0.3620048 -0.0000000), wk = 0.0033333 k( 190) = ( -0.4821429 0.3759281 -0.0000000), wk = 0.0033333 k( 191) = ( -0.5000000 0.3898514 -0.0000000), wk = 0.0033333 k( 192) = ( -0.5000000 0.3898514 -0.0000000), wk = 0.0033333 k( 193) = ( -0.4859977 0.4078098 -0.0000000), wk = 0.0033333 k( 194) = ( -0.4719955 0.4257683 -0.0000000), wk = 0.0033333 k( 195) = ( -0.4579932 0.4437268 -0.0000000), wk = 0.0033333 k( 196) = ( -0.4439909 0.4616853 -0.0000000), wk = 0.0033333 k( 197) = ( -0.4299886 0.4796437 -0.0000000), wk = 0.0033333 k( 198) = ( -0.4159864 0.4976022 -0.0000000), wk = 0.0033333 k( 199) = ( -0.4019841 0.5155607 -0.0000000), wk = 0.0033333 k( 200) = ( -0.4019841 0.5155607 -0.0000000), wk = 0.0033333 k( 201) = ( -0.4019841 0.5155607 0.0222762), wk = 0.0033333 k( 202) = ( -0.4019841 0.5155607 0.0445524), wk = 0.0033333 k( 203) = ( -0.4019841 0.5155607 0.0668286), wk = 0.0033333 k( 204) = ( -0.4019841 0.5155607 0.0891048), wk = 0.0033333 k( 205) = ( -0.4019841 0.5155607 0.1113809), wk = 0.0033333 k( 206) = ( -0.4019841 0.5155607 0.1336571), wk = 0.0033333 k( 207) = ( -0.4019841 0.5155607 0.1559333), wk = 0.0033333 k( 208) = ( -0.4019841 0.5155607 0.1782095), wk = 0.0033333 k( 209) = ( -0.4019841 0.5155607 0.2004857), wk = 0.0033333 k( 210) = ( -0.4019841 0.5155607 0.2227619), wk = 0.0033333 k( 211) = ( -0.4019841 0.5155607 0.2450381), wk = 0.0033333 k( 212) = ( -0.4019841 0.5155607 0.2673143), wk = 0.0033333 k( 213) = ( -0.4019841 0.5155607 0.2895905), wk = 0.0033333 k( 214) = ( -0.4019841 0.5155607 0.3118666), wk = 0.0033333 k( 215) = ( -0.4019841 0.5155607 0.3341428), wk = 0.0033333 k( 216) = ( -0.4019841 0.5155607 0.3564190), wk = 0.0033333 k( 217) = ( -0.4019841 0.5155607 0.3786952), wk = 0.0033333 k( 218) = ( -0.4019841 0.5155607 0.4009714), wk = 0.0033333 k( 219) = ( -0.4019841 0.5155607 0.4232476), wk = 0.0033333 k( 220) = ( -0.4019841 0.5155607 0.4455238), wk = 0.0033333 k( 221) = ( -0.4019841 0.5155607 0.4678000), wk = 0.0033333 k( 222) = ( -0.4019841 0.5155607 0.4900762), wk = 0.0033333 k( 223) = ( -0.4019841 0.5155607 0.5123524), wk = 0.0033333 k( 224) = ( -0.4019841 0.5155607 0.5346285), wk = 0.0033333 k( 225) = ( -0.4019841 0.5155607 0.5569047), wk = 0.0033333 k( 226) = ( -0.4019841 0.5155607 0.5791809), wk = 0.0033333 k( 227) = ( -0.4019841 0.5155607 0.6014571), wk = 0.0033333 k( 228) = ( -0.4019841 0.5155607 0.6237333), wk = 0.0033333 k( 229) = ( -0.4019841 0.5155607 0.6460095), wk = 0.0033333 k( 230) = ( -0.4019841 0.5155607 0.6682857), wk = 0.0033333 k( 231) = ( -0.4019841 0.5155607 0.6905619), wk = 0.0033333 k( 232) = ( -0.4019841 0.5155607 0.6905619), wk = 0.0033333 k( 233) = ( -0.4159864 0.4976022 0.6905619), wk = 0.0033333 k( 234) = ( -0.4299886 0.4796437 0.6905619), wk = 0.0033333 k( 235) = ( -0.4439909 0.4616853 0.6905619), wk = 0.0033333 k( 236) = ( -0.4579932 0.4437268 0.6905619), wk = 0.0033333 k( 237) = ( -0.4719955 0.4257683 0.6905619), wk = 0.0033333 k( 238) = ( -0.4859977 0.4078098 0.6905619), wk = 0.0033333 k( 239) = ( -0.5000000 0.3898514 0.6905619), wk = 0.0033333 k( 240) = ( -0.5000000 0.3898514 0.6905619), wk = 0.0033333 k( 241) = ( -0.5000000 0.3898514 0.6682857), wk = 0.0033333 k( 242) = ( -0.5000000 0.3898514 0.6460095), wk = 0.0033333 k( 243) = ( -0.5000000 0.3898514 0.6237333), wk = 0.0033333 k( 244) = ( -0.5000000 0.3898514 0.6014571), wk = 0.0033333 k( 245) = ( -0.5000000 0.3898514 0.5791809), wk = 0.0033333 k( 246) = ( -0.5000000 0.3898514 0.5569047), wk = 0.0033333 k( 247) = ( -0.5000000 0.3898514 0.5346285), wk = 0.0033333 k( 248) = ( -0.5000000 0.3898514 0.5123524), wk = 0.0033333 k( 249) = ( -0.5000000 0.3898514 0.4900762), wk = 0.0033333 k( 250) = ( -0.5000000 0.3898514 0.4678000), wk = 0.0033333 k( 251) = ( -0.5000000 0.3898514 0.4455238), wk = 0.0033333 k( 252) = ( -0.5000000 0.3898514 0.4232476), wk = 0.0033333 k( 253) = ( -0.5000000 0.3898514 0.4009714), wk = 0.0033333 k( 254) = ( -0.5000000 0.3898514 0.3786952), wk = 0.0033333 k( 255) = ( -0.5000000 0.3898514 0.3564190), wk = 0.0033333 k( 256) = ( -0.5000000 0.3898514 0.3341428), wk = 0.0033333 k( 257) = ( -0.5000000 0.3898514 0.3118666), wk = 0.0033333 k( 258) = ( -0.5000000 0.3898514 0.2895905), wk = 0.0033333 k( 259) = ( -0.5000000 0.3898514 0.2673143), wk = 0.0033333 k( 260) = ( -0.5000000 0.3898514 0.2450381), wk = 0.0033333 k( 261) = ( -0.5000000 0.3898514 0.2227619), wk = 0.0033333 k( 262) = ( -0.5000000 0.3898514 0.2004857), wk = 0.0033333 k( 263) = ( -0.5000000 0.3898514 0.1782095), wk = 0.0033333 k( 264) = ( -0.5000000 0.3898514 0.1559333), wk = 0.0033333 k( 265) = ( -0.5000000 0.3898514 0.1336571), wk = 0.0033333 k( 266) = ( -0.5000000 0.3898514 0.1113809), wk = 0.0033333 k( 267) = ( -0.5000000 0.3898514 0.0891048), wk = 0.0033333 k( 268) = ( -0.5000000 0.3898514 0.0668286), wk = 0.0033333 k( 269) = ( -0.5000000 0.3898514 0.0445524), wk = 0.0033333 k( 270) = ( -0.5000000 0.3898514 0.0222762), wk = 0.0033333 k( 271) = ( -0.5000000 0.3898514 -0.0000000), wk = 0.0033333 k( 272) = ( 0.0000000 0.0000000 0.6905619), wk = 0.0033333 k( 273) = ( -0.0178571 0.0139233 0.6905619), wk = 0.0033333 k( 274) = ( -0.0357143 0.0278465 0.6905619), wk = 0.0033333 k( 275) = ( -0.0535714 0.0417698 0.6905619), wk = 0.0033333 k( 276) = ( -0.0714286 0.0556931 0.6905619), wk = 0.0033333 k( 277) = ( -0.0892857 0.0696163 0.6905619), wk = 0.0033333 k( 278) = ( -0.1071429 0.0835396 0.6905619), wk = 0.0033333 k( 279) = ( -0.1250000 0.0974628 0.6905619), wk = 0.0033333 k( 280) = ( -0.1428571 0.1113861 0.6905619), wk = 0.0033333 k( 281) = ( -0.1607143 0.1253094 0.6905619), wk = 0.0033333 k( 282) = ( -0.1785714 0.1392326 0.6905619), wk = 0.0033333 k( 283) = ( -0.1964286 0.1531559 0.6905619), wk = 0.0033333 k( 284) = ( -0.2142857 0.1670792 0.6905619), wk = 0.0033333 k( 285) = ( -0.2321429 0.1810024 0.6905619), wk = 0.0033333 k( 286) = ( -0.2500000 0.1949257 0.6905619), wk = 0.0033333 k( 287) = ( -0.2678571 0.2088489 0.6905619), wk = 0.0033333 k( 288) = ( -0.2857143 0.2227722 0.6905619), wk = 0.0033333 k( 289) = ( -0.3035714 0.2366955 0.6905619), wk = 0.0033333 k( 290) = ( -0.3214286 0.2506187 0.6905619), wk = 0.0033333 k( 291) = ( -0.3392857 0.2645420 0.6905619), wk = 0.0033333 k( 292) = ( -0.3571429 0.2784653 0.6905619), wk = 0.0033333 k( 293) = ( -0.3750000 0.2923885 0.6905619), wk = 0.0033333 k( 294) = ( -0.3928571 0.3063118 0.6905619), wk = 0.0033333 k( 295) = ( -0.4107143 0.3202351 0.6905619), wk = 0.0033333 k( 296) = ( -0.4285714 0.3341583 0.6905619), wk = 0.0033333 k( 297) = ( -0.4464286 0.3480816 0.6905619), wk = 0.0033333 k( 298) = ( -0.4642857 0.3620048 0.6905619), wk = 0.0033333 k( 299) = ( -0.4821429 0.3759281 0.6905619), wk = 0.0033333 k( 300) = ( -0.5000000 0.3898514 0.6905619), wk = 0.0033333 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 2) = ( 0.0138615 0.0138615 0.0000000), wk = 0.0033333 k( 3) = ( 0.0277230 0.0277230 0.0000000), wk = 0.0033333 k( 4) = ( 0.0415846 0.0415846 0.0000000), wk = 0.0033333 k( 5) = ( 0.0554461 0.0554461 0.0000000), wk = 0.0033333 k( 6) = ( 0.0693076 0.0693076 -0.0000000), wk = 0.0033333 k( 7) = ( 0.0831691 0.0831691 0.0000000), wk = 0.0033333 k( 8) = ( 0.0970306 0.0970306 -0.0000000), wk = 0.0033333 k( 9) = ( 0.1108922 0.1108922 0.0000000), wk = 0.0033333 k( 10) = ( 0.1247537 0.1247537 0.0000000), wk = 0.0033333 k( 11) = ( 0.1386152 0.1386152 -0.0000000), wk = 0.0033333 k( 12) = ( 0.1524767 0.1524767 -0.0000000), wk = 0.0033333 k( 13) = ( 0.1663382 0.1663382 0.0000000), wk = 0.0033333 k( 14) = ( 0.1801998 0.1801998 0.0000000), wk = 0.0033333 k( 15) = ( 0.1940613 0.1940613 0.0000000), wk = 0.0033333 k( 16) = ( 0.2079228 0.2079228 -0.0000000), wk = 0.0033333 k( 17) = ( 0.2217843 0.2217843 0.0000000), wk = 0.0033333 k( 18) = ( 0.2356458 0.2356458 -0.0000000), wk = 0.0033333 k( 19) = ( 0.2495074 0.2495074 -0.0000000), wk = 0.0033333 k( 20) = ( 0.2633689 0.2633689 -0.0000000), wk = 0.0033333 k( 21) = ( 0.2772304 0.2772304 0.0000000), wk = 0.0033333 k( 22) = ( 0.2910919 0.2910919 0.0000000), wk = 0.0033333 k( 23) = ( 0.3049535 0.3049535 0.0000000), wk = 0.0033333 k( 24) = ( 0.3188150 0.3188150 -0.0000000), wk = 0.0033333 k( 25) = ( 0.3326765 0.3326765 -0.0000000), wk = 0.0033333 k( 26) = ( 0.3465380 0.3465380 -0.0000000), wk = 0.0033333 k( 27) = ( 0.3603995 0.3603995 -0.0000000), wk = 0.0033333 k( 28) = ( 0.3742610 0.3742610 -0.0000000), wk = 0.0033333 k( 29) = ( 0.3881226 0.3881226 0.0000000), wk = 0.0033333 k( 30) = ( 0.4019841 0.4019841 0.0000000), wk = 0.0033333 k( 31) = ( 0.4019841 0.4019841 0.0000000), wk = 0.0033333 k( 32) = ( 0.3796517 0.4074294 0.0000000), wk = 0.0033333 k( 33) = ( 0.3573192 0.4128747 -0.0000000), wk = 0.0033333 k( 34) = ( 0.3349867 0.4183201 -0.0000000), wk = 0.0033333 k( 35) = ( 0.3126543 0.4237654 -0.0000000), wk = 0.0033333 k( 36) = ( 0.2903218 0.4292107 -0.0000000), wk = 0.0033333 k( 37) = ( 0.2679894 0.4346561 -0.0000000), wk = 0.0033333 k( 38) = ( 0.2456570 0.4401014 -0.0000000), wk = 0.0033333 k( 39) = ( 0.2233245 0.4455467 -0.0000000), wk = 0.0033333 k( 40) = ( 0.2009921 0.4509920 -0.0000000), wk = 0.0033333 k( 41) = ( 0.1786596 0.4564374 -0.0000000), wk = 0.0033333 k( 42) = ( 0.1563271 0.4618827 0.0000000), wk = 0.0033333 k( 43) = ( 0.1339947 0.4673280 -0.0000000), wk = 0.0033333 k( 44) = ( 0.1116623 0.4727734 0.0000000), wk = 0.0033333 k( 45) = ( 0.0893298 0.4782187 0.0000000), wk = 0.0033333 k( 46) = ( 0.0669973 0.4836640 -0.0000000), wk = 0.0033333 k( 47) = ( 0.0446649 0.4891093 0.0000000), wk = 0.0033333 k( 48) = ( 0.0223325 0.4945547 -0.0000000), wk = 0.0033333 k( 49) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033333 k( 50) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0033333 k( 51) = ( 0.0000000 0.5000000 0.0161290), wk = 0.0033333 k( 52) = ( 0.0000000 0.5000000 0.0322581), wk = 0.0033333 k( 53) = ( 0.0000000 0.5000000 0.0483871), wk = 0.0033333 k( 54) = ( 0.0000000 0.5000000 0.0645161), wk = 0.0033333 k( 55) = ( 0.0000000 0.5000000 0.0806452), wk = 0.0033333 k( 56) = ( 0.0000000 0.5000000 0.0967742), wk = 0.0033333 k( 57) = ( 0.0000000 0.5000000 0.1129032), wk = 0.0033333 k( 58) = ( 0.0000000 0.5000000 0.1290323), wk = 0.0033333 k( 59) = ( 0.0000000 0.5000000 0.1451613), wk = 0.0033333 k( 60) = ( 0.0000000 0.5000000 0.1612903), wk = 0.0033333 k( 61) = ( 0.0000000 0.5000000 0.1774194), wk = 0.0033333 k( 62) = ( 0.0000000 0.5000000 0.1935484), wk = 0.0033333 k( 63) = ( 0.0000000 0.5000000 0.2096774), wk = 0.0033333 k( 64) = ( 0.0000000 0.5000000 0.2258064), wk = 0.0033333 k( 65) = ( 0.0000000 0.5000000 0.2419355), wk = 0.0033333 k( 66) = ( 0.0000000 0.5000000 0.2580645), wk = 0.0033333 k( 67) = ( 0.0000000 0.5000000 0.2741936), wk = 0.0033333 k( 68) = ( 0.0000000 0.5000000 0.2903226), wk = 0.0033333 k( 69) = ( 0.0000000 0.5000000 0.3064516), wk = 0.0033333 k( 70) = ( 0.0000000 0.5000000 0.3225807), wk = 0.0033333 k( 71) = ( 0.0000000 0.5000000 0.3387097), wk = 0.0033333 k( 72) = ( 0.0000000 0.5000000 0.3548387), wk = 0.0033333 k( 73) = ( 0.0000000 0.5000000 0.3709677), wk = 0.0033333 k( 74) = ( 0.0000000 0.5000000 0.3870968), wk = 0.0033333 k( 75) = ( 0.0000000 0.5000000 0.4032258), wk = 0.0033333 k( 76) = ( 0.0000000 0.5000000 0.4193548), wk = 0.0033333 k( 77) = ( 0.0000000 0.5000000 0.4354839), wk = 0.0033333 k( 78) = ( 0.0000000 0.5000000 0.4516129), wk = 0.0033333 k( 79) = ( 0.0000000 0.5000000 0.4677419), wk = 0.0033333 k( 80) = ( 0.0000000 0.5000000 0.4838710), wk = 0.0033333 k( 81) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033333 k( 82) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033333 k( 83) = ( 0.0223325 0.4945547 0.5000000), wk = 0.0033333 k( 84) = ( 0.0446649 0.4891093 0.5000000), wk = 0.0033333 k( 85) = ( 0.0669973 0.4836640 0.5000000), wk = 0.0033333 k( 86) = ( 0.0893298 0.4782187 0.5000000), wk = 0.0033333 k( 87) = ( 0.1116623 0.4727734 0.5000000), wk = 0.0033333 k( 88) = ( 0.1339947 0.4673280 0.5000000), wk = 0.0033333 k( 89) = ( 0.1563271 0.4618827 0.5000000), wk = 0.0033333 k( 90) = ( 0.1786596 0.4564374 0.5000000), wk = 0.0033333 k( 91) = ( 0.2009921 0.4509920 0.5000000), wk = 0.0033333 k( 92) = ( 0.2233245 0.4455467 0.5000000), wk = 0.0033333 k( 93) = ( 0.2456570 0.4401014 0.5000000), wk = 0.0033333 k( 94) = ( 0.2679894 0.4346561 0.5000000), wk = 0.0033333 k( 95) = ( 0.2903218 0.4292107 0.5000000), wk = 0.0033333 k( 96) = ( 0.3126543 0.4237654 0.5000000), wk = 0.0033333 k( 97) = ( 0.3349867 0.4183201 0.5000000), wk = 0.0033333 k( 98) = ( 0.3573192 0.4128747 0.5000000), wk = 0.0033333 k( 99) = ( 0.3796517 0.4074294 0.5000000), wk = 0.0033333 k( 100) = ( 0.4019841 0.4019841 0.5000000), wk = 0.0033333 k( 101) = ( 0.4019841 0.4019841 0.5000000), wk = 0.0033333 k( 102) = ( 0.3881226 0.3881226 0.5000000), wk = 0.0033333 k( 103) = ( 0.3742610 0.3742610 0.5000000), wk = 0.0033333 k( 104) = ( 0.3603995 0.3603995 0.5000000), wk = 0.0033333 k( 105) = ( 0.3465380 0.3465380 0.5000000), wk = 0.0033333 k( 106) = ( 0.3326765 0.3326765 0.5000000), wk = 0.0033333 k( 107) = ( 0.3188150 0.3188150 0.5000000), wk = 0.0033333 k( 108) = ( 0.3049535 0.3049535 0.5000000), wk = 0.0033333 k( 109) = ( 0.2910919 0.2910919 0.5000000), wk = 0.0033333 k( 110) = ( 0.2772304 0.2772304 0.5000000), wk = 0.0033333 k( 111) = ( 0.2633689 0.2633689 0.5000000), wk = 0.0033333 k( 112) = ( 0.2495074 0.2495074 0.5000000), wk = 0.0033333 k( 113) = ( 0.2356458 0.2356458 0.5000000), wk = 0.0033333 k( 114) = ( 0.2217843 0.2217843 0.5000000), wk = 0.0033333 k( 115) = ( 0.2079228 0.2079228 0.5000000), wk = 0.0033333 k( 116) = ( 0.1940613 0.1940613 0.5000000), wk = 0.0033333 k( 117) = ( 0.1801998 0.1801998 0.5000000), wk = 0.0033333 k( 118) = ( 0.1663382 0.1663382 0.5000000), wk = 0.0033333 k( 119) = ( 0.1524767 0.1524767 0.5000000), wk = 0.0033333 k( 120) = ( 0.1386152 0.1386152 0.5000000), wk = 0.0033333 k( 121) = ( 0.1247537 0.1247537 0.5000000), wk = 0.0033333 k( 122) = ( 0.1108922 0.1108922 0.5000000), wk = 0.0033333 k( 123) = ( 0.0970306 0.0970306 0.5000000), wk = 0.0033333 k( 124) = ( 0.0831691 0.0831691 0.5000000), wk = 0.0033333 k( 125) = ( 0.0693076 0.0693076 0.5000000), wk = 0.0033333 k( 126) = ( 0.0554461 0.0554461 0.5000000), wk = 0.0033333 k( 127) = ( 0.0415846 0.0415846 0.5000000), wk = 0.0033333 k( 128) = ( 0.0277230 0.0277230 0.5000000), wk = 0.0033333 k( 129) = ( 0.0138615 0.0138615 0.5000000), wk = 0.0033333 k( 130) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033333 k( 131) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033333 k( 132) = ( 0.0000000 0.0000000 0.4838710), wk = 0.0033333 k( 133) = ( 0.0000000 0.0000000 0.4677419), wk = 0.0033333 k( 134) = ( 0.0000000 0.0000000 0.4516129), wk = 0.0033333 k( 135) = ( 0.0000000 0.0000000 0.4354839), wk = 0.0033333 k( 136) = ( 0.0000000 0.0000000 0.4193548), wk = 0.0033333 k( 137) = ( 0.0000000 0.0000000 0.4032258), wk = 0.0033333 k( 138) = ( 0.0000000 0.0000000 0.3870968), wk = 0.0033333 k( 139) = ( 0.0000000 0.0000000 0.3709677), wk = 0.0033333 k( 140) = ( 0.0000000 0.0000000 0.3548387), wk = 0.0033333 k( 141) = ( 0.0000000 0.0000000 0.3387097), wk = 0.0033333 k( 142) = ( 0.0000000 0.0000000 0.3225807), wk = 0.0033333 k( 143) = ( 0.0000000 0.0000000 0.3064516), wk = 0.0033333 k( 144) = ( 0.0000000 0.0000000 0.2903226), wk = 0.0033333 k( 145) = ( 0.0000000 0.0000000 0.2741936), wk = 0.0033333 k( 146) = ( 0.0000000 0.0000000 0.2580645), wk = 0.0033333 k( 147) = ( 0.0000000 0.0000000 0.2419355), wk = 0.0033333 k( 148) = ( 0.0000000 0.0000000 0.2258064), wk = 0.0033333 k( 149) = ( 0.0000000 0.0000000 0.2096774), wk = 0.0033333 k( 150) = ( 0.0000000 0.0000000 0.1935484), wk = 0.0033333 k( 151) = ( 0.0000000 0.0000000 0.1774194), wk = 0.0033333 k( 152) = ( 0.0000000 0.0000000 0.1612903), wk = 0.0033333 k( 153) = ( 0.0000000 0.0000000 0.1451613), wk = 0.0033333 k( 154) = ( 0.0000000 0.0000000 0.1290323), wk = 0.0033333 k( 155) = ( 0.0000000 0.0000000 0.1129032), wk = 0.0033333 k( 156) = ( 0.0000000 0.0000000 0.0967742), wk = 0.0033333 k( 157) = ( 0.0000000 0.0000000 0.0806452), wk = 0.0033333 k( 158) = ( 0.0000000 0.0000000 0.0645161), wk = 0.0033333 k( 159) = ( 0.0000000 0.0000000 0.0483871), wk = 0.0033333 k( 160) = ( 0.0000000 0.0000000 0.0322581), wk = 0.0033333 k( 161) = ( 0.0000000 0.0000000 0.0161290), wk = 0.0033333 k( 162) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 163) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033333 k( 164) = ( -0.0178571 0.0178571 -0.0000000), wk = 0.0033333 k( 165) = ( -0.0357143 0.0357143 -0.0000000), wk = 0.0033333 k( 166) = ( -0.0535714 0.0535714 -0.0000000), wk = 0.0033333 k( 167) = ( -0.0714286 0.0714286 0.0000000), wk = 0.0033333 k( 168) = ( -0.0892857 0.0892857 -0.0000000), wk = 0.0033333 k( 169) = ( -0.1071429 0.1071429 -0.0000000), wk = 0.0033333 k( 170) = ( -0.1250000 0.1250000 -0.0000000), wk = 0.0033333 k( 171) = ( -0.1428571 0.1428571 0.0000000), wk = 0.0033333 k( 172) = ( -0.1607143 0.1607143 -0.0000000), wk = 0.0033333 k( 173) = ( -0.1785714 0.1785714 -0.0000000), wk = 0.0033333 k( 174) = ( -0.1964286 0.1964286 -0.0000000), wk = 0.0033333 k( 175) = ( -0.2142857 0.2142857 -0.0000000), wk = 0.0033333 k( 176) = ( -0.2321429 0.2321429 -0.0000000), wk = 0.0033333 k( 177) = ( -0.2500000 0.2500000 -0.0000000), wk = 0.0033333 k( 178) = ( -0.2678571 0.2678571 -0.0000000), wk = 0.0033333 k( 179) = ( -0.2857143 0.2857143 -0.0000000), wk = 0.0033333 k( 180) = ( -0.3035714 0.3035714 -0.0000000), wk = 0.0033333 k( 181) = ( -0.3214286 0.3214286 -0.0000000), wk = 0.0033333 k( 182) = ( -0.3392857 0.3392857 -0.0000000), wk = 0.0033333 k( 183) = ( -0.3571429 0.3571429 -0.0000000), wk = 0.0033333 k( 184) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0033333 k( 185) = ( -0.3928571 0.3928571 -0.0000000), wk = 0.0033333 k( 186) = ( -0.4107143 0.4107143 -0.0000000), wk = 0.0033333 k( 187) = ( -0.4285714 0.4285714 -0.0000000), wk = 0.0033333 k( 188) = ( -0.4464286 0.4464286 -0.0000000), wk = 0.0033333 k( 189) = ( -0.4642857 0.4642857 -0.0000000), wk = 0.0033333 k( 190) = ( -0.4821429 0.4821429 -0.0000000), wk = 0.0033333 k( 191) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0033333 k( 192) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0033333 k( 193) = ( -0.4859977 0.5140023 -0.0000000), wk = 0.0033333 k( 194) = ( -0.4719955 0.5280045 -0.0000000), wk = 0.0033333 k( 195) = ( -0.4579932 0.5420068 0.0000000), wk = 0.0033333 k( 196) = ( -0.4439909 0.5560091 -0.0000000), wk = 0.0033333 k( 197) = ( -0.4299886 0.5700114 -0.0000000), wk = 0.0033333 k( 198) = ( -0.4159864 0.5840136 -0.0000000), wk = 0.0033333 k( 199) = ( -0.4019841 0.5980159 -0.0000000), wk = 0.0033333 k( 200) = ( -0.4019841 0.5980159 -0.0000000), wk = 0.0033333 k( 201) = ( -0.4019841 0.5980159 0.0161290), wk = 0.0033333 k( 202) = ( -0.4019841 0.5980159 0.0322581), wk = 0.0033333 k( 203) = ( -0.4019841 0.5980159 0.0483871), wk = 0.0033333 k( 204) = ( -0.4019841 0.5980159 0.0645161), wk = 0.0033333 k( 205) = ( -0.4019841 0.5980159 0.0806452), wk = 0.0033333 k( 206) = ( -0.4019841 0.5980159 0.0967742), wk = 0.0033333 k( 207) = ( -0.4019841 0.5980159 0.1129032), wk = 0.0033333 k( 208) = ( -0.4019841 0.5980159 0.1290323), wk = 0.0033333 k( 209) = ( -0.4019841 0.5980159 0.1451613), wk = 0.0033333 k( 210) = ( -0.4019841 0.5980159 0.1612903), wk = 0.0033333 k( 211) = ( -0.4019841 0.5980159 0.1774194), wk = 0.0033333 k( 212) = ( -0.4019841 0.5980159 0.1935484), wk = 0.0033333 k( 213) = ( -0.4019841 0.5980159 0.2096774), wk = 0.0033333 k( 214) = ( -0.4019841 0.5980159 0.2258065), wk = 0.0033333 k( 215) = ( -0.4019841 0.5980159 0.2419355), wk = 0.0033333 k( 216) = ( -0.4019841 0.5980159 0.2580645), wk = 0.0033333 k( 217) = ( -0.4019841 0.5980159 0.2741936), wk = 0.0033333 k( 218) = ( -0.4019841 0.5980159 0.2903226), wk = 0.0033333 k( 219) = ( -0.4019841 0.5980159 0.3064516), wk = 0.0033333 k( 220) = ( -0.4019841 0.5980159 0.3225807), wk = 0.0033333 k( 221) = ( -0.4019841 0.5980159 0.3387097), wk = 0.0033333 k( 222) = ( -0.4019841 0.5980159 0.3548387), wk = 0.0033333 k( 223) = ( -0.4019841 0.5980159 0.3709677), wk = 0.0033333 k( 224) = ( -0.4019841 0.5980159 0.3870968), wk = 0.0033333 k( 225) = ( -0.4019841 0.5980159 0.4032258), wk = 0.0033333 k( 226) = ( -0.4019841 0.5980159 0.4193548), wk = 0.0033333 k( 227) = ( -0.4019841 0.5980159 0.4354839), wk = 0.0033333 k( 228) = ( -0.4019841 0.5980159 0.4516129), wk = 0.0033333 k( 229) = ( -0.4019841 0.5980159 0.4677419), wk = 0.0033333 k( 230) = ( -0.4019841 0.5980159 0.4838710), wk = 0.0033333 k( 231) = ( -0.4019841 0.5980159 0.5000000), wk = 0.0033333 k( 232) = ( -0.4019841 0.5980159 0.5000000), wk = 0.0033333 k( 233) = ( -0.4159864 0.5840136 0.5000000), wk = 0.0033333 k( 234) = ( -0.4299886 0.5700114 0.5000000), wk = 0.0033333 k( 235) = ( -0.4439909 0.5560091 0.5000000), wk = 0.0033333 k( 236) = ( -0.4579932 0.5420068 0.5000000), wk = 0.0033333 k( 237) = ( -0.4719955 0.5280045 0.5000000), wk = 0.0033333 k( 238) = ( -0.4859977 0.5140023 0.5000000), wk = 0.0033333 k( 239) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0033333 k( 240) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0033333 k( 241) = ( -0.5000000 0.5000000 0.4838710), wk = 0.0033333 k( 242) = ( -0.5000000 0.5000000 0.4677419), wk = 0.0033333 k( 243) = ( -0.5000000 0.5000000 0.4516129), wk = 0.0033333 k( 244) = ( -0.5000000 0.5000000 0.4354839), wk = 0.0033333 k( 245) = ( -0.5000000 0.5000000 0.4193548), wk = 0.0033333 k( 246) = ( -0.5000000 0.5000000 0.4032258), wk = 0.0033333 k( 247) = ( -0.5000000 0.5000000 0.3870968), wk = 0.0033333 k( 248) = ( -0.5000000 0.5000000 0.3709677), wk = 0.0033333 k( 249) = ( -0.5000000 0.5000000 0.3548387), wk = 0.0033333 k( 250) = ( -0.5000000 0.5000000 0.3387097), wk = 0.0033333 k( 251) = ( -0.5000000 0.5000000 0.3225807), wk = 0.0033333 k( 252) = ( -0.5000000 0.5000000 0.3064516), wk = 0.0033333 k( 253) = ( -0.5000000 0.5000000 0.2903226), wk = 0.0033333 k( 254) = ( -0.5000000 0.5000000 0.2741936), wk = 0.0033333 k( 255) = ( -0.5000000 0.5000000 0.2580645), wk = 0.0033333 k( 256) = ( -0.5000000 0.5000000 0.2419355), wk = 0.0033333 k( 257) = ( -0.5000000 0.5000000 0.2258064), wk = 0.0033333 k( 258) = ( -0.5000000 0.5000000 0.2096774), wk = 0.0033333 k( 259) = ( -0.5000000 0.5000000 0.1935484), wk = 0.0033333 k( 260) = ( -0.5000000 0.5000000 0.1774194), wk = 0.0033333 k( 261) = ( -0.5000000 0.5000000 0.1612903), wk = 0.0033333 k( 262) = ( -0.5000000 0.5000000 0.1451613), wk = 0.0033333 k( 263) = ( -0.5000000 0.5000000 0.1290323), wk = 0.0033333 k( 264) = ( -0.5000000 0.5000000 0.1129032), wk = 0.0033333 k( 265) = ( -0.5000000 0.5000000 0.0967742), wk = 0.0033333 k( 266) = ( -0.5000000 0.5000000 0.0806452), wk = 0.0033333 k( 267) = ( -0.5000000 0.5000000 0.0645161), wk = 0.0033333 k( 268) = ( -0.5000000 0.5000000 0.0483871), wk = 0.0033333 k( 269) = ( -0.5000000 0.5000000 0.0322581), wk = 0.0033333 k( 270) = ( -0.5000000 0.5000000 0.0161290), wk = 0.0033333 k( 271) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0033333 k( 272) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033333 k( 273) = ( -0.0178571 0.0178571 0.5000000), wk = 0.0033333 k( 274) = ( -0.0357143 0.0357143 0.5000000), wk = 0.0033333 k( 275) = ( -0.0535714 0.0535714 0.5000000), wk = 0.0033333 k( 276) = ( -0.0714286 0.0714286 0.5000000), wk = 0.0033333 k( 277) = ( -0.0892857 0.0892857 0.5000000), wk = 0.0033333 k( 278) = ( -0.1071429 0.1071429 0.5000000), wk = 0.0033333 k( 279) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0033333 k( 280) = ( -0.1428571 0.1428571 0.5000000), wk = 0.0033333 k( 281) = ( -0.1607143 0.1607143 0.5000000), wk = 0.0033333 k( 282) = ( -0.1785714 0.1785714 0.5000000), wk = 0.0033333 k( 283) = ( -0.1964286 0.1964286 0.5000000), wk = 0.0033333 k( 284) = ( -0.2142857 0.2142857 0.5000000), wk = 0.0033333 k( 285) = ( -0.2321429 0.2321429 0.5000000), wk = 0.0033333 k( 286) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0033333 k( 287) = ( -0.2678571 0.2678571 0.5000000), wk = 0.0033333 k( 288) = ( -0.2857143 0.2857143 0.5000000), wk = 0.0033333 k( 289) = ( -0.3035714 0.3035714 0.5000000), wk = 0.0033333 k( 290) = ( -0.3214286 0.3214286 0.5000000), wk = 0.0033333 k( 291) = ( -0.3392857 0.3392857 0.5000000), wk = 0.0033333 k( 292) = ( -0.3571429 0.3571429 0.5000000), wk = 0.0033333 k( 293) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0033333 k( 294) = ( -0.3928571 0.3928571 0.5000000), wk = 0.0033333 k( 295) = ( -0.4107143 0.4107143 0.5000000), wk = 0.0033333 k( 296) = ( -0.4285714 0.4285714 0.5000000), wk = 0.0033333 k( 297) = ( -0.4464286 0.4464286 0.5000000), wk = 0.0033333 k( 298) = ( -0.4642857 0.4642857 0.5000000), wk = 0.0033333 k( 299) = ( -0.4821429 0.4821429 0.5000000), wk = 0.0033333 k( 300) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0033333 Dense grid: 177261 G-vectors FFT dimensions: ( 80, 80, 60) Smooth grid: 74793 G-vectors FFT dimensions: ( 60, 60, 45) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.20 Mb ( 278, 48) NL pseudopotentials 0.34 Mb ( 139, 160) Each V/rho on FFT grid 0.10 Mb ( 6400) Each G-vector array 0.02 Mb ( 2463) G-vector shells 0.01 Mb ( 1264) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.81 Mb ( 278, 192) Each subspace H/S matrix 0.02 Mb ( 32, 32) Each matrix 0.23 Mb ( 160, 2, 48) Check: negative/imaginary core charge= -0.000006 0.000000 The potential is recalculated from file : ./H2C3S.save/charge-density.dat Starting wfc are 72 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.1 secs Computing kpt #: 2 total cpu time spent up to now is 4.3 secs Computing kpt #: 3 total cpu time spent up to now is 5.6 secs Computing kpt #: 4 total cpu time spent up to now is 6.7 secs Computing kpt #: 5 total cpu time spent up to now is 7.8 secs Computing kpt #: 6 total cpu time spent up to now is 9.0 secs Computing kpt #: 7 total cpu time spent up to now is 10.1 secs Computing kpt #: 8 total cpu time spent up to now is 11.5 secs Computing kpt #: 9 total cpu time spent up to now is 12.9 secs Computing kpt #: 10 total cpu time spent up to now is 13.8 secs Computing kpt #: 11 total cpu time spent up to now is 14.6 secs Computing kpt #: 12 total cpu time spent up to now is 15.4 secs Computing kpt #: 13 total cpu time spent up to now is 16.3 secs Computing kpt #: 14 total cpu time spent up to now is 17.1 secs Computing kpt #: 15 total cpu time spent up to now is 17.8 secs Computing kpt #: 16 total cpu time spent up to now is 18.6 secs Computing kpt #: 17 total cpu time spent up to now is 19.5 secs Computing kpt #: 18 total cpu time spent up to now is 20.4 secs Computing kpt #: 19 total cpu time spent up to now is 21.4 secs Computing kpt #: 20 total cpu time spent up to now is 23.3 secs Computing kpt #: 21 total cpu time spent up to now is 24.6 secs Computing kpt #: 22 total cpu time spent up to now is 25.7 secs Computing kpt #: 23 total cpu time spent up to now is 26.6 secs Computing kpt #: 24 total cpu time spent up to now is 27.5 secs Computing kpt #: 25 total cpu time spent up to now is 28.5 secs Computing kpt #: 26 total cpu time spent up to now is 29.7 secs Computing kpt #: 27 total cpu time spent up to now is 31.2 secs Computing kpt #: 28 total cpu time spent up to now is 33.0 secs Computing kpt #: 29 total cpu time spent up to now is 34.4 secs Computing kpt #: 30 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 37.0 secs Computing kpt #: 31 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 39.8 secs Computing kpt #: 32 total cpu time spent up to now is 41.3 secs Computing kpt #: 33 total cpu time spent up to now is 42.3 secs Computing kpt #: 34 total cpu time spent up to now is 43.7 secs Computing kpt #: 35 total cpu time spent up to now is 45.0 secs Computing kpt #: 36 total cpu time spent up to now is 46.3 secs Computing kpt #: 37 total cpu time spent up to now is 47.6 secs Computing kpt #: 38 total cpu time spent up to now is 49.0 secs Computing kpt #: 39 total cpu time spent up to now is 50.1 secs Computing kpt #: 40 total cpu time spent up to now is 51.3 secs Computing kpt #: 41 total cpu time spent up to now is 52.4 secs Computing kpt #: 42 total cpu time spent up to now is 53.5 secs Computing kpt #: 43 total cpu time spent up to now is 54.6 secs Computing kpt #: 44 total cpu time spent up to now is 56.0 secs Computing kpt #: 45 total cpu time spent up to now is 57.6 secs Computing kpt #: 46 total cpu time spent up to now is 59.8 secs Computing kpt #: 47 total cpu time spent up to now is 61.4 secs Computing kpt #: 48 total cpu time spent up to now is 62.9 secs Computing kpt #: 49 total cpu time spent up to now is 64.4 secs Computing kpt #: 50 total cpu time spent up to now is 65.9 secs Computing kpt #: 51 total cpu time spent up to now is 67.5 secs Computing kpt #: 52 total cpu time spent up to now is 69.3 secs Computing kpt #: 53 total cpu time spent up to now is 71.5 secs Computing kpt #: 54 total cpu time spent up to now is 72.9 secs Computing kpt #: 55 total cpu time spent up to now is 74.2 secs Computing kpt #: 56 total cpu time spent up to now is 75.1 secs Computing kpt #: 57 total cpu time spent up to now is 76.1 secs Computing kpt #: 58 total cpu time spent up to now is 77.1 secs Computing kpt #: 59 total cpu time spent up to now is 78.0 secs Computing kpt #: 60 total cpu time spent up to now is 79.0 secs Computing kpt #: 61 total cpu time spent up to now is 80.1 secs Computing kpt #: 62 total cpu time spent up to now is 81.3 secs Computing kpt #: 63 total cpu time spent up to now is 82.3 secs Computing kpt #: 64 total cpu time spent up to now is 83.1 secs Computing kpt #: 65 total cpu time spent up to now is 83.9 secs Computing kpt #: 66 total cpu time spent up to now is 84.7 secs Computing kpt #: 67 total cpu time spent up to now is 85.6 secs Computing kpt #: 68 total cpu time spent up to now is 86.5 secs Computing kpt #: 69 total cpu time spent up to now is 87.4 secs Computing kpt #: 70 total cpu time spent up to now is 88.2 secs Computing kpt #: 71 total cpu time spent up to now is 89.0 secs Computing kpt #: 72 total cpu time spent up to now is 89.8 secs Computing kpt #: 73 total cpu time spent up to now is 90.6 secs Computing kpt #: 74 total cpu time spent up to now is 91.4 secs Computing kpt #: 75 total cpu time spent up to now is 92.6 secs Computing kpt #: 76 total cpu time spent up to now is 93.8 secs Computing kpt #: 77 total cpu time spent up to now is 95.3 secs Computing kpt #: 78 total cpu time spent up to now is 96.6 secs Computing kpt #: 79 total cpu time spent up to now is 97.8 secs Computing kpt #: 80 total cpu time spent up to now is 98.8 secs Computing kpt #: 81 total cpu time spent up to now is 99.8 secs Computing kpt #: 82 total cpu time spent up to now is 100.8 secs Computing kpt #: 83 total cpu time spent up to now is 101.8 secs Computing kpt #: 84 total cpu time spent up to now is 103.1 secs Computing kpt #: 85 total cpu time spent up to now is 104.4 secs Computing kpt #: 86 total cpu time spent up to now is 105.8 secs Computing kpt #: 87 total cpu time spent up to now is 107.2 secs Computing kpt #: 88 total cpu time spent up to now is 108.6 secs Computing kpt #: 89 total cpu time spent up to now is 109.9 secs Computing kpt #: 90 total cpu time spent up to now is 111.0 secs Computing kpt #: 91 total cpu time spent up to now is 111.9 secs Computing kpt #: 92 total cpu time spent up to now is 113.0 secs Computing kpt #: 93 total cpu time spent up to now is 113.9 secs Computing kpt #: 94 total cpu time spent up to now is 114.9 secs Computing kpt #: 95 total cpu time spent up to now is 115.7 secs Computing kpt #: 96 total cpu time spent up to now is 116.8 secs Computing kpt #: 97 total cpu time spent up to now is 117.7 secs Computing kpt #: 98 total cpu time spent up to now is 118.6 secs Computing kpt #: 99 total cpu time spent up to now is 119.4 secs Computing kpt #: 100 total cpu time spent up to now is 120.2 secs Computing kpt #: 101 total cpu time spent up to now is 121.1 secs Computing kpt #: 102 total cpu time spent up to now is 121.9 secs Computing kpt #: 103 total cpu time spent up to now is 122.7 secs Computing kpt #: 104 total cpu time spent up to now is 123.5 secs Computing kpt #: 105 total cpu time spent up to now is 124.3 secs Computing kpt #: 106 total cpu time spent up to now is 125.3 secs Computing kpt #: 107 total cpu time spent up to now is 126.1 secs Computing kpt #: 108 total cpu time spent up to now is 126.9 secs Computing kpt #: 109 total cpu time spent up to now is 127.7 secs Computing kpt #: 110 total cpu time spent up to now is 128.6 secs Computing kpt #: 111 total cpu time spent up to now is 129.4 secs Computing kpt #: 112 total cpu time spent up to now is 130.2 secs Computing kpt #: 113 total cpu time spent up to now is 131.1 secs Computing kpt #: 114 total cpu time spent up to now is 132.1 secs Computing kpt #: 115 total cpu time spent up to now is 133.1 secs Computing kpt #: 116 total cpu time spent up to now is 134.1 secs Computing kpt #: 117 total cpu time spent up to now is 135.2 secs Computing kpt #: 118 total cpu time spent up to now is 136.1 secs Computing kpt #: 119 total cpu time spent up to now is 137.1 secs Computing kpt #: 120 total cpu time spent up to now is 138.1 secs Computing kpt #: 121 total cpu time spent up to now is 139.2 secs Computing kpt #: 122 total cpu time spent up to now is 140.3 secs Computing kpt #: 123 total cpu time spent up to now is 141.6 secs Computing kpt #: 124 total cpu time spent up to now is 143.0 secs Computing kpt #: 125 total cpu time spent up to now is 144.3 secs Computing kpt #: 126 total cpu time spent up to now is 145.8 secs Computing kpt #: 127 total cpu time spent up to now is 147.5 secs Computing kpt #: 128 total cpu time spent up to now is 149.5 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 152.5 secs Computing kpt #: 130 total cpu time spent up to now is 154.5 secs Computing kpt #: 131 total cpu time spent up to now is 156.8 secs Computing kpt #: 132 total cpu time spent up to now is 158.5 secs Computing kpt #: 133 total cpu time spent up to now is 159.7 secs Computing kpt #: 134 total cpu time spent up to now is 160.9 secs Computing kpt #: 135 total cpu time spent up to now is 162.4 secs Computing kpt #: 136 total cpu time spent up to now is 164.1 secs Computing kpt #: 137 total cpu time spent up to now is 166.6 secs Computing kpt #: 138 total cpu time spent up to now is 168.2 secs Computing kpt #: 139 total cpu time spent up to now is 169.9 secs Computing kpt #: 140 total cpu time spent up to now is 171.6 secs Computing kpt #: 141 total cpu time spent up to now is 173.2 secs Computing kpt #: 142 total cpu time spent up to now is 174.9 secs Computing kpt #: 143 total cpu time spent up to now is 176.4 secs Computing kpt #: 144 total cpu time spent up to now is 177.9 secs Computing kpt #: 145 total cpu time spent up to now is 179.7 secs Computing kpt #: 146 total cpu time spent up to now is 181.1 secs Computing kpt #: 147 total cpu time spent up to now is 182.5 secs Computing kpt #: 148 total cpu time spent up to now is 184.0 secs Computing kpt #: 149 total cpu time spent up to now is 185.4 secs Computing kpt #: 150 total cpu time spent up to now is 186.9 secs Computing kpt #: 151 total cpu time spent up to now is 189.2 secs Computing kpt #: 152 total cpu time spent up to now is 190.6 secs Computing kpt #: 153 total cpu time spent up to now is 192.1 secs Computing kpt #: 154 total cpu time spent up to now is 193.5 secs Computing kpt #: 155 total cpu time spent up to now is 194.9 secs Computing kpt #: 156 total cpu time spent up to now is 196.3 secs Computing kpt #: 157 total cpu time spent up to now is 197.6 secs Computing kpt #: 158 total cpu time spent up to now is 198.8 secs Computing kpt #: 159 total cpu time spent up to now is 199.8 secs Computing kpt #: 160 total cpu time spent up to now is 201.1 secs Computing kpt #: 161 total cpu time spent up to now is 202.3 secs Computing kpt #: 162 total cpu time spent up to now is 203.4 secs Computing kpt #: 163 total cpu time spent up to now is 204.5 secs Computing kpt #: 164 total cpu time spent up to now is 205.6 secs Computing kpt #: 165 total cpu time spent up to now is 206.6 secs Computing kpt #: 166 total cpu time spent up to now is 208.3 secs Computing kpt #: 167 total cpu time spent up to now is 210.9 secs Computing kpt #: 168 total cpu time spent up to now is 212.4 secs Computing kpt #: 169 total cpu time spent up to now is 213.9 secs Computing kpt #: 170 total cpu time spent up to now is 215.0 secs Computing kpt #: 171 total cpu time spent up to now is 216.0 secs Computing kpt #: 172 total cpu time spent up to now is 217.1 secs Computing kpt #: 173 total cpu time spent up to now is 217.9 secs Computing kpt #: 174 total cpu time spent up to now is 219.0 secs Computing kpt #: 175 total cpu time spent up to now is 220.2 secs Computing kpt #: 176 total cpu time spent up to now is 221.6 secs Computing kpt #: 177 total cpu time spent up to now is 223.4 secs Computing kpt #: 178 total cpu time spent up to now is 224.4 secs Computing kpt #: 179 total cpu time spent up to now is 225.9 secs Computing kpt #: 180 total cpu time spent up to now is 227.5 secs Computing kpt #: 181 total cpu time spent up to now is 229.3 secs Computing kpt #: 182 total cpu time spent up to now is 230.7 secs Computing kpt #: 183 total cpu time spent up to now is 231.7 secs Computing kpt #: 184 total cpu time spent up to now is 232.6 secs Computing kpt #: 185 total cpu time spent up to now is 233.5 secs Computing kpt #: 186 total cpu time spent up to now is 234.5 secs Computing kpt #: 187 total cpu time spent up to now is 235.4 secs Computing kpt #: 188 total cpu time spent up to now is 236.2 secs Computing kpt #: 189 total cpu time spent up to now is 237.2 secs Computing kpt #: 190 total cpu time spent up to now is 238.0 secs Computing kpt #: 191 total cpu time spent up to now is 238.8 secs Computing kpt #: 192 total cpu time spent up to now is 239.7 secs Computing kpt #: 193 total cpu time spent up to now is 240.5 secs Computing kpt #: 194 total cpu time spent up to now is 241.5 secs Computing kpt #: 195 total cpu time spent up to now is 242.4 secs Computing kpt #: 196 total cpu time spent up to now is 243.5 secs Computing kpt #: 197 total cpu time spent up to now is 244.7 secs Computing kpt #: 198 total cpu time spent up to now is 246.2 secs Computing kpt #: 199 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 248.8 secs Computing kpt #: 200 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 251.7 secs Computing kpt #: 201 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 254.7 secs Computing kpt #: 202 total cpu time spent up to now is 256.2 secs Computing kpt #: 203 total cpu time spent up to now is 257.6 secs Computing kpt #: 204 total cpu time spent up to now is 258.8 secs Computing kpt #: 205 total cpu time spent up to now is 260.2 secs Computing kpt #: 206 total cpu time spent up to now is 261.5 secs Computing kpt #: 207 total cpu time spent up to now is 262.6 secs Computing kpt #: 208 total cpu time spent up to now is 263.9 secs Computing kpt #: 209 total cpu time spent up to now is 265.1 secs Computing kpt #: 210 total cpu time spent up to now is 266.3 secs Computing kpt #: 211 total cpu time spent up to now is 267.5 secs Computing kpt #: 212 total cpu time spent up to now is 268.8 secs Computing kpt #: 213 total cpu time spent up to now is 270.1 secs Computing kpt #: 214 total cpu time spent up to now is 271.3 secs Computing kpt #: 215 total cpu time spent up to now is 272.4 secs Computing kpt #: 216 total cpu time spent up to now is 273.3 secs Computing kpt #: 217 total cpu time spent up to now is 274.3 secs Computing kpt #: 218 total cpu time spent up to now is 275.4 secs Computing kpt #: 219 total cpu time spent up to now is 276.4 secs Computing kpt #: 220 total cpu time spent up to now is 277.4 secs Computing kpt #: 221 total cpu time spent up to now is 278.4 secs Computing kpt #: 222 total cpu time spent up to now is 279.4 secs Computing kpt #: 223 total cpu time spent up to now is 280.5 secs Computing kpt #: 224 total cpu time spent up to now is 281.6 secs Computing kpt #: 225 total cpu time spent up to now is 283.1 secs Computing kpt #: 226 total cpu time spent up to now is 284.4 secs Computing kpt #: 227 total cpu time spent up to now is 285.5 secs Computing kpt #: 228 total cpu time spent up to now is 286.5 secs Computing kpt #: 229 total cpu time spent up to now is 287.4 secs Computing kpt #: 230 total cpu time spent up to now is 288.2 secs Computing kpt #: 231 total cpu time spent up to now is 289.1 secs Computing kpt #: 232 total cpu time spent up to now is 289.9 secs Computing kpt #: 233 total cpu time spent up to now is 290.9 secs Computing kpt #: 234 total cpu time spent up to now is 291.8 secs Computing kpt #: 235 total cpu time spent up to now is 292.7 secs Computing kpt #: 236 total cpu time spent up to now is 293.6 secs Computing kpt #: 237 total cpu time spent up to now is 294.5 secs Computing kpt #: 238 total cpu time spent up to now is 295.4 secs Computing kpt #: 239 total cpu time spent up to now is 296.4 secs Computing kpt #: 240 total cpu time spent up to now is 297.3 secs Computing kpt #: 241 total cpu time spent up to now is 298.1 secs Computing kpt #: 242 total cpu time spent up to now is 298.9 secs Computing kpt #: 243 total cpu time spent up to now is 299.7 secs Computing kpt #: 244 total cpu time spent up to now is 300.5 secs Computing kpt #: 245 total cpu time spent up to now is 301.5 secs Computing kpt #: 246 total cpu time spent up to now is 302.8 secs Computing kpt #: 247 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 305.4 secs Computing kpt #: 248 total cpu time spent up to now is 307.0 secs Computing kpt #: 249 total cpu time spent up to now is 308.7 secs Computing kpt #: 250 total cpu time spent up to now is 309.9 secs Computing kpt #: 251 total cpu time spent up to now is 311.0 secs Computing kpt #: 252 total cpu time spent up to now is 312.1 secs Computing kpt #: 253 total cpu time spent up to now is 313.2 secs Computing kpt #: 254 total cpu time spent up to now is 314.3 secs Computing kpt #: 255 total cpu time spent up to now is 315.3 secs Computing kpt #: 256 total cpu time spent up to now is 316.5 secs Computing kpt #: 257 total cpu time spent up to now is 317.8 secs Computing kpt #: 258 total cpu time spent up to now is 319.0 secs Computing kpt #: 259 total cpu time spent up to now is 320.2 secs Computing kpt #: 260 total cpu time spent up to now is 321.4 secs Computing kpt #: 261 total cpu time spent up to now is 322.5 secs Computing kpt #: 262 total cpu time spent up to now is 323.5 secs Computing kpt #: 263 total cpu time spent up to now is 324.3 secs Computing kpt #: 264 total cpu time spent up to now is 325.1 secs Computing kpt #: 265 total cpu time spent up to now is 326.0 secs Computing kpt #: 266 total cpu time spent up to now is 326.9 secs Computing kpt #: 267 total cpu time spent up to now is 327.8 secs Computing kpt #: 268 total cpu time spent up to now is 328.8 secs Computing kpt #: 269 total cpu time spent up to now is 329.7 secs Computing kpt #: 270 total cpu time spent up to now is 330.5 secs Computing kpt #: 271 total cpu time spent up to now is 331.3 secs Computing kpt #: 272 total cpu time spent up to now is 333.2 secs Computing kpt #: 273 total cpu time spent up to now is 335.2 secs Computing kpt #: 274 total cpu time spent up to now is 337.3 secs Computing kpt #: 275 total cpu time spent up to now is 339.5 secs Computing kpt #: 276 total cpu time spent up to now is 341.2 secs Computing kpt #: 277 total cpu time spent up to now is 342.9 secs Computing kpt #: 278 total cpu time spent up to now is 344.5 secs Computing kpt #: 279 total cpu time spent up to now is 346.0 secs Computing kpt #: 280 total cpu time spent up to now is 347.5 secs Computing kpt #: 281 total cpu time spent up to now is 349.1 secs Computing kpt #: 282 total cpu time spent up to now is 350.7 secs Computing kpt #: 283 total cpu time spent up to now is 352.2 secs Computing kpt #: 284 total cpu time spent up to now is 353.9 secs Computing kpt #: 285 total cpu time spent up to now is 356.3 secs Computing kpt #: 286 total cpu time spent up to now is 358.0 secs Computing kpt #: 287 total cpu time spent up to now is 359.4 secs Computing kpt #: 288 total cpu time spent up to now is 360.9 secs Computing kpt #: 289 total cpu time spent up to now is 362.2 secs Computing kpt #: 290 total cpu time spent up to now is 363.4 secs Computing kpt #: 291 total cpu time spent up to now is 364.4 secs Computing kpt #: 292 total cpu time spent up to now is 365.2 secs Computing kpt #: 293 total cpu time spent up to now is 366.2 secs Computing kpt #: 294 total cpu time spent up to now is 367.0 secs Computing kpt #: 295 total cpu time spent up to now is 367.8 secs Computing kpt #: 296 total cpu time spent up to now is 368.7 secs Computing kpt #: 297 total cpu time spent up to now is 369.6 secs Computing kpt #: 298 total cpu time spent up to now is 370.4 secs Computing kpt #: 299 total cpu time spent up to now is 371.3 secs Computing kpt #: 300 total cpu time spent up to now is 372.1 secs ethr = 2.50E-08, avg # of iterations = 35.4 total cpu time spent up to now is 372.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 9353 PWs) bands (ev): -12.2969 -12.2969 -12.1315 -12.1315 -10.5227 -10.5227 -9.9530 -9.9530 -9.6162 -9.6162 -9.6048 -9.6048 -9.5937 -9.5937 -9.5811 -9.5811 -4.0293 -4.0293 -3.9882 -3.9882 -3.9147 -3.9147 -2.7621 -2.7621 -2.5555 -2.5555 -2.4622 -2.4622 -2.3162 -2.3162 -2.1769 -2.1769 -2.1360 -2.1360 -2.1025 -2.1025 -1.6079 -1.6079 -1.1817 -1.1817 -1.0737 -1.0737 -1.0348 -1.0348 -0.9409 -0.9409 -0.9075 -0.9075 k = 0.0139 0.0178-0.0000 ( 9347 PWs) bands (ev): -12.2966 -12.2966 -12.1317 -12.1317 -10.5229 -10.5229 -9.9534 -9.9534 -9.6170 -9.6170 -9.6060 -9.6060 -9.5915 -9.5915 -9.5810 -9.5810 -4.0316 -4.0316 -3.9875 -3.9875 -3.9119 -3.9119 -2.7611 -2.7611 -2.5551 -2.5551 -2.4692 -2.4692 -2.3170 -2.3170 -2.1762 -2.1762 -2.1354 -2.1354 -2.0944 -2.0944 -1.6082 -1.6082 -1.1828 -1.1828 -1.0744 -1.0744 -1.0321 -1.0321 -0.9424 -0.9424 -0.9148 -0.9148 k = 0.0277 0.0356-0.0000 ( 9357 PWs) bands (ev): -12.2959 -12.2959 -12.1322 -12.1322 -10.5234 -10.5234 -9.9546 -9.9546 -9.6195 -9.6195 -9.6074 -9.6074 -9.5866 -9.5866 -9.5807 -9.5807 -4.0377 -4.0377 -3.9855 -3.9855 -3.9041 -3.9041 -2.7582 -2.7582 -2.5538 -2.5538 -2.4884 -2.4884 -2.3194 -2.3194 -2.1742 -2.1742 -2.1335 -2.1335 -2.0717 -2.0717 -1.6090 -1.6090 -1.1857 -1.1857 -1.0765 -1.0765 -1.0246 -1.0246 -0.9468 -0.9468 -0.9310 -0.9310 k = 0.0416 0.0533-0.0000 ( 9363 PWs) bands (ev): -12.2947 -12.2947 -12.1330 -12.1330 -10.5243 -10.5243 -9.9564 -9.9564 -9.6235 -9.6235 -9.6076 -9.6076 -9.5810 -9.5810 -9.5801 -9.5801 -4.0464 -4.0464 -3.9822 -3.9822 -3.8927 -3.8927 -2.7533 -2.7533 -2.5519 -2.5519 -2.5159 -2.5159 -2.3234 -2.3234 -2.1709 -2.1709 -2.1305 -2.1305 -2.0381 -2.0381 -1.6104 -1.6104 -1.1896 -1.1896 -1.0800 -1.0800 -1.0128 -1.0128 -0.9540 -0.9540 -0.9500 -0.9500 k = 0.0554 0.0711-0.0000 ( 9374 PWs) bands (ev): -12.2930 -12.2930 -12.1341 -12.1341 -10.5256 -10.5256 -9.9590 -9.9590 -9.6281 -9.6281 -9.6070 -9.6070 -9.5795 -9.5795 -9.5749 -9.5749 -4.0563 -4.0563 -3.9776 -3.9776 -3.8790 -3.8790 -2.7465 -2.7465 -2.5548 -2.5548 -2.5429 -2.5429 -2.3289 -2.3289 -2.1665 -2.1665 -2.1263 -2.1263 -1.9971 -1.9971 -1.6122 -1.6122 -1.1940 -1.1940 -1.0849 -1.0849 -0.9976 -0.9976 -0.9698 -0.9698 -0.9633 -0.9633 k = 0.0693 0.0889-0.0000 ( 9382 PWs) bands (ev): -12.2909 -12.2909 -12.1355 -12.1355 -10.5271 -10.5271 -9.9622 -9.9622 -9.6330 -9.6330 -9.6058 -9.6058 -9.5787 -9.5787 -9.5687 -9.5687 -4.0664 -4.0664 -3.9717 -3.9717 -3.8637 -3.8637 -2.7378 -2.7378 -2.5868 -2.5868 -2.5425 -2.5425 -2.3359 -2.3359 -2.1610 -2.1610 -2.1211 -2.1211 -1.9512 -1.9512 -1.6145 -1.6145 -1.1981 -1.1981 -1.0912 -1.0912 -0.9886 -0.9886 -0.9798 -0.9797 -0.9753 -0.9753 k = 0.0832 0.1067-0.0000 ( 9378 PWs) bands (ev): -12.2883 -12.2883 -12.1372 -12.1372 -10.5290 -10.5290 -9.9659 -9.9659 -9.6378 -9.6378 -9.6041 -9.6041 -9.5780 -9.5780 -9.5624 -9.5624 -4.0763 -4.0763 -3.9645 -3.9645 -3.8476 -3.8476 -2.7274 -2.7274 -2.6235 -2.6235 -2.5374 -2.5374 -2.3444 -2.3444 -2.1547 -2.1547 -2.1148 -2.1148 -1.9020 -1.9020 -1.6171 -1.6171 -1.2014 -1.2014 -1.0990 -1.0990 -1.0062 -1.0062 -0.9895 -0.9895 -0.9599 -0.9599 k = 0.0970 0.1244-0.0000 ( 9368 PWs) bands (ev): -12.2853 -12.2853 -12.1392 -12.1392 -10.5311 -10.5311 -9.9702 -9.9702 -9.6426 -9.6426 -9.6020 -9.6020 -9.5773 -9.5773 -9.5561 -9.5561 -4.0855 -4.0855 -3.9562 -3.9562 -3.8310 -3.8310 -2.7155 -2.7155 -2.6603 -2.6603 -2.5310 -2.5310 -2.3541 -2.3541 -2.1479 -2.1479 -2.1076 -2.1076 -1.8507 -1.8507 -1.6199 -1.6199 -1.2037 -1.2037 -1.1083 -1.1083 -1.0219 -1.0219 -1.0055 -1.0055 -0.9385 -0.9385 k = 0.1109 0.1422-0.0000 ( 9342 PWs) bands (ev): -12.2819 -12.2819 -12.1415 -12.1415 -10.5335 -10.5335 -9.9748 -9.9748 -9.6471 -9.6471 -9.5996 -9.5996 -9.5769 -9.5769 -9.5498 -9.5498 -4.0936 -4.0936 -3.9468 -3.9468 -3.8142 -3.8142 -2.7069 -2.7069 -2.6915 -2.6915 -2.5234 -2.5234 -2.3651 -2.3651 -2.1408 -2.1408 -2.0996 -2.0996 -1.7981 -1.7981 -1.6227 -1.6227 -1.2048 -1.2048 -1.1193 -1.1193 -1.0354 -1.0354 -1.0233 -1.0233 -0.9581 -0.9581 k = 0.1248 0.1600-0.0000 ( 9342 PWs) bands (ev): -12.2782 -12.2782 -12.1440 -12.1440 -10.5361 -10.5361 -9.9797 -9.9797 -9.6514 -9.6514 -9.5969 -9.5969 -9.5766 -9.5766 -9.5436 -9.5436 -4.1005 -4.1005 -3.9363 -3.9363 -3.7974 -3.7974 -2.7352 -2.7352 -2.6833 -2.6833 -2.5145 -2.5145 -2.3771 -2.3771 -2.1336 -2.1336 -2.0911 -2.0911 -1.7449 -1.7449 -1.6252 -1.6252 -1.2044 -1.2044 -1.1318 -1.1318 -1.0466 -1.0466 -1.0426 -1.0426 -0.9918 -0.9918 k = 0.1386 0.1778-0.0000 ( 9352 PWs) bands (ev): -12.2741 -12.2741 -12.1467 -12.1467 -10.5389 -10.5389 -9.9848 -9.9848 -9.6555 -9.6555 -9.5939 -9.5939 -9.5767 -9.5767 -9.5375 -9.5375 -4.1060 -4.1060 -3.9249 -3.9249 -3.7806 -3.7806 -2.7691 -2.7691 -2.6666 -2.6666 -2.5044 -2.5044 -2.3900 -2.3900 -2.1269 -2.1269 -2.0822 -2.0822 -1.6921 -1.6921 -1.6271 -1.6271 -1.2027 -1.2027 -1.1458 -1.1458 -1.0634 -1.0634 -1.0551 -1.0551 -1.0269 -1.0269 k = 0.1525 0.1956-0.0000 ( 9348 PWs) bands (ev): -12.2696 -12.2696 -12.1496 -12.1496 -10.5418 -10.5418 -9.9901 -9.9901 -9.6594 -9.6594 -9.5906 -9.5906 -9.5773 -9.5773 -9.5316 -9.5316 -4.1100 -4.1100 -3.9127 -3.9127 -3.7639 -3.7639 -2.8017 -2.8017 -2.6481 -2.6481 -2.4931 -2.4931 -2.4037 -2.4037 -2.1209 -2.1209 -2.0731 -2.0731 -1.6408 -1.6408 -1.6280 -1.6280 -1.1994 -1.1994 -1.1609 -1.1609 -1.0852 -1.0852 -1.0660 -1.0660 -1.0581 -1.0581 k = 0.1663 0.2133-0.0000 ( 9344 PWs) bands (ev): -12.2649 -12.2649 -12.1527 -12.1527 -10.5448 -10.5448 -9.9954 -9.9954 -9.6630 -9.6630 -9.5871 -9.5871 -9.5782 -9.5782 -9.5258 -9.5258 -4.1123 -4.1123 -3.8997 -3.8997 -3.7475 -3.7475 -2.8325 -2.8325 -2.6282 -2.6282 -2.4805 -2.4805 -2.4181 -2.4181 -2.1161 -2.1161 -2.0638 -2.0638 -1.6278 -1.6278 -1.5920 -1.5920 -1.1947 -1.1947 -1.1767 -1.1767 -1.1079 -1.1079 -1.0990 -1.0990 -1.0639 -1.0639 k = 0.1802 0.2311-0.0000 ( 9354 PWs) bands (ev): -12.2599 -12.2599 -12.1560 -12.1560 -10.5478 -10.5478 -10.0008 -10.0008 -9.6664 -9.6664 -9.5833 -9.5833 -9.5797 -9.5797 -9.5202 -9.5202 -4.1131 -4.1131 -3.8862 -3.8862 -3.7314 -3.7314 -2.8610 -2.8610 -2.6072 -2.6072 -2.4668 -2.4668 -2.4329 -2.4329 -2.1129 -2.1129 -2.0546 -2.0546 -1.6257 -1.6257 -1.5490 -1.5490 -1.1930 -1.1930 -1.1885 -1.1885 -1.1314 -1.1314 -1.1302 -1.1302 -1.0656 -1.0656 k = 0.1941 0.2489-0.0000 ( 9356 PWs) bands (ev): -12.2548 -12.2548 -12.1594 -12.1594 -10.5508 -10.5508 -10.0061 -10.0061 -9.6695 -9.6695 -9.5818 -9.5818 -9.5793 -9.5793 -9.5148 -9.5148 -4.1121 -4.1121 -3.8723 -3.8723 -3.7155 -3.7155 -2.8872 -2.8872 -2.5853 -2.5853 -2.4521 -2.4521 -2.4477 -2.4477 -2.1118 -2.1118 -2.0454 -2.0454 -1.6216 -1.6216 -1.5157 -1.5157 -1.2095 -1.2095 -1.1810 -1.1810 -1.1555 -1.1555 -1.1534 -1.1534 -1.0653 -1.0653 k = 0.2079 0.2667-0.0000 ( 9372 PWs) bands (ev): -12.2494 -12.2494 -12.1629 -12.1629 -10.5538 -10.5538 -10.0114 -10.0114 -9.6724 -9.6724 -9.5845 -9.5845 -9.5752 -9.5752 -9.5097 -9.5097 -4.1093 -4.1093 -3.8582 -3.8582 -3.7000 -3.7000 -2.9106 -2.9106 -2.5627 -2.5627 -2.4634 -2.4634 -2.4356 -2.4356 -2.1128 -2.1128 -2.0364 -2.0364 -1.6152 -1.6152 -1.4981 -1.4981 -1.2260 -1.2260 -1.1794 -1.1794 -1.1721 -1.1721 -1.1631 -1.1631 -1.0631 -1.0631 k = 0.2218 0.2844-0.0000 ( 9374 PWs) bands (ev): -12.2440 -12.2440 -12.1664 -12.1664 -10.5567 -10.5567 -10.0165 -10.0165 -9.6751 -9.6751 -9.5877 -9.5877 -9.5708 -9.5708 -9.5049 -9.5049 -4.1048 -4.1048 -3.8441 -3.8441 -3.6848 -3.6848 -2.9311 -2.9311 -2.5397 -2.5397 -2.4786 -2.4786 -2.4184 -2.4184 -2.1162 -2.1162 -2.0278 -2.0278 -1.6066 -1.6066 -1.5004 -1.5004 -1.2425 -1.2425 -1.2032 -1.2032 -1.1619 -1.1619 -1.1540 -1.1540 -1.0592 -1.0592 k = 0.2356 0.3022-0.0000 ( 9370 PWs) bands (ev): -12.2384 -12.2384 -12.1700 -12.1700 -10.5595 -10.5595 -10.0215 -10.0215 -9.6775 -9.6775 -9.5914 -9.5914 -9.5663 -9.5663 -9.5003 -9.5003 -4.0987 -4.0987 -3.8302 -3.8302 -3.6699 -3.6699 -2.9484 -2.9484 -2.5174 -2.5174 -2.4928 -2.4928 -2.4003 -2.4003 -2.1219 -2.1219 -2.0196 -2.0196 -1.5957 -1.5957 -1.5217 -1.5217 -1.2587 -1.2587 -1.2266 -1.2266 -1.1504 -1.1504 -1.1275 -1.1275 -1.0538 -1.0538 k = 0.2495 0.3200-0.0000 ( 9370 PWs) bands (ev): -12.2328 -12.2328 -12.1736 -12.1736 -10.5622 -10.5622 -10.0263 -10.0263 -9.6796 -9.6796 -9.5958 -9.5958 -9.5617 -9.5617 -9.4961 -9.4961 -4.0909 -4.0909 -3.8167 -3.8167 -3.6555 -3.6555 -2.9622 -2.9622 -2.5123 -2.5123 -2.4895 -2.4895 -2.3814 -2.3814 -2.1295 -2.1295 -2.0122 -2.0122 -1.5828 -1.5828 -1.5567 -1.5567 -1.2743 -1.2743 -1.2492 -1.2492 -1.1377 -1.1377 -1.0887 -1.0887 -1.0470 -1.0470 k = 0.2634 0.3378-0.0000 ( 9384 PWs) bands (ev): -12.2271 -12.2271 -12.1773 -12.1773 -10.5647 -10.5647 -10.0308 -10.0308 -9.6816 -9.6816 -9.6006 -9.6006 -9.5570 -9.5570 -9.4922 -9.4922 -4.0815 -4.0815 -3.8039 -3.8039 -3.6414 -3.6414 -2.9723 -2.9723 -2.5259 -2.5259 -2.4675 -2.4675 -2.3618 -2.3618 -2.1388 -2.1388 -2.0057 -2.0057 -1.6004 -1.6004 -1.5681 -1.5681 -1.2891 -1.2891 -1.2707 -1.2707 -1.1240 -1.1240 -1.0429 -1.0429 -1.0389 -1.0389 k = 0.2772 0.3556-0.0000 ( 9398 PWs) bands (ev): -12.2216 -12.2216 -12.1808 -12.1808 -10.5669 -10.5669 -10.0352 -10.0352 -9.6834 -9.6834 -9.6059 -9.6059 -9.5522 -9.5522 -9.4886 -9.4886 -4.0707 -4.0707 -3.7921 -3.7921 -3.6278 -3.6278 -2.9785 -2.9785 -2.5403 -2.5403 -2.4448 -2.4448 -2.3418 -2.3418 -2.1494 -2.1494 -2.0003 -2.0003 -1.6496 -1.6496 -1.5519 -1.5519 -1.3029 -1.3029 -1.2906 -1.2906 -1.1091 -1.1091 -1.0661 -1.0661 -1.0297 -1.0297 k = 0.2911 0.3733-0.0000 ( 9394 PWs) bands (ev): -12.2161 -12.2161 -12.1844 -12.1844 -10.5690 -10.5690 -10.0392 -10.0392 -9.6849 -9.6849 -9.6116 -9.6116 -9.5473 -9.5473 -9.4854 -9.4854 -4.0585 -4.0585 -3.7812 -3.7812 -3.6146 -3.6146 -2.9806 -2.9806 -2.5544 -2.5544 -2.4226 -2.4226 -2.3217 -2.3217 -2.1608 -2.1608 -1.9961 -1.9961 -1.7022 -1.7022 -1.5345 -1.5345 -1.3155 -1.3155 -1.3088 -1.3088 -1.1098 -1.1098 -1.0933 -1.0933 -1.0196 -1.0195 k = 0.3050 0.3911-0.0000 ( 9396 PWs) bands (ev): -12.2107 -12.2107 -12.1878 -12.1878 -10.5708 -10.5708 -10.0431 -10.0431 -9.6863 -9.6863 -9.6177 -9.6177 -9.5424 -9.5424 -9.4825 -9.4825 -4.0452 -4.0452 -3.7717 -3.7717 -3.6019 -3.6019 -2.9785 -2.9785 -2.5680 -2.5680 -2.4014 -2.4014 -2.3017 -2.3017 -2.1725 -2.1725 -1.9934 -1.9934 -1.7571 -1.7571 -1.5165 -1.5165 -1.3269 -1.3269 -1.3246 -1.3246 -1.1531 -1.1531 -1.0766 -1.0766 -1.0085 -1.0085 k = 0.3188 0.4089-0.0000 ( 9390 PWs) bands (ev): -12.2055 -12.2055 -12.1911 -12.1911 -10.5723 -10.5723 -10.0466 -10.0466 -9.6875 -9.6875 -9.6239 -9.6239 -9.5375 -9.5375 -9.4801 -9.4801 -4.0309 -4.0309 -3.7634 -3.7634 -3.5898 -3.5898 -2.9720 -2.9720 -2.5809 -2.5809 -2.3814 -2.3814 -2.2825 -2.2825 -2.1838 -2.1838 -1.9922 -1.9922 -1.8134 -1.8134 -1.4981 -1.4981 -1.3392 -1.3392 -1.3357 -1.3357 -1.1948 -1.1948 -1.0590 -1.0590 -0.9967 -0.9967 k = 0.3327 0.4267-0.0000 ( 9392 PWs) bands (ev): -12.2005 -12.2005 -12.1943 -12.1943 -10.5736 -10.5736 -10.0499 -10.0499 -9.6886 -9.6886 -9.6303 -9.6303 -9.5326 -9.5326 -9.4780 -9.4780 -4.0158 -4.0158 -3.7566 -3.7566 -3.5783 -3.5783 -2.9612 -2.9612 -2.5932 -2.5932 -2.3629 -2.3629 -2.2654 -2.2654 -2.1935 -2.1935 -1.9926 -1.9926 -1.8704 -1.8704 -1.4797 -1.4797 -1.3509 -1.3509 -1.3435 -1.3435 -1.2341 -1.2341 -1.0407 -1.0407 -0.9844 -0.9844 k = 0.3465 0.4444-0.0000 ( 9382 PWs) bands (ev): -12.1973 -12.1973 -12.1957 -12.1957 -10.5747 -10.5747 -10.0529 -10.0529 -9.6895 -9.6895 -9.6368 -9.6368 -9.5278 -9.5278 -9.4763 -9.4763 -4.0001 -4.0001 -3.7511 -3.7511 -3.5676 -3.5676 -2.9461 -2.9461 -2.6048 -2.6048 -2.3462 -2.3462 -2.2529 -2.2529 -2.1988 -2.1988 -1.9949 -1.9949 -1.9275 -1.9275 -1.4617 -1.4617 -1.3611 -1.3611 -1.3491 -1.3491 -1.2697 -1.2697 -1.0216 -1.0216 -0.9718 -0.9718 k = 0.3604 0.4622-0.0000 ( 9388 PWs) bands (ev): -12.2001 -12.2001 -12.1913 -12.1913 -10.5756 -10.5756 -10.0557 -10.0557 -9.6902 -9.6902 -9.6432 -9.6432 -9.5230 -9.5230 -9.4751 -9.4751 -3.9842 -3.9842 -3.7468 -3.7468 -3.5576 -3.5576 -2.9269 -2.9269 -2.6155 -2.6155 -2.3314 -2.3314 -2.2490 -2.2490 -2.1959 -2.1959 -2.0033 -2.0033 -1.9800 -1.9800 -1.4444 -1.4444 -1.3711 -1.3711 -1.3525 -1.3525 -1.3000 -1.3000 -1.0020 -1.0020 -0.9603 -0.9603 k = 0.3743 0.4800-0.0000 ( 9388 PWs) bands (ev): -12.2028 -12.2028 -12.1871 -12.1871 -10.5763 -10.5763 -10.0581 -10.0581 -9.6909 -9.6909 -9.6494 -9.6494 -9.5183 -9.5183 -9.4742 -9.4742 -3.9683 -3.9683 -3.7438 -3.7438 -3.5484 -3.5484 -2.9036 -2.9036 -2.6254 -2.6254 -2.3189 -2.3189 -2.2529 -2.2529 -2.1856 -2.1856 -2.0477 -2.0477 -1.9971 -1.9971 -1.4282 -1.4282 -1.3835 -1.3835 -1.3537 -1.3537 -1.3219 -1.3219 -0.9822 -0.9822 -0.9610 -0.9610 k = 0.3881 0.4978-0.0000 ( 9390 PWs) bands (ev): -12.2052 -12.2052 -12.1833 -12.1833 -10.5767 -10.5767 -10.0603 -10.0603 -9.6914 -9.6914 -9.6554 -9.6554 -9.5138 -9.5138 -9.4737 -9.4737 -3.9526 -3.9526 -3.7417 -3.7417 -3.5401 -3.5401 -2.8766 -2.8766 -2.6344 -2.6344 -2.3088 -2.3088 -2.2598 -2.2598 -2.1736 -2.1736 -2.1029 -2.1029 -2.0028 -2.0028 -1.4133 -1.4133 -1.4007 -1.4007 -1.3526 -1.3526 -1.3332 -1.3332 -0.9746 -0.9746 -0.9602 -0.9602 k = 0.4020 0.5156-0.0000 ( 9376 PWs) bands (ev): -12.2074 -12.2074 -12.1799 -12.1799 -10.5770 -10.5770 -10.0622 -10.0622 -9.6919 -9.6919 -9.6609 -9.6609 -9.5094 -9.5094 -9.4736 -9.4736 -3.9377 -3.9377 -3.7403 -3.7403 -3.5328 -3.5328 -2.8461 -2.8461 -2.6424 -2.6424 -2.3014 -2.3014 -2.2668 -2.2668 -2.1748 -2.1748 -2.1453 -2.1453 -2.0080 -2.0080 -1.4205 -1.4205 -1.3997 -1.3997 -1.3495 -1.3495 -1.3361 -1.3361 -0.9873 -0.9873 -0.9406 -0.9405 k = 0.4020 0.5156-0.0000 ( 9376 PWs) bands (ev): -12.2074 -12.2074 -12.1799 -12.1799 -10.5770 -10.5770 -10.0622 -10.0622 -9.6919 -9.6919 -9.6609 -9.6609 -9.5094 -9.5094 -9.4736 -9.4736 -3.9377 -3.9377 -3.7403 -3.7403 -3.5328 -3.5328 -2.8461 -2.8461 -2.6424 -2.6424 -2.3014 -2.3014 -2.2668 -2.2668 -2.1748 -2.1748 -2.1453 -2.1453 -2.0080 -2.0080 -1.4205 -1.4205 -1.3997 -1.3997 -1.3495 -1.3495 -1.3361 -1.3361 -0.9873 -0.9873 -0.9406 -0.9405 k = 0.3797 0.5156-0.0000 ( 9386 PWs) bands (ev): -12.2063 -12.2063 -12.1817 -12.1817 -10.5768 -10.5768 -10.0610 -10.0610 -9.6915 -9.6915 -9.6575 -9.6575 -9.5122 -9.5122 -9.4737 -9.4737 -3.9469 -3.9469 -3.7415 -3.7415 -3.5378 -3.5378 -2.8654 -2.8654 -2.6359 -2.6359 -2.3124 -2.3124 -2.2581 -2.2581 -2.1697 -2.1697 -2.1233 -2.1233 -2.0042 -2.0042 -1.4196 -1.4196 -1.3973 -1.3973 -1.3499 -1.3499 -1.3342 -1.3342 -0.9803 -0.9803 -0.9534 -0.9534 k = 0.3573 0.5156-0.0000 ( 9392 PWs) bands (ev): -12.2058 -12.2058 -12.1832 -12.1832 -10.5763 -10.5763 -10.0593 -10.0593 -9.6908 -9.6908 -9.6537 -9.6537 -9.5156 -9.5156 -9.4741 -9.4741 -3.9569 -3.9569 -3.7439 -3.7439 -3.5441 -3.5441 -2.8843 -2.8843 -2.6258 -2.6258 -2.3322 -2.3322 -2.2452 -2.2452 -2.1744 -2.1744 -2.0909 -2.0909 -1.9999 -1.9999 -1.4286 -1.4286 -1.3886 -1.3886 -1.3458 -1.3458 -1.3276 -1.3276 -0.9761 -0.9760 -0.9676 -0.9676 k = 0.3350 0.5156-0.0000 ( 9389 PWs) bands (ev): -12.2059 -12.2059 -12.1844 -12.1844 -10.5755 -10.5755 -10.0574 -10.0574 -9.6896 -9.6896 -9.6497 -9.6497 -9.5194 -9.5194 -9.4748 -9.4748 -3.9675 -3.9675 -3.7472 -3.7472 -3.5517 -3.5517 -2.9024 -2.9024 -2.6125 -2.6125 -2.3560 -2.3560 -2.2320 -2.2320 -2.1801 -2.1801 -2.0573 -2.0573 -1.9957 -1.9957 -1.4368 -1.4368 -1.3853 -1.3853 -1.3364 -1.3364 -1.3163 -1.3163 -0.9865 -0.9865 -0.9708 -0.9708 k = 0.3127 0.5156-0.0000 ( 9391 PWs) bands (ev): -12.2064 -12.2064 -12.1851 -12.1851 -10.5747 -10.5747 -10.0552 -10.0552 -9.6881 -9.6881 -9.6454 -9.6454 -9.5237 -9.5237 -9.4758 -9.4758 -3.9784 -3.9784 -3.7513 -3.7513 -3.5602 -3.5602 -2.9198 -2.9198 -2.5961 -2.5961 -2.3818 -2.3818 -2.2197 -2.2197 -2.1853 -2.1853 -2.0250 -2.0250 -1.9913 -1.9913 -1.4432 -1.4432 -1.3861 -1.3861 -1.3226 -1.3226 -1.3019 -1.3019 -1.0047 -1.0047 -0.9693 -0.9693 k = 0.2903 0.5156-0.0000 ( 9390 PWs) bands (ev): -12.2074 -12.2074 -12.1856 -12.1856 -10.5736 -10.5736 -10.0528 -10.0528 -9.6862 -9.6862 -9.6410 -9.6410 -9.5284 -9.5284 -9.4770 -9.4770 -3.9895 -3.9895 -3.7561 -3.7561 -3.5692 -3.5692 -2.9364 -2.9364 -2.5773 -2.5773 -2.4085 -2.4085 -2.2097 -2.2097 -2.1887 -2.1887 -2.0027 -2.0027 -1.9789 -1.9789 -1.4477 -1.4477 -1.3887 -1.3887 -1.3061 -1.3061 -1.2857 -1.2857 -1.0244 -1.0244 -0.9687 -0.9687 k = 0.2680 0.5156-0.0000 ( 9380 PWs) bands (ev): -12.2088 -12.2088 -12.1857 -12.1857 -10.5724 -10.5724 -10.0503 -10.0503 -9.6838 -9.6838 -9.6364 -9.6364 -9.5336 -9.5336 -9.4785 -9.4785 -4.0006 -4.0006 -3.7613 -3.7613 -3.5787 -3.5787 -2.9520 -2.9520 -2.5563 -2.5563 -2.4353 -2.4353 -2.2047 -2.2047 -2.1877 -2.1877 -1.9986 -1.9986 -1.9506 -1.9506 -1.4506 -1.4506 -1.3918 -1.3918 -1.2879 -1.2879 -1.2685 -1.2685 -1.0451 -1.0451 -0.9688 -0.9688 k = 0.2457 0.5156-0.0000 ( 9379 PWs) bands (ev): -12.2104 -12.2104 -12.1857 -12.1857 -10.5712 -10.5712 -10.0477 -10.0477 -9.6809 -9.6809 -9.6318 -9.6318 -9.5391 -9.5391 -9.4801 -9.4801 -4.0116 -4.0116 -3.7669 -3.7669 -3.5882 -3.5882 -2.9666 -2.9666 -2.5337 -2.5337 -2.4616 -2.4616 -2.2053 -2.2053 -2.1819 -2.1819 -1.9998 -1.9998 -1.9196 -1.9196 -1.4522 -1.4522 -1.3948 -1.3948 -1.2697 -1.2697 -1.2500 -1.2500 -1.0662 -1.0662 -0.9693 -0.9693 k = 0.2233 0.5156-0.0000 ( 9377 PWs) bands (ev): -12.2121 -12.2121 -12.1856 -12.1856 -10.5699 -10.5699 -10.0450 -10.0450 -9.6777 -9.6777 -9.6271 -9.6271 -9.5450 -9.5450 -9.4820 -9.4820 -4.0223 -4.0223 -3.7724 -3.7724 -3.5977 -3.5977 -2.9802 -2.9802 -2.5111 -2.5111 -2.4860 -2.4860 -2.2073 -2.2073 -2.1752 -2.1752 -2.0028 -2.0028 -1.8895 -1.8895 -1.4527 -1.4527 -1.3973 -1.3973 -1.2530 -1.2530 -1.2294 -1.2294 -1.0872 -1.0872 -0.9699 -0.9699 k = 0.2010 0.5156-0.0000 ( 9377 PWs) bands (ev): -12.2138 -12.2138 -12.1854 -12.1854 -10.5686 -10.5686 -10.0423 -10.0423 -9.6739 -9.6739 -9.6226 -9.6226 -9.5513 -9.5513 -9.4839 -9.4839 -4.0324 -4.0324 -3.7780 -3.7780 -3.6068 -3.6068 -2.9926 -2.9926 -2.5139 -2.5139 -2.4829 -2.4829 -2.2091 -2.2091 -2.1697 -2.1697 -2.0068 -2.0068 -1.8611 -1.8611 -1.4523 -1.4523 -1.3994 -1.3994 -1.2387 -1.2387 -1.2069 -1.2069 -1.1073 -1.1073 -0.9707 -0.9707 k = 0.1787 0.5156-0.0000 ( 9376 PWs) bands (ev): -12.2154 -12.2154 -12.1852 -12.1852 -10.5674 -10.5674 -10.0397 -10.0397 -9.6697 -9.6697 -9.6182 -9.6182 -9.5578 -9.5578 -9.4860 -9.4860 -4.0420 -4.0420 -3.7833 -3.7833 -3.6154 -3.6154 -3.0038 -3.0038 -2.5356 -2.5356 -2.4590 -2.4590 -2.2103 -2.2103 -2.1657 -2.1657 -2.0112 -2.0112 -1.8351 -1.8351 -1.4514 -1.4514 -1.4008 -1.4008 -1.2264 -1.2264 -1.1835 -1.1835 -1.1256 -1.1256 -0.9718 -0.9717 k = 0.1563 0.5156-0.0000 ( 9373 PWs) bands (ev): -12.2169 -12.2169 -12.1851 -12.1851 -10.5662 -10.5662 -10.0373 -10.0373 -9.6651 -9.6651 -9.6141 -9.6141 -9.5644 -9.5644 -9.4881 -9.4881 -4.0507 -4.0507 -3.7883 -3.7883 -3.6233 -3.6233 -3.0138 -3.0138 -2.5562 -2.5562 -2.4349 -2.4349 -2.2106 -2.2106 -2.1633 -2.1633 -2.0156 -2.0156 -1.8121 -1.8121 -1.4501 -1.4501 -1.4017 -1.4017 -1.2159 -1.2159 -1.1602 -1.1602 -1.1415 -1.1415 -0.9730 -0.9730 k = 0.1340 0.5156-0.0000 ( 9375 PWs) bands (ev): -12.2183 -12.2183 -12.1849 -12.1849 -10.5651 -10.5651 -10.0350 -10.0350 -9.6601 -9.6601 -9.6105 -9.6105 -9.5711 -9.5711 -9.4902 -9.4902 -4.0586 -4.0586 -3.7929 -3.7929 -3.6304 -3.6304 -3.0226 -3.0226 -2.5746 -2.5746 -2.4117 -2.4117 -2.2101 -2.2101 -2.1626 -2.1626 -2.0196 -2.0196 -1.7923 -1.7923 -1.4486 -1.4486 -1.4020 -1.4020 -1.2069 -1.2069 -1.1544 -1.1544 -1.1378 -1.1378 -0.9746 -0.9746 k = 0.1117 0.5156-0.0000 ( 9372 PWs) bands (ev): -12.2196 -12.2196 -12.1848 -12.1848 -10.5641 -10.5641 -10.0330 -10.0330 -9.6546 -9.6546 -9.6076 -9.6076 -9.5775 -9.5775 -9.4922 -9.4922 -4.0654 -4.0654 -3.7969 -3.7969 -3.6366 -3.6366 -3.0300 -3.0300 -2.5906 -2.5906 -2.3904 -2.3904 -2.2087 -2.2087 -2.1635 -2.1635 -2.0231 -2.0231 -1.7762 -1.7762 -1.4472 -1.4472 -1.4021 -1.4021 -1.1995 -1.1995 -1.1635 -1.1635 -1.1172 -1.1172 -0.9767 -0.9767 k = 0.0893 0.5156-0.0000 ( 9375 PWs) bands (ev): -12.2206 -12.2206 -12.1847 -12.1847 -10.5633 -10.5633 -10.0313 -10.0313 -9.6489 -9.6489 -9.6060 -9.6060 -9.5831 -9.5831 -9.4940 -9.4940 -4.0712 -4.0712 -3.8003 -3.8003 -3.6418 -3.6418 -3.0361 -3.0361 -2.6039 -2.6039 -2.3715 -2.3715 -2.2066 -2.2066 -2.1655 -2.1655 -2.0259 -2.0259 -1.7637 -1.7637 -1.4459 -1.4459 -1.4018 -1.4018 -1.1935 -1.1935 -1.1689 -1.1689 -1.0988 -1.0988 -0.9801 -0.9801 k = 0.0670 0.5156-0.0000 ( 9375 PWs) bands (ev): -12.2214 -12.2214 -12.1846 -12.1846 -10.5626 -10.5626 -10.0299 -10.0299 -9.6429 -9.6429 -9.6065 -9.6065 -9.5871 -9.5871 -9.4955 -9.4955 -4.0757 -4.0757 -3.8030 -3.8030 -3.6459 -3.6459 -3.0409 -3.0409 -2.6145 -2.6145 -2.3559 -2.3559 -2.2039 -2.2039 -2.1685 -2.1685 -2.0279 -2.0279 -1.7547 -1.7547 -1.4448 -1.4448 -1.4015 -1.4015 -1.1889 -1.1889 -1.1709 -1.1709 -1.0833 -1.0833 -0.9893 -0.9893 k = 0.0447 0.5156-0.0000 ( 9381 PWs) bands (ev): -12.2220 -12.2220 -12.1846 -12.1846 -10.5621 -10.5621 -10.0289 -10.0289 -9.6368 -9.6368 -9.6097 -9.6097 -9.5889 -9.5889 -9.4967 -9.4967 -4.0790 -4.0790 -3.8049 -3.8049 -3.6489 -3.6489 -3.0443 -3.0443 -2.6221 -2.6221 -2.3443 -2.3443 -2.2010 -2.2010 -2.1717 -2.1717 -2.0293 -2.0293 -1.7488 -1.7488 -1.4439 -1.4439 -1.4011 -1.4011 -1.1856 -1.1856 -1.1706 -1.1706 -1.0713 -1.0713 -1.0034 -1.0034 k = 0.0223 0.5156-0.0000 ( 9377 PWs) bands (ev): -12.2224 -12.2224 -12.1846 -12.1846 -10.5618 -10.5618 -10.0283 -10.0283 -9.6310 -9.6310 -9.6144 -9.6144 -9.5893 -9.5893 -9.4974 -9.4974 -4.0810 -4.0810 -3.8061 -3.8061 -3.6507 -3.6507 -3.0464 -3.0464 -2.6267 -2.6267 -2.3370 -2.3370 -2.1985 -2.1985 -2.1744 -2.1744 -2.0301 -2.0301 -1.7455 -1.7455 -1.4434 -1.4434 -1.4009 -1.4009 -1.1836 -1.1836 -1.1694 -1.1694 -1.0636 -1.0636 -1.0138 -1.0138 k = 0.0000 0.5156-0.0000 ( 9366 PWs) bands (ev): -12.2225 -12.2225 -12.1846 -12.1846 -10.5617 -10.5617 -10.0281 -10.0281 -9.6278 -9.6278 -9.6173 -9.6173 -9.5894 -9.5894 -9.4977 -9.4977 -4.0817 -4.0817 -3.8065 -3.8065 -3.6513 -3.6513 -3.0471 -3.0471 -2.6282 -2.6282 -2.3346 -2.3346 -2.1975 -2.1975 -2.1756 -2.1756 -2.0304 -2.0304 -1.7444 -1.7444 -1.4433 -1.4433 -1.4008 -1.4008 -1.1830 -1.1830 -1.1687 -1.1687 -1.0610 -1.0610 -1.0175 -1.0175 k = 0.0000 0.5156-0.0000 ( 9366 PWs) bands (ev): -12.2225 -12.2225 -12.1846 -12.1846 -10.5617 -10.5617 -10.0281 -10.0281 -9.6278 -9.6278 -9.6173 -9.6173 -9.5894 -9.5894 -9.4977 -9.4977 -4.0817 -4.0817 -3.8065 -3.8065 -3.6513 -3.6513 -3.0471 -3.0471 -2.6282 -2.6282 -2.3346 -2.3346 -2.1975 -2.1975 -2.1756 -2.1756 -2.0304 -2.0304 -1.7444 -1.7444 -1.4433 -1.4433 -1.4008 -1.4008 -1.1830 -1.1830 -1.1687 -1.1687 -1.0610 -1.0610 -1.0175 -1.0175 k = 0.0000 0.5156 0.0223 ( 9372 PWs) bands (ev): -12.2223 -12.2223 -12.1844 -12.1844 -10.5612 -10.5612 -10.0281 -10.0281 -9.6278 -9.6278 -9.6178 -9.6178 -9.5894 -9.5894 -9.4984 -9.4984 -4.0818 -4.0818 -3.8067 -3.8067 -3.6516 -3.6516 -3.0468 -3.0468 -2.6290 -2.6290 -2.3360 -2.3360 -2.1983 -2.1983 -2.1708 -2.1708 -2.0345 -2.0345 -1.7516 -1.7516 -1.4357 -1.4357 -1.4020 -1.4020 -1.1909 -1.1909 -1.1641 -1.1641 -1.0611 -1.0611 -1.0125 -1.0125 k = 0.0000 0.5156 0.0446 ( 9372 PWs) bands (ev): -12.2217 -12.2217 -12.1839 -12.1839 -10.5595 -10.5595 -10.0280 -10.0280 -9.6279 -9.6279 -9.6193 -9.6193 -9.5894 -9.5894 -9.5006 -9.5006 -4.0823 -4.0823 -3.8073 -3.8073 -3.6527 -3.6527 -3.0460 -3.0460 -2.6311 -2.6311 -2.3397 -2.3397 -2.2005 -2.2005 -2.1579 -2.1579 -2.0467 -2.0467 -1.7710 -1.7710 -1.4184 -1.4184 -1.4020 -1.4020 -1.2059 -1.2059 -1.1588 -1.1588 -1.0609 -1.0609 -0.9988 -0.9988 k = 0.0000 0.5156 0.0668 ( 9374 PWs) bands (ev): -12.2206 -12.2206 -12.1831 -12.1831 -10.5569 -10.5569 -10.0279 -10.0279 -9.6281 -9.6281 -9.6217 -9.6217 -9.5894 -9.5894 -9.5041 -9.5041 -4.0829 -4.0829 -3.8082 -3.8082 -3.6544 -3.6544 -3.0447 -3.0447 -2.6346 -2.6346 -2.3440 -2.3440 -2.2039 -2.2039 -2.1391 -2.1391 -2.0660 -2.0660 -1.7979 -1.7979 -1.4168 -1.4168 -1.3790 -1.3790 -1.2236 -1.2236 -1.1560 -1.1560 -1.0595 -1.0595 -0.9816 -0.9816 k = 0.0000 0.5156 0.0891 ( 9364 PWs) bands (ev): -12.2192 -12.2192 -12.1819 -12.1819 -10.5531 -10.5531 -10.0277 -10.0277 -9.6284 -9.6284 -9.6252 -9.6252 -9.5894 -9.5894 -9.5090 -9.5090 -4.0838 -4.0838 -3.8096 -3.8096 -3.6568 -3.6568 -3.0431 -3.0431 -2.6392 -2.6392 -2.3477 -2.3477 -2.2090 -2.2090 -2.1183 -2.1183 -2.0893 -2.0893 -1.8288 -1.8288 -1.4230 -1.4230 -1.3442 -1.3442 -1.2430 -1.2430 -1.1556 -1.1556 -1.0563 -1.0563 -0.9745 -0.9745 k = 0.0000 0.5156 0.1114 ( 9370 PWs) bands (ev): -12.2173 -12.2173 -12.1805 -12.1805 -10.5483 -10.5483 -10.0275 -10.0275 -9.6297 -9.6297 -9.6289 -9.6289 -9.5893 -9.5893 -9.5152 -9.5152 -4.0847 -4.0847 -3.8114 -3.8114 -3.6599 -3.6599 -3.0414 -3.0414 -2.6448 -2.6448 -2.3499 -2.3499 -2.2163 -2.2163 -2.1283 -2.1283 -2.0841 -2.0841 -1.8613 -1.8613 -1.4292 -1.4292 -1.3069 -1.3069 -1.2633 -1.2633 -1.1569 -1.1569 -1.0511 -1.0511 -0.9737 -0.9737 k = 0.0000 0.5156 0.1337 ( 9374 PWs) bands (ev): -12.2151 -12.2151 -12.1787 -12.1787 -10.5425 -10.5425 -10.0273 -10.0273 -9.6352 -9.6352 -9.6297 -9.6297 -9.5891 -9.5891 -9.5226 -9.5226 -4.0855 -4.0855 -3.8136 -3.8136 -3.6636 -3.6636 -3.0396 -3.0396 -2.6510 -2.6510 -2.3499 -2.3499 -2.2268 -2.2268 -2.1610 -2.1610 -2.0574 -2.0574 -1.8940 -1.8940 -1.4339 -1.4339 -1.2842 -1.2842 -1.2692 -1.2692 -1.1591 -1.1591 -1.0435 -1.0435 -0.9770 -0.9770 k = 0.0000 0.5156 0.1559 ( 9376 PWs) bands (ev): -12.2125 -12.2125 -12.1767 -12.1767 -10.5356 -10.5356 -10.0270 -10.0270 -9.6416 -9.6416 -9.6308 -9.6308 -9.5889 -9.5889 -9.5309 -9.5309 -4.0861 -4.0861 -3.8163 -3.8163 -3.6679 -3.6679 -3.0381 -3.0381 -2.6577 -2.6577 -2.3476 -2.3476 -2.2430 -2.2430 -2.1942 -2.1942 -2.0293 -2.0293 -1.9263 -1.9263 -1.4362 -1.4362 -1.3041 -1.3041 -1.2336 -1.2336 -1.1615 -1.1615 -1.0333 -1.0333 -0.9840 -0.9840 k = 0.0000 0.5156 0.1782 ( 9376 PWs) bands (ev): -12.2096 -12.2096 -12.1744 -12.1744 -10.5277 -10.5277 -10.0266 -10.0266 -9.6490 -9.6490 -9.6325 -9.6325 -9.5886 -9.5886 -9.5401 -9.5401 -4.0863 -4.0863 -3.8194 -3.8194 -3.6728 -3.6728 -3.0373 -3.0373 -2.6648 -2.6648 -2.3433 -2.3433 -2.2687 -2.2687 -2.2216 -2.2216 -2.0019 -2.0019 -1.9576 -1.9576 -1.4354 -1.4354 -1.3230 -1.3230 -1.2006 -1.2006 -1.1633 -1.1633 -1.0202 -1.0202 -0.9943 -0.9943 k = 0.0000 0.5156 0.2005 ( 9380 PWs) bands (ev): -12.2063 -12.2063 -12.1719 -12.1719 -10.5187 -10.5187 -10.0262 -10.0262 -9.6572 -9.6572 -9.6351 -9.6351 -9.5882 -9.5882 -9.5496 -9.5496 -4.0862 -4.0862 -3.8227 -3.8227 -3.6783 -3.6783 -3.0374 -3.0374 -2.6721 -2.6721 -2.3388 -2.3388 -2.3016 -2.3016 -2.2426 -2.2426 -1.9898 -1.9898 -1.9743 -1.9743 -1.4309 -1.4309 -1.3399 -1.3399 -1.1713 -1.1713 -1.1637 -1.1637 -1.0072 -1.0072 -1.0043 -1.0043 k = 0.0000 0.5156 0.2228 ( 9372 PWs) bands (ev): -12.2028 -12.2028 -12.1692 -12.1692 -10.5088 -10.5088 -10.0257 -10.0257 -9.6662 -9.6662 -9.6388 -9.6388 -9.5877 -9.5877 -9.5591 -9.5591 -4.0855 -4.0855 -3.8262 -3.8262 -3.6843 -3.6843 -3.0389 -3.0389 -2.6794 -2.6794 -2.3512 -2.3512 -2.3198 -2.3198 -2.2612 -2.2612 -2.0175 -2.0175 -1.9529 -1.9529 -1.4227 -1.4227 -1.3541 -1.3541 -1.1637 -1.1637 -1.1445 -1.1445 -1.0215 -1.0215 -0.9869 -0.9869 k = 0.0000 0.5156 0.2450 ( 9372 PWs) bands (ev): -12.1989 -12.1989 -12.1663 -12.1663 -10.4978 -10.4978 -10.0251 -10.0251 -9.6759 -9.6759 -9.6444 -9.6444 -9.5872 -9.5872 -9.5680 -9.5680 -4.0841 -4.0841 -3.8296 -3.8296 -3.6909 -3.6909 -3.0422 -3.0422 -2.6869 -2.6869 -2.3868 -2.3868 -2.3157 -2.3157 -2.2775 -2.2775 -2.0443 -2.0443 -1.9347 -1.9347 -1.4106 -1.4106 -1.3649 -1.3649 -1.1609 -1.1609 -1.1216 -1.1216 -1.0368 -1.0368 -0.9699 -0.9699 k = 0.0000 0.5156 0.2673 ( 9358 PWs) bands (ev): -12.1949 -12.1949 -12.1632 -12.1632 -10.4859 -10.4859 -10.0245 -10.0245 -9.6862 -9.6862 -9.6522 -9.6522 -9.5867 -9.5867 -9.5756 -9.5756 -4.0821 -4.0821 -3.8328 -3.8328 -3.6981 -3.6981 -3.0479 -3.0479 -2.6943 -2.6943 -2.4237 -2.4237 -2.3189 -2.3189 -2.2835 -2.2835 -2.0689 -2.0689 -1.9214 -1.9214 -1.3947 -1.3947 -1.3720 -1.3720 -1.1563 -1.1563 -1.1010 -1.1010 -1.0516 -1.0516 -0.9570 -0.9570 k = 0.0000 0.5156 0.2896 ( 9354 PWs) bands (ev): -12.1907 -12.1907 -12.1601 -12.1601 -10.4731 -10.4731 -10.0238 -10.0238 -9.6971 -9.6971 -9.6626 -9.6626 -9.5862 -9.5862 -9.5816 -9.5816 -4.0794 -4.0794 -3.8356 -3.8356 -3.7059 -3.7059 -3.0564 -3.0564 -2.7016 -2.7016 -2.4587 -2.4587 -2.3362 -2.3362 -2.2753 -2.2753 -2.0910 -2.0910 -1.9134 -1.9134 -1.3772 -1.3772 -1.3737 -1.3737 -1.1500 -1.1500 -1.0821 -1.0821 -1.0645 -1.0645 -0.9520 -0.9520 k = 0.0000 0.5156 0.3119 ( 9352 PWs) bands (ev): -12.1863 -12.1863 -12.1569 -12.1569 -10.4593 -10.4593 -10.0231 -10.0231 -9.7085 -9.7085 -9.6756 -9.6756 -9.5860 -9.5860 -9.5856 -9.5856 -4.0760 -4.0760 -3.8377 -3.8377 -3.7143 -3.7143 -3.0681 -3.0681 -2.7089 -2.7089 -2.4905 -2.4905 -2.3584 -2.3584 -2.2627 -2.2627 -2.1102 -2.1102 -1.9102 -1.9102 -1.3774 -1.3774 -1.3520 -1.3520 -1.1434 -1.1434 -1.0726 -1.0726 -1.0641 -1.0641 -0.9554 -0.9554 k = 0.0000 0.5156 0.3341 ( 9352 PWs) bands (ev): -12.1818 -12.1818 -12.1536 -12.1536 -10.4447 -10.4447 -10.0223 -10.0223 -9.7203 -9.7203 -9.6907 -9.6907 -9.5889 -9.5889 -9.5851 -9.5851 -4.0719 -4.0719 -3.8388 -3.8388 -3.7234 -3.7234 -3.0834 -3.0834 -2.7159 -2.7159 -2.5188 -2.5188 -2.3824 -2.3824 -2.2498 -2.2498 -2.1262 -2.1262 -1.9108 -1.9108 -1.3776 -1.3776 -1.3262 -1.3262 -1.1390 -1.1390 -1.0720 -1.0720 -1.0467 -1.0467 -0.9647 -0.9647 k = 0.0000 0.5156 0.3564 ( 9350 PWs) bands (ev): -12.1772 -12.1772 -12.1504 -12.1504 -10.4291 -10.4291 -10.0215 -10.0215 -9.7324 -9.7324 -9.7077 -9.7077 -9.5907 -9.5907 -9.5845 -9.5845 -4.0671 -4.0671 -3.8387 -3.8387 -3.7332 -3.7332 -3.1023 -3.1023 -2.7227 -2.7227 -2.5431 -2.5431 -2.4070 -2.4070 -2.2387 -2.2387 -2.1387 -2.1387 -1.9135 -1.9135 -1.3787 -1.3787 -1.2977 -1.2977 -1.1377 -1.1377 -1.0605 -1.0605 -1.0300 -1.0300 -0.9769 -0.9769 k = 0.0000 0.5156 0.3787 ( 9344 PWs) bands (ev): -12.1726 -12.1726 -12.1471 -12.1471 -10.4127 -10.4127 -10.0207 -10.0207 -9.7448 -9.7448 -9.7259 -9.7259 -9.5917 -9.5917 -9.5840 -9.5840 -4.0617 -4.0617 -3.8370 -3.8370 -3.7437 -3.7437 -3.1249 -3.1249 -2.7290 -2.7290 -2.5636 -2.5636 -2.4316 -2.4316 -2.2308 -2.2308 -2.1476 -2.1476 -1.9165 -1.9165 -1.3820 -1.3820 -1.2672 -1.2672 -1.1368 -1.1368 -1.0399 -1.0399 -1.0165 -1.0165 -0.9876 -0.9876 k = 0.0000 0.5156 0.4010 ( 9350 PWs) bands (ev): -12.1680 -12.1680 -12.1440 -12.1440 -10.3956 -10.3956 -10.0200 -10.0200 -9.7572 -9.7572 -9.7451 -9.7451 -9.5921 -9.5921 -9.5836 -9.5836 -4.0558 -4.0558 -3.8336 -3.8336 -3.7549 -3.7549 -3.1507 -3.1507 -2.7349 -2.7349 -2.5803 -2.5803 -2.4557 -2.4557 -2.2274 -2.2274 -2.1531 -2.1531 -1.9180 -1.9180 -1.3884 -1.3884 -1.2350 -1.2350 -1.1333 -1.1333 -1.0212 -1.0212 -1.0112 -1.0112 -0.9830 -0.9830 k = 0.0000 0.5156 0.4232 ( 9350 PWs) bands (ev): -12.1634 -12.1634 -12.1410 -12.1410 -10.3776 -10.3776 -10.0194 -10.0194 -9.7697 -9.7697 -9.7649 -9.7649 -9.5921 -9.5921 -9.5831 -9.5831 -4.0495 -4.0495 -3.8282 -3.8282 -3.7668 -3.7668 -3.1795 -3.1795 -2.7401 -2.7401 -2.5939 -2.5939 -2.4788 -2.4788 -2.2292 -2.2292 -2.1553 -2.1553 -1.9167 -1.9167 -1.3976 -1.3976 -1.2020 -1.2020 -1.1261 -1.1261 -1.0355 -1.0355 -0.9808 -0.9808 -0.9661 -0.9661 k = 0.0000 0.5156 0.4455 ( 9350 PWs) bands (ev): -12.1589 -12.1589 -12.1381 -12.1381 -10.3589 -10.3589 -10.0191 -10.0191 -9.7850 -9.7850 -9.7822 -9.7822 -9.5919 -9.5919 -9.5828 -9.5828 -4.0427 -4.0427 -3.8206 -3.8206 -3.7793 -3.7793 -3.2107 -3.2107 -2.7447 -2.7447 -2.6048 -2.6048 -2.5004 -2.5004 -2.2367 -2.2367 -2.1544 -2.1544 -1.9123 -1.9123 -1.4086 -1.4086 -1.1692 -1.1692 -1.1150 -1.1150 -1.0530 -1.0530 -0.9487 -0.9487 -0.9438 -0.9438 k = 0.0000 0.5156 0.4678 ( 9358 PWs) bands (ev): -12.1546 -12.1546 -12.1354 -12.1354 -10.3396 -10.3396 -10.0192 -10.0192 -9.8049 -9.8049 -9.7946 -9.7946 -9.5914 -9.5914 -9.5825 -9.5825 -4.0356 -4.0356 -3.8108 -3.8108 -3.7925 -3.7925 -3.2438 -3.2438 -2.7484 -2.7484 -2.6139 -2.6139 -2.5197 -2.5197 -2.2494 -2.2494 -2.1502 -2.1502 -1.9057 -1.9057 -1.4202 -1.4202 -1.1402 -1.1402 -1.1002 -1.1002 -1.0679 -1.0679 -0.9260 -0.9260 -0.9085 -0.9085 k = 0.0000 0.5156 0.4901 ( 9354 PWs) bands (ev): -12.1504 -12.1504 -12.1330 -12.1330 -10.3196 -10.3196 -10.0201 -10.0201 -9.8243 -9.8243 -9.8067 -9.8067 -9.5908 -9.5908 -9.5823 -9.5823 -4.0280 -4.0280 -3.8063 -3.8063 -3.7984 -3.7984 -3.2782 -3.2782 -2.7513 -2.7513 -2.6223 -2.6223 -2.5357 -2.5357 -2.2667 -2.2667 -2.1425 -2.1425 -1.8984 -1.8984 -1.4306 -1.4306 -1.1276 -1.1276 -1.0825 -1.0825 -1.0676 -1.0676 -0.9033 -0.9033 -0.8706 -0.8706 k = 0.0000 0.5156 0.5124 ( 9350 PWs) bands (ev): -12.1464 -12.1464 -12.1308 -12.1308 -10.2990 -10.2990 -10.0222 -10.0222 -9.8425 -9.8425 -9.8185 -9.8185 -9.5901 -9.5901 -9.5821 -9.5821 -4.0200 -4.0200 -3.8204 -3.8204 -3.7839 -3.7839 -3.3136 -3.3136 -2.7532 -2.7532 -2.6311 -2.6311 -2.5471 -2.5471 -2.2875 -2.2875 -2.1317 -2.1317 -1.8921 -1.8921 -1.4384 -1.4384 -1.1392 -1.1392 -1.0622 -1.0622 -1.0445 -1.0445 -0.8794 -0.8794 -0.8324 -0.8324 k = 0.0000 0.5156 0.5346 ( 9350 PWs) bands (ev): -12.1427 -12.1427 -12.1289 -12.1289 -10.2779 -10.2779 -10.0259 -10.0259 -9.8590 -9.8590 -9.8300 -9.8300 -9.5893 -9.5893 -9.5820 -9.5820 -4.0116 -4.0116 -3.8349 -3.8349 -3.7669 -3.7669 -3.3494 -3.3494 -2.7539 -2.7539 -2.6415 -2.6415 -2.5531 -2.5531 -2.3106 -2.3106 -2.1180 -2.1180 -1.8885 -1.8885 -1.4422 -1.4422 -1.1601 -1.1601 -1.0398 -1.0398 -1.0140 -1.0140 -0.8543 -0.8543 -0.7949 -0.7949 k = 0.0000 0.5156 0.5569 ( 9362 PWs) bands (ev): -12.1393 -12.1393 -12.1274 -12.1274 -10.2564 -10.2564 -10.0319 -10.0319 -9.8730 -9.8730 -9.8410 -9.8410 -9.5885 -9.5885 -9.5820 -9.5820 -4.0027 -4.0027 -3.8496 -3.8496 -3.7476 -3.7476 -3.3855 -3.3855 -2.7536 -2.7536 -2.6535 -2.6535 -2.5535 -2.5535 -2.3352 -2.3352 -2.1018 -2.1018 -1.8889 -1.8889 -1.4411 -1.4411 -1.1840 -1.1840 -1.0157 -1.0157 -0.9830 -0.9830 -0.8281 -0.8281 -0.7590 -0.7590 k = 0.0000 0.5156 0.5792 ( 9356 PWs) bands (ev): -12.1361 -12.1361 -12.1262 -12.1262 -10.2345 -10.2345 -10.0407 -10.0407 -9.8838 -9.8838 -9.8513 -9.8513 -9.5877 -9.5877 -9.5822 -9.5822 -3.9931 -3.9931 -3.8645 -3.8645 -3.7261 -3.7261 -3.4213 -3.4213 -2.7520 -2.7520 -2.6664 -2.6664 -2.5491 -2.5491 -2.3603 -2.3603 -2.0836 -2.0836 -1.8940 -1.8940 -1.4346 -1.4346 -1.2093 -1.2093 -0.9902 -0.9902 -0.9533 -0.9533 -0.8015 -0.8015 -0.7262 -0.7262 k = 0.0000 0.5156 0.6015 ( 9342 PWs) bands (ev): -12.1333 -12.1333 -12.1253 -12.1253 -10.2124 -10.2124 -10.0527 -10.0527 -9.8911 -9.8911 -9.8610 -9.8610 -9.5868 -9.5868 -9.5823 -9.5823 -3.9829 -3.9829 -3.8793 -3.8793 -3.7025 -3.7025 -3.4568 -3.4568 -2.7491 -2.7491 -2.6795 -2.6795 -2.5406 -2.5406 -2.3855 -2.3855 -2.0636 -2.0636 -1.9037 -1.9037 -1.4230 -1.4230 -1.2353 -1.2353 -0.9641 -0.9641 -0.9261 -0.9261 -0.7760 -0.7760 -0.7015 -0.7015 k = 0.0000 0.5156 0.6237 ( 9350 PWs) bands (ev): -12.1309 -12.1309 -12.1249 -12.1249 -10.1902 -10.1902 -10.0675 -10.0675 -9.8950 -9.8950 -9.8699 -9.8699 -9.5861 -9.5861 -9.5826 -9.5826 -3.9721 -3.9721 -3.8939 -3.8939 -3.6771 -3.6771 -3.4916 -3.4916 -2.7450 -2.7450 -2.6922 -2.6922 -2.5289 -2.5289 -2.4103 -2.4103 -2.0423 -2.0423 -1.9175 -1.9175 -1.4070 -1.4070 -1.2618 -1.2618 -0.9380 -0.9380 -0.9026 -0.9026 -0.7555 -0.7555 -0.7035 -0.7035 k = 0.0000 0.5156 0.6460 ( 9352 PWs) bands (ev): -12.1289 -12.1289 -12.1249 -12.1249 -10.1680 -10.1680 -10.0849 -10.0849 -9.8958 -9.8958 -9.8779 -9.8779 -9.5853 -9.5853 -9.5830 -9.5830 -3.9606 -3.9606 -3.9082 -3.9082 -3.6498 -3.6498 -3.5256 -3.5256 -2.7394 -2.7394 -2.7040 -2.7040 -2.5142 -2.5142 -2.4341 -2.4341 -2.0202 -2.0202 -1.9347 -1.9347 -1.3872 -1.3872 -1.2884 -1.2884 -0.9132 -0.9132 -0.8846 -0.8846 -0.7459 -0.7459 -0.7187 -0.7187 k = 0.0000 0.5156 0.6683 ( 9352 PWs) bands (ev): -12.1273 -12.1273 -12.1252 -12.1252 -10.1461 -10.1461 -10.1041 -10.1041 -9.8940 -9.8940 -9.8847 -9.8847 -9.5846 -9.5846 -9.5835 -9.5835 -3.9484 -3.9484 -3.9221 -3.9221 -3.6209 -3.6209 -3.5586 -3.5586 -2.7326 -2.7326 -2.7148 -2.7148 -2.4971 -2.4971 -2.4568 -2.4568 -1.9978 -1.9978 -1.9544 -1.9544 -1.3648 -1.3648 -1.3148 -1.3148 -0.8920 -0.8920 -0.8753 -0.8753 -0.7453 -0.7453 -0.7330 -0.7330 k = 0.0000 0.5156 0.6906 ( 9340 PWs) bands (ev): -12.1260 -12.1260 -12.1260 -12.1260 -10.1246 -10.1246 -10.1246 -10.1246 -9.8902 -9.8902 -9.8902 -9.8902 -9.5840 -9.5840 -9.5840 -9.5840 -3.9356 -3.9356 -3.9356 -3.9356 -3.5904 -3.5904 -3.5904 -3.5904 -2.7243 -2.7243 -2.7243 -2.7243 -2.4779 -2.4779 -2.4779 -2.4779 -1.9757 -1.9757 -1.9757 -1.9757 -1.3404 -1.3404 -1.3404 -1.3404 -0.8780 -0.8780 -0.8780 -0.8780 -0.7426 -0.7426 -0.7426 -0.7426 k = 0.0000 0.5156 0.6906 ( 9340 PWs) bands (ev): -12.1260 -12.1260 -12.1260 -12.1260 -10.1246 -10.1246 -10.1246 -10.1246 -9.8902 -9.8902 -9.8902 -9.8902 -9.5840 -9.5840 -9.5840 -9.5840 -3.9356 -3.9356 -3.9356 -3.9356 -3.5904 -3.5904 -3.5904 -3.5904 -2.7243 -2.7243 -2.7243 -2.7243 -2.4779 -2.4779 -2.4779 -2.4779 -1.9757 -1.9757 -1.9757 -1.9757 -1.3404 -1.3404 -1.3404 -1.3404 -0.8780 -0.8780 -0.8780 -0.8780 -0.7426 -0.7426 -0.7426 -0.7426 k = 0.0223 0.5156 0.6906 ( 9348 PWs) bands (ev): -12.1260 -12.1260 -12.1260 -12.1260 -10.1243 -10.1243 -10.1243 -10.1243 -9.8904 -9.8904 -9.8904 -9.8904 -9.5844 -9.5844 -9.5844 -9.5844 -3.9345 -3.9345 -3.9345 -3.9345 -3.5908 -3.5908 -3.5907 -3.5907 -2.7230 -2.7230 -2.7223 -2.7223 -2.4784 -2.4784 -2.4777 -2.4777 -1.9763 -1.9763 -1.9760 -1.9760 -1.3412 -1.3412 -1.3404 -1.3404 -0.8838 -0.8838 -0.8828 -0.8828 -0.7390 -0.7390 -0.7382 -0.7382 k = 0.0447 0.5156 0.6906 ( 9352 PWs) bands (ev): -12.1259 -12.1259 -12.1259 -12.1259 -10.1232 -10.1232 -10.1232 -10.1232 -9.8909 -9.8909 -9.8909 -9.8909 -9.5857 -9.5857 -9.5857 -9.5857 -3.9312 -3.9312 -3.9312 -3.9312 -3.5918 -3.5918 -3.5916 -3.5916 -2.7185 -2.7185 -2.7170 -2.7170 -2.4793 -2.4793 -2.4778 -2.4778 -1.9778 -1.9778 -1.9773 -1.9773 -1.3427 -1.3427 -1.3411 -1.3411 -0.8982 -0.8982 -0.8966 -0.8966 -0.7291 -0.7291 -0.7279 -0.7279 k = 0.0670 0.5156 0.6906 ( 9352 PWs) bands (ev): -12.1258 -12.1258 -12.1258 -12.1258 -10.1214 -10.1214 -10.1214 -10.1214 -9.8917 -9.8917 -9.8917 -9.8917 -9.5877 -9.5877 -9.5877 -9.5877 -3.9257 -3.9257 -3.9257 -3.9257 -3.5935 -3.5935 -3.5932 -3.5932 -2.7108 -2.7108 -2.7085 -2.7085 -2.4804 -2.4804 -2.4781 -2.4781 -1.9802 -1.9802 -1.9794 -1.9794 -1.3454 -1.3454 -1.3430 -1.3430 -0.9174 -0.9174 -0.9156 -0.9156 -0.7170 -0.7170 -0.7160 -0.7160 k = 0.0893 0.5156 0.6906 ( 9346 PWs) bands (ev): -12.1256 -12.1256 -12.1256 -12.1256 -10.1188 -10.1188 -10.1188 -10.1188 -9.8928 -9.8928 -9.8928 -9.8928 -9.5905 -9.5905 -9.5905 -9.5905 -3.9183 -3.9183 -3.9183 -3.9183 -3.5956 -3.5956 -3.5953 -3.5953 -2.7001 -2.7001 -2.6971 -2.6971 -2.4817 -2.4817 -2.4786 -2.4786 -1.9833 -1.9833 -1.9823 -1.9823 -1.3495 -1.3495 -1.3463 -1.3463 -0.9385 -0.9385 -0.9368 -0.9368 -0.7068 -0.7068 -0.7065 -0.7065 k = 0.1117 0.5156 0.6906 ( 9346 PWs) bands (ev): -12.1254 -12.1254 -12.1254 -12.1254 -10.1157 -10.1157 -10.1157 -10.1157 -9.8942 -9.8942 -9.8941 -9.8941 -9.5940 -9.5940 -9.5940 -9.5940 -3.9089 -3.9089 -3.9089 -3.9089 -3.5981 -3.5981 -3.5978 -3.5978 -2.6870 -2.6870 -2.6832 -2.6832 -2.4830 -2.4830 -2.4789 -2.4789 -1.9870 -1.9870 -1.9858 -1.9858 -1.3557 -1.3557 -1.3517 -1.3517 -0.9596 -0.9596 -0.9581 -0.9581 -0.7038 -0.7038 -0.7037 -0.7037 k = 0.1340 0.5156 0.6906 ( 9344 PWs) bands (ev): -12.1252 -12.1252 -12.1252 -12.1252 -10.1119 -10.1119 -10.1119 -10.1119 -9.8957 -9.8957 -9.8957 -9.8957 -9.5983 -9.5983 -9.5983 -9.5983 -3.8979 -3.8979 -3.8978 -3.8978 -3.6009 -3.6009 -3.6006 -3.6006 -2.6718 -2.6718 -2.6671 -2.6671 -2.4839 -2.4839 -2.4789 -2.4789 -1.9911 -1.9911 -1.9899 -1.9899 -1.3645 -1.3645 -1.3598 -1.3598 -0.9792 -0.9792 -0.9781 -0.9781 -0.7111 -0.7111 -0.7107 -0.7107 k = 0.1563 0.5156 0.6906 ( 9358 PWs) bands (ev): -12.1249 -12.1249 -12.1249 -12.1249 -10.1076 -10.1076 -10.1075 -10.1075 -9.8974 -9.8974 -9.8974 -9.8974 -9.6032 -9.6032 -9.6032 -9.6032 -3.8853 -3.8853 -3.8852 -3.8852 -3.6038 -3.6038 -3.6035 -3.6035 -2.6552 -2.6552 -2.6497 -2.6497 -2.4841 -2.4841 -2.4780 -2.4780 -1.9956 -1.9956 -1.9943 -1.9943 -1.3764 -1.3764 -1.3710 -1.3710 -0.9964 -0.9964 -0.9957 -0.9957 -0.7262 -0.7262 -0.7253 -0.7253 k = 0.1787 0.5156 0.6906 ( 9364 PWs) bands (ev): -12.1246 -12.1246 -12.1246 -12.1246 -10.1027 -10.1027 -10.1027 -10.1027 -9.8992 -9.8992 -9.8992 -9.8992 -9.6088 -9.6088 -9.6087 -9.6087 -3.8717 -3.8717 -3.8715 -3.8715 -3.6066 -3.6066 -3.6063 -3.6063 -2.6382 -2.6382 -2.6319 -2.6319 -2.4827 -2.4827 -2.4755 -2.4755 -2.0001 -2.0001 -1.9989 -1.9989 -1.3917 -1.3917 -1.3858 -1.3858 -1.0106 -1.0106 -1.0104 -1.0104 -0.7456 -0.7456 -0.7444 -0.7444 k = 0.2010 0.5156 0.6906 ( 9364 PWs) bands (ev): -12.1242 -12.1242 -12.1242 -12.1242 -10.0976 -10.0976 -10.0976 -10.0976 -9.9010 -9.9010 -9.9010 -9.9010 -9.6148 -9.6148 -9.6148 -9.6148 -3.8572 -3.8572 -3.8570 -3.8570 -3.6090 -3.6090 -3.6088 -3.6088 -2.6221 -2.6221 -2.6151 -2.6151 -2.4786 -2.4786 -2.4706 -2.4706 -2.0045 -2.0045 -2.0034 -2.0034 -1.4105 -1.4105 -1.4042 -1.4042 -1.0217 -1.0217 -1.0216 -1.0216 -0.7676 -0.7676 -0.7666 -0.7666 k = 0.2233 0.5156 0.6906 ( 9358 PWs) bands (ev): -12.1239 -12.1239 -12.1239 -12.1239 -10.0922 -10.0922 -10.0921 -10.0921 -9.9027 -9.9027 -9.9026 -9.9026 -9.6214 -9.6214 -9.6214 -9.6214 -3.8425 -3.8425 -3.8422 -3.8422 -3.6107 -3.6107 -3.6107 -3.6107 -2.6081 -2.6081 -2.6010 -2.6010 -2.4706 -2.4706 -2.4620 -2.4620 -2.0085 -2.0085 -2.0076 -2.0076 -1.4325 -1.4325 -1.4260 -1.4260 -1.0300 -1.0300 -1.0295 -1.0295 -0.7915 -0.7915 -0.7907 -0.7907 k = 0.2457 0.5156 0.6906 ( 9354 PWs) bands (ev): -12.1235 -12.1235 -12.1235 -12.1235 -10.0866 -10.0866 -10.0866 -10.0866 -9.9040 -9.9040 -9.9040 -9.9040 -9.6284 -9.6284 -9.6284 -9.6284 -3.8280 -3.8280 -3.8276 -3.8276 -3.6116 -3.6116 -3.6115 -3.6115 -2.5976 -2.5976 -2.5908 -2.5908 -2.4577 -2.4577 -2.4492 -2.4492 -2.0118 -2.0118 -2.0112 -2.0112 -1.4573 -1.4573 -1.4508 -1.4508 -1.0357 -1.0357 -1.0348 -1.0348 -0.8166 -0.8166 -0.8162 -0.8162 k = 0.2680 0.5156 0.6906 ( 9350 PWs) bands (ev): -12.1232 -12.1232 -12.1232 -12.1232 -10.0812 -10.0812 -10.0812 -10.0812 -9.9049 -9.9049 -9.9049 -9.9049 -9.6357 -9.6357 -9.6357 -9.6357 -3.8144 -3.8144 -3.8139 -3.8139 -3.6112 -3.6112 -3.6109 -3.6109 -2.5908 -2.5908 -2.5850 -2.5850 -2.4401 -2.4401 -2.4321 -2.4321 -2.0139 -2.0139 -2.0138 -2.0138 -1.4843 -1.4843 -1.4778 -1.4778 -1.0395 -1.0395 -1.0382 -1.0382 -0.8422 -0.8422 -0.8421 -0.8421 k = 0.2903 0.5156 0.6906 ( 9356 PWs) bands (ev): -12.1228 -12.1228 -12.1228 -12.1228 -10.0761 -10.0761 -10.0761 -10.0761 -9.9052 -9.9052 -9.9052 -9.9052 -9.6433 -9.6433 -9.6433 -9.6433 -3.8024 -3.8024 -3.8018 -3.8018 -3.6091 -3.6091 -3.6086 -3.6086 -2.5872 -2.5872 -2.5826 -2.5826 -2.4191 -2.4191 -2.4117 -2.4117 -2.0149 -2.0149 -2.0146 -2.0146 -1.5128 -1.5128 -1.5066 -1.5066 -1.0421 -1.0421 -1.0404 -1.0404 -0.8681 -0.8681 -0.8673 -0.8673 k = 0.3127 0.5156 0.6906 ( 9346 PWs) bands (ev): -12.1225 -12.1225 -12.1225 -12.1225 -10.0715 -10.0715 -10.0715 -10.0715 -9.9046 -9.9046 -9.9046 -9.9046 -9.6511 -9.6511 -9.6511 -9.6511 -3.7926 -3.7926 -3.7919 -3.7919 -3.6051 -3.6051 -3.6044 -3.6044 -2.5861 -2.5861 -2.5826 -2.5826 -2.3964 -2.3964 -2.3897 -2.3897 -2.0140 -2.0140 -2.0131 -2.0131 -1.5423 -1.5423 -1.5364 -1.5364 -1.0442 -1.0442 -1.0421 -1.0421 -0.8929 -0.8929 -0.8915 -0.8915 k = 0.3350 0.5156 0.6906 ( 9338 PWs) bands (ev): -12.1222 -12.1222 -12.1222 -12.1222 -10.0676 -10.0676 -10.0676 -10.0676 -9.9029 -9.9029 -9.9029 -9.9029 -9.6591 -9.6591 -9.6591 -9.6591 -3.7854 -3.7854 -3.7846 -3.7846 -3.5990 -3.5990 -3.5981 -3.5981 -2.5863 -2.5863 -2.5839 -2.5839 -2.3738 -2.3738 -2.3676 -2.3676 -2.0106 -2.0106 -2.0090 -2.0090 -1.5722 -1.5722 -1.5668 -1.5668 -1.0467 -1.0467 -1.0441 -1.0441 -0.9157 -0.9157 -0.9136 -0.9136 k = 0.3573 0.5156 0.6906 ( 9336 PWs) bands (ev): -12.1220 -12.1220 -12.1220 -12.1220 -10.0648 -10.0648 -10.0648 -10.0648 -9.9000 -9.9000 -9.8999 -9.8999 -9.6671 -9.6671 -9.6670 -9.6670 -3.7810 -3.7810 -3.7802 -3.7802 -3.5911 -3.5911 -3.5902 -3.5902 -2.5873 -2.5873 -2.5856 -2.5856 -2.3527 -2.3527 -2.3467 -2.3467 -2.0043 -2.0043 -2.0019 -2.0019 -1.6021 -1.6021 -1.5973 -1.5973 -1.0502 -1.0502 -1.0471 -1.0471 -0.9356 -0.9356 -0.9328 -0.9328 k = 0.3797 0.5156 0.6906 ( 9332 PWs) bands (ev): -12.1217 -12.1217 -12.1217 -12.1217 -10.0631 -10.0631 -10.0631 -10.0631 -9.8956 -9.8956 -9.8955 -9.8955 -9.6750 -9.6750 -9.6750 -9.6750 -3.7793 -3.7793 -3.7786 -3.7786 -3.5820 -3.5820 -3.5810 -3.5810 -2.5883 -2.5883 -2.5871 -2.5871 -2.3341 -2.3341 -2.3282 -2.3282 -1.9950 -1.9950 -1.9917 -1.9917 -1.6312 -1.6312 -1.6270 -1.6270 -1.0551 -1.0551 -1.0517 -1.0517 -0.9516 -0.9516 -0.9483 -0.9483 k = 0.4020 0.5156 0.6906 ( 9324 PWs) bands (ev): -12.1216 -12.1216 -12.1216 -12.1216 -10.0627 -10.0627 -10.0626 -10.0626 -9.8897 -9.8897 -9.8896 -9.8896 -9.6829 -9.6829 -9.6829 -9.6829 -3.7801 -3.7801 -3.7794 -3.7794 -3.5724 -3.5724 -3.5715 -3.5715 -2.5888 -2.5888 -2.5880 -2.5880 -2.3186 -2.3186 -2.3127 -2.3127 -1.9833 -1.9833 -1.9792 -1.9792 -1.6586 -1.6586 -1.6552 -1.6552 -1.0615 -1.0615 -1.0580 -1.0580 -0.9632 -0.9632 -0.9597 -0.9597 k = 0.4020 0.5156 0.6906 ( 9324 PWs) bands (ev): -12.1216 -12.1216 -12.1216 -12.1216 -10.0627 -10.0627 -10.0626 -10.0626 -9.8897 -9.8897 -9.8896 -9.8896 -9.6829 -9.6829 -9.6829 -9.6829 -3.7801 -3.7801 -3.7794 -3.7794 -3.5724 -3.5724 -3.5715 -3.5715 -2.5888 -2.5888 -2.5880 -2.5880 -2.3186 -2.3186 -2.3127 -2.3127 -1.9833 -1.9833 -1.9792 -1.9792 -1.6586 -1.6586 -1.6552 -1.6552 -1.0615 -1.0615 -1.0580 -1.0580 -0.9632 -0.9632 -0.9597 -0.9597 k = 0.3881 0.4978 0.6906 ( 9336 PWs) bands (ev): -12.1218 -12.1218 -12.1218 -12.1218 -10.0627 -10.0627 -10.0627 -10.0627 -9.8999 -9.8999 -9.8998 -9.8998 -9.6703 -9.6703 -9.6703 -9.6703 -3.7770 -3.7770 -3.7762 -3.7762 -3.5890 -3.5890 -3.5880 -3.5880 -2.5886 -2.5886 -2.5872 -2.5872 -2.3407 -2.3407 -2.3349 -2.3349 -2.0046 -2.0046 -2.0019 -2.0019 -1.6147 -1.6147 -1.6101 -1.6101 -1.0499 -1.0499 -1.0463 -1.0463 -0.9468 -0.9468 -0.9433 -0.9433 k = 0.3743 0.4800 0.6906 ( 9348 PWs) bands (ev): -12.1221 -12.1221 -12.1221 -12.1221 -10.0635 -10.0635 -10.0635 -10.0635 -9.9085 -9.9085 -9.9085 -9.9085 -9.6583 -9.6583 -9.6582 -9.6582 -3.7739 -3.7739 -3.7729 -3.7729 -3.6071 -3.6071 -3.6060 -3.6060 -2.5887 -2.5887 -2.5865 -2.5865 -2.3609 -2.3609 -2.3550 -2.3550 -2.0277 -2.0277 -2.0262 -2.0262 -1.5687 -1.5687 -1.5631 -1.5631 -1.0381 -1.0381 -1.0345 -1.0345 -0.9286 -0.9286 -0.9254 -0.9254 k = 0.3604 0.4622 0.6906 ( 9336 PWs) bands (ev): -12.1225 -12.1225 -12.1225 -12.1225 -10.0654 -10.0654 -10.0654 -10.0654 -9.9152 -9.9152 -9.9152 -9.9152 -9.6468 -9.6468 -9.6467 -9.6467 -3.7711 -3.7711 -3.7699 -3.7699 -3.6263 -3.6263 -3.6252 -3.6252 -2.5893 -2.5893 -2.5861 -2.5861 -2.3785 -2.3785 -2.3725 -2.3725 -2.0520 -2.0520 -2.0517 -2.0517 -1.5211 -1.5211 -1.5149 -1.5149 -1.0261 -1.0261 -1.0226 -1.0226 -0.9091 -0.9091 -0.9061 -0.9061 k = 0.3465 0.4444 0.6906 ( 9336 PWs) bands (ev): -12.1228 -12.1228 -12.1228 -12.1228 -10.0685 -10.0685 -10.0685 -10.0685 -9.9198 -9.9198 -9.9198 -9.9198 -9.6359 -9.6359 -9.6359 -9.6359 -3.7689 -3.7689 -3.7675 -3.7675 -3.6463 -3.6463 -3.6452 -3.6452 -2.5907 -2.5907 -2.5863 -2.5863 -2.3929 -2.3929 -2.3867 -2.3867 -2.0777 -2.0777 -2.0769 -2.0769 -1.4725 -1.4725 -1.4656 -1.4656 -1.0139 -1.0139 -1.0105 -1.0105 -0.8888 -0.8888 -0.8860 -0.8860 k = 0.3327 0.4267 0.6906 ( 9332 PWs) bands (ev): -12.1232 -12.1232 -12.1232 -12.1232 -10.0731 -10.0731 -10.0731 -10.0731 -9.9222 -9.9222 -9.9221 -9.9221 -9.6258 -9.6258 -9.6258 -9.6258 -3.7679 -3.7679 -3.7663 -3.7663 -3.6663 -3.6663 -3.6651 -3.6651 -2.5933 -2.5933 -2.5875 -2.5875 -2.4039 -2.4039 -2.3974 -2.3974 -2.1039 -2.1039 -2.1020 -2.1020 -1.4230 -1.4230 -1.4156 -1.4156 -1.0016 -1.0016 -0.9982 -0.9982 -0.8683 -0.8683 -0.8657 -0.8657 k = 0.3188 0.4089 0.6906 ( 9336 PWs) bands (ev): -12.1237 -12.1237 -12.1237 -12.1237 -10.0789 -10.0789 -10.0789 -10.0789 -9.9223 -9.9223 -9.9222 -9.9222 -9.6164 -9.6164 -9.6164 -9.6164 -3.7693 -3.7693 -3.7675 -3.7675 -3.6849 -3.6849 -3.6838 -3.6838 -2.5970 -2.5970 -2.5897 -2.5897 -2.4113 -2.4113 -2.4045 -2.4045 -2.1297 -2.1297 -2.1266 -2.1266 -1.3730 -1.3730 -1.3651 -1.3651 -0.9890 -0.9890 -0.9857 -0.9857 -0.8482 -0.8482 -0.8457 -0.8457 k = 0.3050 0.3911 0.6906 ( 9332 PWs) bands (ev): -12.1241 -12.1241 -12.1241 -12.1241 -10.0859 -10.0859 -10.0859 -10.0859 -9.9203 -9.9203 -9.9203 -9.9203 -9.6078 -9.6078 -9.6078 -9.6078 -3.7747 -3.7747 -3.7730 -3.7730 -3.7004 -3.7004 -3.6995 -3.6995 -2.6016 -2.6016 -2.5927 -2.5927 -2.4156 -2.4156 -2.4084 -2.4084 -2.1543 -2.1543 -2.1502 -2.1502 -1.3228 -1.3228 -1.3146 -1.3146 -0.9763 -0.9763 -0.9729 -0.9729 -0.8291 -0.8291 -0.8267 -0.8267 k = 0.2911 0.3733 0.6906 ( 9328 PWs) bands (ev): -12.1246 -12.1246 -12.1246 -12.1246 -10.0938 -10.0938 -10.0938 -10.0938 -9.9165 -9.9165 -9.9165 -9.9165 -9.6000 -9.6000 -9.6000 -9.6000 -3.7858 -3.7858 -3.7844 -3.7844 -3.7107 -3.7107 -3.7104 -3.7104 -2.6066 -2.6066 -2.5960 -2.5960 -2.4177 -2.4177 -2.4101 -2.4101 -2.1772 -2.1772 -2.1720 -2.1720 -1.2726 -1.2726 -1.2641 -1.2641 -0.9633 -0.9633 -0.9599 -0.9599 -0.8118 -0.8118 -0.8094 -0.8094 k = 0.2772 0.3556 0.6906 ( 9344 PWs) bands (ev): -12.1251 -12.1251 -12.1251 -12.1251 -10.1024 -10.1024 -10.1024 -10.1024 -9.9111 -9.9111 -9.9111 -9.9111 -9.5931 -9.5931 -9.5931 -9.5931 -3.8024 -3.8024 -3.8015 -3.8015 -3.7165 -3.7165 -3.7162 -3.7162 -2.6114 -2.6114 -2.5991 -2.5991 -2.4188 -2.4188 -2.4107 -2.4107 -2.1974 -2.1974 -2.1912 -2.1912 -1.2227 -1.2227 -1.2139 -1.2139 -0.9501 -0.9501 -0.9466 -0.9466 -0.7970 -0.7970 -0.7945 -0.7945 k = 0.2634 0.3378 0.6906 ( 9336 PWs) bands (ev): -12.1256 -12.1256 -12.1256 -12.1256 -10.1113 -10.1113 -10.1113 -10.1113 -9.9045 -9.9045 -9.9045 -9.9045 -9.5870 -9.5870 -9.5870 -9.5870 -3.8229 -3.8229 -3.8223 -3.8223 -3.7196 -3.7196 -3.7187 -3.7187 -2.6155 -2.6155 -2.6014 -2.6014 -2.4202 -2.4202 -2.4114 -2.4114 -2.2138 -2.2138 -2.2069 -2.2069 -1.1734 -1.1734 -1.1643 -1.1643 -0.9368 -0.9368 -0.9331 -0.9331 -0.7854 -0.7854 -0.7827 -0.7827 k = 0.2495 0.3200 0.6906 ( 9326 PWs) bands (ev): -12.1261 -12.1261 -12.1261 -12.1261 -10.1204 -10.1204 -10.1203 -10.1203 -9.8968 -9.8968 -9.8968 -9.8968 -9.5818 -9.5818 -9.5817 -9.5817 -3.8452 -3.8452 -3.8449 -3.8449 -3.7213 -3.7213 -3.7199 -3.7199 -2.6183 -2.6183 -2.6023 -2.6023 -2.4234 -2.4234 -2.4134 -2.4134 -2.2257 -2.2257 -2.2182 -2.2182 -1.1248 -1.1248 -1.1155 -1.1155 -0.9235 -0.9235 -0.9196 -0.9196 -0.7778 -0.7778 -0.7749 -0.7749 k = 0.2356 0.3022 0.6906 ( 9326 PWs) bands (ev): -12.1266 -12.1266 -12.1266 -12.1266 -10.1294 -10.1294 -10.1294 -10.1294 -9.8883 -9.8883 -9.8883 -9.8883 -9.5774 -9.5774 -9.5774 -9.5774 -3.8684 -3.8684 -3.8682 -3.8682 -3.7226 -3.7226 -3.7209 -3.7209 -2.6198 -2.6198 -2.6016 -2.6016 -2.4292 -2.4292 -2.4174 -2.4174 -2.2322 -2.2322 -2.2245 -2.2245 -1.0772 -1.0772 -1.0678 -1.0678 -0.9103 -0.9103 -0.9062 -0.9062 -0.7750 -0.7750 -0.7718 -0.7718 k = 0.2218 0.2844 0.6906 ( 9338 PWs) bands (ev): -12.1272 -12.1272 -12.1272 -12.1272 -10.1383 -10.1383 -10.1383 -10.1383 -9.8791 -9.8791 -9.8790 -9.8790 -9.5739 -9.5739 -9.5739 -9.5739 -3.8918 -3.8918 -3.8917 -3.8917 -3.7240 -3.7240 -3.7221 -3.7221 -2.6199 -2.6199 -2.5992 -2.5992 -2.4376 -2.4376 -2.4235 -2.4235 -2.2336 -2.2336 -2.2260 -2.2260 -1.0311 -1.0311 -1.0216 -1.0216 -0.8977 -0.8977 -0.8933 -0.8933 -0.7774 -0.7774 -0.7739 -0.7739 k = 0.2079 0.2667 0.6906 ( 9364 PWs) bands (ev): -12.1277 -12.1277 -12.1277 -12.1277 -10.1470 -10.1470 -10.1470 -10.1470 -9.8693 -9.8693 -9.8693 -9.8693 -9.5712 -9.5712 -9.5712 -9.5712 -3.9149 -3.9149 -3.9148 -3.9148 -3.7259 -3.7259 -3.7238 -3.7238 -2.6188 -2.6188 -2.5955 -2.5955 -2.4477 -2.4477 -2.4308 -2.4308 -2.2306 -2.2306 -2.2233 -2.2233 -0.9867 -0.9867 -0.9773 -0.9773 -0.8866 -0.8866 -0.8819 -0.8819 -0.7845 -0.7845 -0.7805 -0.7805 k = 0.1941 0.2489 0.6906 ( 9366 PWs) bands (ev): -12.1283 -12.1283 -12.1283 -12.1283 -10.1553 -10.1553 -10.1553 -10.1553 -9.8591 -9.8591 -9.8591 -9.8591 -9.5694 -9.5694 -9.5694 -9.5694 -3.9374 -3.9374 -3.9374 -3.9374 -3.7282 -3.7282 -3.7260 -3.7260 -2.6170 -2.6170 -2.5909 -2.5909 -2.4579 -2.4579 -2.4381 -2.4381 -2.2242 -2.2242 -2.2174 -2.2174 -0.9449 -0.9449 -0.9360 -0.9360 -0.8783 -0.8783 -0.8738 -0.8738 -0.7936 -0.7936 -0.7893 -0.7893 k = 0.1802 0.2311 0.6906 ( 9354 PWs) bands (ev): -12.1288 -12.1288 -12.1288 -12.1288 -10.1632 -10.1632 -10.1632 -10.1632 -9.8487 -9.8487 -9.8486 -9.8486 -9.5684 -9.5684 -9.5684 -9.5684 -3.9591 -3.9591 -3.9590 -3.9590 -3.7311 -3.7311 -3.7287 -3.7287 -2.6152 -2.6152 -2.5867 -2.5867 -2.4663 -2.4663 -2.4439 -2.4439 -2.2157 -2.2157 -2.2093 -2.2093 -0.9098 -0.9098 -0.9039 -0.9039 -0.8711 -0.8711 -0.8700 -0.8700 -0.7989 -0.7989 -0.7950 -0.7950 k = 0.1663 0.2133 0.6906 ( 9350 PWs) bands (ev): -12.1293 -12.1293 -12.1293 -12.1293 -10.1707 -10.1707 -10.1707 -10.1707 -9.8380 -9.8380 -9.8380 -9.8380 -9.5682 -9.5682 -9.5682 -9.5682 -3.9797 -3.9797 -3.9797 -3.9797 -3.7344 -3.7344 -3.7320 -3.7320 -2.6144 -2.6144 -2.5846 -2.5846 -2.4707 -2.4707 -2.4467 -2.4467 -2.2060 -2.2060 -2.1999 -2.1999 -0.9029 -0.9029 -0.9025 -0.9025 -0.8528 -0.8528 -0.8467 -0.8467 -0.7959 -0.7959 -0.7930 -0.7930 k = 0.1525 0.1956 0.6906 ( 9360 PWs) bands (ev): -12.1298 -12.1298 -12.1298 -12.1298 -10.1776 -10.1776 -10.1776 -10.1776 -9.8274 -9.8274 -9.8273 -9.8273 -9.5686 -9.5686 -9.5686 -9.5686 -3.9992 -3.9992 -3.9992 -3.9992 -3.7381 -3.7381 -3.7358 -3.7358 -2.6152 -2.6152 -2.5860 -2.5860 -2.4692 -2.4692 -2.4455 -2.4455 -2.1957 -2.1957 -2.1901 -2.1901 -0.9222 -0.9222 -0.9216 -0.9216 -0.8212 -0.8212 -0.8153 -0.8153 -0.7860 -0.7859 -0.7829 -0.7829 k = 0.1386 0.1778 0.6906 ( 9360 PWs) bands (ev): -12.1303 -12.1303 -12.1303 -12.1303 -10.1841 -10.1841 -10.1841 -10.1841 -9.8168 -9.8168 -9.8167 -9.8167 -9.5698 -9.5698 -9.5698 -9.5698 -4.0174 -4.0174 -4.0174 -4.0174 -3.7421 -3.7421 -3.7399 -3.7399 -2.6179 -2.6179 -2.5912 -2.5912 -2.4615 -2.4615 -2.4399 -2.4399 -2.1856 -2.1856 -2.1803 -2.1803 -0.9484 -0.9484 -0.9483 -0.9483 -0.7912 -0.7912 -0.7890 -0.7890 -0.7712 -0.7712 -0.7655 -0.7655 k = 0.1248 0.1600 0.6906 ( 9348 PWs) bands (ev): -12.1308 -12.1308 -12.1308 -12.1308 -10.1899 -10.1899 -10.1899 -10.1899 -9.8063 -9.8063 -9.8063 -9.8063 -9.5715 -9.5715 -9.5715 -9.5715 -4.0342 -4.0342 -4.0342 -4.0342 -3.7463 -3.7463 -3.7441 -3.7441 -2.6225 -2.6225 -2.5992 -2.5992 -2.4487 -2.4487 -2.4301 -2.4301 -2.1760 -2.1760 -2.1712 -2.1712 -0.9777 -0.9777 -0.9774 -0.9774 -0.7700 -0.7700 -0.7685 -0.7685 -0.7504 -0.7504 -0.7421 -0.7421 k = 0.1109 0.1422 0.6906 ( 9348 PWs) bands (ev): -12.1312 -12.1312 -12.1312 -12.1312 -10.1952 -10.1952 -10.1952 -10.1952 -9.7962 -9.7962 -9.7962 -9.7962 -9.5737 -9.5737 -9.5737 -9.5737 -4.0495 -4.0495 -4.0494 -4.0494 -3.7504 -3.7504 -3.7484 -3.7484 -2.6282 -2.6282 -2.6086 -2.6086 -2.4324 -2.4324 -2.4171 -2.4171 -2.1673 -2.1673 -2.1629 -2.1629 -1.0076 -1.0076 -1.0071 -1.0071 -0.7543 -0.7543 -0.7518 -0.7518 -0.7265 -0.7265 -0.7188 -0.7188 k = 0.0970 0.1244 0.6906 ( 9348 PWs) bands (ev): -12.1316 -12.1316 -12.1316 -12.1316 -10.1999 -10.1999 -10.1999 -10.1999 -9.7866 -9.7866 -9.7866 -9.7866 -9.5763 -9.5763 -9.5763 -9.5763 -4.0632 -4.0632 -4.0631 -4.0631 -3.7544 -3.7544 -3.7526 -3.7526 -2.6346 -2.6346 -2.6183 -2.6183 -2.4141 -2.4141 -2.4018 -2.4018 -2.1598 -2.1598 -2.1558 -2.1558 -1.0367 -1.0367 -1.0361 -1.0361 -0.7397 -0.7397 -0.7372 -0.7372 -0.7046 -0.7046 -0.6988 -0.6988 k = 0.0832 0.1067 0.6906 ( 9354 PWs) bands (ev): -12.1319 -12.1319 -12.1319 -12.1319 -10.2040 -10.2040 -10.2040 -10.2040 -9.7777 -9.7777 -9.7776 -9.7776 -9.5791 -9.5791 -9.5791 -9.5791 -4.0752 -4.0752 -4.0751 -4.0751 -3.7581 -3.7581 -3.7565 -3.7565 -2.6409 -2.6409 -2.6277 -2.6277 -2.3951 -2.3951 -2.3853 -2.3853 -2.1537 -2.1537 -2.1501 -2.1501 -1.0642 -1.0642 -1.0635 -1.0635 -0.7259 -0.7259 -0.7237 -0.7237 -0.6864 -0.6864 -0.6833 -0.6833 k = 0.0693 0.0889 0.6906 ( 9346 PWs) bands (ev): -12.1322 -12.1322 -12.1322 -12.1322 -10.2075 -10.2075 -10.2075 -10.2075 -9.7695 -9.7695 -9.7695 -9.7695 -9.5820 -9.5820 -9.5820 -9.5820 -4.0854 -4.0854 -4.0854 -4.0854 -3.7615 -3.7615 -3.7601 -3.7601 -2.6467 -2.6467 -2.6362 -2.6362 -2.3763 -2.3763 -2.3688 -2.3688 -2.1489 -2.1489 -2.1458 -2.1458 -1.0890 -1.0890 -1.0884 -1.0884 -0.7133 -0.7133 -0.7115 -0.7115 -0.6720 -0.6720 -0.6718 -0.6718 k = 0.0554 0.0711 0.6906 ( 9346 PWs) bands (ev): -12.1324 -12.1324 -12.1324 -12.1324 -10.2103 -10.2103 -10.2103 -10.2103 -9.7624 -9.7624 -9.7624 -9.7624 -9.5847 -9.5847 -9.5847 -9.5847 -4.0939 -4.0939 -4.0938 -4.0938 -3.7644 -3.7644 -3.7632 -3.7632 -2.6517 -2.6517 -2.6436 -2.6436 -2.3589 -2.3589 -2.3532 -2.3532 -2.1456 -2.1456 -2.1430 -2.1430 -1.1105 -1.1105 -1.1099 -1.1099 -0.7022 -0.7022 -0.7012 -0.7012 -0.6638 -0.6638 -0.6602 -0.6602 k = 0.0416 0.0533 0.6906 ( 9336 PWs) bands (ev): -12.1326 -12.1326 -12.1326 -12.1326 -10.2125 -10.2125 -10.2125 -10.2125 -9.7565 -9.7565 -9.7565 -9.7565 -9.5872 -9.5872 -9.5872 -9.5872 -4.1005 -4.1005 -4.1005 -4.1005 -3.7667 -3.7667 -3.7658 -3.7658 -2.6556 -2.6556 -2.6497 -2.6497 -2.3437 -2.3437 -2.3397 -2.3397 -2.1434 -2.1434 -2.1414 -2.1414 -1.1280 -1.1280 -1.1275 -1.1275 -0.6934 -0.6934 -0.6930 -0.6930 -0.6569 -0.6569 -0.6506 -0.6506 k = 0.0277 0.0356 0.6906 ( 9338 PWs) bands (ev): -12.1328 -12.1328 -12.1328 -12.1328 -10.2141 -10.2141 -10.2141 -10.2141 -9.7522 -9.7522 -9.7521 -9.7521 -9.5892 -9.5892 -9.5892 -9.5892 -4.1053 -4.1053 -4.1052 -4.1052 -3.7683 -3.7683 -3.7677 -3.7677 -2.6583 -2.6583 -2.6544 -2.6544 -2.3318 -2.3318 -2.3292 -2.3292 -2.1421 -2.1421 -2.1408 -2.1408 -1.1409 -1.1409 -1.1406 -1.1406 -0.6873 -0.6873 -0.6872 -0.6872 -0.6504 -0.6504 -0.6420 -0.6420 k = 0.0139 0.0178 0.6906 ( 9334 PWs) bands (ev): -12.1328 -12.1328 -12.1328 -12.1328 -10.2151 -10.2151 -10.2151 -10.2151 -9.7494 -9.7494 -9.7494 -9.7494 -9.5904 -9.5904 -9.5904 -9.5904 -4.1081 -4.1081 -4.1081 -4.1081 -3.7692 -3.7692 -3.7690 -3.7690 -2.6596 -2.6596 -2.6576 -2.6576 -2.3240 -2.3240 -2.3227 -2.3227 -2.1415 -2.1415 -2.1408 -2.1408 -1.1488 -1.1488 -1.1486 -1.1486 -0.6839 -0.6839 -0.6837 -0.6837 -0.6438 -0.6438 -0.6336 -0.6334 k = 0.0000 0.0000 0.6906 ( 9334 PWs) bands (ev): -12.1329 -12.1329 -12.1329 -12.1329 -10.2154 -10.2154 -10.2154 -10.2154 -9.7485 -9.7485 -9.7485 -9.7485 -9.5909 -9.5909 -9.5909 -9.5909 -4.1091 -4.1091 -4.1091 -4.1091 -3.7695 -3.7695 -3.7695 -3.7695 -2.6594 -2.6594 -2.6594 -2.6594 -2.3209 -2.3209 -2.3209 -2.3209 -2.1410 -2.1410 -2.1410 -2.1410 -1.1514 -1.1514 -1.1514 -1.1514 -0.6827 -0.6827 -0.6827 -0.6827 -0.6377 -0.6377 -0.6377 -0.6377 k = 0.0000 0.0000 0.6906 ( 9334 PWs) bands (ev): -12.1329 -12.1329 -12.1329 -12.1329 -10.2154 -10.2154 -10.2154 -10.2154 -9.7485 -9.7485 -9.7485 -9.7485 -9.5909 -9.5909 -9.5909 -9.5909 -4.1091 -4.1091 -4.1091 -4.1091 -3.7695 -3.7695 -3.7695 -3.7695 -2.6594 -2.6594 -2.6594 -2.6594 -2.3209 -2.3209 -2.3209 -2.3209 -2.1410 -2.1410 -2.1410 -2.1410 -1.1514 -1.1514 -1.1514 -1.1514 -0.6827 -0.6827 -0.6827 -0.6827 -0.6377 -0.6377 -0.6377 -0.6377 k = 0.0000 0.0000 0.6683 ( 9338 PWs) bands (ev): -12.1373 -12.1373 -12.1289 -12.1289 -10.2367 -10.2367 -10.1933 -10.1933 -9.7576 -9.7576 -9.7396 -9.7396 -9.5911 -9.5911 -9.5906 -9.5906 -4.1224 -4.1224 -4.0940 -4.0940 -3.7844 -3.7844 -3.7535 -3.7535 -2.6737 -2.6737 -2.6455 -2.6455 -2.3467 -2.3467 -2.2935 -2.2935 -2.1964 -2.1964 -2.0839 -2.0839 -1.1638 -1.1638 -1.1379 -1.1379 -0.6852 -0.6852 -0.6825 -0.6825 -0.6532 -0.6532 -0.6405 -0.6405 k = 0.0000 0.0000 0.6460 ( 9350 PWs) bands (ev): -12.1421 -12.1421 -12.1254 -12.1254 -10.2572 -10.2572 -10.1705 -10.1705 -9.7668 -9.7668 -9.7308 -9.7308 -9.5914 -9.5914 -9.5904 -9.5904 -4.1338 -4.1338 -4.0772 -4.0772 -3.7984 -3.7984 -3.7363 -3.7363 -2.6878 -2.6878 -2.6331 -2.6331 -2.3704 -2.3704 -2.2711 -2.2711 -2.2417 -2.2417 -2.0269 -2.0269 -1.1745 -1.1745 -1.1237 -1.1237 -0.6895 -0.6895 -0.6859 -0.6859 -0.6697 -0.6697 -0.6538 -0.6538 k = 0.0000 0.0000 0.6237 ( 9334 PWs) bands (ev): -12.1474 -12.1474 -12.1223 -12.1223 -10.2769 -10.2769 -10.1470 -10.1470 -9.7761 -9.7761 -9.7223 -9.7223 -9.5917 -9.5917 -9.5901 -9.5901 -4.1434 -4.1434 -4.0589 -4.0589 -3.8115 -3.8115 -3.7177 -3.7177 -2.7014 -2.7014 -2.6240 -2.6240 -2.3919 -2.3919 -2.3021 -2.3021 -2.2266 -2.2266 -1.9716 -1.9716 -1.1826 -1.1826 -1.1092 -1.1092 -0.6972 -0.6972 -0.6946 -0.6946 -0.6828 -0.6828 -0.6673 -0.6673 k = 0.0000 0.0000 0.6015 ( 9336 PWs) bands (ev): -12.1530 -12.1530 -12.1197 -12.1197 -10.2958 -10.2958 -10.1229 -10.1229 -9.7855 -9.7855 -9.7139 -9.7139 -9.5920 -9.5920 -9.5898 -9.5898 -4.1509 -4.1509 -4.0393 -4.0393 -3.8239 -3.8239 -3.6978 -3.6978 -2.7142 -2.7142 -2.6210 -2.6210 -2.4109 -2.4109 -2.3396 -2.3396 -2.1945 -2.1945 -1.9195 -1.9195 -1.1872 -1.1872 -1.0946 -1.0946 -0.7156 -0.7156 -0.7015 -0.7015 -0.6927 -0.6927 -0.6810 -0.6810 k = 0.0000 0.0000 0.5792 ( 9348 PWs) bands (ev): -12.1590 -12.1590 -12.1176 -12.1176 -10.3138 -10.3138 -10.0983 -10.0983 -9.7950 -9.7950 -9.7059 -9.7059 -9.5924 -9.5924 -9.5896 -9.5896 -4.1565 -4.1565 -4.0186 -4.0186 -3.8358 -3.8358 -3.6764 -3.6764 -2.7261 -2.7261 -2.6277 -2.6277 -2.4276 -2.4276 -2.3648 -2.3648 -2.1603 -2.1603 -1.8723 -1.8723 -1.1871 -1.1871 -1.0803 -1.0803 -0.7376 -0.7376 -0.7090 -0.7090 -0.7041 -0.7041 -0.6956 -0.6956 k = 0.0000 0.0000 0.5569 ( 9358 PWs) bands (ev): -12.1653 -12.1653 -12.1158 -12.1158 -10.3309 -10.3309 -10.0731 -10.0731 -9.8044 -9.8044 -9.6981 -9.6981 -9.5927 -9.5927 -9.5893 -9.5893 -4.1601 -4.1601 -3.9971 -3.9971 -3.8471 -3.8471 -3.6534 -3.6534 -2.7371 -2.7371 -2.6459 -2.6459 -2.4413 -2.4413 -2.3751 -2.3751 -2.1251 -2.1251 -1.8319 -1.8319 -1.1808 -1.1808 -1.0663 -1.0663 -0.7623 -0.7623 -0.7230 -0.7230 -0.7164 -0.7164 -0.7138 -0.7138 k = 0.0000 0.0000 0.5346 ( 9352 PWs) bands (ev): -12.1719 -12.1719 -12.1145 -12.1145 -10.3473 -10.3473 -10.0476 -10.0476 -9.8139 -9.8139 -9.6905 -9.6905 -9.5931 -9.5931 -9.5890 -9.5890 -4.1616 -4.1616 -3.9751 -3.9751 -3.8581 -3.8581 -3.6286 -3.6286 -2.7472 -2.7472 -2.6738 -2.6738 -2.4515 -2.4515 -2.3720 -2.3720 -2.0894 -2.0894 -1.8000 -1.8000 -1.1672 -1.1672 -1.0529 -1.0529 -0.7898 -0.7898 -0.7556 -0.7556 -0.7298 -0.7298 -0.7246 -0.7246 k = 0.0000 0.0000 0.5124 ( 9360 PWs) bands (ev): -12.1787 -12.1787 -12.1136 -12.1136 -10.3627 -10.3627 -10.0217 -10.0217 -9.8232 -9.8232 -9.6833 -9.6833 -9.5935 -9.5935 -9.5887 -9.5887 -4.1613 -4.1613 -3.9530 -3.9530 -3.8687 -3.8687 -3.6022 -3.6022 -2.7567 -2.7567 -2.7070 -2.7070 -2.4584 -2.4584 -2.3590 -2.3590 -2.0536 -2.0536 -1.7778 -1.7778 -1.1457 -1.1457 -1.0402 -1.0402 -0.8201 -0.8201 -0.7907 -0.7907 -0.7444 -0.7444 -0.7337 -0.7335 k = 0.0000 0.0000 0.4901 ( 9368 PWs) bands (ev): -12.1858 -12.1858 -12.1130 -12.1130 -10.3774 -10.3774 -9.9956 -9.9956 -9.8325 -9.8325 -9.6764 -9.6764 -9.5939 -9.5939 -9.5884 -9.5884 -4.1590 -4.1590 -3.9314 -3.9314 -3.8792 -3.8792 -3.5739 -3.5739 -2.7672 -2.7672 -2.7399 -2.7399 -2.4620 -2.4620 -2.3392 -2.3392 -2.0183 -2.0183 -1.7659 -1.7659 -1.1168 -1.1168 -1.0283 -1.0283 -0.8531 -0.8531 -0.8241 -0.8241 -0.7590 -0.7590 -0.7457 -0.7457 k = 0.0000 0.0000 0.4678 ( 9375 PWs) bands (ev): -12.1930 -12.1930 -12.1128 -12.1128 -10.3912 -10.3912 -9.9693 -9.9693 -9.8417 -9.8417 -9.6698 -9.6698 -9.5944 -9.5944 -9.5881 -9.5881 -4.1548 -4.1548 -3.9108 -3.9108 -3.8894 -3.8894 -3.5438 -3.5438 -2.7861 -2.7861 -2.7619 -2.7619 -2.4626 -2.4626 -2.3149 -2.3149 -1.9840 -1.9840 -1.7638 -1.7638 -1.0828 -1.0828 -1.0174 -1.0174 -0.8881 -0.8881 -0.8532 -0.8532 -0.7733 -0.7733 -0.7592 -0.7592 k = 0.0000 0.0000 0.4455 ( 9371 PWs) bands (ev): -12.2003 -12.2003 -12.1129 -12.1129 -10.4043 -10.4043 -9.9431 -9.9431 -9.8506 -9.8506 -9.6635 -9.6635 -9.5949 -9.5949 -9.5877 -9.5877 -4.1488 -4.1488 -3.8995 -3.8995 -3.8917 -3.8917 -3.5118 -3.5118 -2.8135 -2.8135 -2.7711 -2.7711 -2.4603 -2.4603 -2.2874 -2.2874 -1.9515 -1.9515 -1.7707 -1.7707 -1.0493 -1.0493 -1.0076 -1.0076 -0.9245 -0.9245 -0.8733 -0.8733 -0.7872 -0.7872 -0.7754 -0.7754 k = 0.0000 0.0000 0.4232 ( 9371 PWs) bands (ev): -12.2077 -12.2077 -12.1132 -12.1132 -10.4165 -10.4165 -9.9169 -9.9169 -9.8594 -9.8594 -9.6575 -9.6575 -9.5954 -9.5954 -9.5873 -9.5873 -4.1411 -4.1411 -3.9095 -3.9095 -3.8751 -3.8751 -3.4779 -3.4779 -2.8386 -2.8386 -2.7767 -2.7767 -2.4550 -2.4550 -2.2577 -2.2577 -1.9216 -1.9216 -1.7850 -1.7850 -1.0270 -1.0270 -0.9993 -0.9993 -0.9610 -0.9610 -0.8749 -0.8749 -0.8097 -0.8097 -0.7993 -0.7993 k = 0.0000 0.0000 0.4010 ( 9361 PWs) bands (ev): -12.2150 -12.2150 -12.1138 -12.1138 -10.4280 -10.4280 -9.8910 -9.8910 -9.8680 -9.8680 -9.6519 -9.6519 -9.5959 -9.5959 -9.5869 -9.5869 -4.1318 -4.1318 -3.9193 -3.9193 -3.8616 -3.8616 -3.4421 -3.4421 -2.8580 -2.8580 -2.7807 -2.7807 -2.4469 -2.4469 -2.2264 -2.2264 -1.8955 -1.8955 -1.8056 -1.8056 -1.0252 -1.0252 -0.9970 -0.9970 -0.9929 -0.9929 -0.8522 -0.8522 -0.8445 -0.8445 -0.8117 -0.8117 k = 0.0000 0.0000 0.3787 ( 9349 PWs) bands (ev): -12.2224 -12.2224 -12.1147 -12.1147 -10.4387 -10.4387 -9.8763 -9.8763 -9.8654 -9.8654 -9.6466 -9.6466 -9.5964 -9.5964 -9.5865 -9.5865 -4.1210 -4.1210 -3.9290 -3.9290 -3.8516 -3.8516 -3.4043 -3.4043 -2.8705 -2.8705 -2.7837 -2.7837 -2.4361 -2.4361 -2.1939 -2.1939 -1.8741 -1.8741 -1.8312 -1.8312 -1.0379 -1.0379 -1.0301 -1.0301 -0.9911 -0.9911 -0.8823 -0.8823 -0.8270 -0.8270 -0.8188 -0.8188 k = 0.0000 0.0000 0.3564 ( 9355 PWs) bands (ev): -12.2296 -12.2296 -12.1157 -12.1157 -10.4487 -10.4487 -9.8844 -9.8844 -9.8403 -9.8403 -9.6416 -9.6416 -9.5969 -9.5969 -9.5861 -9.5861 -4.1089 -4.1089 -3.9386 -3.9386 -3.8458 -3.8458 -3.3647 -3.3647 -2.8752 -2.8752 -2.7856 -2.7856 -2.4229 -2.4229 -2.1607 -2.1607 -1.8620 -1.8620 -1.8578 -1.8578 -1.0606 -1.0606 -1.0552 -1.0552 -0.9985 -0.9985 -0.9136 -0.9136 -0.8356 -0.8356 -0.8257 -0.8257 k = 0.0000 0.0000 0.3341 ( 9359 PWs) bands (ev): -12.2367 -12.2367 -12.1168 -12.1168 -10.4580 -10.4580 -9.8921 -9.8921 -9.8158 -9.8158 -9.6370 -9.6370 -9.5974 -9.5974 -9.5856 -9.5856 -4.0956 -4.0956 -3.9479 -3.9479 -3.8442 -3.8442 -3.3231 -3.3231 -2.8716 -2.8716 -2.7868 -2.7868 -2.4073 -2.4073 -2.1271 -2.1271 -1.8936 -1.8936 -1.8511 -1.8511 -1.0856 -1.0856 -1.0740 -1.0740 -1.0240 -1.0240 -0.9310 -0.9310 -0.8454 -0.8454 -0.8359 -0.8359 k = 0.0000 0.0000 0.3119 ( 9363 PWs) bands (ev): -12.2435 -12.2435 -12.1181 -12.1181 -10.4667 -10.4667 -9.8994 -9.8994 -9.7921 -9.7921 -9.6327 -9.6327 -9.5979 -9.5979 -9.5852 -9.5852 -4.0812 -4.0812 -3.9570 -3.9570 -3.8469 -3.8469 -3.2797 -3.2797 -2.8598 -2.8598 -2.7870 -2.7870 -2.3897 -2.3897 -2.0937 -2.0937 -1.9283 -1.9283 -1.8521 -1.8521 -1.1048 -1.1048 -1.0918 -1.0918 -1.0660 -1.0660 -0.9356 -0.9356 -0.8548 -0.8548 -0.8457 -0.8457 k = 0.0000 0.0000 0.2896 ( 9371 PWs) bands (ev): -12.2502 -12.2502 -12.1194 -12.1194 -10.4746 -10.4746 -9.9064 -9.9064 -9.7692 -9.7692 -9.6287 -9.6287 -9.5984 -9.5984 -9.5847 -9.5847 -4.0660 -4.0660 -3.9659 -3.9659 -3.8533 -3.8533 -3.2345 -3.2345 -2.8403 -2.8403 -2.7862 -2.7862 -2.3704 -2.3704 -2.0614 -2.0614 -1.9637 -1.9637 -1.8623 -1.8623 -1.1189 -1.1189 -1.1162 -1.1162 -1.1072 -1.1072 -0.9349 -0.9349 -0.8639 -0.8639 -0.8543 -0.8542 k = 0.0000 0.0000 0.2673 ( 9355 PWs) bands (ev): -12.2565 -12.2565 -12.1208 -12.1208 -10.4819 -10.4819 -9.9130 -9.9130 -9.7475 -9.7475 -9.6251 -9.6251 -9.5989 -9.5989 -9.5843 -9.5843 -4.0502 -4.0502 -3.9743 -3.9743 -3.8629 -3.8629 -3.1874 -3.1874 -2.8144 -2.8144 -2.7836 -2.7836 -2.3496 -2.3496 -2.0349 -2.0349 -1.9950 -1.9950 -1.8818 -1.8818 -1.1726 -1.1726 -1.1245 -1.1245 -1.1214 -1.1214 -0.9326 -0.9326 -0.8732 -0.8732 -0.8609 -0.8609 k = 0.0000 0.0000 0.2450 ( 9339 PWs) bands (ev): -12.2625 -12.2625 -12.1222 -12.1222 -10.4885 -10.4885 -9.9191 -9.9191 -9.7268 -9.7268 -9.6217 -9.6217 -9.5993 -9.5993 -9.5839 -9.5839 -4.0340 -4.0340 -3.9824 -3.9824 -3.8750 -3.8750 -3.1387 -3.1387 -2.7924 -2.7924 -2.7696 -2.7696 -2.3277 -2.3277 -2.0475 -2.0475 -1.9889 -1.9889 -1.9099 -1.9099 -1.2309 -1.2309 -1.1346 -1.1346 -1.1248 -1.1248 -0.9297 -0.9297 -0.8824 -0.8824 -0.8655 -0.8655 k = 0.0000 0.0000 0.2228 ( 9343 PWs) bands (ev): -12.2681 -12.2681 -12.1235 -12.1235 -10.4946 -10.4946 -9.9248 -9.9248 -9.7076 -9.7076 -9.6187 -9.6187 -9.5996 -9.5996 -9.5834 -9.5834 -4.0177 -4.0177 -3.9900 -3.9900 -3.8888 -3.8888 -3.0883 -3.0883 -2.7862 -2.7862 -2.7332 -2.7332 -2.3053 -2.3053 -2.0819 -2.0819 -1.9642 -1.9642 -1.9441 -1.9441 -1.2907 -1.2907 -1.1450 -1.1450 -1.1216 -1.1216 -0.9269 -0.9269 -0.8913 -0.8913 -0.8694 -0.8693 k = 0.0000 0.0000 0.2005 ( 9343 PWs) bands (ev): -12.2733 -12.2733 -12.1249 -12.1249 -10.5000 -10.5000 -9.9300 -9.9300 -9.6897 -9.6897 -9.6160 -9.6160 -9.5999 -9.5999 -9.5830 -9.5830 -4.0016 -4.0016 -3.9970 -3.9970 -3.9035 -3.9035 -3.0363 -3.0363 -2.7829 -2.7829 -2.6880 -2.6880 -2.2828 -2.2828 -2.1171 -2.1171 -1.9898 -1.9898 -1.9355 -1.9355 -1.3509 -1.3509 -1.1538 -1.1538 -1.1156 -1.1156 -0.9241 -0.9241 -0.8999 -0.8999 -0.8881 -0.8881 k = 0.0000 0.0000 0.1782 ( 9371 PWs) bands (ev): -12.2781 -12.2781 -12.1262 -12.1262 -10.5048 -10.5048 -9.9348 -9.9348 -9.6736 -9.6736 -9.6136 -9.6136 -9.6000 -9.6000 -9.5827 -9.5827 -4.0035 -4.0035 -3.9860 -3.9860 -3.9184 -3.9184 -2.9829 -2.9829 -2.7798 -2.7798 -2.6377 -2.6377 -2.2611 -2.2611 -2.1505 -2.1505 -2.0371 -2.0371 -1.9145 -1.9145 -1.4099 -1.4099 -1.1610 -1.1610 -1.1081 -1.1081 -0.9216 -0.9216 -0.9093 -0.9093 -0.9078 -0.9078 k = 0.0000 0.0000 0.1559 ( 9361 PWs) bands (ev): -12.2824 -12.2824 -12.1273 -12.1273 -10.5090 -10.5090 -9.9390 -9.9390 -9.6591 -9.6591 -9.6115 -9.6115 -9.6000 -9.6000 -9.5823 -9.5823 -4.0094 -4.0094 -3.9712 -3.9712 -3.9328 -3.9328 -2.9282 -2.9282 -2.7766 -2.7766 -2.5833 -2.5833 -2.2426 -2.2426 -2.1794 -2.1794 -2.0888 -2.0888 -1.8996 -1.8996 -1.4655 -1.4655 -1.1668 -1.1668 -1.1003 -1.1003 -0.9323 -0.9323 -0.9189 -0.9189 -0.9151 -0.9151 k = 0.0000 0.0000 0.1337 ( 9359 PWs) bands (ev): -12.2861 -12.2861 -12.1284 -12.1284 -10.5127 -10.5127 -9.9427 -9.9427 -9.6467 -9.6467 -9.6097 -9.6097 -9.5997 -9.5997 -9.5820 -9.5820 -4.0145 -4.0145 -3.9575 -3.9575 -3.9463 -3.9463 -2.8725 -2.8725 -2.7731 -2.7731 -2.5255 -2.5255 -2.2366 -2.2366 -2.1944 -2.1944 -2.1435 -2.1435 -1.8942 -1.8942 -1.5147 -1.5147 -1.1714 -1.1714 -1.0931 -1.0931 -0.9551 -0.9551 -0.9216 -0.9216 -0.9167 -0.9167 k = 0.0000 0.0000 0.1114 ( 9355 PWs) bands (ev): -12.2894 -12.2894 -12.1293 -12.1293 -10.5158 -10.5158 -9.9458 -9.9458 -9.6363 -9.6363 -9.6082 -9.6082 -9.5991 -9.5991 -9.5818 -9.5818 -4.0190 -4.0190 -3.9584 -3.9584 -3.9452 -3.9452 -2.8164 -2.8164 -2.7690 -2.7690 -2.4653 -2.4653 -2.2519 -2.2519 -2.2006 -2.2006 -2.1863 -2.1863 -1.9020 -1.9020 -1.5541 -1.5541 -1.1750 -1.1750 -1.0869 -1.0869 -0.9769 -0.9769 -0.9273 -0.9273 -0.9146 -0.9146 k = 0.0000 0.0000 0.0891 ( 9355 PWs) bands (ev): -12.2920 -12.2920 -12.1301 -12.1301 -10.5183 -10.5183 -9.9484 -9.9484 -9.6282 -9.6282 -9.6070 -9.6070 -9.5982 -9.5982 -9.5815 -9.5815 -4.0227 -4.0227 -3.9688 -3.9688 -3.9347 -3.9347 -2.7731 -2.7731 -2.7513 -2.7513 -2.4034 -2.4034 -2.2716 -2.2716 -2.2589 -2.2589 -2.1724 -2.1724 -1.9251 -1.9251 -1.5813 -1.5813 -1.1776 -1.1776 -1.0819 -1.0819 -0.9964 -0.9964 -0.9321 -0.9321 -0.9125 -0.9125 k = 0.0000 0.0000 0.0668 ( 9351 PWs) bands (ev): -12.2941 -12.2941 -12.1307 -12.1307 -10.5202 -10.5202 -9.9504 -9.9504 -9.6224 -9.6224 -9.6060 -9.6060 -9.5968 -9.5968 -9.5813 -9.5813 -4.0256 -4.0256 -3.9771 -3.9771 -3.9261 -3.9261 -2.7666 -2.7666 -2.6970 -2.6970 -2.3433 -2.3433 -2.3165 -2.3165 -2.2869 -2.2869 -2.1596 -2.1596 -1.9630 -1.9630 -1.5969 -1.5969 -1.1795 -1.1795 -1.0782 -1.0782 -1.0125 -1.0125 -0.9359 -0.9359 -0.9106 -0.9106 k = 0.0000 0.0000 0.0446 ( 9359 PWs) bands (ev): -12.2956 -12.2956 -12.1312 -12.1312 -10.5216 -10.5216 -9.9519 -9.9519 -9.6188 -9.6188 -9.6053 -9.6053 -9.5953 -9.5953 -9.5812 -9.5812 -4.0277 -4.0277 -3.9832 -3.9832 -3.9199 -3.9199 -2.7640 -2.7640 -2.6398 -2.6398 -2.3773 -2.3773 -2.3088 -2.3088 -2.2687 -2.2687 -2.1495 -2.1495 -2.0117 -2.0117 -1.6044 -1.6044 -1.1808 -1.1808 -1.0756 -1.0756 -1.0247 -1.0247 -0.9387 -0.9387 -0.9090 -0.9090 k = 0.0000 0.0000 0.0223 ( 9355 PWs) bands (ev): -12.2965 -12.2965 -12.1314 -12.1314 -10.5224 -10.5224 -9.9527 -9.9527 -9.6168 -9.6168 -9.6049 -9.6049 -9.5942 -9.5942 -9.5811 -9.5811 -4.0289 -4.0289 -3.9870 -3.9870 -3.9160 -3.9160 -2.7626 -2.7626 -2.5860 -2.5860 -2.4316 -2.4316 -2.3138 -2.3138 -2.2118 -2.2118 -2.1423 -2.1423 -2.0653 -2.0653 -1.6072 -1.6072 -1.1815 -1.1815 -1.0741 -1.0741 -1.0322 -1.0322 -0.9404 -0.9404 -0.9079 -0.9079 k = 0.0000 0.0000 0.0000 ( 9353 PWs) bands (ev): -12.2969 -12.2969 -12.1315 -12.1315 -10.5227 -10.5227 -9.9530 -9.9530 -9.6162 -9.6162 -9.6048 -9.6048 -9.5937 -9.5937 -9.5811 -9.5811 -4.0293 -4.0293 -3.9882 -3.9882 -3.9147 -3.9147 -2.7621 -2.7621 -2.5555 -2.5555 -2.4622 -2.4622 -2.3162 -2.3162 -2.1769 -2.1769 -2.1360 -2.1360 -2.1025 -2.1025 -1.6079 -1.6079 -1.1817 -1.1817 -1.0737 -1.0737 -1.0348 -1.0348 -0.9409 -0.9409 -0.9075 -0.9075 k = 0.0000 0.0000 0.0000 ( 9353 PWs) bands (ev): -12.2969 -12.2969 -12.1315 -12.1315 -10.5227 -10.5227 -9.9530 -9.9530 -9.6162 -9.6162 -9.6048 -9.6048 -9.5937 -9.5937 -9.5811 -9.5811 -4.0293 -4.0293 -3.9882 -3.9882 -3.9147 -3.9147 -2.7621 -2.7621 -2.5555 -2.5555 -2.4622 -2.4622 -2.3162 -2.3162 -2.1769 -2.1769 -2.1360 -2.1360 -2.1025 -2.1025 -1.6079 -1.6079 -1.1817 -1.1817 -1.0737 -1.0737 -1.0348 -1.0348 -0.9409 -0.9409 -0.9075 -0.9075 k =-0.0179 0.0139-0.0000 ( 9359 PWs) bands (ev): -12.2966 -12.2966 -12.1316 -12.1316 -10.5228 -10.5228 -9.9535 -9.9535 -9.6170 -9.6170 -9.6043 -9.6043 -9.5945 -9.5945 -9.5798 -9.5798 -4.0289 -4.0289 -3.9876 -3.9876 -3.9136 -3.9136 -2.7615 -2.7615 -2.5550 -2.5550 -2.4626 -2.4626 -2.3172 -2.3172 -2.1759 -2.1759 -2.1354 -2.1354 -2.1039 -2.1039 -1.6080 -1.6080 -1.1813 -1.1813 -1.0742 -1.0742 -1.0340 -1.0340 -0.9475 -0.9475 -0.9028 -0.9028 k =-0.0357 0.0278-0.0000 ( 9357 PWs) bands (ev): -12.2960 -12.2960 -12.1319 -12.1319 -10.5233 -10.5233 -9.9550 -9.9550 -9.6191 -9.6191 -9.6028 -9.6028 -9.5963 -9.5963 -9.5766 -9.5766 -4.0276 -4.0276 -3.9858 -3.9858 -3.9102 -3.9102 -2.7596 -2.7596 -2.5534 -2.5534 -2.4638 -2.4638 -2.3203 -2.3203 -2.1728 -2.1728 -2.1337 -2.1337 -2.1080 -2.1080 -1.6082 -1.6082 -1.1798 -1.1798 -1.0760 -1.0760 -1.0319 -1.0319 -0.9620 -0.9620 -0.8940 -0.8940 k =-0.0536 0.0418-0.0000 ( 9353 PWs) bands (ev): -12.2949 -12.2949 -12.1323 -12.1323 -10.5240 -10.5240 -9.9573 -9.9573 -9.6222 -9.6222 -9.6004 -9.6004 -9.5985 -9.5985 -9.5724 -9.5724 -4.0255 -4.0255 -3.9828 -3.9828 -3.9046 -3.9046 -2.7564 -2.7564 -2.5508 -2.5508 -2.4658 -2.4658 -2.3253 -2.3253 -2.1679 -2.1679 -2.1309 -2.1309 -2.1146 -2.1146 -1.6087 -1.6087 -1.1771 -1.1771 -1.0789 -1.0789 -1.0283 -1.0283 -0.9799 -0.9799 -0.8854 -0.8854 k =-0.0714 0.0557-0.0000 ( 9345 PWs) bands (ev): -12.2934 -12.2934 -12.1329 -12.1329 -10.5250 -10.5250 -9.9606 -9.9606 -9.6260 -9.6260 -9.6009 -9.6009 -9.5971 -9.5971 -9.5677 -9.5677 -4.0226 -4.0226 -3.9787 -3.9787 -3.8968 -3.8968 -2.7519 -2.7519 -2.5470 -2.5470 -2.4685 -2.4685 -2.3322 -2.3322 -2.1618 -2.1618 -2.1281 -2.1281 -2.1221 -2.1221 -1.6093 -1.6093 -1.1728 -1.1728 -1.0829 -1.0829 -1.0234 -1.0234 -1.0000 -1.0000 -0.8907 -0.8907 k =-0.0893 0.0696-0.0000 ( 9347 PWs) bands (ev): -12.2916 -12.2916 -12.1336 -12.1336 -10.5263 -10.5263 -9.9646 -9.9646 -9.6303 -9.6303 -9.6037 -9.6037 -9.5930 -9.5930 -9.5627 -9.5627 -4.0188 -4.0188 -3.9733 -3.9733 -3.8869 -3.8869 -2.7460 -2.7460 -2.5423 -2.5423 -2.4719 -2.4719 -2.3407 -2.3407 -2.1564 -2.1564 -2.1343 -2.1343 -2.1196 -2.1196 -1.6100 -1.6100 -1.1668 -1.1668 -1.0883 -1.0883 -1.0219 -1.0219 -1.0171 -1.0171 -0.9063 -0.9063 k =-0.1071 0.0835-0.0000 ( 9335 PWs) bands (ev): -12.2893 -12.2893 -12.1345 -12.1345 -10.5278 -10.5278 -9.9692 -9.9692 -9.6347 -9.6347 -9.6067 -9.6067 -9.5883 -9.5883 -9.5575 -9.5575 -4.0143 -4.0143 -3.9669 -3.9669 -3.8750 -3.8750 -2.7387 -2.7387 -2.5365 -2.5365 -2.4759 -2.4759 -2.3508 -2.3508 -2.1607 -2.1607 -2.1359 -2.1359 -2.1120 -2.1120 -1.6110 -1.6110 -1.1587 -1.1587 -1.0948 -1.0948 -1.0450 -1.0450 -1.0097 -1.0097 -0.9224 -0.9224 k =-0.1250 0.0975-0.0000 ( 9343 PWs) bands (ev): -12.2867 -12.2867 -12.1355 -12.1355 -10.5296 -10.5296 -9.9744 -9.9744 -9.6393 -9.6393 -9.6101 -9.6101 -9.5829 -9.5829 -9.5522 -9.5522 -4.0091 -4.0091 -3.9594 -3.9594 -3.8612 -3.8612 -2.7300 -2.7300 -2.5296 -2.5296 -2.4806 -2.4806 -2.3621 -2.3621 -2.1760 -2.1760 -2.1291 -2.1291 -2.1018 -2.1018 -1.6121 -1.6121 -1.1484 -1.1484 -1.1026 -1.1026 -1.0691 -1.0691 -1.0012 -1.0012 -0.9386 -0.9386 k =-0.1429 0.1114-0.0000 ( 9351 PWs) bands (ev): -12.2837 -12.2837 -12.1367 -12.1367 -10.5316 -10.5316 -9.9801 -9.9801 -9.6438 -9.6438 -9.6138 -9.6138 -9.5771 -9.5771 -9.5469 -9.5469 -4.0033 -4.0033 -3.9508 -3.9508 -3.8456 -3.8456 -2.7197 -2.7197 -2.5218 -2.5218 -2.4857 -2.4857 -2.3745 -2.3745 -2.1956 -2.1956 -2.1211 -2.1211 -2.0888 -2.0888 -1.6135 -1.6135 -1.1359 -1.1359 -1.1118 -1.1118 -1.0938 -1.0938 -0.9917 -0.9917 -0.9549 -0.9549 k =-0.1607 0.1253-0.0000 ( 9343 PWs) bands (ev): -12.2804 -12.2804 -12.1380 -12.1380 -10.5339 -10.5339 -9.9862 -9.9862 -9.6484 -9.6484 -9.6177 -9.6177 -9.5710 -9.5710 -9.5416 -9.5416 -3.9968 -3.9968 -3.9413 -3.9413 -3.8284 -3.8284 -2.7079 -2.7079 -2.5130 -2.5130 -2.4912 -2.4912 -2.3877 -2.3877 -2.2177 -2.2177 -2.1132 -2.1132 -2.0734 -2.0734 -1.6150 -1.6150 -1.1250 -1.1250 -1.1206 -1.1206 -1.1166 -1.1166 -0.9814 -0.9814 -0.9710 -0.9710 k =-0.1786 0.1392-0.0000 ( 9339 PWs) bands (ev): -12.2769 -12.2769 -12.1394 -12.1394 -10.5363 -10.5363 -9.9924 -9.9924 -9.6528 -9.6528 -9.6219 -9.6219 -9.5646 -9.5646 -9.5364 -9.5364 -3.9898 -3.9898 -3.9308 -3.9308 -3.8098 -3.8098 -2.6945 -2.6945 -2.5033 -2.5033 -2.4970 -2.4970 -2.4015 -2.4015 -2.2416 -2.2416 -2.1057 -2.1057 -2.0562 -2.0562 -1.6166 -1.6166 -1.1472 -1.1472 -1.1307 -1.1307 -1.1040 -1.1040 -0.9871 -0.9871 -0.9703 -0.9703 k =-0.1964 0.1532-0.0000 ( 9341 PWs) bands (ev): -12.2731 -12.2731 -12.1409 -12.1409 -10.5390 -10.5390 -9.9988 -9.9988 -9.6571 -9.6571 -9.6262 -9.6262 -9.5580 -9.5580 -9.5312 -9.5312 -3.9823 -3.9823 -3.9195 -3.9195 -3.7900 -3.7900 -2.6795 -2.6795 -2.5033 -2.5033 -2.4927 -2.4927 -2.4157 -2.4157 -2.2670 -2.2670 -2.0988 -2.0988 -2.0378 -2.0378 -1.6184 -1.6184 -1.1722 -1.1722 -1.1427 -1.1427 -1.0852 -1.0852 -1.0027 -1.0027 -0.9587 -0.9587 k =-0.2143 0.1671-0.0000 ( 9335 PWs) bands (ev): -12.2691 -12.2691 -12.1425 -12.1425 -10.5418 -10.5418 -10.0053 -10.0053 -9.6613 -9.6613 -9.6307 -9.6307 -9.5513 -9.5513 -9.5262 -9.5262 -3.9745 -3.9745 -3.9075 -3.9075 -3.7691 -3.7691 -2.6629 -2.6629 -2.5095 -2.5095 -2.4817 -2.4817 -2.4299 -2.4299 -2.2933 -2.2933 -2.0923 -2.0923 -2.0188 -2.0188 -1.6203 -1.6203 -1.1969 -1.1969 -1.1551 -1.1551 -1.0646 -1.0646 -1.0178 -1.0178 -0.9466 -0.9466 k =-0.2321 0.1810-0.0000 ( 9327 PWs) bands (ev): -12.2649 -12.2649 -12.1442 -12.1442 -10.5447 -10.5447 -10.0118 -10.0118 -9.6653 -9.6653 -9.6352 -9.6352 -9.5447 -9.5447 -9.5214 -9.5214 -3.9663 -3.9663 -3.8948 -3.8948 -3.7473 -3.7473 -2.6446 -2.6446 -2.5159 -2.5159 -2.4716 -2.4716 -2.4427 -2.4427 -2.3199 -2.3199 -2.0865 -2.0865 -1.9999 -1.9999 -1.6221 -1.6221 -1.2206 -1.2206 -1.1679 -1.1679 -1.0426 -1.0426 -1.0320 -1.0320 -0.9343 -0.9343 k =-0.2500 0.1949-0.0000 ( 9337 PWs) bands (ev): -12.2606 -12.2606 -12.1460 -12.1460 -10.5477 -10.5477 -10.0181 -10.0181 -9.6691 -9.6691 -9.6398 -9.6398 -9.5382 -9.5382 -9.5167 -9.5167 -3.9580 -3.9580 -3.8815 -3.8815 -3.7250 -3.7250 -2.6248 -2.6248 -2.5222 -2.5222 -2.4704 -2.4704 -2.4461 -2.4461 -2.3464 -2.3464 -2.0815 -2.0815 -1.9818 -1.9818 -1.6237 -1.6237 -1.2428 -1.2428 -1.1812 -1.1812 -1.0451 -1.0451 -1.0193 -1.0193 -0.9219 -0.9219 k =-0.2679 0.2088-0.0000 ( 9325 PWs) bands (ev): -12.2562 -12.2562 -12.1479 -12.1479 -10.5508 -10.5508 -10.0243 -10.0243 -9.6727 -9.6727 -9.6443 -9.6443 -9.5319 -9.5319 -9.5122 -9.5122 -3.9495 -3.9495 -3.8679 -3.8679 -3.7024 -3.7024 -2.6037 -2.6037 -2.5285 -2.5285 -2.4824 -2.4824 -2.4361 -2.4361 -2.3720 -2.3720 -2.0775 -2.0775 -1.9654 -1.9654 -1.6247 -1.6247 -1.2629 -1.2629 -1.1948 -1.1948 -1.0567 -1.0567 -0.9950 -0.9950 -0.9096 -0.9095 k =-0.2857 0.2228-0.0000 ( 9333 PWs) bands (ev): -12.2517 -12.2517 -12.1498 -12.1498 -10.5539 -10.5539 -10.0302 -10.0302 -9.6760 -9.6760 -9.6487 -9.6487 -9.5258 -9.5258 -9.5079 -9.5079 -3.9411 -3.9411 -3.8540 -3.8540 -3.6798 -3.6798 -2.5815 -2.5815 -2.5347 -2.5347 -2.4975 -2.4975 -2.4227 -2.4227 -2.3960 -2.3960 -2.0745 -2.0745 -1.9515 -1.9515 -1.6246 -1.6246 -1.2807 -1.2807 -1.2088 -1.2088 -1.0665 -1.0665 -0.9701 -0.9701 -0.9236 -0.9236 k =-0.3036 0.2367-0.0000 ( 9339 PWs) bands (ev): -12.2473 -12.2473 -12.1517 -12.1517 -10.5570 -10.5570 -10.0359 -10.0359 -9.6790 -9.6790 -9.6531 -9.6531 -9.5200 -9.5200 -9.5039 -9.5039 -3.9328 -3.9328 -3.8400 -3.8400 -3.6574 -3.6574 -2.5598 -2.5598 -2.5406 -2.5406 -2.5123 -2.5123 -2.4206 -2.4206 -2.4056 -2.4056 -2.0727 -2.0727 -1.9410 -1.9410 -1.6228 -1.6228 -1.2956 -1.2956 -1.2230 -1.2230 -1.0743 -1.0743 -0.9467 -0.9467 -0.9446 -0.9446 k =-0.3214 0.2506-0.0000 ( 9329 PWs) bands (ev): -12.2429 -12.2429 -12.1537 -12.1537 -10.5600 -10.5600 -10.0412 -10.0412 -9.6818 -9.6818 -9.6573 -9.6573 -9.5145 -9.5145 -9.5001 -9.5001 -3.9247 -3.9247 -3.8260 -3.8260 -3.6355 -3.6355 -2.5487 -2.5487 -2.5461 -2.5461 -2.5162 -2.5162 -2.4397 -2.4397 -2.3910 -2.3910 -2.0722 -2.0722 -1.9348 -1.9348 -1.6187 -1.6187 -1.3076 -1.3076 -1.2374 -1.2374 -1.0796 -1.0796 -0.9851 -0.9851 -0.9243 -0.9243 k =-0.3393 0.2645-0.0000 ( 9341 PWs) bands (ev): -12.2386 -12.2386 -12.1557 -12.1557 -10.5629 -10.5629 -10.0461 -10.0461 -9.6843 -9.6843 -9.6613 -9.6613 -9.5095 -9.5095 -9.4967 -9.4967 -3.9169 -3.9169 -3.8124 -3.8124 -3.6145 -3.6145 -2.5601 -2.5601 -2.5515 -2.5515 -2.4972 -2.4972 -2.4570 -2.4570 -2.3752 -2.3752 -2.0730 -2.0730 -1.9335 -1.9335 -1.6120 -1.6120 -1.3165 -1.3165 -1.2518 -1.2518 -1.0826 -1.0826 -1.0311 -1.0311 -0.9404 -0.9404 k =-0.3571 0.2785-0.0000 ( 9339 PWs) bands (ev): -12.2344 -12.2344 -12.1576 -12.1576 -10.5656 -10.5656 -10.0507 -10.0507 -9.6864 -9.6864 -9.6650 -9.6650 -9.5048 -9.5048 -9.4935 -9.4935 -3.9096 -3.9096 -3.7993 -3.7993 -3.5945 -3.5945 -2.5777 -2.5777 -2.5563 -2.5563 -2.4719 -2.4719 -2.4714 -2.4714 -2.3593 -2.3593 -2.0750 -2.0750 -1.9372 -1.9372 -1.6024 -1.6024 -1.3224 -1.3224 -1.2660 -1.2660 -1.0836 -1.0836 -1.0776 -1.0776 -0.9542 -0.9542 k =-0.3750 0.2924-0.0000 ( 9355 PWs) bands (ev): -12.2305 -12.2305 -12.1595 -12.1595 -10.5682 -10.5682 -10.0547 -10.0547 -9.6883 -9.6883 -9.6685 -9.6685 -9.5007 -9.5007 -9.4907 -9.4907 -3.9029 -3.9029 -3.7869 -3.7869 -3.5761 -3.5761 -2.5960 -2.5960 -2.5607 -2.5607 -2.4844 -2.4844 -2.4442 -2.4442 -2.3434 -2.3434 -2.0782 -2.0782 -1.9455 -1.9455 -1.5903 -1.5903 -1.3255 -1.3255 -1.2795 -1.2795 -1.1240 -1.1240 -1.0814 -1.0814 -0.9670 -0.9670 k =-0.3929 0.3063-0.0000 ( 9365 PWs) bands (ev): -12.2268 -12.2268 -12.1614 -12.1614 -10.5705 -10.5705 -10.0583 -10.0583 -9.6898 -9.6898 -9.6717 -9.6717 -9.4970 -9.4970 -9.4882 -9.4882 -3.8968 -3.8968 -3.7754 -3.7754 -3.5593 -3.5593 -2.6135 -2.6135 -2.5646 -2.5646 -2.4948 -2.4948 -2.4167 -2.4167 -2.3280 -2.3280 -2.0824 -2.0824 -1.9575 -1.9575 -1.5760 -1.5760 -1.3262 -1.3262 -1.2922 -1.2922 -1.1674 -1.1674 -1.0781 -1.0781 -0.9793 -0.9793 k =-0.4107 0.3202-0.0000 ( 9370 PWs) bands (ev): -12.2235 -12.2235 -12.1632 -12.1632 -10.5725 -10.5725 -10.0614 -10.0614 -9.6910 -9.6910 -9.6745 -9.6745 -9.4939 -9.4939 -9.4861 -9.4861 -3.8915 -3.8915 -3.7652 -3.7652 -3.5446 -3.5446 -2.6294 -2.6294 -2.5680 -2.5680 -2.5033 -2.5033 -2.3899 -2.3899 -2.3134 -2.3134 -2.0873 -2.0873 -1.9721 -1.9721 -1.5602 -1.5602 -1.3251 -1.3251 -1.3036 -1.3036 -1.2078 -1.2078 -1.0733 -1.0733 -0.9907 -0.9907 k =-0.4286 0.3342-0.0000 ( 9372 PWs) bands (ev): -12.2205 -12.2205 -12.1647 -12.1647 -10.5742 -10.5742 -10.0639 -10.0639 -9.6919 -9.6919 -9.6769 -9.6769 -9.4913 -9.4913 -9.4843 -9.4843 -3.8870 -3.8870 -3.7565 -3.7565 -3.5322 -3.5322 -2.6432 -2.6432 -2.5708 -2.5708 -2.5101 -2.5101 -2.3646 -2.3646 -2.2999 -2.2999 -2.0926 -2.0926 -1.9880 -1.9880 -1.5438 -1.5438 -1.3230 -1.3230 -1.3134 -1.3134 -1.2443 -1.2443 -1.0679 -1.0679 -1.0009 -1.0009 k =-0.4464 0.3481-0.0000 ( 9356 PWs) bands (ev): -12.2181 -12.2181 -12.1661 -12.1661 -10.5755 -10.5755 -10.0659 -10.0659 -9.6926 -9.6926 -9.6788 -9.6788 -9.4892 -9.4892 -9.4830 -9.4830 -3.8834 -3.8834 -3.7494 -3.7494 -3.5222 -3.5222 -2.6544 -2.6544 -2.5730 -2.5730 -2.5153 -2.5153 -2.3422 -2.3422 -2.2881 -2.2881 -2.0978 -2.0978 -2.0037 -2.0037 -1.5276 -1.5276 -1.3220 -1.3220 -1.3202 -1.3202 -1.2753 -1.2753 -1.0626 -1.0626 -1.0095 -1.0095 k =-0.4643 0.3620-0.0000 ( 9352 PWs) bands (ev): -12.2163 -12.2163 -12.1671 -12.1671 -10.5765 -10.5765 -10.0673 -10.0673 -9.6930 -9.6930 -9.6803 -9.6803 -9.4877 -9.4877 -9.4820 -9.4820 -3.8808 -3.8808 -3.7442 -3.7442 -3.5150 -3.5150 -2.6627 -2.6627 -2.5746 -2.5746 -2.5189 -2.5189 -2.3244 -2.3244 -2.2786 -2.2786 -2.1023 -2.1023 -2.0172 -2.0172 -1.5131 -1.5131 -1.3274 -1.3274 -1.3216 -1.3216 -1.2975 -1.2975 -1.0581 -1.0581 -1.0161 -1.0160 k =-0.4821 0.3759-0.0000 ( 9350 PWs) bands (ev): -12.2152 -12.2152 -12.1678 -12.1678 -10.5771 -10.5771 -10.0682 -10.0682 -9.6932 -9.6932 -9.6812 -9.6812 -9.4868 -9.4868 -9.4814 -9.4814 -3.8793 -3.8793 -3.7410 -3.7410 -3.5106 -3.5106 -2.6677 -2.6677 -2.5755 -2.5755 -2.5211 -2.5211 -2.3127 -2.3127 -2.2722 -2.2722 -2.1054 -2.1054 -2.0265 -2.0265 -1.5025 -1.5025 -1.3310 -1.3310 -1.3290 -1.3290 -1.3056 -1.3056 -1.0552 -1.0552 -1.0201 -1.0201 k =-0.5000 0.3899-0.0000 ( 9346 PWs) bands (ev): -12.2148 -12.2148 -12.1680 -12.1680 -10.5773 -10.5773 -10.0685 -10.0685 -9.6932 -9.6932 -9.6815 -9.6815 -9.4865 -9.4865 -9.4812 -9.4812 -3.8788 -3.8788 -3.7399 -3.7399 -3.5091 -3.5091 -2.6694 -2.6694 -2.5759 -2.5759 -2.5218 -2.5218 -2.3087 -2.3087 -2.2700 -2.2700 -2.1065 -2.1065 -2.0298 -2.0298 -1.4985 -1.4985 -1.3336 -1.3336 -1.3321 -1.3321 -1.3066 -1.3066 -1.0542 -1.0542 -1.0214 -1.0214 k =-0.5000 0.3899-0.0000 ( 9346 PWs) bands (ev): -12.2148 -12.2148 -12.1680 -12.1680 -10.5773 -10.5773 -10.0685 -10.0685 -9.6932 -9.6932 -9.6815 -9.6815 -9.4865 -9.4865 -9.4812 -9.4812 -3.8788 -3.8788 -3.7399 -3.7399 -3.5091 -3.5091 -2.6694 -2.6694 -2.5759 -2.5759 -2.5218 -2.5218 -2.3087 -2.3087 -2.2700 -2.2700 -2.1065 -2.1065 -2.0298 -2.0298 -1.4985 -1.4985 -1.3336 -1.3336 -1.3321 -1.3321 -1.3066 -1.3066 -1.0542 -1.0542 -1.0214 -1.0214 k =-0.4860 0.4078-0.0000 ( 9356 PWs) bands (ev): -12.2146 -12.2146 -12.1683 -12.1683 -10.5774 -10.5774 -10.0683 -10.0683 -9.6932 -9.6932 -9.6811 -9.6811 -9.4878 -9.4878 -9.4802 -9.4802 -3.8801 -3.8801 -3.7399 -3.7399 -3.5096 -3.5096 -2.6689 -2.6689 -2.6048 -2.6048 -2.4911 -2.4911 -2.3080 -2.3080 -2.2701 -2.2701 -2.1075 -2.1075 -2.0293 -2.0293 -1.4969 -1.4969 -1.3385 -1.3385 -1.3297 -1.3297 -1.3079 -1.3079 -1.0522 -1.0522 -1.0184 -1.0184 k =-0.4720 0.4258-0.0000 ( 9360 PWs) bands (ev): -12.2142 -12.2142 -12.1690 -12.1690 -10.5774 -10.5774 -10.0680 -10.0680 -9.6931 -9.6931 -9.6797 -9.6797 -9.4904 -9.4904 -9.4785 -9.4785 -3.8842 -3.8842 -3.7397 -3.7397 -3.5110 -3.5110 -2.6672 -2.6672 -2.6488 -2.6488 -2.4420 -2.4420 -2.3062 -2.3062 -2.2707 -2.2707 -2.1104 -2.1104 -2.0279 -2.0279 -1.4920 -1.4920 -1.3460 -1.3460 -1.3292 -1.3292 -1.3116 -1.3116 -1.0465 -1.0465 -1.0097 -1.0097 k =-0.4580 0.4437-0.0000 ( 9368 PWs) bands (ev): -12.2134 -12.2134 -12.1703 -12.1703 -10.5774 -10.5774 -10.0673 -10.0673 -9.6930 -9.6930 -9.6775 -9.6775 -9.4936 -9.4936 -9.4769 -9.4769 -3.8908 -3.8908 -3.7395 -3.7395 -3.5133 -3.5133 -2.6928 -2.6928 -2.6644 -2.6644 -2.3894 -2.3894 -2.3034 -2.3034 -2.2715 -2.2715 -2.1155 -2.1155 -2.0254 -2.0254 -1.4838 -1.4838 -1.3550 -1.3550 -1.3310 -1.3310 -1.3170 -1.3170 -1.0378 -1.0378 -0.9961 -0.9960 k =-0.4440 0.4617-0.0000 ( 9374 PWs) bands (ev): -12.2123 -12.2123 -12.1720 -12.1720 -10.5774 -10.5774 -10.0665 -10.0665 -9.6928 -9.6928 -9.6744 -9.6744 -9.4972 -9.4972 -9.4756 -9.4756 -3.8998 -3.8998 -3.7394 -3.7394 -3.5167 -3.5167 -2.7350 -2.7350 -2.6605 -2.6605 -2.3354 -2.3354 -2.3000 -2.3000 -2.2723 -2.2723 -2.1225 -2.1225 -2.0220 -2.0220 -1.4723 -1.4723 -1.3651 -1.3651 -1.3347 -1.3347 -1.3232 -1.3232 -1.0268 -1.0268 -0.9785 -0.9785 k =-0.4300 0.4796-0.0000 ( 9370 PWs) bands (ev): -12.2109 -12.2109 -12.1742 -12.1742 -10.5774 -10.5774 -10.0653 -10.0653 -9.6926 -9.6926 -9.6706 -9.6706 -9.5010 -9.5010 -9.4745 -9.4745 -3.9108 -3.9108 -3.7394 -3.7394 -3.5210 -3.5210 -2.7748 -2.7748 -2.6555 -2.6555 -2.2975 -2.2975 -2.2832 -2.2832 -2.2694 -2.2694 -2.1313 -2.1313 -2.0179 -2.0179 -1.4577 -1.4577 -1.3758 -1.3758 -1.3396 -1.3396 -1.3293 -1.3293 -1.0143 -1.0143 -0.9588 -0.9588 k =-0.4160 0.4976-0.0000 ( 9376 PWs) bands (ev): -12.2093 -12.2093 -12.1768 -12.1768 -10.5772 -10.5772 -10.0639 -10.0639 -9.6923 -9.6923 -9.6661 -9.6661 -9.5051 -9.5051 -9.4739 -9.4739 -3.9236 -3.9236 -3.7396 -3.7396 -3.5264 -3.5264 -2.8120 -2.8120 -2.6495 -2.6495 -2.2974 -2.2974 -2.2722 -2.2722 -2.2229 -2.2229 -2.1414 -2.1414 -2.0131 -2.0131 -1.4402 -1.4402 -1.3873 -1.3873 -1.3449 -1.3449 -1.3341 -1.3341 -1.0009 -1.0009 -0.9404 -0.9404 k =-0.4020 0.5156-0.0000 ( 9376 PWs) bands (ev): -12.2074 -12.2074 -12.1799 -12.1799 -10.5770 -10.5770 -10.0622 -10.0622 -9.6919 -9.6919 -9.6609 -9.6609 -9.5094 -9.5094 -9.4736 -9.4736 -3.9377 -3.9377 -3.7403 -3.7403 -3.5328 -3.5328 -2.8461 -2.8461 -2.6424 -2.6424 -2.3014 -2.3014 -2.2668 -2.2668 -2.1748 -2.1748 -2.1453 -2.1453 -2.0080 -2.0080 -1.4205 -1.4205 -1.3997 -1.3997 -1.3495 -1.3495 -1.3361 -1.3361 -0.9873 -0.9873 -0.9406 -0.9405 k =-0.4020 0.5156-0.0000 ( 9376 PWs) bands (ev): -12.2074 -12.2074 -12.1799 -12.1799 -10.5770 -10.5770 -10.0622 -10.0622 -9.6919 -9.6919 -9.6609 -9.6609 -9.5094 -9.5094 -9.4736 -9.4736 -3.9377 -3.9377 -3.7403 -3.7403 -3.5328 -3.5328 -2.8461 -2.8461 -2.6424 -2.6424 -2.3014 -2.3014 -2.2668 -2.2668 -2.1748 -2.1748 -2.1453 -2.1453 -2.0080 -2.0080 -1.4205 -1.4205 -1.3997 -1.3997 -1.3495 -1.3495 -1.3361 -1.3361 -0.9873 -0.9873 -0.9406 -0.9405 k =-0.4020 0.5156 0.0223 ( 9386 PWs) bands (ev): -12.2072 -12.2072 -12.1797 -12.1797 -10.5764 -10.5764 -10.0620 -10.0620 -9.6922 -9.6922 -9.6612 -9.6612 -9.5098 -9.5098 -9.4743 -9.4743 -3.9374 -3.9374 -3.7412 -3.7412 -3.5328 -3.5328 -2.8466 -2.8466 -2.6424 -2.6424 -2.3020 -2.3020 -2.2720 -2.2720 -2.1840 -2.1840 -2.1310 -2.1310 -2.0081 -2.0081 -1.4204 -1.4204 -1.3986 -1.3986 -1.3481 -1.3481 -1.3376 -1.3376 -0.9925 -0.9925 -0.9366 -0.9366 k =-0.4020 0.5156 0.0446 ( 9390 PWs) bands (ev): -12.2066 -12.2066 -12.1792 -12.1792 -10.5746 -10.5746 -10.0611 -10.0611 -9.6932 -9.6932 -9.6618 -9.6618 -9.5110 -9.5110 -9.4764 -9.4764 -3.9367 -3.9367 -3.7436 -3.7436 -3.5330 -3.5330 -2.8483 -2.8483 -2.6424 -2.6424 -2.3047 -2.3047 -2.2876 -2.2876 -2.1911 -2.1911 -2.1078 -2.1078 -2.0085 -2.0085 -1.4198 -1.4198 -1.3962 -1.3962 -1.3440 -1.3440 -1.3411 -1.3411 -1.0043 -1.0043 -0.9363 -0.9362 k =-0.4020 0.5156 0.0668 ( 9384 PWs) bands (ev): -12.2056 -12.2056 -12.1784 -12.1784 -10.5715 -10.5715 -10.0598 -10.0598 -9.6947 -9.6947 -9.6629 -9.6629 -9.5130 -9.5130 -9.4798 -9.4798 -3.9355 -3.9355 -3.7475 -3.7475 -3.5332 -3.5332 -2.8512 -2.8512 -2.6424 -2.6424 -2.3211 -2.3211 -2.3003 -2.3003 -2.1881 -2.1881 -2.0856 -2.0856 -2.0092 -2.0092 -1.4189 -1.4189 -1.3940 -1.3940 -1.3494 -1.3494 -1.3326 -1.3326 -1.0188 -1.0188 -0.9414 -0.9414 k =-0.4020 0.5156 0.0891 ( 9379 PWs) bands (ev): -12.2043 -12.2043 -12.1773 -12.1773 -10.5671 -10.5671 -10.0579 -10.0579 -9.6969 -9.6969 -9.6644 -9.6644 -9.5159 -9.5159 -9.4845 -9.4845 -3.9338 -3.9338 -3.7529 -3.7529 -3.5335 -3.5335 -2.8555 -2.8555 -2.6423 -2.6423 -2.3524 -2.3524 -2.3041 -2.3041 -2.1774 -2.1774 -2.0667 -2.0667 -2.0101 -2.0101 -1.4176 -1.4176 -1.3934 -1.3934 -1.3578 -1.3578 -1.3163 -1.3163 -1.0342 -1.0342 -0.9492 -0.9492 k =-0.4020 0.5156 0.1114 ( 9377 PWs) bands (ev): -12.2027 -12.2027 -12.1759 -12.1759 -10.5615 -10.5615 -10.0555 -10.0555 -9.6996 -9.6996 -9.6664 -9.6664 -9.5199 -9.5199 -9.4903 -9.4903 -3.9316 -3.9316 -3.7594 -3.7594 -3.5340 -3.5340 -2.8613 -2.8613 -2.6421 -2.6421 -2.3871 -2.3871 -2.3074 -2.3074 -2.1612 -2.1612 -2.0525 -2.0525 -2.0108 -2.0108 -1.4164 -1.4164 -1.3944 -1.3944 -1.3667 -1.3667 -1.2938 -1.2938 -1.0498 -1.0498 -0.9591 -0.9591 k =-0.4020 0.5156 0.1337 ( 9371 PWs) bands (ev): -12.2007 -12.2007 -12.1742 -12.1742 -10.5548 -10.5548 -10.0526 -10.0526 -9.7030 -9.7030 -9.6686 -9.6686 -9.5251 -9.5251 -9.4970 -9.4970 -3.9288 -3.9288 -3.7669 -3.7669 -3.5348 -3.5348 -2.8690 -2.8690 -2.6418 -2.6418 -2.4221 -2.4221 -2.3109 -2.3109 -2.1409 -2.1409 -2.0440 -2.0440 -2.0108 -2.0108 -1.4169 -1.4169 -1.3965 -1.3965 -1.3736 -1.3736 -1.2663 -1.2663 -1.0650 -1.0650 -0.9706 -0.9706 k =-0.4020 0.5156 0.1559 ( 9367 PWs) bands (ev): -12.1983 -12.1983 -12.1722 -12.1722 -10.5468 -10.5468 -10.0492 -10.0492 -9.7070 -9.7070 -9.6713 -9.6713 -9.5317 -9.5317 -9.5042 -9.5042 -3.9255 -3.9255 -3.7752 -3.7752 -3.5358 -3.5358 -2.8790 -2.8790 -2.6414 -2.6414 -2.4558 -2.4558 -2.3148 -2.3148 -2.1175 -2.1175 -2.0417 -2.0417 -2.0099 -2.0099 -1.4218 -1.4218 -1.3988 -1.3988 -1.3752 -1.3752 -1.2347 -1.2347 -1.0792 -1.0792 -0.9832 -0.9832 k =-0.4020 0.5156 0.1782 ( 9354 PWs) bands (ev): -12.1957 -12.1957 -12.1700 -12.1700 -10.5376 -10.5376 -10.0453 -10.0453 -9.7115 -9.7115 -9.6742 -9.6742 -9.5402 -9.5402 -9.5115 -9.5115 -3.9216 -3.9216 -3.7840 -3.7840 -3.5371 -3.5371 -2.8916 -2.8916 -2.6408 -2.6408 -2.4873 -2.4873 -2.3189 -2.3189 -2.0921 -2.0921 -2.0439 -2.0439 -2.0093 -2.0093 -1.4320 -1.4320 -1.4008 -1.4008 -1.3702 -1.3702 -1.2002 -1.2002 -1.0919 -1.0919 -0.9965 -0.9965 k =-0.4020 0.5156 0.2005 ( 9351 PWs) bands (ev): -12.1927 -12.1927 -12.1676 -12.1676 -10.5272 -10.5272 -10.0409 -10.0409 -9.7165 -9.7165 -9.6773 -9.6773 -9.5506 -9.5506 -9.5187 -9.5187 -3.9170 -3.9170 -3.7930 -3.7930 -3.5390 -3.5390 -2.9073 -2.9073 -2.6400 -2.6400 -2.5155 -2.5155 -2.3231 -2.3231 -2.0679 -2.0679 -2.0473 -2.0473 -2.0099 -2.0099 -1.4457 -1.4457 -1.4022 -1.4022 -1.3601 -1.3601 -1.1639 -1.1639 -1.1028 -1.1028 -1.0098 -1.0098 k =-0.4020 0.5156 0.2228 ( 9341 PWs) bands (ev): -12.1896 -12.1896 -12.1649 -12.1649 -10.5157 -10.5157 -10.0361 -10.0361 -9.7221 -9.7221 -9.6806 -9.6806 -9.5630 -9.5630 -9.5258 -9.5258 -3.9118 -3.9118 -3.8020 -3.8020 -3.5413 -3.5413 -2.9264 -2.9264 -2.6390 -2.6390 -2.5398 -2.5398 -2.3272 -2.3272 -2.0621 -2.0621 -2.0383 -2.0383 -2.0080 -2.0080 -1.4615 -1.4615 -1.4027 -1.4027 -1.3465 -1.3465 -1.1270 -1.1270 -1.1114 -1.1114 -1.0228 -1.0228 k =-0.4020 0.5156 0.2450 ( 9336 PWs) bands (ev): -12.1861 -12.1861 -12.1621 -12.1621 -10.5030 -10.5030 -10.0310 -10.0310 -9.7282 -9.7282 -9.6841 -9.6841 -9.5773 -9.5773 -9.5327 -9.5327 -3.9059 -3.9059 -3.8109 -3.8109 -3.5442 -3.5442 -2.9488 -2.9488 -2.6378 -2.6378 -2.5598 -2.5598 -2.3310 -2.3310 -2.0699 -2.0699 -2.0352 -2.0352 -1.9907 -1.9907 -1.4786 -1.4786 -1.4022 -1.4022 -1.3303 -1.3303 -1.1176 -1.1176 -1.0907 -1.0907 -1.0347 -1.0347 k =-0.4020 0.5156 0.2673 ( 9350 PWs) bands (ev): -12.1825 -12.1825 -12.1592 -12.1592 -10.4892 -10.4892 -10.0254 -10.0254 -9.7348 -9.7348 -9.6876 -9.6876 -9.5932 -9.5932 -9.5397 -9.5397 -3.8993 -3.8993 -3.8193 -3.8193 -3.5478 -3.5478 -2.9746 -2.9746 -2.6365 -2.6365 -2.5755 -2.5755 -2.3343 -2.3343 -2.0799 -2.0799 -2.0437 -2.0437 -1.9633 -1.9633 -1.4965 -1.4965 -1.4008 -1.4008 -1.3124 -1.3124 -1.1205 -1.1205 -1.0593 -1.0593 -1.0438 -1.0438 k =-0.4020 0.5156 0.2896 ( 9345 PWs) bands (ev): -12.1787 -12.1787 -12.1561 -12.1561 -10.4744 -10.4744 -10.0195 -10.0195 -9.7418 -9.7418 -9.6911 -9.6911 -9.6106 -9.6106 -9.5468 -9.5468 -3.8919 -3.8919 -3.8271 -3.8271 -3.5522 -3.5522 -3.0033 -3.0033 -2.6351 -2.6351 -2.5870 -2.5870 -2.3370 -2.3370 -2.0910 -2.0910 -2.0564 -2.0564 -1.9345 -1.9345 -1.5150 -1.5150 -1.3988 -1.3988 -1.2937 -1.2937 -1.1197 -1.1197 -1.0563 -1.0563 -1.0302 -1.0302 k =-0.4020 0.5156 0.3119 ( 9341 PWs) bands (ev): -12.1748 -12.1748 -12.1530 -12.1530 -10.4584 -10.4584 -10.0133 -10.0133 -9.7492 -9.7492 -9.6945 -9.6945 -9.6293 -9.6293 -9.5540 -9.5540 -3.8837 -3.8837 -3.8341 -3.8341 -3.5573 -3.5573 -3.0344 -3.0344 -2.6336 -2.6336 -2.5947 -2.5947 -2.3388 -2.3388 -2.1033 -2.1033 -2.0708 -2.0708 -1.9067 -1.9067 -1.5340 -1.5340 -1.3964 -1.3964 -1.2750 -1.2750 -1.1147 -1.1147 -1.0623 -1.0623 -1.0211 -1.0211 k =-0.4020 0.5156 0.3341 ( 9349 PWs) bands (ev): -12.1707 -12.1707 -12.1498 -12.1498 -10.4415 -10.4415 -10.0068 -10.0068 -9.7569 -9.7569 -9.6978 -9.6978 -9.6492 -9.6492 -9.5613 -9.5613 -3.8747 -3.8747 -3.8403 -3.8403 -3.5633 -3.5633 -3.0673 -3.0673 -2.6321 -2.6321 -2.5993 -2.5993 -2.3397 -2.3397 -2.1173 -2.1173 -2.0849 -2.0849 -1.8810 -1.8810 -1.5531 -1.5531 -1.3942 -1.3942 -1.2573 -1.2573 -1.1048 -1.1048 -1.0660 -1.0660 -1.0293 -1.0293 k =-0.4020 0.5156 0.3564 ( 9349 PWs) bands (ev): -12.1666 -12.1666 -12.1466 -12.1466 -10.4235 -10.4235 -10.0001 -10.0001 -9.7650 -9.7650 -9.7009 -9.7009 -9.6702 -9.6702 -9.5688 -9.5688 -3.8650 -3.8650 -3.8453 -3.8453 -3.5702 -3.5702 -3.1014 -3.1014 -2.6307 -2.6307 -2.6011 -2.6011 -2.3397 -2.3397 -2.1339 -2.1339 -2.0971 -2.0971 -1.8583 -1.8583 -1.5723 -1.5723 -1.3927 -1.3927 -1.2415 -1.2415 -1.0898 -1.0898 -1.0666 -1.0666 -1.0471 -1.0471 k =-0.4020 0.5156 0.3787 ( 9360 PWs) bands (ev): -12.1625 -12.1625 -12.1435 -12.1435 -10.4046 -10.4046 -9.9932 -9.9932 -9.7733 -9.7733 -9.7037 -9.7037 -9.6922 -9.6922 -9.5765 -9.5765 -3.8545 -3.8545 -3.8492 -3.8492 -3.5779 -3.5779 -3.1362 -3.1362 -2.6292 -2.6292 -2.6007 -2.6007 -2.3386 -2.3386 -2.1529 -2.1529 -2.1065 -2.1065 -1.8396 -1.8396 -1.5912 -1.5912 -1.3928 -1.3928 -1.2276 -1.2276 -1.0704 -1.0704 -1.0683 -1.0683 -1.0629 -1.0629 k =-0.4020 0.5156 0.4010 ( 9359 PWs) bands (ev): -12.1584 -12.1584 -12.1404 -12.1404 -10.3847 -10.3847 -9.9861 -9.9861 -9.7819 -9.7819 -9.7151 -9.7151 -9.7061 -9.7061 -9.5843 -9.5843 -3.8522 -3.8522 -3.8429 -3.8429 -3.5864 -3.5864 -3.1714 -3.1714 -2.6278 -2.6278 -2.5987 -2.5987 -2.3365 -2.3365 -2.1735 -2.1735 -2.1130 -2.1130 -1.8254 -1.8254 -1.6096 -1.6096 -1.3952 -1.3952 -1.2153 -1.2153 -1.0881 -1.0881 -1.0575 -1.0575 -1.0458 -1.0458 k =-0.4020 0.5156 0.4232 ( 9361 PWs) bands (ev): -12.1543 -12.1543 -12.1374 -12.1374 -10.3639 -10.3639 -9.9788 -9.9788 -9.7907 -9.7907 -9.7387 -9.7387 -9.7081 -9.7081 -9.5923 -9.5923 -3.8537 -3.8537 -3.8307 -3.8307 -3.5957 -3.5957 -3.2066 -3.2066 -2.6263 -2.6263 -2.5955 -2.5955 -2.3337 -2.3337 -2.1948 -2.1948 -2.1168 -2.1168 -1.8163 -1.8163 -1.6272 -1.6272 -1.4009 -1.4009 -1.2041 -1.2041 -1.1045 -1.1045 -1.0490 -1.0490 -1.0186 -1.0186 k =-0.4020 0.5156 0.4455 ( 9359 PWs) bands (ev): -12.1503 -12.1503 -12.1346 -12.1346 -10.3423 -10.3423 -9.9715 -9.9715 -9.7998 -9.7998 -9.7629 -9.7629 -9.7096 -9.7096 -9.6003 -9.6003 -3.8539 -3.8539 -3.8179 -3.8179 -3.6055 -3.6055 -3.2416 -3.2416 -2.6248 -2.6248 -2.5914 -2.5914 -2.3301 -2.3301 -2.2158 -2.2158 -2.1182 -2.1182 -1.8123 -1.8123 -1.6436 -1.6436 -1.4107 -1.4107 -1.1933 -1.1933 -1.1157 -1.1157 -1.0386 -1.0386 -0.9892 -0.9892 k =-0.4020 0.5156 0.4678 ( 9361 PWs) bands (ev): -12.1464 -12.1464 -12.1319 -12.1319 -10.3199 -10.3199 -9.9641 -9.9641 -9.8096 -9.8096 -9.7871 -9.7871 -9.7105 -9.7105 -9.6083 -9.6083 -3.8528 -3.8528 -3.8045 -3.8045 -3.6157 -3.6157 -3.2761 -3.2761 -2.6232 -2.6232 -2.5870 -2.5870 -2.3262 -2.3262 -2.2361 -2.2361 -2.1169 -2.1169 -1.8134 -1.8134 -1.6586 -1.6586 -1.4250 -1.4250 -1.1827 -1.1827 -1.1208 -1.1208 -1.0277 -1.0277 -0.9588 -0.9588 k =-0.4020 0.5156 0.4901 ( 9353 PWs) bands (ev): -12.1427 -12.1427 -12.1295 -12.1295 -10.2967 -10.2967 -9.9567 -9.9567 -9.8227 -9.8227 -9.8087 -9.8087 -9.7109 -9.7109 -9.6164 -9.6164 -3.8504 -3.8504 -3.7908 -3.7908 -3.6260 -3.6260 -3.3099 -3.3099 -2.6215 -2.6215 -2.5825 -2.5825 -2.3222 -2.3222 -2.2549 -2.2549 -2.1131 -2.1131 -1.8191 -1.8191 -1.6718 -1.6718 -1.4438 -1.4438 -1.1718 -1.1718 -1.1196 -1.1196 -1.0177 -1.0177 -0.9280 -0.9279 k =-0.4020 0.5156 0.5124 ( 9351 PWs) bands (ev): -12.1392 -12.1392 -12.1273 -12.1273 -10.2728 -10.2728 -9.9493 -9.9493 -9.8444 -9.8444 -9.8221 -9.8221 -9.7105 -9.7105 -9.6245 -9.6245 -3.8467 -3.8467 -3.7772 -3.7772 -3.6358 -3.6358 -3.3431 -3.3431 -2.6195 -2.6195 -2.5784 -2.5784 -2.3184 -2.3184 -2.2717 -2.2717 -2.1068 -2.1068 -1.8288 -1.8288 -1.6827 -1.6827 -1.4660 -1.4660 -1.1605 -1.1605 -1.1128 -1.1128 -1.0100 -1.0100 -0.8977 -0.8977 k =-0.4020 0.5156 0.5346 ( 9342 PWs) bands (ev): -12.1359 -12.1359 -12.1254 -12.1254 -10.2482 -10.2482 -9.9419 -9.9419 -9.8701 -9.8701 -9.8319 -9.8319 -9.7095 -9.7095 -9.6325 -9.6325 -3.8417 -3.8417 -3.7645 -3.7645 -3.6441 -3.6441 -3.3754 -3.3754 -2.6171 -2.6171 -2.5752 -2.5752 -2.3151 -2.3151 -2.2861 -2.2861 -2.0980 -2.0980 -1.8421 -1.8421 -1.6911 -1.6911 -1.4908 -1.4908 -1.1489 -1.1489 -1.1014 -1.1014 -1.0058 -1.0058 -0.8697 -0.8697 k =-0.4020 0.5156 0.5569 ( 9332 PWs) bands (ev): -12.1328 -12.1328 -12.1238 -12.1238 -10.2231 -10.2231 -9.9344 -9.9344 -9.8968 -9.8968 -9.8409 -9.8409 -9.7077 -9.7077 -9.6405 -9.6405 -3.8355 -3.8355 -3.7539 -3.7539 -3.6496 -3.6496 -3.4068 -3.4068 -2.6144 -2.6144 -2.5731 -2.5731 -2.3127 -2.3127 -2.2977 -2.2977 -2.0868 -2.0868 -1.8581 -1.8581 -1.6965 -1.6965 -1.5169 -1.5169 -1.1368 -1.1368 -1.0866 -1.0866 -1.0054 -1.0054 -0.8506 -0.8506 k =-0.4020 0.5156 0.5792 ( 9354 PWs) bands (ev): -12.1301 -12.1301 -12.1225 -12.1225 -10.1974 -10.1974 -9.9271 -9.9271 -9.9241 -9.9241 -9.8495 -9.8495 -9.7053 -9.7053 -9.6483 -9.6483 -3.8283 -3.8283 -3.7476 -3.7476 -3.6501 -3.6501 -3.4372 -3.4372 -2.6111 -2.6111 -2.5724 -2.5724 -2.3121 -2.3121 -2.3057 -2.3057 -2.0734 -2.0734 -1.8762 -1.8762 -1.6987 -1.6987 -1.5434 -1.5434 -1.1243 -1.1243 -1.0693 -1.0693 -1.0085 -1.0085 -0.8570 -0.8570 k =-0.4020 0.5156 0.6015 ( 9344 PWs) bands (ev): -12.1277 -12.1277 -12.1216 -12.1216 -10.1712 -10.1712 -9.9516 -9.9516 -9.9196 -9.9196 -9.8579 -9.8579 -9.7021 -9.7021 -9.6558 -9.6558 -3.8200 -3.8200 -3.7470 -3.7470 -3.6440 -3.6440 -3.4665 -3.4665 -2.6074 -2.6074 -2.5733 -2.5733 -2.3148 -2.3148 -2.3084 -2.3084 -2.0580 -2.0580 -1.8960 -1.8960 -1.6975 -1.6975 -1.5695 -1.5695 -1.1115 -1.1115 -1.0508 -1.0508 -1.0139 -1.0139 -0.8753 -0.8753 k =-0.4020 0.5156 0.6237 ( 9346 PWs) bands (ev): -12.1256 -12.1256 -12.1210 -12.1210 -10.1445 -10.1445 -9.9794 -9.9794 -9.9122 -9.9122 -9.8661 -9.8661 -9.6982 -9.6982 -9.6631 -9.6631 -3.8108 -3.8108 -3.7515 -3.7515 -3.6317 -3.6317 -3.4948 -3.4948 -2.6031 -2.6031 -2.5756 -2.5756 -2.3177 -2.3177 -2.3094 -2.3094 -2.0408 -2.0408 -1.9168 -1.9168 -1.6926 -1.6926 -1.5944 -1.5944 -1.0985 -1.0985 -1.0351 -1.0351 -1.0176 -1.0176 -0.8959 -0.8959 k =-0.4020 0.5156 0.6460 ( 9339 PWs) bands (ev): -12.1239 -12.1239 -12.1208 -12.1208 -10.1175 -10.1175 -10.0072 -10.0072 -9.9048 -9.9048 -9.8741 -9.8741 -9.6937 -9.6937 -9.6701 -9.6701 -3.8009 -3.8009 -3.7594 -3.7594 -3.6147 -3.6147 -3.5219 -3.5219 -2.5985 -2.5985 -2.5791 -2.5791 -2.3189 -2.3189 -2.3106 -2.3106 -2.0221 -2.0221 -1.9382 -1.9382 -1.6842 -1.6842 -1.6176 -1.6176 -1.0854 -1.0854 -1.0374 -1.0374 -1.0041 -1.0041 -0.9174 -0.9174 k =-0.4020 0.5156 0.6683 ( 9326 PWs) bands (ev): -12.1225 -12.1225 -12.1210 -12.1210 -10.0902 -10.0902 -10.0349 -10.0349 -9.8972 -9.8972 -9.8819 -9.8819 -9.6886 -9.6886 -9.6767 -9.6767 -3.7904 -3.7904 -3.7692 -3.7692 -3.5944 -3.5944 -3.5476 -3.5476 -2.5935 -2.5935 -2.5835 -2.5835 -2.3188 -2.3188 -2.3120 -2.3120 -2.0022 -2.0022 -1.9598 -1.9598 -1.6723 -1.6723 -1.6385 -1.6385 -1.0725 -1.0725 -1.0477 -1.0477 -0.9833 -0.9833 -0.9393 -0.9393 k =-0.4020 0.5156 0.6906 ( 9324 PWs) bands (ev): -12.1216 -12.1216 -12.1216 -12.1216 -10.0627 -10.0627 -10.0626 -10.0626 -9.8897 -9.8897 -9.8896 -9.8896 -9.6829 -9.6829 -9.6829 -9.6829 -3.7801 -3.7801 -3.7794 -3.7794 -3.5724 -3.5724 -3.5715 -3.5715 -2.5888 -2.5888 -2.5880 -2.5880 -2.3186 -2.3186 -2.3127 -2.3127 -1.9833 -1.9833 -1.9792 -1.9792 -1.6586 -1.6586 -1.6552 -1.6552 -1.0615 -1.0615 -1.0580 -1.0580 -0.9632 -0.9632 -0.9597 -0.9597 k =-0.4020 0.5156 0.6906 ( 9324 PWs) bands (ev): -12.1216 -12.1216 -12.1216 -12.1216 -10.0627 -10.0627 -10.0626 -10.0626 -9.8897 -9.8897 -9.8896 -9.8896 -9.6829 -9.6829 -9.6829 -9.6829 -3.7801 -3.7801 -3.7794 -3.7794 -3.5724 -3.5724 -3.5715 -3.5715 -2.5888 -2.5888 -2.5880 -2.5880 -2.3186 -2.3186 -2.3127 -2.3127 -1.9833 -1.9833 -1.9792 -1.9792 -1.6586 -1.6586 -1.6552 -1.6552 -1.0615 -1.0615 -1.0580 -1.0580 -0.9632 -0.9632 -0.9597 -0.9597 k =-0.4160 0.4976 0.6906 ( 9340 PWs) bands (ev): -12.1213 -12.1213 -12.1213 -12.1213 -10.0632 -10.0632 -10.0632 -10.0632 -9.8781 -9.8781 -9.8781 -9.8781 -9.6961 -9.6961 -9.6961 -9.6961 -3.7830 -3.7830 -3.7824 -3.7824 -3.5575 -3.5575 -3.5567 -3.5567 -2.5889 -2.5889 -2.5886 -2.5886 -2.2949 -2.2949 -2.2889 -2.2889 -1.9642 -1.9642 -1.9585 -1.9585 -1.7003 -1.7003 -1.6983 -1.6983 -1.0727 -1.0727 -1.0694 -1.0694 -0.9776 -0.9776 -0.9742 -0.9742 k =-0.4300 0.4796 0.6906 ( 9338 PWs) bands (ev): -12.1211 -12.1211 -12.1211 -12.1211 -10.0640 -10.0640 -10.0640 -10.0640 -9.8656 -9.8656 -9.8656 -9.8656 -9.7096 -9.7096 -9.7096 -9.7096 -3.7856 -3.7856 -3.7852 -3.7852 -3.5446 -3.5446 -3.5439 -3.5439 -2.5890 -2.5890 -2.5890 -2.5890 -2.2707 -2.2707 -2.2647 -2.2647 -1.9482 -1.9482 -1.9408 -1.9408 -1.7383 -1.7383 -1.7380 -1.7380 -1.0832 -1.0832 -1.0802 -1.0802 -0.9897 -0.9897 -0.9865 -0.9865 k =-0.4440 0.4617 0.6906 ( 9350 PWs) bands (ev): -12.1210 -12.1210 -12.1210 -12.1210 -10.0649 -10.0649 -10.0649 -10.0649 -9.8526 -9.8526 -9.8525 -9.8525 -9.7232 -9.7232 -9.7232 -9.7232 -3.7879 -3.7879 -3.7876 -3.7876 -3.5339 -3.5339 -3.5333 -3.5333 -2.5891 -2.5891 -2.5889 -2.5889 -2.2469 -2.2469 -2.2411 -2.2411 -1.9361 -1.9361 -1.9270 -1.9270 -1.7731 -1.7731 -1.7713 -1.7713 -1.0925 -1.0925 -1.0899 -1.0899 -0.9994 -0.9994 -0.9966 -0.9966 k =-0.4580 0.4437 0.6906 ( 9336 PWs) bands (ev): -12.1208 -12.1208 -12.1208 -12.1208 -10.0658 -10.0658 -10.0658 -10.0658 -9.8394 -9.8394 -9.8394 -9.8394 -9.7367 -9.7367 -9.7367 -9.7367 -3.7897 -3.7897 -3.7895 -3.7895 -3.5254 -3.5254 -3.5249 -3.5249 -2.5890 -2.5890 -2.5888 -2.5888 -2.2247 -2.2247 -2.2195 -2.2195 -1.9286 -1.9286 -1.9184 -1.9184 -1.8015 -1.8015 -1.7977 -1.7977 -1.1002 -1.1002 -1.0982 -1.0982 -1.0067 -1.0067 -1.0045 -1.0045 k =-0.4720 0.4258 0.6906 ( 9338 PWs) bands (ev): -12.1207 -12.1207 -12.1207 -12.1207 -10.0664 -10.0664 -10.0664 -10.0664 -9.8269 -9.8269 -9.8268 -9.8268 -9.7494 -9.7494 -9.7494 -9.7494 -3.7910 -3.7910 -3.7909 -3.7909 -3.5193 -3.5193 -3.5190 -3.5190 -2.5888 -2.5888 -2.5886 -2.5886 -2.2059 -2.2059 -2.2017 -2.2017 -1.9256 -1.9256 -1.9161 -1.9161 -1.8208 -1.8208 -1.8162 -1.8162 -1.1060 -1.1060 -1.1046 -1.1046 -1.0118 -1.0118 -1.0102 -1.0102 k =-0.4860 0.4078 0.6906 ( 9346 PWs) bands (ev): -12.1207 -12.1207 -12.1207 -12.1207 -10.0669 -10.0669 -10.0669 -10.0669 -9.8165 -9.8165 -9.8165 -9.8165 -9.7598 -9.7598 -9.7598 -9.7598 -3.7918 -3.7918 -3.7917 -3.7917 -3.5156 -3.5156 -3.5154 -3.5154 -2.5886 -2.5886 -2.5885 -2.5885 -2.1925 -2.1925 -2.1902 -2.1902 -1.9248 -1.9248 -1.9190 -1.9190 -1.8300 -1.8300 -1.8270 -1.8270 -1.1094 -1.1094 -1.1087 -1.1087 -1.0146 -1.0146 -1.0138 -1.0138 k =-0.5000 0.3899 0.6906 ( 9348 PWs) bands (ev): -12.1207 -12.1207 -12.1207 -12.1207 -10.0670 -10.0670 -10.0670 -10.0670 -9.8120 -9.8120 -9.8120 -9.8120 -9.7643 -9.7643 -9.7643 -9.7643 -3.7920 -3.7920 -3.7920 -3.7920 -3.5143 -3.5143 -3.5143 -3.5143 -2.5885 -2.5885 -2.5885 -2.5885 -2.1869 -2.1869 -2.1869 -2.1869 -1.9230 -1.9230 -1.9230 -1.9230 -1.8315 -1.8315 -1.8315 -1.8315 -1.1103 -1.1103 -1.1103 -1.1103 -1.0153 -1.0153 -1.0153 -1.0153 k =-0.5000 0.3899 0.6906 ( 9348 PWs) bands (ev): -12.1207 -12.1207 -12.1207 -12.1207 -10.0670 -10.0670 -10.0670 -10.0670 -9.8120 -9.8120 -9.8120 -9.8120 -9.7643 -9.7643 -9.7643 -9.7643 -3.7920 -3.7920 -3.7920 -3.7920 -3.5143 -3.5143 -3.5143 -3.5143 -2.5885 -2.5885 -2.5885 -2.5885 -2.1869 -2.1869 -2.1869 -2.1869 -1.9230 -1.9230 -1.9230 -1.9230 -1.8315 -1.8315 -1.8315 -1.8315 -1.1103 -1.1103 -1.1103 -1.1103 -1.0153 -1.0153 -1.0153 -1.0153 k =-0.5000 0.3899 0.6683 ( 9342 PWs) bands (ev): -12.1221 -12.1221 -12.1196 -12.1196 -10.0945 -10.0945 -10.0394 -10.0394 -9.8118 -9.8118 -9.8116 -9.8116 -9.7793 -9.7793 -9.7494 -9.7494 -3.8040 -3.8040 -3.7792 -3.7792 -3.5327 -3.5327 -3.4953 -3.4953 -2.5980 -2.5980 -2.5800 -2.5800 -2.2090 -2.2090 -2.1634 -2.1634 -1.9408 -1.9408 -1.9041 -1.9041 -1.8369 -1.8369 -1.8239 -1.8239 -1.1227 -1.1227 -1.1027 -1.1027 -1.0229 -1.0229 -1.0014 -1.0014 k =-0.5000 0.3899 0.6460 ( 9348 PWs) bands (ev): -12.1240 -12.1240 -12.1189 -12.1189 -10.1217 -10.1217 -10.0116 -10.0116 -9.8108 -9.8108 -9.8106 -9.8106 -9.7943 -9.7943 -9.7346 -9.7346 -3.8151 -3.8151 -3.7657 -3.7657 -3.5505 -3.5505 -3.4756 -3.4756 -2.6085 -2.6085 -2.5727 -2.5727 -2.2297 -2.2297 -2.1388 -2.1388 -1.9573 -1.9573 -1.8849 -1.8849 -1.8398 -1.8398 -1.8144 -1.8144 -1.1372 -1.1372 -1.1025 -1.1025 -1.0216 -1.0216 -0.9842 -0.9842 k =-0.5000 0.3899 0.6237 ( 9358 PWs) bands (ev): -12.1262 -12.1262 -12.1186 -12.1186 -10.1486 -10.1486 -9.9838 -9.9838 -9.8096 -9.8096 -9.8090 -9.8090 -9.8089 -9.8089 -9.7200 -9.7200 -3.8251 -3.8251 -3.7515 -3.7515 -3.5679 -3.5679 -3.4551 -3.4551 -2.6196 -2.6196 -2.5668 -2.5668 -2.2486 -2.2486 -2.1137 -2.1137 -1.9723 -1.9723 -1.8674 -1.8674 -1.8382 -1.8382 -1.8031 -1.8031 -1.1523 -1.1523 -1.1089 -1.1089 -1.0122 -1.0122 -0.9650 -0.9650 k =-0.5000 0.3899 0.6015 ( 9360 PWs) bands (ev): -12.1287 -12.1287 -12.1187 -12.1187 -10.1751 -10.1751 -9.9561 -9.9561 -9.8242 -9.8242 -9.8071 -9.8071 -9.8065 -9.8065 -9.7055 -9.7055 -3.8340 -3.8340 -3.7369 -3.7369 -3.5848 -3.5848 -3.4337 -3.4337 -2.6311 -2.6311 -2.5623 -2.5623 -2.2656 -2.2656 -2.0884 -2.0884 -1.9854 -1.9854 -1.8570 -1.8570 -1.8269 -1.8269 -1.7903 -1.7903 -1.1673 -1.1673 -1.1184 -1.1184 -0.9980 -0.9980 -0.9447 -0.9446 k =-0.5000 0.3899 0.5792 ( 9360 PWs) bands (ev): -12.1316 -12.1316 -12.1191 -12.1191 -10.2011 -10.2011 -9.9284 -9.9284 -9.8390 -9.8390 -9.8043 -9.8043 -9.8036 -9.8036 -9.6913 -9.6913 -3.8418 -3.8418 -3.7219 -3.7219 -3.6015 -3.6015 -3.4113 -3.4113 -2.6428 -2.6428 -2.5592 -2.5592 -2.2807 -2.2807 -2.0642 -2.0642 -1.9958 -1.9958 -1.8534 -1.8534 -1.8070 -1.8070 -1.7760 -1.7760 -1.1819 -1.1819 -1.1282 -1.1282 -0.9816 -0.9816 -0.9235 -0.9235 k =-0.5000 0.3899 0.5569 ( 9356 PWs) bands (ev): -12.1347 -12.1347 -12.1198 -12.1198 -10.2267 -10.2267 -9.9009 -9.9009 -9.8537 -9.8537 -9.8009 -9.8009 -9.8000 -9.8000 -9.6773 -9.6773 -3.8483 -3.8483 -3.7067 -3.7067 -3.6179 -3.6179 -3.3878 -3.3878 -2.6545 -2.6545 -2.5574 -2.5574 -2.2937 -2.2937 -2.0441 -2.0441 -2.0009 -2.0009 -1.8516 -1.8516 -1.7837 -1.7837 -1.7605 -1.7605 -1.1956 -1.1956 -1.1371 -1.1371 -0.9644 -0.9644 -0.9020 -0.9019 k =-0.5000 0.3899 0.5346 ( 9348 PWs) bands (ev): -12.1382 -12.1382 -12.1210 -12.1210 -10.2517 -10.2517 -9.8738 -9.8738 -9.8681 -9.8681 -9.7969 -9.7969 -9.7959 -9.7959 -9.6636 -9.6636 -3.8535 -3.8535 -3.6914 -3.6914 -3.6341 -3.6341 -3.3631 -3.3631 -2.6659 -2.6659 -2.5569 -2.5569 -2.3048 -2.3048 -2.0354 -2.0354 -1.9935 -1.9935 -1.8504 -1.8504 -1.7590 -1.7590 -1.7438 -1.7438 -1.2085 -1.2085 -1.1441 -1.1441 -0.9471 -0.9471 -0.8802 -0.8800 k =-0.5000 0.3899 0.5124 ( 9340 PWs) bands (ev): -12.1419 -12.1419 -12.1224 -12.1224 -10.2760 -10.2760 -9.8824 -9.8824 -9.8470 -9.8470 -9.7924 -9.7924 -9.7913 -9.7913 -9.6503 -9.6503 -3.8574 -3.8574 -3.6762 -3.6762 -3.6500 -3.6500 -3.3373 -3.3373 -2.6768 -2.6768 -2.5574 -2.5574 -2.3138 -2.3138 -2.0371 -2.0371 -1.9755 -1.9755 -1.8501 -1.8501 -1.7343 -1.7343 -1.7254 -1.7254 -1.2201 -1.2201 -1.1487 -1.1487 -0.9302 -0.9302 -0.9038 -0.9038 k =-0.5000 0.3899 0.4901 ( 9334 PWs) bands (ev): -12.1458 -12.1458 -12.1241 -12.1241 -10.2997 -10.2997 -9.8964 -9.8964 -9.8209 -9.8209 -9.7872 -9.7872 -9.7863 -9.7863 -9.6373 -9.6373 -3.8600 -3.8600 -3.6658 -3.6658 -3.6611 -3.6611 -3.3101 -3.3101 -2.6870 -2.6870 -2.5588 -2.5588 -2.3209 -2.3209 -2.0411 -2.0411 -1.9552 -1.9552 -1.8509 -1.8509 -1.7123 -1.7123 -1.7028 -1.7028 -1.2305 -1.2305 -1.1504 -1.1504 -0.9346 -0.9346 -0.9144 -0.9144 k =-0.5000 0.3899 0.4678 ( 9330 PWs) bands (ev): -12.1499 -12.1499 -12.1260 -12.1260 -10.3227 -10.3227 -9.9100 -9.9100 -9.7967 -9.7967 -9.7808 -9.7808 -9.7803 -9.7803 -9.6247 -9.6247 -3.8612 -3.8612 -3.6813 -3.6813 -3.6464 -3.6464 -3.2817 -3.2817 -2.6963 -2.6963 -2.5609 -2.5609 -2.3262 -2.3262 -2.0446 -2.0446 -1.9361 -1.9361 -1.8535 -1.8535 -1.6930 -1.6930 -1.6766 -1.6766 -1.2395 -1.2395 -1.1489 -1.1489 -0.9669 -0.9669 -0.9312 -0.9312 k =-0.5000 0.3899 0.4455 ( 9346 PWs) bands (ev): -12.1541 -12.1541 -12.1282 -12.1282 -10.3449 -10.3449 -9.9234 -9.9234 -9.7811 -9.7811 -9.7750 -9.7750 -9.7649 -9.7649 -9.6126 -9.6126 -3.8612 -3.8612 -3.6966 -3.6966 -3.6322 -3.6322 -3.2518 -3.2518 -2.7046 -2.7046 -2.5634 -2.5634 -2.3296 -2.3296 -2.0471 -2.0471 -1.9191 -1.9191 -1.8585 -1.8585 -1.6743 -1.6743 -1.6492 -1.6492 -1.2470 -1.2470 -1.1439 -1.1439 -1.0004 -1.0004 -0.9492 -0.9492 k =-0.5000 0.3899 0.4232 ( 9334 PWs) bands (ev): -12.1585 -12.1585 -12.1305 -12.1305 -10.3664 -10.3664 -9.9363 -9.9363 -9.7737 -9.7737 -9.7689 -9.7689 -9.7418 -9.7418 -9.6008 -9.6008 -3.8598 -3.8598 -3.7116 -3.7116 -3.6185 -3.6185 -3.2206 -3.2206 -2.7118 -2.7118 -2.5662 -2.5662 -2.3315 -2.3315 -2.0484 -2.0484 -1.9051 -1.9051 -1.8662 -1.8662 -1.6556 -1.6556 -1.6216 -1.6216 -1.2527 -1.2527 -1.1354 -1.1354 -1.0346 -1.0346 -0.9646 -0.9646 k =-0.5000 0.3899 0.4010 ( 9354 PWs) bands (ev): -12.1629 -12.1629 -12.1330 -12.1330 -10.3870 -10.3870 -9.9488 -9.9488 -9.7674 -9.7674 -9.7626 -9.7626 -9.7181 -9.7181 -9.5896 -9.5896 -3.8571 -3.8571 -3.7264 -3.7264 -3.6054 -3.6054 -3.1881 -3.1881 -2.7176 -2.7176 -2.5691 -2.5691 -2.3319 -2.3319 -2.0484 -2.0484 -1.8946 -1.8946 -1.8768 -1.8768 -1.6371 -1.6371 -1.5940 -1.5940 -1.2567 -1.2567 -1.1235 -1.1235 -1.0691 -1.0691 -0.9771 -0.9771 k =-0.5000 0.3899 0.3787 ( 9354 PWs) bands (ev): -12.1673 -12.1673 -12.1357 -12.1357 -10.4066 -10.4066 -9.9608 -9.9608 -9.7612 -9.7612 -9.7561 -9.7561 -9.6949 -9.6949 -9.5789 -9.5789 -3.8532 -3.8532 -3.7408 -3.7408 -3.5932 -3.5932 -3.1541 -3.1541 -2.7222 -2.7222 -2.5719 -2.5719 -2.3311 -2.3311 -2.0473 -2.0473 -1.8938 -1.8938 -1.8844 -1.8844 -1.6187 -1.6187 -1.5667 -1.5667 -1.2588 -1.2588 -1.1084 -1.1084 -1.1033 -1.1033 -0.9867 -0.9867 k =-0.5000 0.3899 0.3564 ( 9366 PWs) bands (ev): -12.1718 -12.1718 -12.1384 -12.1384 -10.4254 -10.4254 -9.9724 -9.9724 -9.7550 -9.7550 -9.7496 -9.7496 -9.6725 -9.6725 -9.5686 -9.5686 -3.8482 -3.8482 -3.7548 -3.7548 -3.5818 -3.5818 -3.1188 -3.1188 -2.7253 -2.7253 -2.5743 -2.5743 -2.3291 -2.3291 -2.0453 -2.0453 -1.9105 -1.9105 -1.8816 -1.8816 -1.6007 -1.6007 -1.5401 -1.5401 -1.2590 -1.2590 -1.1373 -1.1373 -1.0906 -1.0906 -0.9934 -0.9934 k =-0.5000 0.3899 0.3341 ( 9368 PWs) bands (ev): -12.1761 -12.1761 -12.1412 -12.1412 -10.4432 -10.4432 -9.9834 -9.9834 -9.7489 -9.7489 -9.7430 -9.7430 -9.6510 -9.6510 -9.5589 -9.5589 -3.8422 -3.8422 -3.7683 -3.7683 -3.5712 -3.5712 -3.0823 -3.0823 -2.7271 -2.7271 -2.5763 -2.5763 -2.3262 -2.3262 -2.0426 -2.0426 -1.9314 -1.9314 -1.8811 -1.8811 -1.5832 -1.5832 -1.5143 -1.5143 -1.2570 -1.2570 -1.1700 -1.1700 -1.0716 -1.0716 -0.9975 -0.9975 k =-0.5000 0.3899 0.3119 ( 9360 PWs) bands (ev): -12.1804 -12.1804 -12.1440 -12.1440 -10.4600 -10.4600 -9.9939 -9.9939 -9.7428 -9.7428 -9.7364 -9.7364 -9.6304 -9.6304 -9.5498 -9.5498 -3.8352 -3.8352 -3.7813 -3.7813 -3.5616 -3.5616 -3.0445 -3.0445 -2.7274 -2.7274 -2.5777 -2.5777 -2.3226 -2.3226 -2.0394 -2.0394 -1.9555 -1.9555 -1.8838 -1.8838 -1.5664 -1.5664 -1.4896 -1.4896 -1.2530 -1.2530 -1.2013 -1.2013 -1.0541 -1.0541 -0.9999 -0.9999 k =-0.5000 0.3899 0.2896 ( 9344 PWs) bands (ev): -12.1846 -12.1846 -12.1467 -12.1467 -10.4758 -10.4758 -10.0037 -10.0037 -9.7369 -9.7369 -9.7299 -9.7299 -9.6110 -9.6110 -9.5412 -9.5412 -3.8274 -3.8274 -3.7937 -3.7937 -3.5530 -3.5530 -3.0056 -3.0056 -2.7263 -2.7263 -2.5783 -2.5783 -2.3185 -2.3185 -2.0361 -2.0361 -1.9822 -1.9822 -1.8896 -1.8896 -1.5504 -1.5504 -1.4664 -1.4664 -1.2472 -1.2472 -1.2301 -1.2301 -1.0463 -1.0463 -1.0012 -1.0012 k =-0.5000 0.3899 0.2673 ( 9344 PWs) bands (ev): -12.1887 -12.1887 -12.1494 -12.1494 -10.4905 -10.4905 -10.0130 -10.0130 -9.7312 -9.7312 -9.7237 -9.7237 -9.5926 -9.5926 -9.5333 -9.5333 -3.8190 -3.8190 -3.8055 -3.8055 -3.5452 -3.5452 -2.9658 -2.9658 -2.7240 -2.7240 -2.5781 -2.5781 -2.3140 -2.3140 -2.0330 -2.0330 -2.0110 -2.0110 -1.8983 -1.8983 -1.5355 -1.5355 -1.4448 -1.4448 -1.2576 -1.2576 -1.2378 -1.2378 -1.0606 -1.0606 -1.0024 -1.0024 k =-0.5000 0.3899 0.2450 ( 9334 PWs) bands (ev): -12.1925 -12.1925 -12.1521 -12.1521 -10.5041 -10.5041 -10.0216 -10.0216 -9.7257 -9.7257 -9.7176 -9.7176 -9.5755 -9.5755 -9.5259 -9.5259 -3.8166 -3.8166 -3.8101 -3.8101 -3.5384 -3.5384 -2.9252 -2.9252 -2.7205 -2.7205 -2.5770 -2.5770 -2.3093 -2.3093 -2.0420 -2.0420 -2.0296 -2.0296 -1.9097 -1.9097 -1.5221 -1.5221 -1.4249 -1.4249 -1.2806 -1.2806 -1.2275 -1.2275 -1.0903 -1.0903 -1.0039 -1.0039 k =-0.5000 0.3899 0.2228 ( 9338 PWs) bands (ev): -12.1961 -12.1961 -12.1546 -12.1546 -10.5166 -10.5166 -10.0295 -10.0295 -9.7205 -9.7205 -9.7119 -9.7119 -9.5597 -9.5597 -9.5191 -9.5191 -3.8269 -3.8269 -3.8009 -3.8009 -3.5325 -3.5325 -2.8840 -2.8840 -2.7160 -2.7160 -2.5748 -2.5748 -2.3047 -2.3047 -2.0731 -2.0731 -2.0280 -2.0280 -1.9236 -1.9236 -1.5107 -1.5107 -1.4071 -1.4071 -1.2997 -1.2997 -1.2148 -1.2148 -1.1247 -1.1247 -1.0060 -1.0060 k =-0.5000 0.3899 0.2005 ( 9340 PWs) bands (ev): -12.1995 -12.1995 -12.1569 -12.1569 -10.5280 -10.5280 -10.0368 -10.0368 -9.7157 -9.7157 -9.7065 -9.7065 -9.5451 -9.5451 -9.5130 -9.5130 -3.8364 -3.8364 -3.7917 -3.7917 -3.5274 -3.5274 -2.8426 -2.8426 -2.7106 -2.7106 -2.5715 -2.5715 -2.3002 -2.3002 -2.1048 -2.1048 -2.0272 -2.0272 -1.9397 -1.9397 -1.5018 -1.5018 -1.3914 -1.3914 -1.3143 -1.3143 -1.2001 -1.2001 -1.1595 -1.1595 -1.0086 -1.0086 k =-0.5000 0.3899 0.1782 ( 9340 PWs) bands (ev): -12.2025 -12.2025 -12.1591 -12.1591 -10.5383 -10.5383 -10.0433 -10.0433 -9.7112 -9.7112 -9.7016 -9.7016 -9.5320 -9.5320 -9.5075 -9.5075 -3.8450 -3.8450 -3.7826 -3.7826 -3.5231 -3.5231 -2.8013 -2.8013 -2.7047 -2.7047 -2.5672 -2.5672 -2.2960 -2.2960 -2.1364 -2.1364 -2.0277 -2.0277 -1.9576 -1.9576 -1.4956 -1.4956 -1.3777 -1.3777 -1.3237 -1.3237 -1.1929 -1.1929 -1.1834 -1.1834 -1.0115 -1.0115 k =-0.5000 0.3899 0.1559 ( 9342 PWs) bands (ev): -12.2053 -12.2053 -12.1611 -12.1611 -10.5474 -10.5474 -10.0492 -10.0492 -9.7072 -9.7072 -9.6971 -9.6971 -9.5203 -9.5203 -9.5026 -9.5026 -3.8528 -3.8528 -3.7738 -3.7738 -3.5195 -3.5195 -2.7606 -2.7606 -2.6984 -2.6984 -2.5618 -2.5618 -2.2922 -2.2922 -2.1671 -2.1671 -2.0300 -2.0300 -1.9764 -1.9764 -1.4924 -1.4924 -1.3662 -1.3662 -1.3281 -1.3281 -1.2238 -1.2238 -1.1652 -1.1652 -1.0142 -1.0142 k =-0.5000 0.3899 0.1337 ( 9348 PWs) bands (ev): -12.2078 -12.2078 -12.1629 -12.1629 -10.5553 -10.5553 -10.0542 -10.0542 -9.7036 -9.7036 -9.6931 -9.6931 -9.5100 -9.5100 -9.4983 -9.4983 -3.8596 -3.8596 -3.7657 -3.7657 -3.5165 -3.5165 -2.7211 -2.7211 -2.6921 -2.6921 -2.5554 -2.5554 -2.2891 -2.2891 -2.1962 -2.1962 -2.0352 -2.0352 -1.9945 -1.9945 -1.4916 -1.4916 -1.3567 -1.3567 -1.3282 -1.3282 -1.2515 -1.2515 -1.1457 -1.1457 -1.0167 -1.0167 k =-0.5000 0.3899 0.1114 ( 9364 PWs) bands (ev): -12.2099 -12.2099 -12.1644 -12.1644 -10.5620 -10.5620 -10.0586 -10.0586 -9.7005 -9.7005 -9.6896 -9.6896 -9.5013 -9.5013 -9.4948 -9.4948 -3.8654 -3.8654 -3.7583 -3.7583 -3.5141 -3.5141 -2.6862 -2.6862 -2.6835 -2.6835 -2.5483 -2.5483 -2.2869 -2.2869 -2.2228 -2.2228 -2.0452 -2.0452 -2.0091 -2.0091 -1.4924 -1.4924 -1.3491 -1.3491 -1.3251 -1.3251 -1.2756 -1.2756 -1.1254 -1.1254 -1.0187 -1.0187 k =-0.5000 0.3899 0.0891 ( 9364 PWs) bands (ev): -12.2116 -12.2116 -12.1657 -12.1657 -10.5675 -10.5675 -10.0621 -10.0621 -9.6979 -9.6979 -9.6868 -9.6868 -9.4941 -9.4941 -9.4918 -9.4918 -3.8702 -3.8702 -3.7520 -3.7520 -3.5122 -3.5122 -2.6806 -2.6806 -2.6493 -2.6493 -2.5409 -2.5409 -2.2865 -2.2865 -2.2454 -2.2454 -2.0604 -2.0604 -2.0183 -2.0183 -1.4940 -1.4940 -1.3432 -1.3432 -1.3204 -1.3204 -1.2957 -1.2957 -1.1050 -1.1050 -1.0201 -1.0201 k =-0.5000 0.3899 0.0668 ( 9350 PWs) bands (ev): -12.2130 -12.2130 -12.1667 -12.1667 -10.5718 -10.5718 -10.0649 -10.0649 -9.6959 -9.6959 -9.6845 -9.6845 -9.4895 -9.4895 -9.4885 -9.4885 -3.8739 -3.8739 -3.7468 -3.7468 -3.5108 -3.5108 -2.6759 -2.6759 -2.6196 -2.6196 -2.5337 -2.5337 -2.2898 -2.2898 -2.2610 -2.2610 -2.0774 -2.0774 -2.0237 -2.0237 -1.4958 -1.4958 -1.3389 -1.3389 -1.3154 -1.3154 -1.3113 -1.3113 -1.0858 -1.0858 -1.0211 -1.0211 k =-0.5000 0.3899 0.0446 ( 9354 PWs) bands (ev): -12.2140 -12.2140 -12.1674 -12.1674 -10.5749 -10.5749 -10.0669 -10.0669 -9.6944 -9.6944 -9.6828 -9.6828 -9.4879 -9.4879 -9.4844 -9.4844 -3.8766 -3.8766 -3.7430 -3.7430 -3.5099 -3.5099 -2.6724 -2.6724 -2.5962 -2.5962 -2.5275 -2.5275 -2.2980 -2.2980 -2.2678 -2.2678 -2.0925 -2.0925 -2.0272 -2.0272 -1.4972 -1.4972 -1.3359 -1.3359 -1.3230 -1.3230 -1.3106 -1.3106 -1.0694 -1.0694 -1.0215 -1.0215 k =-0.5000 0.3899 0.0223 ( 9346 PWs) bands (ev): -12.2146 -12.2146 -12.1679 -12.1679 -10.5767 -10.5767 -10.0681 -10.0681 -9.6935 -9.6935 -9.6819 -9.6819 -9.4869 -9.4869 -9.4820 -9.4820 -3.8782 -3.8782 -3.7407 -3.7407 -3.5093 -3.5093 -2.6702 -2.6702 -2.5811 -2.5811 -2.5233 -2.5233 -2.3057 -2.3057 -2.2696 -2.2696 -2.1028 -2.1028 -2.0291 -2.0291 -1.4982 -1.4982 -1.3342 -1.3342 -1.3298 -1.3298 -1.3076 -1.3076 -1.0582 -1.0582 -1.0215 -1.0215 k =-0.5000 0.3899-0.0000 ( 9346 PWs) bands (ev): -12.2148 -12.2148 -12.1680 -12.1680 -10.5773 -10.5773 -10.0685 -10.0685 -9.6932 -9.6932 -9.6815 -9.6815 -9.4865 -9.4865 -9.4812 -9.4812 -3.8788 -3.8788 -3.7399 -3.7399 -3.5091 -3.5091 -2.6694 -2.6694 -2.5759 -2.5759 -2.5218 -2.5218 -2.3087 -2.3087 -2.2700 -2.2700 -2.1065 -2.1065 -2.0298 -2.0298 -1.4985 -1.4985 -1.3336 -1.3336 -1.3321 -1.3321 -1.3066 -1.3066 -1.0542 -1.0542 -1.0214 -1.0214 k = 0.0000 0.0000 0.6906 ( 9334 PWs) bands (ev): -12.1329 -12.1329 -12.1329 -12.1329 -10.2154 -10.2154 -10.2154 -10.2154 -9.7485 -9.7485 -9.7485 -9.7485 -9.5909 -9.5909 -9.5909 -9.5909 -4.1091 -4.1091 -4.1091 -4.1091 -3.7695 -3.7695 -3.7695 -3.7695 -2.6594 -2.6594 -2.6594 -2.6594 -2.3209 -2.3209 -2.3209 -2.3209 -2.1410 -2.1410 -2.1410 -2.1410 -1.1514 -1.1514 -1.1514 -1.1514 -0.6827 -0.6827 -0.6827 -0.6827 -0.6377 -0.6377 -0.6377 -0.6377 k =-0.0179 0.0139 0.6906 ( 9336 PWs) bands (ev): -12.1328 -12.1328 -12.1328 -12.1328 -10.2151 -10.2151 -10.2151 -10.2151 -9.7486 -9.7486 -9.7486 -9.7486 -9.5914 -9.5914 -9.5914 -9.5914 -4.1083 -4.1083 -4.1083 -4.1083 -3.7688 -3.7688 -3.7688 -3.7688 -2.6584 -2.6584 -2.6584 -2.6584 -2.3205 -2.3205 -2.3205 -2.3205 -2.1419 -2.1419 -2.1419 -2.1419 -1.1518 -1.1518 -1.1518 -1.1518 -0.6853 -0.6853 -0.6853 -0.6853 -0.6385 -0.6384 -0.6384 -0.6384 k =-0.0357 0.0278 0.6906 ( 9348 PWs) bands (ev): -12.1327 -12.1327 -12.1327 -12.1327 -10.2142 -10.2142 -10.2142 -10.2142 -9.7487 -9.7487 -9.7487 -9.7487 -9.5930 -9.5930 -9.5930 -9.5930 -4.1059 -4.1059 -4.1059 -4.1059 -3.7667 -3.7667 -3.7667 -3.7667 -2.6554 -2.6554 -2.6554 -2.6554 -2.3193 -2.3193 -2.3193 -2.3193 -2.1445 -2.1445 -2.1445 -2.1445 -1.1531 -1.1531 -1.1531 -1.1531 -0.6927 -0.6927 -0.6927 -0.6927 -0.6409 -0.6409 -0.6408 -0.6408 k =-0.0536 0.0418 0.6906 ( 9354 PWs) bands (ev): -12.1325 -12.1325 -12.1325 -12.1325 -10.2127 -10.2127 -10.2127 -10.2127 -9.7490 -9.7490 -9.7490 -9.7490 -9.5956 -9.5956 -9.5956 -9.5956 -4.1020 -4.1020 -4.1020 -4.1020 -3.7632 -3.7632 -3.7632 -3.7632 -2.6505 -2.6505 -2.6505 -2.6505 -2.3174 -2.3174 -2.3174 -2.3174 -2.1488 -2.1488 -2.1488 -2.1488 -1.1553 -1.1553 -1.1553 -1.1553 -0.7040 -0.7040 -0.7040 -0.7040 -0.6459 -0.6459 -0.6458 -0.6457 k =-0.0714 0.0557 0.6906 ( 9348 PWs) bands (ev): -12.1323 -12.1323 -12.1323 -12.1323 -10.2107 -10.2107 -10.2107 -10.2107 -9.7493 -9.7493 -9.7493 -9.7493 -9.5992 -9.5992 -9.5992 -9.5992 -4.0966 -4.0966 -4.0966 -4.0966 -3.7583 -3.7583 -3.7583 -3.7583 -2.6437 -2.6437 -2.6437 -2.6437 -2.3147 -2.3147 -2.3147 -2.3147 -2.1547 -2.1547 -2.1547 -2.1547 -1.1586 -1.1586 -1.1586 -1.1586 -0.7185 -0.7185 -0.7185 -0.7185 -0.6541 -0.6541 -0.6539 -0.6539 k =-0.0893 0.0696 0.6906 ( 9350 PWs) bands (ev): -12.1319 -12.1319 -12.1319 -12.1319 -10.2080 -10.2080 -10.2080 -10.2080 -9.7497 -9.7497 -9.7497 -9.7497 -9.6039 -9.6039 -9.6039 -9.6039 -4.0897 -4.0897 -4.0897 -4.0897 -3.7521 -3.7521 -3.7521 -3.7521 -2.6351 -2.6351 -2.6351 -2.6351 -2.3113 -2.3113 -2.3113 -2.3113 -2.1622 -2.1622 -2.1621 -2.1621 -1.1632 -1.1632 -1.1632 -1.1632 -0.7356 -0.7356 -0.7356 -0.7356 -0.6654 -0.6654 -0.6653 -0.6653 k =-0.1071 0.0835 0.6906 ( 9354 PWs) bands (ev): -12.1315 -12.1315 -12.1315 -12.1315 -10.2048 -10.2048 -10.2048 -10.2048 -9.7503 -9.7503 -9.7503 -9.7503 -9.6095 -9.6095 -9.6095 -9.6095 -4.0813 -4.0813 -4.0813 -4.0813 -3.7447 -3.7447 -3.7447 -3.7447 -2.6247 -2.6247 -2.6247 -2.6247 -2.3073 -2.3073 -2.3073 -2.3073 -2.1710 -2.1710 -2.1710 -2.1710 -1.1694 -1.1694 -1.1694 -1.1694 -0.7546 -0.7546 -0.7546 -0.7546 -0.6794 -0.6794 -0.6793 -0.6793 k =-0.1250 0.0975 0.6906 ( 9362 PWs) bands (ev): -12.1311 -12.1311 -12.1311 -12.1311 -10.2010 -10.2010 -10.2010 -10.2010 -9.7508 -9.7508 -9.7508 -9.7508 -9.6160 -9.6160 -9.6160 -9.6160 -4.0715 -4.0715 -4.0715 -4.0715 -3.7361 -3.7361 -3.7361 -3.7361 -2.6127 -2.6127 -2.6127 -2.6127 -2.3026 -2.3026 -2.3026 -2.3026 -2.1811 -2.1811 -2.1811 -2.1811 -1.1775 -1.1775 -1.1775 -1.1775 -0.7753 -0.7753 -0.7753 -0.7753 -0.6951 -0.6951 -0.6950 -0.6950 k =-0.1429 0.1114 0.6906 ( 9362 PWs) bands (ev): -12.1306 -12.1306 -12.1306 -12.1306 -10.1966 -10.1966 -10.1966 -10.1966 -9.7515 -9.7515 -9.7515 -9.7515 -9.6234 -9.6234 -9.6234 -9.6234 -4.0604 -4.0604 -4.0604 -4.0604 -3.7264 -3.7264 -3.7264 -3.7264 -2.5993 -2.5993 -2.5993 -2.5993 -2.2974 -2.2974 -2.2974 -2.2974 -2.1921 -2.1921 -2.1921 -2.1921 -1.1878 -1.1878 -1.1877 -1.1877 -0.7972 -0.7972 -0.7972 -0.7972 -0.7114 -0.7114 -0.7113 -0.7113 k =-0.1607 0.1253 0.6906 ( 9358 PWs) bands (ev): -12.1300 -12.1300 -12.1300 -12.1300 -10.1917 -10.1917 -10.1917 -10.1917 -9.7522 -9.7522 -9.7522 -9.7522 -9.6317 -9.6317 -9.6317 -9.6317 -4.0480 -4.0480 -4.0480 -4.0480 -3.7156 -3.7156 -3.7156 -3.7156 -2.5847 -2.5847 -2.5847 -2.5847 -2.2918 -2.2918 -2.2918 -2.2918 -2.2038 -2.2038 -2.2038 -2.2038 -1.2006 -1.2006 -1.2006 -1.2006 -0.8201 -0.8201 -0.8201 -0.8201 -0.7274 -0.7274 -0.7273 -0.7273 k =-0.1786 0.1392 0.6906 ( 9366 PWs) bands (ev): -12.1294 -12.1294 -12.1294 -12.1294 -10.1863 -10.1863 -10.1863 -10.1863 -9.7530 -9.7530 -9.7530 -9.7530 -9.6407 -9.6407 -9.6407 -9.6407 -4.0345 -4.0345 -4.0345 -4.0345 -3.7039 -3.7039 -3.7039 -3.7039 -2.5691 -2.5691 -2.5691 -2.5691 -2.2859 -2.2859 -2.2859 -2.2859 -2.2157 -2.2157 -2.2156 -2.2156 -1.2164 -1.2164 -1.2163 -1.2163 -0.8437 -0.8437 -0.8437 -0.8437 -0.7422 -0.7422 -0.7421 -0.7421 k =-0.1964 0.1532 0.6906 ( 9368 PWs) bands (ev): -12.1288 -12.1288 -12.1288 -12.1288 -10.1804 -10.1804 -10.1804 -10.1804 -9.7538 -9.7538 -9.7538 -9.7538 -9.6504 -9.6504 -9.6504 -9.6504 -4.0199 -4.0199 -4.0199 -4.0199 -3.6914 -3.6914 -3.6914 -3.6914 -2.5532 -2.5532 -2.5531 -2.5531 -2.2801 -2.2801 -2.2801 -2.2801 -2.2269 -2.2269 -2.2269 -2.2269 -1.2352 -1.2352 -1.2352 -1.2352 -0.8676 -0.8676 -0.8676 -0.8676 -0.7555 -0.7555 -0.7553 -0.7553 k =-0.2143 0.1671 0.6906 ( 9364 PWs) bands (ev): -12.1281 -12.1281 -12.1281 -12.1281 -10.1739 -10.1739 -10.1739 -10.1739 -9.7547 -9.7547 -9.7547 -9.7547 -9.6608 -9.6608 -9.6608 -9.6608 -4.0043 -4.0043 -4.0043 -4.0043 -3.6783 -3.6783 -3.6783 -3.6783 -2.5373 -2.5373 -2.5373 -2.5373 -2.2749 -2.2749 -2.2748 -2.2748 -2.2364 -2.2364 -2.2363 -2.2363 -1.2573 -1.2573 -1.2573 -1.2573 -0.8916 -0.8916 -0.8916 -0.8916 -0.7669 -0.7669 -0.7667 -0.7667 k =-0.2321 0.1810 0.6906 ( 9372 PWs) bands (ev): -12.1274 -12.1274 -12.1274 -12.1274 -10.1670 -10.1670 -10.1670 -10.1670 -9.7556 -9.7556 -9.7556 -9.7556 -9.6717 -9.6717 -9.6717 -9.6717 -3.9880 -3.9880 -3.9880 -3.9880 -3.6646 -3.6646 -3.6646 -3.6646 -2.5226 -2.5226 -2.5225 -2.5225 -2.2714 -2.2714 -2.2713 -2.2713 -2.2420 -2.2420 -2.2419 -2.2419 -1.2827 -1.2827 -1.2827 -1.2827 -0.9155 -0.9155 -0.9155 -0.9155 -0.7782 -0.7782 -0.7779 -0.7779 k =-0.2500 0.1949 0.6906 ( 9360 PWs) bands (ev): -12.1268 -12.1268 -12.1268 -12.1268 -10.1597 -10.1597 -10.1597 -10.1597 -9.7565 -9.7565 -9.7565 -9.7565 -9.6831 -9.6831 -9.6831 -9.6831 -3.9710 -3.9710 -3.9710 -3.9710 -3.6506 -3.6506 -3.6506 -3.6506 -2.5100 -2.5100 -2.5100 -2.5100 -2.2701 -2.2701 -2.2701 -2.2701 -2.2421 -2.2421 -2.2420 -2.2420 -1.3112 -1.3112 -1.3111 -1.3111 -0.9389 -0.9389 -0.9389 -0.9389 -0.7973 -0.7973 -0.7972 -0.7972 k =-0.2679 0.2088 0.6906 ( 9372 PWs) bands (ev): -12.1261 -12.1261 -12.1261 -12.1261 -10.1520 -10.1520 -10.1520 -10.1520 -9.7574 -9.7574 -9.7574 -9.7574 -9.6949 -9.6949 -9.6949 -9.6949 -3.9535 -3.9535 -3.9535 -3.9535 -3.6363 -3.6363 -3.6363 -3.6363 -2.5009 -2.5009 -2.5009 -2.5009 -2.2687 -2.2687 -2.2686 -2.2686 -2.2377 -2.2377 -2.2376 -2.2376 -1.3425 -1.3425 -1.3425 -1.3425 -0.9616 -0.9616 -0.9616 -0.9616 -0.8187 -0.8187 -0.8187 -0.8187 k =-0.2857 0.2228 0.6906 ( 9338 PWs) bands (ev): -12.1254 -12.1254 -12.1254 -12.1254 -10.1440 -10.1440 -10.1440 -10.1440 -9.7582 -9.7582 -9.7582 -9.7582 -9.7070 -9.7070 -9.7070 -9.7070 -3.9357 -3.9357 -3.9357 -3.9357 -3.6220 -3.6220 -3.6220 -3.6220 -2.4965 -2.4965 -2.4964 -2.4964 -2.2637 -2.2637 -2.2635 -2.2635 -2.2311 -2.2311 -2.2310 -2.2310 -1.3764 -1.3764 -1.3764 -1.3764 -0.9833 -0.9833 -0.9833 -0.9833 -0.8405 -0.8405 -0.8404 -0.8404 k =-0.3036 0.2367 0.6906 ( 9338 PWs) bands (ev): -12.1247 -12.1247 -12.1247 -12.1247 -10.1357 -10.1357 -10.1357 -10.1357 -9.7591 -9.7591 -9.7591 -9.7591 -9.7192 -9.7192 -9.7192 -9.7192 -3.9178 -3.9178 -3.9178 -3.9178 -3.6078 -3.6078 -3.6078 -3.6078 -2.4971 -2.4971 -2.4971 -2.4971 -2.2538 -2.2538 -2.2537 -2.2537 -2.2228 -2.2228 -2.2227 -2.2227 -1.4125 -1.4125 -1.4125 -1.4125 -1.0038 -1.0038 -1.0038 -1.0038 -0.8622 -0.8622 -0.8622 -0.8622 k =-0.3214 0.2506 0.6906 ( 9334 PWs) bands (ev): -12.1241 -12.1241 -12.1241 -12.1241 -10.1272 -10.1272 -10.1272 -10.1272 -9.7599 -9.7599 -9.7599 -9.7599 -9.7314 -9.7314 -9.7314 -9.7314 -3.9001 -3.9001 -3.9001 -3.9001 -3.5940 -3.5940 -3.5940 -3.5940 -2.5024 -2.5024 -2.5024 -2.5024 -2.2404 -2.2404 -2.2402 -2.2402 -2.2123 -2.2123 -2.2121 -2.2121 -1.4505 -1.4505 -1.4505 -1.4505 -1.0229 -1.0229 -1.0229 -1.0229 -0.8835 -0.8835 -0.8835 -0.8835 k =-0.3393 0.2645 0.6906 ( 9338 PWs) bands (ev): -12.1235 -12.1235 -12.1235 -12.1235 -10.1187 -10.1187 -10.1187 -10.1187 -9.7607 -9.7607 -9.7607 -9.7607 -9.7435 -9.7435 -9.7435 -9.7435 -3.8828 -3.8828 -3.8828 -3.8828 -3.5807 -3.5807 -3.5807 -3.5807 -2.5112 -2.5112 -2.5112 -2.5112 -2.2269 -2.2269 -2.2268 -2.2268 -2.1966 -2.1966 -2.1964 -2.1964 -1.4900 -1.4900 -1.4900 -1.4900 -1.0403 -1.0403 -1.0403 -1.0403 -0.9043 -0.9043 -0.9043 -0.9043 k =-0.3571 0.2785 0.6906 ( 9350 PWs) bands (ev): -12.1230 -12.1230 -12.1230 -12.1230 -10.1102 -10.1102 -10.1102 -10.1102 -9.7614 -9.7614 -9.7614 -9.7614 -9.7553 -9.7553 -9.7553 -9.7553 -3.8662 -3.8662 -3.8662 -3.8662 -3.5681 -3.5681 -3.5681 -3.5681 -2.5223 -2.5223 -2.5223 -2.5223 -2.2166 -2.2166 -2.2165 -2.2165 -2.1739 -2.1739 -2.1738 -2.1738 -1.5307 -1.5307 -1.5307 -1.5307 -1.0559 -1.0559 -1.0559 -1.0559 -0.9242 -0.9242 -0.9242 -0.9242 k =-0.3750 0.2924 0.6906 ( 9338 PWs) bands (ev): -12.1224 -12.1224 -12.1224 -12.1224 -10.1019 -10.1019 -10.1019 -10.1019 -9.7666 -9.7666 -9.7666 -9.7666 -9.7620 -9.7620 -9.7620 -9.7620 -3.8506 -3.8506 -3.8506 -3.8506 -3.5565 -3.5565 -3.5565 -3.5565 -2.5344 -2.5344 -2.5344 -2.5344 -2.2090 -2.2090 -2.2089 -2.2089 -2.1458 -2.1458 -2.1457 -2.1457 -1.5723 -1.5723 -1.5723 -1.5723 -1.0695 -1.0695 -1.0695 -1.0695 -0.9430 -0.9430 -0.9430 -0.9430 k =-0.3929 0.3063 0.6906 ( 9334 PWs) bands (ev): -12.1220 -12.1220 -12.1220 -12.1220 -10.0940 -10.0940 -10.0940 -10.0940 -9.7772 -9.7772 -9.7772 -9.7772 -9.7626 -9.7626 -9.7626 -9.7626 -3.8363 -3.8363 -3.8363 -3.8363 -3.5459 -3.5459 -3.5459 -3.5459 -2.5466 -2.5466 -2.5466 -2.5466 -2.2029 -2.2029 -2.2029 -2.2029 -2.1141 -2.1141 -2.1140 -2.1140 -1.6144 -1.6144 -1.6144 -1.6144 -1.0811 -1.0811 -1.0811 -1.0811 -0.9603 -0.9603 -0.9603 -0.9603 k =-0.4107 0.3202 0.6906 ( 9330 PWs) bands (ev): -12.1216 -12.1216 -12.1216 -12.1216 -10.0866 -10.0866 -10.0866 -10.0866 -9.7869 -9.7869 -9.7869 -9.7869 -9.7631 -9.7631 -9.7631 -9.7631 -3.8235 -3.8235 -3.8235 -3.8235 -3.5366 -3.5366 -3.5366 -3.5366 -2.5581 -2.5581 -2.5581 -2.5581 -2.1980 -2.1980 -2.1979 -2.1979 -2.0800 -2.0800 -2.0800 -2.0800 -1.6568 -1.6568 -1.6568 -1.6568 -1.0906 -1.0906 -1.0906 -1.0906 -0.9759 -0.9759 -0.9759 -0.9759 k =-0.4286 0.3342 0.6906 ( 9336 PWs) bands (ev): -12.1213 -12.1213 -12.1213 -12.1213 -10.0801 -10.0801 -10.0801 -10.0801 -9.7954 -9.7954 -9.7954 -9.7954 -9.7636 -9.7636 -9.7636 -9.7636 -3.8126 -3.8126 -3.8126 -3.8126 -3.5288 -3.5288 -3.5288 -3.5288 -2.5684 -2.5684 -2.5684 -2.5684 -2.1939 -2.1939 -2.1939 -2.1939 -2.0443 -2.0443 -2.0443 -2.0443 -1.6990 -1.6990 -1.6990 -1.6990 -1.0981 -1.0981 -1.0981 -1.0981 -0.9893 -0.9893 -0.9893 -0.9893 k =-0.4464 0.3481 0.6906 ( 9332 PWs) bands (ev): -12.1210 -12.1210 -12.1210 -12.1210 -10.0746 -10.0746 -10.0746 -10.0746 -9.8024 -9.8024 -9.8024 -9.8024 -9.7639 -9.7639 -9.7639 -9.7639 -3.8038 -3.8038 -3.8038 -3.8038 -3.5225 -3.5225 -3.5225 -3.5225 -2.5769 -2.5769 -2.5769 -2.5769 -2.1908 -2.1908 -2.1908 -2.1908 -2.0077 -2.0077 -2.0077 -2.0077 -1.7405 -1.7405 -1.7405 -1.7405 -1.1037 -1.1037 -1.1037 -1.1037 -1.0003 -1.0003 -1.0003 -1.0003 k =-0.4643 0.3620 0.6906 ( 9336 PWs) bands (ev): -12.1208 -12.1208 -12.1208 -12.1208 -10.0705 -10.0705 -10.0705 -10.0705 -9.8077 -9.8077 -9.8077 -9.8077 -9.7641 -9.7641 -9.7641 -9.7641 -3.7973 -3.7973 -3.7973 -3.7973 -3.5180 -3.5180 -3.5180 -3.5180 -2.5832 -2.5832 -2.5832 -2.5832 -2.1886 -2.1886 -2.1886 -2.1886 -1.9715 -1.9715 -1.9715 -1.9715 -1.7802 -1.7802 -1.7802 -1.7802 -1.1075 -1.1075 -1.1075 -1.1075 -1.0085 -1.0085 -1.0085 -1.0085 k =-0.4821 0.3759 0.6906 ( 9342 PWs) bands (ev): -12.1207 -12.1207 -12.1207 -12.1207 -10.0679 -10.0679 -10.0679 -10.0679 -9.8109 -9.8109 -9.8109 -9.8109 -9.7643 -9.7643 -9.7643 -9.7643 -3.7934 -3.7934 -3.7934 -3.7934 -3.5152 -3.5152 -3.5152 -3.5152 -2.5871 -2.5871 -2.5871 -2.5871 -2.1873 -2.1873 -2.1873 -2.1873 -1.9390 -1.9390 -1.9390 -1.9390 -1.8147 -1.8147 -1.8147 -1.8147 -1.1096 -1.1096 -1.1096 -1.1096 -1.0135 -1.0135 -1.0135 -1.0135 k =-0.5000 0.3899 0.6906 ( 9348 PWs) bands (ev): -12.1207 -12.1207 -12.1207 -12.1207 -10.0670 -10.0670 -10.0670 -10.0670 -9.8120 -9.8120 -9.8120 -9.8120 -9.7643 -9.7643 -9.7643 -9.7643 -3.7920 -3.7920 -3.7920 -3.7920 -3.5143 -3.5143 -3.5143 -3.5143 -2.5885 -2.5885 -2.5885 -2.5885 -2.1869 -2.1869 -2.1869 -2.1869 -1.9230 -1.9230 -1.9230 -1.9230 -1.8315 -1.8315 -1.8315 -1.8315 -1.1103 -1.1103 -1.1103 -1.1103 -1.0153 -1.0153 -1.0153 -1.0153 Writing output data file H2C3S.save init_run : 0.53s CPU 0.72s WALL ( 1 calls) electrons : 366.26s CPU 370.05s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.11s WALL ( 1 calls) Called by electrons: c_bands : 366.25s CPU 370.04s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.05s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.06s WALL ( 300 calls) cegterg : 340.61s CPU 343.75s WALL ( 670 calls) Called by sum_band: Called by *egterg: h_psi : 199.20s CPU 202.20s WALL ( 11593 calls) s_psi : 7.53s CPU 7.70s WALL ( 11593 calls) g_psi : 0.28s CPU 0.30s WALL ( 10623 calls) cdiaghg : 125.74s CPU 125.83s WALL ( 10923 calls) cegterg:over : 12.13s CPU 12.00s WALL ( 10623 calls) cegterg:upda : 8.27s CPU 8.48s WALL ( 10623 calls) cegterg:last : 4.85s CPU 4.96s WALL ( 1571 calls) cdiaghg:chol : 4.85s CPU 4.93s WALL ( 10923 calls) cdiaghg:inve : 2.23s CPU 2.19s WALL ( 10923 calls) cdiaghg:para : 7.76s CPU 7.65s WALL ( 21846 calls) Called by h_psi: h_psi:vloc : 183.70s CPU 186.22s WALL ( 11593 calls) h_psi:vnl : 15.23s CPU 15.70s WALL ( 11593 calls) add_vuspsi : 6.74s CPU 7.01s WALL ( 11593 calls) General routines calbec : 8.45s CPU 8.65s WALL ( 11593 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 177.88s CPU 180.30s WALL ( 879084 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.23s WALL ( 600 calls) Parallel routines fft_scatter : 123.96s CPU 126.53s WALL ( 879107 calls) PWSCF : 6m44.38s CPU 7m10.13s WALL This run was terminated on: 4:36:23 31Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=