Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:13:51 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./TlSbSe2.save/ file Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 47 35 10 1343 855 136 Max 48 36 11 1350 869 139 Sum 1727 1277 371 48505 31085 4961 bravais-lattice index = 14 lattice parameter (alat) = 12.0065 a.u. unit-cell volume = 761.6169 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 3 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 45.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 12.006543 celldm(2)= 1.000000 celldm(3)= 0.708261 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.783587 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.783587 0.621283 0.000000 ) a(3) = ( 0.000000 0.000000 0.708261 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.261240 -0.000000 ) b(2) = ( 0.000000 1.609573 -0.000000 ) b(3) = ( 0.000000 0.000000 1.411909 ) PseudoPot. # 1 for Tl read from file: /users/gautes/Pseudo/Tl.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: cd969aa200d2b9b89aab382fbbb9d684 Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1281 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 Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d 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 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Tl 13.00 204.38330 Tl( 1.00) Se 6.00 78.96000 Se( 1.00) Sb 5.00 121.76000 Sb( 1.00) 4 Sym. Ops., with inversion, found 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 ) ( 0 -1 0 ) ( 0 0 1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [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= 388 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( 0.0065194 0.0187160 -0.0000000), wk = 0.0025773 k( 3) = ( 0.0130388 0.0374319 -0.0000000), wk = 0.0025773 k( 4) = ( 0.0195582 0.0561479 -0.0000000), wk = 0.0025773 k( 5) = ( 0.0260776 0.0748639 -0.0000000), wk = 0.0025773 k( 6) = ( 0.0325970 0.0935798 -0.0000000), wk = 0.0025773 k( 7) = ( 0.0391164 0.1122958 -0.0000000), wk = 0.0025773 k( 8) = ( 0.0456358 0.1310118 -0.0000000), wk = 0.0025773 k( 9) = ( 0.0521552 0.1497278 -0.0000000), wk = 0.0025773 k( 10) = ( 0.0586746 0.1684437 -0.0000000), wk = 0.0025773 k( 11) = ( 0.0651940 0.1871597 -0.0000000), wk = 0.0025773 k( 12) = ( 0.0717134 0.2058757 -0.0000000), wk = 0.0025773 k( 13) = ( 0.0782328 0.2245916 -0.0000000), wk = 0.0025773 k( 14) = ( 0.0847521 0.2433076 -0.0000000), wk = 0.0025773 k( 15) = ( 0.0912715 0.2620236 -0.0000000), wk = 0.0025773 k( 16) = ( 0.0977909 0.2807395 -0.0000000), wk = 0.0025773 k( 17) = ( 0.1043103 0.2994555 -0.0000000), wk = 0.0025773 k( 18) = ( 0.1108297 0.3181715 -0.0000000), wk = 0.0025773 k( 19) = ( 0.1173491 0.3368875 -0.0000000), wk = 0.0025773 k( 20) = ( 0.1238685 0.3556034 -0.0000000), wk = 0.0025773 k( 21) = ( 0.1303879 0.3743194 -0.0000000), wk = 0.0025773 k( 22) = ( 0.1369073 0.3930354 -0.0000000), wk = 0.0025773 k( 23) = ( 0.1434267 0.4117513 -0.0000000), wk = 0.0025773 k( 24) = ( 0.1499461 0.4304673 -0.0000000), wk = 0.0025773 k( 25) = ( 0.1564655 0.4491833 -0.0000000), wk = 0.0025773 k( 26) = ( 0.1629849 0.4678992 -0.0000000), wk = 0.0025773 k( 27) = ( 0.1695043 0.4866152 -0.0000000), wk = 0.0025773 k( 28) = ( 0.1760237 0.5053312 -0.0000000), wk = 0.0025773 k( 29) = ( 0.1825431 0.5240471 -0.0000000), wk = 0.0025773 k( 30) = ( 0.1890625 0.5427631 -0.0000000), wk = 0.0025773 k( 31) = ( 0.1955819 0.5614791 -0.0000000), wk = 0.0025773 k( 32) = ( 0.2021013 0.5801951 -0.0000000), wk = 0.0025773 k( 33) = ( 0.2086207 0.5989110 -0.0000000), wk = 0.0025773 k( 34) = ( 0.2151401 0.6176270 -0.0000000), wk = 0.0025773 k( 35) = ( 0.2216595 0.6363429 -0.0000000), wk = 0.0025773 k( 36) = ( 0.2281789 0.6550589 -0.0000000), wk = 0.0025773 k( 37) = ( 0.2346983 0.6737749 -0.0000000), wk = 0.0025773 k( 38) = ( 0.2412177 0.6924909 -0.0000000), wk = 0.0025773 k( 39) = ( 0.2477370 0.7112068 -0.0000000), wk = 0.0025773 k( 40) = ( 0.2542564 0.7299228 -0.0000000), wk = 0.0025773 k( 41) = ( 0.2607758 0.7486388 -0.0000000), wk = 0.0025773 k( 42) = ( 0.2672952 0.7673548 -0.0000000), wk = 0.0025773 k( 43) = ( 0.2738146 0.7860707 -0.0000000), wk = 0.0025773 k( 44) = ( 0.2803340 0.8047867 -0.0000000), wk = 0.0025773 k( 45) = ( 0.2803340 0.8047867 -0.0000000), wk = 0.0025773 k( 46) = ( 0.2603102 0.8047867 -0.0000000), wk = 0.0025773 k( 47) = ( 0.2402863 0.8047867 -0.0000000), wk = 0.0025773 k( 48) = ( 0.2202624 0.8047867 -0.0000000), wk = 0.0025773 k( 49) = ( 0.2002386 0.8047867 -0.0000000), wk = 0.0025773 k( 50) = ( 0.1802147 0.8047867 -0.0000000), wk = 0.0025773 k( 51) = ( 0.1601909 0.8047867 -0.0000000), wk = 0.0025773 k( 52) = ( 0.1401670 0.8047867 -0.0000000), wk = 0.0025773 k( 53) = ( 0.1201432 0.8047867 -0.0000000), wk = 0.0025773 k( 54) = ( 0.1001193 0.8047867 -0.0000000), wk = 0.0025773 k( 55) = ( 0.0800954 0.8047867 -0.0000000), wk = 0.0025773 k( 56) = ( 0.0600716 0.8047867 -0.0000000), wk = 0.0025773 k( 57) = ( 0.0400477 0.8047867 -0.0000000), wk = 0.0025773 k( 58) = ( 0.0200239 0.8047867 -0.0000000), wk = 0.0025773 k( 59) = ( 0.0000000 0.8047867 -0.0000000), wk = 0.0025773 k( 60) = ( 0.0000000 0.8047867 -0.0000000), wk = 0.0025773 k( 61) = ( 0.0000000 0.8047867 0.0201701), wk = 0.0025773 k( 62) = ( 0.0000000 0.8047867 0.0403403), wk = 0.0025773 k( 63) = ( 0.0000000 0.8047867 0.0605104), wk = 0.0025773 k( 64) = ( 0.0000000 0.8047867 0.0806805), wk = 0.0025773 k( 65) = ( 0.0000000 0.8047867 0.1008506), wk = 0.0025773 k( 66) = ( 0.0000000 0.8047867 0.1210208), wk = 0.0025773 k( 67) = ( 0.0000000 0.8047867 0.1411909), wk = 0.0025773 k( 68) = ( 0.0000000 0.8047867 0.1613610), wk = 0.0025773 k( 69) = ( 0.0000000 0.8047867 0.1815311), wk = 0.0025773 k( 70) = ( 0.0000000 0.8047867 0.2017013), wk = 0.0025773 k( 71) = ( 0.0000000 0.8047867 0.2218714), wk = 0.0025773 k( 72) = ( 0.0000000 0.8047867 0.2420415), wk = 0.0025773 k( 73) = ( 0.0000000 0.8047867 0.2622116), wk = 0.0025773 k( 74) = ( 0.0000000 0.8047867 0.2823818), wk = 0.0025773 k( 75) = ( 0.0000000 0.8047867 0.3025519), wk = 0.0025773 k( 76) = ( 0.0000000 0.8047867 0.3227220), wk = 0.0025773 k( 77) = ( 0.0000000 0.8047867 0.3428921), wk = 0.0025773 k( 78) = ( 0.0000000 0.8047867 0.3630623), wk = 0.0025773 k( 79) = ( 0.0000000 0.8047867 0.3832324), wk = 0.0025773 k( 80) = ( 0.0000000 0.8047867 0.4034025), wk = 0.0025773 k( 81) = ( 0.0000000 0.8047867 0.4235726), wk = 0.0025773 k( 82) = ( 0.0000000 0.8047867 0.4437428), wk = 0.0025773 k( 83) = ( 0.0000000 0.8047867 0.4639129), wk = 0.0025773 k( 84) = ( 0.0000000 0.8047867 0.4840830), wk = 0.0025773 k( 85) = ( 0.0000000 0.8047867 0.5042531), wk = 0.0025773 k( 86) = ( 0.0000000 0.8047867 0.5244233), wk = 0.0025773 k( 87) = ( 0.0000000 0.8047867 0.5445934), wk = 0.0025773 k( 88) = ( 0.0000000 0.8047867 0.5647635), wk = 0.0025773 k( 89) = ( 0.0000000 0.8047867 0.5849336), wk = 0.0025773 k( 90) = ( 0.0000000 0.8047867 0.6051038), wk = 0.0025773 k( 91) = ( 0.0000000 0.8047867 0.6252739), wk = 0.0025773 k( 92) = ( 0.0000000 0.8047867 0.6454440), wk = 0.0025773 k( 93) = ( 0.0000000 0.8047867 0.6656141), wk = 0.0025773 k( 94) = ( 0.0000000 0.8047867 0.6857843), wk = 0.0025773 k( 95) = ( 0.0000000 0.8047867 0.7059544), wk = 0.0025773 k( 96) = ( 0.0000000 0.8047867 0.7059544), wk = 0.0025773 k( 97) = ( 0.0200239 0.8047867 0.7059544), wk = 0.0025773 k( 98) = ( 0.0400477 0.8047867 0.7059544), wk = 0.0025773 k( 99) = ( 0.0600716 0.8047867 0.7059544), wk = 0.0025773 k( 100) = ( 0.0800954 0.8047867 0.7059544), wk = 0.0025773 k( 101) = ( 0.1001193 0.8047867 0.7059544), wk = 0.0025773 k( 102) = ( 0.1201432 0.8047867 0.7059544), wk = 0.0025773 k( 103) = ( 0.1401670 0.8047867 0.7059544), wk = 0.0025773 k( 104) = ( 0.1601909 0.8047867 0.7059544), wk = 0.0025773 k( 105) = ( 0.1802147 0.8047867 0.7059544), wk = 0.0025773 k( 106) = ( 0.2002386 0.8047867 0.7059544), wk = 0.0025773 k( 107) = ( 0.2202624 0.8047867 0.7059544), wk = 0.0025773 k( 108) = ( 0.2402863 0.8047867 0.7059544), wk = 0.0025773 k( 109) = ( 0.2603102 0.8047867 0.7059544), wk = 0.0025773 k( 110) = ( 0.2803340 0.8047867 0.7059544), wk = 0.0025773 k( 111) = ( 0.2803340 0.8047867 0.7059544), wk = 0.0025773 k( 112) = ( 0.2738146 0.7860707 0.7059544), wk = 0.0025773 k( 113) = ( 0.2672952 0.7673548 0.7059544), wk = 0.0025773 k( 114) = ( 0.2607758 0.7486388 0.7059544), wk = 0.0025773 k( 115) = ( 0.2542564 0.7299228 0.7059544), wk = 0.0025773 k( 116) = ( 0.2477370 0.7112068 0.7059544), wk = 0.0025773 k( 117) = ( 0.2412177 0.6924909 0.7059544), wk = 0.0025773 k( 118) = ( 0.2346983 0.6737749 0.7059544), wk = 0.0025773 k( 119) = ( 0.2281789 0.6550589 0.7059544), wk = 0.0025773 k( 120) = ( 0.2216595 0.6363429 0.7059544), wk = 0.0025773 k( 121) = ( 0.2151401 0.6176270 0.7059544), wk = 0.0025773 k( 122) = ( 0.2086207 0.5989110 0.7059544), wk = 0.0025773 k( 123) = ( 0.2021013 0.5801951 0.7059544), wk = 0.0025773 k( 124) = ( 0.1955819 0.5614791 0.7059544), wk = 0.0025773 k( 125) = ( 0.1890625 0.5427631 0.7059544), wk = 0.0025773 k( 126) = ( 0.1825431 0.5240471 0.7059544), wk = 0.0025773 k( 127) = ( 0.1760237 0.5053312 0.7059544), wk = 0.0025773 k( 128) = ( 0.1695043 0.4866152 0.7059544), wk = 0.0025773 k( 129) = ( 0.1629849 0.4678992 0.7059544), wk = 0.0025773 k( 130) = ( 0.1564655 0.4491833 0.7059544), wk = 0.0025773 k( 131) = ( 0.1499461 0.4304673 0.7059544), wk = 0.0025773 k( 132) = ( 0.1434267 0.4117513 0.7059544), wk = 0.0025773 k( 133) = ( 0.1369073 0.3930354 0.7059544), wk = 0.0025773 k( 134) = ( 0.1303879 0.3743194 0.7059544), wk = 0.0025773 k( 135) = ( 0.1238685 0.3556034 0.7059544), wk = 0.0025773 k( 136) = ( 0.1173491 0.3368875 0.7059544), wk = 0.0025773 k( 137) = ( 0.1108297 0.3181715 0.7059544), wk = 0.0025773 k( 138) = ( 0.1043103 0.2994555 0.7059544), wk = 0.0025773 k( 139) = ( 0.0977909 0.2807395 0.7059544), wk = 0.0025773 k( 140) = ( 0.0912715 0.2620236 0.7059544), wk = 0.0025773 k( 141) = ( 0.0847521 0.2433076 0.7059544), wk = 0.0025773 k( 142) = ( 0.0782328 0.2245916 0.7059544), wk = 0.0025773 k( 143) = ( 0.0717134 0.2058757 0.7059544), wk = 0.0025773 k( 144) = ( 0.0651940 0.1871597 0.7059544), wk = 0.0025773 k( 145) = ( 0.0586746 0.1684437 0.7059544), wk = 0.0025773 k( 146) = ( 0.0521552 0.1497278 0.7059544), wk = 0.0025773 k( 147) = ( 0.0456358 0.1310118 0.7059544), wk = 0.0025773 k( 148) = ( 0.0391164 0.1122958 0.7059544), wk = 0.0025773 k( 149) = ( 0.0325970 0.0935798 0.7059544), wk = 0.0025773 k( 150) = ( 0.0260776 0.0748639 0.7059544), wk = 0.0025773 k( 151) = ( 0.0195582 0.0561479 0.7059544), wk = 0.0025773 k( 152) = ( 0.0130388 0.0374319 0.7059544), wk = 0.0025773 k( 153) = ( 0.0065194 0.0187160 0.7059544), wk = 0.0025773 k( 154) = ( 0.0000000 0.0000000 0.7059544), wk = 0.0025773 k( 155) = ( 0.0000000 0.0000000 0.7059544), wk = 0.0025773 k( 156) = ( 0.0000000 0.0000000 0.6857843), wk = 0.0025773 k( 157) = ( 0.0000000 0.0000000 0.6656141), wk = 0.0025773 k( 158) = ( 0.0000000 0.0000000 0.6454440), wk = 0.0025773 k( 159) = ( 0.0000000 0.0000000 0.6252739), wk = 0.0025773 k( 160) = ( 0.0000000 0.0000000 0.6051038), wk = 0.0025773 k( 161) = ( 0.0000000 0.0000000 0.5849336), wk = 0.0025773 k( 162) = ( 0.0000000 0.0000000 0.5647635), wk = 0.0025773 k( 163) = ( 0.0000000 0.0000000 0.5445934), wk = 0.0025773 k( 164) = ( 0.0000000 0.0000000 0.5244233), wk = 0.0025773 k( 165) = ( 0.0000000 0.0000000 0.5042531), wk = 0.0025773 k( 166) = ( 0.0000000 0.0000000 0.4840830), wk = 0.0025773 k( 167) = ( 0.0000000 0.0000000 0.4639129), wk = 0.0025773 k( 168) = ( 0.0000000 0.0000000 0.4437428), wk = 0.0025773 k( 169) = ( 0.0000000 0.0000000 0.4235726), wk = 0.0025773 k( 170) = ( 0.0000000 0.0000000 0.4034025), wk = 0.0025773 k( 171) = ( 0.0000000 0.0000000 0.3832324), wk = 0.0025773 k( 172) = ( 0.0000000 0.0000000 0.3630623), wk = 0.0025773 k( 173) = ( 0.0000000 0.0000000 0.3428921), wk = 0.0025773 k( 174) = ( 0.0000000 0.0000000 0.3227220), wk = 0.0025773 k( 175) = ( 0.0000000 0.0000000 0.3025519), wk = 0.0025773 k( 176) = ( 0.0000000 0.0000000 0.2823818), wk = 0.0025773 k( 177) = ( 0.0000000 0.0000000 0.2622116), wk = 0.0025773 k( 178) = ( 0.0000000 0.0000000 0.2420415), wk = 0.0025773 k( 179) = ( 0.0000000 0.0000000 0.2218714), wk = 0.0025773 k( 180) = ( 0.0000000 0.0000000 0.2017013), wk = 0.0025773 k( 181) = ( 0.0000000 0.0000000 0.1815311), wk = 0.0025773 k( 182) = ( 0.0000000 0.0000000 0.1613610), wk = 0.0025773 k( 183) = ( 0.0000000 0.0000000 0.1411909), wk = 0.0025773 k( 184) = ( 0.0000000 0.0000000 0.1210208), wk = 0.0025773 k( 185) = ( 0.0000000 0.0000000 0.1008506), wk = 0.0025773 k( 186) = ( 0.0000000 0.0000000 0.0806805), wk = 0.0025773 k( 187) = ( 0.0000000 0.0000000 0.0605104), wk = 0.0025773 k( 188) = ( 0.0000000 0.0000000 0.0403403), wk = 0.0025773 k( 189) = ( 0.0000000 0.0000000 0.0201701), wk = 0.0025773 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 192) = ( -0.0185185 0.0064506 0.0000000), wk = 0.0025773 k( 193) = ( -0.0370370 0.0129012 0.0000000), wk = 0.0025773 k( 194) = ( -0.0555556 0.0193519 0.0000000), wk = 0.0025773 k( 195) = ( -0.0740741 0.0258025 0.0000000), wk = 0.0025773 k( 196) = ( -0.0925926 0.0322531 0.0000000), wk = 0.0025773 k( 197) = ( -0.1111111 0.0387037 0.0000000), wk = 0.0025773 k( 198) = ( -0.1296296 0.0451543 0.0000000), wk = 0.0025773 k( 199) = ( -0.1481482 0.0516049 0.0000000), wk = 0.0025773 k( 200) = ( -0.1666667 0.0580556 0.0000000), wk = 0.0025773 k( 201) = ( -0.1851852 0.0645062 0.0000000), wk = 0.0025773 k( 202) = ( -0.2037037 0.0709568 0.0000000), wk = 0.0025773 k( 203) = ( -0.2222222 0.0774074 0.0000000), wk = 0.0025773 k( 204) = ( -0.2407407 0.0838580 0.0000000), wk = 0.0025773 k( 205) = ( -0.2592593 0.0903086 0.0000000), wk = 0.0025773 k( 206) = ( -0.2777778 0.0967593 0.0000000), wk = 0.0025773 k( 207) = ( -0.2962963 0.1032099 0.0000000), wk = 0.0025773 k( 208) = ( -0.3148148 0.1096605 0.0000000), wk = 0.0025773 k( 209) = ( -0.3333333 0.1161111 0.0000000), wk = 0.0025773 k( 210) = ( -0.3518519 0.1225617 0.0000000), wk = 0.0025773 k( 211) = ( -0.3703704 0.1290123 0.0000000), wk = 0.0025773 k( 212) = ( -0.3888889 0.1354630 0.0000000), wk = 0.0025773 k( 213) = ( -0.4074074 0.1419136 0.0000000), wk = 0.0025773 k( 214) = ( -0.4259259 0.1483642 0.0000000), wk = 0.0025773 k( 215) = ( -0.4444444 0.1548148 0.0000000), wk = 0.0025773 k( 216) = ( -0.4629630 0.1612654 0.0000000), wk = 0.0025773 k( 217) = ( -0.4814815 0.1677160 0.0000000), wk = 0.0025773 k( 218) = ( -0.5000000 0.1741667 0.0000000), wk = 0.0025773 k( 219) = ( -0.5000000 0.1741667 0.0000000), wk = 0.0025773 k( 220) = ( -0.4935392 0.1927143 -0.0000000), wk = 0.0025773 k( 221) = ( -0.4870785 0.2112620 -0.0000000), wk = 0.0025773 k( 222) = ( -0.4806177 0.2298096 -0.0000000), wk = 0.0025773 k( 223) = ( -0.4741569 0.2483573 -0.0000000), wk = 0.0025773 k( 224) = ( -0.4676962 0.2669049 -0.0000000), wk = 0.0025773 k( 225) = ( -0.4612354 0.2854525 -0.0000000), wk = 0.0025773 k( 226) = ( -0.4547747 0.3040002 -0.0000000), wk = 0.0025773 k( 227) = ( -0.4483139 0.3225478 -0.0000000), wk = 0.0025773 k( 228) = ( -0.4418531 0.3410955 -0.0000000), wk = 0.0025773 k( 229) = ( -0.4353924 0.3596431 -0.0000000), wk = 0.0025773 k( 230) = ( -0.4289316 0.3781908 -0.0000000), wk = 0.0025773 k( 231) = ( -0.4224708 0.3967384 -0.0000000), wk = 0.0025773 k( 232) = ( -0.4160101 0.4152861 -0.0000000), wk = 0.0025773 k( 233) = ( -0.4095493 0.4338337 -0.0000000), wk = 0.0025773 k( 234) = ( -0.4030885 0.4523814 -0.0000000), wk = 0.0025773 k( 235) = ( -0.3966278 0.4709290 -0.0000000), wk = 0.0025773 k( 236) = ( -0.3901670 0.4894767 -0.0000000), wk = 0.0025773 k( 237) = ( -0.3837063 0.5080243 -0.0000000), wk = 0.0025773 k( 238) = ( -0.3772455 0.5265720 -0.0000000), wk = 0.0025773 k( 239) = ( -0.3707847 0.5451196 -0.0000000), wk = 0.0025773 k( 240) = ( -0.3643240 0.5636673 -0.0000000), wk = 0.0025773 k( 241) = ( -0.3578632 0.5822149 -0.0000000), wk = 0.0025773 k( 242) = ( -0.3514024 0.6007626 -0.0000000), wk = 0.0025773 k( 243) = ( -0.3449417 0.6193102 -0.0000000), wk = 0.0025773 k( 244) = ( -0.3384809 0.6378579 -0.0000000), wk = 0.0025773 k( 245) = ( -0.3320201 0.6564055 -0.0000000), wk = 0.0025773 k( 246) = ( -0.3255594 0.6749531 -0.0000000), wk = 0.0025773 k( 247) = ( -0.3190986 0.6935008 -0.0000000), wk = 0.0025773 k( 248) = ( -0.3126378 0.7120484 -0.0000000), wk = 0.0025773 k( 249) = ( -0.3061771 0.7305961 -0.0000000), wk = 0.0025773 k( 250) = ( -0.2997163 0.7491437 -0.0000000), wk = 0.0025773 k( 251) = ( -0.2932556 0.7676914 -0.0000000), wk = 0.0025773 k( 252) = ( -0.2867948 0.7862390 -0.0000000), wk = 0.0025773 k( 253) = ( -0.2803340 0.8047867 -0.0000000), wk = 0.0025773 k( 254) = ( -0.2803340 0.8047867 -0.0000000), wk = 0.0025773 k( 255) = ( -0.2803340 0.8047867 0.0201701), wk = 0.0025773 k( 256) = ( -0.2803340 0.8047867 0.0403403), wk = 0.0025773 k( 257) = ( -0.2803340 0.8047867 0.0605104), wk = 0.0025773 k( 258) = ( -0.2803340 0.8047867 0.0806805), wk = 0.0025773 k( 259) = ( -0.2803340 0.8047867 0.1008506), wk = 0.0025773 k( 260) = ( -0.2803340 0.8047867 0.1210208), wk = 0.0025773 k( 261) = ( -0.2803340 0.8047867 0.1411909), wk = 0.0025773 k( 262) = ( -0.2803340 0.8047867 0.1613610), wk = 0.0025773 k( 263) = ( -0.2803340 0.8047867 0.1815311), wk = 0.0025773 k( 264) = ( -0.2803340 0.8047867 0.2017013), wk = 0.0025773 k( 265) = ( -0.2803340 0.8047867 0.2218714), wk = 0.0025773 k( 266) = ( -0.2803340 0.8047867 0.2420415), wk = 0.0025773 k( 267) = ( -0.2803340 0.8047867 0.2622116), wk = 0.0025773 k( 268) = ( -0.2803340 0.8047867 0.2823818), wk = 0.0025773 k( 269) = ( -0.2803340 0.8047867 0.3025519), wk = 0.0025773 k( 270) = ( -0.2803340 0.8047867 0.3227220), wk = 0.0025773 k( 271) = ( -0.2803340 0.8047867 0.3428921), wk = 0.0025773 k( 272) = ( -0.2803340 0.8047867 0.3630623), wk = 0.0025773 k( 273) = ( -0.2803340 0.8047867 0.3832324), wk = 0.0025773 k( 274) = ( -0.2803340 0.8047867 0.4034025), wk = 0.0025773 k( 275) = ( -0.2803340 0.8047867 0.4235726), wk = 0.0025773 k( 276) = ( -0.2803340 0.8047867 0.4437428), wk = 0.0025773 k( 277) = ( -0.2803340 0.8047867 0.4639129), wk = 0.0025773 k( 278) = ( -0.2803340 0.8047867 0.4840830), wk = 0.0025773 k( 279) = ( -0.2803340 0.8047867 0.5042531), wk = 0.0025773 k( 280) = ( -0.2803340 0.8047867 0.5244233), wk = 0.0025773 k( 281) = ( -0.2803340 0.8047867 0.5445934), wk = 0.0025773 k( 282) = ( -0.2803340 0.8047867 0.5647635), wk = 0.0025773 k( 283) = ( -0.2803340 0.8047867 0.5849336), wk = 0.0025773 k( 284) = ( -0.2803340 0.8047867 0.6051038), wk = 0.0025773 k( 285) = ( -0.2803340 0.8047867 0.6252739), wk = 0.0025773 k( 286) = ( -0.2803340 0.8047867 0.6454440), wk = 0.0025773 k( 287) = ( -0.2803340 0.8047867 0.6656141), wk = 0.0025773 k( 288) = ( -0.2803340 0.8047867 0.6857843), wk = 0.0025773 k( 289) = ( -0.2803340 0.8047867 0.7059544), wk = 0.0025773 k( 290) = ( -0.2803340 0.8047867 0.7059544), wk = 0.0025773 k( 291) = ( -0.2867948 0.7862390 0.7059544), wk = 0.0025773 k( 292) = ( -0.2932556 0.7676914 0.7059544), wk = 0.0025773 k( 293) = ( -0.2997163 0.7491437 0.7059544), wk = 0.0025773 k( 294) = ( -0.3061771 0.7305961 0.7059544), wk = 0.0025773 k( 295) = ( -0.3126378 0.7120484 0.7059544), wk = 0.0025773 k( 296) = ( -0.3190986 0.6935008 0.7059544), wk = 0.0025773 k( 297) = ( -0.3255594 0.6749531 0.7059544), wk = 0.0025773 k( 298) = ( -0.3320201 0.6564055 0.7059544), wk = 0.0025773 k( 299) = ( -0.3384809 0.6378579 0.7059544), wk = 0.0025773 k( 300) = ( -0.3449417 0.6193102 0.7059544), wk = 0.0025773 k( 301) = ( -0.3514024 0.6007626 0.7059544), wk = 0.0025773 k( 302) = ( -0.3578632 0.5822149 0.7059544), wk = 0.0025773 k( 303) = ( -0.3643240 0.5636673 0.7059544), wk = 0.0025773 k( 304) = ( -0.3707847 0.5451196 0.7059544), wk = 0.0025773 k( 305) = ( -0.3772455 0.5265720 0.7059544), wk = 0.0025773 k( 306) = ( -0.3837063 0.5080243 0.7059544), wk = 0.0025773 k( 307) = ( -0.3901670 0.4894767 0.7059544), wk = 0.0025773 k( 308) = ( -0.3966278 0.4709290 0.7059544), wk = 0.0025773 k( 309) = ( -0.4030885 0.4523814 0.7059544), wk = 0.0025773 k( 310) = ( -0.4095493 0.4338337 0.7059544), wk = 0.0025773 k( 311) = ( -0.4160101 0.4152861 0.7059544), wk = 0.0025773 k( 312) = ( -0.4224708 0.3967384 0.7059544), wk = 0.0025773 k( 313) = ( -0.4289316 0.3781908 0.7059544), wk = 0.0025773 k( 314) = ( -0.4353924 0.3596431 0.7059544), wk = 0.0025773 k( 315) = ( -0.4418531 0.3410955 0.7059544), wk = 0.0025773 k( 316) = ( -0.4483139 0.3225478 0.7059544), wk = 0.0025773 k( 317) = ( -0.4547747 0.3040002 0.7059544), wk = 0.0025773 k( 318) = ( -0.4612354 0.2854525 0.7059544), wk = 0.0025773 k( 319) = ( -0.4676962 0.2669049 0.7059544), wk = 0.0025773 k( 320) = ( -0.4741569 0.2483573 0.7059544), wk = 0.0025773 k( 321) = ( -0.4806177 0.2298096 0.7059544), wk = 0.0025773 k( 322) = ( -0.4870785 0.2112620 0.7059544), wk = 0.0025773 k( 323) = ( -0.4935392 0.1927143 0.7059544), wk = 0.0025773 k( 324) = ( -0.5000000 0.1741667 0.7059544), wk = 0.0025773 k( 325) = ( -0.5000000 0.1741667 0.7059544), wk = 0.0025773 k( 326) = ( -0.5000000 0.1741667 0.6857843), wk = 0.0025773 k( 327) = ( -0.5000000 0.1741667 0.6656141), wk = 0.0025773 k( 328) = ( -0.5000000 0.1741667 0.6454440), wk = 0.0025773 k( 329) = ( -0.5000000 0.1741667 0.6252739), wk = 0.0025773 k( 330) = ( -0.5000000 0.1741667 0.6051038), wk = 0.0025773 k( 331) = ( -0.5000000 0.1741667 0.5849336), wk = 0.0025773 k( 332) = ( -0.5000000 0.1741667 0.5647635), wk = 0.0025773 k( 333) = ( -0.5000000 0.1741667 0.5445934), wk = 0.0025773 k( 334) = ( -0.5000000 0.1741667 0.5244233), wk = 0.0025773 k( 335) = ( -0.5000000 0.1741667 0.5042531), wk = 0.0025773 k( 336) = ( -0.5000000 0.1741667 0.4840830), wk = 0.0025773 k( 337) = ( -0.5000000 0.1741667 0.4639129), wk = 0.0025773 k( 338) = ( -0.5000000 0.1741667 0.4437428), wk = 0.0025773 k( 339) = ( -0.5000000 0.1741667 0.4235726), wk = 0.0025773 k( 340) = ( -0.5000000 0.1741667 0.4034025), wk = 0.0025773 k( 341) = ( -0.5000000 0.1741667 0.3832324), wk = 0.0025773 k( 342) = ( -0.5000000 0.1741667 0.3630623), wk = 0.0025773 k( 343) = ( -0.5000000 0.1741667 0.3428921), wk = 0.0025773 k( 344) = ( -0.5000000 0.1741667 0.3227220), wk = 0.0025773 k( 345) = ( -0.5000000 0.1741667 0.3025519), wk = 0.0025773 k( 346) = ( -0.5000000 0.1741667 0.2823818), wk = 0.0025773 k( 347) = ( -0.5000000 0.1741667 0.2622116), wk = 0.0025773 k( 348) = ( -0.5000000 0.1741667 0.2420415), wk = 0.0025773 k( 349) = ( -0.5000000 0.1741667 0.2218714), wk = 0.0025773 k( 350) = ( -0.5000000 0.1741667 0.2017013), wk = 0.0025773 k( 351) = ( -0.5000000 0.1741667 0.1815311), wk = 0.0025773 k( 352) = ( -0.5000000 0.1741667 0.1613610), wk = 0.0025773 k( 353) = ( -0.5000000 0.1741667 0.1411909), wk = 0.0025773 k( 354) = ( -0.5000000 0.1741667 0.1210208), wk = 0.0025773 k( 355) = ( -0.5000000 0.1741667 0.1008506), wk = 0.0025773 k( 356) = ( -0.5000000 0.1741667 0.0806805), wk = 0.0025773 k( 357) = ( -0.5000000 0.1741667 0.0605104), wk = 0.0025773 k( 358) = ( -0.5000000 0.1741667 0.0403403), wk = 0.0025773 k( 359) = ( -0.5000000 0.1741667 0.0201701), wk = 0.0025773 k( 360) = ( -0.5000000 0.1741667 0.0000000), wk = 0.0025773 k( 361) = ( 0.0000000 0.0000000 0.7059544), wk = 0.0025773 k( 362) = ( -0.0185185 0.0064506 0.7059544), wk = 0.0025773 k( 363) = ( -0.0370370 0.0129012 0.7059544), wk = 0.0025773 k( 364) = ( -0.0555556 0.0193519 0.7059544), wk = 0.0025773 k( 365) = ( -0.0740741 0.0258025 0.7059544), wk = 0.0025773 k( 366) = ( -0.0925926 0.0322531 0.7059544), wk = 0.0025773 k( 367) = ( -0.1111111 0.0387037 0.7059544), wk = 0.0025773 k( 368) = ( -0.1296296 0.0451543 0.7059544), wk = 0.0025773 k( 369) = ( -0.1481482 0.0516049 0.7059544), wk = 0.0025773 k( 370) = ( -0.1666667 0.0580556 0.7059544), wk = 0.0025773 k( 371) = ( -0.1851852 0.0645062 0.7059544), wk = 0.0025773 k( 372) = ( -0.2037037 0.0709568 0.7059544), wk = 0.0025773 k( 373) = ( -0.2222222 0.0774074 0.7059544), wk = 0.0025773 k( 374) = ( -0.2407407 0.0838580 0.7059544), wk = 0.0025773 k( 375) = ( -0.2592593 0.0903086 0.7059544), wk = 0.0025773 k( 376) = ( -0.2777778 0.0967593 0.7059544), wk = 0.0025773 k( 377) = ( -0.2962963 0.1032099 0.7059544), wk = 0.0025773 k( 378) = ( -0.3148148 0.1096605 0.7059544), wk = 0.0025773 k( 379) = ( -0.3333333 0.1161111 0.7059544), wk = 0.0025773 k( 380) = ( -0.3518519 0.1225617 0.7059544), wk = 0.0025773 k( 381) = ( -0.3703704 0.1290123 0.7059544), wk = 0.0025773 k( 382) = ( -0.3888889 0.1354630 0.7059544), wk = 0.0025773 k( 383) = ( -0.4074074 0.1419136 0.7059544), wk = 0.0025773 k( 384) = ( -0.4259259 0.1483642 0.7059544), wk = 0.0025773 k( 385) = ( -0.4444444 0.1548148 0.7059544), wk = 0.0025773 k( 386) = ( -0.4629630 0.1612654 0.7059544), wk = 0.0025773 k( 387) = ( -0.4814815 0.1677160 0.7059544), wk = 0.0025773 k( 388) = ( -0.5000000 0.1741667 0.7059544), wk = 0.0025773 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 2) = ( 0.0065194 0.0065194 0.0000000), wk = 0.0025773 k( 3) = ( 0.0130388 0.0130388 0.0000000), wk = 0.0025773 k( 4) = ( 0.0195582 0.0195582 -0.0000000), wk = 0.0025773 k( 5) = ( 0.0260776 0.0260776 0.0000000), wk = 0.0025773 k( 6) = ( 0.0325970 0.0325970 0.0000000), wk = 0.0025773 k( 7) = ( 0.0391164 0.0391164 -0.0000000), wk = 0.0025773 k( 8) = ( 0.0456358 0.0456358 0.0000000), wk = 0.0025773 k( 9) = ( 0.0521552 0.0521552 -0.0000000), wk = 0.0025773 k( 10) = ( 0.0586746 0.0586746 0.0000000), wk = 0.0025773 k( 11) = ( 0.0651940 0.0651940 0.0000000), wk = 0.0025773 k( 12) = ( 0.0717134 0.0717134 -0.0000000), wk = 0.0025773 k( 13) = ( 0.0782328 0.0782328 0.0000000), wk = 0.0025773 k( 14) = ( 0.0847521 0.0847522 0.0000000), wk = 0.0025773 k( 15) = ( 0.0912715 0.0912715 0.0000000), wk = 0.0025773 k( 16) = ( 0.0977909 0.0977909 0.0000000), wk = 0.0025773 k( 17) = ( 0.1043103 0.1043103 -0.0000000), wk = 0.0025773 k( 18) = ( 0.1108297 0.1108297 0.0000000), wk = 0.0025773 k( 19) = ( 0.1173491 0.1173491 0.0000000), wk = 0.0025773 k( 20) = ( 0.1238685 0.1238685 0.0000000), wk = 0.0025773 k( 21) = ( 0.1303879 0.1303879 0.0000000), wk = 0.0025773 k( 22) = ( 0.1369073 0.1369073 0.0000000), wk = 0.0025773 k( 23) = ( 0.1434267 0.1434267 0.0000000), wk = 0.0025773 k( 24) = ( 0.1499461 0.1499461 0.0000000), wk = 0.0025773 k( 25) = ( 0.1564655 0.1564655 0.0000000), wk = 0.0025773 k( 26) = ( 0.1629849 0.1629849 -0.0000000), wk = 0.0025773 k( 27) = ( 0.1695043 0.1695043 0.0000000), wk = 0.0025773 k( 28) = ( 0.1760237 0.1760237 0.0000000), wk = 0.0025773 k( 29) = ( 0.1825431 0.1825431 0.0000000), wk = 0.0025773 k( 30) = ( 0.1890625 0.1890625 -0.0000000), wk = 0.0025773 k( 31) = ( 0.1955819 0.1955819 0.0000000), wk = 0.0025773 k( 32) = ( 0.2021013 0.2021013 0.0000000), wk = 0.0025773 k( 33) = ( 0.2086207 0.2086207 -0.0000000), wk = 0.0025773 k( 34) = ( 0.2151401 0.2151401 0.0000000), wk = 0.0025773 k( 35) = ( 0.2216595 0.2216595 0.0000000), wk = 0.0025773 k( 36) = ( 0.2281789 0.2281789 0.0000000), wk = 0.0025773 k( 37) = ( 0.2346983 0.2346983 0.0000000), wk = 0.0025773 k( 38) = ( 0.2412177 0.2412177 0.0000000), wk = 0.0025773 k( 39) = ( 0.2477370 0.2477371 0.0000000), wk = 0.0025773 k( 40) = ( 0.2542564 0.2542564 -0.0000000), wk = 0.0025773 k( 41) = ( 0.2607758 0.2607758 0.0000000), wk = 0.0025773 k( 42) = ( 0.2672952 0.2672952 0.0000000), wk = 0.0025773 k( 43) = ( 0.2738146 0.2738146 0.0000000), wk = 0.0025773 k( 44) = ( 0.2803340 0.2803340 0.0000000), wk = 0.0025773 k( 45) = ( 0.2803340 0.2803340 0.0000000), wk = 0.0025773 k( 46) = ( 0.2603102 0.2960244 0.0000000), wk = 0.0025773 k( 47) = ( 0.2402863 0.3117149 -0.0000000), wk = 0.0025773 k( 48) = ( 0.2202624 0.3274053 0.0000000), wk = 0.0025773 k( 49) = ( 0.2002386 0.3430957 0.0000000), wk = 0.0025773 k( 50) = ( 0.1802147 0.3587862 0.0000000), wk = 0.0025773 k( 51) = ( 0.1601909 0.3744766 0.0000000), wk = 0.0025773 k( 52) = ( 0.1401670 0.3901670 0.0000000), wk = 0.0025773 k( 53) = ( 0.1201432 0.4058574 0.0000000), wk = 0.0025773 k( 54) = ( 0.1001193 0.4215479 -0.0000000), wk = 0.0025773 k( 55) = ( 0.0800954 0.4372383 0.0000000), wk = 0.0025773 k( 56) = ( 0.0600716 0.4529287 0.0000000), wk = 0.0025773 k( 57) = ( 0.0400477 0.4686191 0.0000000), wk = 0.0025773 k( 58) = ( 0.0200239 0.4843096 0.0000000), wk = 0.0025773 k( 59) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025773 k( 60) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025773 k( 61) = ( 0.0000000 0.5000000 0.0142857), wk = 0.0025773 k( 62) = ( 0.0000000 0.5000000 0.0285714), wk = 0.0025773 k( 63) = ( 0.0000000 0.5000000 0.0428571), wk = 0.0025773 k( 64) = ( 0.0000000 0.5000000 0.0571429), wk = 0.0025773 k( 65) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0025773 k( 66) = ( 0.0000000 0.5000000 0.0857143), wk = 0.0025773 k( 67) = ( 0.0000000 0.5000000 0.1000000), wk = 0.0025773 k( 68) = ( 0.0000000 0.5000000 0.1142857), wk = 0.0025773 k( 69) = ( 0.0000000 0.5000000 0.1285714), wk = 0.0025773 k( 70) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0025773 k( 71) = ( 0.0000000 0.5000000 0.1571429), wk = 0.0025773 k( 72) = ( 0.0000000 0.5000000 0.1714286), wk = 0.0025773 k( 73) = ( 0.0000000 0.5000000 0.1857143), wk = 0.0025773 k( 74) = ( 0.0000000 0.5000000 0.2000000), wk = 0.0025773 k( 75) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0025773 k( 76) = ( 0.0000000 0.5000000 0.2285714), wk = 0.0025773 k( 77) = ( 0.0000000 0.5000000 0.2428571), wk = 0.0025773 k( 78) = ( 0.0000000 0.5000000 0.2571429), wk = 0.0025773 k( 79) = ( 0.0000000 0.5000000 0.2714286), wk = 0.0025773 k( 80) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0025773 k( 81) = ( 0.0000000 0.5000000 0.3000000), wk = 0.0025773 k( 82) = ( 0.0000000 0.5000000 0.3142857), wk = 0.0025773 k( 83) = ( 0.0000000 0.5000000 0.3285714), wk = 0.0025773 k( 84) = ( 0.0000000 0.5000000 0.3428571), wk = 0.0025773 k( 85) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0025773 k( 86) = ( 0.0000000 0.5000000 0.3714286), wk = 0.0025773 k( 87) = ( 0.0000000 0.5000000 0.3857143), wk = 0.0025773 k( 88) = ( 0.0000000 0.5000000 0.4000000), wk = 0.0025773 k( 89) = ( 0.0000000 0.5000000 0.4142857), wk = 0.0025773 k( 90) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0025773 k( 91) = ( 0.0000000 0.5000000 0.4428571), wk = 0.0025773 k( 92) = ( 0.0000000 0.5000000 0.4571429), wk = 0.0025773 k( 93) = ( 0.0000000 0.5000000 0.4714286), wk = 0.0025773 k( 94) = ( 0.0000000 0.5000000 0.4857143), wk = 0.0025773 k( 95) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025773 k( 96) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025773 k( 97) = ( 0.0200239 0.4843096 0.5000000), wk = 0.0025773 k( 98) = ( 0.0400477 0.4686191 0.5000000), wk = 0.0025773 k( 99) = ( 0.0600716 0.4529287 0.5000000), wk = 0.0025773 k( 100) = ( 0.0800954 0.4372383 0.5000000), wk = 0.0025773 k( 101) = ( 0.1001193 0.4215479 0.5000000), wk = 0.0025773 k( 102) = ( 0.1201432 0.4058574 0.5000000), wk = 0.0025773 k( 103) = ( 0.1401670 0.3901670 0.5000000), wk = 0.0025773 k( 104) = ( 0.1601909 0.3744766 0.5000000), wk = 0.0025773 k( 105) = ( 0.1802147 0.3587862 0.5000000), wk = 0.0025773 k( 106) = ( 0.2002386 0.3430957 0.5000000), wk = 0.0025773 k( 107) = ( 0.2202624 0.3274053 0.5000000), wk = 0.0025773 k( 108) = ( 0.2402863 0.3117149 0.5000000), wk = 0.0025773 k( 109) = ( 0.2603102 0.2960244 0.5000000), wk = 0.0025773 k( 110) = ( 0.2803340 0.2803340 0.5000000), wk = 0.0025773 k( 111) = ( 0.2803340 0.2803340 0.5000000), wk = 0.0025773 k( 112) = ( 0.2738146 0.2738146 0.5000000), wk = 0.0025773 k( 113) = ( 0.2672952 0.2672952 0.5000000), wk = 0.0025773 k( 114) = ( 0.2607758 0.2607758 0.5000000), wk = 0.0025773 k( 115) = ( 0.2542564 0.2542564 0.5000000), wk = 0.0025773 k( 116) = ( 0.2477370 0.2477371 0.5000000), wk = 0.0025773 k( 117) = ( 0.2412177 0.2412177 0.5000000), wk = 0.0025773 k( 118) = ( 0.2346983 0.2346983 0.5000000), wk = 0.0025773 k( 119) = ( 0.2281789 0.2281789 0.5000000), wk = 0.0025773 k( 120) = ( 0.2216595 0.2216595 0.5000000), wk = 0.0025773 k( 121) = ( 0.2151401 0.2151401 0.5000000), wk = 0.0025773 k( 122) = ( 0.2086207 0.2086207 0.5000000), wk = 0.0025773 k( 123) = ( 0.2021013 0.2021013 0.5000000), wk = 0.0025773 k( 124) = ( 0.1955819 0.1955819 0.5000000), wk = 0.0025773 k( 125) = ( 0.1890625 0.1890625 0.5000000), wk = 0.0025773 k( 126) = ( 0.1825431 0.1825431 0.5000000), wk = 0.0025773 k( 127) = ( 0.1760237 0.1760237 0.5000000), wk = 0.0025773 k( 128) = ( 0.1695043 0.1695043 0.5000000), wk = 0.0025773 k( 129) = ( 0.1629849 0.1629849 0.5000000), wk = 0.0025773 k( 130) = ( 0.1564655 0.1564655 0.5000000), wk = 0.0025773 k( 131) = ( 0.1499461 0.1499461 0.5000000), wk = 0.0025773 k( 132) = ( 0.1434267 0.1434267 0.5000000), wk = 0.0025773 k( 133) = ( 0.1369073 0.1369073 0.5000000), wk = 0.0025773 k( 134) = ( 0.1303879 0.1303879 0.5000000), wk = 0.0025773 k( 135) = ( 0.1238685 0.1238685 0.5000000), wk = 0.0025773 k( 136) = ( 0.1173491 0.1173491 0.5000000), wk = 0.0025773 k( 137) = ( 0.1108297 0.1108297 0.5000000), wk = 0.0025773 k( 138) = ( 0.1043103 0.1043103 0.5000000), wk = 0.0025773 k( 139) = ( 0.0977909 0.0977909 0.5000000), wk = 0.0025773 k( 140) = ( 0.0912715 0.0912715 0.5000000), wk = 0.0025773 k( 141) = ( 0.0847521 0.0847522 0.5000000), wk = 0.0025773 k( 142) = ( 0.0782328 0.0782328 0.5000000), wk = 0.0025773 k( 143) = ( 0.0717134 0.0717134 0.5000000), wk = 0.0025773 k( 144) = ( 0.0651940 0.0651940 0.5000000), wk = 0.0025773 k( 145) = ( 0.0586746 0.0586746 0.5000000), wk = 0.0025773 k( 146) = ( 0.0521552 0.0521552 0.5000000), wk = 0.0025773 k( 147) = ( 0.0456358 0.0456358 0.5000000), wk = 0.0025773 k( 148) = ( 0.0391164 0.0391164 0.5000000), wk = 0.0025773 k( 149) = ( 0.0325970 0.0325970 0.5000000), wk = 0.0025773 k( 150) = ( 0.0260776 0.0260776 0.5000000), wk = 0.0025773 k( 151) = ( 0.0195582 0.0195582 0.5000000), wk = 0.0025773 k( 152) = ( 0.0130388 0.0130388 0.5000000), wk = 0.0025773 k( 153) = ( 0.0065194 0.0065194 0.5000000), wk = 0.0025773 k( 154) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 155) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 156) = ( 0.0000000 0.0000000 0.4857143), wk = 0.0025773 k( 157) = ( 0.0000000 0.0000000 0.4714286), wk = 0.0025773 k( 158) = ( 0.0000000 0.0000000 0.4571429), wk = 0.0025773 k( 159) = ( 0.0000000 0.0000000 0.4428571), wk = 0.0025773 k( 160) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0025773 k( 161) = ( 0.0000000 0.0000000 0.4142857), wk = 0.0025773 k( 162) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0025773 k( 163) = ( 0.0000000 0.0000000 0.3857143), wk = 0.0025773 k( 164) = ( 0.0000000 0.0000000 0.3714286), wk = 0.0025773 k( 165) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0025773 k( 166) = ( 0.0000000 0.0000000 0.3428571), wk = 0.0025773 k( 167) = ( 0.0000000 0.0000000 0.3285714), wk = 0.0025773 k( 168) = ( 0.0000000 0.0000000 0.3142857), wk = 0.0025773 k( 169) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0025773 k( 170) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0025773 k( 171) = ( 0.0000000 0.0000000 0.2714286), wk = 0.0025773 k( 172) = ( 0.0000000 0.0000000 0.2571429), wk = 0.0025773 k( 173) = ( 0.0000000 0.0000000 0.2428571), wk = 0.0025773 k( 174) = ( 0.0000000 0.0000000 0.2285714), wk = 0.0025773 k( 175) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0025773 k( 176) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0025773 k( 177) = ( 0.0000000 0.0000000 0.1857143), wk = 0.0025773 k( 178) = ( 0.0000000 0.0000000 0.1714286), wk = 0.0025773 k( 179) = ( 0.0000000 0.0000000 0.1571429), wk = 0.0025773 k( 180) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0025773 k( 181) = ( 0.0000000 0.0000000 0.1285714), wk = 0.0025773 k( 182) = ( 0.0000000 0.0000000 0.1142857), wk = 0.0025773 k( 183) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0025773 k( 184) = ( 0.0000000 0.0000000 0.0857143), wk = 0.0025773 k( 185) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0025773 k( 186) = ( 0.0000000 0.0000000 0.0571429), wk = 0.0025773 k( 187) = ( 0.0000000 0.0000000 0.0428571), wk = 0.0025773 k( 188) = ( 0.0000000 0.0000000 0.0285714), wk = 0.0025773 k( 189) = ( 0.0000000 0.0000000 0.0142857), wk = 0.0025773 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025773 k( 192) = ( -0.0185185 0.0185185 -0.0000000), wk = 0.0025773 k( 193) = ( -0.0370370 0.0370370 -0.0000000), wk = 0.0025773 k( 194) = ( -0.0555556 0.0555556 -0.0000000), wk = 0.0025773 k( 195) = ( -0.0740741 0.0740741 -0.0000000), wk = 0.0025773 k( 196) = ( -0.0925926 0.0925926 -0.0000000), wk = 0.0025773 k( 197) = ( -0.1111111 0.1111111 -0.0000000), wk = 0.0025773 k( 198) = ( -0.1296296 0.1296296 -0.0000000), wk = 0.0025773 k( 199) = ( -0.1481482 0.1481482 -0.0000000), wk = 0.0025773 k( 200) = ( -0.1666667 0.1666667 -0.0000000), wk = 0.0025773 k( 201) = ( -0.1851852 0.1851852 -0.0000000), wk = 0.0025773 k( 202) = ( -0.2037037 0.2037037 0.0000000), wk = 0.0025773 k( 203) = ( -0.2222222 0.2222222 -0.0000000), wk = 0.0025773 k( 204) = ( -0.2407407 0.2407407 -0.0000000), wk = 0.0025773 k( 205) = ( -0.2592593 0.2592593 -0.0000000), wk = 0.0025773 k( 206) = ( -0.2777778 0.2777778 -0.0000000), wk = 0.0025773 k( 207) = ( -0.2962963 0.2962963 -0.0000000), wk = 0.0025773 k( 208) = ( -0.3148148 0.3148148 -0.0000000), wk = 0.0025773 k( 209) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0025773 k( 210) = ( -0.3518519 0.3518519 0.0000000), wk = 0.0025773 k( 211) = ( -0.3703704 0.3703704 -0.0000000), wk = 0.0025773 k( 212) = ( -0.3888889 0.3888889 -0.0000000), wk = 0.0025773 k( 213) = ( -0.4074074 0.4074074 -0.0000000), wk = 0.0025773 k( 214) = ( -0.4259259 0.4259259 -0.0000000), wk = 0.0025773 k( 215) = ( -0.4444444 0.4444444 -0.0000000), wk = 0.0025773 k( 216) = ( -0.4629630 0.4629630 -0.0000000), wk = 0.0025773 k( 217) = ( -0.4814815 0.4814815 -0.0000000), wk = 0.0025773 k( 218) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0025773 k( 219) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0025773 k( 220) = ( -0.4935392 0.5064608 0.0000000), wk = 0.0025773 k( 221) = ( -0.4870785 0.5129215 -0.0000000), wk = 0.0025773 k( 222) = ( -0.4806177 0.5193823 -0.0000000), wk = 0.0025773 k( 223) = ( -0.4741569 0.5258431 -0.0000000), wk = 0.0025773 k( 224) = ( -0.4676962 0.5323038 -0.0000000), wk = 0.0025773 k( 225) = ( -0.4612354 0.5387646 0.0000000), wk = 0.0025773 k( 226) = ( -0.4547747 0.5452254 -0.0000000), wk = 0.0025773 k( 227) = ( -0.4483139 0.5516861 -0.0000000), wk = 0.0025773 k( 228) = ( -0.4418531 0.5581469 -0.0000000), wk = 0.0025773 k( 229) = ( -0.4353924 0.5646076 -0.0000000), wk = 0.0025773 k( 230) = ( -0.4289316 0.5710684 0.0000000), wk = 0.0025773 k( 231) = ( -0.4224708 0.5775292 -0.0000000), wk = 0.0025773 k( 232) = ( -0.4160101 0.5839899 -0.0000000), wk = 0.0025773 k( 233) = ( -0.4095493 0.5904507 -0.0000000), wk = 0.0025773 k( 234) = ( -0.4030885 0.5969115 0.0000000), wk = 0.0025773 k( 235) = ( -0.3966278 0.6033722 -0.0000000), wk = 0.0025773 k( 236) = ( -0.3901670 0.6098330 -0.0000000), wk = 0.0025773 k( 237) = ( -0.3837063 0.6162937 -0.0000000), wk = 0.0025773 k( 238) = ( -0.3772455 0.6227545 0.0000000), wk = 0.0025773 k( 239) = ( -0.3707847 0.6292153 -0.0000000), wk = 0.0025773 k( 240) = ( -0.3643240 0.6356760 0.0000000), wk = 0.0025773 k( 241) = ( -0.3578632 0.6421368 -0.0000000), wk = 0.0025773 k( 242) = ( -0.3514024 0.6485976 0.0000000), wk = 0.0025773 k( 243) = ( -0.3449417 0.6550583 -0.0000000), wk = 0.0025773 k( 244) = ( -0.3384809 0.6615191 0.0000000), wk = 0.0025773 k( 245) = ( -0.3320201 0.6679799 -0.0000000), wk = 0.0025773 k( 246) = ( -0.3255594 0.6744406 -0.0000000), wk = 0.0025773 k( 247) = ( -0.3190986 0.6809014 -0.0000000), wk = 0.0025773 k( 248) = ( -0.3126378 0.6873622 0.0000000), wk = 0.0025773 k( 249) = ( -0.3061771 0.6938229 -0.0000000), wk = 0.0025773 k( 250) = ( -0.2997163 0.7002837 0.0000000), wk = 0.0025773 k( 251) = ( -0.2932556 0.7067444 -0.0000000), wk = 0.0025773 k( 252) = ( -0.2867948 0.7132052 0.0000000), wk = 0.0025773 k( 253) = ( -0.2803340 0.7196660 0.0000000), wk = 0.0025773 k( 254) = ( -0.2803340 0.7196660 0.0000000), wk = 0.0025773 k( 255) = ( -0.2803340 0.7196660 0.0142857), wk = 0.0025773 k( 256) = ( -0.2803340 0.7196660 0.0285714), wk = 0.0025773 k( 257) = ( -0.2803340 0.7196660 0.0428571), wk = 0.0025773 k( 258) = ( -0.2803340 0.7196660 0.0571429), wk = 0.0025773 k( 259) = ( -0.2803340 0.7196660 0.0714286), wk = 0.0025773 k( 260) = ( -0.2803340 0.7196660 0.0857143), wk = 0.0025773 k( 261) = ( -0.2803340 0.7196660 0.1000000), wk = 0.0025773 k( 262) = ( -0.2803340 0.7196660 0.1142857), wk = 0.0025773 k( 263) = ( -0.2803340 0.7196660 0.1285714), wk = 0.0025773 k( 264) = ( -0.2803340 0.7196660 0.1428571), wk = 0.0025773 k( 265) = ( -0.2803340 0.7196660 0.1571429), wk = 0.0025773 k( 266) = ( -0.2803340 0.7196660 0.1714286), wk = 0.0025773 k( 267) = ( -0.2803340 0.7196660 0.1857143), wk = 0.0025773 k( 268) = ( -0.2803340 0.7196660 0.2000000), wk = 0.0025773 k( 269) = ( -0.2803340 0.7196660 0.2142857), wk = 0.0025773 k( 270) = ( -0.2803340 0.7196660 0.2285714), wk = 0.0025773 k( 271) = ( -0.2803340 0.7196660 0.2428571), wk = 0.0025773 k( 272) = ( -0.2803340 0.7196660 0.2571429), wk = 0.0025773 k( 273) = ( -0.2803340 0.7196660 0.2714286), wk = 0.0025773 k( 274) = ( -0.2803340 0.7196660 0.2857143), wk = 0.0025773 k( 275) = ( -0.2803340 0.7196660 0.3000000), wk = 0.0025773 k( 276) = ( -0.2803340 0.7196660 0.3142857), wk = 0.0025773 k( 277) = ( -0.2803340 0.7196660 0.3285714), wk = 0.0025773 k( 278) = ( -0.2803340 0.7196660 0.3428571), wk = 0.0025773 k( 279) = ( -0.2803340 0.7196660 0.3571429), wk = 0.0025773 k( 280) = ( -0.2803340 0.7196660 0.3714286), wk = 0.0025773 k( 281) = ( -0.2803340 0.7196660 0.3857143), wk = 0.0025773 k( 282) = ( -0.2803340 0.7196660 0.4000000), wk = 0.0025773 k( 283) = ( -0.2803340 0.7196660 0.4142857), wk = 0.0025773 k( 284) = ( -0.2803340 0.7196660 0.4285714), wk = 0.0025773 k( 285) = ( -0.2803340 0.7196660 0.4428571), wk = 0.0025773 k( 286) = ( -0.2803340 0.7196660 0.4571429), wk = 0.0025773 k( 287) = ( -0.2803340 0.7196660 0.4714286), wk = 0.0025773 k( 288) = ( -0.2803340 0.7196660 0.4857143), wk = 0.0025773 k( 289) = ( -0.2803340 0.7196660 0.5000000), wk = 0.0025773 k( 290) = ( -0.2803340 0.7196660 0.5000000), wk = 0.0025773 k( 291) = ( -0.2867948 0.7132052 0.5000000), wk = 0.0025773 k( 292) = ( -0.2932556 0.7067444 0.5000000), wk = 0.0025773 k( 293) = ( -0.2997163 0.7002837 0.5000000), wk = 0.0025773 k( 294) = ( -0.3061771 0.6938229 0.5000000), wk = 0.0025773 k( 295) = ( -0.3126378 0.6873622 0.5000000), wk = 0.0025773 k( 296) = ( -0.3190986 0.6809014 0.5000000), wk = 0.0025773 k( 297) = ( -0.3255594 0.6744406 0.5000000), wk = 0.0025773 k( 298) = ( -0.3320201 0.6679799 0.5000000), wk = 0.0025773 k( 299) = ( -0.3384809 0.6615191 0.5000000), wk = 0.0025773 k( 300) = ( -0.3449417 0.6550583 0.5000000), wk = 0.0025773 k( 301) = ( -0.3514024 0.6485976 0.5000000), wk = 0.0025773 k( 302) = ( -0.3578632 0.6421368 0.5000000), wk = 0.0025773 k( 303) = ( -0.3643240 0.6356760 0.5000000), wk = 0.0025773 k( 304) = ( -0.3707847 0.6292153 0.5000000), wk = 0.0025773 k( 305) = ( -0.3772455 0.6227545 0.5000000), wk = 0.0025773 k( 306) = ( -0.3837063 0.6162937 0.5000000), wk = 0.0025773 k( 307) = ( -0.3901670 0.6098330 0.5000000), wk = 0.0025773 k( 308) = ( -0.3966278 0.6033722 0.5000000), wk = 0.0025773 k( 309) = ( -0.4030885 0.5969115 0.5000000), wk = 0.0025773 k( 310) = ( -0.4095493 0.5904507 0.5000000), wk = 0.0025773 k( 311) = ( -0.4160101 0.5839899 0.5000000), wk = 0.0025773 k( 312) = ( -0.4224708 0.5775292 0.5000000), wk = 0.0025773 k( 313) = ( -0.4289316 0.5710684 0.5000000), wk = 0.0025773 k( 314) = ( -0.4353924 0.5646076 0.5000000), wk = 0.0025773 k( 315) = ( -0.4418531 0.5581469 0.5000000), wk = 0.0025773 k( 316) = ( -0.4483139 0.5516861 0.5000000), wk = 0.0025773 k( 317) = ( -0.4547747 0.5452254 0.5000000), wk = 0.0025773 k( 318) = ( -0.4612354 0.5387646 0.5000000), wk = 0.0025773 k( 319) = ( -0.4676962 0.5323038 0.5000000), wk = 0.0025773 k( 320) = ( -0.4741569 0.5258431 0.5000000), wk = 0.0025773 k( 321) = ( -0.4806177 0.5193823 0.5000000), wk = 0.0025773 k( 322) = ( -0.4870785 0.5129215 0.5000000), wk = 0.0025773 k( 323) = ( -0.4935392 0.5064608 0.5000000), wk = 0.0025773 k( 324) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025773 k( 325) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025773 k( 326) = ( -0.5000000 0.5000000 0.4857143), wk = 0.0025773 k( 327) = ( -0.5000000 0.5000000 0.4714286), wk = 0.0025773 k( 328) = ( -0.5000000 0.5000000 0.4571429), wk = 0.0025773 k( 329) = ( -0.5000000 0.5000000 0.4428571), wk = 0.0025773 k( 330) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0025773 k( 331) = ( -0.5000000 0.5000000 0.4142857), wk = 0.0025773 k( 332) = ( -0.5000000 0.5000000 0.4000000), wk = 0.0025773 k( 333) = ( -0.5000000 0.5000000 0.3857143), wk = 0.0025773 k( 334) = ( -0.5000000 0.5000000 0.3714286), wk = 0.0025773 k( 335) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0025773 k( 336) = ( -0.5000000 0.5000000 0.3428571), wk = 0.0025773 k( 337) = ( -0.5000000 0.5000000 0.3285714), wk = 0.0025773 k( 338) = ( -0.5000000 0.5000000 0.3142857), wk = 0.0025773 k( 339) = ( -0.5000000 0.5000000 0.3000000), wk = 0.0025773 k( 340) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0025773 k( 341) = ( -0.5000000 0.5000000 0.2714286), wk = 0.0025773 k( 342) = ( -0.5000000 0.5000000 0.2571429), wk = 0.0025773 k( 343) = ( -0.5000000 0.5000000 0.2428571), wk = 0.0025773 k( 344) = ( -0.5000000 0.5000000 0.2285714), wk = 0.0025773 k( 345) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0025773 k( 346) = ( -0.5000000 0.5000000 0.2000000), wk = 0.0025773 k( 347) = ( -0.5000000 0.5000000 0.1857143), wk = 0.0025773 k( 348) = ( -0.5000000 0.5000000 0.1714286), wk = 0.0025773 k( 349) = ( -0.5000000 0.5000000 0.1571429), wk = 0.0025773 k( 350) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0025773 k( 351) = ( -0.5000000 0.5000000 0.1285714), wk = 0.0025773 k( 352) = ( -0.5000000 0.5000000 0.1142857), wk = 0.0025773 k( 353) = ( -0.5000000 0.5000000 0.1000000), wk = 0.0025773 k( 354) = ( -0.5000000 0.5000000 0.0857143), wk = 0.0025773 k( 355) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0025773 k( 356) = ( -0.5000000 0.5000000 0.0571429), wk = 0.0025773 k( 357) = ( -0.5000000 0.5000000 0.0428571), wk = 0.0025773 k( 358) = ( -0.5000000 0.5000000 0.0285714), wk = 0.0025773 k( 359) = ( -0.5000000 0.5000000 0.0142857), wk = 0.0025773 k( 360) = ( -0.5000000 0.5000000 -0.0000000), wk = 0.0025773 k( 361) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025773 k( 362) = ( -0.0185185 0.0185185 0.5000000), wk = 0.0025773 k( 363) = ( -0.0370370 0.0370370 0.5000000), wk = 0.0025773 k( 364) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0025773 k( 365) = ( -0.0740741 0.0740741 0.5000000), wk = 0.0025773 k( 366) = ( -0.0925926 0.0925926 0.5000000), wk = 0.0025773 k( 367) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0025773 k( 368) = ( -0.1296296 0.1296296 0.5000000), wk = 0.0025773 k( 369) = ( -0.1481482 0.1481482 0.5000000), wk = 0.0025773 k( 370) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0025773 k( 371) = ( -0.1851852 0.1851852 0.5000000), wk = 0.0025773 k( 372) = ( -0.2037037 0.2037037 0.5000000), wk = 0.0025773 k( 373) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0025773 k( 374) = ( -0.2407407 0.2407407 0.5000000), wk = 0.0025773 k( 375) = ( -0.2592593 0.2592593 0.5000000), wk = 0.0025773 k( 376) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0025773 k( 377) = ( -0.2962963 0.2962963 0.5000000), wk = 0.0025773 k( 378) = ( -0.3148148 0.3148148 0.5000000), wk = 0.0025773 k( 379) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0025773 k( 380) = ( -0.3518519 0.3518519 0.5000000), wk = 0.0025773 k( 381) = ( -0.3703704 0.3703704 0.5000000), wk = 0.0025773 k( 382) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0025773 k( 383) = ( -0.4074074 0.4074074 0.5000000), wk = 0.0025773 k( 384) = ( -0.4259259 0.4259259 0.5000000), wk = 0.0025773 k( 385) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0025773 k( 386) = ( -0.4629630 0.4629630 0.5000000), wk = 0.0025773 k( 387) = ( -0.4814815 0.4814815 0.5000000), wk = 0.0025773 k( 388) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025773 Dense grid: 48505 G-vectors FFT dimensions: ( 60, 60, 45) Smooth grid: 31085 G-vectors FFT dimensions: ( 54, 54, 40) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.13 Mb ( 224, 38) NL pseudopotentials 0.16 Mb ( 112, 96) Each V/rho on FFT grid 0.11 Mb ( 7200) Each G-vector array 0.01 Mb ( 1350) G-vector shells 0.01 Mb ( 687) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.52 Mb ( 224, 152) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.11 Mb ( 96, 2, 38) The potential is recalculated from file : ./TlSbSe2.save/charge-density.dat Starting wfc are 42 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 2.9 secs Computing kpt #: 2 total cpu time spent up to now is 3.3 secs Computing kpt #: 3 total cpu time spent up to now is 3.6 secs Computing kpt #: 4 total cpu time spent up to now is 4.0 secs Computing kpt #: 5 total cpu time spent up to now is 4.3 secs Computing kpt #: 6 total cpu time spent up to now is 4.7 secs Computing kpt #: 7 total cpu time spent up to now is 5.0 secs Computing kpt #: 8 total cpu time spent up to now is 5.4 secs Computing kpt #: 9 total cpu time spent up to now is 5.8 secs Computing kpt #: 10 total cpu time spent up to now is 6.2 secs Computing kpt #: 11 total cpu time spent up to now is 6.5 secs Computing kpt #: 12 total cpu time spent up to now is 6.9 secs Computing kpt #: 13 total cpu time spent up to now is 7.3 secs Computing kpt #: 14 total cpu time spent up to now is 7.6 secs Computing kpt #: 15 total cpu time spent up to now is 8.0 secs Computing kpt #: 16 total cpu time spent up to now is 8.3 secs Computing kpt #: 17 total cpu time spent up to now is 8.7 secs Computing kpt #: 18 total cpu time spent up to now is 9.0 secs Computing kpt #: 19 total cpu time spent up to now is 9.4 secs Computing kpt #: 20 total cpu time spent up to now is 9.7 secs Computing kpt #: 21 total cpu time spent up to now is 10.1 secs Computing kpt #: 22 total cpu time spent up to now is 10.4 secs Computing kpt #: 23 total cpu time spent up to now is 10.8 secs Computing kpt #: 24 total cpu time spent up to now is 11.2 secs Computing kpt #: 25 total cpu time spent up to now is 11.5 secs Computing kpt #: 26 total cpu time spent up to now is 11.9 secs Computing kpt #: 27 total cpu time spent up to now is 12.3 secs Computing kpt #: 28 total cpu time spent up to now is 12.6 secs Computing kpt #: 29 total cpu time spent up to now is 13.0 secs Computing kpt #: 30 total cpu time spent up to now is 13.4 secs Computing kpt #: 31 total cpu time spent up to now is 13.7 secs Computing kpt #: 32 total cpu time spent up to now is 14.1 secs Computing kpt #: 33 total cpu time spent up to now is 14.5 secs Computing kpt #: 34 total cpu time spent up to now is 14.9 secs Computing kpt #: 35 total cpu time spent up to now is 15.2 secs Computing kpt #: 36 total cpu time spent up to now is 15.6 secs Computing kpt #: 37 total cpu time spent up to now is 16.0 secs Computing kpt #: 38 total cpu time spent up to now is 16.4 secs Computing kpt #: 39 total cpu time spent up to now is 16.8 secs Computing kpt #: 40 total cpu time spent up to now is 17.2 secs Computing kpt #: 41 total cpu time spent up to now is 17.5 secs Computing kpt #: 42 total cpu time spent up to now is 17.9 secs Computing kpt #: 43 total cpu time spent up to now is 18.3 secs Computing kpt #: 44 total cpu time spent up to now is 18.7 secs Computing kpt #: 45 total cpu time spent up to now is 19.1 secs Computing kpt #: 46 total cpu time spent up to now is 19.5 secs Computing kpt #: 47 total cpu time spent up to now is 19.9 secs Computing kpt #: 48 total cpu time spent up to now is 20.3 secs Computing kpt #: 49 total cpu time spent up to now is 20.7 secs Computing kpt #: 50 total cpu time spent up to now is 21.1 secs Computing kpt #: 51 total cpu time spent up to now is 21.5 secs Computing kpt #: 52 total cpu time spent up to now is 21.9 secs Computing kpt #: 53 total cpu time spent up to now is 22.3 secs Computing kpt #: 54 total cpu time spent up to now is 22.6 secs Computing kpt #: 55 total cpu time spent up to now is 23.0 secs Computing kpt #: 56 total cpu time spent up to now is 23.4 secs Computing kpt #: 57 total cpu time spent up to now is 23.8 secs Computing kpt #: 58 total cpu time spent up to now is 24.1 secs Computing kpt #: 59 total cpu time spent up to now is 24.5 secs Computing kpt #: 60 total cpu time spent up to now is 24.8 secs Computing kpt #: 61 total cpu time spent up to now is 25.2 secs Computing kpt #: 62 total cpu time spent up to now is 25.6 secs Computing kpt #: 63 total cpu time spent up to now is 26.0 secs Computing kpt #: 64 total cpu time spent up to now is 26.3 secs Computing kpt #: 65 total cpu time spent up to now is 26.7 secs Computing kpt #: 66 total cpu time spent up to now is 27.1 secs Computing kpt #: 67 total cpu time spent up to now is 27.5 secs Computing kpt #: 68 total cpu time spent up to now is 27.8 secs Computing kpt #: 69 total cpu time spent up to now is 28.2 secs Computing kpt #: 70 total cpu time spent up to now is 28.5 secs Computing kpt #: 71 total cpu time spent up to now is 28.9 secs Computing kpt #: 72 total cpu time spent up to now is 29.2 secs Computing kpt #: 73 total cpu time spent up to now is 29.6 secs Computing kpt #: 74 total cpu time spent up to now is 30.0 secs Computing kpt #: 75 total cpu time spent up to now is 30.3 secs Computing kpt #: 76 total cpu time spent up to now is 30.7 secs Computing kpt #: 77 total cpu time spent up to now is 31.0 secs Computing kpt #: 78 total cpu time spent up to now is 31.3 secs Computing kpt #: 79 total cpu time spent up to now is 31.7 secs Computing kpt #: 80 total cpu time spent up to now is 32.0 secs Computing kpt #: 81 total cpu time spent up to now is 32.3 secs Computing kpt #: 82 total cpu time spent up to now is 32.7 secs Computing kpt #: 83 total cpu time spent up to now is 33.0 secs Computing kpt #: 84 total cpu time spent up to now is 33.3 secs Computing kpt #: 85 total cpu time spent up to now is 33.7 secs Computing kpt #: 86 total cpu time spent up to now is 34.0 secs Computing kpt #: 87 total cpu time spent up to now is 34.3 secs Computing kpt #: 88 total cpu time spent up to now is 35.3 secs Computing kpt #: 89 total cpu time spent up to now is 35.6 secs Computing kpt #: 90 total cpu time spent up to now is 36.0 secs Computing kpt #: 91 total cpu time spent up to now is 36.3 secs Computing kpt #: 92 total cpu time spent up to now is 36.6 secs Computing kpt #: 93 total cpu time spent up to now is 37.0 secs Computing kpt #: 94 total cpu time spent up to now is 37.3 secs Computing kpt #: 95 total cpu time spent up to now is 37.6 secs Computing kpt #: 96 total cpu time spent up to now is 37.9 secs Computing kpt #: 97 total cpu time spent up to now is 38.3 secs Computing kpt #: 98 total cpu time spent up to now is 38.6 secs Computing kpt #: 99 total cpu time spent up to now is 38.9 secs Computing kpt #: 100 total cpu time spent up to now is 39.3 secs Computing kpt #: 101 total cpu time spent up to now is 39.6 secs Computing kpt #: 102 total cpu time spent up to now is 39.9 secs Computing kpt #: 103 total cpu time spent up to now is 40.2 secs Computing kpt #: 104 total cpu time spent up to now is 40.5 secs Computing kpt #: 105 total cpu time spent up to now is 40.8 secs Computing kpt #: 106 total cpu time spent up to now is 41.1 secs Computing kpt #: 107 total cpu time spent up to now is 41.4 secs Computing kpt #: 108 total cpu time spent up to now is 41.7 secs Computing kpt #: 109 total cpu time spent up to now is 42.0 secs Computing kpt #: 110 total cpu time spent up to now is 42.3 secs Computing kpt #: 111 total cpu time spent up to now is 42.6 secs Computing kpt #: 112 total cpu time spent up to now is 42.9 secs Computing kpt #: 113 total cpu time spent up to now is 43.2 secs Computing kpt #: 114 total cpu time spent up to now is 43.6 secs Computing kpt #: 115 total cpu time spent up to now is 43.9 secs Computing kpt #: 116 total cpu time spent up to now is 44.2 secs Computing kpt #: 117 total cpu time spent up to now is 44.5 secs Computing kpt #: 118 total cpu time spent up to now is 44.8 secs Computing kpt #: 119 total cpu time spent up to now is 45.1 secs Computing kpt #: 120 total cpu time spent up to now is 45.4 secs Computing kpt #: 121 total cpu time spent up to now is 45.7 secs Computing kpt #: 122 total cpu time spent up to now is 46.0 secs Computing kpt #: 123 total cpu time spent up to now is 46.3 secs Computing kpt #: 124 total cpu time spent up to now is 46.7 secs Computing kpt #: 125 total cpu time spent up to now is 47.0 secs Computing kpt #: 126 total cpu time spent up to now is 47.3 secs Computing kpt #: 127 total cpu time spent up to now is 47.6 secs Computing kpt #: 128 total cpu time spent up to now is 48.0 secs Computing kpt #: 129 total cpu time spent up to now is 48.3 secs Computing kpt #: 130 total cpu time spent up to now is 48.6 secs Computing kpt #: 131 total cpu time spent up to now is 49.0 secs Computing kpt #: 132 total cpu time spent up to now is 49.3 secs Computing kpt #: 133 total cpu time spent up to now is 49.6 secs Computing kpt #: 134 total cpu time spent up to now is 50.0 secs Computing kpt #: 135 total cpu time spent up to now is 50.3 secs Computing kpt #: 136 total cpu time spent up to now is 50.6 secs Computing kpt #: 137 total cpu time spent up to now is 51.0 secs Computing kpt #: 138 total cpu time spent up to now is 51.3 secs Computing kpt #: 139 total cpu time spent up to now is 51.6 secs Computing kpt #: 140 total cpu time spent up to now is 52.0 secs Computing kpt #: 141 total cpu time spent up to now is 52.3 secs Computing kpt #: 142 total cpu time spent up to now is 52.7 secs Computing kpt #: 143 total cpu time spent up to now is 53.0 secs Computing kpt #: 144 total cpu time spent up to now is 53.4 secs Computing kpt #: 145 total cpu time spent up to now is 53.7 secs Computing kpt #: 146 total cpu time spent up to now is 54.1 secs Computing kpt #: 147 total cpu time spent up to now is 54.4 secs Computing kpt #: 148 total cpu time spent up to now is 54.7 secs Computing kpt #: 149 total cpu time spent up to now is 55.1 secs Computing kpt #: 150 total cpu time spent up to now is 55.4 secs Computing kpt #: 151 total cpu time spent up to now is 55.7 secs Computing kpt #: 152 total cpu time spent up to now is 56.1 secs Computing kpt #: 153 total cpu time spent up to now is 56.4 secs Computing kpt #: 154 total cpu time spent up to now is 56.7 secs Computing kpt #: 155 total cpu time spent up to now is 57.0 secs Computing kpt #: 156 total cpu time spent up to now is 57.3 secs Computing kpt #: 157 total cpu time spent up to now is 57.7 secs Computing kpt #: 158 total cpu time spent up to now is 58.0 secs Computing kpt #: 159 total cpu time spent up to now is 58.3 secs Computing kpt #: 160 total cpu time spent up to now is 58.7 secs Computing kpt #: 161 total cpu time spent up to now is 59.0 secs Computing kpt #: 162 total cpu time spent up to now is 59.3 secs Computing kpt #: 163 total cpu time spent up to now is 59.7 secs Computing kpt #: 164 total cpu time spent up to now is 60.0 secs Computing kpt #: 165 total cpu time spent up to now is 60.3 secs Computing kpt #: 166 total cpu time spent up to now is 60.7 secs Computing kpt #: 167 total cpu time spent up to now is 61.0 secs Computing kpt #: 168 total cpu time spent up to now is 61.4 secs Computing kpt #: 169 total cpu time spent up to now is 61.7 secs Computing kpt #: 170 total cpu time spent up to now is 62.1 secs Computing kpt #: 171 total cpu time spent up to now is 62.4 secs Computing kpt #: 172 total cpu time spent up to now is 62.8 secs Computing kpt #: 173 total cpu time spent up to now is 63.1 secs Computing kpt #: 174 total cpu time spent up to now is 63.5 secs Computing kpt #: 175 total cpu time spent up to now is 63.8 secs Computing kpt #: 176 total cpu time spent up to now is 64.2 secs Computing kpt #: 177 total cpu time spent up to now is 64.5 secs Computing kpt #: 178 total cpu time spent up to now is 65.2 secs Computing kpt #: 179 total cpu time spent up to now is 65.5 secs Computing kpt #: 180 total cpu time spent up to now is 65.9 secs Computing kpt #: 181 total cpu time spent up to now is 66.2 secs Computing kpt #: 182 total cpu time spent up to now is 66.5 secs Computing kpt #: 183 total cpu time spent up to now is 66.9 secs Computing kpt #: 184 total cpu time spent up to now is 67.2 secs Computing kpt #: 185 total cpu time spent up to now is 67.5 secs Computing kpt #: 186 total cpu time spent up to now is 67.8 secs Computing kpt #: 187 total cpu time spent up to now is 68.2 secs Computing kpt #: 188 total cpu time spent up to now is 68.5 secs Computing kpt #: 189 total cpu time spent up to now is 68.8 secs Computing kpt #: 190 total cpu time spent up to now is 69.1 secs Computing kpt #: 191 total cpu time spent up to now is 69.5 secs Computing kpt #: 192 total cpu time spent up to now is 70.3 secs Computing kpt #: 193 total cpu time spent up to now is 70.6 secs Computing kpt #: 194 total cpu time spent up to now is 70.9 secs Computing kpt #: 195 total cpu time spent up to now is 71.3 secs Computing kpt #: 196 total cpu time spent up to now is 71.6 secs Computing kpt #: 197 total cpu time spent up to now is 72.0 secs Computing kpt #: 198 total cpu time spent up to now is 72.3 secs Computing kpt #: 199 total cpu time spent up to now is 72.6 secs Computing kpt #: 200 total cpu time spent up to now is 73.0 secs Computing kpt #: 201 total cpu time spent up to now is 73.3 secs Computing kpt #: 202 total cpu time spent up to now is 73.6 secs Computing kpt #: 203 total cpu time spent up to now is 74.0 secs Computing kpt #: 204 total cpu time spent up to now is 74.3 secs Computing kpt #: 205 total cpu time spent up to now is 74.7 secs Computing kpt #: 206 total cpu time spent up to now is 75.0 secs Computing kpt #: 207 total cpu time spent up to now is 75.4 secs Computing kpt #: 208 total cpu time spent up to now is 75.7 secs Computing kpt #: 209 total cpu time spent up to now is 76.0 secs Computing kpt #: 210 total cpu time spent up to now is 76.4 secs Computing kpt #: 211 total cpu time spent up to now is 76.7 secs Computing kpt #: 212 total cpu time spent up to now is 77.1 secs Computing kpt #: 213 total cpu time spent up to now is 77.4 secs Computing kpt #: 214 total cpu time spent up to now is 77.8 secs Computing kpt #: 215 total cpu time spent up to now is 78.2 secs Computing kpt #: 216 total cpu time spent up to now is 78.6 secs Computing kpt #: 217 total cpu time spent up to now is 79.0 secs Computing kpt #: 218 total cpu time spent up to now is 79.5 secs Computing kpt #: 219 total cpu time spent up to now is 79.9 secs Computing kpt #: 220 total cpu time spent up to now is 80.3 secs Computing kpt #: 221 total cpu time spent up to now is 80.7 secs Computing kpt #: 222 total cpu time spent up to now is 81.1 secs Computing kpt #: 223 total cpu time spent up to now is 81.5 secs Computing kpt #: 224 total cpu time spent up to now is 81.9 secs Computing kpt #: 225 total cpu time spent up to now is 82.3 secs Computing kpt #: 226 total cpu time spent up to now is 82.8 secs Computing kpt #: 227 total cpu time spent up to now is 83.2 secs Computing kpt #: 228 total cpu time spent up to now is 83.6 secs Computing kpt #: 229 total cpu time spent up to now is 84.0 secs Computing kpt #: 230 total cpu time spent up to now is 84.4 secs Computing kpt #: 231 total cpu time spent up to now is 84.8 secs Computing kpt #: 232 total cpu time spent up to now is 85.1 secs Computing kpt #: 233 total cpu time spent up to now is 85.5 secs Computing kpt #: 234 total cpu time spent up to now is 85.8 secs Computing kpt #: 235 total cpu time spent up to now is 86.2 secs Computing kpt #: 236 total cpu time spent up to now is 86.6 secs Computing kpt #: 237 total cpu time spent up to now is 86.9 secs Computing kpt #: 238 total cpu time spent up to now is 87.3 secs Computing kpt #: 239 total cpu time spent up to now is 87.7 secs Computing kpt #: 240 total cpu time spent up to now is 88.1 secs Computing kpt #: 241 total cpu time spent up to now is 88.6 secs Computing kpt #: 242 total cpu time spent up to now is 89.0 secs Computing kpt #: 243 total cpu time spent up to now is 89.4 secs Computing kpt #: 244 total cpu time spent up to now is 89.8 secs Computing kpt #: 245 total cpu time spent up to now is 90.2 secs Computing kpt #: 246 total cpu time spent up to now is 90.7 secs Computing kpt #: 247 total cpu time spent up to now is 91.0 secs Computing kpt #: 248 total cpu time spent up to now is 91.4 secs Computing kpt #: 249 total cpu time spent up to now is 91.7 secs Computing kpt #: 250 total cpu time spent up to now is 92.1 secs Computing kpt #: 251 total cpu time spent up to now is 92.4 secs Computing kpt #: 252 total cpu time spent up to now is 92.8 secs Computing kpt #: 253 total cpu time spent up to now is 93.2 secs Computing kpt #: 254 total cpu time spent up to now is 93.6 secs Computing kpt #: 255 total cpu time spent up to now is 94.0 secs Computing kpt #: 256 total cpu time spent up to now is 94.4 secs Computing kpt #: 257 total cpu time spent up to now is 94.8 secs Computing kpt #: 258 total cpu time spent up to now is 95.2 secs Computing kpt #: 259 total cpu time spent up to now is 95.5 secs Computing kpt #: 260 total cpu time spent up to now is 95.9 secs Computing kpt #: 261 total cpu time spent up to now is 96.3 secs Computing kpt #: 262 total cpu time spent up to now is 96.6 secs Computing kpt #: 263 total cpu time spent up to now is 97.0 secs Computing kpt #: 264 total cpu time spent up to now is 97.4 secs Computing kpt #: 265 total cpu time spent up to now is 97.7 secs Computing kpt #: 266 total cpu time spent up to now is 98.1 secs Computing kpt #: 267 total cpu time spent up to now is 98.5 secs Computing kpt #: 268 total cpu time spent up to now is 98.8 secs Computing kpt #: 269 total cpu time spent up to now is 99.2 secs Computing kpt #: 270 total cpu time spent up to now is 99.5 secs Computing kpt #: 271 total cpu time spent up to now is 100.6 secs Computing kpt #: 272 total cpu time spent up to now is 100.9 secs Computing kpt #: 273 total cpu time spent up to now is 101.2 secs Computing kpt #: 274 total cpu time spent up to now is 101.6 secs Computing kpt #: 275 total cpu time spent up to now is 101.9 secs Computing kpt #: 276 total cpu time spent up to now is 102.2 secs Computing kpt #: 277 total cpu time spent up to now is 102.5 secs Computing kpt #: 278 total cpu time spent up to now is 102.8 secs Computing kpt #: 279 total cpu time spent up to now is 103.2 secs Computing kpt #: 280 total cpu time spent up to now is 103.5 secs Computing kpt #: 281 total cpu time spent up to now is 103.8 secs Computing kpt #: 282 total cpu time spent up to now is 104.1 secs Computing kpt #: 283 total cpu time spent up to now is 104.4 secs Computing kpt #: 284 total cpu time spent up to now is 104.7 secs Computing kpt #: 285 total cpu time spent up to now is 105.3 secs Computing kpt #: 286 total cpu time spent up to now is 105.7 secs Computing kpt #: 287 total cpu time spent up to now is 106.0 secs Computing kpt #: 288 total cpu time spent up to now is 106.3 secs Computing kpt #: 289 total cpu time spent up to now is 106.6 secs Computing kpt #: 290 total cpu time spent up to now is 106.9 secs Computing kpt #: 291 total cpu time spent up to now is 107.2 secs Computing kpt #: 292 total cpu time spent up to now is 107.5 secs Computing kpt #: 293 total cpu time spent up to now is 107.8 secs Computing kpt #: 294 total cpu time spent up to now is 108.1 secs Computing kpt #: 295 total cpu time spent up to now is 108.5 secs Computing kpt #: 296 total cpu time spent up to now is 108.8 secs Computing kpt #: 297 total cpu time spent up to now is 109.3 secs Computing kpt #: 298 total cpu time spent up to now is 110.0 secs Computing kpt #: 299 total cpu time spent up to now is 110.6 secs Computing kpt #: 300 total cpu time spent up to now is 111.0 secs Computing kpt #: 301 total cpu time spent up to now is 111.5 secs Computing kpt #: 302 total cpu time spent up to now is 111.9 secs Computing kpt #: 303 total cpu time spent up to now is 112.3 secs Computing kpt #: 304 total cpu time spent up to now is 112.7 secs Computing kpt #: 305 total cpu time spent up to now is 113.1 secs Computing kpt #: 306 total cpu time spent up to now is 113.4 secs Computing kpt #: 307 total cpu time spent up to now is 113.8 secs Computing kpt #: 308 total cpu time spent up to now is 114.1 secs Computing kpt #: 309 total cpu time spent up to now is 114.5 secs Computing kpt #: 310 total cpu time spent up to now is 114.8 secs Computing kpt #: 311 total cpu time spent up to now is 115.2 secs Computing kpt #: 312 total cpu time spent up to now is 115.5 secs Computing kpt #: 313 total cpu time spent up to now is 115.9 secs Computing kpt #: 314 total cpu time spent up to now is 116.2 secs Computing kpt #: 315 total cpu time spent up to now is 116.6 secs Computing kpt #: 316 total cpu time spent up to now is 116.9 secs Computing kpt #: 317 total cpu time spent up to now is 117.3 secs Computing kpt #: 318 total cpu time spent up to now is 117.7 secs Computing kpt #: 319 total cpu time spent up to now is 118.0 secs Computing kpt #: 320 total cpu time spent up to now is 118.4 secs Computing kpt #: 321 total cpu time spent up to now is 118.7 secs Computing kpt #: 322 total cpu time spent up to now is 119.1 secs Computing kpt #: 323 total cpu time spent up to now is 119.4 secs Computing kpt #: 324 total cpu time spent up to now is 119.8 secs Computing kpt #: 325 total cpu time spent up to now is 120.1 secs Computing kpt #: 326 total cpu time spent up to now is 120.5 secs Computing kpt #: 327 total cpu time spent up to now is 120.9 secs Computing kpt #: 328 total cpu time spent up to now is 121.2 secs Computing kpt #: 329 total cpu time spent up to now is 121.6 secs Computing kpt #: 330 total cpu time spent up to now is 121.9 secs Computing kpt #: 331 total cpu time spent up to now is 122.3 secs Computing kpt #: 332 total cpu time spent up to now is 122.7 secs Computing kpt #: 333 total cpu time spent up to now is 123.0 secs Computing kpt #: 334 total cpu time spent up to now is 123.4 secs Computing kpt #: 335 total cpu time spent up to now is 123.7 secs Computing kpt #: 336 total cpu time spent up to now is 124.1 secs Computing kpt #: 337 total cpu time spent up to now is 124.5 secs Computing kpt #: 338 total cpu time spent up to now is 124.8 secs Computing kpt #: 339 total cpu time spent up to now is 125.2 secs Computing kpt #: 340 total cpu time spent up to now is 125.6 secs Computing kpt #: 341 total cpu time spent up to now is 126.1 secs Computing kpt #: 342 total cpu time spent up to now is 126.5 secs Computing kpt #: 343 total cpu time spent up to now is 126.9 secs Computing kpt #: 344 total cpu time spent up to now is 127.4 secs Computing kpt #: 345 total cpu time spent up to now is 127.9 secs Computing kpt #: 346 total cpu time spent up to now is 128.3 secs Computing kpt #: 347 total cpu time spent up to now is 128.7 secs Computing kpt #: 348 total cpu time spent up to now is 129.2 secs Computing kpt #: 349 total cpu time spent up to now is 129.6 secs Computing kpt #: 350 total cpu time spent up to now is 130.1 secs Computing kpt #: 351 total cpu time spent up to now is 130.5 secs Computing kpt #: 352 total cpu time spent up to now is 131.0 secs Computing kpt #: 353 total cpu time spent up to now is 131.4 secs Computing kpt #: 354 total cpu time spent up to now is 131.8 secs Computing kpt #: 355 total cpu time spent up to now is 132.3 secs Computing kpt #: 356 total cpu time spent up to now is 132.7 secs Computing kpt #: 357 total cpu time spent up to now is 133.1 secs Computing kpt #: 358 total cpu time spent up to now is 133.5 secs Computing kpt #: 359 total cpu time spent up to now is 133.9 secs Computing kpt #: 360 total cpu time spent up to now is 134.3 secs Computing kpt #: 361 total cpu time spent up to now is 134.6 secs Computing kpt #: 362 total cpu time spent up to now is 135.2 secs Computing kpt #: 363 total cpu time spent up to now is 135.6 secs Computing kpt #: 364 total cpu time spent up to now is 135.9 secs Computing kpt #: 365 total cpu time spent up to now is 136.2 secs Computing kpt #: 366 total cpu time spent up to now is 136.5 secs Computing kpt #: 367 total cpu time spent up to now is 136.9 secs Computing kpt #: 368 total cpu time spent up to now is 137.2 secs Computing kpt #: 369 total cpu time spent up to now is 137.5 secs Computing kpt #: 370 total cpu time spent up to now is 137.9 secs Computing kpt #: 371 total cpu time spent up to now is 138.2 secs Computing kpt #: 372 total cpu time spent up to now is 138.5 secs Computing kpt #: 373 total cpu time spent up to now is 138.9 secs Computing kpt #: 374 total cpu time spent up to now is 139.2 secs Computing kpt #: 375 total cpu time spent up to now is 139.5 secs Computing kpt #: 376 total cpu time spent up to now is 140.4 secs Computing kpt #: 377 total cpu time spent up to now is 140.7 secs Computing kpt #: 378 total cpu time spent up to now is 141.1 secs Computing kpt #: 379 total cpu time spent up to now is 141.5 secs Computing kpt #: 380 total cpu time spent up to now is 141.8 secs Computing kpt #: 381 total cpu time spent up to now is 142.2 secs Computing kpt #: 382 total cpu time spent up to now is 142.5 secs Computing kpt #: 383 total cpu time spent up to now is 142.9 secs Computing kpt #: 384 total cpu time spent up to now is 143.2 secs Computing kpt #: 385 total cpu time spent up to now is 143.6 secs Computing kpt #: 386 total cpu time spent up to now is 144.0 secs Computing kpt #: 387 total cpu time spent up to now is 144.3 secs Computing kpt #: 388 total cpu time spent up to now is 144.7 secs ethr = 3.33E-08, avg # of iterations = 18.3 total cpu time spent up to now is 144.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3895 PWs) bands (ev): -10.4987 -10.4987 -5.8520 -5.8520 -5.7872 -5.7872 -3.9455 -3.9455 -3.6466 -3.6466 -3.6183 -3.6183 -3.0701 -3.0701 -2.8525 -2.8525 -1.6323 -1.6323 1.4508 1.4508 2.0863 2.0863 2.8813 2.8813 5.3998 5.3998 6.2215 6.2215 6.9627 6.9627 7.8075 7.8075 8.2143 8.2143 10.2239 10.2239 11.3086 11.3086 k = 0.0065 0.0187-0.0000 ( 3897 PWs) bands (ev): -10.4973 -10.4973 -5.8520 -5.8520 -5.7872 -5.7872 -3.9453 -3.9453 -3.6467 -3.6467 -3.6191 -3.6191 -3.0915 -3.0915 -2.8511 -2.8511 -1.6124 -1.6124 1.4568 1.4568 2.0878 2.0878 2.8742 2.8742 5.4027 5.4027 6.2245 6.2245 6.9635 6.9635 7.8022 7.8022 8.2078 8.2078 10.2228 10.2228 11.3164 11.3164 k = 0.0130 0.0374-0.0000 ( 3905 PWs) bands (ev): -10.4931 -10.4931 -5.8518 -5.8518 -5.7873 -5.7873 -3.9448 -3.9448 -3.6470 -3.6470 -3.6219 -3.6219 -3.1514 -3.1514 -2.8475 -2.8475 -1.5560 -1.5560 1.4750 1.4750 2.0922 2.0922 2.8529 2.8529 5.4115 5.4115 6.2336 6.2336 6.9660 6.9660 7.7864 7.7864 8.1883 8.1883 10.2197 10.2197 11.3392 11.3392 k = 0.0196 0.0561-0.0000 ( 3897 PWs) bands (ev): -10.4861 -10.4861 -5.8515 -5.8515 -5.7874 -5.7874 -3.9442 -3.9442 -3.6477 -3.6477 -3.6274 -3.6274 -3.2397 -3.2397 -2.8424 -2.8424 -1.4716 -1.4716 1.5054 1.5054 2.0995 2.0995 2.8180 2.8180 5.4258 5.4258 6.2485 6.2485 6.9700 6.9700 7.7602 7.7602 8.1561 8.1561 10.2161 10.2161 11.3753 11.3753 k = 0.0261 0.0749-0.0000 ( 3901 PWs) bands (ev): -10.4762 -10.4762 -5.8511 -5.8511 -5.7877 -5.7877 -3.9439 -3.9439 -3.6504 -3.6504 -3.6371 -3.6371 -3.3438 -3.3438 -2.8361 -2.8361 -1.3680 -1.3680 1.5482 1.5482 2.1098 2.1098 2.7703 2.7703 5.4454 5.4454 6.2690 6.2690 6.9756 6.9756 7.7239 7.7239 8.1116 8.1116 10.2135 10.2135 11.4223 11.4223 k = 0.0326 0.0936-0.0000 ( 3897 PWs) bands (ev): -10.4636 -10.4636 -5.8506 -5.8506 -5.7879 -5.7879 -3.9453 -3.9453 -3.6708 -3.6708 -3.6445 -3.6445 -3.4461 -3.4461 -2.8284 -2.8284 -1.2528 -1.2528 1.6036 1.6036 2.1232 2.1232 2.7107 2.7107 5.4699 5.4699 6.2947 6.2947 6.9828 6.9828 7.6780 7.6780 8.0555 8.0555 10.2136 10.2136 11.4773 11.4773 k = 0.0391 0.1123-0.0000 ( 3905 PWs) bands (ev): -10.4481 -10.4481 -5.8500 -5.8500 -5.7883 -5.7883 -3.9525 -3.9525 -3.7297 -3.7297 -3.6462 -3.6462 -3.5203 -3.5203 -2.8191 -2.8191 -1.1314 -1.1314 1.6718 1.6718 2.1395 2.1395 2.6403 2.6403 5.4989 5.4989 6.3252 6.3252 6.9914 6.9914 7.6230 7.6230 7.9885 7.9885 10.2177 10.2177 11.5373 11.5373 k = 0.0456 0.1310-0.0000 ( 3897 PWs) bands (ev): -10.4298 -10.4298 -5.8494 -5.8494 -5.7887 -5.7887 -3.9808 -3.9808 -3.8129 -3.8129 -3.6471 -3.6471 -3.5564 -3.5564 -2.8083 -2.8083 -1.0079 -1.0079 1.7529 1.7529 2.1590 2.1590 2.5604 2.5604 5.5320 5.5320 6.3600 6.3600 7.0015 7.0015 7.5594 7.5594 7.9116 7.9116 10.2267 10.2267 11.5986 11.5986 k = 0.0522 0.1497-0.0000 ( 3897 PWs) bands (ev): -10.4088 -10.4088 -5.8487 -5.8487 -5.7892 -5.7892 -4.0653 -4.0653 -3.8641 -3.8641 -3.6479 -3.6479 -3.5726 -3.5726 -2.7957 -2.7957 -0.8848 -0.8848 1.8465 1.8465 2.1820 2.1820 2.4725 2.4725 5.5688 5.5688 6.3987 6.3987 7.0128 7.0128 7.4878 7.4878 7.8260 7.8260 10.2408 10.2408 11.6563 11.6563 k = 0.0587 0.1684-0.0000 ( 3895 PWs) bands (ev): -10.3849 -10.3849 -5.8480 -5.8480 -5.7897 -5.7897 -4.1972 -4.1972 -3.8781 -3.8781 -3.6487 -3.6487 -3.5812 -3.5812 -2.7814 -2.7814 -0.7640 -0.7640 1.9513 1.9513 2.2086 2.2086 2.3784 2.3784 5.6090 5.6090 6.4408 6.4408 7.0252 7.0252 7.4092 7.4092 7.7328 7.7328 10.2602 10.2602 11.7036 11.7036 k = 0.0652 0.1872-0.0000 ( 3895 PWs) bands (ev): -10.3582 -10.3582 -5.8473 -5.8473 -5.7904 -5.7904 -4.3465 -4.3465 -3.8793 -3.8793 -3.6497 -3.6497 -3.5865 -3.5865 -2.7652 -2.7652 -0.6467 -0.6467 2.0624 2.0624 2.2352 2.2352 2.2881 2.2881 5.6525 5.6525 6.4859 6.4859 7.0384 7.0384 7.3242 7.3242 7.6332 7.6332 10.2847 10.2847 11.7309 11.7309 k = 0.0717 0.2059-0.0000 ( 3895 PWs) bands (ev): -10.3287 -10.3287 -5.8468 -5.8468 -5.7911 -5.7911 -4.5021 -4.5021 -3.8760 -3.8760 -3.6508 -3.6508 -3.5902 -3.5902 -2.7471 -2.7471 -0.5336 -0.5336 2.1294 2.1294 2.2073 2.2073 2.3069 2.3069 5.6990 5.6990 6.5335 6.5335 7.0515 7.0515 7.2343 7.2343 7.5285 7.5285 10.3137 10.3137 11.7281 11.7281 k = 0.0782 0.2246-0.0000 ( 3887 PWs) bands (ev): -10.2964 -10.2964 -5.8463 -5.8463 -5.7919 -5.7919 -4.6604 -4.6604 -3.8706 -3.8706 -3.6520 -3.6520 -3.5929 -3.5929 -2.7271 -2.7271 -0.4250 -0.4250 2.0399 2.0399 2.2621 2.2621 2.4104 2.4104 5.7483 5.7483 6.5832 6.5832 7.0604 7.0604 7.1439 7.1439 7.4201 7.4201 10.3469 10.3469 11.6910 11.6910 k = 0.0848 0.2433-0.0000 ( 3887 PWs) bands (ev): -10.2613 -10.2613 -5.8462 -5.8462 -5.7928 -5.7928 -4.8194 -4.8194 -3.8642 -3.8642 -3.6534 -3.6534 -3.5950 -3.5950 -2.7050 -2.7050 -0.3208 -0.3208 1.9265 1.9265 2.3091 2.3091 2.5568 2.5568 5.8003 5.8003 6.6345 6.6345 7.0206 7.0206 7.0970 7.0970 7.3104 7.3104 10.3837 10.3837 11.6245 11.6245 k = 0.0913 0.2620-0.0000 ( 3885 PWs) bands (ev): -10.2235 -10.2235 -5.8465 -5.8465 -5.7938 -5.7938 -4.9780 -4.9780 -3.8570 -3.8570 -3.6549 -3.6549 -3.5967 -3.5967 -2.6808 -2.6808 -0.2209 -0.2209 1.8079 1.8079 2.3519 2.3519 2.7236 2.7236 5.8547 5.8547 6.6862 6.6862 6.9242 6.9242 7.0954 7.0954 7.2076 7.2076 10.4235 10.4235 11.5369 11.5369 k = 0.0978 0.2807-0.0000 ( 3885 PWs) bands (ev): -10.1828 -10.1828 -5.8477 -5.8477 -5.7950 -5.7950 -5.1350 -5.1350 -3.8495 -3.8495 -3.6566 -3.6566 -3.5981 -3.5981 -2.6545 -2.6545 -0.1248 -0.1248 1.6863 1.6863 2.3952 2.3952 2.9039 2.9039 5.9113 5.9113 6.7324 6.7324 6.8245 6.8245 7.0465 7.0465 7.1583 7.1583 10.4657 10.4657 11.4357 11.4357 k = 0.1043 0.2995-0.0000 ( 3881 PWs) bands (ev): -10.1394 -10.1394 -5.8507 -5.8507 -5.7964 -5.7964 -5.2893 -5.2893 -3.8418 -3.8418 -3.6583 -3.6583 -3.5991 -3.5991 -2.6260 -2.6260 -0.0320 -0.0320 1.5627 1.5627 2.4402 2.4402 3.0951 3.0951 5.9695 5.9695 6.6954 6.6954 6.7985 6.7985 6.9501 6.9501 7.1647 7.1647 10.5096 10.5096 11.3260 11.3260 k = 0.1108 0.3182-0.0000 ( 3889 PWs) bands (ev): -10.0931 -10.0931 -5.8573 -5.8573 -5.7982 -5.7982 -5.4383 -5.4383 -3.8340 -3.8340 -3.6602 -3.6602 -3.5999 -3.5999 -2.5954 -2.5954 0.0578 0.0578 1.4377 1.4377 2.4875 2.4875 3.2958 3.2958 6.0285 6.0285 6.5893 6.5893 6.7816 6.7816 6.9036 6.9036 7.1816 7.1816 10.5540 10.5540 11.2116 11.2116 k = 0.1173 0.3369-0.0000 ( 3885 PWs) bands (ev): -10.0441 -10.0441 -5.8734 -5.8734 -5.8004 -5.8004 -5.5761 -5.5761 -3.8262 -3.8262 -3.6621 -3.6621 -3.6005 -3.6005 -2.5626 -2.5626 0.1454 0.1454 1.3119 1.3119 2.5372 2.5372 3.5048 3.5048 6.0864 6.0864 6.4795 6.4795 6.6815 6.6815 6.9439 6.9439 7.2013 7.2013 10.5969 10.5969 11.0960 11.0960 k = 0.1239 0.3556-0.0000 ( 3877 PWs) bands (ev): -9.9924 -9.9924 -5.9153 -5.9153 -5.8031 -5.8031 -5.6858 -5.6858 -3.8186 -3.8186 -3.6641 -3.6641 -3.6010 -3.6010 -2.5276 -2.5276 0.2311 0.2311 1.1858 1.1858 2.5895 2.5895 3.7210 3.7210 6.1366 6.1366 6.3744 6.3744 6.5685 6.5685 7.0007 7.0007 7.2228 7.2228 10.6332 10.6332 10.9852 10.9852 k = 0.1304 0.3743-0.0000 ( 3873 PWs) bands (ev): -9.9379 -9.9379 -6.0050 -6.0050 -5.8059 -5.8059 -5.7458 -5.7458 -3.8112 -3.8112 -3.6661 -3.6661 -3.6012 -3.6012 -2.4905 -2.4905 0.3155 0.3155 1.0600 1.0600 2.6443 2.6443 3.9435 3.9435 6.1507 6.1507 6.2958 6.2958 6.4630 6.4630 7.0609 7.0609 7.2458 7.2458 10.6471 10.6471 10.8955 10.8955 k = 0.1369 0.3930-0.0000 ( 3869 PWs) bands (ev): -9.8806 -9.8806 -6.1297 -6.1297 -5.8083 -5.8083 -5.7694 -5.7694 -3.8041 -3.8041 -3.6681 -3.6681 -3.6013 -3.6013 -2.4514 -2.4514 0.3988 0.3988 0.9349 0.9349 2.7016 2.7016 4.1712 4.1712 6.0836 6.0836 6.2506 6.2506 6.4055 6.4055 7.1220 7.1220 7.2712 7.2712 10.6052 10.6052 10.8603 10.8603 k = 0.1434 0.4118-0.0000 ( 3873 PWs) bands (ev): -9.8205 -9.8205 -6.2671 -6.2671 -5.8098 -5.8098 -5.7791 -5.7791 -3.7973 -3.7973 -3.6700 -3.6700 -3.6014 -3.6014 -2.4104 -2.4104 0.4812 0.4812 0.8112 0.8112 2.7616 2.7616 4.4029 4.4029 5.9796 5.9796 6.1596 6.1596 6.4321 6.4321 7.1814 7.1814 7.3008 7.3008 10.5101 10.5101 10.8762 10.8762 k = 0.1499 0.4305-0.0000 ( 3861 PWs) bands (ev): -9.7578 -9.7578 -6.4081 -6.4081 -5.8105 -5.8105 -5.7840 -5.7840 -3.7910 -3.7910 -3.6718 -3.6718 -3.6013 -3.6013 -2.3676 -2.3676 0.5611 0.5611 0.6913 0.6913 2.8241 2.8241 4.6371 4.6371 5.8688 5.8688 6.0465 6.0465 6.4900 6.4900 7.2354 7.2354 7.3383 7.3383 10.3944 10.3944 10.9091 10.9091 k = 0.1565 0.4492-0.0000 ( 3857 PWs) bands (ev): -9.6923 -9.6923 -6.5493 -6.5493 -5.8108 -5.8108 -5.7868 -5.7868 -3.7851 -3.7851 -3.6734 -3.6734 -3.6011 -3.6011 -2.3233 -2.3233 0.5586 0.5586 0.6559 0.6559 2.8891 2.8891 4.8713 4.8713 5.7583 5.7583 5.9286 5.9286 6.5563 6.5563 7.2804 7.2804 7.3878 7.3878 10.2722 10.2722 10.9407 10.9407 k = 0.1630 0.4679-0.0000 ( 3861 PWs) bands (ev): -9.6240 -9.6240 -6.6897 -6.6897 -5.8106 -5.8106 -5.7886 -5.7886 -3.7797 -3.7797 -3.6749 -3.6749 -3.6009 -3.6009 -2.2777 -2.2777 0.4446 0.4446 0.7346 0.7346 2.9567 2.9567 5.0993 5.0993 5.6543 5.6543 5.8101 5.8101 6.6256 6.6256 7.3176 7.3176 7.4485 7.4485 10.1482 10.1482 10.9561 10.9561 k = 0.1695 0.4866-0.0000 ( 3861 PWs) bands (ev): -9.5531 -9.5531 -6.8285 -6.8285 -5.8103 -5.8103 -5.7898 -5.7898 -3.7749 -3.7749 -3.6763 -3.6763 -3.6006 -3.6006 -2.2312 -2.2312 0.3299 0.3299 0.8177 0.8177 3.0267 3.0267 5.2926 5.2926 5.5829 5.5829 5.6932 5.6932 6.6962 6.6962 7.3519 7.3519 7.5164 7.5164 10.0247 10.0247 10.9328 10.9328 k = 0.1760 0.5053-0.0000 ( 3861 PWs) bands (ev): -9.4795 -9.4795 -6.9654 -6.9654 -5.8099 -5.8099 -5.7906 -5.7906 -3.7705 -3.7705 -3.6774 -3.6774 -3.6003 -3.6003 -2.1842 -2.1842 0.2181 0.2181 0.9021 0.9021 3.0993 3.0993 5.3309 5.3309 5.5661 5.5661 5.6742 5.6742 6.7681 6.7681 7.3875 7.3875 7.5885 7.5885 9.9031 9.9031 10.8591 10.8591 k = 0.1825 0.5240-0.0000 ( 3855 PWs) bands (ev): -9.4032 -9.4032 -7.1002 -7.1002 -5.8095 -5.8095 -5.7911 -5.7911 -3.7667 -3.7667 -3.6782 -3.6782 -3.6000 -3.6000 -2.1373 -2.1373 0.1105 0.1105 0.9875 0.9875 3.1743 3.1743 5.2488 5.2488 5.4531 5.4531 5.8652 5.8652 6.8427 6.8427 7.4273 7.4273 7.6634 7.6634 9.7847 9.7847 10.7550 10.7550 k = 0.1891 0.5428-0.0000 ( 3853 PWs) bands (ev): -9.3242 -9.3242 -7.2328 -7.2328 -5.8090 -5.8090 -5.7913 -5.7913 -3.7633 -3.7633 -3.6789 -3.6789 -3.5996 -3.5996 -2.0913 -2.0913 0.0078 0.0078 1.0739 1.0739 3.2517 3.2517 5.1459 5.1459 5.3380 5.3380 6.0656 6.0656 6.9236 6.9236 7.4739 7.4739 7.7404 7.7404 9.6707 9.6707 10.6396 10.6396 k = 0.1956 0.5615-0.0000 ( 3849 PWs) bands (ev): -9.2426 -9.2426 -7.3631 -7.3631 -5.8086 -5.8086 -5.7913 -5.7913 -3.7604 -3.7604 -3.6794 -3.6794 -3.5993 -3.5993 -2.0469 -2.0469 -0.0889 -0.0889 1.1615 1.1615 3.3315 3.3315 5.0390 5.0390 5.2240 5.2240 6.2447 6.2447 7.0171 7.0171 7.5302 7.5302 7.8192 7.8192 9.5625 9.5625 10.5209 10.5209 k = 0.2021 0.5802-0.0000 ( 3853 PWs) bands (ev): -9.1584 -9.1584 -7.4909 -7.4909 -5.8083 -5.8083 -5.7910 -5.7910 -3.7580 -3.7580 -3.6796 -3.6796 -3.5990 -3.5990 -2.0054 -2.0054 -0.1784 -0.1784 1.2503 1.2503 3.4136 3.4136 4.9317 4.9317 5.1116 5.1116 6.3871 6.3871 7.1279 7.1279 7.6010 7.6010 7.8999 7.8999 9.4618 9.4618 10.4025 10.4025 k = 0.2086 0.5989-0.0000 ( 3851 PWs) bands (ev): -9.0715 -9.0715 -7.6163 -7.6163 -5.8080 -5.8080 -5.7905 -5.7905 -3.7559 -3.7559 -3.6797 -3.6797 -3.5987 -3.5987 -1.9682 -1.9682 -0.2592 -0.2592 1.3404 1.3404 3.4980 3.4980 4.8250 4.8250 5.0008 5.0008 6.4856 6.4856 7.2502 7.2502 7.6939 7.6939 7.9838 7.9838 9.3704 9.3704 10.2862 10.2862 k = 0.2151 0.6176-0.0000 ( 3853 PWs) bands (ev): -8.9821 -8.9821 -7.7391 -7.7391 -5.8077 -5.8077 -5.7898 -5.7898 -3.7542 -3.7542 -3.6796 -3.6796 -3.5984 -3.5984 -1.9367 -1.9367 -0.3298 -0.3298 1.4316 1.4316 3.5846 3.5846 4.7196 4.7196 4.8920 4.8920 6.5445 6.5445 7.3634 7.3634 7.8183 7.8183 8.0741 8.0741 9.2901 9.2901 10.1731 10.1731 k = 0.2217 0.6363-0.0000 ( 3856 PWs) bands (ev): -8.8901 -8.8901 -7.8594 -7.8594 -5.8075 -5.8075 -5.7889 -5.7889 -3.7527 -3.7527 -3.6794 -3.6794 -3.5981 -3.5981 -1.9129 -1.9129 -0.3885 -0.3885 1.5242 1.5242 3.6733 3.6733 4.6158 4.6158 4.7851 4.7851 6.5732 6.5732 7.4484 7.4484 7.9693 7.9693 8.1817 8.1817 9.2226 9.2226 10.0627 10.0627 k = 0.2282 0.6551-0.0000 ( 3860 PWs) bands (ev): -8.7956 -8.7956 -7.9771 -7.9771 -5.8073 -5.8073 -5.7879 -5.7879 -3.7516 -3.7516 -3.6791 -3.6791 -3.5979 -3.5979 -1.8983 -1.8983 -0.4333 -0.4333 1.6180 1.6180 3.7640 3.7640 4.5137 4.5137 4.6803 4.6803 6.5806 6.5806 7.5010 7.5010 8.1137 8.1137 8.3304 8.3304 9.1690 9.1690 9.9479 9.9479 k = 0.2347 0.6738-0.0000 ( 3860 PWs) bands (ev): -8.6987 -8.6987 -8.0922 -8.0922 -5.8071 -5.8071 -5.7866 -5.7866 -3.7505 -3.7505 -3.6787 -3.6787 -3.5978 -3.5978 -1.8947 -1.8947 -0.4629 -0.4629 1.7131 1.7131 3.8564 3.8564 4.4136 4.4136 4.5779 4.5779 6.5728 6.5728 7.5249 7.5249 8.2287 8.2287 8.5268 8.5268 9.1299 9.1299 9.7950 9.7950 k = 0.2412 0.6925-0.0000 ( 3862 PWs) bands (ev): -8.5993 -8.5993 -8.2047 -8.2047 -5.8069 -5.8069 -5.7851 -5.7851 -3.7497 -3.7497 -3.6782 -3.6782 -3.5977 -3.5977 -1.9028 -1.9028 -0.4765 -0.4765 1.8094 1.8094 3.9500 3.9500 4.3159 4.3159 4.4781 4.4781 6.5539 6.5539 7.5237 7.5237 8.3272 8.3272 8.7340 8.7340 9.1113 9.1113 9.5815 9.5815 k = 0.2477 0.7112-0.0000 ( 3862 PWs) bands (ev): -8.4975 -8.4975 -8.3145 -8.3145 -5.8066 -5.8066 -5.7835 -5.7835 -3.7489 -3.7489 -3.6777 -3.6777 -3.5976 -3.5976 -1.9228 -1.9228 -0.4739 -0.4739 1.9069 1.9069 4.0424 4.0424 4.2219 4.2219 4.3818 4.3818 6.5267 6.5267 7.5006 7.5006 8.4184 8.4184 8.8658 8.8658 9.1562 9.1562 9.3701 9.3701 k = 0.2543 0.7299-0.0000 ( 3854 PWs) bands (ev): -8.4219 -8.4219 -8.3931 -8.3931 -5.8063 -5.8063 -5.7816 -5.7816 -3.7482 -3.7482 -3.6772 -3.6772 -3.5976 -3.5976 -1.9539 -1.9539 -0.4560 -0.4560 2.0055 2.0055 4.0995 4.0995 4.1608 4.1608 4.2944 4.2944 6.4932 6.4932 7.4591 7.4591 8.4948 8.4948 8.8350 8.8350 9.1342 9.1342 9.3955 9.3955 k = 0.2608 0.7486-0.0000 ( 3852 PWs) bands (ev): -8.5261 -8.5261 -8.2870 -8.2870 -5.8060 -5.8060 -5.7794 -5.7794 -3.7476 -3.7476 -3.6767 -3.6767 -3.5976 -3.5976 -1.9948 -1.9948 -0.4243 -0.4243 2.1052 2.1052 4.0251 4.0251 4.1635 4.1635 4.2806 4.2806 6.4549 6.4549 7.4026 7.4026 8.4892 8.4892 8.7613 8.7613 9.0248 9.0248 9.6213 9.6213 k = 0.2673 0.7674-0.0000 ( 3852 PWs) bands (ev): -8.6278 -8.6278 -8.1784 -8.1784 -5.8056 -5.8056 -5.7770 -5.7770 -3.7470 -3.7470 -3.6761 -3.6761 -3.5977 -3.5977 -2.0437 -2.0437 -0.3807 -0.3807 2.2058 2.2058 3.9369 3.9369 4.0853 4.0853 4.3678 4.3678 6.4128 6.4128 7.3348 7.3348 8.3129 8.3129 8.8027 8.8027 8.9424 8.9424 9.8314 9.8314 k = 0.2738 0.7861-0.0000 ( 3864 PWs) bands (ev): -8.7268 -8.7268 -8.0678 -8.0678 -5.8052 -5.8052 -5.7742 -5.7742 -3.7465 -3.7465 -3.6755 -3.6755 -3.5978 -3.5978 -2.0989 -2.0989 -0.3272 -0.3272 2.3073 2.3073 3.8494 3.8494 3.9987 3.9987 4.4686 4.4686 6.3680 6.3680 7.2587 7.2587 8.0703 8.0703 8.8458 8.8458 8.9145 8.9145 9.9315 9.9315 k = 0.2803 0.8048-0.0000 ( 3872 PWs) bands (ev): -8.8231 -8.8231 -7.9552 -7.9552 -5.8048 -5.8048 -5.7710 -5.7710 -3.7459 -3.7459 -3.6748 -3.6748 -3.5980 -3.5980 -2.1586 -2.1586 -0.2656 -0.2656 2.4095 2.4095 3.7639 3.7639 3.9126 3.9126 4.5729 4.5729 6.3213 6.3213 7.1767 7.1767 7.8120 7.8120 8.7732 8.7732 9.0148 9.0148 10.0217 10.0217 k = 0.2803 0.8048-0.0000 ( 3872 PWs) bands (ev): -8.8231 -8.8231 -7.9552 -7.9552 -5.8048 -5.8048 -5.7710 -5.7710 -3.7459 -3.7459 -3.6748 -3.6748 -3.5980 -3.5980 -2.1586 -2.1586 -0.2656 -0.2656 2.4095 2.4095 3.7639 3.7639 3.9126 3.9126 4.5729 4.5729 6.3213 6.3213 7.1767 7.1767 7.8120 7.8120 8.7732 8.7732 9.0148 9.0148 10.0217 10.0217 k = 0.2603 0.8048-0.0000 ( 3864 PWs) bands (ev): -8.7917 -8.7917 -7.9924 -7.9924 -5.8050 -5.8050 -5.7721 -5.7721 -3.7462 -3.7462 -3.6750 -3.6750 -3.5978 -3.5978 -2.1377 -2.1377 -0.2875 -0.2875 2.3735 2.3735 3.7921 3.7921 3.9413 3.9413 4.5385 4.5385 6.3399 6.3399 7.2054 7.2054 7.8994 7.8994 8.7972 8.7972 8.9775 8.9775 9.9883 9.9883 k = 0.2403 0.8048-0.0000 ( 3862 PWs) bands (ev): -8.7608 -8.7608 -8.0284 -8.0284 -5.8053 -5.8053 -5.7732 -5.7732 -3.7467 -3.7467 -3.6752 -3.6752 -3.5974 -3.5974 -2.1160 -2.1160 -0.3101 -0.3101 2.3352 2.3352 3.8202 3.8202 3.9694 3.9694 4.5054 4.5054 6.3643 6.3643 7.2355 7.2355 7.9874 7.9874 8.8165 8.8165 8.9389 8.9389 9.9517 9.9517 k = 0.2203 0.8048-0.0000 ( 3863 PWs) bands (ev): -8.7303 -8.7303 -8.0634 -8.0634 -5.8058 -5.8058 -5.7742 -5.7742 -3.7475 -3.7475 -3.6753 -3.6753 -3.5968 -3.5968 -2.0938 -2.0938 -0.3331 -0.3331 2.2963 2.2963 3.8476 3.8476 3.9959 3.9959 4.4737 4.4737 6.3943 6.3943 7.2667 7.2667 8.0753 8.0753 8.8314 8.8314 8.8994 8.8994 9.9117 9.9117 k = 0.2002 0.8048-0.0000 ( 3863 PWs) bands (ev): -8.7004 -8.7004 -8.0973 -8.0973 -5.8064 -5.8064 -5.7751 -5.7751 -3.7483 -3.7483 -3.6753 -3.6753 -3.5960 -3.5960 -2.0714 -2.0714 -0.3563 -0.3563 2.2583 2.2583 3.8740 3.8740 4.0199 4.0199 4.4433 4.4433 6.4293 6.4293 7.2988 7.2988 8.1623 8.1623 8.8380 8.8380 8.8640 8.8640 9.8687 9.8687 k = 0.1802 0.8048-0.0000 ( 3861 PWs) bands (ev): -8.6709 -8.6709 -8.1301 -8.1301 -5.8071 -5.8071 -5.7758 -5.7758 -3.7493 -3.7493 -3.6753 -3.6753 -3.5950 -3.5950 -2.0491 -2.0491 -0.3794 -0.3794 2.2222 2.2222 3.8993 3.8993 4.0409 4.0409 4.4145 4.4145 6.4684 6.4684 7.3314 7.3314 8.2473 8.2473 8.8079 8.8079 8.8630 8.8630 9.8234 9.8234 k = 0.1602 0.8048-0.0000 ( 3865 PWs) bands (ev): -8.6419 -8.6419 -8.1619 -8.1619 -5.8079 -5.8079 -5.7765 -5.7765 -3.7504 -3.7504 -3.6753 -3.6753 -3.5940 -3.5940 -2.0274 -2.0274 -0.4021 -0.4021 2.1888 2.1888 3.9233 3.9233 4.0587 4.0587 4.3871 4.3871 6.5105 6.5105 7.3640 7.3640 8.3286 8.3286 8.7646 8.7646 8.8748 8.8748 9.7771 9.7771 k = 0.1402 0.8048-0.0000 ( 3865 PWs) bands (ev): -8.6136 -8.6136 -8.1927 -8.1927 -5.8087 -5.8087 -5.7770 -5.7770 -3.7515 -3.7515 -3.6753 -3.6753 -3.5929 -3.5929 -2.0067 -2.0067 -0.4240 -0.4240 2.1586 2.1586 3.9460 3.9460 4.0733 4.0733 4.3615 4.3615 6.5541 6.5541 7.3962 7.3962 8.4042 8.4042 8.7204 8.7204 8.8907 8.8907 9.7308 9.7308 k = 0.1201 0.8048-0.0000 ( 3865 PWs) bands (ev): -8.5858 -8.5858 -8.2225 -8.2225 -5.8095 -5.8095 -5.7774 -5.7774 -3.7525 -3.7525 -3.6752 -3.6752 -3.5919 -3.5919 -1.9874 -1.9874 -0.4444 -0.4444 2.1320 2.1320 3.9672 3.9672 4.0849 4.0849 4.3377 4.3377 6.5973 6.5973 7.4273 7.4273 8.4707 8.4707 8.6776 8.6776 8.9121 8.9121 9.6858 9.6858 k = 0.1001 0.8048-0.0000 ( 3863 PWs) bands (ev): -8.5588 -8.5588 -8.2511 -8.2511 -5.8103 -5.8103 -5.7777 -5.7777 -3.7534 -3.7534 -3.6751 -3.6751 -3.5909 -3.5909 -1.9699 -1.9699 -0.4630 -0.4630 2.1093 2.1093 3.9867 3.9867 4.0938 4.0938 4.3160 4.3160 6.6385 6.6385 7.4565 7.4565 8.5230 8.5230 8.6405 8.6405 8.9412 8.9412 9.6426 9.6426 k = 0.0801 0.8048-0.0000 ( 3865 PWs) bands (ev): -8.5328 -8.5328 -8.2783 -8.2783 -5.8110 -5.8110 -5.7780 -5.7780 -3.7543 -3.7543 -3.6750 -3.6750 -3.5901 -3.5901 -1.9549 -1.9549 -0.4791 -0.4791 2.0905 2.0905 4.0042 4.0042 4.1003 4.1003 4.2968 4.2968 6.6757 6.6757 7.4828 7.4828 8.5480 8.5480 8.6216 8.6216 8.9789 8.9789 9.6012 9.6012 k = 0.0601 0.8048-0.0000 ( 3868 PWs) bands (ev): -8.5083 -8.5083 -8.3038 -8.3038 -5.8115 -5.8115 -5.7782 -5.7782 -3.7550 -3.7550 -3.6750 -3.6750 -3.5893 -3.5893 -1.9426 -1.9426 -0.4922 -0.4922 2.0759 2.0759 4.0194 4.0194 4.1046 4.1046 4.2806 4.2806 6.7070 6.7070 7.5051 7.5051 8.5369 8.5369 8.6314 8.6314 9.0232 9.0232 9.5609 9.5609 k = 0.0400 0.8048-0.0000 ( 3874 PWs) bands (ev): -8.4865 -8.4865 -8.3263 -8.3263 -5.8120 -5.8120 -5.7783 -5.7783 -3.7555 -3.7555 -3.6749 -3.6749 -3.5888 -3.5888 -1.9335 -1.9335 -0.5020 -0.5020 2.0654 2.0654 4.0313 4.0313 4.1073 4.1073 4.2681 4.2681 6.7307 6.7307 7.5223 7.5223 8.5168 8.5168 8.6464 8.6464 9.0683 9.0683 9.5226 9.5226 k = 0.0200 0.8048-0.0000 ( 3871 PWs) bands (ev): -8.4699 -8.4699 -8.3433 -8.3433 -5.8122 -5.8122 -5.7784 -5.7784 -3.7558 -3.7558 -3.6749 -3.6749 -3.5885 -3.5885 -1.9280 -1.9280 -0.5080 -0.5080 2.0592 2.0592 4.0391 4.0391 4.1086 4.1086 4.2601 4.2601 6.7455 6.7455 7.5332 7.5332 8.5022 8.5022 8.6559 8.6559 9.1043 9.1043 9.4919 9.4919 k = 0.0000 0.8048-0.0000 ( 3874 PWs) bands (ev): -8.4632 -8.4632 -8.3501 -8.3501 -5.8123 -5.8123 -5.7784 -5.7784 -3.7559 -3.7559 -3.6749 -3.6749 -3.5884 -3.5884 -1.9261 -1.9261 -0.5100 -0.5100 2.0571 2.0571 4.0418 4.0418 4.1090 4.1090 4.2573 4.2573 6.7506 6.7506 7.5370 7.5370 8.4971 8.4971 8.6590 8.6590 9.1186 9.1186 9.4795 9.4795 k = 0.0000 0.8048-0.0000 ( 3874 PWs) bands (ev): -8.4632 -8.4632 -8.3501 -8.3501 -5.8123 -5.8123 -5.7784 -5.7784 -3.7559 -3.7559 -3.6749 -3.6749 -3.5884 -3.5884 -1.9261 -1.9261 -0.5100 -0.5100 2.0571 2.0571 4.0418 4.0418 4.1090 4.1090 4.2573 4.2573 6.7506 6.7506 7.5370 7.5370 8.4971 8.4971 8.6590 8.6590 9.1186 9.1186 9.4795 9.4795 k = 0.0000 0.8048 0.0202 ( 3876 PWs) bands (ev): -8.4632 -8.4632 -8.3500 -8.3500 -5.8124 -5.8124 -5.7784 -5.7784 -3.7560 -3.7560 -3.6753 -3.6753 -3.5883 -3.5883 -1.9239 -1.9239 -0.5089 -0.5089 2.0570 2.0570 4.0349 4.0349 4.1129 4.1129 4.2568 4.2568 6.7484 6.7484 7.5096 7.5096 8.4630 8.4630 8.6885 8.6885 9.1249 9.1249 9.4686 9.4686 k = 0.0000 0.8048 0.0403 ( 3870 PWs) bands (ev): -8.4629 -8.4629 -8.3497 -8.3497 -5.8126 -5.8126 -5.7785 -5.7785 -3.7565 -3.7565 -3.6766 -3.6766 -3.5882 -3.5882 -1.9175 -1.9175 -0.5056 -0.5056 2.0567 2.0567 4.0174 4.0174 4.1208 4.1208 4.2556 4.2556 6.7415 6.7415 7.4349 7.4349 8.3779 8.3779 8.7587 8.7587 9.1449 9.1449 9.4539 9.4539 k = 0.0000 0.8048 0.0605 ( 3870 PWs) bands (ev): -8.4625 -8.4625 -8.3493 -8.3493 -5.8129 -5.8129 -5.7786 -5.7786 -3.7574 -3.7574 -3.6786 -3.6786 -3.5880 -3.5880 -1.9067 -1.9067 -0.5000 -0.5000 2.0562 2.0562 3.9938 3.9938 4.1279 4.1279 4.2542 4.2542 6.7285 6.7285 7.3289 7.3289 8.2626 8.2626 8.8427 8.8427 9.1831 9.1831 9.4474 9.4474 k = 0.0000 0.8048 0.0807 ( 3862 PWs) bands (ev): -8.4619 -8.4619 -8.3487 -8.3487 -5.8134 -5.8134 -5.7788 -5.7788 -3.7586 -3.7586 -3.6812 -3.6812 -3.5878 -3.5878 -1.8919 -1.8919 -0.4921 -0.4921 2.0554 2.0554 3.9660 3.9660 4.1315 4.1315 4.2538 4.2538 6.7068 6.7068 7.2069 7.2069 8.1311 8.1311 8.9158 8.9158 9.2455 9.2455 9.4539 9.4539 k = 0.0000 0.8048 0.1009 ( 3862 PWs) bands (ev): -8.4611 -8.4611 -8.3479 -8.3479 -5.8140 -5.8140 -5.7790 -5.7790 -3.7603 -3.7603 -3.6843 -3.6843 -3.5874 -3.5874 -1.8729 -1.8729 -0.4821 -0.4821 2.0544 2.0544 3.9349 3.9349 4.1298 4.1298 4.2554 4.2554 6.6715 6.6715 7.0816 7.0816 7.9932 7.9932 8.9651 8.9651 9.3164 9.3164 9.4917 9.4917 k = 0.0000 0.8048 0.1210 ( 3858 PWs) bands (ev): -8.4602 -8.4602 -8.3469 -8.3469 -5.8148 -5.8148 -5.7792 -5.7792 -3.7626 -3.7626 -3.6878 -3.6878 -3.5870 -3.5870 -1.8501 -1.8501 -0.4699 -0.4699 2.0532 2.0532 3.9008 3.9008 4.1225 4.1225 4.2595 4.2595 6.6149 6.6149 6.9646 6.9646 7.8558 7.8558 8.9948 8.9948 9.3557 9.3557 9.5895 9.5895 k = 0.0000 0.8048 0.1412 ( 3856 PWs) bands (ev): -8.4592 -8.4592 -8.3458 -8.3458 -5.8157 -5.8157 -5.7794 -5.7794 -3.7656 -3.7656 -3.6914 -3.6914 -3.5865 -3.5865 -1.8236 -1.8236 -0.4555 -0.4555 2.0516 2.0516 3.8641 3.8641 4.1098 4.1098 4.2658 4.2658 6.5297 6.5297 6.8643 6.8643 7.7244 7.7244 9.0134 9.0134 9.3675 9.3675 9.7299 9.7299 k = 0.0000 0.8048 0.1614 ( 3858 PWs) bands (ev): -8.4580 -8.4580 -8.3446 -8.3446 -5.8169 -5.8169 -5.7796 -5.7796 -3.7694 -3.7694 -3.6948 -3.6948 -3.5858 -3.5858 -1.7936 -1.7936 -0.4389 -0.4389 2.0496 2.0496 3.8248 3.8248 4.0926 4.0926 4.2739 4.2739 6.4166 6.4166 6.7795 6.7795 7.6039 7.6039 9.0263 9.0263 9.3695 9.3695 9.8861 9.8861 k = 0.0000 0.8048 0.1815 ( 3860 PWs) bands (ev): -8.4567 -8.4567 -8.3432 -8.3432 -5.8182 -5.8182 -5.7798 -5.7798 -3.7740 -3.7740 -3.6980 -3.6980 -3.5851 -3.5851 -1.7602 -1.7602 -0.4203 -0.4203 2.0471 2.0471 3.7832 3.7832 4.0718 4.0718 4.2831 4.2831 6.2851 6.2851 6.6993 6.6993 7.4983 7.4983 9.0361 9.0361 9.3677 9.3677 10.0458 10.0458 k = 0.0000 0.8048 0.2017 ( 3858 PWs) bands (ev): -8.4552 -8.4552 -8.3417 -8.3417 -5.8197 -5.8197 -5.7799 -5.7799 -3.7795 -3.7795 -3.7008 -3.7008 -3.5843 -3.5843 -1.7237 -1.7237 -0.3995 -0.3995 2.0442 2.0442 3.7395 3.7395 4.0482 4.0482 4.2929 4.2929 6.1441 6.1441 6.6140 6.6140 7.4104 7.4104 9.0442 9.0442 9.3642 9.3642 10.2023 10.2023 k = 0.0000 0.8048 0.2219 ( 3856 PWs) bands (ev): -8.4537 -8.4537 -8.3401 -8.3401 -5.8214 -5.8214 -5.7800 -5.7800 -3.7858 -3.7858 -3.7031 -3.7031 -3.5834 -3.5834 -1.6843 -1.6843 -0.3768 -0.3768 2.0406 2.0406 3.6938 3.6938 4.0223 4.0223 4.3029 4.3029 5.9995 5.9995 6.5189 6.5189 7.3406 7.3406 9.0514 9.0514 9.3596 9.3596 10.3507 10.3507 k = 0.0000 0.8048 0.2420 ( 3860 PWs) bands (ev): -8.4520 -8.4520 -8.3383 -8.3383 -5.8232 -5.8232 -5.7800 -5.7800 -3.7927 -3.7927 -3.7049 -3.7049 -3.5824 -3.5824 -1.6424 -1.6424 -0.3521 -0.3521 2.0364 2.0364 3.6465 3.6465 3.9947 3.9947 4.3131 4.3131 5.8542 5.8542 6.4137 6.4137 7.2871 7.2871 9.0579 9.0579 9.3542 9.3542 10.4880 10.4880 k = 0.0000 0.8048 0.2622 ( 3868 PWs) bands (ev): -8.4503 -8.4503 -8.3365 -8.3365 -5.8253 -5.8253 -5.7799 -5.7799 -3.8003 -3.8003 -3.7063 -3.7063 -3.5813 -3.5813 -1.5980 -1.5980 -0.3255 -0.3255 2.0315 2.0315 3.5976 3.5976 3.9659 3.9659 4.3230 4.3230 5.7101 5.7101 6.3008 6.3008 7.2469 7.2469 9.0640 9.0640 9.3483 9.3483 10.6123 10.6123 k = 0.0000 0.8048 0.2824 ( 3870 PWs) bands (ev): -8.4485 -8.4485 -8.3346 -8.3346 -5.8274 -5.8274 -5.7798 -5.7798 -3.8083 -3.8083 -3.7073 -3.7073 -3.5802 -3.5802 -1.5515 -1.5515 -0.2971 -0.2971 2.0258 2.0258 3.5474 3.5474 3.9363 3.9363 4.3326 4.3326 5.5684 5.5684 6.1832 6.1832 7.2166 7.2166 9.0699 9.0699 9.3420 9.3420 10.7238 10.7238 k = 0.0000 0.8048 0.3026 ( 3870 PWs) bands (ev): -8.4466 -8.4466 -8.3327 -8.3327 -5.8297 -5.8297 -5.7796 -5.7796 -3.8166 -3.8166 -3.7079 -3.7079 -3.5790 -3.5790 -1.5031 -1.5031 -0.2670 -0.2670 2.0191 2.0191 3.4961 3.4961 3.9061 3.9061 4.3415 4.3415 5.4299 5.4299 6.0639 6.0639 7.1934 7.1934 9.0755 9.0755 9.3354 9.3354 10.8241 10.8241 k = 0.0000 0.8048 0.3227 ( 3874 PWs) bands (ev): -8.4447 -8.4447 -8.3307 -8.3307 -5.8321 -5.8321 -5.7794 -5.7794 -3.8250 -3.8250 -3.7082 -3.7082 -3.5778 -3.5778 -1.4532 -1.4532 -0.2353 -0.2353 2.0115 2.0115 3.4439 3.4439 3.8758 3.8758 4.3496 4.3496 5.2954 5.2954 5.9450 5.9450 7.1750 7.1750 9.0810 9.0810 9.3285 9.3285 10.9150 10.9150 k = 0.0000 0.8048 0.3429 ( 3874 PWs) bands (ev): -8.4428 -8.4428 -8.3287 -8.3287 -5.8346 -5.8346 -5.7792 -5.7792 -3.8334 -3.8334 -3.7083 -3.7083 -3.5765 -3.5765 -1.4019 -1.4019 -0.2021 -0.2021 2.0029 2.0029 3.3910 3.3910 3.8457 3.8457 4.3565 4.3565 5.1654 5.1654 5.8287 5.8287 7.1600 7.1600 9.0864 9.0864 9.3216 9.3216 10.9985 10.9985 k = 0.0000 0.8048 0.3631 ( 3874 PWs) bands (ev): -8.4409 -8.4409 -8.3266 -8.3266 -5.8371 -5.8371 -5.7788 -5.7788 -3.8418 -3.8418 -3.7082 -3.7082 -3.5753 -3.5753 -1.3497 -1.3497 -0.1676 -0.1676 1.9931 1.9931 3.3376 3.3376 3.8161 3.8161 4.3618 4.3618 5.0404 5.0404 5.7163 5.7163 7.1472 7.1472 9.0917 9.0917 9.3145 9.3145 11.0760 11.0760 k = 0.0000 0.8048 0.3832 ( 3872 PWs) bands (ev): -8.4390 -8.4390 -8.3246 -8.3246 -5.8396 -5.8396 -5.7785 -5.7785 -3.8499 -3.8499 -3.7079 -3.7079 -3.5740 -3.5740 -1.2968 -1.2968 -0.1321 -0.1321 1.9821 1.9821 3.2839 3.2839 3.7872 3.7872 4.3650 4.3650 4.9211 4.9211 5.6091 5.6091 7.1358 7.1358 9.0968 9.0968 9.3075 9.3075 11.1488 11.1488 k = 0.0000 0.8048 0.4034 ( 3870 PWs) bands (ev): -8.4371 -8.4371 -8.3226 -8.3226 -5.8422 -5.8422 -5.7782 -5.7782 -3.8579 -3.8579 -3.7076 -3.7076 -3.5727 -3.5727 -1.2435 -1.2435 -0.0956 -0.0956 1.9700 1.9700 3.2302 3.2302 3.7593 3.7593 4.3654 4.3654 4.8082 4.8082 5.5083 5.5083 7.1254 7.1254 9.1018 9.1018 9.3005 9.3005 11.2176 11.2176 k = 0.0000 0.8048 0.4236 ( 3868 PWs) bands (ev): -8.4352 -8.4352 -8.3207 -8.3207 -5.8447 -5.8447 -5.7778 -5.7778 -3.8655 -3.8655 -3.7072 -3.7072 -3.5714 -3.5714 -1.1903 -1.1903 -0.0584 -0.0584 1.9567 1.9567 3.1767 3.1767 3.7327 3.7327 4.3618 4.3618 4.7028 4.7028 5.4147 5.4147 7.1157 7.1157 9.1066 9.1066 9.2937 9.2937 11.2829 11.2829 k = 0.0000 0.8048 0.4437 ( 3868 PWs) bands (ev): -8.4334 -8.4334 -8.3188 -8.3188 -5.8472 -5.8472 -5.7774 -5.7774 -3.8727 -3.8727 -3.7067 -3.7067 -3.5702 -3.5702 -1.1375 -1.1375 -0.0209 -0.0209 1.9423 1.9423 3.1238 3.1238 3.7076 3.7076 4.3524 4.3524 4.6067 4.6067 5.3292 5.3292 7.1064 7.1064 9.1112 9.1112 9.2872 9.2872 11.3451 11.3451 k = 0.0000 0.8048 0.4639 ( 3870 PWs) bands (ev): -8.4316 -8.4316 -8.3169 -8.3169 -5.8496 -5.8496 -5.7771 -5.7771 -3.8795 -3.8795 -3.7062 -3.7062 -3.5690 -3.5690 -1.0855 -1.0855 0.0167 0.0167 1.9269 1.9269 3.0717 3.0717 3.6841 3.6841 4.3333 4.3333 4.5237 4.5237 5.2524 5.2524 7.0974 7.0974 9.1157 9.1157 9.2808 9.2808 11.4044 11.4044 k = 0.0000 0.8048 0.4841 ( 3878 PWs) bands (ev): -8.4300 -8.4300 -8.3152 -8.3152 -5.8519 -5.8519 -5.7767 -5.7767 -3.8859 -3.8859 -3.7057 -3.7057 -3.5678 -3.5678 -1.0347 -1.0347 0.0540 0.0540 1.9106 1.9106 3.0208 3.0208 3.6626 3.6626 4.2990 4.2990 4.4594 4.4594 5.1848 5.1848 7.0887 7.0887 9.1199 9.1199 9.2748 9.2748 11.4609 11.4609 k = 0.0000 0.8048 0.5043 ( 3876 PWs) bands (ev): -8.4284 -8.4284 -8.3135 -8.3135 -5.8541 -5.8541 -5.7763 -5.7763 -3.8917 -3.8917 -3.7051 -3.7051 -3.5667 -3.5667 -0.9857 -0.9857 0.0906 0.0906 1.8936 1.8936 2.9714 2.9714 3.6430 3.6430 4.2478 4.2478 4.4158 4.4158 5.1267 5.1267 7.0803 7.0803 9.1238 9.1238 9.2692 9.2692 11.5148 11.5148 k = 0.0000 0.8048 0.5244 ( 3874 PWs) bands (ev): -8.4269 -8.4269 -8.3120 -8.3120 -5.8562 -5.8562 -5.7760 -5.7760 -3.8971 -3.8971 -3.7046 -3.7046 -3.5656 -3.5656 -0.9390 -0.9390 0.1261 0.1261 1.8763 1.8763 2.9242 2.9242 3.6256 3.6256 4.1874 4.1874 4.3857 4.3857 5.0778 5.0778 7.0722 7.0722 9.1275 9.1275 9.2640 9.2640 11.5661 11.5661 k = 0.0000 0.8048 0.5446 ( 3884 PWs) bands (ev): -8.4256 -8.4256 -8.3106 -8.3106 -5.8581 -5.8581 -5.7757 -5.7757 -3.9019 -3.9019 -3.7042 -3.7042 -3.5647 -3.5647 -0.8951 -0.8951 0.1600 0.1600 1.8589 1.8589 2.8796 2.8796 3.6104 3.6104 4.1261 4.1261 4.3614 4.3614 5.0377 5.0377 7.0647 7.0647 9.1308 9.1308 9.2593 9.2593 11.6148 11.6148 k = 0.0000 0.8048 0.5648 ( 3884 PWs) bands (ev): -8.4244 -8.4244 -8.3093 -8.3093 -5.8598 -5.8598 -5.7754 -5.7754 -3.9062 -3.9062 -3.7037 -3.7037 -3.5638 -3.5638 -0.8545 -0.8545 0.1917 0.1917 1.8420 1.8420 2.8382 2.8382 3.5975 3.5975 4.0683 4.0683 4.3395 4.3395 5.0056 5.0056 7.0576 7.0576 9.1339 9.1339 9.2550 9.2550 11.6608 11.6608 k = 0.0000 0.8048 0.5849 ( 3886 PWs) bands (ev): -8.4233 -8.4233 -8.3082 -8.3082 -5.8613 -5.8613 -5.7752 -5.7752 -3.9100 -3.9100 -3.7033 -3.7033 -3.5631 -3.5631 -0.8178 -0.8178 0.2208 0.2208 1.8259 1.8259 2.8005 2.8005 3.5869 3.5869 4.0162 4.0162 4.3192 4.3192 4.9806 4.9806 7.0512 7.0512 9.1366 9.1366 9.2513 9.2513 11.7040 11.7040 k = 0.0000 0.8048 0.6051 ( 3882 PWs) bands (ev): -8.4224 -8.4224 -8.3072 -8.3072 -5.8626 -5.8626 -5.7750 -5.7750 -3.9132 -3.9132 -3.7030 -3.7030 -3.5624 -3.5624 -0.7856 -0.7856 0.2466 0.2466 1.8111 1.8111 2.7672 2.7672 3.5785 3.5785 3.9708 3.9708 4.3006 4.3006 4.9616 4.9616 7.0456 7.0456 9.1389 9.1389 9.2481 9.2481 11.7441 11.7441 k = 0.0000 0.8048 0.6253 ( 3886 PWs) bands (ev): -8.4216 -8.4216 -8.3064 -8.3064 -5.8637 -5.8637 -5.7748 -5.7748 -3.9158 -3.9158 -3.7027 -3.7027 -3.5618 -3.5618 -0.7584 -0.7584 0.2686 0.2686 1.7981 1.7981 2.7390 2.7390 3.5721 3.5721 3.9327 3.9327 4.2843 4.2843 4.9475 4.9475 7.0409 7.0409 9.1408 9.1408 9.2455 9.2455 11.7807 11.7807 k = 0.0000 0.8048 0.6454 ( 3886 PWs) bands (ev): -8.4210 -8.4210 -8.3057 -8.3057 -5.8646 -5.8646 -5.7746 -5.7746 -3.9178 -3.9178 -3.7024 -3.7024 -3.5614 -3.5614 -0.7366 -0.7366 0.2863 0.2863 1.7875 1.7875 2.7164 2.7164 3.5676 3.5676 3.9024 3.9024 4.2709 4.2709 4.9375 4.9375 7.0371 7.0371 9.1423 9.1423 9.2434 9.2434 11.8129 11.8129 k = 0.0000 0.8048 0.6656 ( 3886 PWs) bands (ev): -8.4206 -8.4206 -8.3053 -8.3053 -5.8652 -5.8652 -5.7745 -5.7745 -3.9193 -3.9193 -3.7023 -3.7023 -3.5611 -3.5611 -0.7208 -0.7208 0.2993 0.2993 1.7796 1.7796 2.6998 2.6998 3.5647 3.5647 3.8804 3.8804 4.2609 4.2609 4.9309 4.9309 7.0343 7.0343 9.1434 9.1434 9.2419 9.2419 11.8389 11.8389 k = 0.0000 0.8048 0.6858 ( 3884 PWs) bands (ev): -8.4203 -8.4203 -8.3050 -8.3050 -5.8656 -5.8656 -5.7745 -5.7745 -3.9202 -3.9202 -3.7022 -3.7022 -3.5609 -3.5609 -0.7112 -0.7112 0.3073 0.3073 1.7747 1.7747 2.6897 2.6897 3.5631 3.5631 3.8670 3.8670 4.2548 4.2548 4.9271 4.9271 7.0326 7.0326 9.1440 9.1440 9.2410 9.2410 11.8565 11.8565 k = 0.0000 0.8048 0.7060 ( 3884 PWs) bands (ev): -8.4202 -8.4202 -8.3049 -8.3049 -5.8657 -5.8657 -5.7744 -5.7744 -3.9205 -3.9205 -3.7021 -3.7021 -3.5608 -3.5608 -0.7079 -0.7079 0.3100 0.3100 1.7730 1.7730 2.6863 2.6863 3.5626 3.5626 3.8625 3.8625 4.2527 4.2527 4.9258 4.9258 7.0320 7.0320 9.1442 9.1442 9.2407 9.2407 11.8628 11.8628 k = 0.0000 0.8048 0.7060 ( 3884 PWs) bands (ev): -8.4202 -8.4202 -8.3049 -8.3049 -5.8657 -5.8657 -5.7744 -5.7744 -3.9205 -3.9205 -3.7021 -3.7021 -3.5608 -3.5608 -0.7079 -0.7079 0.3100 0.3100 1.7730 1.7730 2.6863 2.6863 3.5626 3.5626 3.8625 3.8625 4.2527 4.2527 4.9258 4.9258 7.0320 7.0320 9.1442 9.1442 9.2407 9.2407 11.8628 11.8628 k = 0.0200 0.8048 0.7060 ( 3888 PWs) bands (ev): -8.4267 -8.4267 -8.2983 -8.2983 -5.8657 -5.8657 -5.7744 -5.7744 -3.9204 -3.9204 -3.7021 -3.7021 -3.5610 -3.5610 -0.7082 -0.7082 0.3063 0.3063 1.7801 1.7801 2.6877 2.6877 3.5541 3.5541 3.8602 3.8602 4.2587 4.2587 4.9285 4.9285 7.0321 7.0321 9.0902 9.0902 9.2961 9.2961 11.8270 11.8270 k = 0.0400 0.8048 0.7060 ( 3888 PWs) bands (ev): -8.4431 -8.4431 -8.2815 -8.2815 -5.8655 -5.8655 -5.7741 -5.7741 -3.9202 -3.9202 -3.7020 -3.7020 -3.5613 -3.5613 -0.7089 -0.7089 0.2954 0.2954 1.8012 1.8012 2.6918 2.6918 3.5301 3.5301 3.8523 3.8523 4.2766 4.2766 4.9361 4.9361 7.0324 7.0324 9.0070 9.0070 9.3831 9.3831 11.7333 11.7333 k = 0.0601 0.8048 0.7060 ( 3890 PWs) bands (ev): -8.4648 -8.4648 -8.2592 -8.2592 -5.8654 -5.8654 -5.7737 -5.7737 -3.9200 -3.9200 -3.7018 -3.7018 -3.5618 -3.5618 -0.7101 -0.7101 0.2782 0.2782 1.8352 1.8352 2.6987 2.6987 3.4940 3.4940 3.8378 3.8378 4.3049 4.3049 4.9476 4.9476 7.0330 7.0330 8.9216 8.9216 9.4748 9.4748 11.6065 11.6065 k = 0.0801 0.8048 0.7060 ( 3890 PWs) bands (ev): -8.4892 -8.4892 -8.2339 -8.2339 -5.8651 -5.8651 -5.7731 -5.7731 -3.9196 -3.9196 -3.7016 -3.7016 -3.5626 -3.5626 -0.7119 -0.7119 0.2556 0.2556 1.8810 1.8810 2.7084 2.7084 3.4495 3.4495 3.8162 3.8162 4.3417 4.3417 4.9615 4.9615 7.0339 7.0339 8.8367 8.8367 9.5682 9.5682 11.4648 11.4648 k = 0.1001 0.8048 0.7060 ( 3892 PWs) bands (ev): -8.5151 -8.5151 -8.2068 -8.2068 -5.8648 -5.8648 -5.7724 -5.7724 -3.9191 -3.9191 -3.7013 -3.7013 -3.5635 -3.5635 -0.7141 -0.7141 0.2289 0.2289 1.9369 1.9369 2.7207 2.7207 3.3996 3.3996 3.7886 3.7886 4.3845 4.3845 4.9762 4.9762 7.0352 7.0352 8.7529 8.7529 9.6626 9.6626 11.3191 11.3191 k = 0.1201 0.8048 0.7060 ( 3892 PWs) bands (ev): -8.5421 -8.5421 -8.1783 -8.1783 -5.8645 -5.8645 -5.7715 -5.7715 -3.9185 -3.9185 -3.7009 -3.7009 -3.5645 -3.5645 -0.7169 -0.7169 0.1992 0.1992 2.0011 2.0011 2.7358 2.7358 3.3466 3.3466 3.7567 3.7567 4.4311 4.4311 4.9899 4.9899 7.0370 7.0370 8.6702 8.6702 9.7575 9.7575 11.1758 11.1758 k = 0.1402 0.8048 0.7060 ( 3894 PWs) bands (ev): -8.5698 -8.5698 -8.1487 -8.1487 -5.8641 -5.8641 -5.7705 -5.7705 -3.9179 -3.9179 -3.7006 -3.7006 -3.5656 -3.5656 -0.7203 -0.7203 0.1677 0.1677 2.0717 2.0717 2.7536 2.7536 3.2919 3.2919 3.7228 3.7228 4.4796 4.4796 5.0009 5.0009 7.0395 7.0395 8.5885 8.5885 9.8524 9.8524 11.0394 11.0394 k = 0.1602 0.8048 0.7060 ( 3894 PWs) bands (ev): -8.5982 -8.5982 -8.1181 -8.1181 -5.8637 -5.8637 -5.7694 -5.7694 -3.9172 -3.9172 -3.7002 -3.7002 -3.5667 -3.5667 -0.7243 -0.7243 0.1353 0.1353 2.1465 2.1465 2.7740 2.7740 3.2368 3.2368 3.6889 3.6889 4.5284 4.5284 5.0077 5.0077 7.0427 7.0427 8.5075 8.5075 9.9467 9.9467 10.9133 10.9133 k = 0.1802 0.8048 0.7060 ( 3894 PWs) bands (ev): -8.6271 -8.6271 -8.0864 -8.0864 -5.8633 -5.8633 -5.7682 -5.7682 -3.9165 -3.9165 -3.6998 -3.6998 -3.5678 -3.5678 -0.7289 -0.7289 0.1029 0.1029 2.2233 2.2233 2.7970 2.7970 3.1820 3.1820 3.6576 3.6576 4.5763 4.5763 5.0092 5.0092 7.0468 7.0468 8.4267 8.4267 10.0396 10.0396 10.8006 10.8006 k = 0.2002 0.8048 0.7060 ( 3884 PWs) bands (ev): -8.6566 -8.6566 -8.0537 -8.0537 -5.8629 -5.8629 -5.7669 -5.7669 -3.9158 -3.9158 -3.6994 -3.6994 -3.5688 -3.5688 -0.7342 -0.7342 0.0712 0.0712 2.2993 2.2993 2.8224 2.8224 3.1284 3.1284 3.6315 3.6315 4.6224 4.6224 5.0043 5.0043 7.0516 7.0516 8.3456 8.3456 10.1293 10.1293 10.7050 10.7050 k = 0.2203 0.8048 0.7060 ( 3890 PWs) bands (ev): -8.6866 -8.6866 -8.0199 -8.0199 -5.8625 -5.8625 -5.7656 -5.7656 -3.9150 -3.9150 -3.6991 -3.6991 -3.5697 -3.5697 -0.7401 -0.7401 0.0407 0.0407 2.3715 2.3715 2.8502 2.8502 3.0764 3.0764 3.6137 3.6137 4.6658 4.6658 4.9923 4.9923 7.0572 7.0572 8.2635 8.2635 10.2120 10.2120 10.6317 10.6317 k = 0.2403 0.8048 0.7060 ( 3890 PWs) bands (ev): -8.7171 -8.7171 -7.9851 -7.9851 -5.8622 -5.8622 -5.7642 -5.7642 -3.9142 -3.9142 -3.6988 -3.6988 -3.5704 -3.5704 -0.7468 -0.7468 0.0119 0.0119 2.4364 2.4364 2.8799 2.8799 3.0268 3.0268 3.6073 3.6073 4.7058 4.7058 4.9731 4.9731 7.0635 7.0635 8.1799 8.1799 10.2793 10.2793 10.5906 10.5906 k = 0.2603 0.8048 0.7060 ( 3892 PWs) bands (ev): -8.7480 -8.7480 -7.9491 -7.9491 -5.8618 -5.8618 -5.7629 -5.7629 -3.9134 -3.9134 -3.6986 -3.6986 -3.5710 -3.5710 -0.7543 -0.7543 -0.0149 -0.0149 2.4902 2.4902 2.9096 2.9096 2.9818 2.9818 3.6159 3.6159 4.7418 4.7418 4.9468 4.9468 7.0703 7.0703 8.0942 8.0942 10.3184 10.3184 10.5951 10.5951 k = 0.2803 0.8048 0.7060 ( 3892 PWs) bands (ev): -8.7793 -8.7793 -7.9121 -7.9121 -5.8615 -5.8615 -5.7616 -5.7616 -3.9127 -3.9127 -3.6985 -3.6985 -3.5714 -3.5714 -0.7625 -0.7625 -0.0394 -0.0394 2.5299 2.5299 2.9177 2.9177 2.9631 2.9631 3.6421 3.6421 4.7723 4.7723 4.9149 4.9149 7.0774 7.0774 8.0060 8.0060 10.3303 10.3303 10.6447 10.6447 k = 0.2803 0.8048 0.7060 ( 3892 PWs) bands (ev): -8.7793 -8.7793 -7.9121 -7.9121 -5.8615 -5.8615 -5.7616 -5.7616 -3.9127 -3.9127 -3.6985 -3.6985 -3.5714 -3.5714 -0.7625 -0.7625 -0.0394 -0.0394 2.5299 2.5299 2.9177 2.9177 2.9631 2.9631 3.6421 3.6421 4.7723 4.7723 4.9149 4.9149 7.0774 7.0774 8.0060 8.0060 10.3303 10.3303 10.6447 10.6447 k = 0.2738 0.7861 0.7060 ( 3892 PWs) bands (ev): -8.6831 -8.6831 -8.0243 -8.0243 -5.8623 -5.8623 -5.7652 -5.7652 -3.9147 -3.9147 -3.6987 -3.6987 -3.5707 -3.5707 -0.7394 -0.7394 0.0299 0.0299 2.4339 2.4339 2.8962 2.8962 3.0150 3.0150 3.5394 3.5394 4.6841 4.6841 5.0254 5.0254 7.0553 7.0553 8.2775 8.2775 10.2019 10.2019 10.5619 10.5619 k = 0.2673 0.7674 0.7060 ( 3896 PWs) bands (ev): -8.5841 -8.5841 -8.1347 -8.1347 -5.8630 -5.8630 -5.7684 -5.7684 -3.9163 -3.9163 -3.6988 -3.6988 -3.5702 -3.5702 -0.7223 -0.7223 0.0970 0.0970 2.3377 2.3377 2.8455 2.8455 3.1069 3.1069 3.4454 3.4454 4.5958 4.5958 5.1407 5.1407 7.0314 7.0314 8.5531 8.5531 9.9387 9.9387 10.6165 10.6165 k = 0.2608 0.7486 0.7060 ( 3884 PWs) bands (ev): -8.4825 -8.4825 -8.2429 -8.2429 -5.8634 -5.8634 -5.7711 -5.7711 -3.9173 -3.9173 -3.6989 -3.6989 -3.5697 -3.5697 -0.7115 -0.7115 0.1613 0.1613 2.2420 2.2420 2.8018 2.8018 3.2014 3.2014 3.3617 3.3617 4.5123 4.5123 5.2571 5.2571 7.0057 7.0057 8.8321 8.8321 9.6516 9.6516 10.6983 10.6983 k = 0.2543 0.7299 0.7060 ( 3876 PWs) bands (ev): -8.3783 -8.3783 -8.3488 -8.3488 -5.8636 -5.8636 -5.7735 -5.7735 -3.9179 -3.9179 -3.6989 -3.6989 -3.5695 -3.5695 -0.7074 -0.7074 0.2218 0.2218 2.1469 2.1469 2.7652 2.7652 3.2706 3.2706 3.3159 3.3159 4.4349 4.4349 5.3744 5.3744 6.9784 6.9784 9.1118 9.1118 9.3614 9.3614 10.7888 10.7888 k = 0.2477 0.7112 0.7060 ( 3880 PWs) bands (ev): -8.4530 -8.4530 -8.2709 -8.2709 -5.8636 -5.8636 -5.7756 -5.7756 -3.9180 -3.9180 -3.6989 -3.6989 -3.5693 -3.5693 -0.7099 -0.7099 0.2776 0.2776 2.0525 2.0525 2.7351 2.7351 3.2176 3.2176 3.4059 3.4059 4.3644 4.3644 5.4925 5.4925 6.9496 6.9496 9.0607 9.0607 9.4029 9.4029 10.8842 10.8842 k = 0.2412 0.6925 0.7060 ( 3880 PWs) bands (ev): -8.5546 -8.5546 -8.1612 -8.1612 -5.8633 -5.8633 -5.7774 -5.7774 -3.9175 -3.9175 -3.6989 -3.6989 -3.5693 -3.5693 -0.7190 -0.7190 0.3277 0.3277 1.9590 1.9590 2.7108 2.7108 3.1665 3.1665 3.5083 3.5083 4.3021 4.3021 5.6117 5.6117 6.9194 6.9194 8.7686 8.7686 9.6872 9.6872 10.9832 10.9832 k = 0.2347 0.6738 0.7060 ( 3888 PWs) bands (ev): -8.6538 -8.6538 -8.0488 -8.0488 -5.8628 -5.8628 -5.7790 -5.7790 -3.9166 -3.9166 -3.6990 -3.6990 -3.5694 -3.5694 -0.7347 -0.7347 0.3712 0.3712 1.8663 1.8663 2.6910 2.6910 3.1276 3.1276 3.6136 3.6136 4.2490 4.2490 5.7318 5.7318 6.8880 6.8880 8.4764 8.4764 9.9735 9.9735 11.0851 11.0851 k = 0.2282 0.6551 0.7060 ( 3888 PWs) bands (ev): -8.7506 -8.7506 -7.9337 -7.9337 -5.8621 -5.8621 -5.7804 -5.7804 -3.9151 -3.9151 -3.6990 -3.6990 -3.5696 -3.5696 -0.7566 -0.7566 0.4074 0.4074 1.7745 1.7745 2.6744 2.6744 3.1021 3.1021 3.7212 3.7212 4.2064 4.2064 5.8530 5.8530 6.8557 6.8557 8.1858 8.1858 10.2596 10.2596 11.1895 11.1895 k = 0.2217 0.6363 0.7060 ( 3884 PWs) bands (ev): -8.8449 -8.8449 -7.8161 -7.8161 -5.8612 -5.8612 -5.7817 -5.7817 -3.9131 -3.9131 -3.6991 -3.6991 -3.5699 -3.5699 -0.7843 -0.7843 0.4354 0.4354 1.6836 1.6836 2.6595 2.6595 3.0907 3.0907 3.8307 3.8307 4.1757 4.1757 5.9751 5.9751 6.8226 6.8226 7.8976 7.8976 10.5441 10.5441 11.2960 11.2960 k = 0.2151 0.6176 0.7060 ( 3892 PWs) bands (ev): -8.9367 -8.9367 -7.6958 -7.6958 -5.8600 -5.8600 -5.7827 -5.7827 -3.9107 -3.9107 -3.6992 -3.6992 -3.5704 -3.5704 -0.8174 -0.8174 0.4549 0.4549 1.5937 1.5937 2.6448 2.6448 3.0937 3.0937 3.9418 3.9418 4.1586 4.1586 6.0977 6.0977 6.7888 6.7888 7.6126 7.6126 10.8253 10.8253 11.4048 11.4048 k = 0.2086 0.5989 0.7060 ( 3894 PWs) bands (ev): -9.0260 -9.0260 -7.5730 -7.5730 -5.8586 -5.8586 -5.7837 -5.7837 -3.9077 -3.9077 -3.6993 -3.6993 -3.5709 -3.5709 -0.8554 -0.8554 0.4657 0.4657 1.5047 1.5047 2.6286 2.6286 3.1114 3.1114 4.0522 4.0522 4.1579 4.1579 6.2197 6.2197 6.7547 6.7547 7.3323 7.3323 11.0999 11.0999 11.5163 11.5163 k = 0.2021 0.5802 0.7060 ( 3890 PWs) bands (ev): -9.1127 -9.1127 -7.4477 -7.4477 -5.8570 -5.8570 -5.7844 -5.7844 -3.9042 -3.9042 -3.6995 -3.6995 -3.5716 -3.5716 -0.8976 -0.8976 0.4682 0.4682 1.4165 1.4165 2.6099 2.6099 3.1436 3.1436 4.1398 4.1398 4.1963 4.1963 6.3379 6.3379 6.7193 6.7193 7.0611 7.0611 11.3619 11.3619 11.6337 11.6337 k = 0.1956 0.5615 0.7060 ( 3890 PWs) bands (ev): -9.1968 -9.1968 -7.3199 -7.3199 -5.8551 -5.8551 -5.7850 -5.7850 -3.9003 -3.9003 -3.6997 -3.6997 -3.5723 -3.5723 -0.9436 -0.9436 0.4626 0.4626 1.3291 1.3291 2.5876 2.5876 3.1898 3.1898 4.1782 4.1782 4.3004 4.3004 6.4387 6.4387 6.6694 6.6694 6.8266 6.8266 11.5927 11.5927 11.7712 11.7712 k = 0.1891 0.5428 0.7060 ( 3890 PWs) bands (ev): -9.2783 -9.2783 -7.1897 -7.1897 -5.8531 -5.8531 -5.7855 -5.7855 -3.8958 -3.8958 -3.7000 -3.7000 -3.5731 -3.5731 -0.9929 -0.9929 0.4499 0.4499 1.2425 1.2425 2.5614 2.5614 3.2494 3.2494 4.2195 4.2195 4.4176 4.4176 6.4106 6.4106 6.5889 6.5889 6.7569 6.7569 11.7588 11.7588 11.9563 11.9563 k = 0.1825 0.5240 0.7060 ( 3890 PWs) bands (ev): -9.3571 -9.3571 -7.0572 -7.0572 -5.8508 -5.8508 -5.7858 -5.7858 -3.8908 -3.8908 -3.7003 -3.7003 -3.5739 -3.5739 -1.0447 -1.0447 0.4308 0.4308 1.1566 1.1566 2.5313 2.5313 3.3215 3.3215 4.2731 4.2731 4.5377 4.5377 6.1816 6.1816 6.5781 6.5781 6.8243 6.8243 11.8762 11.8762 12.1645 12.1645 k = 0.1760 0.5053 0.7060 ( 3890 PWs) bands (ev): -9.4333 -9.4333 -6.9225 -6.9225 -5.8483 -5.8483 -5.7858 -5.7858 -3.8854 -3.8854 -3.7006 -3.7006 -3.5748 -3.5748 -1.0988 -1.0988 0.4064 0.4064 1.0712 1.0712 2.4976 2.4976 3.4049 3.4049 4.3391 4.3391 4.6591 4.6591 5.9255 5.9255 6.5543 6.5543 6.9383 6.9383 11.9727 11.9727 12.3565 12.3565 k = 0.1695 0.4866 0.7060 ( 3882 PWs) bands (ev): -9.5068 -9.5068 -6.7857 -6.7857 -5.8456 -5.8456 -5.7856 -5.7856 -3.8795 -3.8795 -3.7009 -3.7009 -3.5758 -3.5758 -1.1545 -1.1545 0.3775 0.3775 0.9862 0.9862 2.4608 2.4608 3.4987 3.4987 4.4167 4.4167 4.7804 4.7804 5.6699 5.6699 6.5242 6.5242 7.0665 7.0665 12.0539 12.0539 12.5134 12.5134 k = 0.1630 0.4679 0.7060 ( 3878 PWs) bands (ev): -9.5777 -9.5777 -6.6470 -6.6470 -5.8426 -5.8426 -5.7849 -5.7849 -3.8732 -3.8732 -3.7013 -3.7013 -3.5768 -3.5768 -1.2114 -1.2114 0.3452 0.3452 0.9014 0.9014 2.4216 2.4216 3.6019 3.6019 4.5047 4.5047 4.8975 4.8975 5.4231 5.4231 6.4922 6.4922 7.2004 7.2004 12.1179 12.1179 12.6252 12.6252 k = 0.1565 0.4492 0.7060 ( 3880 PWs) bands (ev): -9.6458 -9.6458 -6.5070 -6.5070 -5.8393 -5.8393 -5.7836 -5.7836 -3.8664 -3.8664 -3.7016 -3.7016 -3.5778 -3.5778 -1.2692 -1.2692 0.3103 0.3103 0.8167 0.8167 2.3806 2.3806 3.7133 3.7133 4.6012 4.6012 4.9808 4.9808 5.2168 5.2168 6.4600 6.4600 7.3376 7.3376 12.1607 12.1607 12.6906 12.6906 k = 0.1499 0.4305 0.7060 ( 3888 PWs) bands (ev): -9.7112 -9.7112 -6.3662 -6.3662 -5.8354 -5.8354 -5.7810 -5.7810 -3.8591 -3.8591 -3.7020 -3.7020 -3.5788 -3.5788 -1.3275 -1.3275 0.2736 0.2736 0.7318 0.7318 2.3385 2.3385 3.8322 3.8322 4.6971 4.6971 4.8754 4.8754 5.2142 5.2142 6.4281 6.4281 7.4769 7.4769 12.1780 12.1780 12.7162 12.7162 k = 0.1434 0.4118 0.7060 ( 3888 PWs) bands (ev): -9.7739 -9.7739 -6.2264 -6.2264 -5.8308 -5.8308 -5.7760 -5.7760 -3.8515 -3.8515 -3.7023 -3.7023 -3.5799 -3.5799 -1.3858 -1.3858 0.2357 0.2357 0.6465 0.6465 2.2958 2.2958 3.9575 3.9575 4.6203 4.6203 4.8440 4.8440 5.3247 5.3247 6.3971 6.3971 7.6176 7.6176 12.1672 12.1672 12.7119 12.7119 k = 0.1369 0.3930 0.7060 ( 3876 PWs) bands (ev): -9.8339 -9.8339 -6.0916 -6.0916 -5.8251 -5.8251 -5.7648 -5.7648 -3.8435 -3.8435 -3.7024 -3.7024 -3.5809 -3.5809 -1.4439 -1.4439 0.1972 0.1972 0.5604 0.5604 2.2529 2.2529 4.0882 4.0882 4.3985 4.3985 4.9577 4.9577 5.4492 5.4492 6.3674 6.3674 7.7593 7.7593 12.1279 12.1279 12.6863 12.6863 k = 0.1304 0.3743 0.7060 ( 3880 PWs) bands (ev): -9.8911 -9.8911 -5.9745 -5.9745 -5.8183 -5.8183 -5.7350 -5.7350 -3.8353 -3.8353 -3.7025 -3.7025 -3.5819 -3.5819 -1.5015 -1.5015 0.1586 0.1586 0.4731 0.4731 2.2104 2.2104 4.1640 4.1640 4.2337 4.2337 5.0840 5.0840 5.5771 5.5771 6.3392 6.3392 7.9015 7.9015 12.0626 12.0626 12.6454 12.6454 k = 0.1239 0.3556 0.7060 ( 3876 PWs) bands (ev): -9.9456 -9.9456 -5.8996 -5.8996 -5.8116 -5.8116 -5.6609 -5.6609 -3.8267 -3.8267 -3.7024 -3.7024 -3.5829 -3.5829 -1.5584 -1.5584 0.1204 0.1204 0.3843 0.3843 2.1685 2.1685 3.9494 3.9494 4.3687 4.3687 5.2168 5.2168 5.7059 5.7059 6.3133 6.3133 8.0436 8.0436 11.9752 11.9752 12.5927 12.5927 k = 0.1173 0.3369 0.7060 ( 3880 PWs) bands (ev): -9.9973 -9.9973 -5.8673 -5.8673 -5.8066 -5.8066 -5.5407 -5.5407 -3.8180 -3.8180 -3.7021 -3.7021 -3.5838 -3.5838 -1.6142 -1.6142 0.0829 0.0829 0.2935 0.2935 2.1275 2.1275 3.7360 3.7360 4.5135 4.5135 5.3542 5.3542 5.8342 5.8342 6.2906 6.2906 8.1850 8.1850 11.8703 11.8703 12.5290 12.5290 k = 0.1108 0.3182 0.7060 ( 3872 PWs) bands (ev): -10.0462 -10.0462 -5.8534 -5.8534 -5.8033 -5.8033 -5.3988 -5.3988 -3.8091 -3.8091 -3.7015 -3.7015 -3.5846 -3.5846 -1.6687 -1.6687 0.0462 0.0462 0.2004 0.2004 2.0877 2.0877 3.5303 3.5303 4.6620 4.6620 5.4949 5.4949 5.9600 5.9600 6.2734 6.2734 8.3250 8.3250 11.7522 11.7522 12.4528 12.4528 k = 0.1043 0.2995 0.7060 ( 3866 PWs) bands (ev): -10.0924 -10.0924 -5.8459 -5.8459 -5.8009 -5.8009 -5.2480 -5.2480 -3.8003 -3.8003 -3.7005 -3.7005 -3.5854 -3.5854 -1.7218 -1.7218 0.0106 0.0106 0.1045 0.1045 2.0492 2.0492 3.3336 3.3336 4.8135 4.8135 5.6368 5.6368 6.0774 6.0774 6.2685 6.2685 8.4625 8.4625 11.6251 11.6251 12.3604 12.3604 k = 0.0978 0.2807 0.7060 ( 3874 PWs) bands (ev): -10.1358 -10.1358 -5.8413 -5.8413 -5.7990 -5.7990 -5.0928 -5.0928 -3.7916 -3.7916 -3.6989 -3.6989 -3.5860 -3.5860 -1.7731 -1.7731 -0.0259 -0.0259 0.0075 0.0075 2.0122 2.0122 3.1467 3.1467 4.9672 4.9672 5.7759 5.7759 6.1647 6.1647 6.3008 6.3008 8.5962 8.5962 11.4926 11.4926 12.2471 12.2471 k = 0.0913 0.2620 0.7060 ( 3870 PWs) bands (ev): -10.1764 -10.1764 -5.8379 -5.8379 -5.7973 -5.7973 -4.9352 -4.9352 -3.7833 -3.7833 -3.6967 -3.6967 -3.5865 -3.5865 -1.8225 -1.8225 -0.1026 -0.1026 -0.0515 -0.0515 1.9768 1.9768 2.9706 2.9706 5.1227 5.1227 5.9023 5.9023 6.2088 6.2088 6.3925 6.3925 8.7244 8.7244 11.3583 11.3583 12.1103 12.1103 k = 0.0848 0.2433 0.7060 ( 3874 PWs) bands (ev): -10.2142 -10.2142 -5.8355 -5.8355 -5.7958 -5.7958 -4.7761 -4.7761 -3.7754 -3.7754 -3.6935 -3.6935 -3.5868 -3.5868 -1.8697 -1.8697 -0.2092 -0.2092 -0.0833 -0.0833 1.9431 1.9431 2.8059 2.8059 5.2789 5.2789 5.9940 5.9940 6.2667 6.2667 6.5077 6.5077 8.8449 8.8449 11.2258 11.2258 11.9518 11.9518 k = 0.0782 0.2246 0.7060 ( 3870 PWs) bands (ev): -10.2493 -10.2493 -5.8336 -5.8336 -5.7944 -5.7944 -4.6165 -4.6165 -3.7682 -3.7682 -3.6891 -3.6891 -3.5868 -3.5868 -1.9146 -1.9146 -0.3214 -0.3214 -0.1120 -0.1120 1.9110 1.9110 2.6534 2.6534 5.4348 5.4348 6.0362 6.0362 6.3718 6.3718 6.6272 6.6272 8.9545 8.9545 11.0992 11.0992 11.7771 11.7771 k = 0.0717 0.2059 0.7060 ( 3878 PWs) bands (ev): -10.2815 -10.2815 -5.8322 -5.8322 -5.7931 -5.7931 -4.4576 -4.4576 -3.7617 -3.7617 -3.6833 -3.6833 -3.5862 -3.5862 -1.9570 -1.9570 -0.4385 -0.4385 -0.1385 -0.1385 1.8806 1.8806 2.5138 2.5138 5.5884 5.5884 6.0496 6.0496 6.5079 6.5079 6.7463 6.7463 9.0490 9.0490 10.9835 10.9835 11.5923 11.5923 k = 0.0652 0.1872 0.7060 ( 3886 PWs) bands (ev): -10.3110 -10.3110 -5.8310 -5.8310 -5.7917 -5.7917 -4.3007 -4.3007 -3.7560 -3.7560 -3.6755 -3.6755 -3.5848 -3.5848 -1.9965 -1.9965 -0.5601 -0.5601 -0.1629 -0.1629 1.8518 1.8518 2.3876 2.3876 5.7356 5.7356 6.0566 6.0566 6.6555 6.6555 6.8640 6.8640 9.1236 9.1236 10.8841 10.8841 11.4025 11.4025 k = 0.0587 0.1684 0.7060 ( 3890 PWs) bands (ev): -10.3376 -10.3376 -5.8301 -5.8301 -5.7905 -5.7905 -4.1486 -4.1486 -3.7508 -3.7508 -3.6653 -3.6653 -3.5816 -3.5816 -2.0331 -2.0331 -0.6857 -0.6857 -0.1851 -0.1851 1.8244 1.8244 2.2752 2.2752 5.8633 5.8633 6.0769 6.0769 6.8044 6.8044 6.9808 6.9808 9.1725 9.1725 10.8070 10.8070 11.2117 11.2117 k = 0.0522 0.1497 0.7060 ( 3890 PWs) bands (ev): -10.3615 -10.3615 -5.8294 -5.8294 -5.7893 -5.7893 -4.0065 -4.0065 -3.7455 -3.7455 -3.6516 -3.6516 -3.5737 -3.5737 -2.0665 -2.0665 -0.8146 -0.8146 -0.2050 -0.2050 1.7983 1.7983 2.1770 2.1770 5.9390 5.9390 6.1448 6.1448 6.9466 6.9466 7.0999 7.0999 9.1911 9.1911 10.7569 10.7569 11.0232 11.0232 k = 0.0456 0.1310 0.7060 ( 3898 PWs) bands (ev): -10.3825 -10.3825 -5.8289 -5.8289 -5.7882 -5.7882 -3.8862 -3.8862 -3.7389 -3.7389 -3.6346 -3.6346 -3.5520 -3.5520 -2.0966 -2.0966 -0.9454 -0.9454 -0.2227 -0.2227 1.7733 1.7733 2.0931 2.0931 5.9613 5.9613 6.2613 6.2613 7.0731 7.0731 7.2263 7.2263 9.1781 9.1781 10.7354 10.7354 10.8401 10.8401 k = 0.0391 0.1123 0.7060 ( 3898 PWs) bands (ev): -10.4008 -10.4008 -5.8285 -5.8285 -5.7872 -5.7872 -3.8071 -3.8071 -3.7280 -3.7280 -3.6202 -3.6202 -3.4959 -3.4959 -2.1231 -2.1231 -1.0762 -1.0762 -0.2380 -0.2380 1.7493 1.7493 2.0234 2.0234 5.9643 5.9643 6.3907 6.3907 7.1786 7.1786 7.3617 7.3617 9.1363 9.1363 10.6643 10.6643 10.7406 10.7406 k = 0.0326 0.0936 0.7060 ( 3902 PWs) bands (ev): -10.4162 -10.4162 -5.8282 -5.8282 -5.7863 -5.7863 -3.7733 -3.7733 -3.7120 -3.7120 -3.6126 -3.6126 -3.4005 -3.4005 -2.1457 -2.1457 -1.2045 -1.2045 -0.2511 -0.2511 1.7264 1.7264 1.9677 1.9677 5.9621 5.9621 6.5165 6.5165 7.2648 7.2648 7.5005 7.5005 9.0727 9.0727 10.5017 10.5017 10.7637 10.7637 k = 0.0261 0.0749 0.7060 ( 3898 PWs) bands (ev): -10.4289 -10.4289 -5.8280 -5.8280 -5.7856 -5.7856 -3.7617 -3.7617 -3.6977 -3.6977 -3.6090 -3.6090 -3.2887 -3.2887 -2.1645 -2.1645 -1.3261 -1.3261 -0.2618 -0.2618 1.7053 1.7053 1.9250 1.9250 5.9585 5.9585 6.6313 6.6313 7.3345 7.3345 7.6347 7.6347 8.9964 8.9964 10.3553 10.3553 10.7977 10.7977 k = 0.0196 0.0561 0.7060 ( 3902 PWs) bands (ev): -10.4387 -10.4387 -5.8278 -5.8278 -5.7850 -5.7850 -3.7570 -3.7570 -3.6879 -3.6879 -3.6071 -3.6071 -3.1806 -3.1806 -2.1791 -2.1791 -1.4357 -1.4357 -0.2701 -0.2701 1.6869 1.6869 1.8942 1.8942 5.9550 5.9550 6.7295 6.7295 7.3890 7.3890 7.7566 7.7566 8.9174 8.9174 10.2309 10.2309 10.8339 10.8339 k = 0.0130 0.0374 0.7060 ( 3906 PWs) bands (ev): -10.4457 -10.4457 -5.8277 -5.8277 -5.7846 -5.7846 -3.7547 -3.7547 -3.6816 -3.6816 -3.6062 -3.6062 -3.0901 -3.0901 -2.1896 -2.1896 -1.5253 -1.5253 -0.2761 -0.2761 1.6725 1.6725 1.8735 1.8735 5.9523 5.9523 6.8052 6.8052 7.4284 7.4284 7.8574 7.8574 8.8464 8.8464 10.1348 10.1348 10.8653 10.8653 k = 0.0065 0.0187 0.7060 ( 3898 PWs) bands (ev): -10.4499 -10.4499 -5.8277 -5.8277 -5.7843 -5.7843 -3.7536 -3.7536 -3.6781 -3.6781 -3.6057 -3.6057 -3.0290 -3.0290 -2.1958 -2.1958 -1.5854 -1.5854 -0.2797 -0.2797 1.6634 1.6634 1.8618 1.8618 5.9505 5.9505 6.8534 6.8534 7.4523 7.4523 7.9261 7.9261 8.7955 8.7955 10.0737 10.0737 10.8864 10.8864 k = 0.0000 0.0000 0.7060 ( 3898 PWs) bands (ev): -10.4513 -10.4513 -5.8276 -5.8276 -5.7843 -5.7843 -3.7533 -3.7533 -3.6770 -3.6770 -3.6055 -3.6055 -3.0073 -3.0073 -2.1978 -2.1978 -1.6067 -1.6067 -0.2809 -0.2809 1.6602 1.6602 1.8579 1.8579 5.9499 5.9499 6.8700 6.8700 7.4603 7.4603 7.9509 7.9509 8.7767 8.7767 10.0526 10.0526 10.8939 10.8939 k = 0.0000 0.0000 0.7060 ( 3898 PWs) bands (ev): -10.4513 -10.4513 -5.8276 -5.8276 -5.7843 -5.7843 -3.7533 -3.7533 -3.6770 -3.6770 -3.6055 -3.6055 -3.0073 -3.0073 -2.1978 -2.1978 -1.6067 -1.6067 -0.2809 -0.2809 1.6602 1.6602 1.8579 1.8579 5.9499 5.9499 6.8700 6.8700 7.4603 7.4603 7.9509 7.9509 8.7767 8.7767 10.0526 10.0526 10.8939 10.8939 k = 0.0000 0.0000 0.6858 ( 3898 PWs) bands (ev): -10.4514 -10.4514 -5.8277 -5.8277 -5.7843 -5.7843 -3.7535 -3.7535 -3.6770 -3.6770 -3.6056 -3.6056 -3.0074 -3.0074 -2.2007 -2.2007 -1.6067 -1.6067 -0.2753 -0.2753 1.6609 1.6609 1.8581 1.8581 5.9516 5.9516 6.8684 6.8684 7.4605 7.4605 7.9375 7.9375 8.7916 8.7916 10.0484 10.0484 10.8991 10.8991 k = 0.0000 0.0000 0.6656 ( 3894 PWs) bands (ev): -10.4517 -10.4517 -5.8277 -5.8277 -5.7844 -5.7844 -3.7542 -3.7542 -3.6768 -3.6768 -3.6059 -3.6059 -3.0078 -3.0078 -2.2092 -2.2092 -1.6068 -1.6068 -0.2587 -0.2587 1.6628 1.6628 1.8587 1.8587 5.9566 5.9566 6.8638 6.8638 7.4612 7.4612 7.9002 7.9002 8.8336 8.8336 10.0361 10.0361 10.9144 10.9144 k = 0.0000 0.0000 0.6454 ( 3898 PWs) bands (ev): -10.4522 -10.4522 -5.8278 -5.8278 -5.7845 -5.7845 -3.7554 -3.7554 -3.6766 -3.6766 -3.6065 -3.6065 -3.0084 -3.0084 -2.2231 -2.2231 -1.6069 -1.6069 -0.2315 -0.2315 1.6657 1.6657 1.8599 1.8599 5.9648 5.9648 6.8560 6.8560 7.4619 7.4619 7.8458 7.8458 8.8961 8.8961 10.0166 10.0166 10.9390 10.9390 k = 0.0000 0.0000 0.6253 ( 3906 PWs) bands (ev): -10.4529 -10.4529 -5.8279 -5.8279 -5.7847 -5.7847 -3.7571 -3.7571 -3.6762 -3.6762 -3.6072 -3.6072 -3.0092 -3.0092 -2.2417 -2.2417 -1.6071 -1.6071 -0.1943 -0.1943 1.6693 1.6693 1.8621 1.8621 5.9762 5.9762 6.8451 6.8451 7.4617 7.4617 7.7815 7.7815 8.9724 8.9724 9.9911 9.9911 10.9718 10.9718 k = 0.0000 0.0000 0.6051 ( 3904 PWs) bands (ev): -10.4537 -10.4537 -5.8280 -5.8280 -5.7850 -5.7850 -3.7593 -3.7593 -3.6757 -3.6757 -3.6081 -3.6081 -3.0103 -3.0103 -2.2644 -2.2644 -1.6074 -1.6074 -0.1476 -0.1476 1.6729 1.6729 1.8660 1.8660 5.9905 5.9905 6.8310 6.8310 7.4585 7.4585 7.7144 7.7144 9.0568 9.0568 9.9612 9.9612 11.0114 11.0114 k = 0.0000 0.0000 0.5849 ( 3896 PWs) bands (ev): -10.4547 -10.4547 -5.8282 -5.8282 -5.7853 -5.7853 -3.7620 -3.7620 -3.6751 -3.6751 -3.6091 -3.6091 -3.0116 -3.0116 -2.2904 -2.2904 -1.6078 -1.6078 -0.0924 -0.0924 1.6760 1.6760 1.8721 1.8721 6.0078 6.0078 6.8139 6.8139 7.4476 7.4476 7.6526 7.6526 9.1448 9.1448 9.9289 9.9289 11.0567 11.0567 k = 0.0000 0.0000 0.5648 ( 3902 PWs) bands (ev): -10.4559 -10.4559 -5.8285 -5.8285 -5.7856 -5.7856 -3.7654 -3.7654 -3.6743 -3.6743 -3.6103 -3.6103 -3.0132 -3.0132 -2.3191 -2.3191 -1.6083 -1.6083 -0.0294 -0.0294 1.6778 1.6778 1.8811 1.8811 6.0275 6.0275 6.7936 6.7936 7.4206 7.4206 7.6067 7.6067 9.2320 9.2320 9.8970 9.8970 11.1063 11.1063 k = 0.0000 0.0000 0.5446 ( 3898 PWs) bands (ev): -10.4572 -10.4572 -5.8288 -5.8288 -5.7859 -5.7859 -3.7693 -3.7693 -3.6734 -3.6734 -3.6115 -3.6115 -3.0149 -3.0149 -2.3497 -2.3497 -1.6089 -1.6089 0.0404 0.0404 1.6779 1.6779 1.8937 1.8937 6.0496 6.0496 6.7702 6.7702 7.3726 7.3726 7.5833 7.5833 9.3126 9.3126 9.8701 9.8701 11.1590 11.1590 k = 0.0000 0.0000 0.5244 ( 3892 PWs) bands (ev): -10.4587 -10.4587 -5.8291 -5.8291 -5.7863 -5.7863 -3.7739 -3.7739 -3.6724 -3.6724 -3.6128 -3.6128 -3.0168 -3.0168 -2.3816 -2.3816 -1.6096 -1.6096 0.1165 0.1165 1.6759 1.6759 1.9101 1.9101 6.0734 6.0734 6.7438 6.7438 7.3098 7.3098 7.5772 7.5772 9.3781 9.3781 9.8557 9.8557 11.2135 11.2135 k = 0.0000 0.0000 0.5043 ( 3888 PWs) bands (ev): -10.4603 -10.4603 -5.8296 -5.8296 -5.7866 -5.7866 -3.7790 -3.7790 -3.6712 -3.6712 -3.6142 -3.6142 -3.0190 -3.0190 -2.4141 -2.4141 -1.6104 -1.6104 0.1979 0.1979 1.6718 1.6718 1.9304 1.9304 6.0986 6.0986 6.7147 6.7147 7.2410 7.2410 7.5805 7.5805 9.4172 9.4172 9.8648 9.8648 11.2684 11.2684 k = 0.0000 0.0000 0.4841 ( 3892 PWs) bands (ev): -10.4621 -10.4621 -5.8301 -5.8301 -5.7870 -5.7870 -3.7848 -3.7848 -3.6698 -3.6698 -3.6155 -3.6155 -3.0212 -3.0212 -2.4468 -2.4468 -1.6113 -1.6113 0.2841 0.2841 1.6657 1.6657 1.9545 1.9545 6.1243 6.1243 6.6832 6.6832 7.1712 7.1712 7.5886 7.5886 9.4227 9.4227 9.9040 9.9040 11.3220 11.3220 k = 0.0000 0.0000 0.4639 ( 3892 PWs) bands (ev): -10.4639 -10.4639 -5.8307 -5.8307 -5.7873 -5.7873 -3.7913 -3.7913 -3.6684 -3.6684 -3.6169 -3.6169 -3.0236 -3.0236 -2.4793 -2.4793 -1.6123 -1.6123 0.3742 0.3742 1.6579 1.6579 1.9821 1.9821 6.1495 6.1495 6.6501 6.6501 7.1029 7.1029 7.5996 7.5996 9.3984 9.3984 9.9691 9.9691 11.3719 11.3719 k = 0.0000 0.0000 0.4437 ( 3888 PWs) bands (ev): -10.4658 -10.4658 -5.8314 -5.8314 -5.7876 -5.7876 -3.7982 -3.7982 -3.6668 -3.6668 -3.6181 -3.6181 -3.0261 -3.0261 -2.5112 -2.5112 -1.6133 -1.6133 0.4679 0.4679 1.6486 1.6486 2.0130 2.0130 6.1724 6.1724 6.6170 6.6170 7.0371 7.0371 7.6125 7.6125 9.3540 9.3540 10.0500 10.0500 11.4148 11.4148 k = 0.0000 0.0000 0.4236 ( 3888 PWs) bands (ev): -10.4678 -10.4678 -5.8323 -5.8323 -5.7879 -5.7879 -3.8057 -3.8057 -3.6651 -3.6651 -3.6193 -3.6193 -3.0288 -3.0288 -2.5422 -2.5422 -1.6144 -1.6144 0.5643 0.5643 1.6382 1.6382 2.0468 2.0468 6.1907 6.1907 6.5863 6.5863 6.9745 6.9745 7.6265 7.6265 9.2972 9.2972 10.1390 10.1390 11.4455 11.4455 k = 0.0000 0.0000 0.4034 ( 3888 PWs) bands (ev): -10.4699 -10.4699 -5.8331 -5.8331 -5.7881 -5.7881 -3.8137 -3.8137 -3.6634 -3.6634 -3.6205 -3.6205 -3.0315 -3.0315 -2.5721 -2.5721 -1.6155 -1.6155 0.6630 0.6630 1.6270 1.6270 2.0832 2.0832 6.2007 6.2007 6.5616 6.5616 6.9151 6.9151 7.6413 7.6413 9.2324 9.2324 10.2315 10.2315 11.4571 11.4571 k = 0.0000 0.0000 0.3832 ( 3900 PWs) bands (ev): -10.4720 -10.4720 -5.8341 -5.8341 -5.7883 -5.7883 -3.8222 -3.8222 -3.6616 -3.6616 -3.6215 -3.6215 -3.0342 -3.0342 -2.6006 -2.6006 -1.6167 -1.6167 0.7633 0.7633 1.6152 1.6152 2.1220 2.1220 6.1984 6.1984 6.5470 6.5470 6.8589 6.8589 7.6565 7.6565 9.1624 9.1624 10.3246 10.3246 11.4419 11.4419 k = 0.0000 0.0000 0.3631 ( 3902 PWs) bands (ev): -10.4741 -10.4741 -5.8352 -5.8352 -5.7884 -5.7884 -3.8309 -3.8309 -3.6599 -3.6599 -3.6223 -3.6223 -3.0370 -3.0370 -2.6278 -2.6278 -1.6179 -1.6179 0.8647 0.8647 1.6031 1.6031 2.1629 2.1629 6.1814 6.1814 6.5454 6.5454 6.8057 6.8057 7.6719 7.6719 9.0890 9.0890 10.4168 10.4168 11.3965 11.3965 k = 0.0000 0.0000 0.3429 ( 3902 PWs) bands (ev): -10.4762 -10.4762 -5.8363 -5.8363 -5.7885 -5.7885 -3.8399 -3.8399 -3.6581 -3.6581 -3.6231 -3.6231 -3.0398 -3.0398 -2.6534 -2.6534 -1.6191 -1.6191 0.9666 0.9666 1.5908 1.5908 2.2056 2.2056 6.1504 6.1504 6.5558 6.5558 6.7553 6.7553 7.6873 7.6873 9.0135 9.0135 10.5068 10.5068 11.3260 11.3260 k = 0.0000 0.0000 0.3227 ( 3898 PWs) bands (ev): -10.4783 -10.4783 -5.8375 -5.8375 -5.7886 -5.7886 -3.8491 -3.8491 -3.6564 -3.6564 -3.6236 -3.6236 -3.0426 -3.0426 -2.6774 -2.6774 -1.6203 -1.6203 1.0681 1.0681 1.5787 1.5787 2.2500 2.2500 6.1086 6.1086 6.5746 6.5746 6.7082 6.7082 7.7024 7.7024 8.9372 8.9372 10.5937 10.5937 11.2394 11.2394 k = 0.0000 0.0000 0.3026 ( 3890 PWs) bands (ev): -10.4804 -10.4804 -5.8388 -5.8388 -5.7886 -5.7886 -3.8584 -3.8584 -3.6548 -3.6548 -3.6240 -3.6240 -3.0454 -3.0454 -2.6998 -2.6998 -1.6216 -1.6216 1.1685 1.1685 1.5671 1.5671 2.2959 2.2959 6.0596 6.0596 6.5944 6.5944 6.6682 6.6682 7.7169 7.7169 8.8609 8.8609 10.6767 10.6767 11.1450 11.1450 k = 0.0000 0.0000 0.2824 ( 3882 PWs) bands (ev): -10.4825 -10.4825 -5.8400 -5.8400 -5.7885 -5.7885 -3.8676 -3.8676 -3.6533 -3.6533 -3.6242 -3.6242 -3.0481 -3.0481 -2.7205 -2.7205 -1.6227 -1.6227 1.2667 1.2667 1.5564 1.5564 2.3431 2.3431 6.0059 6.0059 6.5900 6.5900 6.6577 6.6577 7.7308 7.7308 8.7858 8.7858 10.7549 10.7549 11.0485 11.0485 k = 0.0000 0.0000 0.2622 ( 3882 PWs) bands (ev): -10.4845 -10.4845 -5.8413 -5.8413 -5.7884 -5.7884 -3.8767 -3.8767 -3.6520 -3.6520 -3.6242 -3.6242 -3.0508 -3.0508 -2.7396 -2.7396 -1.6239 -1.6239 1.3608 1.3608 1.5479 1.5479 2.3913 2.3913 5.9496 5.9496 6.5550 6.5550 6.6812 6.6812 7.7438 7.7438 8.7127 8.7127 10.8247 10.8247 10.9561 10.9561 k = 0.0000 0.0000 0.2420 ( 3872 PWs) bands (ev): -10.4864 -10.4864 -5.8426 -5.8426 -5.7883 -5.7883 -3.8856 -3.8856 -3.6508 -3.6508 -3.6241 -3.6241 -3.0533 -3.0533 -2.7571 -2.7571 -1.6250 -1.6250 1.4446 1.4446 1.5472 1.5472 2.4403 2.4403 5.8917 5.8917 6.5145 6.5145 6.7126 6.7126 7.7558 7.7558 8.6426 8.6426 10.8358 10.8358 10.9199 10.9199 k = 0.0000 0.0000 0.2219 ( 3884 PWs) bands (ev): -10.4882 -10.4882 -5.8439 -5.8439 -5.7882 -5.7882 -3.8941 -3.8941 -3.6498 -3.6498 -3.6237 -3.6237 -3.0558 -3.0558 -2.7729 -2.7729 -1.6261 -1.6261 1.4905 1.4905 1.5809 1.5809 2.4899 2.4899 5.8333 5.8333 6.4741 6.4741 6.7455 6.7455 7.7666 7.7666 8.5762 8.5762 10.7557 10.7557 10.9737 10.9737 k = 0.0000 0.0000 0.2017 ( 3880 PWs) bands (ev): -10.4899 -10.4899 -5.8451 -5.8451 -5.7881 -5.7881 -3.9023 -3.9023 -3.6490 -3.6490 -3.6233 -3.6233 -3.0581 -3.0581 -2.7872 -2.7872 -1.6271 -1.6271 1.4946 1.4946 1.6523 1.6523 2.5398 2.5398 5.7750 5.7750 6.4350 6.4350 6.7780 6.7780 7.7762 7.7762 8.5142 8.5142 10.6715 10.6715 11.0309 11.0309 k = 0.0000 0.0000 0.1815 ( 3880 PWs) bands (ev): -10.4915 -10.4915 -5.8463 -5.8463 -5.7880 -5.7880 -3.9099 -3.9099 -3.6484 -3.6484 -3.6227 -3.6227 -3.0602 -3.0602 -2.8000 -2.8000 -1.6280 -1.6280 1.4892 1.4892 1.7282 1.7282 2.5895 2.5895 5.7177 5.7177 6.3980 6.3980 6.8093 6.8093 7.7844 7.7844 8.4572 8.4572 10.5919 10.5919 11.0838 11.0838 k = 0.0000 0.0000 0.1614 ( 3882 PWs) bands (ev): -10.4929 -10.4929 -5.8474 -5.8474 -5.7878 -5.7878 -3.9170 -3.9170 -3.6478 -3.6478 -3.6220 -3.6220 -3.0622 -3.0622 -2.8113 -2.8113 -1.6289 -1.6289 1.4824 1.4824 1.7999 1.7999 2.6385 2.6385 5.6621 5.6621 6.3636 6.3636 6.8388 6.8388 7.7912 7.7912 8.4058 8.4058 10.5185 10.5185 11.1313 11.1313 k = 0.0000 0.0000 0.1412 ( 3882 PWs) bands (ev): -10.4942 -10.4942 -5.8484 -5.8484 -5.7877 -5.7877 -3.9234 -3.9234 -3.6475 -3.6475 -3.6213 -3.6213 -3.0640 -3.0640 -2.8211 -2.8211 -1.6297 -1.6297 1.4756 1.4756 1.8652 1.8652 2.6860 2.6860 5.6090 5.6090 6.3320 6.3320 6.8660 6.8660 7.7966 7.7966 8.3603 8.3603 10.4520 10.4520 11.1732 11.1732 k = 0.0000 0.0000 0.1210 ( 3886 PWs) bands (ev): -10.4954 -10.4954 -5.8493 -5.8493 -5.7876 -5.7876 -3.9291 -3.9291 -3.6472 -3.6472 -3.6206 -3.6206 -3.0656 -3.0656 -2.8296 -2.8296 -1.6303 -1.6303 1.4693 1.4693 1.9228 1.9228 2.7311 2.7311 5.5594 5.5594 6.3038 6.3038 6.8905 6.8905 7.8006 7.8006 8.3210 8.3210 10.3931 10.3931 11.2094 11.2094 k = 0.0000 0.0000 0.1009 ( 3889 PWs) bands (ev): -10.4964 -10.4964 -5.8501 -5.8501 -5.7874 -5.7874 -3.9340 -3.9340 -3.6470 -3.6470 -3.6200 -3.6200 -3.0669 -3.0669 -2.8366 -2.8366 -1.6309 -1.6309 1.4638 1.4638 1.9723 1.9723 2.7726 2.7726 5.5145 5.5145 6.2793 6.2793 6.9118 6.9118 7.8036 7.8036 8.2879 8.2879 10.3424 10.3424 11.2399 11.2399 k = 0.0000 0.0000 0.0807 ( 3893 PWs) bands (ev): -10.4972 -10.4972 -5.8508 -5.8508 -5.7873 -5.7873 -3.9381 -3.9381 -3.6468 -3.6468 -3.6194 -3.6194 -3.0680 -3.0680 -2.8424 -2.8424 -1.6314 -1.6314 1.4592 1.4592 2.0132 2.0132 2.8092 2.8092 5.4754 5.4754 6.2588 6.2588 6.9298 6.9298 7.8055 7.8055 8.2611 8.2611 10.3003 10.3003 11.2648 11.2648 k = 0.0000 0.0000 0.0605 ( 3893 PWs) bands (ev): -10.4979 -10.4979 -5.8513 -5.8513 -5.7873 -5.7873 -3.9413 -3.9413 -3.6467 -3.6467 -3.6189 -3.6189 -3.0689 -3.0689 -2.8468 -2.8468 -1.6318 -1.6318 1.4556 1.4556 2.0451 2.0451 2.8396 2.8396 5.4433 5.4433 6.2426 6.2426 6.9440 6.9440 7.8066 7.8066 8.2405 8.2405 10.2671 10.2671 11.2840 11.2840 k = 0.0000 0.0000 0.0403 ( 3889 PWs) bands (ev): -10.4983 -10.4983 -5.8517 -5.8517 -5.7872 -5.7872 -3.9437 -3.9437 -3.6466 -3.6466 -3.6186 -3.6186 -3.0696 -3.0696 -2.8500 -2.8500 -1.6321 -1.6321 1.4529 1.4529 2.0680 2.0680 2.8624 2.8624 5.4195 5.4195 6.2309 6.2309 6.9544 6.9544 7.8072 7.8072 8.2259 8.2259 10.2432 10.2432 11.2977 11.2977 k = 0.0000 0.0000 0.0202 ( 3893 PWs) bands (ev): -10.4986 -10.4986 -5.8520 -5.8520 -5.7872 -5.7872 -3.9451 -3.9451 -3.6466 -3.6466 -3.6184 -3.6184 -3.0699 -3.0699 -2.8519 -2.8519 -1.6323 -1.6323 1.4513 1.4513 2.0817 2.0817 2.8765 2.8765 5.4047 5.4047 6.2239 6.2239 6.9606 6.9606 7.8074 7.8074 8.2172 8.2172 10.2288 10.2288 11.3059 11.3059 k = 0.0000 0.0000 0.0000 ( 3895 PWs) bands (ev): -10.4987 -10.4987 -5.8520 -5.8520 -5.7872 -5.7872 -3.9455 -3.9455 -3.6466 -3.6466 -3.6183 -3.6183 -3.0701 -3.0701 -2.8525 -2.8525 -1.6323 -1.6323 1.4508 1.4508 2.0863 2.0863 2.8813 2.8813 5.3998 5.3998 6.2215 6.2215 6.9627 6.9627 7.8075 7.8075 8.2143 8.2143 10.2239 10.2239 11.3086 11.3086 k = 0.0000 0.0000 0.0000 ( 3895 PWs) bands (ev): -10.4987 -10.4987 -5.8520 -5.8520 -5.7872 -5.7872 -3.9455 -3.9455 -3.6466 -3.6466 -3.6183 -3.6183 -3.0701 -3.0701 -2.8525 -2.8525 -1.6323 -1.6323 1.4508 1.4508 2.0863 2.0863 2.8813 2.8813 5.3998 5.3998 6.2215 6.2215 6.9627 6.9627 7.8075 7.8075 8.2143 8.2143 10.2239 10.2239 11.3086 11.3086 k =-0.0185 0.0065 0.0000 ( 3895 PWs) bands (ev): -10.4985 -10.4985 -5.8524 -5.8524 -5.7872 -5.7872 -3.9459 -3.9459 -3.6466 -3.6466 -3.6183 -3.6183 -3.0917 -3.0917 -2.8302 -2.8302 -1.6326 -1.6326 1.4533 1.4533 2.0870 2.0870 2.8830 2.8830 5.3986 5.3986 6.2215 6.2215 6.9581 6.9581 7.8071 7.8071 8.2096 8.2096 10.2281 10.2281 11.3086 11.3086 k =-0.0370 0.0129 0.0000 ( 3893 PWs) bands (ev): -10.4978 -10.4978 -5.8535 -5.8535 -5.7872 -5.7872 -3.9468 -3.9468 -3.6468 -3.6468 -3.6181 -3.6181 -3.1409 -3.1409 -2.7791 -2.7791 -1.6335 -1.6335 1.4606 1.4606 2.0889 2.0889 2.8879 2.8879 5.3952 5.3952 6.2215 6.2215 6.9444 6.9444 7.8058 7.8058 8.1956 8.1956 10.2405 10.2405 11.3086 11.3086 k =-0.0556 0.0194 0.0000 ( 3889 PWs) bands (ev): -10.4967 -10.4967 -5.8554 -5.8554 -5.7872 -5.7872 -3.9485 -3.9485 -3.6470 -3.6470 -3.6179 -3.6179 -3.2000 -3.2000 -2.7166 -2.7166 -1.6350 -1.6350 1.4728 1.4728 2.0920 2.0920 2.8961 2.8961 5.3896 5.3896 6.2217 6.2217 6.9219 6.9219 7.8032 7.8032 8.1725 8.1725 10.2604 10.2604 11.3086 11.3086 k =-0.0741 0.0258 0.0000 ( 3885 PWs) bands (ev): -10.4952 -10.4952 -5.8581 -5.8581 -5.7872 -5.7872 -3.9509 -3.9509 -3.6474 -3.6474 -3.6175 -3.6175 -3.2619 -3.2619 -2.6500 -2.6500 -1.6371 -1.6371 1.4897 1.4897 2.0964 2.0964 2.9078 2.9078 5.3817 5.3817 6.2219 6.2219 6.8913 6.8913 7.7986 7.7986 8.1411 8.1411 10.2867 10.2867 11.3087 11.3087 k =-0.0926 0.0323 0.0000 ( 3871 PWs) bands (ev): -10.4932 -10.4932 -5.8614 -5.8614 -5.7872 -5.7872 -3.9542 -3.9542 -3.6479 -3.6479 -3.6171 -3.6171 -3.3236 -3.3236 -2.5821 -2.5821 -1.6397 -1.6397 1.5111 1.5111 2.1020 2.1020 2.9230 2.9230 5.3715 5.3715 6.2225 6.2225 6.8533 6.8533 7.7905 7.7905 8.1026 8.1026 10.3181 10.3181 11.3091 11.3091 k =-0.1111 0.0387 0.0000 ( 3876 PWs) bands (ev): -10.4909 -10.4909 -5.8654 -5.8654 -5.7873 -5.7873 -3.9585 -3.9585 -3.6486 -3.6486 -3.6165 -3.6165 -3.3836 -3.3836 -2.5142 -2.5142 -1.6429 -1.6429 1.5369 1.5369 2.1087 2.1087 2.9419 2.9419 5.3592 5.3592 6.2233 6.2233 6.8086 6.8086 7.7764 7.7764 8.0597 8.0597 10.3532 10.3532 11.3098 11.3098 k =-0.1296 0.0452 0.0000 ( 3880 PWs) bands (ev): -10.4883 -10.4883 -5.8702 -5.8702 -5.7873 -5.7873 -3.9639 -3.9639 -3.6498 -3.6498 -3.6160 -3.6160 -3.4409 -3.4409 -2.4471 -2.4471 -1.6465 -1.6465 1.5667 1.5667 2.1165 2.1165 2.9647 2.9647 5.3448 5.3448 6.2245 6.2245 6.7583 6.7583 7.7524 7.7524 8.0166 8.0166 10.3902 10.3902 11.3107 11.3107 k =-0.1481 0.0516 0.0000 ( 3878 PWs) bands (ev): -10.4853 -10.4853 -5.8755 -5.8755 -5.7873 -5.7873 -3.9707 -3.9707 -3.6516 -3.6516 -3.6153 -3.6153 -3.4944 -3.4944 -2.3814 -2.3814 -1.6505 -1.6505 1.6002 1.6002 2.1254 2.1254 2.9916 2.9916 5.3284 5.3284 6.2261 6.2261 6.7031 6.7031 7.7131 7.7131 7.9788 7.9788 10.4278 10.4278 11.3117 11.3117 k =-0.1667 0.0581 0.0000 ( 3874 PWs) bands (ev): -10.4820 -10.4820 -5.8814 -5.8814 -5.7874 -5.7874 -3.9792 -3.9792 -3.6550 -3.6550 -3.6147 -3.6147 -3.5426 -3.5426 -2.3176 -2.3176 -1.6549 -1.6549 1.6369 1.6369 2.1351 2.1351 3.0228 3.0228 5.3101 5.3101 6.2280 6.2280 6.6438 6.6438 7.6550 7.6550 7.9507 7.9507 10.4647 10.4647 11.3126 11.3126 k =-0.1852 0.0645 0.0000 ( 3876 PWs) bands (ev): -10.4785 -10.4785 -5.8879 -5.8879 -5.7874 -5.7874 -3.9895 -3.9895 -3.6618 -3.6618 -3.6145 -3.6145 -3.5827 -3.5827 -2.2560 -2.2560 -1.6596 -1.6596 1.6764 1.6764 2.1457 2.1457 3.0588 3.0588 5.2902 5.2902 6.2301 6.2301 6.5812 6.5812 7.5787 7.5787 7.9323 7.9323 10.5001 10.5001 11.3130 11.3130 k =-0.2037 0.0710 0.0000 ( 3876 PWs) bands (ev): -10.4748 -10.4748 -5.8948 -5.8948 -5.7874 -5.7874 -4.0021 -4.0021 -3.6763 -3.6763 -3.6176 -3.6176 -3.6068 -3.6068 -2.1969 -2.1969 -1.6645 -1.6645 1.7181 1.7181 2.1571 2.1571 3.0997 3.0997 5.2689 5.2689 6.2319 6.2319 6.5161 6.5161 7.4882 7.4882 7.9211 7.9211 10.5337 10.5337 11.3127 11.3127 k =-0.2222 0.0774 0.0000 ( 3872 PWs) bands (ev): -10.4709 -10.4709 -5.9021 -5.9021 -5.7874 -5.7874 -4.0171 -4.0171 -3.6995 -3.6995 -3.6277 -3.6277 -3.6100 -3.6100 -2.1407 -2.1407 -1.6696 -1.6696 1.7612 1.7612 2.1691 2.1691 3.1461 3.1461 5.2464 5.2464 6.2325 6.2325 6.4495 6.4495 7.3874 7.3874 7.9143 7.9143 10.5658 10.5658 11.3117 11.3117 k =-0.2407 0.0839 0.0000 ( 3870 PWs) bands (ev): -10.4670 -10.4670 -5.9096 -5.9096 -5.7874 -5.7874 -4.0345 -4.0345 -3.7254 -3.7254 -3.6334 -3.6334 -3.6096 -3.6096 -2.0875 -2.0875 -1.6748 -1.6748 1.8052 1.8052 2.1816 2.1816 3.1982 3.1982 5.2231 5.2231 6.2296 6.2296 6.3834 6.3834 7.2800 7.2800 7.9102 7.9102 10.5967 10.5967 11.3099 11.3099 k =-0.2593 0.0903 0.0000 ( 3870 PWs) bands (ev): -10.4630 -10.4630 -5.9174 -5.9174 -5.7874 -5.7874 -4.0541 -4.0541 -3.7491 -3.7491 -3.6363 -3.6363 -3.6088 -3.6088 -2.0374 -2.0374 -1.6801 -1.6801 1.8492 1.8492 2.1946 2.1946 3.2564 3.2564 5.1993 5.1993 6.2157 6.2157 6.3250 6.3250 7.1692 7.1692 7.9078 7.9078 10.6270 10.6270 11.3076 11.3076 k =-0.2778 0.0968 0.0000 ( 3868 PWs) bands (ev): -10.4590 -10.4590 -5.9253 -5.9253 -5.7874 -5.7874 -4.0753 -4.0753 -3.7692 -3.7692 -3.6380 -3.6380 -3.6079 -3.6079 -1.9908 -1.9908 -1.6853 -1.6853 1.8925 1.8925 2.2078 2.2078 3.3210 3.3210 5.1754 5.1754 6.1739 6.1739 6.2898 6.2898 7.0582 7.0582 7.9063 7.9063 10.6573 10.6573 11.3048 11.3048 k =-0.2963 0.1032 0.0000 ( 3866 PWs) bands (ev): -10.4551 -10.4551 -5.9331 -5.9331 -5.7874 -5.7874 -4.0974 -4.0974 -3.7858 -3.7858 -3.6392 -3.6392 -3.6069 -3.6069 -1.9477 -1.9477 -1.6903 -1.6903 1.9343 1.9343 2.2212 2.2212 3.3922 3.3922 5.1516 5.1516 6.1041 6.1041 6.2767 6.2767 6.9504 6.9504 7.9055 7.9055 10.6880 10.6880 11.3018 11.3018 k =-0.3148 0.1097 0.0000 ( 3866 PWs) bands (ev): -10.4513 -10.4513 -5.9408 -5.9408 -5.7873 -5.7873 -4.1198 -4.1198 -3.7991 -3.7991 -3.6399 -3.6399 -3.6059 -3.6059 -1.9082 -1.9082 -1.6952 -1.6952 1.9739 1.9739 2.2346 2.2346 3.4701 3.4701 5.1285 5.1285 6.0196 6.0196 6.2707 6.2707 6.8492 6.8492 7.9051 7.9051 10.7195 10.7195 11.2986 11.2986 k =-0.3333 0.1161 0.0000 ( 3866 PWs) bands (ev): -10.4477 -10.4477 -5.9482 -5.9482 -5.7873 -5.7873 -4.1416 -4.1416 -3.8098 -3.8098 -3.6405 -3.6405 -3.6050 -3.6050 -1.8724 -1.8724 -1.6999 -1.6999 2.0107 2.0107 2.2478 2.2478 3.5547 3.5547 5.1063 5.1063 5.9254 5.9254 6.2650 6.2650 6.7580 6.7580 7.9049 7.9049 10.7518 10.7518 11.2953 11.2953 k =-0.3519 0.1226 0.0000 ( 3872 PWs) bands (ev): -10.4443 -10.4443 -5.9553 -5.9553 -5.7873 -5.7873 -4.1622 -4.1622 -3.8183 -3.8183 -3.6410 -3.6410 -3.6041 -3.6041 -1.8403 -1.8403 -1.7042 -1.7042 2.0442 2.0442 2.2608 2.2608 3.6456 3.6456 5.0853 5.0853 5.8225 5.8225 6.2571 6.2571 6.6798 6.6798 7.9048 7.9048 10.7849 10.7849 11.2919 11.2919 k =-0.3704 0.1290 0.0000 ( 3880 PWs) bands (ev): -10.4411 -10.4411 -5.9618 -5.9618 -5.7873 -5.7873 -4.1813 -4.1813 -3.8251 -3.8251 -3.6413 -3.6413 -3.6033 -3.6033 -1.8120 -1.8120 -1.7080 -1.7080 2.0740 2.0740 2.2731 2.2731 3.7423 3.7423 5.0660 5.0660 5.7120 5.7120 6.2457 6.2457 6.6165 6.6165 7.9047 7.9047 10.8183 10.8183 11.2886 11.2886 k =-0.3889 0.1355 0.0000 ( 3892 PWs) bands (ev): -10.4383 -10.4383 -5.9678 -5.9678 -5.7873 -5.7873 -4.1983 -4.1983 -3.8304 -3.8304 -3.6416 -3.6416 -3.6025 -3.6025 -1.7877 -1.7877 -1.7114 -1.7114 2.0998 2.0998 2.2847 2.2847 3.8438 3.8438 5.0486 5.0486 5.5952 5.5952 6.2308 6.2308 6.5685 6.5685 7.9048 7.9048 10.8515 10.8515 11.2853 11.2853 k =-0.4074 0.1419 0.0000 ( 3886 PWs) bands (ev): -10.4359 -10.4359 -5.9730 -5.9730 -5.7873 -5.7873 -4.2131 -4.2131 -3.8346 -3.8346 -3.6418 -3.6418 -3.6019 -3.6019 -1.7673 -1.7673 -1.7141 -1.7141 2.1215 2.1215 2.2952 2.2952 3.9488 3.9488 5.0334 5.0334 5.4748 5.4748 6.2133 6.2133 6.5344 6.5344 7.9048 7.9048 10.8836 10.8836 11.2819 11.2819 k =-0.4259 0.1484 0.0000 ( 3888 PWs) bands (ev): -10.4338 -10.4338 -5.9774 -5.9774 -5.7873 -5.7873 -4.2254 -4.2254 -3.8378 -3.8378 -3.6420 -3.6420 -3.6013 -3.6013 -1.7510 -1.7510 -1.7159 -1.7159 2.1391 2.1391 2.3044 2.3044 4.0549 4.0549 5.0206 5.0206 5.3541 5.3541 6.1953 6.1953 6.5116 6.5116 7.9048 7.9048 10.9133 10.9133 11.2787 11.2787 k =-0.4444 0.1548 0.0000 ( 3896 PWs) bands (ev): -10.4322 -10.4322 -5.9809 -5.9809 -5.7873 -5.7873 -4.2351 -4.2351 -3.8402 -3.8402 -3.6421 -3.6421 -3.6009 -3.6009 -1.7394 -1.7394 -1.7163 -1.7163 2.1526 2.1526 2.3119 2.3119 4.1579 4.1579 5.0107 5.0107 5.2382 5.2382 6.1790 6.1790 6.4969 6.4969 7.9048 7.9048 10.9393 10.9393 11.2756 11.2756 k =-0.4630 0.1613 0.0000 ( 3888 PWs) bands (ev): -10.4310 -10.4310 -5.9834 -5.9834 -5.7873 -5.7873 -4.2420 -4.2420 -3.8418 -3.8418 -3.6422 -3.6422 -3.6006 -3.6006 -1.7329 -1.7329 -1.7149 -1.7149 2.1622 2.1622 2.3175 2.3175 4.2508 4.2508 5.0039 5.0039 5.1352 5.1352 6.1663 6.1663 6.4881 6.4881 7.9048 7.9048 10.9597 10.9597 11.2730 11.2730 k =-0.4815 0.1677 0.0000 ( 3878 PWs) bands (ev): -10.4303 -10.4303 -5.9850 -5.9850 -5.7872 -5.7872 -4.2462 -4.2462 -3.8427 -3.8427 -3.6423 -3.6423 -3.6003 -3.6003 -1.7303 -1.7303 -1.7127 -1.7127 2.1679 2.1679 2.3209 2.3209 4.3200 4.3200 5.0012 5.0012 5.0581 5.0581 6.1582 6.1582 6.4835 6.4835 7.9048 7.9048 10.9728 10.9728 11.2712 11.2712 k =-0.5000 0.1742 0.0000 ( 3880 PWs) bands (ev): -10.4301 -10.4301 -5.9855 -5.9855 -5.7872 -5.7872 -4.2476 -4.2476 -3.8430 -3.8430 -3.6423 -3.6423 -3.6003 -3.6003 -1.7297 -1.7297 -1.7117 -1.7117 2.1698 2.1698 2.3221 2.3221 4.3467 4.3467 5.0032 5.0032 5.0258 5.0258 6.1554 6.1554 6.4820 6.4820 7.9048 7.9048 10.9774 10.9774 11.2705 11.2705 k =-0.5000 0.1742 0.0000 ( 3880 PWs) bands (ev): -10.4301 -10.4301 -5.9855 -5.9855 -5.7872 -5.7872 -4.2476 -4.2476 -3.8430 -3.8430 -3.6423 -3.6423 -3.6003 -3.6003 -1.7297 -1.7297 -1.7117 -1.7117 2.1698 2.1698 2.3221 2.3221 4.3467 4.3467 5.0032 5.0032 5.0258 5.0258 6.1554 6.1554 6.4820 6.4820 7.9048 7.9048 10.9774 10.9774 11.2705 11.2705 k =-0.4935 0.1927-0.0000 ( 3874 PWs) bands (ev): -10.4287 -10.4287 -5.9858 -5.9858 -5.7873 -5.7873 -4.2509 -4.2509 -3.8424 -3.8424 -3.6423 -3.6423 -3.6003 -3.6003 -1.8847 -1.8847 -1.5520 -1.5520 2.1708 2.1708 2.3232 2.3232 4.3463 4.3463 4.9827 4.9827 5.0402 5.0402 6.1567 6.1567 6.4851 6.4851 7.8993 7.8993 10.9612 10.9612 11.2941 11.2941 k =-0.4871 0.2113-0.0000 ( 3870 PWs) bands (ev): -10.4245 -10.4245 -5.9866 -5.9866 -5.7873 -5.7873 -4.2609 -4.2609 -3.8405 -3.8405 -3.6423 -3.6423 -3.6005 -3.6005 -2.0425 -2.0425 -1.3802 -1.3802 2.1739 2.1739 2.3266 2.3266 4.3450 4.3450 4.9466 4.9466 5.0588 5.0588 6.1593 6.1593 6.4951 6.4951 7.8827 7.8827 10.9235 10.9235 11.3539 11.3539 k =-0.4806 0.2298-0.0000 ( 3878 PWs) bands (ev): -10.4175 -10.4175 -5.9879 -5.9879 -5.7874 -5.7874 -4.2780 -4.2780 -3.8374 -3.8374 -3.6422 -3.6422 -3.6008 -3.6008 -2.1933 -2.1933 -1.2057 -1.2057 2.1791 2.1791 2.3323 2.3323 4.3426 4.3426 4.9015 4.9015 5.0769 5.0769 6.1597 6.1597 6.5139 6.5139 7.8554 7.8554 10.8792 10.8792 11.4345 11.4345 k =-0.4742 0.2484-0.0000 ( 3876 PWs) bands (ev): -10.4077 -10.4077 -5.9899 -5.9899 -5.7876 -5.7876 -4.3027 -4.3027 -3.8331 -3.8331 -3.6422 -3.6422 -3.6012 -3.6012 -2.3356 -2.3356 -1.0298 -1.0298 2.1864 2.1864 2.3402 2.3402 4.3388 4.3388 4.8489 4.8489 5.0958 5.0958 6.1543 6.1543 6.5434 6.5434 7.8178 7.8178 10.8360 10.8360 11.5278 11.5278 k =-0.4677 0.2669-0.0000 ( 3880 PWs) bands (ev): -10.3952 -10.3952 -5.9925 -5.9925 -5.7878 -5.7878 -4.3356 -4.3356 -3.8278 -3.8278 -3.6421 -3.6421 -3.6016 -3.6016 -2.4681 -2.4681 -0.8536 -0.8536 2.1959 2.1959 2.3505 2.3505 4.3334 4.3334 4.7911 4.7911 5.1165 5.1165 6.1411 6.1411 6.5839 6.5839 7.7703 7.7703 10.7969 10.7969 11.6299 11.6299 k =-0.4612 0.2855-0.0000 ( 3874 PWs) bands (ev): -10.3798 -10.3798 -5.9960 -5.9960 -5.7880 -5.7880 -4.3775 -4.3775 -3.8216 -3.8216 -3.6421 -3.6421 -3.6021 -3.6021 -2.5892 -2.5892 -0.6783 -0.6783 2.2078 2.2078 2.3631 2.3631 4.3258 4.3258 4.7304 4.7304 5.1398 5.1398 6.1199 6.1199 6.6341 6.6341 7.7137 7.7137 10.7633 10.7633 11.7383 11.7383 k =-0.4548 0.3040-0.0000 ( 3866 PWs) bands (ev): -10.3617 -10.3617 -6.0003 -6.0003 -5.7883 -5.7883 -4.4289 -4.4289 -3.8146 -3.8146 -3.6421 -3.6421 -3.6026 -3.6026 -2.6977 -2.6977 -0.5052 -0.5052 2.2221 2.2221 2.3782 2.3782 4.3155 4.3155 4.6693 4.6693 5.1659 5.1659 6.0921 6.0921 6.6918 6.6918 7.6488 7.6488 10.7354 10.7354 11.8508 11.8508 k =-0.4483 0.3225-0.0000 ( 3874 PWs) bands (ev): -10.3407 -10.3407 -6.0058 -6.0058 -5.7886 -5.7886 -4.4904 -4.4904 -3.8072 -3.8072 -3.6421 -3.6421 -3.6031 -3.6031 -2.7924 -2.7924 -0.3358 -0.3358 2.2394 2.2394 2.3957 2.3957 4.3016 4.3016 4.6105 4.6105 5.1951 5.1951 6.0593 6.0593 6.7550 6.7550 7.5763 7.5763 10.7135 10.7135 11.9641 11.9641 k =-0.4419 0.3411-0.0000 ( 3874 PWs) bands (ev): -10.3170 -10.3170 -6.0126 -6.0126 -5.7890 -5.7890 -4.5617 -4.5617 -3.7996 -3.7996 -3.6422 -3.6422 -3.6034 -3.6034 -2.8727 -2.8727 -0.1720 -0.1720 2.2598 2.2598 2.4158 2.4158 4.2836 4.2836 4.5562 4.5562 5.2273 5.2273 6.0236 6.0236 6.8217 6.8217 7.4971 7.4971 10.6973 10.6973 12.0706 12.0706 k =-0.4354 0.3596-0.0000 ( 3872 PWs) bands (ev): -10.2905 -10.2905 -6.0211 -6.0211 -5.7894 -5.7894 -4.6423 -4.6423 -3.7920 -3.7920 -3.6425 -3.6425 -3.6037 -3.6037 -2.9382 -2.9382 -0.0158 -0.0158 2.2842 2.2842 2.4384 2.4384 4.2611 4.2611 4.5084 4.5084 5.2625 5.2625 5.9868 5.9868 6.8905 6.8905 7.4125 7.4125 10.6866 10.6866 12.1430 12.1430 k =-0.4289 0.3782-0.0000 ( 3884 PWs) bands (ev): -10.2612 -10.2612 -6.0317 -6.0317 -5.7898 -5.7898 -4.7310 -4.7310 -3.7846 -3.7846 -3.6429 -3.6429 -3.6039 -3.6039 -2.9893 -2.9893 0.1306 0.1306 2.3131 2.3131 2.4637 2.4637 4.2342 4.2342 4.4686 4.4686 5.3007 5.3007 5.9504 5.9504 6.9597 6.9597 7.3239 7.3239 10.6810 10.6810 12.1343 12.1343 k =-0.4225 0.3967-0.0000 ( 3896 PWs) bands (ev): -10.2292 -10.2292 -6.0449 -6.0449 -5.7903 -5.7903 -4.8262 -4.8262 -3.7777 -3.7777 -3.6435 -3.6435 -3.6039 -3.6039 -3.0267 -3.0267 0.2646 0.2646 2.3476 2.3476 2.4916 2.4916 4.2035 4.2035 4.4376 4.4376 5.3416 5.3416 5.9162 5.9162 7.0257 7.0257 7.2354 7.2354 10.6801 10.6801 12.0612 12.0612 k =-0.4160 0.4153-0.0000 ( 3892 PWs) bands (ev): -10.1943 -10.1943 -6.0616 -6.0616 -5.7908 -5.7908 -4.9258 -4.9258 -3.7714 -3.7714 -3.6444 -3.6444 -3.6039 -3.6039 -3.0513 -3.0513 0.3834 0.3834 2.3884 2.3884 2.5221 2.5221 4.1694 4.1694 4.4167 4.4167 5.3849 5.3849 5.8856 5.8856 7.0632 7.0632 7.1725 7.1725 10.6832 10.6832 11.9573 11.9573 k =-0.4095 0.4338-0.0000 ( 3894 PWs) bands (ev): -10.1567 -10.1567 -6.0826 -6.0826 -5.7914 -5.7914 -5.0273 -5.0273 -3.7659 -3.7659 -3.6455 -3.6455 -3.6037 -3.6037 -3.0642 -3.0642 0.4847 0.4847 2.4363 2.4363 2.5554 2.5554 4.1317 4.1317 4.4078 4.4078 5.4302 5.4302 5.8597 5.8597 7.0036 7.0036 7.2045 7.2045 10.6895 10.6895 11.8382 11.8382 k =-0.4031 0.4524-0.0000 ( 3894 PWs) bands (ev): -10.1162 -10.1162 -6.1093 -6.1093 -5.7919 -5.7919 -5.1283 -5.1283 -3.7611 -3.7611 -3.6469 -3.6469 -3.6035 -3.6035 -3.0666 -3.0666 0.5663 0.5663 2.4916 2.4916 2.5914 2.5914 4.0891 4.0891 4.4139 4.4139 5.4769 5.4769 5.8395 5.8395 6.9086 6.9086 7.2711 7.2711 10.6982 10.6982 11.7116 11.7116 k =-0.3966 0.4709-0.0000 ( 3888 PWs) bands (ev): -10.0730 -10.0730 -6.1433 -6.1433 -5.7925 -5.7925 -5.2259 -5.2259 -3.7571 -3.7571 -3.6484 -3.6484 -3.6033 -3.6033 -3.0598 -3.0598 0.6271 0.6271 2.5540 2.5540 2.6301 2.6301 4.0403 4.0403 4.4382 4.4382 5.5243 5.5243 5.8257 5.8257 6.8084 6.8084 7.3427 7.3427 10.7075 10.7075 11.5826 11.5826 k =-0.3902 0.4895-0.0000 ( 3884 PWs) bands (ev): -10.0270 -10.0270 -6.1862 -6.1862 -5.7932 -5.7932 -5.3172 -5.3172 -3.7538 -3.7538 -3.6502 -3.6502 -3.6030 -3.6030 -3.0446 -3.0446 0.6666 0.6666 2.6222 2.6222 2.6715 2.6715 3.9845 3.9845 4.4832 4.4832 5.5713 5.5713 5.8184 5.8184 6.7085 6.7085 7.4160 7.4160 10.7152 10.7152 11.4554 11.4554 k =-0.3837 0.5080-0.0000 ( 3892 PWs) bands (ev): -9.9783 -9.9783 -6.2398 -6.2398 -5.7938 -5.7938 -5.3999 -5.3999 -3.7511 -3.7511 -3.6521 -3.6521 -3.6028 -3.6028 -3.0223 -3.0223 0.6858 0.6858 2.6943 2.6943 2.7160 2.7160 3.9214 3.9214 4.5503 4.5503 5.6166 5.6166 5.8171 5.8171 6.6120 6.6120 7.4901 7.4901 10.7168 10.7168 11.3353 11.3353 k =-0.3772 0.5266-0.0000 ( 3896 PWs) bands (ev): -9.9267 -9.9267 -6.3051 -6.3051 -5.7945 -5.7945 -5.4719 -5.4719 -3.7489 -3.7489 -3.6540 -3.6540 -3.6026 -3.6026 -2.9935 -2.9935 0.6861 0.6861 2.7598 2.7598 2.7723 2.7723 3.8517 3.8517 4.6402 4.6402 5.6585 5.6585 5.8199 5.8199 6.5229 6.5229 7.5649 7.5649 10.7052 10.7052 11.2300 11.2300 k =-0.3708 0.5451-0.0000 ( 3900 PWs) bands (ev): -9.8724 -9.8724 -6.3824 -6.3824 -5.7952 -5.7952 -5.5324 -5.5324 -3.7472 -3.7472 -3.6560 -3.6560 -3.6023 -3.6023 -2.9590 -2.9590 0.6695 0.6695 2.8103 2.8103 2.8471 2.8471 3.7758 3.7758 4.7524 4.7524 5.6950 5.6950 5.8232 5.8232 6.4470 6.4470 7.6404 7.6404 10.6699 10.6699 11.1500 11.1500 k =-0.3643 0.5637-0.0000 ( 3896 PWs) bands (ev): -9.8154 -9.8154 -6.4709 -6.4709 -5.7960 -5.7960 -5.5818 -5.5818 -3.7459 -3.7459 -3.6580 -3.6580 -3.6021 -3.6021 -2.9196 -2.9196 0.6385 0.6385 2.8621 2.8621 2.9227 2.9227 3.6945 3.6945 4.8858 4.8858 5.7220 5.7220 5.8233 5.8233 6.3923 6.3923 7.7165 7.7165 10.6031 10.6031 11.1026 11.1026 k =-0.3579 0.5822-0.0000 ( 3900 PWs) bands (ev): -9.7555 -9.7555 -6.5688 -6.5688 -5.7967 -5.7967 -5.6214 -5.6214 -3.7450 -3.7450 -3.6600 -3.6600 -3.6018 -3.6018 -2.8757 -2.8757 0.5952 0.5952 2.9163 2.9163 2.9974 2.9974 3.6088 3.6088 5.0384 5.0384 5.7259 5.7259 5.8261 5.8261 6.3665 6.3665 7.7933 7.7933 10.5079 10.5079 11.0834 11.0834 k =-0.3514 0.6008-0.0000 ( 3900 PWs) bands (ev): -9.6929 -9.6929 -6.6741 -6.6741 -5.7975 -5.7975 -5.6528 -5.6528 -3.7443 -3.7443 -3.6618 -3.6618 -3.6015 -3.6015 -2.8278 -2.8278 0.5419 0.5419 2.9728 2.9728 3.0709 3.0709 3.5195 3.5195 5.2070 5.2070 5.6920 5.6920 5.8451 5.8451 6.3718 6.3718 7.8710 7.8710 10.3943 10.3943 11.0799 11.0799 k =-0.3449 0.6193-0.0000 ( 3896 PWs) bands (ev): -9.6275 -9.6275 -6.7850 -6.7850 -5.7982 -5.7982 -5.6776 -5.6776 -3.7438 -3.7438 -3.6636 -3.6636 -3.6012 -3.6012 -2.7764 -2.7764 0.4804 0.4804 3.0312 3.0312 3.1432 3.1432 3.4279 3.4279 5.3825 5.3825 5.6362 5.6362 5.8759 5.8759 6.4034 6.4034 7.9495 7.9495 10.2706 10.2706 11.0772 11.0772 k =-0.3385 0.6379-0.0000 ( 3888 PWs) bands (ev): -9.5594 -9.5594 -6.8997 -6.8997 -5.7989 -5.7989 -5.6974 -5.6974 -3.7435 -3.7435 -3.6652 -3.6652 -3.6008 -3.6008 -2.7218 -2.7218 0.4126 0.4126 3.0904 3.0904 3.2131 3.2131 3.3373 3.3373 5.4810 5.4810 5.6531 5.6531 5.9127 5.9127 6.4538 6.4538 8.0290 8.0290 10.1420 10.1420 11.0534 11.0534 k =-0.3320 0.6564-0.0000 ( 3882 PWs) bands (ev): -9.4885 -9.4885 -7.0169 -7.0169 -5.7997 -5.7997 -5.7132 -5.7132 -3.7434 -3.7434 -3.6668 -3.6668 -3.6005 -3.6005 -2.6644 -2.6644 0.3399 0.3399 3.1418 3.1418 3.2375 3.2375 3.3002 3.3002 5.4144 5.4144 5.8351 5.8351 5.9547 5.9547 6.5172 6.5172 8.1095 8.1095 10.0114 10.0114 10.9812 10.9812 k =-0.3256 0.6750-0.0000 ( 3886 PWs) bands (ev): -9.4149 -9.4149 -7.1355 -7.1355 -5.8004 -5.8004 -5.7260 -5.7260 -3.7434 -3.7434 -3.6682 -3.6682 -3.6001 -3.6001 -2.6047 -2.6047 0.2639 0.2639 3.1107 3.1107 3.2427 3.2427 3.3660 3.3660 5.3178 5.3178 5.9856 5.9856 6.0653 6.0653 6.5893 6.5893 8.1909 8.1909 9.8804 9.8804 10.8676 10.8676 k =-0.3191 0.6935-0.0000 ( 3878 PWs) bands (ev): -9.3386 -9.3386 -7.2547 -7.2547 -5.8011 -5.8011 -5.7364 -5.7364 -3.7435 -3.7435 -3.6694 -3.6694 -3.5998 -3.5998 -2.5429 -2.5429 0.1857 0.1857 3.0185 3.0185 3.3042 3.3042 3.4386 3.4386 5.2142 5.2142 6.0347 6.0347 6.2918 6.2918 6.6678 6.6678 8.2732 8.2732 9.7499 9.7499 10.7386 10.7386 k =-0.3126 0.7120-0.0000 ( 3866 PWs) bands (ev): -9.2594 -9.2594 -7.3738 -7.3738 -5.8018 -5.8018 -5.7449 -5.7449 -3.7438 -3.7438 -3.6706 -3.6706 -3.5994 -3.5994 -2.4795 -2.4795 0.1065 0.1065 2.9191 2.9191 3.3737 3.3737 3.5132 3.5132 5.1078 5.1078 6.0814 6.0814 6.5303 6.5303 6.7514 6.7514 8.3564 8.3564 9.6208 9.6208 10.6069 10.6069 k =-0.3062 0.7306-0.0000 ( 3866 PWs) bands (ev): -9.1776 -9.1776 -7.4925 -7.4925 -5.8025 -5.8025 -5.7520 -5.7520 -3.7441 -3.7441 -3.6716 -3.6716 -3.5991 -3.5991 -2.4150 -2.4150 0.0274 0.0274 2.8178 2.8178 3.4468 3.4468 3.5894 3.5894 5.0002 5.0002 6.1289 6.1289 6.7693 6.7693 6.8446 6.8446 8.4402 8.4402 9.4936 9.4936 10.4771 10.4771 k =-0.2997 0.7491-0.0000 ( 3862 PWs) bands (ev): -9.0930 -9.0930 -7.6102 -7.6102 -5.8031 -5.8031 -5.7580 -5.7580 -3.7445 -3.7445 -3.6725 -3.6725 -3.5988 -3.5988 -2.3499 -2.3499 -0.0505 -0.0505 2.7157 2.7157 3.5225 3.5225 3.6674 3.6674 4.8924 4.8924 6.1770 6.1770 6.9134 6.9134 7.0401 7.0401 8.5244 8.5244 9.3687 9.3687 10.3518 10.3518 k =-0.2933 0.7677-0.0000 ( 3870 PWs) bands (ev): -9.0058 -9.0058 -7.7267 -7.7267 -5.8037 -5.8037 -5.7630 -5.7630 -3.7449 -3.7449 -3.6734 -3.6734 -3.5985 -3.5985 -2.2849 -2.2849 -0.1261 -0.1261 2.6135 2.6135 3.6007 3.6007 3.7472 3.7472 4.7849 4.7849 6.2254 6.2254 7.0041 7.0041 7.2936 7.2936 8.6085 8.6085 9.2466 9.2466 10.2329 10.2329 k =-0.2868 0.7862-0.0000 ( 3864 PWs) bands (ev): -8.9158 -8.9158 -7.8418 -7.8418 -5.8043 -5.8043 -5.7673 -5.7673 -3.7454 -3.7454 -3.6741 -3.6741 -3.5982 -3.5982 -2.2208 -2.2208 -0.1982 -0.1982 2.5113 2.5113 3.6812 3.6812 3.8290 3.8290 4.6782 4.6782 6.2737 6.2737 7.0917 7.0917 7.5524 7.5524 8.6918 8.6918 9.1282 9.1282 10.1222 10.1222 k =-0.2803 0.8048-0.0000 ( 3872 PWs) bands (ev): -8.8231 -8.8231 -7.9552 -7.9552 -5.8048 -5.8048 -5.7710 -5.7710 -3.7459 -3.7459 -3.6748 -3.6748 -3.5980 -3.5980 -2.1586 -2.1586 -0.2656 -0.2656 2.4095 2.4095 3.7639 3.7639 3.9126 3.9126 4.5729 4.5729 6.3213 6.3213 7.1767 7.1767 7.8120 7.8120 8.7732 8.7732 9.0148 9.0148 10.0217 10.0217 k =-0.2803 0.8048-0.0000 ( 3872 PWs) bands (ev): -8.8231 -8.8231 -7.9552 -7.9552 -5.8048 -5.8048 -5.7710 -5.7710 -3.7459 -3.7459 -3.6748 -3.6748 -3.5980 -3.5980 -2.1586 -2.1586 -0.2656 -0.2656 2.4095 2.4095 3.7639 3.7639 3.9126 3.9126 4.5729 4.5729 6.3213 6.3213 7.1767 7.1767 7.8120 7.8120 8.7732 8.7732 9.0148 9.0148 10.0217 10.0217 k =-0.2803 0.8048 0.0202 ( 3864 PWs) bands (ev): -8.8230 -8.8230 -7.9551 -7.9551 -5.8048 -5.8048 -5.7710 -5.7710 -3.7461 -3.7461 -3.6753 -3.6753 -3.5980 -3.5980 -2.1565 -2.1565 -0.2647 -0.2647 2.4098 2.4098 3.7620 3.7620 3.9112 3.9112 4.5711 4.5711 6.3228 6.3228 7.1563 7.1563 7.8149 7.8149 8.7470 8.7470 9.0317 9.0317 10.0518 10.0518 k =-0.2803 0.8048 0.0403 ( 3866 PWs) bands (ev): -8.8227 -8.8227 -7.9548 -7.9548 -5.8051 -5.8051 -5.7710 -5.7710 -3.7465 -3.7465 -3.6766 -3.6766 -3.5978 -3.5978 -2.1501 -2.1501 -0.2619 -0.2619 2.4105 2.4105 3.7564 3.7564 3.9068 3.9068 4.5656 4.5656 6.3273 6.3273 7.0990 7.0990 7.8220 7.8220 8.6709 8.6709 9.0861 9.0861 10.1318 10.1318 k =-0.2803 0.8048 0.0605 ( 3866 PWs) bands (ev): -8.8223 -8.8223 -7.9544 -7.9544 -5.8056 -5.8056 -5.7710 -5.7710 -3.7473 -3.7473 -3.6788 -3.6788 -3.5976 -3.5976 -2.1394 -2.1394 -0.2574 -0.2574 2.4119 2.4119 3.7469 3.7469 3.8997 3.8997 4.5565 4.5565 6.3343 6.3343 7.0137 7.0137 7.8296 7.8296 8.5577 8.5577 9.1765 9.1765 10.2334 10.2334 k =-0.2803 0.8048 0.0807 ( 3861 PWs) bands (ev): -8.8217 -8.8217 -7.9538 -7.9538 -5.8062 -5.8062 -5.7710 -5.7710 -3.7485 -3.7485 -3.6816 -3.6816 -3.5972 -3.5972 -2.1247 -2.1247 -0.2511 -0.2511 2.4137 2.4137 3.7337 3.7337 3.8899 3.8899 4.5440 4.5440 6.3432 6.3432 6.9099 6.9099 7.8346 7.8346 8.4229 8.4229 9.2954 9.2954 10.3083 10.3083 k =-0.2803 0.8048 0.1009 ( 3863 PWs) bands (ev): -8.8209 -8.8209 -7.9531 -7.9531 -5.8070 -5.8070 -5.7710 -5.7710 -3.7503 -3.7503 -3.6849 -3.6849 -3.5968 -3.5968 -2.1059 -2.1059 -0.2430 -0.2430 2.4160 2.4160 3.7167 3.7167 3.8775 3.8775 4.5283 4.5283 6.3523 6.3523 6.7961 6.7961 7.8337 7.8337 8.2795 8.2795 9.4350 9.4350 10.3423 10.3423 k =-0.2803 0.8048 0.1210 ( 3865 PWs) bands (ev): -8.8200 -8.8200 -7.9522 -7.9522 -5.8081 -5.8081 -5.7709 -5.7709 -3.7526 -3.7526 -3.6884 -3.6884 -3.5963 -3.5963 -2.0832 -2.0832 -0.2333 -0.2333 2.4188 2.4188 3.6961 3.6961 3.8626 3.8626 4.5097 4.5097 6.3577 6.3577 6.6812 6.6812 7.8200 7.8200 8.1406 8.1406 9.5884 9.5884 10.3630 10.3630 k =-0.2803 0.8048 0.1412 ( 3869 PWs) bands (ev): -8.8189 -8.8189 -7.9511 -7.9511 -5.8093 -5.8093 -5.7708 -5.7708 -3.7557 -3.7557 -3.6920 -3.6920 -3.5957 -3.5957 -2.0568 -2.0568 -0.2220 -0.2220 2.4220 2.4220 3.6719 3.6719 3.8452 3.8452 4.4884 4.4884 6.3485 6.3485 6.5795 6.5795 7.7747 7.7747 8.0289 8.0289 9.7488 9.7488 10.3839 10.3839 k =-0.2803 0.8048 0.1614 ( 3867 PWs) bands (ev): -8.8177 -8.8177 -7.9499 -7.9499 -5.8107 -5.8107 -5.7707 -5.7707 -3.7597 -3.7597 -3.6954 -3.6954 -3.5950 -3.5950 -2.0268 -2.0268 -0.2093 -0.2093 2.4257 2.4257 3.6446 3.6446 3.8251 3.8251 4.4647 4.4647 6.2994 6.2994 6.5183 6.5183 7.6763 7.6763 7.9690 7.9690 9.9078 9.9078 10.4129 10.4129 k =-0.2803 0.8048 0.1815 ( 3865 PWs) bands (ev): -8.8164 -8.8164 -7.9486 -7.9486 -5.8122 -5.8122 -5.7705 -5.7705 -3.7646 -3.7646 -3.6984 -3.6984 -3.5942 -3.5942 -1.9934 -1.9934 -0.1951 -0.1951 2.4297 2.4297 3.6144 3.6144 3.8021 3.8021 4.4391 4.4391 6.2053 6.2053 6.5039 6.5039 7.5407 7.5407 7.9469 7.9469 10.0517 10.0517 10.4611 10.4611 k =-0.2803 0.8048 0.2017 ( 3875 PWs) bands (ev): -8.8149 -8.8149 -7.9471 -7.9471 -5.8140 -5.8140 -5.7703 -5.7703 -3.7705 -3.7705 -3.7009 -3.7009 -3.5934 -3.5934 -1.9568 -1.9568 -0.1798 -0.1798 2.4341 2.4341 3.5818 3.5818 3.7762 3.7762 4.4118 4.4118 6.0926 6.0926 6.5104 6.5104 7.3930 7.3930 7.9398 7.9398 10.1614 10.1614 10.5439 10.5439 k =-0.2803 0.8048 0.2219 ( 3877 PWs) bands (ev): -8.8133 -8.8133 -7.9456 -7.9456 -5.8159 -5.8159 -5.7701 -5.7701 -3.7772 -3.7772 -3.7028 -3.7028 -3.5925 -3.5925 -1.9171 -1.9171 -0.1633 -0.1633 2.4388 2.4388 3.5472 3.5472 3.7469 3.7469 4.3833 4.3833 5.9761 5.9761 6.5223 6.5223 7.2448 7.2448 7.9384 7.9384 10.2285 10.2285 10.6632 10.6632 k =-0.2803 0.8048 0.2420 ( 3875 PWs) bands (ev): -8.8117 -8.8117 -7.9439 -7.9439 -5.8180 -5.8180 -5.7698 -5.7698 -3.7845 -3.7845 -3.7042 -3.7042 -3.5915 -3.5915 -1.8746 -1.8746 -0.1459 -0.1459 2.4438 2.4438 3.5110 3.5110 3.7143 3.7143 4.3537 4.3537 5.8613 5.8613 6.5317 6.5317 7.1028 7.1028 7.9396 7.9396 10.2660 10.2660 10.7921 10.7921 k =-0.2803 0.8048 0.2622 ( 3879 PWs) bands (ev): -8.8099 -8.8099 -7.9422 -7.9422 -5.8202 -5.8202 -5.7694 -5.7694 -3.7925 -3.7925 -3.7052 -3.7052 -3.5905 -3.5905 -1.8295 -1.8295 -0.1279 -0.1279 2.4491 2.4491 3.4736 3.4736 3.6781 3.6781 4.3234 4.3234 5.7506 5.7506 6.5299 6.5299 6.9757 6.9757 7.9421 7.9421 10.2882 10.2882 10.8916 10.8916 k =-0.2803 0.8048 0.2824 ( 3879 PWs) bands (ev): -8.8081 -8.8081 -7.9404 -7.9404 -5.8226 -5.8226 -5.7690 -5.7690 -3.8008 -3.8008 -3.7058 -3.7058 -3.5894 -3.5894 -1.7819 -1.7819 -0.1094 -0.1094 2.4544 2.4544 3.4354 3.4354 3.6386 3.6386 4.2925 4.2925 5.6453 5.6453 6.5026 6.5026 6.8779 6.8779 7.9454 7.9454 10.3028 10.3028 10.9386 10.9386 k =-0.2803 0.8048 0.3026 ( 3883 PWs) bands (ev): -8.8062 -8.8062 -7.9385 -7.9385 -5.8250 -5.8250 -5.7686 -5.7686 -3.8093 -3.8093 -3.7060 -3.7060 -3.5882 -3.5882 -1.7320 -1.7320 -0.0906 -0.0906 2.4599 2.4599 3.3969 3.3969 3.5957 3.5957 4.2610 4.2610 5.5462 5.5462 6.4357 6.4357 6.8236 6.8236 7.9491 7.9491 10.3131 10.3131 10.9463 10.9463 k =-0.2803 0.8048 0.3227 ( 3887 PWs) bands (ev): -8.8043 -8.8043 -7.9366 -7.9366 -5.8276 -5.8276 -5.7682 -5.7682 -3.8179 -3.8179 -3.7061 -3.7061 -3.5871 -3.5871 -1.6801 -1.6801 -0.0719 -0.0719 2.4655 2.4655 3.3583 3.3583 3.5500 3.5500 4.2291 4.2291 5.4539 5.4539 6.3345 6.3345 6.8077 6.8077 7.9531 7.9531 10.3209 10.3209 10.9345 10.9345 k =-0.2803 0.8048 0.3429 ( 3877 PWs) bands (ev): -8.8023 -8.8023 -7.9347 -7.9347 -5.8301 -5.8301 -5.7677 -5.7677 -3.8264 -3.8264 -3.7059 -3.7059 -3.5859 -3.5859 -1.6263 -1.6263 -0.0536 -0.0536 2.4711 2.4711 3.3200 3.3200 3.5018 3.5018 4.1966 4.1966 5.3686 5.3686 6.2161 6.2161 6.8132 6.8132 7.9572 7.9572 10.3268 10.3268 10.9139 10.9139 k =-0.2803 0.8048 0.3631 ( 3869 PWs) bands (ev): -8.8003 -8.8003 -7.9328 -7.9328 -5.8327 -5.8327 -5.7672 -5.7672 -3.8348 -3.8348 -3.7056 -3.7056 -3.5847 -3.5847 -1.5708 -1.5708 -0.0361 -0.0361 2.4766 2.4766 3.2823 3.2823 3.4519 3.4519 4.1634 4.1634 5.2904 5.2904 6.0922 6.0922 6.8287 6.8287 7.9614 7.9614 10.3315 10.3315 10.8892 10.8892 k =-0.2803 0.8048 0.3832 ( 3871 PWs) bands (ev): -8.7984 -8.7984 -7.9309 -7.9309 -5.8353 -5.8353 -5.7667 -5.7667 -3.8430 -3.8430 -3.7052 -3.7052 -3.5835 -3.5835 -1.5138 -1.5138 -0.0196 -0.0196 2.4821 2.4821 3.2454 3.2454 3.4010 3.4010 4.1294 4.1294 5.2195 5.2195 5.9683 5.9683 6.8488 6.8488 7.9656 7.9656 10.3351 10.3351 10.8631 10.8631 k =-0.2803 0.8048 0.4034 ( 3872 PWs) bands (ev): -8.7965 -8.7965 -7.9289 -7.9289 -5.8380 -5.8380 -5.7662 -5.7662 -3.8509 -3.8509 -3.7047 -3.7047 -3.5823 -3.5823 -1.4557 -1.4557 -0.0046 -0.0046 2.4873 2.4873 3.2096 3.2096 3.3499 3.3499 4.0945 4.0945 5.1557 5.1557 5.8473 5.8473 6.8708 6.8708 7.9698 7.9698 10.3378 10.3378 10.8368 10.8368 k =-0.2803 0.8048 0.4236 ( 3868 PWs) bands (ev): -8.7946 -8.7946 -7.9271 -7.9271 -5.8405 -5.8405 -5.7657 -5.7657 -3.8585 -3.8585 -3.7041 -3.7041 -3.5811 -3.5811 -1.3966 -1.3966 0.0085 0.0085 2.4924 2.4924 3.1752 3.1752 3.2995 3.2995 4.0587 4.0587 5.0986 5.0986 5.7309 5.7309 6.8934 6.8934 7.9739 7.9739 10.3397 10.3397 10.8112 10.8112 k =-0.2803 0.8048 0.4437 ( 3864 PWs) bands (ev): -8.7927 -8.7927 -7.9253 -7.9253 -5.8430 -5.8430 -5.7652 -5.7652 -3.8656 -3.8656 -3.7035 -3.7035 -3.5799 -3.5799 -1.3368 -1.3368 0.0194 0.0194 2.4972 2.4972 3.1422 3.1422 3.2508 3.2508 4.0218 4.0218 5.0480 5.0480 5.6201 5.6201 6.9159 6.9159 7.9778 7.9778 10.3409 10.3409 10.7870 10.7870 k =-0.2803 0.8048 0.4639 ( 3870 PWs) bands (ev): -8.7909 -8.7909 -7.9235 -7.9235 -5.8455 -5.8455 -5.7647 -5.7647 -3.8724 -3.8724 -3.7029 -3.7029 -3.5788 -3.5788 -1.2768 -1.2768 0.0277 0.0277 2.5017 2.5017 3.1110 3.1110 3.2045 3.2045 3.9841 3.9841 5.0033 5.0033 5.5157 5.5157 6.9378 6.9378 7.9816 7.9816 10.3414 10.3414 10.7644 10.7644 k =-0.2803 0.8048 0.4841 ( 3872 PWs) bands (ev): -8.7892 -8.7892 -7.9218 -7.9218 -5.8478 -5.8478 -5.7643 -5.7643 -3.8787 -3.8787 -3.7023 -3.7023 -3.5778 -3.5778 -1.2167 -1.2167 0.0332 0.0332 2.5059 2.5059 3.0815 3.0815 3.1614 3.1614 3.9457 3.9457 4.9642 4.9642 5.4184 5.4184 6.9586 6.9586 7.9852 7.9852 10.3413 10.3413 10.7437 10.7437 k =-0.2803 0.8048 0.5043 ( 3879 PWs) bands (ev): -8.7876 -8.7876 -7.9203 -7.9203 -5.8500 -5.8500 -5.7638 -5.7638 -3.8845 -3.8845 -3.7017 -3.7017 -3.5767 -3.5767 -1.1571 -1.1571 0.0355 0.0355 2.5097 2.5097 3.0541 3.0541 3.1223 3.1223 3.9069 3.9069 4.9301 4.9301 5.3288 5.3288 6.9782 6.9782 7.9886 7.9886 10.3408 10.3408 10.7251 10.7251 k =-0.2803 0.8048 0.5244 ( 3886 PWs) bands (ev): -8.7861 -8.7861 -7.9188 -7.9188 -5.8520 -5.8520 -5.7634 -5.7634 -3.8897 -3.8897 -3.7012 -3.7012 -3.5758 -3.5758 -1.0985 -1.0985 0.0346 0.0346 2.5132 2.5132 3.0288 3.0288 3.0876 3.0876 3.8681 3.8681 4.9003 4.9003 5.2474 5.2474 6.9963 6.9963 7.9917 7.9917 10.3399 10.3399 10.7086 10.7086 k =-0.2803 0.8048 0.5446 ( 3890 PWs) bands (ev): -8.7848 -8.7848 -7.9174 -7.9174 -5.8539 -5.8539 -5.7631 -5.7631 -3.8945 -3.8945 -3.7007 -3.7007 -3.5749 -3.5749 -1.0414 -1.0414 0.0305 0.0305 2.5164 2.5164 3.0057 3.0057 3.0575 3.0575 3.8299 3.8299 4.8744 4.8744 5.1746 5.1746 7.0129 7.0129 7.9946 7.9946 10.3387 10.3387 10.6942 10.6942 k =-0.2803 0.8048 0.5648 ( 3890 PWs) bands (ev): -8.7835 -8.7835 -7.9162 -7.9162 -5.8556 -5.8556 -5.7627 -5.7627 -3.8987 -3.8987 -3.7002 -3.7002 -3.5741 -3.5741 -0.9867 -0.9867 0.0235 0.0235 2.5193 2.5193 2.9851 2.9851 3.0322 3.0322 3.7928 3.7928 4.8520 4.8520 5.1108 5.1108 7.0277 7.0277 7.9972 7.9972 10.3373 10.3373 10.6819 10.6819 k =-0.2803 0.8048 0.5849 ( 3890 PWs) bands (ev): -8.7824 -8.7824 -7.9152 -7.9152 -5.8571 -5.8571 -5.7624 -5.7624 -3.9024 -3.9024 -3.6997 -3.6997 -3.5734 -3.5734 -0.9351 -0.9351 0.0140 0.0140 2.5219 2.5219 2.9671 2.9671 3.0115 3.0115 3.7578 3.7578 4.8324 4.8324 5.0562 5.0562 7.0407 7.0407 7.9995 7.9995 10.3358 10.3358 10.6715 10.6715 k =-0.2803 0.8048 0.6051 ( 3886 PWs) bands (ev): -8.7815 -8.7815 -7.9142 -7.9142 -5.8584 -5.8584 -5.7622 -5.7622 -3.9055 -3.9055 -3.6994 -3.6994 -3.5728 -3.5728 -0.8878 -0.8878 0.0027 0.0027 2.5242 2.5242 2.9519 2.9519 2.9951 2.9951 3.7256 3.7256 4.8154 4.8154 5.0110 5.0110 7.0518 7.0518 8.0015 8.0015 10.3343 10.3343 10.6630 10.6630 k =-0.2803 0.8048 0.6253 ( 3886 PWs) bands (ev): -8.7807 -8.7807 -7.9135 -7.9135 -5.8595 -5.8595 -5.7619 -5.7619 -3.9081 -3.9081 -3.6990 -3.6990 -3.5723 -3.5723 -0.8460 -0.8460 -0.0094 -0.0094 2.5261 2.5261 2.9395 2.9395 2.9826 2.9826 3.6974 3.6974 4.8009 4.8009 4.9751 4.9751 7.0609 7.0609 8.0031 8.0031 10.3330 10.3330 10.6563 10.6563 k =-0.2803 0.8048 0.6454 ( 3890 PWs) bands (ev): -8.7801 -8.7801 -7.9129 -7.9129 -5.8604 -5.8604 -5.7618 -5.7618 -3.9101 -3.9101 -3.6988 -3.6988 -3.5719 -3.5719 -0.8111 -0.8111 -0.0210 -0.0210 2.5277 2.5277 2.9299 2.9299 2.9736 2.9736 3.6741 3.6741 4.7890 4.7890 4.9480 4.9480 7.0681 7.0681 8.0044 8.0044 10.3319 10.3319 10.6511 10.6511 k =-0.2803 0.8048 0.6656 ( 3892 PWs) bands (ev): -8.7797 -8.7797 -7.9124 -7.9124 -5.8610 -5.8610 -5.7617 -5.7617 -3.9115 -3.9115 -3.6986 -3.6986 -3.5716 -3.5716 -0.7847 -0.7847 -0.0307 -0.0307 2.5289 2.5289 2.9231 2.9231 2.9676 2.9676 3.6566 3.6566 4.7799 4.7799 4.9294 4.9294 7.0732 7.0732 8.0053 8.0053 10.3310 10.3310 10.6476 10.6476 k =-0.2803 0.8048 0.6858 ( 3894 PWs) bands (ev): -8.7794 -8.7794 -7.9122 -7.9122 -5.8613 -5.8613 -5.7616 -5.7616 -3.9124 -3.9124 -3.6985 -3.6985 -3.5714 -3.5714 -0.7681 -0.7681 -0.0372 -0.0372 2.5296 2.5296 2.9190 2.9190 2.9642 2.9642 3.6457 3.6457 4.7743 4.7743 4.9185 4.9185 7.0763 7.0763 8.0058 8.0058 10.3305 10.3305 10.6454 10.6454 k =-0.2803 0.8048 0.7060 ( 3892 PWs) bands (ev): -8.7793 -8.7793 -7.9121 -7.9121 -5.8615 -5.8615 -5.7616 -5.7616 -3.9127 -3.9127 -3.6985 -3.6985 -3.5714 -3.5714 -0.7625 -0.7625 -0.0394 -0.0394 2.5299 2.5299 2.9177 2.9177 2.9631 2.9631 3.6421 3.6421 4.7723 4.7723 4.9149 4.9149 7.0774 7.0774 8.0060 8.0060 10.3303 10.3303 10.6447 10.6447 k =-0.2803 0.8048 0.7060 ( 3892 PWs) bands (ev): -8.7793 -8.7793 -7.9121 -7.9121 -5.8615 -5.8615 -5.7616 -5.7616 -3.9127 -3.9127 -3.6985 -3.6985 -3.5714 -3.5714 -0.7625 -0.7625 -0.0394 -0.0394 2.5299 2.5299 2.9177 2.9177 2.9631 2.9631 3.6421 3.6421 4.7723 4.7723 4.9149 4.9149 7.0774 7.0774 8.0060 8.0060 10.3303 10.3303 10.6447 10.6447 k =-0.2868 0.7862 0.7060 ( 3884 PWs) bands (ev): -8.8720 -8.8720 -7.7990 -7.7990 -5.8604 -5.8604 -5.7574 -5.7574 -3.9101 -3.9101 -3.6981 -3.6981 -3.5721 -3.5721 -0.7909 -0.7909 -0.1095 -0.1095 2.6229 2.6229 2.8379 2.8379 3.0254 3.0254 3.7514 3.7514 4.7748 4.7748 4.8944 4.8944 7.0973 7.0973 7.7419 7.7419 10.2960 10.2960 10.8906 10.8906 k =-0.2933 0.7677 0.7060 ( 3884 PWs) bands (ev): -8.9619 -8.9619 -7.6844 -7.6844 -5.8591 -5.8591 -5.7525 -5.7525 -3.9070 -3.9070 -3.6977 -3.6977 -3.5730 -3.5730 -0.8243 -0.8243 -0.1804 -0.1804 2.6928 2.6928 2.7804 2.7804 3.0990 3.0990 3.8677 3.8677 4.6664 4.6664 4.9877 4.9877 7.1153 7.1153 7.4836 7.4836 10.2308 10.2308 11.1686 11.1686 k =-0.2997 0.7491 0.7060 ( 3888 PWs) bands (ev): -9.0492 -9.0492 -7.5683 -7.5683 -5.8576 -5.8576 -5.7467 -5.7467 -3.9035 -3.9035 -3.6970 -3.6970 -3.5741 -3.5741 -0.8622 -0.8622 -0.2516 -0.2516 2.6497 2.6497 2.8385 2.8385 3.1800 3.1800 3.9899 3.9899 4.5500 4.5500 5.0914 5.0914 7.1309 7.1309 7.2322 7.2322 10.1620 10.1620 11.4506 11.4506 k =-0.3062 0.7306 0.7060 ( 3884 PWs) bands (ev): -9.1337 -9.1337 -7.4512 -7.4512 -5.8560 -5.8560 -5.7399 -5.7399 -3.8995 -3.8995 -3.6961 -3.6961 -3.5752 -3.5752 -0.9040 -0.9040 -0.3227 -0.3227 2.5740 2.5740 2.9319 2.9319 3.2676 3.2676 4.1162 4.1162 4.4324 4.4324 5.1993 5.1993 6.9863 6.9863 7.1465 7.1465 10.0947 10.0947 11.7304 11.7304 k =-0.3126 0.7120 0.7060 ( 3876 PWs) bands (ev): -9.2155 -9.2155 -7.3332 -7.3332 -5.8542 -5.8542 -5.7319 -5.7319 -3.8949 -3.8949 -3.6950 -3.6950 -3.5764 -3.5764 -0.9492 -0.9492 -0.3932 -0.3932 2.4974 2.4974 3.0287 3.0287 3.3614 3.3614 4.2289 4.2289 4.3309 4.3309 5.3101 5.3101 6.7506 6.7506 7.1585 7.1585 10.0303 10.0303 12.0047 12.0047 k =-0.3191 0.6935 0.7060 ( 3880 PWs) bands (ev): -9.2946 -9.2946 -7.2148 -7.2148 -5.8522 -5.8522 -5.7222 -5.7222 -3.8899 -3.8899 -3.6935 -3.6935 -3.5778 -3.5778 -0.9973 -0.9973 -0.4629 -0.4629 2.4224 2.4224 3.1262 3.1262 3.4604 3.4604 4.1659 4.1659 4.4075 4.4075 5.4233 5.4233 6.5242 6.5242 7.1689 7.1689 9.9695 9.9695 12.2705 12.2705 k =-0.3256 0.6750 0.7060 ( 3884 PWs) bands (ev): -9.3709 -9.3709 -7.0965 -7.0965 -5.8501 -5.8501 -5.7104 -5.7104 -3.8844 -3.8844 -3.6917 -3.6917 -3.5792 -3.5792 -1.0478 -1.0478 -0.5314 -0.5314 2.3496 2.3496 3.2231 3.2231 3.5629 3.5629 4.0419 4.0419 4.5477 4.5477 5.5380 5.5380 6.3089 6.3089 7.1776 7.1776 9.9128 9.9128 12.5218 12.5218 k =-0.3320 0.6564 0.7060 ( 3884 PWs) bands (ev): -9.4445 -9.4445 -6.9789 -6.9789 -5.8479 -5.8479 -5.6961 -5.6961 -3.8784 -3.8784 -3.6893 -3.6893 -3.5807 -3.5807 -1.1002 -1.1002 -0.5986 -0.5986 2.2792 2.2792 3.3178 3.3178 3.6626 3.6626 3.9189 3.9189 4.6960 4.6960 5.6525 5.6525 6.1072 6.1072 7.1848 7.1848 9.8606 9.8606 12.6255 12.6255 k =-0.3385 0.6379 0.7060 ( 3886 PWs) bands (ev): -9.5153 -9.5153 -6.8631 -6.8631 -5.8455 -5.8455 -5.6784 -5.6784 -3.8720 -3.8720 -3.6864 -3.6864 -3.5823 -3.5823 -1.1540 -1.1540 -0.6642 -0.6642 2.2113 2.2113 3.4052 3.4052 3.7034 3.7034 3.8592 3.8592 4.8493 4.8493 5.7545 5.7545 5.9318 5.9318 7.1904 7.1904 9.8130 9.8130 12.5571 12.5571 k =-0.3449 0.6193 0.7060 ( 3894 PWs) bands (ev): -9.5834 -9.5834 -6.7500 -6.7500 -5.8431 -5.8431 -5.6564 -5.6564 -3.8651 -3.8651 -3.6828 -3.6828 -3.5840 -3.5840 -1.2089 -1.2089 -0.7281 -0.7281 2.1459 2.1459 3.4536 3.4536 3.6363 3.6363 3.9428 3.9428 5.0067 5.0067 5.7045 5.7045 5.9231 5.9231 7.1948 7.1948 9.7704 9.7704 12.4897 12.4897 k =-0.3514 0.6008 0.7060 ( 3898 PWs) bands (ev): -9.6488 -9.6488 -6.6411 -6.6411 -5.8406 -5.8406 -5.6289 -5.6289 -3.8578 -3.8578 -3.6783 -3.6783 -3.5857 -3.5857 -1.2644 -1.2644 -0.7902 -0.7902 2.0831 2.0831 3.3716 3.3716 3.6607 3.6607 4.0609 4.0609 5.1669 5.1669 5.5511 5.5511 6.0333 6.0333 7.1981 7.1981 9.7330 9.7330 12.4233 12.4233 k =-0.3579 0.5822 0.7060 ( 3892 PWs) bands (ev): -9.7114 -9.7114 -6.5381 -6.5381 -5.8380 -5.8380 -5.5944 -5.5944 -3.8500 -3.8500 -3.6729 -3.6729 -3.5874 -3.5874 -1.3202 -1.3202 -0.8503 -0.8503 2.0229 2.0229 3.2201 3.2201 3.7410 3.7410 4.1876 4.1876 5.3156 5.3156 5.4175 5.4175 6.1527 6.1527 7.2006 7.2006 9.7009 9.7009 12.3578 12.3578 k =-0.3643 0.5637 0.7060 ( 3892 PWs) bands (ev): -9.7712 -9.7712 -6.4430 -6.4430 -5.8354 -5.8354 -5.5512 -5.5512 -3.8418 -3.8418 -3.6663 -3.6663 -3.5892 -3.5892 -1.3759 -1.3759 -0.9084 -0.9084 1.9653 1.9653 3.0499 3.0499 3.8298 3.8298 4.3195 4.3195 5.2490 5.2490 5.5143 5.5143 6.2739 6.2739 7.2027 7.2027 9.6744 9.6744 12.2927 12.2927 k =-0.3708 0.5451 0.7060 ( 3884 PWs) bands (ev): -9.8282 -9.8282 -6.3576 -6.3576 -5.8327 -5.8327 -5.4978 -5.4978 -3.8333 -3.8333 -3.6583 -3.6583 -3.5910 -3.5910 -1.4313 -1.4313 -0.9643 -0.9643 1.9104 1.9104 2.8698 2.8698 3.9195 3.9195 4.4555 4.4555 5.1252 5.1252 5.6837 5.6837 6.3950 6.3950 7.2048 7.2048 9.6538 9.6538 12.2277 12.2277 k =-0.3772 0.5266 0.7060 ( 3886 PWs) bands (ev): -9.8825 -9.8825 -6.2833 -6.2833 -5.8301 -5.8301 -5.4331 -5.4331 -3.8244 -3.8244 -3.6486 -3.6486 -3.5928 -3.5928 -1.4861 -1.4861 -1.0181 -1.0181 1.8580 1.8580 2.6827 2.6827 4.0080 4.0080 4.5947 4.5947 5.0105 5.0105 5.8587 5.8587 6.5149 6.5149 7.2075 7.2075 9.6391 9.6391 12.1619 12.1619 k =-0.3837 0.5080 0.7060 ( 3894 PWs) bands (ev): -9.9340 -9.9340 -6.2208 -6.2208 -5.8275 -5.8275 -5.3571 -5.3571 -3.8153 -3.8153 -3.6367 -3.6367 -3.5946 -3.5946 -1.5400 -1.5400 -1.0697 -1.0697 1.8083 1.8083 2.4903 2.4903 4.0945 4.0945 4.7364 4.7364 4.9068 4.9068 6.0368 6.0368 6.6326 6.6326 7.2119 7.2119 9.6306 9.6306 12.0944 12.0944 k =-0.3902 0.4895 0.7060 ( 3886 PWs) bands (ev): -9.9828 -9.9828 -6.1696 -6.1696 -5.8249 -5.8249 -5.2708 -5.2708 -3.8059 -3.8059 -3.6223 -3.6223 -3.5964 -3.5964 -1.5927 -1.5927 -1.1192 -1.1192 1.7613 1.7613 2.2941 2.2941 4.1784 4.1784 4.8078 4.8078 4.8857 4.8857 6.2171 6.2171 6.7462 6.7462 7.2195 7.2195 9.6285 9.6285 12.0242 12.0242 k =-0.3966 0.4709 0.7060 ( 3890 PWs) bands (ev): -10.0287 -10.0287 -6.1284 -6.1284 -5.8224 -5.8224 -5.1763 -5.1763 -3.7962 -3.7962 -3.6048 -3.6048 -3.5981 -3.5981 -1.6440 -1.6440 -1.1665 -1.1665 1.7169 1.7169 2.0955 2.0955 4.2593 4.2593 4.7245 4.7245 5.0305 5.0305 6.3984 6.3984 6.8535 6.8535 7.2334 7.2334 9.6328 9.6328 11.9497 11.9497 k =-0.4031 0.4524 0.7060 ( 3890 PWs) bands (ev): -10.0719 -10.0719 -6.0957 -6.0957 -5.8199 -5.8199 -5.0762 -5.0762 -3.7865 -3.7865 -3.5999 -3.5999 -3.5832 -3.5832 -1.6937 -1.6937 -1.2117 -1.2117 1.6751 1.6751 1.8958 1.8958 4.3367 4.3367 4.6477 4.6477 5.1791 5.1791 6.5780 6.5780 6.9516 6.9516 7.2580 7.2580 9.6437 9.6437 11.8693 11.8693 k =-0.4095 0.4338 0.7060 ( 3898 PWs) bands (ev): -10.1123 -10.1123 -6.0698 -6.0698 -5.8175 -5.8175 -4.9731 -4.9731 -3.7766 -3.7766 -3.6015 -3.6015 -3.5569 -3.5569 -1.7416 -1.7416 -1.2549 -1.2549 1.6356 1.6356 1.6965 1.6965 4.4102 4.4102 4.5785 4.5785 5.3290 5.3290 6.7490 6.7490 7.0403 7.0403 7.2996 7.2996 9.6611 9.6611 11.7813 11.7813 k =-0.4160 0.4153 0.7060 ( 3902 PWs) bands (ev): -10.1499 -10.1499 -6.0491 -6.0491 -5.8152 -5.8152 -4.8700 -4.8700 -3.7667 -3.7667 -3.6032 -3.6032 -3.5249 -3.5249 -1.7874 -1.7874 -1.2961 -1.2961 1.4969 1.4969 1.6003 1.6003 4.4766 4.4766 4.5193 4.5193 5.4798 5.4798 6.8916 6.8916 7.1362 7.1362 7.3607 7.3607 9.6850 9.6850 11.6847 11.6847 k =-0.4225 0.3967 0.7060 ( 3898 PWs) bands (ev): -10.1848 -10.1848 -6.0326 -6.0326 -5.8130 -5.8130 -4.7696 -4.7696 -3.7569 -3.7569 -3.6047 -3.6047 -3.4861 -3.4861 -1.8309 -1.8309 -1.3356 -1.3356 1.3010 1.3010 1.5664 1.5664 4.4565 4.4565 4.5487 4.5487 5.6307 5.6307 6.9775 6.9775 7.2712 7.2712 7.4364 7.4364 9.7153 9.7153 11.5789 11.5789 k =-0.4289 0.3782 0.7060 ( 3898 PWs) bands (ev): -10.2169 -10.2169 -6.0194 -6.0194 -5.8109 -5.8109 -4.6743 -4.6743 -3.7473 -3.7473 -3.6061 -3.6061 -3.4392 -3.4392 -1.8719 -1.8719 -1.3734 -1.3734 1.1086 1.1086 1.5353 1.5353 4.4071 4.4071 4.6087 4.6087 5.7812 5.7812 7.0166 7.0166 7.4401 7.4401 7.5205 7.5205 9.7517 9.7517 11.4649 11.4649 k =-0.4354 0.3596 0.7060 ( 3902 PWs) bands (ev): -10.2461 -10.2461 -6.0087 -6.0087 -5.8090 -5.8090 -4.5864 -4.5864 -3.7379 -3.7379 -3.6075 -3.6075 -3.3835 -3.3835 -1.9103 -1.9103 -1.4099 -1.4099 0.9212 0.9212 1.5070 1.5070 4.3624 4.3624 4.6648 4.6648 5.9303 5.9303 7.0344 7.0344 7.5826 7.5826 7.6469 7.6469 9.7937 9.7937 11.3445 11.3445 k =-0.4419 0.3411 0.7060 ( 3894 PWs) bands (ev): -10.2726 -10.2726 -6.0001 -6.0001 -5.8072 -5.8072 -4.5077 -4.5077 -3.7289 -3.7289 -3.6087 -3.6087 -3.3185 -3.3185 -1.9458 -1.9458 -1.4452 -1.4452 0.7403 0.7403 1.4814 1.4814 4.3227 4.3227 4.7161 4.7161 6.0771 6.0771 7.0428 7.0428 7.6629 7.6629 7.8378 7.8378 9.8405 9.8405 11.2203 11.2203 k =-0.4483 0.3225 0.7060 ( 3894 PWs) bands (ev): -10.2963 -10.2963 -5.9930 -5.9930 -5.8056 -5.8056 -4.4393 -4.4393 -3.7204 -3.7204 -3.6098 -3.6098 -3.2447 -3.2447 -1.9782 -1.9782 -1.4797 -1.4797 0.5676 0.5676 1.4585 1.4585 4.2877 4.2877 4.7624 4.7624 6.2204 6.2204 7.0464 7.0464 7.7298 7.7298 8.0384 8.0384 9.8909 9.8909 11.0949 11.0949 k =-0.4548 0.3040 0.7060 ( 3902 PWs) bands (ev): -10.3172 -10.3172 -5.9874 -5.9874 -5.8041 -5.8041 -4.3815 -4.3815 -3.7125 -3.7125 -3.6108 -3.6108 -3.1633 -3.1633 -2.0074 -2.0074 -1.5138 -1.5138 0.4052 0.4052 1.4382 1.4382 4.2574 4.2574 4.8034 4.8034 6.3588 6.3588 7.0474 7.0474 7.7858 7.7858 8.2424 8.2424 9.9430 9.9430 10.9704 10.9704 k =-0.4612 0.2855 0.7060 ( 3902 PWs) bands (ev): -10.3354 -10.3354 -5.9828 -5.9828 -5.8028 -5.8028 -4.3340 -4.3340 -3.7054 -3.7054 -3.6117 -3.6117 -3.0768 -3.0768 -2.0331 -2.0331 -1.5476 -1.5476 0.2554 0.2554 1.4207 1.4207 4.2314 4.2314 4.8392 4.8392 6.4904 6.4904 7.0468 7.0468 7.8300 7.8300 8.4484 8.4484 9.9937 9.9937 10.8485 10.8485 k =-0.4677 0.2669 0.7060 ( 3898 PWs) bands (ev): -10.3507 -10.3507 -5.9791 -5.9791 -5.8017 -5.8017 -4.2961 -4.2961 -3.6991 -3.6991 -3.6124 -3.6124 -2.9887 -2.9887 -2.0552 -2.0552 -1.5811 -1.5811 0.1208 0.1208 1.4058 1.4058 4.2097 4.2097 4.8696 4.8696 6.6129 6.6129 7.0451 7.0451 7.8622 7.8622 8.6554 8.6554 10.0369 10.0369 10.7304 10.7304 k =-0.4742 0.2484 0.7060 ( 3898 PWs) bands (ev): -10.3633 -10.3633 -5.9763 -5.9763 -5.8008 -5.8008 -4.2669 -4.2669 -3.6938 -3.6938 -3.6130 -3.6130 -2.9034 -2.9034 -2.0735 -2.0735 -1.6138 -1.6138 0.0046 0.0046 1.3937 1.3937 4.1920 4.1920 4.8945 4.8945 6.7236 6.7236 7.0423 7.0423 7.8827 7.8827 8.8623 8.8623 10.0613 10.0613 10.6208 10.6208 k =-0.4806 0.2298 0.7060 ( 3890 PWs) bands (ev): -10.3730 -10.3730 -5.9742 -5.9742 -5.8001 -5.8001 -4.2453 -4.2453 -3.6896 -3.6896 -3.6134 -3.6134 -2.8263 -2.8263 -2.0880 -2.0880 -1.6444 -1.6444 -0.0902 -0.0902 1.3842 1.3842 4.1784 4.1784 4.9139 4.9139 6.8191 6.8191 7.0380 7.0380 7.8934 7.8934 9.0678 9.0678 10.0462 10.0462 10.5329 10.5329 k =-0.4871 0.2113 0.7060 ( 3888 PWs) bands (ev): -10.3800 -10.3800 -5.9727 -5.9727 -5.7996 -5.7996 -4.2304 -4.2304 -3.6865 -3.6865 -3.6137 -3.6137 -2.7639 -2.7639 -2.0984 -2.0984 -1.6704 -1.6704 -0.1606 -0.1606 1.3775 1.3775 4.1688 4.1688 4.9278 4.9278 6.8962 6.8962 7.0313 7.0313 7.8969 7.8969 9.2698 9.2698 9.9706 9.9706 10.4835 10.4835 k =-0.4935 0.1927 0.7060 ( 3888 PWs) bands (ev): -10.3842 -10.3842 -5.9719 -5.9719 -5.7993 -5.7993 -4.2218 -4.2218 -3.6847 -3.6847 -3.6139 -3.6139 -2.7228 -2.7228 -2.1047 -2.1047 -1.6883 -1.6883 -0.2039 -0.2039 1.3734 1.3734 4.1630 4.1630 4.9362 4.9362 6.9518 6.9518 7.0205 7.0205 7.8970 7.8970 9.4633 9.4633 9.8410 9.8410 10.4673 10.4673 k =-0.5000 0.1742 0.7060 ( 3896 PWs) bands (ev): -10.3856 -10.3856 -5.9716 -5.9716 -5.7992 -5.7992 -4.2190 -4.2190 -3.6841 -3.6841 -3.6140 -3.6140 -2.7084 -2.7084 -2.1068 -2.1068 -1.6947 -1.6947 -0.2185 -0.2185 1.3721 1.3721 4.1611 4.1611 4.9389 4.9389 6.9780 6.9780 7.0097 7.0097 7.8966 7.8966 9.6009 9.6009 9.7221 9.7221 10.4646 10.4646 k =-0.5000 0.1742 0.7060 ( 3896 PWs) bands (ev): -10.3856 -10.3856 -5.9716 -5.9716 -5.7992 -5.7992 -4.2190 -4.2190 -3.6841 -3.6841 -3.6140 -3.6140 -2.7084 -2.7084 -2.1068 -2.1068 -1.6947 -1.6947 -0.2185 -0.2185 1.3721 1.3721 4.1611 4.1611 4.9389 4.9389 6.9780 6.9780 7.0097 7.0097 7.8966 7.8966 9.6009 9.6009 9.7221 9.7221 10.4646 10.4646 k =-0.5000 0.1742 0.6858 ( 3892 PWs) bands (ev): -10.3857 -10.3857 -5.9716 -5.9716 -5.7992 -5.7992 -4.2190 -4.2190 -3.6840 -3.6840 -3.6140 -3.6140 -2.7149 -2.7149 -2.1022 -2.1022 -1.6948 -1.6948 -0.2143 -0.2143 1.3735 1.3735 4.1610 4.1610 4.9380 4.9380 6.9786 6.9786 7.0073 7.0073 7.8900 7.8900 9.5793 9.5793 9.7416 9.7416 10.4697 10.4697 k =-0.5000 0.1742 0.6656 ( 3888 PWs) bands (ev): -10.3860 -10.3860 -5.9717 -5.9717 -5.7991 -5.7991 -4.2191 -4.2191 -3.6837 -3.6837 -3.6139 -3.6139 -2.7335 -2.7335 -2.0890 -2.0890 -1.6950 -1.6950 -0.2016 -0.2016 1.3778 1.3778 4.1609 4.1609 4.9354 4.9354 6.9804 6.9804 7.0001 7.0001 7.8707 7.8707 9.5304 9.5304 9.7845 9.7845 10.4846 10.4846 k =-0.5000 0.1742 0.6454 ( 3886 PWs) bands (ev): -10.3864 -10.3864 -5.9718 -5.9718 -5.7990 -5.7990 -4.2192 -4.2192 -3.6832 -3.6832 -3.6139 -3.6139 -2.7625 -2.7625 -2.0690 -2.0690 -1.6953 -1.6953 -0.1806 -0.1806 1.3849 1.3849 4.1608 4.1608 4.9309 4.9309 6.9833 6.9833 6.9883 6.9883 7.8398 7.8398 9.4676 9.4676 9.8391 9.8391 10.5094 10.5094 k =-0.5000 0.1742 0.6253 ( 3886 PWs) bands (ev): -10.3870 -10.3870 -5.9720 -5.9720 -5.7988 -5.7988 -4.2194 -4.2194 -3.6825 -3.6825 -3.6139 -3.6139 -2.7997 -2.7997 -2.0444 -2.0444 -1.6958 -1.6958 -0.1513 -0.1513 1.3948 1.3948 4.1606 4.1606 4.9247 4.9247 6.9719 6.9719 6.9873 6.9873 7.7989 7.7989 9.3946 9.3946 9.9031 9.9031 10.5438 10.5438 k =-0.5000 0.1742 0.6051 ( 3886 PWs) bands (ev): -10.3878 -10.3878 -5.9722 -5.9722 -5.7985 -5.7985 -4.2196 -4.2196 -3.6816 -3.6816 -3.6138 -3.6138 -2.8428 -2.8428 -2.0171 -2.0171 -1.6964 -1.6964 -0.1138 -0.1138 1.4075 1.4075 4.1604 4.1604 4.9168 4.9168 6.9514 6.9514 6.9921 6.9921 7.7499 7.7499 9.3135 9.3135 9.9757 9.9757 10.5875 10.5875 k =-0.5000 0.1742 0.5849 ( 3896 PWs) bands (ev): -10.3888 -10.3888 -5.9724 -5.9724 -5.7983 -5.7983 -4.2199 -4.2199 -3.6806 -3.6806 -3.6137 -3.6137 -2.8902 -2.8902 -1.9889 -1.9889 -1.6972 -1.6972 -0.0685 -0.0685 1.4229 1.4229 4.1602 4.1602 4.9072 4.9072 6.9268 6.9268 6.9975 6.9975 7.6947 7.6947 9.2260 9.2260 10.0560 10.0560 10.6401 10.6401 k =-0.5000 0.1742 0.5648 ( 3900 PWs) bands (ev): -10.3899 -10.3899 -5.9727 -5.9727 -5.7980 -5.7980 -4.2202 -4.2202 -3.6794 -3.6794 -3.6136 -3.6136 -2.9403 -2.9403 -1.9608 -1.9608 -1.6980 -1.6980 -0.0155 -0.0155 1.4409 1.4409 4.1602 4.1602 4.8959 4.8959 6.8985 6.8985 7.0032 7.0032 7.6350 7.6350 9.1335 9.1335 10.1428 10.1428 10.7013 10.7013 k =-0.5000 0.1742 0.5446 ( 3896 PWs) bands (ev): -10.3911 -10.3911 -5.9731 -5.9731 -5.7976 -5.7976 -4.2206 -4.2206 -3.6780 -3.6780 -3.6134 -3.6134 -2.9922 -2.9922 -1.9338 -1.9338 -1.6990 -1.6990 0.0448 0.0448 1.4615 1.4615 4.1603 4.1603 4.8831 4.8831 6.8668 6.8668 7.0086 7.0086 7.5727 7.5727 9.0373 9.0373 10.2349 10.2349 10.7706 10.7706 k =-0.5000 0.1742 0.5244 ( 3886 PWs) bands (ev): -10.3925 -10.3925 -5.9734 -5.9734 -5.7972 -5.7972 -4.2210 -4.2210 -3.6765 -3.6765 -3.6133 -3.6133 -3.0451 -3.0451 -1.9083 -1.9083 -1.7001 -1.7001 0.1120 0.1120 1.4846 1.4846 4.1607 4.1607 4.8687 4.8687 6.8321 6.8321 7.0133 7.0133 7.5092 7.5092 8.9383 8.9383 10.3311 10.3311 10.8476 10.8476 k =-0.5000 0.1742 0.5043 ( 3890 PWs) bands (ev): -10.3941 -10.3941 -5.9739 -5.9739 -5.7967 -5.7967 -4.2215 -4.2215 -3.6749 -3.6749 -3.6131 -3.6131 -3.0981 -3.0981 -1.8846 -1.8846 -1.7012 -1.7012 0.1856 0.1856 1.5102 1.5102 4.1614 4.1614 4.8529 4.8529 6.7945 6.7945 7.0162 7.0162 7.4461 7.4461 8.8376 8.8376 10.4301 10.4301 10.9318 10.9318 k =-0.5000 0.1742 0.4841 ( 3894 PWs) bands (ev): -10.3957 -10.3957 -5.9743 -5.9743 -5.7963 -5.7963 -4.2221 -4.2221 -3.6732 -3.6732 -3.6129 -3.6129 -3.1509 -3.1509 -1.8630 -1.8630 -1.7025 -1.7025 0.2652 0.2652 1.5380 1.5380 4.1625 4.1625 4.8357 4.8357 6.7544 6.7544 7.0163 7.0163 7.3849 7.3849 8.7359 8.7359 10.5309 10.5309 11.0226 11.0226 k =-0.5000 0.1742 0.4639 ( 3888 PWs) bands (ev): -10.3974 -10.3974 -5.9748 -5.9748 -5.7958 -5.7958 -4.2228 -4.2228 -3.6713 -3.6713 -3.6126 -3.6126 -3.2030 -3.2030 -1.8434 -1.8434 -1.7038 -1.7038 0.3503 0.3503 1.5679 1.5679 4.1642 4.1642 4.8172 4.8172 6.7121 6.7121 7.0119 7.0119 7.3273 7.3273 8.6342 8.6342 10.6324 10.6324 11.1193 11.1193 k =-0.5000 0.1742 0.4437 ( 3892 PWs) bands (ev): -10.3992 -10.3992 -5.9753 -5.9753 -5.7953 -5.7953 -4.2235 -4.2235 -3.6694 -3.6694 -3.6123 -3.6123 -3.2542 -3.2542 -1.8258 -1.8258 -1.7052 -1.7052 0.4403 0.4403 1.5999 1.5999 4.1666 4.1666 4.7975 4.7975 6.6677 6.6677 7.0010 7.0010 7.2752 7.2752 8.5335 8.5335 10.7332 10.7332 11.2213 11.2213 k =-0.5000 0.1742 0.4236 ( 3892 PWs) bands (ev): -10.4011 -10.4011 -5.9759 -5.9759 -5.7947 -5.7947 -4.2243 -4.2243 -3.6675 -3.6675 -3.6120 -3.6120 -3.3040 -3.3040 -1.8101 -1.8101 -1.7067 -1.7067 0.5345 0.5345 1.6338 1.6338 4.1699 4.1699 4.7767 4.7767 6.6216 6.6216 6.9817 6.9817 7.2298 7.2298 8.4350 8.4350 10.8322 10.8322 11.3278 11.3278 k =-0.5000 0.1742 0.4034 ( 3892 PWs) bands (ev): -10.4030 -10.4030 -5.9765 -5.9765 -5.7942 -5.7942 -4.2251 -4.2251 -3.6655 -3.6655 -3.6116 -3.6116 -3.3522 -3.3522 -1.7961 -1.7961 -1.7082 -1.7082 0.6325 0.6325 1.6694 1.6694 4.1741 4.1741 4.7549 4.7549 6.5738 6.5738 6.9530 6.9530 7.1913 7.1913 8.3400 8.3400 10.9278 10.9278 11.4296 11.4296 k =-0.5000 0.1742 0.3832 ( 3900 PWs) bands (ev): -10.4050 -10.4050 -5.9771 -5.9771 -5.7937 -5.7937 -4.2260 -4.2260 -3.6635 -3.6635 -3.6112 -3.6112 -3.3988 -3.3988 -1.7839 -1.7839 -1.7097 -1.7097 0.7337 0.7337 1.7064 1.7064 4.1795 4.1795 4.7322 4.7322 6.5246 6.5246 6.9160 6.9160 7.1574 7.1574 8.2503 8.2503 11.0181 11.0181 11.4175 11.4175 k =-0.5000 0.1742 0.3631 ( 3896 PWs) bands (ev): -10.4070 -10.4070 -5.9777 -5.9777 -5.7931 -5.7931 -4.2271 -4.2271 -3.6615 -3.6615 -3.6107 -3.6107 -3.4434 -3.4434 -1.7731 -1.7731 -1.7112 -1.7112 0.8373 0.8373 1.7448 1.7448 4.1863 4.1863 4.7088 4.7088 6.4740 6.4740 6.8731 6.8731 7.1242 7.1242 8.1677 8.1677 11.1007 11.1007 11.4056 11.4056 k =-0.5000 0.1742 0.3429 ( 3900 PWs) bands (ev): -10.4090 -10.4090 -5.9783 -5.9783 -5.7926 -5.7926 -4.2282 -4.2282 -3.6596 -3.6596 -3.6102 -3.6102 -3.4861 -3.4861 -1.7637 -1.7637 -1.7128 -1.7128 0.9427 0.9427 1.7843 1.7843 4.1948 4.1948 4.6848 4.6848 6.4222 6.4222 6.8267 6.8267 7.0878 7.0878 8.0941 8.0941 11.1727 11.1727 11.3939 11.3939 k =-0.5000 0.1742 0.3227 ( 3892 PWs) bands (ev): -10.4109 -10.4109 -5.9789 -5.9789 -5.7921 -5.7921 -4.2293 -4.2293 -3.6577 -3.6577 -3.6096 -3.6096 -3.5265 -3.5265 -1.7555 -1.7555 -1.7143 -1.7143 1.0492 1.0492 1.8246 1.8246 4.2052 4.2052 4.6604 4.6604 6.3692 6.3692 6.7783 6.7783 7.0454 7.0454 8.0312 8.0312 11.2308 11.2308 11.3826 11.3826 k =-0.5000 0.1742 0.3026 ( 3892 PWs) bands (ev): -10.4129 -10.4129 -5.9795 -5.9795 -5.7915 -5.7915 -4.2306 -4.2306 -3.6558 -3.6558 -3.6090 -3.6090 -3.5648 -3.5648 -1.7483 -1.7483 -1.7158 -1.7158 1.1562 1.1562 1.8655 1.8655 4.2177 4.2177 4.6358 4.6358 6.3147 6.3147 6.7289 6.7289 6.9957 6.9957 7.9800 7.9800 11.2719 11.2719 11.3722 11.3722 k =-0.5000 0.1742 0.2824 ( 3884 PWs) bands (ev): -10.4148 -10.4148 -5.9802 -5.9802 -5.7910 -5.7910 -4.2319 -4.2319 -3.6541 -3.6541 -3.6085 -3.6085 -3.6005 -3.6005 -1.7422 -1.7422 -1.7173 -1.7173 1.2628 1.2628 1.9067 1.9067 4.2327 4.2327 4.6113 4.6113 6.2586 6.2586 6.6787 6.6787 6.9393 6.9393 7.9407 7.9407 11.2938 11.2938 11.3627 11.3627 k =-0.5000 0.1742 0.2622 ( 3884 PWs) bands (ev): -10.4167 -10.4167 -5.9808 -5.9808 -5.7905 -5.7905 -4.2333 -4.2333 -3.6525 -3.6525 -3.6343 -3.6343 -3.6075 -3.6075 -1.7369 -1.7369 -1.7187 -1.7187 1.3681 1.3681 1.9479 1.9479 4.2504 4.2504 4.5871 4.5871 6.2001 6.2001 6.6272 6.6272 6.8783 6.8783 7.9122 7.9122 11.2977 11.2977 11.3532 11.3532 k =-0.5000 0.1742 0.2420 ( 3888 PWs) bands (ev): -10.4185 -10.4185 -5.9814 -5.9814 -5.7901 -5.7901 -4.2347 -4.2347 -3.6655 -3.6655 -3.6507 -3.6507 -3.6068 -3.6068 -1.7325 -1.7325 -1.7200 -1.7200 1.4713 1.4713 1.9888 1.9888 4.2711 4.2711 4.5638 4.5638 6.1384 6.1384 6.5741 6.5741 6.8162 6.8162 7.8932 7.8932 11.2871 11.2871 11.3424 11.3424 k =-0.5000 0.1742 0.2219 ( 3886 PWs) bands (ev): -10.4202 -10.4202 -5.9820 -5.9820 -5.7897 -5.7897 -4.2362 -4.2362 -3.6941 -3.6941 -3.6494 -3.6494 -3.6060 -3.6060 -1.7288 -1.7288 -1.7211 -1.7211 1.5714 1.5714 2.0292 2.0292 4.2948 4.2948 4.5420 4.5420 6.0723 6.0723 6.5189 6.5189 6.7566 6.7566 7.8819 7.8819 11.2650 11.2650 11.3309 11.3309 k =-0.5000 0.1742 0.2017 ( 3882 PWs) bands (ev): -10.4218 -10.4218 -5.9825 -5.9825 -5.7893 -5.7893 -4.2377 -4.2377 -3.7201 -3.7201 -3.6481 -3.6481 -3.6052 -3.6052 -1.7261 -1.7261 -1.7216 -1.7216 1.6673 1.6673 2.0686 2.0686 4.3211 4.3211 4.5229 4.5229 6.0005 6.0005 6.4625 6.4625 6.7026 6.7026 7.8764 7.8764 11.2342 11.2342 11.3202 11.3202 k =-0.5000 0.1742 0.1815 ( 3882 PWs) bands (ev): -10.4233 -10.4233 -5.9830 -5.9830 -5.7889 -5.7889 -4.2392 -4.2392 -3.7437 -3.7437 -3.6470 -3.6470 -3.6045 -3.6045 -1.7254 -1.7254 -1.7208 -1.7208 1.7579 1.7579 2.1067 2.1067 4.3483 4.3483 4.5090 4.5090 5.9219 5.9219 6.4066 6.4066 6.6556 6.6556 7.8753 7.8753 11.1981 11.1981 11.3106 11.3106 k =-0.5000 0.1742 0.1614 ( 3886 PWs) bands (ev): -10.4246 -10.4246 -5.9835 -5.9835 -5.7886 -5.7886 -4.2407 -4.2407 -3.7647 -3.7647 -3.6460 -3.6460 -3.6037 -3.6037 -1.7259 -1.7259 -1.7190 -1.7190 1.8419 1.8419 2.1433 2.1433 4.3718 4.3718 4.5057 4.5057 5.8357 5.8357 6.3537 6.3537 6.6157 6.6157 7.8770 7.8770 11.1599 11.1599 11.3022 11.3022 k =-0.5000 0.1742 0.1412 ( 3882 PWs) bands (ev): -10.4259 -10.4259 -5.9840 -5.9840 -5.7882 -5.7882 -4.2421 -4.2421 -3.7832 -3.7832 -3.6451 -3.6451 -3.6030 -3.6030 -1.7266 -1.7266 -1.7172 -1.7172 1.9182 1.9182 2.1781 2.1781 4.3841 4.3841 4.5214 4.5214 5.7423 5.7423 6.3061 6.3061 6.5823 6.5823 7.8807 7.8807 11.1221 11.1221 11.2948 11.2948 k =-0.5000 0.1742 0.1210 ( 3892 PWs) bands (ev): -10.4269 -10.4269 -5.9844 -5.9844 -5.7880 -5.7880 -4.2434 -4.2434 -3.7992 -3.7992 -3.6443 -3.6443 -3.6024 -3.6024 -1.7274 -1.7274 -1.7157 -1.7157 1.9855 1.9855 2.2107 2.2107 4.3836 4.3836 4.5585 4.5585 5.6427 5.6427 6.2649 6.2649 6.5545 6.5545 7.8853 7.8853 11.0866 11.0866 11.2884 11.2884 k =-0.5000 0.1742 0.1009 ( 3896 PWs) bands (ev): -10.4279 -10.4279 -5.9847 -5.9847 -5.7878 -5.7878 -4.2446 -4.2446 -3.8126 -3.8126 -3.6437 -3.6437 -3.6018 -3.6018 -1.7281 -1.7281 -1.7144 -1.7144 2.0428 2.0428 2.2406 2.2406 4.3763 4.3763 4.6114 4.6114 5.5386 5.5386 6.2306 6.2306 6.5317 6.5317 7.8903 7.8903 11.0548 11.0548 11.2830 11.2830 k =-0.5000 0.1742 0.0807 ( 3896 PWs) bands (ev): -10.4287 -10.4287 -5.9850 -5.9850 -5.7876 -5.7876 -4.2456 -4.2456 -3.8236 -3.8236 -3.6432 -3.6432 -3.6013 -3.6013 -1.7287 -1.7287 -1.7134 -1.7134 2.0895 2.0895 2.2674 2.2674 4.3673 4.3673 4.6757 4.6757 5.4321 5.4321 6.2030 6.2030 6.5136 6.5136 7.8950 7.8950 11.0277 11.0277 11.2785 11.2785 k =-0.5000 0.1742 0.0605 ( 3892 PWs) bands (ev): -10.4293 -10.4293 -5.9852 -5.9852 -5.7874 -5.7874 -4.2465 -4.2465 -3.8321 -3.8321 -3.6428 -3.6428 -3.6008 -3.6008 -1.7291 -1.7291 -1.7126 -1.7126 2.1252 2.1252 2.2900 2.2900 4.3589 4.3589 4.7493 4.7493 5.3248 5.3248 6.1819 6.1819 6.4996 6.4996 7.8991 7.8991 11.0060 11.0060 11.2750 11.2750 k =-0.5000 0.1742 0.0403 ( 3888 PWs) bands (ev): -10.4297 -10.4297 -5.9854 -5.9854 -5.7873 -5.7873 -4.2471 -4.2471 -3.8382 -3.8382 -3.6425 -3.6425 -3.6005 -3.6005 -1.7295 -1.7295 -1.7121 -1.7121 2.1502 2.1502 2.3074 2.3074 4.3523 4.3523 4.8307 4.8307 5.2185 5.2185 6.1671 6.1671 6.4898 6.4898 7.9022 7.9022 10.9902 10.9902 11.2725 11.2725 k =-0.5000 0.1742 0.0202 ( 3870 PWs) bands (ev): -10.4300 -10.4300 -5.9855 -5.9855 -5.7873 -5.7873 -4.2475 -4.2475 -3.8418 -3.8418 -3.6423 -3.6423 -3.6003 -3.6003 -1.7297 -1.7297 -1.7118 -1.7118 2.1650 2.1650 2.3183 2.3183 4.3482 4.3482 4.9191 4.9191 5.1151 5.1151 6.1583 6.1583 6.4840 6.4840 7.9042 7.9042 10.9806 10.9806 11.2710 11.2710 k =-0.5000 0.1742 0.0000 ( 3880 PWs) bands (ev): -10.4301 -10.4301 -5.9855 -5.9855 -5.7872 -5.7872 -4.2476 -4.2476 -3.8430 -3.8430 -3.6423 -3.6423 -3.6003 -3.6003 -1.7297 -1.7297 -1.7117 -1.7117 2.1698 2.1698 2.3221 2.3221 4.3467 4.3467 5.0032 5.0032 5.0258 5.0258 6.1554 6.1554 6.4820 6.4820 7.9048 7.9048 10.9774 10.9774 11.2705 11.2705 k = 0.0000 0.0000 0.7060 ( 3898 PWs) bands (ev): -10.4513 -10.4513 -5.8276 -5.8276 -5.7843 -5.7843 -3.7533 -3.7533 -3.6770 -3.6770 -3.6055 -3.6055 -3.0073 -3.0073 -2.1978 -2.1978 -1.6067 -1.6067 -0.2809 -0.2809 1.6602 1.6602 1.8579 1.8579 5.9499 5.9499 6.8700 6.8700 7.4603 7.4603 7.9509 7.9509 8.7767 8.7767 10.0526 10.0526 10.8939 10.8939 k =-0.0185 0.0065 0.7060 ( 3898 PWs) bands (ev): -10.4511 -10.4511 -5.8279 -5.8279 -5.7845 -5.7845 -3.7553 -3.7553 -3.6772 -3.6772 -3.6061 -3.6061 -3.0051 -3.0051 -2.1975 -2.1975 -1.6070 -1.6070 -0.2807 -0.2807 1.6613 1.6613 1.8602 1.8602 5.9527 5.9527 6.8683 6.8683 7.4591 7.4591 7.9506 7.9506 8.7790 8.7790 10.0547 10.0547 10.8850 10.8850 k =-0.0370 0.0129 0.7060 ( 3890 PWs) bands (ev): -10.4505 -10.4505 -5.8288 -5.8288 -5.7850 -5.7850 -3.7616 -3.7616 -3.6777 -3.6777 -3.6077 -3.6077 -2.9989 -2.9989 -2.1966 -2.1966 -1.6079 -1.6079 -0.2800 -0.2800 1.6640 1.6640 1.8673 1.8673 5.9610 5.9610 6.8632 6.8632 7.4555 7.4555 7.9497 7.9497 8.7858 8.7858 10.0608 10.0608 10.8588 10.8588 k =-0.0556 0.0194 0.7060 ( 3894 PWs) bands (ev): -10.4494 -10.4494 -5.8302 -5.8302 -5.7860 -5.7860 -3.7721 -3.7721 -3.6785 -3.6785 -3.6100 -3.6100 -2.9890 -2.9890 -2.1951 -2.1951 -1.6093 -1.6093 -0.2790 -0.2790 1.6669 1.6669 1.8809 1.8809 5.9748 5.9748 6.8545 6.8545 7.4496 7.4496 7.9483 7.9483 8.7971 8.7971 10.0708 10.0708 10.8166 10.8166 k =-0.0741 0.0258 0.7060 ( 3892 PWs) bands (ev): -10.4479 -10.4479 -5.8324 -5.8324 -5.7872 -5.7872 -3.7867 -3.7867 -3.6793 -3.6793 -3.6124 -3.6124 -2.9759 -2.9759 -2.1931 -2.1931 -1.6113 -1.6113 -0.2776 -0.2776 1.6683 1.6683 1.9026 1.9026 5.9937 5.9937 6.8420 6.8420 7.4415 7.4415 7.9464 7.9464 8.8127 8.8127 10.0843 10.0843 10.7603 10.7603 k =-0.0926 0.0323 0.7060 ( 3894 PWs) bands (ev): -10.4461 -10.4461 -5.8352 -5.8352 -5.7885 -5.7885 -3.8053 -3.8053 -3.6801 -3.6801 -3.6146 -3.6146 -2.9605 -2.9605 -2.1905 -2.1905 -1.6139 -1.6139 -0.2758 -0.2758 1.6667 1.6667 1.9339 1.9339 6.0177 6.0177 6.8253 6.8253 7.4313 7.4313 7.9441 7.9441 8.8326 8.8326 10.1010 10.1010 10.6924 10.6924 k =-0.1111 0.0387 0.7060 ( 3894 PWs) bands (ev): -10.4439 -10.4439 -5.8389 -5.8389 -5.7899 -5.7899 -3.8271 -3.8271 -3.6808 -3.6808 -3.6165 -3.6165 -2.9434 -2.9434 -2.1875 -2.1875 -1.6169 -1.6169 -0.2736 -0.2736 1.6613 1.6613 1.9756 1.9756 6.0464 6.0464 6.8038 6.8038 7.4193 7.4193 7.9413 7.9413 8.8565 8.8565 10.1201 10.1201 10.6162 10.6162 k =-0.1296 0.0452 0.7060 ( 3882 PWs) bands (ev): -10.4413 -10.4413 -5.8433 -5.8433 -5.7913 -5.7913 -3.8515 -3.8515 -3.6813 -3.6813 -3.6179 -3.6179 -2.9251 -2.9251 -2.1839 -2.1839 -1.6204 -1.6204 -0.2711 -0.2711 1.6523 1.6523 2.0276 2.0276 6.0794 6.0794 6.7772 6.7772 7.4057 7.4057 7.9381 7.9381 8.8843 8.8843 10.1399 10.1399 10.5356 10.5356 k =-0.1481 0.0516 0.7060 ( 3878 PWs) bands (ev): -10.4384 -10.4384 -5.8487 -5.8487 -5.7925 -5.7925 -3.8778 -3.8778 -3.6818 -3.6818 -3.6189 -3.6189 -2.9064 -2.9064 -2.1799 -2.1799 -1.6243 -1.6243 -0.2684 -0.2684 1.6402 1.6402 2.0895 2.0895 6.1163 6.1163 6.7448 6.7448 7.3906 7.3906 7.9347 7.9347 8.9157 8.9157 10.1576 10.1576 10.4563 10.4563 k =-0.1667 0.0581 0.7060 ( 3878 PWs) bands (ev): -10.4353 -10.4353 -5.8548 -5.8548 -5.7937 -5.7937 -3.9054 -3.9054 -3.6822 -3.6822 -3.6195 -3.6195 -2.8875 -2.8875 -2.1756 -2.1756 -1.6285 -1.6285 -0.2653 -0.2653 1.6254 1.6254 2.1606 2.1606 6.1565 6.1565 6.7060 6.7060 7.3743 7.3743 7.9311 7.9311 8.9504 8.9504 10.1651 10.1651 10.3885 10.3885 k =-0.1852 0.0645 0.7060 ( 3878 PWs) bands (ev): -10.4319 -10.4319 -5.8617 -5.8617 -5.7947 -5.7947 -3.9335 -3.9335 -3.6825 -3.6825 -3.6199 -3.6199 -2.8689 -2.8689 -2.1710 -2.1710 -1.6331 -1.6331 -0.2621 -0.2621 1.6087 1.6087 2.2404 2.2404 6.1993 6.1993 6.6604 6.6604 7.3570 7.3570 7.9273 7.9273 8.9880 8.9880 10.1469 10.1469 10.3502 10.3502 k =-0.2037 0.0710 0.7060 ( 3874 PWs) bands (ev): -10.4284 -10.4284 -5.8693 -5.8693 -5.7955 -5.7955 -3.9617 -3.9617 -3.6827 -3.6827 -3.6200 -3.6200 -2.8509 -2.8509 -2.1660 -2.1660 -1.6379 -1.6379 -0.2587 -0.2587 1.5905 1.5905 2.3282 2.3282 6.2435 6.2435 6.6079 6.6079 7.3390 7.3390 7.9235 7.9235 9.0282 9.0282 10.0975 10.0975 10.3488 10.3488 k =-0.2222 0.0774 0.7060 ( 3882 PWs) bands (ev): -10.4247 -10.4247 -5.8774 -5.8774 -5.7962 -5.7962 -3.9896 -3.9896 -3.6830 -3.6830 -3.6199 -3.6199 -2.8337 -2.8337 -2.1609 -2.1609 -1.6429 -1.6429 -0.2551 -0.2551 1.5713 1.5713 2.4236 2.4236 6.2870 6.2870 6.5497 6.5497 7.3203 7.3203 7.9197 7.9197 9.0704 9.0704 10.0337 10.0337 10.3693 10.3693 k =-0.2407 0.0839 0.7060 ( 3886 PWs) bands (ev): -10.4209 -10.4209 -5.8859 -5.8859 -5.7968 -5.7968 -4.0167 -4.0167 -3.6831 -3.6831 -3.6196 -3.6196 -2.8174 -2.8174 -2.1557 -2.1557 -1.6479 -1.6479 -0.2515 -0.2515 1.5516 1.5516 2.5261 2.5261 6.3223 6.3223 6.4923 6.4923 7.3012 7.3012 7.9160 7.9160 9.1142 9.1142 9.9694 9.9694 10.3992 10.3992 k =-0.2593 0.0903 0.7060 ( 3888 PWs) bands (ev): -10.4171 -10.4171 -5.8946 -5.8946 -5.7973 -5.7973 -4.0428 -4.0428 -3.6833 -3.6833 -3.6192 -3.6192 -2.8021 -2.8021 -2.1504 -2.1504 -1.6531 -1.6531 -0.2479 -0.2479 1.5316 1.5316 2.6352 2.6352 6.3205 6.3205 6.4636 6.4636 7.2818 7.2818 7.9126 7.9126 9.1588 9.1588 9.9108 9.9108 10.4334 10.4334 k =-0.2778 0.0968 0.7060 ( 3880 PWs) bands (ev): -10.4133 -10.4133 -5.9035 -5.9035 -5.7977 -5.7977 -4.0676 -4.0676 -3.6834 -3.6834 -3.6188 -3.6188 -2.7880 -2.7880 -2.1452 -2.1452 -1.6581 -1.6581 -0.2443 -0.2443 1.5118 1.5118 2.7503 2.7503 6.2582 6.2582 6.4867 6.4867 7.2623 7.2623 7.9094 7.9094 9.2037 9.2037 9.8608 9.8608 10.4695 10.4695 k =-0.2963 0.1032 0.7060 ( 3880 PWs) bands (ev): -10.4095 -10.4095 -5.9124 -5.9124 -5.7980 -5.7980 -4.0909 -4.0909 -3.6835 -3.6835 -3.6183 -3.6183 -2.7750 -2.7750 -2.1400 -2.1400 -1.6631 -1.6631 -0.2408 -0.2408 1.4924 1.4924 2.8709 2.8709 6.1664 6.1664 6.5302 6.5302 7.2426 7.2426 7.9065 7.9065 9.2480 9.2480 9.8207 9.8207 10.5064 10.5064 k =-0.3148 0.1097 0.7060 ( 3872 PWs) bands (ev): -10.4059 -10.4059 -5.9211 -5.9211 -5.7983 -5.7983 -4.1125 -4.1125 -3.6836 -3.6836 -3.6177 -3.6177 -2.7632 -2.7632 -2.1349 -2.1349 -1.6680 -1.6680 -0.2373 -0.2373 1.4737 1.4737 2.9965 2.9965 6.0607 6.0607 6.5787 6.5787 7.2228 7.2228 7.9040 7.9040 9.2910 9.2910 9.7911 9.7911 10.5431 10.5431 k =-0.3333 0.1161 0.7060 ( 3876 PWs) bands (ev): -10.4024 -10.4024 -5.9295 -5.9295 -5.7985 -5.7985 -4.1323 -4.1323 -3.6837 -3.6837 -3.6171 -3.6171 -2.7526 -2.7526 -2.1302 -2.1302 -1.6726 -1.6726 -0.2341 -0.2341 1.4560 1.4560 3.1264 3.1264 5.9452 5.9452 6.6281 6.6281 7.2028 7.2028 7.9020 7.9020 9.3321 9.3321 9.7716 9.7716 10.5786 10.5786 k =-0.3519 0.1226 0.7060 ( 3880 PWs) bands (ev): -10.3992 -10.3992 -5.9375 -5.9375 -5.7987 -5.7987 -4.1503 -4.1503 -3.6838 -3.6838 -3.6166 -3.6166 -2.7431 -2.7431 -2.1256 -2.1256 -1.6769 -1.6769 -0.2311 -0.2311 1.4395 1.4395 3.2599 3.2599 5.8222 5.8222 6.6771 6.6771 7.1827 7.1827 7.9003 7.9003 9.3711 9.3711 9.7608 9.7608 10.6106 10.6106 k =-0.3704 0.1290 0.7060 ( 3888 PWs) bands (ev): -10.3962 -10.3962 -5.9449 -5.9449 -5.7988 -5.7988 -4.1662 -4.1662 -3.6838 -3.6838 -3.6160 -3.6160 -2.7349 -2.7349 -2.1215 -2.1215 -1.6808 -1.6808 -0.2283 -0.2283 1.4245 1.4245 3.3961 3.3961 5.6933 5.6933 6.7247 6.7247 7.1624 7.1624 7.8990 7.8990 9.4080 9.4080 9.7566 9.7566 10.6315 10.6315 k =-0.3889 0.1355 0.7060 ( 3880 PWs) bands (ev): -10.3935 -10.3935 -5.9516 -5.9516 -5.7989 -5.7989 -4.1801 -4.1801 -3.6839 -3.6839 -3.6155 -3.6155 -2.7278 -2.7278 -2.1178 -2.1178 -1.6843 -1.6843 -0.2258 -0.2258 1.4111 1.4111 3.5338 3.5338 5.5604 5.5604 6.7704 6.7704 7.1416 7.1416 7.8980 7.8980 9.4432 9.4432 9.7560 9.7560 10.6191 10.6191 k =-0.4074 0.1419 0.7060 ( 3884 PWs) bands (ev): -10.3912 -10.3912 -5.9575 -5.9575 -5.7990 -5.7990 -4.1919 -4.1919 -3.6839 -3.6839 -3.6151 -3.6151 -2.7218 -2.7218 -2.1145 -2.1145 -1.6874 -1.6874 -0.2236 -0.2236 1.3995 1.3995 3.6714 3.6714 5.4258 5.4258 6.8138 6.8138 7.1202 7.1202 7.8974 7.8974 9.4772 9.4772 9.7561 9.7561 10.5791 10.5791 k =-0.4259 0.1484 0.7060 ( 3896 PWs) bands (ev): -10.3892 -10.3892 -5.9625 -5.9625 -5.7991 -5.7991 -4.2017 -4.2017 -3.6840 -3.6840 -3.6147 -3.6147 -2.7170 -2.7170 -2.1118 -2.1118 -1.6900 -1.6900 -0.2218 -0.2218 1.3898 1.3898 3.8062 3.8062 5.2926 5.2926 6.8547 6.8547 7.0981 7.0981 7.8970 7.8970 9.5101 9.5101 9.7539 9.7539 10.5386 10.5386 k =-0.4444 0.1548 0.7060 ( 3896 PWs) bands (ev): -10.3876 -10.3876 -5.9664 -5.9664 -5.7991 -5.7991 -4.2092 -4.2092 -3.6840 -3.6840 -3.6144 -3.6144 -2.7132 -2.7132 -2.1096 -2.1096 -1.6920 -1.6920 -0.2204 -0.2204 1.3821 1.3821 3.9340 3.9340 5.1656 5.1656 6.8928 6.8928 7.0750 7.0750 7.8967 7.8967 9.5417 9.5417 9.7477 9.7477 10.5059 10.5059 k =-0.4630 0.1613 0.7060 ( 3894 PWs) bands (ev): -10.3865 -10.3865 -5.9693 -5.9693 -5.7992 -5.7992 -4.2146 -4.2146 -3.6840 -3.6840 -3.6142 -3.6142 -2.7105 -2.7105 -2.1081 -2.1081 -1.6935 -1.6935 -0.2194 -0.2194 1.3766 1.3766 4.0467 4.0467 5.0533 5.0533 6.9279 6.9279 7.0509 7.0509 7.8966 7.8966 9.5703 9.5703 9.7378 9.7378 10.4827 10.4827 k =-0.4815 0.1677 0.7060 ( 3886 PWs) bands (ev): -10.3858 -10.3858 -5.9710 -5.9710 -5.7992 -5.7992 -4.2179 -4.2179 -3.6840 -3.6840 -3.6140 -3.6140 -2.7089 -2.7089 -2.1071 -2.1071 -1.6944 -1.6944 -0.2187 -0.2187 1.3732 1.3732 4.1294 4.1294 4.9706 4.9706 6.9591 6.9591 7.0263 7.0263 7.8966 7.8966 9.5922 9.5922 9.7271 9.7271 10.4691 10.4691 k =-0.5000 0.1742 0.7060 ( 3896 PWs) bands (ev): -10.3856 -10.3856 -5.9716 -5.9716 -5.7992 -5.7992 -4.2190 -4.2190 -3.6841 -3.6841 -3.6140 -3.6140 -2.7084 -2.7084 -2.1068 -2.1068 -1.6947 -1.6947 -0.2185 -0.2185 1.3721 1.3721 4.1611 4.1611 4.9389 4.9389 6.9780 6.9780 7.0097 7.0097 7.8966 7.8966 9.6009 9.6009 9.7221 9.7221 10.4646 10.4646 Writing output data file TlSbSe2.save init_run : 0.27s CPU 0.42s WALL ( 1 calls) electrons : 140.25s CPU 142.07s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.06s WALL ( 1 calls) Called by electrons: c_bands : 140.24s CPU 142.06s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.05s CPU 0.06s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.05s WALL ( 388 calls) cegterg : 124.85s CPU 126.27s WALL ( 447 calls) Called by sum_band: Called by *egterg: h_psi : 88.44s CPU 89.77s WALL ( 7929 calls) s_psi : 3.08s CPU 3.15s WALL ( 7929 calls) g_psi : 0.14s CPU 0.17s WALL ( 7094 calls) cdiaghg : 33.72s CPU 34.11s WALL ( 7482 calls) cegterg:over : 3.49s CPU 3.48s WALL ( 7094 calls) cegterg:upda : 2.98s CPU 2.92s WALL ( 7094 calls) cegterg:last : 1.56s CPU 1.59s WALL ( 1223 calls) cdiaghg:chol : 1.88s CPU 1.86s WALL ( 7482 calls) cdiaghg:inve : 0.94s CPU 0.94s WALL ( 7482 calls) cdiaghg:para : 1.94s CPU 1.94s WALL ( 14964 calls) Called by h_psi: h_psi:vloc : 82.70s CPU 83.92s WALL ( 7929 calls) h_psi:vnl : 5.58s CPU 5.70s WALL ( 7929 calls) add_vuspsi : 2.85s CPU 2.80s WALL ( 7929 calls) General routines calbec : 2.70s CPU 2.88s WALL ( 7929 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 77.91s CPU 79.07s WALL ( 612080 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.23s CPU 0.19s WALL ( 776 calls) Parallel routines fft_scatter : 20.03s CPU 20.45s WALL ( 612103 calls) PWSCF : 2m34.51s CPU 2m53.63s WALL This run was terminated on: 21:16:45 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=