Program PWSCF v.5.1.1 starts on 21Jul2015 at 7:12:25 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 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./ScGe.save/ file Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 3P 3P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 48 24 7 1450 518 85 Max 49 25 8 1453 531 88 Sum 2309 1175 351 69677 25163 4103 bravais-lattice index = 14 lattice parameter (alat) = 10.2316 a.u. unit-cell volume = 511.6849 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 30.00 number of Kohn-Sham states= 38 kinetic-energy cutoff = 51.0000 Ry charge density cutoff = 402.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 10.231590 celldm(2)= 1.000000 celldm(3)= 0.694823 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.726145 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.726145 0.687541 0.000000 ) a(3) = ( 0.000000 0.000000 0.694823 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.056148 -0.000000 ) b(2) = ( 0.000000 1.454458 -0.000000 ) b(3) = ( 0.000000 0.000000 1.439214 ) PseudoPot. # 1 for Ge read from file: /home/autes/Pseudo/Ge.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 069ab8842bb693aa9ce6e533f48e0b78 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1207 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. # 2 for Sc read from file: /home/autes/Pseudo/Sc.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: e27f768e72ba10e20459589e24f2b6a7 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1173 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 Ge 4.00 72.64000 Ge( 1.00) Sc 11.00 44.95590 Sc( 1.00) 2 Sym. Ops., with inversion, found (note: 2 additional sym.ops. were found but ignored their fractional translations are incommensurate with FFT grid) 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 inversion 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 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 436 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 2) = ( 0.0062970 0.0158093 -0.0000000), wk = 0.0022936 k( 3) = ( 0.0125940 0.0316187 -0.0000000), wk = 0.0022936 k( 4) = ( 0.0188910 0.0474280 -0.0000000), wk = 0.0022936 k( 5) = ( 0.0251881 0.0632373 -0.0000000), wk = 0.0022936 k( 6) = ( 0.0314851 0.0790466 -0.0000000), wk = 0.0022936 k( 7) = ( 0.0377821 0.0948560 -0.0000000), wk = 0.0022936 k( 8) = ( 0.0440791 0.1106653 -0.0000000), wk = 0.0022936 k( 9) = ( 0.0503761 0.1264746 -0.0000000), wk = 0.0022936 k( 10) = ( 0.0566731 0.1422840 -0.0000000), wk = 0.0022936 k( 11) = ( 0.0629702 0.1580933 -0.0000000), wk = 0.0022936 k( 12) = ( 0.0692672 0.1739026 -0.0000000), wk = 0.0022936 k( 13) = ( 0.0755642 0.1897119 -0.0000000), wk = 0.0022936 k( 14) = ( 0.0818612 0.2055213 -0.0000000), wk = 0.0022936 k( 15) = ( 0.0881582 0.2213306 -0.0000000), wk = 0.0022936 k( 16) = ( 0.0944552 0.2371399 -0.0000000), wk = 0.0022936 k( 17) = ( 0.1007523 0.2529493 -0.0000000), wk = 0.0022936 k( 18) = ( 0.1070493 0.2687586 -0.0000000), wk = 0.0022936 k( 19) = ( 0.1133463 0.2845679 -0.0000000), wk = 0.0022936 k( 20) = ( 0.1196433 0.3003773 -0.0000000), wk = 0.0022936 k( 21) = ( 0.1259403 0.3161866 -0.0000000), wk = 0.0022936 k( 22) = ( 0.1322373 0.3319959 -0.0000000), wk = 0.0022936 k( 23) = ( 0.1385344 0.3478052 -0.0000000), wk = 0.0022936 k( 24) = ( 0.1448314 0.3636146 -0.0000000), wk = 0.0022936 k( 25) = ( 0.1511284 0.3794239 -0.0000000), wk = 0.0022936 k( 26) = ( 0.1574254 0.3952332 -0.0000000), wk = 0.0022936 k( 27) = ( 0.1637224 0.4110426 -0.0000000), wk = 0.0022936 k( 28) = ( 0.1700194 0.4268519 -0.0000000), wk = 0.0022936 k( 29) = ( 0.1763165 0.4426612 -0.0000000), wk = 0.0022936 k( 30) = ( 0.1826135 0.4584706 -0.0000000), wk = 0.0022936 k( 31) = ( 0.1889105 0.4742799 -0.0000000), wk = 0.0022936 k( 32) = ( 0.1952075 0.4900892 -0.0000000), wk = 0.0022936 k( 33) = ( 0.2015045 0.5058985 -0.0000000), wk = 0.0022936 k( 34) = ( 0.2078015 0.5217079 -0.0000000), wk = 0.0022936 k( 35) = ( 0.2140985 0.5375172 -0.0000000), wk = 0.0022936 k( 36) = ( 0.2203956 0.5533265 -0.0000000), wk = 0.0022936 k( 37) = ( 0.2266926 0.5691359 -0.0000000), wk = 0.0022936 k( 38) = ( 0.2329896 0.5849452 -0.0000000), wk = 0.0022936 k( 39) = ( 0.2392866 0.6007545 -0.0000000), wk = 0.0022936 k( 40) = ( 0.2455836 0.6165638 -0.0000000), wk = 0.0022936 k( 41) = ( 0.2518806 0.6323732 -0.0000000), wk = 0.0022936 k( 42) = ( 0.2581777 0.6481825 -0.0000000), wk = 0.0022936 k( 43) = ( 0.2644747 0.6639918 -0.0000000), wk = 0.0022936 k( 44) = ( 0.2707717 0.6798011 -0.0000000), wk = 0.0022936 k( 45) = ( 0.2770687 0.6956105 -0.0000000), wk = 0.0022936 k( 46) = ( 0.2833657 0.7114198 -0.0000000), wk = 0.0022936 k( 47) = ( 0.2896627 0.7272291 -0.0000000), wk = 0.0022936 k( 48) = ( 0.2896627 0.7272291 -0.0000000), wk = 0.0022936 k( 49) = ( 0.2726238 0.7272291 -0.0000000), wk = 0.0022936 k( 50) = ( 0.2555848 0.7272291 -0.0000000), wk = 0.0022936 k( 51) = ( 0.2385458 0.7272291 -0.0000000), wk = 0.0022936 k( 52) = ( 0.2215068 0.7272291 -0.0000000), wk = 0.0022936 k( 53) = ( 0.2044678 0.7272291 -0.0000000), wk = 0.0022936 k( 54) = ( 0.1874288 0.7272291 -0.0000000), wk = 0.0022936 k( 55) = ( 0.1703899 0.7272291 -0.0000000), wk = 0.0022936 k( 56) = ( 0.1533509 0.7272291 -0.0000000), wk = 0.0022936 k( 57) = ( 0.1363119 0.7272291 -0.0000000), wk = 0.0022936 k( 58) = ( 0.1192729 0.7272291 -0.0000000), wk = 0.0022936 k( 59) = ( 0.1022339 0.7272291 -0.0000000), wk = 0.0022936 k( 60) = ( 0.0851949 0.7272291 -0.0000000), wk = 0.0022936 k( 61) = ( 0.0681559 0.7272291 -0.0000000), wk = 0.0022936 k( 62) = ( 0.0511170 0.7272291 -0.0000000), wk = 0.0022936 k( 63) = ( 0.0340780 0.7272291 -0.0000000), wk = 0.0022936 k( 64) = ( 0.0170390 0.7272291 -0.0000000), wk = 0.0022936 k( 65) = ( 0.0000000 0.7272291 -0.0000000), wk = 0.0022936 k( 66) = ( 0.0000000 0.7272291 -0.0000000), wk = 0.0022936 k( 67) = ( 0.0000000 0.7272291 0.0171335), wk = 0.0022936 k( 68) = ( 0.0000000 0.7272291 0.0342670), wk = 0.0022936 k( 69) = ( 0.0000000 0.7272291 0.0514005), wk = 0.0022936 k( 70) = ( 0.0000000 0.7272291 0.0685340), wk = 0.0022936 k( 71) = ( 0.0000000 0.7272291 0.0856675), wk = 0.0022936 k( 72) = ( 0.0000000 0.7272291 0.1028010), wk = 0.0022936 k( 73) = ( 0.0000000 0.7272291 0.1199345), wk = 0.0022936 k( 74) = ( 0.0000000 0.7272291 0.1370680), wk = 0.0022936 k( 75) = ( 0.0000000 0.7272291 0.1542016), wk = 0.0022936 k( 76) = ( 0.0000000 0.7272291 0.1713351), wk = 0.0022936 k( 77) = ( 0.0000000 0.7272291 0.1884686), wk = 0.0022936 k( 78) = ( 0.0000000 0.7272291 0.2056021), wk = 0.0022936 k( 79) = ( 0.0000000 0.7272291 0.2227356), wk = 0.0022936 k( 80) = ( 0.0000000 0.7272291 0.2398691), wk = 0.0022936 k( 81) = ( 0.0000000 0.7272291 0.2570026), wk = 0.0022936 k( 82) = ( 0.0000000 0.7272291 0.2741361), wk = 0.0022936 k( 83) = ( 0.0000000 0.7272291 0.2912696), wk = 0.0022936 k( 84) = ( 0.0000000 0.7272291 0.3084031), wk = 0.0022936 k( 85) = ( 0.0000000 0.7272291 0.3255366), wk = 0.0022936 k( 86) = ( 0.0000000 0.7272291 0.3426701), wk = 0.0022936 k( 87) = ( 0.0000000 0.7272291 0.3598036), wk = 0.0022936 k( 88) = ( 0.0000000 0.7272291 0.3769371), wk = 0.0022936 k( 89) = ( 0.0000000 0.7272291 0.3940706), wk = 0.0022936 k( 90) = ( 0.0000000 0.7272291 0.4112041), wk = 0.0022936 k( 91) = ( 0.0000000 0.7272291 0.4283376), wk = 0.0022936 k( 92) = ( 0.0000000 0.7272291 0.4454711), wk = 0.0022936 k( 93) = ( 0.0000000 0.7272291 0.4626046), wk = 0.0022936 k( 94) = ( 0.0000000 0.7272291 0.4797381), wk = 0.0022936 k( 95) = ( 0.0000000 0.7272291 0.4968717), wk = 0.0022936 k( 96) = ( 0.0000000 0.7272291 0.5140052), wk = 0.0022936 k( 97) = ( 0.0000000 0.7272291 0.5311387), wk = 0.0022936 k( 98) = ( 0.0000000 0.7272291 0.5482722), wk = 0.0022936 k( 99) = ( 0.0000000 0.7272291 0.5654057), wk = 0.0022936 k( 100) = ( 0.0000000 0.7272291 0.5825392), wk = 0.0022936 k( 101) = ( 0.0000000 0.7272291 0.5996727), wk = 0.0022936 k( 102) = ( 0.0000000 0.7272291 0.6168062), wk = 0.0022936 k( 103) = ( 0.0000000 0.7272291 0.6339397), wk = 0.0022936 k( 104) = ( 0.0000000 0.7272291 0.6510732), wk = 0.0022936 k( 105) = ( 0.0000000 0.7272291 0.6682067), wk = 0.0022936 k( 106) = ( 0.0000000 0.7272291 0.6853402), wk = 0.0022936 k( 107) = ( 0.0000000 0.7272291 0.7024737), wk = 0.0022936 k( 108) = ( 0.0000000 0.7272291 0.7196072), wk = 0.0022936 k( 109) = ( 0.0000000 0.7272291 0.7196072), wk = 0.0022936 k( 110) = ( 0.0170390 0.7272291 0.7196072), wk = 0.0022936 k( 111) = ( 0.0340780 0.7272291 0.7196072), wk = 0.0022936 k( 112) = ( 0.0511170 0.7272291 0.7196072), wk = 0.0022936 k( 113) = ( 0.0681559 0.7272291 0.7196072), wk = 0.0022936 k( 114) = ( 0.0851949 0.7272291 0.7196072), wk = 0.0022936 k( 115) = ( 0.1022339 0.7272291 0.7196072), wk = 0.0022936 k( 116) = ( 0.1192729 0.7272291 0.7196072), wk = 0.0022936 k( 117) = ( 0.1363119 0.7272291 0.7196072), wk = 0.0022936 k( 118) = ( 0.1533509 0.7272291 0.7196072), wk = 0.0022936 k( 119) = ( 0.1703899 0.7272291 0.7196072), wk = 0.0022936 k( 120) = ( 0.1874288 0.7272291 0.7196072), wk = 0.0022936 k( 121) = ( 0.2044678 0.7272291 0.7196072), wk = 0.0022936 k( 122) = ( 0.2215068 0.7272291 0.7196072), wk = 0.0022936 k( 123) = ( 0.2385458 0.7272291 0.7196072), wk = 0.0022936 k( 124) = ( 0.2555848 0.7272291 0.7196072), wk = 0.0022936 k( 125) = ( 0.2726238 0.7272291 0.7196072), wk = 0.0022936 k( 126) = ( 0.2896627 0.7272291 0.7196072), wk = 0.0022936 k( 127) = ( 0.2896627 0.7272291 0.7196072), wk = 0.0022936 k( 128) = ( 0.2833657 0.7114198 0.7196072), wk = 0.0022936 k( 129) = ( 0.2770687 0.6956105 0.7196072), wk = 0.0022936 k( 130) = ( 0.2707717 0.6798011 0.7196072), wk = 0.0022936 k( 131) = ( 0.2644747 0.6639918 0.7196072), wk = 0.0022936 k( 132) = ( 0.2581777 0.6481825 0.7196072), wk = 0.0022936 k( 133) = ( 0.2518806 0.6323732 0.7196072), wk = 0.0022936 k( 134) = ( 0.2455836 0.6165638 0.7196072), wk = 0.0022936 k( 135) = ( 0.2392866 0.6007545 0.7196072), wk = 0.0022936 k( 136) = ( 0.2329896 0.5849452 0.7196072), wk = 0.0022936 k( 137) = ( 0.2266926 0.5691359 0.7196072), wk = 0.0022936 k( 138) = ( 0.2203956 0.5533265 0.7196072), wk = 0.0022936 k( 139) = ( 0.2140985 0.5375172 0.7196072), wk = 0.0022936 k( 140) = ( 0.2078015 0.5217079 0.7196072), wk = 0.0022936 k( 141) = ( 0.2015045 0.5058985 0.7196072), wk = 0.0022936 k( 142) = ( 0.1952075 0.4900892 0.7196072), wk = 0.0022936 k( 143) = ( 0.1889105 0.4742799 0.7196072), wk = 0.0022936 k( 144) = ( 0.1826135 0.4584706 0.7196072), wk = 0.0022936 k( 145) = ( 0.1763165 0.4426612 0.7196072), wk = 0.0022936 k( 146) = ( 0.1700194 0.4268519 0.7196072), wk = 0.0022936 k( 147) = ( 0.1637224 0.4110426 0.7196072), wk = 0.0022936 k( 148) = ( 0.1574254 0.3952332 0.7196072), wk = 0.0022936 k( 149) = ( 0.1511284 0.3794239 0.7196072), wk = 0.0022936 k( 150) = ( 0.1448314 0.3636146 0.7196072), wk = 0.0022936 k( 151) = ( 0.1385344 0.3478052 0.7196072), wk = 0.0022936 k( 152) = ( 0.1322373 0.3319959 0.7196072), wk = 0.0022936 k( 153) = ( 0.1259403 0.3161866 0.7196072), wk = 0.0022936 k( 154) = ( 0.1196433 0.3003773 0.7196072), wk = 0.0022936 k( 155) = ( 0.1133463 0.2845679 0.7196072), wk = 0.0022936 k( 156) = ( 0.1070493 0.2687586 0.7196072), wk = 0.0022936 k( 157) = ( 0.1007523 0.2529493 0.7196072), wk = 0.0022936 k( 158) = ( 0.0944552 0.2371399 0.7196072), wk = 0.0022936 k( 159) = ( 0.0881582 0.2213306 0.7196072), wk = 0.0022936 k( 160) = ( 0.0818612 0.2055213 0.7196072), wk = 0.0022936 k( 161) = ( 0.0755642 0.1897119 0.7196072), wk = 0.0022936 k( 162) = ( 0.0692672 0.1739026 0.7196072), wk = 0.0022936 k( 163) = ( 0.0629702 0.1580933 0.7196072), wk = 0.0022936 k( 164) = ( 0.0566731 0.1422840 0.7196072), wk = 0.0022936 k( 165) = ( 0.0503761 0.1264746 0.7196072), wk = 0.0022936 k( 166) = ( 0.0440791 0.1106653 0.7196072), wk = 0.0022936 k( 167) = ( 0.0377821 0.0948560 0.7196072), wk = 0.0022936 k( 168) = ( 0.0314851 0.0790466 0.7196072), wk = 0.0022936 k( 169) = ( 0.0251881 0.0632373 0.7196072), wk = 0.0022936 k( 170) = ( 0.0188910 0.0474280 0.7196072), wk = 0.0022936 k( 171) = ( 0.0125940 0.0316187 0.7196072), wk = 0.0022936 k( 172) = ( 0.0062970 0.0158093 0.7196072), wk = 0.0022936 k( 173) = ( 0.0000000 0.0000000 0.7196072), wk = 0.0022936 k( 174) = ( 0.0000000 0.0000000 0.7196072), wk = 0.0022936 k( 175) = ( 0.0000000 0.0000000 0.7024737), wk = 0.0022936 k( 176) = ( 0.0000000 0.0000000 0.6853402), wk = 0.0022936 k( 177) = ( 0.0000000 0.0000000 0.6682067), wk = 0.0022936 k( 178) = ( 0.0000000 0.0000000 0.6510732), wk = 0.0022936 k( 179) = ( 0.0000000 0.0000000 0.6339397), wk = 0.0022936 k( 180) = ( 0.0000000 0.0000000 0.6168062), wk = 0.0022936 k( 181) = ( 0.0000000 0.0000000 0.5996727), wk = 0.0022936 k( 182) = ( 0.0000000 0.0000000 0.5825392), wk = 0.0022936 k( 183) = ( 0.0000000 0.0000000 0.5654057), wk = 0.0022936 k( 184) = ( 0.0000000 0.0000000 0.5482722), wk = 0.0022936 k( 185) = ( 0.0000000 0.0000000 0.5311387), wk = 0.0022936 k( 186) = ( 0.0000000 0.0000000 0.5140052), wk = 0.0022936 k( 187) = ( 0.0000000 0.0000000 0.4968717), wk = 0.0022936 k( 188) = ( 0.0000000 0.0000000 0.4797381), wk = 0.0022936 k( 189) = ( 0.0000000 0.0000000 0.4626046), wk = 0.0022936 k( 190) = ( 0.0000000 0.0000000 0.4454711), wk = 0.0022936 k( 191) = ( 0.0000000 0.0000000 0.4283376), wk = 0.0022936 k( 192) = ( 0.0000000 0.0000000 0.4112041), wk = 0.0022936 k( 193) = ( 0.0000000 0.0000000 0.3940706), wk = 0.0022936 k( 194) = ( 0.0000000 0.0000000 0.3769371), wk = 0.0022936 k( 195) = ( 0.0000000 0.0000000 0.3598036), wk = 0.0022936 k( 196) = ( 0.0000000 0.0000000 0.3426701), wk = 0.0022936 k( 197) = ( 0.0000000 0.0000000 0.3255366), wk = 0.0022936 k( 198) = ( 0.0000000 0.0000000 0.3084031), wk = 0.0022936 k( 199) = ( 0.0000000 0.0000000 0.2912696), wk = 0.0022936 k( 200) = ( 0.0000000 0.0000000 0.2741361), wk = 0.0022936 k( 201) = ( 0.0000000 0.0000000 0.2570026), wk = 0.0022936 k( 202) = ( 0.0000000 0.0000000 0.2398691), wk = 0.0022936 k( 203) = ( 0.0000000 0.0000000 0.2227356), wk = 0.0022936 k( 204) = ( 0.0000000 0.0000000 0.2056021), wk = 0.0022936 k( 205) = ( 0.0000000 0.0000000 0.1884686), wk = 0.0022936 k( 206) = ( 0.0000000 0.0000000 0.1713351), wk = 0.0022936 k( 207) = ( 0.0000000 0.0000000 0.1542016), wk = 0.0022936 k( 208) = ( 0.0000000 0.0000000 0.1370680), wk = 0.0022936 k( 209) = ( 0.0000000 0.0000000 0.1199345), wk = 0.0022936 k( 210) = ( 0.0000000 0.0000000 0.1028010), wk = 0.0022936 k( 211) = ( 0.0000000 0.0000000 0.0856675), wk = 0.0022936 k( 212) = ( 0.0000000 0.0000000 0.0685340), wk = 0.0022936 k( 213) = ( 0.0000000 0.0000000 0.0514005), wk = 0.0022936 k( 214) = ( 0.0000000 0.0000000 0.0342670), wk = 0.0022936 k( 215) = ( 0.0000000 0.0000000 0.0171335), wk = 0.0022936 k( 216) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 217) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 218) = ( -0.0156250 0.0062236 0.0000000), wk = 0.0022936 k( 219) = ( -0.0312500 0.0124472 0.0000000), wk = 0.0022936 k( 220) = ( -0.0468750 0.0186708 0.0000000), wk = 0.0022936 k( 221) = ( -0.0625000 0.0248944 0.0000000), wk = 0.0022936 k( 222) = ( -0.0781250 0.0311180 0.0000000), wk = 0.0022936 k( 223) = ( -0.0937500 0.0373416 0.0000000), wk = 0.0022936 k( 224) = ( -0.1093750 0.0435652 0.0000000), wk = 0.0022936 k( 225) = ( -0.1250000 0.0497888 0.0000000), wk = 0.0022936 k( 226) = ( -0.1406250 0.0560124 0.0000000), wk = 0.0022936 k( 227) = ( -0.1562500 0.0622360 0.0000000), wk = 0.0022936 k( 228) = ( -0.1718750 0.0684596 0.0000000), wk = 0.0022936 k( 229) = ( -0.1875000 0.0746832 0.0000000), wk = 0.0022936 k( 230) = ( -0.2031250 0.0809067 0.0000000), wk = 0.0022936 k( 231) = ( -0.2187500 0.0871303 0.0000000), wk = 0.0022936 k( 232) = ( -0.2343750 0.0933539 0.0000000), wk = 0.0022936 k( 233) = ( -0.2500000 0.0995775 0.0000000), wk = 0.0022936 k( 234) = ( -0.2656250 0.1058011 0.0000000), wk = 0.0022936 k( 235) = ( -0.2812500 0.1120247 0.0000000), wk = 0.0022936 k( 236) = ( -0.2968750 0.1182483 0.0000000), wk = 0.0022936 k( 237) = ( -0.3125000 0.1244719 0.0000000), wk = 0.0022936 k( 238) = ( -0.3281250 0.1306955 0.0000000), wk = 0.0022936 k( 239) = ( -0.3437500 0.1369191 0.0000000), wk = 0.0022936 k( 240) = ( -0.3593750 0.1431427 0.0000000), wk = 0.0022936 k( 241) = ( -0.3750000 0.1493663 0.0000000), wk = 0.0022936 k( 242) = ( -0.3906250 0.1555899 0.0000000), wk = 0.0022936 k( 243) = ( -0.4062500 0.1618135 0.0000000), wk = 0.0022936 k( 244) = ( -0.4218750 0.1680371 0.0000000), wk = 0.0022936 k( 245) = ( -0.4375000 0.1742607 0.0000000), wk = 0.0022936 k( 246) = ( -0.4531250 0.1804843 0.0000000), wk = 0.0022936 k( 247) = ( -0.4687500 0.1867079 0.0000000), wk = 0.0022936 k( 248) = ( -0.4843750 0.1929315 0.0000000), wk = 0.0022936 k( 249) = ( -0.5000000 0.1991551 0.0000000), wk = 0.0022936 k( 250) = ( -0.5000000 0.1991551 0.0000000), wk = 0.0022936 k( 251) = ( -0.4936261 0.2151573 -0.0000000), wk = 0.0022936 k( 252) = ( -0.4872523 0.2311596 -0.0000000), wk = 0.0022936 k( 253) = ( -0.4808784 0.2471618 -0.0000000), wk = 0.0022936 k( 254) = ( -0.4745046 0.2631641 -0.0000000), wk = 0.0022936 k( 255) = ( -0.4681307 0.2791663 -0.0000000), wk = 0.0022936 k( 256) = ( -0.4617569 0.2951685 -0.0000000), wk = 0.0022936 k( 257) = ( -0.4553830 0.3111708 -0.0000000), wk = 0.0022936 k( 258) = ( -0.4490092 0.3271730 -0.0000000), wk = 0.0022936 k( 259) = ( -0.4426353 0.3431753 -0.0000000), wk = 0.0022936 k( 260) = ( -0.4362614 0.3591775 -0.0000000), wk = 0.0022936 k( 261) = ( -0.4298876 0.3751798 -0.0000000), wk = 0.0022936 k( 262) = ( -0.4235137 0.3911820 -0.0000000), wk = 0.0022936 k( 263) = ( -0.4171399 0.4071842 -0.0000000), wk = 0.0022936 k( 264) = ( -0.4107660 0.4231865 -0.0000000), wk = 0.0022936 k( 265) = ( -0.4043922 0.4391887 -0.0000000), wk = 0.0022936 k( 266) = ( -0.3980183 0.4551910 -0.0000000), wk = 0.0022936 k( 267) = ( -0.3916444 0.4711932 -0.0000000), wk = 0.0022936 k( 268) = ( -0.3852706 0.4871955 -0.0000000), wk = 0.0022936 k( 269) = ( -0.3788967 0.5031977 -0.0000000), wk = 0.0022936 k( 270) = ( -0.3725229 0.5192000 -0.0000000), wk = 0.0022936 k( 271) = ( -0.3661490 0.5352022 -0.0000000), wk = 0.0022936 k( 272) = ( -0.3597752 0.5512045 -0.0000000), wk = 0.0022936 k( 273) = ( -0.3534013 0.5672067 -0.0000000), wk = 0.0022936 k( 274) = ( -0.3470275 0.5832089 -0.0000000), wk = 0.0022936 k( 275) = ( -0.3406536 0.5992112 -0.0000000), wk = 0.0022936 k( 276) = ( -0.3342797 0.6152134 -0.0000000), wk = 0.0022936 k( 277) = ( -0.3279059 0.6312157 -0.0000000), wk = 0.0022936 k( 278) = ( -0.3215320 0.6472179 -0.0000000), wk = 0.0022936 k( 279) = ( -0.3151582 0.6632202 -0.0000000), wk = 0.0022936 k( 280) = ( -0.3087843 0.6792224 -0.0000000), wk = 0.0022936 k( 281) = ( -0.3024104 0.6952247 -0.0000000), wk = 0.0022936 k( 282) = ( -0.2960366 0.7112269 -0.0000000), wk = 0.0022936 k( 283) = ( -0.2896627 0.7272291 -0.0000000), wk = 0.0022936 k( 284) = ( -0.2896627 0.7272291 -0.0000000), wk = 0.0022936 k( 285) = ( -0.2896627 0.7272291 0.0171335), wk = 0.0022936 k( 286) = ( -0.2896627 0.7272291 0.0342670), wk = 0.0022936 k( 287) = ( -0.2896627 0.7272291 0.0514005), wk = 0.0022936 k( 288) = ( -0.2896627 0.7272291 0.0685340), wk = 0.0022936 k( 289) = ( -0.2896627 0.7272291 0.0856675), wk = 0.0022936 k( 290) = ( -0.2896627 0.7272291 0.1028010), wk = 0.0022936 k( 291) = ( -0.2896627 0.7272291 0.1199345), wk = 0.0022936 k( 292) = ( -0.2896627 0.7272291 0.1370680), wk = 0.0022936 k( 293) = ( -0.2896627 0.7272291 0.1542016), wk = 0.0022936 k( 294) = ( -0.2896627 0.7272291 0.1713351), wk = 0.0022936 k( 295) = ( -0.2896627 0.7272291 0.1884686), wk = 0.0022936 k( 296) = ( -0.2896627 0.7272291 0.2056021), wk = 0.0022936 k( 297) = ( -0.2896627 0.7272291 0.2227356), wk = 0.0022936 k( 298) = ( -0.2896627 0.7272291 0.2398691), wk = 0.0022936 k( 299) = ( -0.2896627 0.7272291 0.2570026), wk = 0.0022936 k( 300) = ( -0.2896627 0.7272291 0.2741361), wk = 0.0022936 k( 301) = ( -0.2896627 0.7272291 0.2912696), wk = 0.0022936 k( 302) = ( -0.2896627 0.7272291 0.3084031), wk = 0.0022936 k( 303) = ( -0.2896627 0.7272291 0.3255366), wk = 0.0022936 k( 304) = ( -0.2896627 0.7272291 0.3426701), wk = 0.0022936 k( 305) = ( -0.2896627 0.7272291 0.3598036), wk = 0.0022936 k( 306) = ( -0.2896627 0.7272291 0.3769371), wk = 0.0022936 k( 307) = ( -0.2896627 0.7272291 0.3940706), wk = 0.0022936 k( 308) = ( -0.2896627 0.7272291 0.4112041), wk = 0.0022936 k( 309) = ( -0.2896627 0.7272291 0.4283376), wk = 0.0022936 k( 310) = ( -0.2896627 0.7272291 0.4454711), wk = 0.0022936 k( 311) = ( -0.2896627 0.7272291 0.4626046), wk = 0.0022936 k( 312) = ( -0.2896627 0.7272291 0.4797381), wk = 0.0022936 k( 313) = ( -0.2896627 0.7272291 0.4968717), wk = 0.0022936 k( 314) = ( -0.2896627 0.7272291 0.5140052), wk = 0.0022936 k( 315) = ( -0.2896627 0.7272291 0.5311387), wk = 0.0022936 k( 316) = ( -0.2896627 0.7272291 0.5482722), wk = 0.0022936 k( 317) = ( -0.2896627 0.7272291 0.5654057), wk = 0.0022936 k( 318) = ( -0.2896627 0.7272291 0.5825392), wk = 0.0022936 k( 319) = ( -0.2896627 0.7272291 0.5996727), wk = 0.0022936 k( 320) = ( -0.2896627 0.7272291 0.6168062), wk = 0.0022936 k( 321) = ( -0.2896627 0.7272291 0.6339397), wk = 0.0022936 k( 322) = ( -0.2896627 0.7272291 0.6510732), wk = 0.0022936 k( 323) = ( -0.2896627 0.7272291 0.6682067), wk = 0.0022936 k( 324) = ( -0.2896627 0.7272291 0.6853402), wk = 0.0022936 k( 325) = ( -0.2896627 0.7272291 0.7024737), wk = 0.0022936 k( 326) = ( -0.2896627 0.7272291 0.7196072), wk = 0.0022936 k( 327) = ( -0.2896627 0.7272291 0.7196072), wk = 0.0022936 k( 328) = ( -0.2960366 0.7112269 0.7196072), wk = 0.0022936 k( 329) = ( -0.3024104 0.6952247 0.7196072), wk = 0.0022936 k( 330) = ( -0.3087843 0.6792224 0.7196072), wk = 0.0022936 k( 331) = ( -0.3151582 0.6632202 0.7196072), wk = 0.0022936 k( 332) = ( -0.3215320 0.6472179 0.7196072), wk = 0.0022936 k( 333) = ( -0.3279059 0.6312157 0.7196072), wk = 0.0022936 k( 334) = ( -0.3342797 0.6152134 0.7196072), wk = 0.0022936 k( 335) = ( -0.3406536 0.5992112 0.7196072), wk = 0.0022936 k( 336) = ( -0.3470275 0.5832089 0.7196072), wk = 0.0022936 k( 337) = ( -0.3534013 0.5672067 0.7196072), wk = 0.0022936 k( 338) = ( -0.3597752 0.5512045 0.7196072), wk = 0.0022936 k( 339) = ( -0.3661490 0.5352022 0.7196072), wk = 0.0022936 k( 340) = ( -0.3725229 0.5192000 0.7196072), wk = 0.0022936 k( 341) = ( -0.3788967 0.5031977 0.7196072), wk = 0.0022936 k( 342) = ( -0.3852706 0.4871955 0.7196072), wk = 0.0022936 k( 343) = ( -0.3916444 0.4711932 0.7196072), wk = 0.0022936 k( 344) = ( -0.3980183 0.4551910 0.7196072), wk = 0.0022936 k( 345) = ( -0.4043922 0.4391887 0.7196072), wk = 0.0022936 k( 346) = ( -0.4107660 0.4231865 0.7196072), wk = 0.0022936 k( 347) = ( -0.4171399 0.4071842 0.7196072), wk = 0.0022936 k( 348) = ( -0.4235137 0.3911820 0.7196072), wk = 0.0022936 k( 349) = ( -0.4298876 0.3751798 0.7196072), wk = 0.0022936 k( 350) = ( -0.4362614 0.3591775 0.7196072), wk = 0.0022936 k( 351) = ( -0.4426353 0.3431753 0.7196072), wk = 0.0022936 k( 352) = ( -0.4490092 0.3271730 0.7196072), wk = 0.0022936 k( 353) = ( -0.4553830 0.3111708 0.7196072), wk = 0.0022936 k( 354) = ( -0.4617569 0.2951685 0.7196072), wk = 0.0022936 k( 355) = ( -0.4681307 0.2791663 0.7196072), wk = 0.0022936 k( 356) = ( -0.4745046 0.2631641 0.7196072), wk = 0.0022936 k( 357) = ( -0.4808784 0.2471618 0.7196072), wk = 0.0022936 k( 358) = ( -0.4872523 0.2311596 0.7196072), wk = 0.0022936 k( 359) = ( -0.4936261 0.2151573 0.7196072), wk = 0.0022936 k( 360) = ( -0.5000000 0.1991551 0.7196072), wk = 0.0022936 k( 361) = ( -0.5000000 0.1991551 0.7196072), wk = 0.0022936 k( 362) = ( -0.5000000 0.1991551 0.7024737), wk = 0.0022936 k( 363) = ( -0.5000000 0.1991551 0.6853402), wk = 0.0022936 k( 364) = ( -0.5000000 0.1991551 0.6682067), wk = 0.0022936 k( 365) = ( -0.5000000 0.1991551 0.6510732), wk = 0.0022936 k( 366) = ( -0.5000000 0.1991551 0.6339397), wk = 0.0022936 k( 367) = ( -0.5000000 0.1991551 0.6168062), wk = 0.0022936 k( 368) = ( -0.5000000 0.1991551 0.5996727), wk = 0.0022936 k( 369) = ( -0.5000000 0.1991551 0.5825392), wk = 0.0022936 k( 370) = ( -0.5000000 0.1991551 0.5654057), wk = 0.0022936 k( 371) = ( -0.5000000 0.1991551 0.5482722), wk = 0.0022936 k( 372) = ( -0.5000000 0.1991551 0.5311387), wk = 0.0022936 k( 373) = ( -0.5000000 0.1991551 0.5140052), wk = 0.0022936 k( 374) = ( -0.5000000 0.1991551 0.4968717), wk = 0.0022936 k( 375) = ( -0.5000000 0.1991551 0.4797381), wk = 0.0022936 k( 376) = ( -0.5000000 0.1991551 0.4626046), wk = 0.0022936 k( 377) = ( -0.5000000 0.1991551 0.4454711), wk = 0.0022936 k( 378) = ( -0.5000000 0.1991551 0.4283376), wk = 0.0022936 k( 379) = ( -0.5000000 0.1991551 0.4112041), wk = 0.0022936 k( 380) = ( -0.5000000 0.1991551 0.3940706), wk = 0.0022936 k( 381) = ( -0.5000000 0.1991551 0.3769371), wk = 0.0022936 k( 382) = ( -0.5000000 0.1991551 0.3598036), wk = 0.0022936 k( 383) = ( -0.5000000 0.1991551 0.3426701), wk = 0.0022936 k( 384) = ( -0.5000000 0.1991551 0.3255366), wk = 0.0022936 k( 385) = ( -0.5000000 0.1991551 0.3084031), wk = 0.0022936 k( 386) = ( -0.5000000 0.1991551 0.2912696), wk = 0.0022936 k( 387) = ( -0.5000000 0.1991551 0.2741361), wk = 0.0022936 k( 388) = ( -0.5000000 0.1991551 0.2570026), wk = 0.0022936 k( 389) = ( -0.5000000 0.1991551 0.2398691), wk = 0.0022936 k( 390) = ( -0.5000000 0.1991551 0.2227356), wk = 0.0022936 k( 391) = ( -0.5000000 0.1991551 0.2056021), wk = 0.0022936 k( 392) = ( -0.5000000 0.1991551 0.1884686), wk = 0.0022936 k( 393) = ( -0.5000000 0.1991551 0.1713351), wk = 0.0022936 k( 394) = ( -0.5000000 0.1991551 0.1542016), wk = 0.0022936 k( 395) = ( -0.5000000 0.1991551 0.1370680), wk = 0.0022936 k( 396) = ( -0.5000000 0.1991551 0.1199345), wk = 0.0022936 k( 397) = ( -0.5000000 0.1991551 0.1028010), wk = 0.0022936 k( 398) = ( -0.5000000 0.1991551 0.0856675), wk = 0.0022936 k( 399) = ( -0.5000000 0.1991551 0.0685340), wk = 0.0022936 k( 400) = ( -0.5000000 0.1991551 0.0514005), wk = 0.0022936 k( 401) = ( -0.5000000 0.1991551 0.0342670), wk = 0.0022936 k( 402) = ( -0.5000000 0.1991551 0.0171335), wk = 0.0022936 k( 403) = ( -0.5000000 0.1991551 0.0000000), wk = 0.0022936 k( 404) = ( 0.0000000 0.0000000 0.7196072), wk = 0.0022936 k( 405) = ( -0.0156250 0.0062236 0.7196072), wk = 0.0022936 k( 406) = ( -0.0312500 0.0124472 0.7196072), wk = 0.0022936 k( 407) = ( -0.0468750 0.0186708 0.7196072), wk = 0.0022936 k( 408) = ( -0.0625000 0.0248944 0.7196072), wk = 0.0022936 k( 409) = ( -0.0781250 0.0311180 0.7196072), wk = 0.0022936 k( 410) = ( -0.0937500 0.0373416 0.7196072), wk = 0.0022936 k( 411) = ( -0.1093750 0.0435652 0.7196072), wk = 0.0022936 k( 412) = ( -0.1250000 0.0497888 0.7196072), wk = 0.0022936 k( 413) = ( -0.1406250 0.0560124 0.7196072), wk = 0.0022936 k( 414) = ( -0.1562500 0.0622360 0.7196072), wk = 0.0022936 k( 415) = ( -0.1718750 0.0684596 0.7196072), wk = 0.0022936 k( 416) = ( -0.1875000 0.0746832 0.7196072), wk = 0.0022936 k( 417) = ( -0.2031250 0.0809067 0.7196072), wk = 0.0022936 k( 418) = ( -0.2187500 0.0871303 0.7196072), wk = 0.0022936 k( 419) = ( -0.2343750 0.0933539 0.7196072), wk = 0.0022936 k( 420) = ( -0.2500000 0.0995775 0.7196072), wk = 0.0022936 k( 421) = ( -0.2656250 0.1058011 0.7196072), wk = 0.0022936 k( 422) = ( -0.2812500 0.1120247 0.7196072), wk = 0.0022936 k( 423) = ( -0.2968750 0.1182483 0.7196072), wk = 0.0022936 k( 424) = ( -0.3125000 0.1244719 0.7196072), wk = 0.0022936 k( 425) = ( -0.3281250 0.1306955 0.7196072), wk = 0.0022936 k( 426) = ( -0.3437500 0.1369191 0.7196072), wk = 0.0022936 k( 427) = ( -0.3593750 0.1431427 0.7196072), wk = 0.0022936 k( 428) = ( -0.3750000 0.1493663 0.7196072), wk = 0.0022936 k( 429) = ( -0.3906250 0.1555899 0.7196072), wk = 0.0022936 k( 430) = ( -0.4062500 0.1618135 0.7196072), wk = 0.0022936 k( 431) = ( -0.4218750 0.1680371 0.7196072), wk = 0.0022936 k( 432) = ( -0.4375000 0.1742607 0.7196072), wk = 0.0022936 k( 433) = ( -0.4531250 0.1804843 0.7196072), wk = 0.0022936 k( 434) = ( -0.4687500 0.1867079 0.7196072), wk = 0.0022936 k( 435) = ( -0.4843750 0.1929315 0.7196072), wk = 0.0022936 k( 436) = ( -0.5000000 0.1991551 0.7196072), wk = 0.0022936 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 2) = ( 0.0062970 0.0062970 0.0000000), wk = 0.0022936 k( 3) = ( 0.0125940 0.0125940 0.0000000), wk = 0.0022936 k( 4) = ( 0.0188910 0.0188910 0.0000000), wk = 0.0022936 k( 5) = ( 0.0251881 0.0251881 0.0000000), wk = 0.0022936 k( 6) = ( 0.0314851 0.0314851 0.0000000), wk = 0.0022936 k( 7) = ( 0.0377821 0.0377821 0.0000000), wk = 0.0022936 k( 8) = ( 0.0440791 0.0440791 0.0000000), wk = 0.0022936 k( 9) = ( 0.0503761 0.0503761 -0.0000000), wk = 0.0022936 k( 10) = ( 0.0566731 0.0566731 -0.0000000), wk = 0.0022936 k( 11) = ( 0.0629702 0.0629702 0.0000000), wk = 0.0022936 k( 12) = ( 0.0692672 0.0692672 0.0000000), wk = 0.0022936 k( 13) = ( 0.0755642 0.0755642 0.0000000), wk = 0.0022936 k( 14) = ( 0.0818612 0.0818612 0.0000000), wk = 0.0022936 k( 15) = ( 0.0881582 0.0881582 0.0000000), wk = 0.0022936 k( 16) = ( 0.0944552 0.0944552 -0.0000000), wk = 0.0022936 k( 17) = ( 0.1007523 0.1007523 -0.0000000), wk = 0.0022936 k( 18) = ( 0.1070493 0.1070493 0.0000000), wk = 0.0022936 k( 19) = ( 0.1133463 0.1133463 0.0000000), wk = 0.0022936 k( 20) = ( 0.1196433 0.1196433 0.0000000), wk = 0.0022936 k( 21) = ( 0.1259403 0.1259403 0.0000000), wk = 0.0022936 k( 22) = ( 0.1322373 0.1322373 -0.0000000), wk = 0.0022936 k( 23) = ( 0.1385344 0.1385343 -0.0000000), wk = 0.0022936 k( 24) = ( 0.1448314 0.1448314 0.0000000), wk = 0.0022936 k( 25) = ( 0.1511284 0.1511284 0.0000000), wk = 0.0022936 k( 26) = ( 0.1574254 0.1574254 0.0000000), wk = 0.0022936 k( 27) = ( 0.1637224 0.1637224 0.0000000), wk = 0.0022936 k( 28) = ( 0.1700194 0.1700194 -0.0000000), wk = 0.0022936 k( 29) = ( 0.1763165 0.1763164 -0.0000000), wk = 0.0022936 k( 30) = ( 0.1826135 0.1826135 0.0000000), wk = 0.0022936 k( 31) = ( 0.1889105 0.1889105 -0.0000000), wk = 0.0022936 k( 32) = ( 0.1952075 0.1952075 -0.0000000), wk = 0.0022936 k( 33) = ( 0.2015045 0.2015045 -0.0000000), wk = 0.0022936 k( 34) = ( 0.2078015 0.2078015 0.0000000), wk = 0.0022936 k( 35) = ( 0.2140985 0.2140985 -0.0000000), wk = 0.0022936 k( 36) = ( 0.2203956 0.2203956 0.0000000), wk = 0.0022936 k( 37) = ( 0.2266926 0.2266926 0.0000000), wk = 0.0022936 k( 38) = ( 0.2329896 0.2329896 -0.0000000), wk = 0.0022936 k( 39) = ( 0.2392866 0.2392866 -0.0000000), wk = 0.0022936 k( 40) = ( 0.2455836 0.2455836 0.0000000), wk = 0.0022936 k( 41) = ( 0.2518806 0.2518806 0.0000000), wk = 0.0022936 k( 42) = ( 0.2581777 0.2581777 -0.0000000), wk = 0.0022936 k( 43) = ( 0.2644747 0.2644747 -0.0000000), wk = 0.0022936 k( 44) = ( 0.2707717 0.2707717 0.0000000), wk = 0.0022936 k( 45) = ( 0.2770687 0.2770687 -0.0000000), wk = 0.0022936 k( 46) = ( 0.2833657 0.2833657 0.0000000), wk = 0.0022936 k( 47) = ( 0.2896627 0.2896627 0.0000000), wk = 0.0022936 k( 48) = ( 0.2896627 0.2896627 0.0000000), wk = 0.0022936 k( 49) = ( 0.2726238 0.3020355 0.0000000), wk = 0.0022936 k( 50) = ( 0.2555848 0.3144083 0.0000000), wk = 0.0022936 k( 51) = ( 0.2385458 0.3267811 -0.0000000), wk = 0.0022936 k( 52) = ( 0.2215068 0.3391539 0.0000000), wk = 0.0022936 k( 53) = ( 0.2044678 0.3515266 0.0000000), wk = 0.0022936 k( 54) = ( 0.1874288 0.3638994 -0.0000000), wk = 0.0022936 k( 55) = ( 0.1703899 0.3762722 0.0000000), wk = 0.0022936 k( 56) = ( 0.1533509 0.3886450 0.0000000), wk = 0.0022936 k( 57) = ( 0.1363119 0.4010178 0.0000000), wk = 0.0022936 k( 58) = ( 0.1192729 0.4133905 -0.0000000), wk = 0.0022936 k( 59) = ( 0.1022339 0.4257633 -0.0000000), wk = 0.0022936 k( 60) = ( 0.0851949 0.4381361 0.0000000), wk = 0.0022936 k( 61) = ( 0.0681559 0.4505089 -0.0000000), wk = 0.0022936 k( 62) = ( 0.0511170 0.4628817 0.0000000), wk = 0.0022936 k( 63) = ( 0.0340780 0.4752544 0.0000000), wk = 0.0022936 k( 64) = ( 0.0170390 0.4876272 0.0000000), wk = 0.0022936 k( 65) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022936 k( 66) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0022936 k( 67) = ( 0.0000000 0.5000000 0.0119048), wk = 0.0022936 k( 68) = ( 0.0000000 0.5000000 0.0238095), wk = 0.0022936 k( 69) = ( 0.0000000 0.5000000 0.0357143), wk = 0.0022936 k( 70) = ( 0.0000000 0.5000000 0.0476191), wk = 0.0022936 k( 71) = ( 0.0000000 0.5000000 0.0595238), wk = 0.0022936 k( 72) = ( 0.0000000 0.5000000 0.0714286), wk = 0.0022936 k( 73) = ( 0.0000000 0.5000000 0.0833333), wk = 0.0022936 k( 74) = ( 0.0000000 0.5000000 0.0952381), wk = 0.0022936 k( 75) = ( 0.0000000 0.5000000 0.1071429), wk = 0.0022936 k( 76) = ( 0.0000000 0.5000000 0.1190476), wk = 0.0022936 k( 77) = ( 0.0000000 0.5000000 0.1309524), wk = 0.0022936 k( 78) = ( 0.0000000 0.5000000 0.1428571), wk = 0.0022936 k( 79) = ( 0.0000000 0.5000000 0.1547619), wk = 0.0022936 k( 80) = ( 0.0000000 0.5000000 0.1666667), wk = 0.0022936 k( 81) = ( 0.0000000 0.5000000 0.1785714), wk = 0.0022936 k( 82) = ( 0.0000000 0.5000000 0.1904762), wk = 0.0022936 k( 83) = ( 0.0000000 0.5000000 0.2023810), wk = 0.0022936 k( 84) = ( 0.0000000 0.5000000 0.2142857), wk = 0.0022936 k( 85) = ( 0.0000000 0.5000000 0.2261905), wk = 0.0022936 k( 86) = ( 0.0000000 0.5000000 0.2380952), wk = 0.0022936 k( 87) = ( 0.0000000 0.5000000 0.2500000), wk = 0.0022936 k( 88) = ( 0.0000000 0.5000000 0.2619048), wk = 0.0022936 k( 89) = ( 0.0000000 0.5000000 0.2738095), wk = 0.0022936 k( 90) = ( 0.0000000 0.5000000 0.2857143), wk = 0.0022936 k( 91) = ( 0.0000000 0.5000000 0.2976190), wk = 0.0022936 k( 92) = ( 0.0000000 0.5000000 0.3095238), wk = 0.0022936 k( 93) = ( 0.0000000 0.5000000 0.3214286), wk = 0.0022936 k( 94) = ( 0.0000000 0.5000000 0.3333333), wk = 0.0022936 k( 95) = ( 0.0000000 0.5000000 0.3452381), wk = 0.0022936 k( 96) = ( 0.0000000 0.5000000 0.3571429), wk = 0.0022936 k( 97) = ( 0.0000000 0.5000000 0.3690476), wk = 0.0022936 k( 98) = ( 0.0000000 0.5000000 0.3809524), wk = 0.0022936 k( 99) = ( 0.0000000 0.5000000 0.3928571), wk = 0.0022936 k( 100) = ( 0.0000000 0.5000000 0.4047619), wk = 0.0022936 k( 101) = ( 0.0000000 0.5000000 0.4166667), wk = 0.0022936 k( 102) = ( 0.0000000 0.5000000 0.4285714), wk = 0.0022936 k( 103) = ( 0.0000000 0.5000000 0.4404762), wk = 0.0022936 k( 104) = ( 0.0000000 0.5000000 0.4523809), wk = 0.0022936 k( 105) = ( 0.0000000 0.5000000 0.4642857), wk = 0.0022936 k( 106) = ( 0.0000000 0.5000000 0.4761905), wk = 0.0022936 k( 107) = ( 0.0000000 0.5000000 0.4880952), wk = 0.0022936 k( 108) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022936 k( 109) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0022936 k( 110) = ( 0.0170390 0.4876272 0.5000000), wk = 0.0022936 k( 111) = ( 0.0340780 0.4752544 0.5000000), wk = 0.0022936 k( 112) = ( 0.0511170 0.4628817 0.5000000), wk = 0.0022936 k( 113) = ( 0.0681559 0.4505089 0.5000000), wk = 0.0022936 k( 114) = ( 0.0851949 0.4381361 0.5000000), wk = 0.0022936 k( 115) = ( 0.1022339 0.4257633 0.5000000), wk = 0.0022936 k( 116) = ( 0.1192729 0.4133905 0.5000000), wk = 0.0022936 k( 117) = ( 0.1363119 0.4010178 0.5000000), wk = 0.0022936 k( 118) = ( 0.1533509 0.3886450 0.5000000), wk = 0.0022936 k( 119) = ( 0.1703899 0.3762722 0.5000000), wk = 0.0022936 k( 120) = ( 0.1874288 0.3638994 0.5000000), wk = 0.0022936 k( 121) = ( 0.2044678 0.3515266 0.5000000), wk = 0.0022936 k( 122) = ( 0.2215068 0.3391539 0.5000000), wk = 0.0022936 k( 123) = ( 0.2385458 0.3267811 0.5000000), wk = 0.0022936 k( 124) = ( 0.2555848 0.3144083 0.5000000), wk = 0.0022936 k( 125) = ( 0.2726238 0.3020355 0.5000000), wk = 0.0022936 k( 126) = ( 0.2896627 0.2896627 0.5000000), wk = 0.0022936 k( 127) = ( 0.2896627 0.2896627 0.5000000), wk = 0.0022936 k( 128) = ( 0.2833657 0.2833657 0.5000000), wk = 0.0022936 k( 129) = ( 0.2770687 0.2770687 0.5000000), wk = 0.0022936 k( 130) = ( 0.2707717 0.2707717 0.5000000), wk = 0.0022936 k( 131) = ( 0.2644747 0.2644747 0.5000000), wk = 0.0022936 k( 132) = ( 0.2581777 0.2581777 0.5000000), wk = 0.0022936 k( 133) = ( 0.2518806 0.2518806 0.5000000), wk = 0.0022936 k( 134) = ( 0.2455836 0.2455836 0.5000000), wk = 0.0022936 k( 135) = ( 0.2392866 0.2392866 0.5000000), wk = 0.0022936 k( 136) = ( 0.2329896 0.2329896 0.5000000), wk = 0.0022936 k( 137) = ( 0.2266926 0.2266926 0.5000000), wk = 0.0022936 k( 138) = ( 0.2203956 0.2203956 0.5000000), wk = 0.0022936 k( 139) = ( 0.2140985 0.2140985 0.5000000), wk = 0.0022936 k( 140) = ( 0.2078015 0.2078015 0.5000000), wk = 0.0022936 k( 141) = ( 0.2015045 0.2015045 0.5000000), wk = 0.0022936 k( 142) = ( 0.1952075 0.1952075 0.5000000), wk = 0.0022936 k( 143) = ( 0.1889105 0.1889105 0.5000000), wk = 0.0022936 k( 144) = ( 0.1826135 0.1826135 0.5000000), wk = 0.0022936 k( 145) = ( 0.1763165 0.1763164 0.5000000), wk = 0.0022936 k( 146) = ( 0.1700194 0.1700194 0.5000000), wk = 0.0022936 k( 147) = ( 0.1637224 0.1637224 0.5000000), wk = 0.0022936 k( 148) = ( 0.1574254 0.1574254 0.5000000), wk = 0.0022936 k( 149) = ( 0.1511284 0.1511284 0.5000000), wk = 0.0022936 k( 150) = ( 0.1448314 0.1448314 0.5000000), wk = 0.0022936 k( 151) = ( 0.1385344 0.1385343 0.5000000), wk = 0.0022936 k( 152) = ( 0.1322373 0.1322373 0.5000000), wk = 0.0022936 k( 153) = ( 0.1259403 0.1259403 0.5000000), wk = 0.0022936 k( 154) = ( 0.1196433 0.1196433 0.5000000), wk = 0.0022936 k( 155) = ( 0.1133463 0.1133463 0.5000000), wk = 0.0022936 k( 156) = ( 0.1070493 0.1070493 0.5000000), wk = 0.0022936 k( 157) = ( 0.1007523 0.1007523 0.5000000), wk = 0.0022936 k( 158) = ( 0.0944552 0.0944552 0.5000000), wk = 0.0022936 k( 159) = ( 0.0881582 0.0881582 0.5000000), wk = 0.0022936 k( 160) = ( 0.0818612 0.0818612 0.5000000), wk = 0.0022936 k( 161) = ( 0.0755642 0.0755642 0.5000000), wk = 0.0022936 k( 162) = ( 0.0692672 0.0692672 0.5000000), wk = 0.0022936 k( 163) = ( 0.0629702 0.0629702 0.5000000), wk = 0.0022936 k( 164) = ( 0.0566731 0.0566731 0.5000000), wk = 0.0022936 k( 165) = ( 0.0503761 0.0503761 0.5000000), wk = 0.0022936 k( 166) = ( 0.0440791 0.0440791 0.5000000), wk = 0.0022936 k( 167) = ( 0.0377821 0.0377821 0.5000000), wk = 0.0022936 k( 168) = ( 0.0314851 0.0314851 0.5000000), wk = 0.0022936 k( 169) = ( 0.0251881 0.0251881 0.5000000), wk = 0.0022936 k( 170) = ( 0.0188910 0.0188910 0.5000000), wk = 0.0022936 k( 171) = ( 0.0125940 0.0125940 0.5000000), wk = 0.0022936 k( 172) = ( 0.0062970 0.0062970 0.5000000), wk = 0.0022936 k( 173) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022936 k( 174) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022936 k( 175) = ( 0.0000000 0.0000000 0.4880952), wk = 0.0022936 k( 176) = ( 0.0000000 0.0000000 0.4761905), wk = 0.0022936 k( 177) = ( 0.0000000 0.0000000 0.4642857), wk = 0.0022936 k( 178) = ( 0.0000000 0.0000000 0.4523809), wk = 0.0022936 k( 179) = ( 0.0000000 0.0000000 0.4404762), wk = 0.0022936 k( 180) = ( 0.0000000 0.0000000 0.4285714), wk = 0.0022936 k( 181) = ( 0.0000000 0.0000000 0.4166667), wk = 0.0022936 k( 182) = ( 0.0000000 0.0000000 0.4047619), wk = 0.0022936 k( 183) = ( 0.0000000 0.0000000 0.3928571), wk = 0.0022936 k( 184) = ( 0.0000000 0.0000000 0.3809524), wk = 0.0022936 k( 185) = ( 0.0000000 0.0000000 0.3690476), wk = 0.0022936 k( 186) = ( 0.0000000 0.0000000 0.3571429), wk = 0.0022936 k( 187) = ( 0.0000000 0.0000000 0.3452381), wk = 0.0022936 k( 188) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0022936 k( 189) = ( 0.0000000 0.0000000 0.3214286), wk = 0.0022936 k( 190) = ( 0.0000000 0.0000000 0.3095238), wk = 0.0022936 k( 191) = ( 0.0000000 0.0000000 0.2976190), wk = 0.0022936 k( 192) = ( 0.0000000 0.0000000 0.2857143), wk = 0.0022936 k( 193) = ( 0.0000000 0.0000000 0.2738095), wk = 0.0022936 k( 194) = ( 0.0000000 0.0000000 0.2619048), wk = 0.0022936 k( 195) = ( 0.0000000 0.0000000 0.2500000), wk = 0.0022936 k( 196) = ( 0.0000000 0.0000000 0.2380952), wk = 0.0022936 k( 197) = ( 0.0000000 0.0000000 0.2261905), wk = 0.0022936 k( 198) = ( 0.0000000 0.0000000 0.2142857), wk = 0.0022936 k( 199) = ( 0.0000000 0.0000000 0.2023809), wk = 0.0022936 k( 200) = ( 0.0000000 0.0000000 0.1904762), wk = 0.0022936 k( 201) = ( 0.0000000 0.0000000 0.1785714), wk = 0.0022936 k( 202) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0022936 k( 203) = ( 0.0000000 0.0000000 0.1547619), wk = 0.0022936 k( 204) = ( 0.0000000 0.0000000 0.1428571), wk = 0.0022936 k( 205) = ( 0.0000000 0.0000000 0.1309524), wk = 0.0022936 k( 206) = ( 0.0000000 0.0000000 0.1190476), wk = 0.0022936 k( 207) = ( 0.0000000 0.0000000 0.1071429), wk = 0.0022936 k( 208) = ( 0.0000000 0.0000000 0.0952381), wk = 0.0022936 k( 209) = ( 0.0000000 0.0000000 0.0833333), wk = 0.0022936 k( 210) = ( 0.0000000 0.0000000 0.0714286), wk = 0.0022936 k( 211) = ( 0.0000000 0.0000000 0.0595238), wk = 0.0022936 k( 212) = ( 0.0000000 0.0000000 0.0476191), wk = 0.0022936 k( 213) = ( 0.0000000 0.0000000 0.0357143), wk = 0.0022936 k( 214) = ( 0.0000000 0.0000000 0.0238095), wk = 0.0022936 k( 215) = ( 0.0000000 0.0000000 0.0119048), wk = 0.0022936 k( 216) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 217) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0022936 k( 218) = ( -0.0156250 0.0156250 0.0000000), wk = 0.0022936 k( 219) = ( -0.0312500 0.0312500 0.0000000), wk = 0.0022936 k( 220) = ( -0.0468750 0.0468750 0.0000000), wk = 0.0022936 k( 221) = ( -0.0625000 0.0625000 0.0000000), wk = 0.0022936 k( 222) = ( -0.0781250 0.0781250 -0.0000000), wk = 0.0022936 k( 223) = ( -0.0937500 0.0937500 0.0000000), wk = 0.0022936 k( 224) = ( -0.1093750 0.1093750 0.0000000), wk = 0.0022936 k( 225) = ( -0.1250000 0.1250000 0.0000000), wk = 0.0022936 k( 226) = ( -0.1406250 0.1406250 -0.0000000), wk = 0.0022936 k( 227) = ( -0.1562500 0.1562500 -0.0000000), wk = 0.0022936 k( 228) = ( -0.1718750 0.1718750 -0.0000000), wk = 0.0022936 k( 229) = ( -0.1875000 0.1875000 0.0000000), wk = 0.0022936 k( 230) = ( -0.2031250 0.2031250 -0.0000000), wk = 0.0022936 k( 231) = ( -0.2187500 0.2187500 0.0000000), wk = 0.0022936 k( 232) = ( -0.2343750 0.2343750 -0.0000000), wk = 0.0022936 k( 233) = ( -0.2500000 0.2500000 0.0000000), wk = 0.0022936 k( 234) = ( -0.2656250 0.2656250 0.0000000), wk = 0.0022936 k( 235) = ( -0.2812500 0.2812500 -0.0000000), wk = 0.0022936 k( 236) = ( -0.2968750 0.2968750 0.0000000), wk = 0.0022936 k( 237) = ( -0.3125000 0.3125000 -0.0000000), wk = 0.0022936 k( 238) = ( -0.3281250 0.3281250 0.0000000), wk = 0.0022936 k( 239) = ( -0.3437500 0.3437500 -0.0000000), wk = 0.0022936 k( 240) = ( -0.3593750 0.3593750 0.0000000), wk = 0.0022936 k( 241) = ( -0.3750000 0.3750000 0.0000000), wk = 0.0022936 k( 242) = ( -0.3906250 0.3906250 0.0000000), wk = 0.0022936 k( 243) = ( -0.4062500 0.4062500 -0.0000000), wk = 0.0022936 k( 244) = ( -0.4218750 0.4218750 -0.0000000), wk = 0.0022936 k( 245) = ( -0.4375000 0.4375000 0.0000000), wk = 0.0022936 k( 246) = ( -0.4531250 0.4531250 0.0000000), wk = 0.0022936 k( 247) = ( -0.4687500 0.4687500 -0.0000000), wk = 0.0022936 k( 248) = ( -0.4843750 0.4843750 -0.0000000), wk = 0.0022936 k( 249) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0022936 k( 250) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0022936 k( 251) = ( -0.4936261 0.5063739 -0.0000000), wk = 0.0022936 k( 252) = ( -0.4872523 0.5127477 0.0000000), wk = 0.0022936 k( 253) = ( -0.4808784 0.5191216 0.0000000), wk = 0.0022936 k( 254) = ( -0.4745046 0.5254954 0.0000000), wk = 0.0022936 k( 255) = ( -0.4681307 0.5318693 -0.0000000), wk = 0.0022936 k( 256) = ( -0.4617569 0.5382431 -0.0000000), wk = 0.0022936 k( 257) = ( -0.4553830 0.5446170 0.0000000), wk = 0.0022936 k( 258) = ( -0.4490092 0.5509909 -0.0000000), wk = 0.0022936 k( 259) = ( -0.4426353 0.5573647 0.0000000), wk = 0.0022936 k( 260) = ( -0.4362614 0.5637386 -0.0000000), wk = 0.0022936 k( 261) = ( -0.4298876 0.5701124 0.0000000), wk = 0.0022936 k( 262) = ( -0.4235137 0.5764863 0.0000000), wk = 0.0022936 k( 263) = ( -0.4171399 0.5828601 0.0000000), wk = 0.0022936 k( 264) = ( -0.4107660 0.5892340 -0.0000000), wk = 0.0022936 k( 265) = ( -0.4043922 0.5956078 -0.0000000), wk = 0.0022936 k( 266) = ( -0.3980183 0.6019817 -0.0000000), wk = 0.0022936 k( 267) = ( -0.3916444 0.6083556 -0.0000000), wk = 0.0022936 k( 268) = ( -0.3852706 0.6147294 0.0000000), wk = 0.0022936 k( 269) = ( -0.3788967 0.6211033 0.0000000), wk = 0.0022936 k( 270) = ( -0.3725229 0.6274771 -0.0000000), wk = 0.0022936 k( 271) = ( -0.3661490 0.6338510 -0.0000000), wk = 0.0022936 k( 272) = ( -0.3597752 0.6402248 -0.0000000), wk = 0.0022936 k( 273) = ( -0.3534013 0.6465987 0.0000000), wk = 0.0022936 k( 274) = ( -0.3470275 0.6529725 0.0000000), wk = 0.0022936 k( 275) = ( -0.3406536 0.6593464 -0.0000000), wk = 0.0022936 k( 276) = ( -0.3342797 0.6657203 0.0000000), wk = 0.0022936 k( 277) = ( -0.3279059 0.6720941 0.0000000), wk = 0.0022936 k( 278) = ( -0.3215320 0.6784680 -0.0000000), wk = 0.0022936 k( 279) = ( -0.3151582 0.6848418 -0.0000000), wk = 0.0022936 k( 280) = ( -0.3087843 0.6912157 -0.0000000), wk = 0.0022936 k( 281) = ( -0.3024104 0.6975896 0.0000000), wk = 0.0022936 k( 282) = ( -0.2960366 0.7039634 0.0000000), wk = 0.0022936 k( 283) = ( -0.2896627 0.7103373 0.0000000), wk = 0.0022936 k( 284) = ( -0.2896627 0.7103373 0.0000000), wk = 0.0022936 k( 285) = ( -0.2896627 0.7103373 0.0119048), wk = 0.0022936 k( 286) = ( -0.2896627 0.7103373 0.0238095), wk = 0.0022936 k( 287) = ( -0.2896627 0.7103373 0.0357143), wk = 0.0022936 k( 288) = ( -0.2896627 0.7103373 0.0476190), wk = 0.0022936 k( 289) = ( -0.2896627 0.7103373 0.0595238), wk = 0.0022936 k( 290) = ( -0.2896627 0.7103373 0.0714286), wk = 0.0022936 k( 291) = ( -0.2896627 0.7103373 0.0833333), wk = 0.0022936 k( 292) = ( -0.2896627 0.7103373 0.0952381), wk = 0.0022936 k( 293) = ( -0.2896627 0.7103373 0.1071429), wk = 0.0022936 k( 294) = ( -0.2896627 0.7103373 0.1190476), wk = 0.0022936 k( 295) = ( -0.2896627 0.7103373 0.1309524), wk = 0.0022936 k( 296) = ( -0.2896627 0.7103373 0.1428571), wk = 0.0022936 k( 297) = ( -0.2896627 0.7103373 0.1547619), wk = 0.0022936 k( 298) = ( -0.2896627 0.7103373 0.1666667), wk = 0.0022936 k( 299) = ( -0.2896627 0.7103373 0.1785714), wk = 0.0022936 k( 300) = ( -0.2896627 0.7103373 0.1904762), wk = 0.0022936 k( 301) = ( -0.2896627 0.7103373 0.2023809), wk = 0.0022936 k( 302) = ( -0.2896627 0.7103373 0.2142857), wk = 0.0022936 k( 303) = ( -0.2896627 0.7103373 0.2261905), wk = 0.0022936 k( 304) = ( -0.2896627 0.7103373 0.2380952), wk = 0.0022936 k( 305) = ( -0.2896627 0.7103373 0.2500000), wk = 0.0022936 k( 306) = ( -0.2896627 0.7103373 0.2619048), wk = 0.0022936 k( 307) = ( -0.2896627 0.7103373 0.2738095), wk = 0.0022936 k( 308) = ( -0.2896627 0.7103373 0.2857143), wk = 0.0022936 k( 309) = ( -0.2896627 0.7103373 0.2976190), wk = 0.0022936 k( 310) = ( -0.2896627 0.7103373 0.3095238), wk = 0.0022936 k( 311) = ( -0.2896627 0.7103373 0.3214286), wk = 0.0022936 k( 312) = ( -0.2896627 0.7103373 0.3333333), wk = 0.0022936 k( 313) = ( -0.2896627 0.7103373 0.3452381), wk = 0.0022936 k( 314) = ( -0.2896627 0.7103373 0.3571429), wk = 0.0022936 k( 315) = ( -0.2896627 0.7103373 0.3690476), wk = 0.0022936 k( 316) = ( -0.2896627 0.7103373 0.3809524), wk = 0.0022936 k( 317) = ( -0.2896627 0.7103373 0.3928571), wk = 0.0022936 k( 318) = ( -0.2896627 0.7103373 0.4047619), wk = 0.0022936 k( 319) = ( -0.2896627 0.7103373 0.4166667), wk = 0.0022936 k( 320) = ( -0.2896627 0.7103373 0.4285714), wk = 0.0022936 k( 321) = ( -0.2896627 0.7103373 0.4404762), wk = 0.0022936 k( 322) = ( -0.2896627 0.7103373 0.4523810), wk = 0.0022936 k( 323) = ( -0.2896627 0.7103373 0.4642857), wk = 0.0022936 k( 324) = ( -0.2896627 0.7103373 0.4761905), wk = 0.0022936 k( 325) = ( -0.2896627 0.7103373 0.4880952), wk = 0.0022936 k( 326) = ( -0.2896627 0.7103373 0.5000000), wk = 0.0022936 k( 327) = ( -0.2896627 0.7103373 0.5000000), wk = 0.0022936 k( 328) = ( -0.2960366 0.7039634 0.5000000), wk = 0.0022936 k( 329) = ( -0.3024104 0.6975896 0.5000000), wk = 0.0022936 k( 330) = ( -0.3087843 0.6912157 0.5000000), wk = 0.0022936 k( 331) = ( -0.3151582 0.6848418 0.5000000), wk = 0.0022936 k( 332) = ( -0.3215320 0.6784680 0.5000000), wk = 0.0022936 k( 333) = ( -0.3279059 0.6720941 0.5000000), wk = 0.0022936 k( 334) = ( -0.3342797 0.6657203 0.5000000), wk = 0.0022936 k( 335) = ( -0.3406536 0.6593464 0.5000000), wk = 0.0022936 k( 336) = ( -0.3470275 0.6529725 0.5000000), wk = 0.0022936 k( 337) = ( -0.3534013 0.6465987 0.5000000), wk = 0.0022936 k( 338) = ( -0.3597752 0.6402248 0.5000000), wk = 0.0022936 k( 339) = ( -0.3661490 0.6338510 0.5000000), wk = 0.0022936 k( 340) = ( -0.3725229 0.6274771 0.5000000), wk = 0.0022936 k( 341) = ( -0.3788967 0.6211033 0.5000000), wk = 0.0022936 k( 342) = ( -0.3852706 0.6147294 0.5000000), wk = 0.0022936 k( 343) = ( -0.3916444 0.6083556 0.5000000), wk = 0.0022936 k( 344) = ( -0.3980183 0.6019817 0.5000000), wk = 0.0022936 k( 345) = ( -0.4043922 0.5956078 0.5000000), wk = 0.0022936 k( 346) = ( -0.4107660 0.5892340 0.5000000), wk = 0.0022936 k( 347) = ( -0.4171399 0.5828601 0.5000000), wk = 0.0022936 k( 348) = ( -0.4235137 0.5764863 0.5000000), wk = 0.0022936 k( 349) = ( -0.4298876 0.5701124 0.5000000), wk = 0.0022936 k( 350) = ( -0.4362614 0.5637386 0.5000000), wk = 0.0022936 k( 351) = ( -0.4426353 0.5573647 0.5000000), wk = 0.0022936 k( 352) = ( -0.4490092 0.5509909 0.5000000), wk = 0.0022936 k( 353) = ( -0.4553830 0.5446170 0.5000000), wk = 0.0022936 k( 354) = ( -0.4617569 0.5382431 0.5000000), wk = 0.0022936 k( 355) = ( -0.4681307 0.5318693 0.5000000), wk = 0.0022936 k( 356) = ( -0.4745046 0.5254954 0.5000000), wk = 0.0022936 k( 357) = ( -0.4808784 0.5191216 0.5000000), wk = 0.0022936 k( 358) = ( -0.4872523 0.5127477 0.5000000), wk = 0.0022936 k( 359) = ( -0.4936261 0.5063739 0.5000000), wk = 0.0022936 k( 360) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022936 k( 361) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022936 k( 362) = ( -0.5000000 0.5000000 0.4880952), wk = 0.0022936 k( 363) = ( -0.5000000 0.5000000 0.4761905), wk = 0.0022936 k( 364) = ( -0.5000000 0.5000000 0.4642857), wk = 0.0022936 k( 365) = ( -0.5000000 0.5000000 0.4523809), wk = 0.0022936 k( 366) = ( -0.5000000 0.5000000 0.4404762), wk = 0.0022936 k( 367) = ( -0.5000000 0.5000000 0.4285714), wk = 0.0022936 k( 368) = ( -0.5000000 0.5000000 0.4166667), wk = 0.0022936 k( 369) = ( -0.5000000 0.5000000 0.4047619), wk = 0.0022936 k( 370) = ( -0.5000000 0.5000000 0.3928571), wk = 0.0022936 k( 371) = ( -0.5000000 0.5000000 0.3809524), wk = 0.0022936 k( 372) = ( -0.5000000 0.5000000 0.3690476), wk = 0.0022936 k( 373) = ( -0.5000000 0.5000000 0.3571429), wk = 0.0022936 k( 374) = ( -0.5000000 0.5000000 0.3452381), wk = 0.0022936 k( 375) = ( -0.5000000 0.5000000 0.3333333), wk = 0.0022936 k( 376) = ( -0.5000000 0.5000000 0.3214286), wk = 0.0022936 k( 377) = ( -0.5000000 0.5000000 0.3095238), wk = 0.0022936 k( 378) = ( -0.5000000 0.5000000 0.2976190), wk = 0.0022936 k( 379) = ( -0.5000000 0.5000000 0.2857143), wk = 0.0022936 k( 380) = ( -0.5000000 0.5000000 0.2738095), wk = 0.0022936 k( 381) = ( -0.5000000 0.5000000 0.2619048), wk = 0.0022936 k( 382) = ( -0.5000000 0.5000000 0.2500000), wk = 0.0022936 k( 383) = ( -0.5000000 0.5000000 0.2380952), wk = 0.0022936 k( 384) = ( -0.5000000 0.5000000 0.2261905), wk = 0.0022936 k( 385) = ( -0.5000000 0.5000000 0.2142857), wk = 0.0022936 k( 386) = ( -0.5000000 0.5000000 0.2023809), wk = 0.0022936 k( 387) = ( -0.5000000 0.5000000 0.1904762), wk = 0.0022936 k( 388) = ( -0.5000000 0.5000000 0.1785714), wk = 0.0022936 k( 389) = ( -0.5000000 0.5000000 0.1666667), wk = 0.0022936 k( 390) = ( -0.5000000 0.5000000 0.1547619), wk = 0.0022936 k( 391) = ( -0.5000000 0.5000000 0.1428571), wk = 0.0022936 k( 392) = ( -0.5000000 0.5000000 0.1309524), wk = 0.0022936 k( 393) = ( -0.5000000 0.5000000 0.1190476), wk = 0.0022936 k( 394) = ( -0.5000000 0.5000000 0.1071429), wk = 0.0022936 k( 395) = ( -0.5000000 0.5000000 0.0952381), wk = 0.0022936 k( 396) = ( -0.5000000 0.5000000 0.0833333), wk = 0.0022936 k( 397) = ( -0.5000000 0.5000000 0.0714286), wk = 0.0022936 k( 398) = ( -0.5000000 0.5000000 0.0595238), wk = 0.0022936 k( 399) = ( -0.5000000 0.5000000 0.0476191), wk = 0.0022936 k( 400) = ( -0.5000000 0.5000000 0.0357143), wk = 0.0022936 k( 401) = ( -0.5000000 0.5000000 0.0238095), wk = 0.0022936 k( 402) = ( -0.5000000 0.5000000 0.0119048), wk = 0.0022936 k( 403) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0022936 k( 404) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0022936 k( 405) = ( -0.0156250 0.0156250 0.5000000), wk = 0.0022936 k( 406) = ( -0.0312500 0.0312500 0.5000000), wk = 0.0022936 k( 407) = ( -0.0468750 0.0468750 0.5000000), wk = 0.0022936 k( 408) = ( -0.0625000 0.0625000 0.5000000), wk = 0.0022936 k( 409) = ( -0.0781250 0.0781250 0.5000000), wk = 0.0022936 k( 410) = ( -0.0937500 0.0937500 0.5000000), wk = 0.0022936 k( 411) = ( -0.1093750 0.1093750 0.5000000), wk = 0.0022936 k( 412) = ( -0.1250000 0.1250000 0.5000000), wk = 0.0022936 k( 413) = ( -0.1406250 0.1406250 0.5000000), wk = 0.0022936 k( 414) = ( -0.1562500 0.1562500 0.5000000), wk = 0.0022936 k( 415) = ( -0.1718750 0.1718750 0.5000000), wk = 0.0022936 k( 416) = ( -0.1875000 0.1875000 0.5000000), wk = 0.0022936 k( 417) = ( -0.2031250 0.2031250 0.5000000), wk = 0.0022936 k( 418) = ( -0.2187500 0.2187500 0.5000000), wk = 0.0022936 k( 419) = ( -0.2343750 0.2343750 0.5000000), wk = 0.0022936 k( 420) = ( -0.2500000 0.2500000 0.5000000), wk = 0.0022936 k( 421) = ( -0.2656250 0.2656250 0.5000000), wk = 0.0022936 k( 422) = ( -0.2812500 0.2812500 0.5000000), wk = 0.0022936 k( 423) = ( -0.2968750 0.2968750 0.5000000), wk = 0.0022936 k( 424) = ( -0.3125000 0.3125000 0.5000000), wk = 0.0022936 k( 425) = ( -0.3281250 0.3281250 0.5000000), wk = 0.0022936 k( 426) = ( -0.3437500 0.3437500 0.5000000), wk = 0.0022936 k( 427) = ( -0.3593750 0.3593750 0.5000000), wk = 0.0022936 k( 428) = ( -0.3750000 0.3750000 0.5000000), wk = 0.0022936 k( 429) = ( -0.3906250 0.3906250 0.5000000), wk = 0.0022936 k( 430) = ( -0.4062500 0.4062500 0.5000000), wk = 0.0022936 k( 431) = ( -0.4218750 0.4218750 0.5000000), wk = 0.0022936 k( 432) = ( -0.4375000 0.4375000 0.5000000), wk = 0.0022936 k( 433) = ( -0.4531250 0.4531250 0.5000000), wk = 0.0022936 k( 434) = ( -0.4687500 0.4687500 0.5000000), wk = 0.0022936 k( 435) = ( -0.4843750 0.4843750 0.5000000), wk = 0.0022936 k( 436) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0022936 Dense grid: 69677 G-vectors FFT dimensions: ( 72, 72, 45) Smooth grid: 25163 G-vectors FFT dimensions: ( 48, 48, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.08 Mb ( 144, 38) NL pseudopotentials 0.11 Mb ( 72, 96) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 1452) G-vector shells 0.01 Mb ( 736) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.33 Mb ( 144, 152) Each subspace H/S matrix 0.35 Mb ( 152, 152) Each matrix 0.11 Mb ( 96, 2, 38) Check: negative/imaginary core charge= -0.000004 0.000000 The potential is recalculated from file : ./ScGe.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 43.5 secs Computing kpt #: 2 total cpu time spent up to now is 46.1 secs Computing kpt #: 3 total cpu time spent up to now is 47.9 secs Computing kpt #: 4 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 50.4 secs Computing kpt #: 5 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 53.0 secs Computing kpt #: 6 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 55.6 secs Computing kpt #: 7 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 58.0 secs Computing kpt #: 8 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 60.3 secs Computing kpt #: 9 total cpu time spent up to now is 62.4 secs Computing kpt #: 10 total cpu time spent up to now is 63.9 secs Computing kpt #: 11 total cpu time spent up to now is 65.1 secs Computing kpt #: 12 total cpu time spent up to now is 66.4 secs Computing kpt #: 13 total cpu time spent up to now is 67.7 secs Computing kpt #: 14 total cpu time spent up to now is 69.1 secs Computing kpt #: 15 total cpu time spent up to now is 70.6 secs Computing kpt #: 16 total cpu time spent up to now is 72.3 secs Computing kpt #: 17 total cpu time spent up to now is 74.2 secs Computing kpt #: 18 total cpu time spent up to now is 75.4 secs Computing kpt #: 19 total cpu time spent up to now is 76.7 secs Computing kpt #: 20 total cpu time spent up to now is 78.0 secs Computing kpt #: 21 total cpu time spent up to now is 79.5 secs Computing kpt #: 22 total cpu time spent up to now is 81.0 secs Computing kpt #: 23 total cpu time spent up to now is 82.7 secs Computing kpt #: 24 total cpu time spent up to now is 84.2 secs Computing kpt #: 25 total cpu time spent up to now is 85.9 secs Computing kpt #: 26 total cpu time spent up to now is 87.6 secs Computing kpt #: 27 total cpu time spent up to now is 89.4 secs Computing kpt #: 28 total cpu time spent up to now is 91.2 secs Computing kpt #: 29 total cpu time spent up to now is 93.1 secs Computing kpt #: 30 total cpu time spent up to now is 95.0 secs Computing kpt #: 31 total cpu time spent up to now is 97.0 secs Computing kpt #: 32 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 99.4 secs Computing kpt #: 33 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 102.0 secs Computing kpt #: 34 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 104.6 secs Computing kpt #: 35 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 107.2 secs Computing kpt #: 36 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 109.7 secs Computing kpt #: 37 total cpu time spent up to now is 112.1 secs Computing kpt #: 38 total cpu time spent up to now is 114.2 secs Computing kpt #: 39 total cpu time spent up to now is 116.4 secs Computing kpt #: 40 total cpu time spent up to now is 118.4 secs Computing kpt #: 41 total cpu time spent up to now is 120.2 secs Computing kpt #: 42 total cpu time spent up to now is 122.0 secs Computing kpt #: 43 total cpu time spent up to now is 123.8 secs Computing kpt #: 44 total cpu time spent up to now is 125.9 secs Computing kpt #: 45 total cpu time spent up to now is 127.7 secs Computing kpt #: 46 total cpu time spent up to now is 129.5 secs Computing kpt #: 47 total cpu time spent up to now is 131.6 secs Computing kpt #: 48 total cpu time spent up to now is 133.5 secs Computing kpt #: 49 total cpu time spent up to now is 135.4 secs Computing kpt #: 50 total cpu time spent up to now is 137.3 secs Computing kpt #: 51 total cpu time spent up to now is 139.3 secs Computing kpt #: 52 total cpu time spent up to now is 141.1 secs Computing kpt #: 53 total cpu time spent up to now is 142.9 secs Computing kpt #: 54 total cpu time spent up to now is 144.5 secs Computing kpt #: 55 total cpu time spent up to now is 146.5 secs Computing kpt #: 56 total cpu time spent up to now is 148.2 secs Computing kpt #: 57 total cpu time spent up to now is 149.8 secs Computing kpt #: 58 total cpu time spent up to now is 151.7 secs Computing kpt #: 59 total cpu time spent up to now is 153.4 secs Computing kpt #: 60 total cpu time spent up to now is 155.2 secs Computing kpt #: 61 total cpu time spent up to now is 156.9 secs Computing kpt #: 62 total cpu time spent up to now is 158.8 secs Computing kpt #: 63 total cpu time spent up to now is 160.4 secs Computing kpt #: 64 total cpu time spent up to now is 162.1 secs Computing kpt #: 65 total cpu time spent up to now is 163.8 secs Computing kpt #: 66 total cpu time spent up to now is 165.6 secs Computing kpt #: 67 total cpu time spent up to now is 167.4 secs Computing kpt #: 68 total cpu time spent up to now is 169.1 secs Computing kpt #: 69 total cpu time spent up to now is 170.8 secs Computing kpt #: 70 total cpu time spent up to now is 172.3 secs Computing kpt #: 71 total cpu time spent up to now is 174.3 secs Computing kpt #: 72 total cpu time spent up to now is 176.1 secs Computing kpt #: 73 total cpu time spent up to now is 177.7 secs Computing kpt #: 74 total cpu time spent up to now is 179.3 secs Computing kpt #: 75 total cpu time spent up to now is 180.9 secs Computing kpt #: 76 total cpu time spent up to now is 182.6 secs Computing kpt #: 77 total cpu time spent up to now is 184.5 secs Computing kpt #: 78 total cpu time spent up to now is 186.1 secs Computing kpt #: 79 total cpu time spent up to now is 187.9 secs Computing kpt #: 80 total cpu time spent up to now is 189.6 secs Computing kpt #: 81 total cpu time spent up to now is 191.5 secs Computing kpt #: 82 total cpu time spent up to now is 193.3 secs Computing kpt #: 83 total cpu time spent up to now is 195.1 secs Computing kpt #: 84 total cpu time spent up to now is 196.8 secs Computing kpt #: 85 total cpu time spent up to now is 198.7 secs Computing kpt #: 86 total cpu time spent up to now is 200.5 secs Computing kpt #: 87 total cpu time spent up to now is 202.4 secs Computing kpt #: 88 total cpu time spent up to now is 204.2 secs Computing kpt #: 89 total cpu time spent up to now is 206.0 secs Computing kpt #: 90 total cpu time spent up to now is 208.1 secs Computing kpt #: 91 total cpu time spent up to now is 210.1 secs Computing kpt #: 92 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 212.7 secs Computing kpt #: 93 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 215.2 secs Computing kpt #: 94 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 217.9 secs Computing kpt #: 95 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 220.6 secs Computing kpt #: 96 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 223.2 secs Computing kpt #: 97 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 225.8 secs Computing kpt #: 98 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 228.6 secs Computing kpt #: 99 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 231.3 secs Computing kpt #: 100 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 234.2 secs Computing kpt #: 101 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 236.7 secs Computing kpt #: 102 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 239.4 secs Computing kpt #: 103 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 242.0 secs Computing kpt #: 104 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 244.6 secs Computing kpt #: 105 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 247.1 secs Computing kpt #: 106 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 249.8 secs Computing kpt #: 107 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 252.4 secs Computing kpt #: 108 total cpu time spent up to now is 254.0 secs Computing kpt #: 109 total cpu time spent up to now is 255.6 secs Computing kpt #: 110 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 258.0 secs Computing kpt #: 111 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 260.6 secs Computing kpt #: 112 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 263.8 secs Computing kpt #: 113 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 266.5 secs Computing kpt #: 114 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 269.0 secs Computing kpt #: 115 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 271.6 secs Computing kpt #: 116 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 274.1 secs Computing kpt #: 117 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 276.7 secs Computing kpt #: 118 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 279.3 secs Computing kpt #: 119 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 281.9 secs Computing kpt #: 120 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 284.4 secs Computing kpt #: 121 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 287.1 secs Computing kpt #: 122 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 289.6 secs Computing kpt #: 123 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 292.1 secs Computing kpt #: 124 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 294.6 secs Computing kpt #: 125 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 297.3 secs Computing kpt #: 126 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 299.8 secs Computing kpt #: 127 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 302.2 secs Computing kpt #: 128 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 304.8 secs Computing kpt #: 129 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 307.6 secs Computing kpt #: 130 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 310.1 secs Computing kpt #: 131 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 312.6 secs Computing kpt #: 132 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 315.1 secs Computing kpt #: 133 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 317.7 secs Computing kpt #: 134 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 320.4 secs Computing kpt #: 135 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 323.1 secs Computing kpt #: 136 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 325.7 secs Computing kpt #: 137 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 328.3 secs Computing kpt #: 138 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 330.8 secs Computing kpt #: 139 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 333.4 secs Computing kpt #: 140 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 335.9 secs Computing kpt #: 141 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 338.6 secs Computing kpt #: 142 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 341.2 secs Computing kpt #: 143 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 343.7 secs Computing kpt #: 144 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 346.4 secs Computing kpt #: 145 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 348.9 secs Computing kpt #: 146 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 351.5 secs Computing kpt #: 147 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 354.0 secs Computing kpt #: 148 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 357.1 secs Computing kpt #: 149 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 359.7 secs Computing kpt #: 150 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 362.3 secs Computing kpt #: 151 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 364.9 secs Computing kpt #: 152 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 367.6 secs Computing kpt #: 153 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 370.2 secs Computing kpt #: 154 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 372.8 secs Computing kpt #: 155 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 375.5 secs Computing kpt #: 156 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 378.3 secs Computing kpt #: 157 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 381.1 secs Computing kpt #: 158 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 383.9 secs Computing kpt #: 159 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 386.6 secs Computing kpt #: 160 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 389.4 secs Computing kpt #: 161 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 392.4 secs Computing kpt #: 162 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 395.2 secs Computing kpt #: 163 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 398.1 secs Computing kpt #: 164 c_bands: 5 eigenvalues not converged total cpu time spent up to now is 400.9 secs Computing kpt #: 165 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 403.7 secs Computing kpt #: 166 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 406.5 secs Computing kpt #: 167 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 409.5 secs Computing kpt #: 168 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 412.3 secs Computing kpt #: 169 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 415.1 secs Computing kpt #: 170 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 417.9 secs Computing kpt #: 171 c_bands: 4 eigenvalues not converged total cpu time spent up to now is 420.7 secs Computing kpt #: 172 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 423.4 secs Computing kpt #: 173 total cpu time spent up to now is 425.7 secs Computing kpt #: 174 total cpu time spent up to now is 427.9 secs Computing kpt #: 175 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 430.6 secs Computing kpt #: 176 total cpu time spent up to now is 433.2 secs Computing kpt #: 177 total cpu time spent up to now is 435.5 secs Computing kpt #: 178 total cpu time spent up to now is 437.7 secs Computing kpt #: 179 total cpu time spent up to now is 439.9 secs Computing kpt #: 180 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 442.6 secs Computing kpt #: 181 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 445.1 secs Computing kpt #: 182 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 447.8 secs Computing kpt #: 183 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 450.4 secs Computing kpt #: 184 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 452.9 secs Computing kpt #: 185 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 455.6 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 458.3 secs Computing kpt #: 187 total cpu time spent up to now is 460.4 secs Computing kpt #: 188 total cpu time spent up to now is 462.5 secs Computing kpt #: 189 total cpu time spent up to now is 464.9 secs Computing kpt #: 190 total cpu time spent up to now is 467.0 secs Computing kpt #: 191 total cpu time spent up to now is 469.1 secs Computing kpt #: 192 total cpu time spent up to now is 471.3 secs Computing kpt #: 193 total cpu time spent up to now is 473.4 secs Computing kpt #: 194 total cpu time spent up to now is 475.6 secs Computing kpt #: 195 total cpu time spent up to now is 477.8 secs Computing kpt #: 196 total cpu time spent up to now is 480.0 secs Computing kpt #: 197 total cpu time spent up to now is 482.1 secs Computing kpt #: 198 total cpu time spent up to now is 484.2 secs Computing kpt #: 199 total cpu time spent up to now is 486.6 secs Computing kpt #: 200 total cpu time spent up to now is 489.1 secs Computing kpt #: 201 total cpu time spent up to now is 491.6 secs Computing kpt #: 202 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 494.1 secs Computing kpt #: 203 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 496.6 secs Computing kpt #: 204 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 499.0 secs Computing kpt #: 205 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 501.5 secs Computing kpt #: 206 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 504.0 secs Computing kpt #: 207 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 506.5 secs Computing kpt #: 208 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 508.9 secs Computing kpt #: 209 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 511.4 secs Computing kpt #: 210 total cpu time spent up to now is 513.4 secs Computing kpt #: 211 total cpu time spent up to now is 515.4 secs Computing kpt #: 212 total cpu time spent up to now is 517.2 secs Computing kpt #: 213 total cpu time spent up to now is 519.0 secs Computing kpt #: 214 total cpu time spent up to now is 520.8 secs Computing kpt #: 215 total cpu time spent up to now is 522.5 secs Computing kpt #: 216 total cpu time spent up to now is 524.3 secs Computing kpt #: 217 total cpu time spent up to now is 526.3 secs Computing kpt #: 218 total cpu time spent up to now is 528.1 secs Computing kpt #: 219 total cpu time spent up to now is 530.0 secs Computing kpt #: 220 total cpu time spent up to now is 531.8 secs Computing kpt #: 221 total cpu time spent up to now is 533.8 secs Computing kpt #: 222 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 536.3 secs Computing kpt #: 223 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 539.0 secs Computing kpt #: 224 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 541.7 secs Computing kpt #: 225 total cpu time spent up to now is 543.6 secs Computing kpt #: 226 total cpu time spent up to now is 545.4 secs Computing kpt #: 227 total cpu time spent up to now is 547.4 secs Computing kpt #: 228 total cpu time spent up to now is 549.0 secs Computing kpt #: 229 total cpu time spent up to now is 550.6 secs Computing kpt #: 230 total cpu time spent up to now is 552.3 secs Computing kpt #: 231 total cpu time spent up to now is 553.8 secs Computing kpt #: 232 total cpu time spent up to now is 555.3 secs Computing kpt #: 233 total cpu time spent up to now is 556.9 secs Computing kpt #: 234 total cpu time spent up to now is 558.6 secs Computing kpt #: 235 total cpu time spent up to now is 560.1 secs Computing kpt #: 236 total cpu time spent up to now is 561.5 secs Computing kpt #: 237 total cpu time spent up to now is 563.1 secs Computing kpt #: 238 total cpu time spent up to now is 564.4 secs Computing kpt #: 239 total cpu time spent up to now is 565.6 secs Computing kpt #: 240 total cpu time spent up to now is 567.0 secs Computing kpt #: 241 total cpu time spent up to now is 568.3 secs Computing kpt #: 242 total cpu time spent up to now is 569.6 secs Computing kpt #: 243 total cpu time spent up to now is 570.9 secs Computing kpt #: 244 total cpu time spent up to now is 572.2 secs Computing kpt #: 245 total cpu time spent up to now is 573.5 secs Computing kpt #: 246 total cpu time spent up to now is 574.9 secs Computing kpt #: 247 total cpu time spent up to now is 576.3 secs Computing kpt #: 248 total cpu time spent up to now is 577.5 secs Computing kpt #: 249 total cpu time spent up to now is 578.9 secs Computing kpt #: 250 total cpu time spent up to now is 580.4 secs Computing kpt #: 251 total cpu time spent up to now is 581.9 secs Computing kpt #: 252 total cpu time spent up to now is 583.3 secs Computing kpt #: 253 total cpu time spent up to now is 585.0 secs Computing kpt #: 254 total cpu time spent up to now is 587.0 secs Computing kpt #: 255 total cpu time spent up to now is 589.3 secs Computing kpt #: 256 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 591.9 secs Computing kpt #: 257 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 594.4 secs Computing kpt #: 258 total cpu time spent up to now is 596.4 secs Computing kpt #: 259 total cpu time spent up to now is 598.0 secs Computing kpt #: 260 total cpu time spent up to now is 599.8 secs Computing kpt #: 261 total cpu time spent up to now is 601.5 secs Computing kpt #: 262 total cpu time spent up to now is 603.6 secs Computing kpt #: 263 total cpu time spent up to now is 605.4 secs Computing kpt #: 264 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 607.8 secs Computing kpt #: 265 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 610.3 secs Computing kpt #: 266 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 612.9 secs Computing kpt #: 267 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 615.4 secs Computing kpt #: 268 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 618.1 secs Computing kpt #: 269 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 620.8 secs Computing kpt #: 270 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 623.6 secs Computing kpt #: 271 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 626.9 secs Computing kpt #: 272 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 629.9 secs Computing kpt #: 273 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 632.6 secs Computing kpt #: 274 c_bands: 3 eigenvalues not converged total cpu time spent up to now is 635.5 secs Computing kpt #: 275 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 638.5 secs Computing kpt #: 276 total cpu time spent up to now is 640.7 secs Computing kpt #: 277 total cpu time spent up to now is 643.1 secs Computing kpt #: 278 total cpu time spent up to now is 645.1 secs Computing kpt #: 279 total cpu time spent up to now is 647.1 secs Computing kpt #: 280 total cpu time spent up to now is 648.9 secs Computing kpt #: 281 total cpu time spent up to now is 650.7 secs Computing kpt #: 282 total cpu time spent up to now is 652.4 secs Computing kpt #: 283 total cpu time spent up to now is 654.2 secs Computing kpt #: 284 total cpu time spent up to now is 656.1 secs Computing kpt #: 285 total cpu time spent up to now is 657.6 secs Computing kpt #: 286 total cpu time spent up to now is 659.2 secs Computing kpt #: 287 total cpu time spent up to now is 661.2 secs Computing kpt #: 288 total cpu time spent up to now is 663.1 secs Computing kpt #: 289 total cpu time spent up to now is 665.2 secs Computing kpt #: 290 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 667.9 secs Computing kpt #: 291 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 670.6 secs Computing kpt #: 292 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 673.5 secs Computing kpt #: 293 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 676.1 secs Computing kpt #: 294 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 678.8 secs Computing kpt #: 295 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 681.5 secs Computing kpt #: 296 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 684.4 secs Computing kpt #: 297 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 687.1 secs Computing kpt #: 298 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 689.9 secs Computing kpt #: 299 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 692.6 secs Computing kpt #: 300 total cpu time spent up to now is 694.9 secs Computing kpt #: 301 total cpu time spent up to now is 697.1 secs Computing kpt #: 302 total cpu time spent up to now is 699.3 secs Computing kpt #: 303 total cpu time spent up to now is 701.5 secs Computing kpt #: 304 total cpu time spent up to now is 703.9 secs Computing kpt #: 305 total cpu time spent up to now is 705.8 secs Computing kpt #: 306 total cpu time spent up to now is 708.1 secs Computing kpt #: 307 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 710.7 secs Computing kpt #: 308 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 713.9 secs Computing kpt #: 309 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 716.7 secs Computing kpt #: 310 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 719.5 secs Computing kpt #: 311 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 722.2 secs Computing kpt #: 312 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 724.9 secs Computing kpt #: 313 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 727.5 secs Computing kpt #: 314 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 730.1 secs Computing kpt #: 315 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 732.7 secs Computing kpt #: 316 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 735.2 secs Computing kpt #: 317 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 737.8 secs Computing kpt #: 318 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 740.3 secs Computing kpt #: 319 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 742.8 secs Computing kpt #: 320 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 745.3 secs Computing kpt #: 321 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 747.9 secs Computing kpt #: 322 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 750.4 secs Computing kpt #: 323 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 752.9 secs Computing kpt #: 324 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 755.4 secs Computing kpt #: 325 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 758.0 secs Computing kpt #: 326 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 760.4 secs Computing kpt #: 327 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 762.9 secs Computing kpt #: 328 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 765.3 secs Computing kpt #: 329 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 767.7 secs Computing kpt #: 330 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 770.1 secs Computing kpt #: 331 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 772.6 secs Computing kpt #: 332 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 775.2 secs Computing kpt #: 333 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 777.6 secs Computing kpt #: 334 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 780.1 secs Computing kpt #: 335 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 782.6 secs Computing kpt #: 336 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 785.1 secs Computing kpt #: 337 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 787.6 secs Computing kpt #: 338 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 790.1 secs Computing kpt #: 339 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 792.6 secs Computing kpt #: 340 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 795.7 secs Computing kpt #: 341 total cpu time spent up to now is 797.4 secs Computing kpt #: 342 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 799.7 secs Computing kpt #: 343 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 802.2 secs Computing kpt #: 344 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 804.6 secs Computing kpt #: 345 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 807.1 secs Computing kpt #: 346 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 810.3 secs Computing kpt #: 347 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 812.7 secs Computing kpt #: 348 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 815.2 secs Computing kpt #: 349 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 817.6 secs Computing kpt #: 350 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 820.2 secs Computing kpt #: 351 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 822.7 secs Computing kpt #: 352 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 825.2 secs Computing kpt #: 353 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 827.7 secs Computing kpt #: 354 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 830.2 secs Computing kpt #: 355 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 832.7 secs Computing kpt #: 356 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 835.1 secs Computing kpt #: 357 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 837.8 secs Computing kpt #: 358 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 840.2 secs Computing kpt #: 359 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 842.6 secs Computing kpt #: 360 total cpu time spent up to now is 844.0 secs Computing kpt #: 361 total cpu time spent up to now is 845.3 secs Computing kpt #: 362 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 847.7 secs Computing kpt #: 363 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 850.0 secs Computing kpt #: 364 total cpu time spent up to now is 852.5 secs Computing kpt #: 365 total cpu time spent up to now is 854.4 secs Computing kpt #: 366 total cpu time spent up to now is 855.9 secs Computing kpt #: 367 total cpu time spent up to now is 857.4 secs Computing kpt #: 368 total cpu time spent up to now is 858.8 secs Computing kpt #: 369 total cpu time spent up to now is 860.2 secs Computing kpt #: 370 total cpu time spent up to now is 861.8 secs Computing kpt #: 371 total cpu time spent up to now is 863.5 secs Computing kpt #: 372 total cpu time spent up to now is 865.0 secs Computing kpt #: 373 total cpu time spent up to now is 867.3 secs Computing kpt #: 374 c_bands: 2 eigenvalues not converged total cpu time spent up to now is 869.8 secs Computing kpt #: 375 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 872.2 secs Computing kpt #: 376 total cpu time spent up to now is 874.1 secs Computing kpt #: 377 total cpu time spent up to now is 875.8 secs Computing kpt #: 378 total cpu time spent up to now is 877.4 secs Computing kpt #: 379 total cpu time spent up to now is 878.9 secs Computing kpt #: 380 total cpu time spent up to now is 880.2 secs Computing kpt #: 381 total cpu time spent up to now is 881.3 secs Computing kpt #: 382 total cpu time spent up to now is 882.6 secs Computing kpt #: 383 total cpu time spent up to now is 883.8 secs Computing kpt #: 384 total cpu time spent up to now is 885.1 secs Computing kpt #: 385 total cpu time spent up to now is 886.3 secs Computing kpt #: 386 total cpu time spent up to now is 887.4 secs Computing kpt #: 387 total cpu time spent up to now is 888.6 secs Computing kpt #: 388 total cpu time spent up to now is 889.8 secs Computing kpt #: 389 total cpu time spent up to now is 891.0 secs Computing kpt #: 390 total cpu time spent up to now is 892.2 secs Computing kpt #: 391 total cpu time spent up to now is 893.4 secs Computing kpt #: 392 total cpu time spent up to now is 894.6 secs Computing kpt #: 393 total cpu time spent up to now is 896.0 secs Computing kpt #: 394 total cpu time spent up to now is 897.2 secs Computing kpt #: 395 total cpu time spent up to now is 898.6 secs Computing kpt #: 396 total cpu time spent up to now is 899.8 secs Computing kpt #: 397 total cpu time spent up to now is 901.1 secs Computing kpt #: 398 total cpu time spent up to now is 902.2 secs Computing kpt #: 399 total cpu time spent up to now is 903.4 secs Computing kpt #: 400 total cpu time spent up to now is 904.7 secs Computing kpt #: 401 total cpu time spent up to now is 905.9 secs Computing kpt #: 402 total cpu time spent up to now is 907.4 secs Computing kpt #: 403 total cpu time spent up to now is 909.0 secs Computing kpt #: 404 total cpu time spent up to now is 911.3 secs Computing kpt #: 405 total cpu time spent up to now is 913.6 secs Computing kpt #: 406 total cpu time spent up to now is 915.8 secs Computing kpt #: 407 total cpu time spent up to now is 917.9 secs Computing kpt #: 408 total cpu time spent up to now is 919.8 secs Computing kpt #: 409 total cpu time spent up to now is 921.6 secs Computing kpt #: 410 total cpu time spent up to now is 923.3 secs Computing kpt #: 411 total cpu time spent up to now is 924.9 secs Computing kpt #: 412 total cpu time spent up to now is 926.7 secs Computing kpt #: 413 total cpu time spent up to now is 928.3 secs Computing kpt #: 414 total cpu time spent up to now is 929.9 secs Computing kpt #: 415 total cpu time spent up to now is 931.5 secs Computing kpt #: 416 total cpu time spent up to now is 933.1 secs Computing kpt #: 417 total cpu time spent up to now is 934.7 secs Computing kpt #: 418 total cpu time spent up to now is 936.4 secs Computing kpt #: 419 total cpu time spent up to now is 938.5 secs Computing kpt #: 420 total cpu time spent up to now is 940.4 secs Computing kpt #: 421 total cpu time spent up to now is 942.5 secs Computing kpt #: 422 total cpu time spent up to now is 944.4 secs Computing kpt #: 423 total cpu time spent up to now is 946.1 secs Computing kpt #: 424 total cpu time spent up to now is 947.7 secs Computing kpt #: 425 total cpu time spent up to now is 949.3 secs Computing kpt #: 426 total cpu time spent up to now is 950.7 secs Computing kpt #: 427 total cpu time spent up to now is 952.2 secs Computing kpt #: 428 total cpu time spent up to now is 954.0 secs Computing kpt #: 429 total cpu time spent up to now is 955.7 secs Computing kpt #: 430 total cpu time spent up to now is 957.5 secs Computing kpt #: 431 total cpu time spent up to now is 959.3 secs Computing kpt #: 432 total cpu time spent up to now is 961.5 secs Computing kpt #: 433 total cpu time spent up to now is 962.9 secs Computing kpt #: 434 total cpu time spent up to now is 964.2 secs Computing kpt #: 435 total cpu time spent up to now is 965.5 secs Computing kpt #: 436 total cpu time spent up to now is 966.9 secs ethr = 3.33E-11, avg # of iterations = 87.9 total cpu time spent up to now is 966.9 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3133 PWs) bands (ev): -39.2769 -39.2769 -39.2474 -39.2474 -18.2941 -18.2941 -18.2019 -18.2019 -17.8167 -17.8167 -17.7557 -17.7557 -17.7161 -17.7161 -17.6624 -17.6624 -1.4988 -1.4988 3.3804 3.3804 6.8580 6.8580 8.0824 8.0824 8.6037 8.6037 9.2106 9.2106 10.3225 10.3225 10.8095 10.8095 11.3685 11.3685 12.0261 12.0261 12.1678 12.1678 k = 0.0063 0.0158-0.0000 ( 3145 PWs) bands (ev): -39.2769 -39.2769 -39.2474 -39.2474 -18.2942 -18.2942 -18.2020 -18.2020 -17.8167 -17.8167 -17.7558 -17.7558 -17.7162 -17.7162 -17.6624 -17.6624 -1.4977 -1.4977 3.3814 3.3814 6.8547 6.8547 8.0804 8.0804 8.6027 8.6027 9.2096 9.2096 10.3273 10.3273 10.8058 10.8058 11.3641 11.3641 12.0193 12.0193 12.1756 12.1756 k = 0.0126 0.0316-0.0000 ( 3145 PWs) bands (ev): -39.2768 -39.2768 -39.2474 -39.2474 -18.2941 -18.2941 -18.2021 -18.2021 -17.8167 -17.8167 -17.7558 -17.7558 -17.7163 -17.7163 -17.6625 -17.6625 -1.4947 -1.4947 3.3846 3.3846 6.8448 6.8448 8.0749 8.0749 8.5998 8.5998 9.2071 9.2071 10.3416 10.3416 10.7949 10.7949 11.3516 11.3516 11.9997 11.9997 12.1983 12.1983 k = 0.0189 0.0474-0.0000 ( 3149 PWs) bands (ev): -39.2768 -39.2768 -39.2474 -39.2474 -18.2941 -18.2941 -18.2024 -18.2024 -17.8167 -17.8167 -17.7559 -17.7559 -17.7166 -17.7166 -17.6625 -17.6625 -1.4897 -1.4897 3.3897 3.3897 6.8283 6.8283 8.0660 8.0660 8.5949 8.5949 9.2026 9.2026 10.3651 10.3651 10.7774 10.7774 11.3322 11.3322 11.9688 11.9688 12.2345 12.2345 k = 0.0252 0.0632-0.0000 ( 3149 PWs) bands (ev): -39.2767 -39.2767 -39.2475 -39.2475 -18.2941 -18.2941 -18.2027 -18.2027 -17.8166 -17.8166 -17.7560 -17.7560 -17.7169 -17.7169 -17.6625 -17.6625 -1.4826 -1.4826 3.3970 3.3970 6.8053 6.8053 8.0544 8.0544 8.5881 8.5881 9.1958 9.1958 10.3970 10.3970 10.7542 10.7542 11.3081 11.3081 11.9285 11.9285 12.2822 12.2822 k = 0.0315 0.0790-0.0000 ( 3153 PWs) bands (ev): -39.2767 -39.2767 -39.2475 -39.2475 -18.2940 -18.2940 -18.2031 -18.2031 -17.8165 -17.8165 -17.7561 -17.7561 -17.7173 -17.7173 -17.6626 -17.6626 -1.4736 -1.4736 3.4063 3.4063 6.7757 6.7757 8.0409 8.0409 8.5794 8.5794 9.1862 9.1862 10.4368 10.4368 10.7263 10.7263 11.2809 11.2809 11.8808 11.8808 12.3396 12.3397 k = 0.0378 0.0949-0.0000 ( 3153 PWs) bands (ev): -39.2766 -39.2766 -39.2475 -39.2475 -18.2939 -18.2939 -18.2036 -18.2036 -17.8164 -17.8164 -17.7562 -17.7562 -17.7178 -17.7178 -17.6627 -17.6627 -1.4626 -1.4626 3.4175 3.4175 6.7398 6.7398 8.0262 8.0262 8.5688 8.5688 9.1734 9.1734 10.4836 10.4836 10.6954 10.6954 11.2524 11.2524 11.8277 11.8277 12.4048 12.4136 k = 0.0441 0.1107-0.0000 ( 3161 PWs) bands (ev): -39.2765 -39.2765 -39.2476 -39.2476 -18.2939 -18.2939 -18.2042 -18.2042 -17.8163 -17.8163 -17.7564 -17.7564 -17.7184 -17.7184 -17.6628 -17.6628 -1.4498 -1.4498 3.4307 3.4307 6.6976 6.6976 8.0110 8.0110 8.5564 8.5564 9.1564 9.1564 10.5364 10.5364 10.6628 10.6628 11.2238 11.2238 11.7706 11.7706 12.4074 12.4074 k = 0.0504 0.1265-0.0000 ( 3157 PWs) bands (ev): -39.2764 -39.2764 -39.2476 -39.2476 -18.2938 -18.2938 -18.2048 -18.2048 -17.8162 -17.8162 -17.7566 -17.7566 -17.7190 -17.7190 -17.6629 -17.6629 -1.4350 -1.4350 3.4458 3.4458 6.6496 6.6496 7.9961 7.9961 8.5423 8.5423 9.1347 9.1347 10.5944 10.5944 10.6306 10.6306 11.1961 11.1961 11.7108 11.7108 12.3922 12.3922 k = 0.0567 0.1423-0.0000 ( 3157 PWs) bands (ev): -39.2762 -39.2762 -39.2477 -39.2477 -18.2937 -18.2937 -18.2056 -18.2056 -17.8160 -17.8160 -17.7567 -17.7567 -17.7197 -17.7197 -17.6630 -17.6630 -1.4185 -1.4185 3.4627 3.4627 6.5961 6.5961 7.9819 7.9819 8.5265 8.5265 9.1075 9.1075 10.5998 10.5998 10.6573 10.6573 11.1699 11.1699 11.6493 11.6493 12.3752 12.3752 k = 0.0630 0.1581-0.0000 ( 3155 PWs) bands (ev): -39.2761 -39.2761 -39.2477 -39.2477 -18.2935 -18.2935 -18.2064 -18.2064 -17.8158 -17.8158 -17.7570 -17.7570 -17.7204 -17.7204 -17.6631 -17.6631 -1.4002 -1.4002 3.4813 3.4813 6.5375 6.5375 7.9688 7.9688 8.5092 8.5092 9.0741 9.0741 10.5727 10.5727 10.7233 10.7233 11.1459 11.1459 11.5867 11.5867 12.3564 12.3564 k = 0.0693 0.1739-0.0000 ( 3159 PWs) bands (ev): -39.2759 -39.2759 -39.2478 -39.2478 -18.2934 -18.2934 -18.2073 -18.2073 -17.8157 -17.8157 -17.7572 -17.7572 -17.7212 -17.7212 -17.6633 -17.6633 -1.3802 -1.3802 3.5017 3.5017 6.4744 6.4744 7.9571 7.9571 8.4904 8.4904 9.0341 9.0341 10.5504 10.5504 10.7923 10.7923 11.1244 11.1244 11.5238 11.5238 12.3360 12.3360 k = 0.0756 0.1897-0.0000 ( 3147 PWs) bands (ev): -39.2757 -39.2757 -39.2479 -39.2479 -18.2932 -18.2932 -18.2082 -18.2082 -17.8154 -17.8154 -17.7574 -17.7574 -17.7221 -17.7221 -17.6634 -17.6634 -1.3586 -1.3586 3.5236 3.5236 6.4074 6.4074 7.9471 7.9471 8.4703 8.4703 8.9872 8.9872 10.5341 10.5341 10.8636 10.8636 11.1056 11.1056 11.4610 11.4610 12.3141 12.3141 k = 0.0819 0.2055-0.0000 ( 3147 PWs) bands (ev): -39.2756 -39.2756 -39.2480 -39.2480 -18.2930 -18.2930 -18.2093 -18.2093 -17.8152 -17.8152 -17.7577 -17.7577 -17.7229 -17.7229 -17.6636 -17.6636 -1.3355 -1.3355 3.5469 3.5469 6.3371 6.3371 7.9387 7.9387 8.4489 8.4489 8.9334 8.9334 10.5244 10.5244 10.9364 10.9364 11.0897 11.0897 11.3987 11.3987 12.2909 12.2909 k = 0.0882 0.2213-0.0000 ( 3139 PWs) bands (ev): -39.2753 -39.2753 -39.2480 -39.2480 -18.2928 -18.2928 -18.2104 -18.2104 -17.8149 -17.8149 -17.7580 -17.7580 -17.7238 -17.7238 -17.6638 -17.6638 -1.3109 -1.3109 3.5716 3.5716 6.2640 6.2640 7.9320 7.9320 8.4264 8.4264 8.8731 8.8731 10.5217 10.5217 11.0103 11.0103 11.0768 11.0768 11.3373 11.3373 12.2664 12.2664 k = 0.0945 0.2371-0.0000 ( 3139 PWs) bands (ev): -39.2751 -39.2751 -39.2481 -39.2481 -18.2926 -18.2926 -18.2115 -18.2115 -17.8147 -17.8147 -17.7583 -17.7583 -17.7247 -17.7247 -17.6641 -17.6641 -1.2850 -1.2850 3.5974 3.5974 6.1889 6.1889 7.9269 7.9269 8.4029 8.4029 8.8069 8.8069 10.5261 10.5261 11.0668 11.0668 11.0846 11.0846 11.2774 11.2774 12.2408 12.2408 k = 0.1008 0.2529-0.0000 ( 3131 PWs) bands (ev): -39.2749 -39.2749 -39.2482 -39.2482 -18.2924 -18.2924 -18.2127 -18.2127 -17.8144 -17.8144 -17.7586 -17.7586 -17.7256 -17.7256 -17.6643 -17.6643 -1.2578 -1.2578 3.6243 3.6243 6.1122 6.1122 7.9233 7.9233 8.3786 8.3786 8.7357 8.7357 10.5375 10.5375 11.0602 11.0602 11.1563 11.1563 11.2214 11.2214 12.2142 12.2142 k = 0.1070 0.2688-0.0000 ( 3127 PWs) bands (ev): -39.2747 -39.2747 -39.2484 -39.2484 -18.2921 -18.2921 -18.2140 -18.2140 -17.8141 -17.8141 -17.7589 -17.7589 -17.7265 -17.7265 -17.6646 -17.6646 -1.2295 -1.2295 3.6520 3.6520 6.0346 6.0346 7.9211 7.9211 8.3535 8.3535 8.6604 8.6604 10.5554 10.5554 11.0564 11.0564 11.1556 11.1556 11.2391 11.2391 12.1868 12.1868 k = 0.1133 0.2846-0.0000 ( 3125 PWs) bands (ev): -39.2744 -39.2744 -39.2485 -39.2485 -18.2919 -18.2919 -18.2153 -18.2153 -17.8138 -17.8138 -17.7593 -17.7593 -17.7274 -17.7274 -17.6649 -17.6649 -1.2002 -1.2002 3.6803 3.6803 5.9566 5.9566 7.9203 7.9203 8.3277 8.3277 8.5821 8.5821 10.5794 10.5794 11.0554 11.0554 11.1019 11.1019 11.3109 11.3109 12.1589 12.1589 k = 0.1196 0.3004-0.0000 ( 3127 PWs) bands (ev): -39.2742 -39.2742 -39.2486 -39.2486 -18.2916 -18.2916 -18.2166 -18.2166 -17.8135 -17.8135 -17.7597 -17.7597 -17.7283 -17.7283 -17.6653 -17.6653 -1.1700 -1.1700 3.7091 3.7091 5.8788 5.8788 7.9206 7.9206 8.3010 8.3010 8.5023 8.5023 10.6088 10.6088 11.0467 11.0467 11.0590 11.0590 11.3831 11.3831 12.1304 12.1304 k = 0.1259 0.3162-0.0000 ( 3135 PWs) bands (ev): -39.2739 -39.2739 -39.2487 -39.2487 -18.2913 -18.2913 -18.2180 -18.2180 -17.8131 -17.8131 -17.7602 -17.7602 -17.7292 -17.7292 -17.6657 -17.6657 -1.1391 -1.1391 3.7381 3.7381 5.8016 5.8016 7.9220 7.9220 8.2730 8.2730 8.4225 8.4225 10.6431 10.6431 10.9957 10.9957 11.0629 11.0629 11.4538 11.4538 12.1019 12.1019 k = 0.1322 0.3320-0.0000 ( 3127 PWs) bands (ev): -39.2737 -39.2737 -39.2489 -39.2489 -18.2910 -18.2910 -18.2194 -18.2194 -17.8128 -17.8128 -17.7607 -17.7607 -17.7299 -17.7299 -17.6660 -17.6660 -1.1076 -1.1076 3.7669 3.7669 5.7255 5.7255 7.9242 7.9242 8.2420 8.2420 8.3457 8.3457 10.6817 10.6817 10.9459 10.9459 11.0704 11.0704 11.5221 11.5221 12.0737 12.0737 k = 0.1385 0.3478-0.0000 ( 3125 PWs) bands (ev): -39.2734 -39.2734 -39.2490 -39.2490 -18.2906 -18.2906 -18.2208 -18.2208 -17.8124 -17.8124 -17.7612 -17.7612 -17.7307 -17.7307 -17.6665 -17.6665 -1.0756 -1.0756 3.7954 3.7954 5.6509 5.6509 7.9271 7.9271 8.2024 8.2024 8.2787 8.2787 10.7238 10.7238 10.8985 10.8985 11.0805 11.0805 11.5871 11.5871 12.0464 12.0464 k = 0.1448 0.3636-0.0000 ( 3125 PWs) bands (ev): -39.2731 -39.2731 -39.2492 -39.2492 -18.2902 -18.2902 -18.2223 -18.2223 -17.8120 -17.8120 -17.7617 -17.7617 -17.7313 -17.7313 -17.6669 -17.6669 -1.0434 -1.0434 3.8232 3.8232 5.5783 5.5783 7.9301 7.9301 8.1459 8.1459 8.2311 8.2311 10.7678 10.7678 10.8545 10.8545 11.0930 11.0930 11.6469 11.6469 12.0216 12.0216 k = 0.1511 0.3794-0.0000 ( 3127 PWs) bands (ev): -39.2728 -39.2728 -39.2494 -39.2494 -18.2898 -18.2898 -18.2238 -18.2238 -17.8116 -17.8116 -17.7624 -17.7624 -17.7319 -17.7319 -17.6674 -17.6674 -1.0111 -1.0111 3.8500 3.8500 5.5080 5.5080 7.9320 7.9320 8.0794 8.0794 8.1982 8.1982 10.7950 10.7950 10.8323 10.8323 11.1078 11.1078 11.6988 11.6988 12.0015 12.0015 k = 0.1574 0.3952-0.0000 ( 3125 PWs) bands (ev): -39.2725 -39.2725 -39.2495 -39.2495 -18.2894 -18.2894 -18.2253 -18.2253 -17.8111 -17.8111 -17.7630 -17.7630 -17.7324 -17.7324 -17.6679 -17.6679 -0.9789 -0.9789 3.8753 3.8753 5.4405 5.4405 7.9285 7.9285 8.0168 8.0168 8.1714 8.1714 10.7631 10.7631 10.8737 10.8737 11.1247 11.1247 11.7379 11.7379 11.9910 11.9910 k = 0.1637 0.4110-0.0000 ( 3125 PWs) bands (ev): -39.2722 -39.2722 -39.2497 -39.2497 -18.2889 -18.2889 -18.2267 -18.2267 -17.8107 -17.8107 -17.7636 -17.7636 -17.7328 -17.7328 -17.6685 -17.6685 -0.9470 -0.9470 3.8987 3.8987 5.3760 5.3760 7.9023 7.9023 7.9793 7.9793 8.1476 8.1476 10.7256 10.7256 10.9249 10.9249 11.1437 11.1437 11.7579 11.7579 11.9957 11.9957 k = 0.1700 0.4269-0.0000 ( 3115 PWs) bands (ev): -39.2719 -39.2719 -39.2499 -39.2499 -18.2884 -18.2884 -18.2281 -18.2281 -17.8101 -17.8101 -17.7643 -17.7643 -17.7331 -17.7331 -17.6690 -17.6690 -0.9155 -0.9155 3.9200 3.9200 5.3151 5.3151 7.8497 7.8497 7.9721 7.9721 8.1260 8.1260 10.6898 10.6898 10.9781 10.9781 11.1646 11.1646 11.7568 11.7568 12.0175 12.0175 k = 0.1763 0.4427-0.0000 ( 3119 PWs) bands (ev): -39.2716 -39.2716 -39.2501 -39.2501 -18.2879 -18.2879 -18.2296 -18.2296 -17.8096 -17.8096 -17.7651 -17.7651 -17.7334 -17.7334 -17.6697 -17.6697 -0.8847 -0.8847 3.9385 3.9385 5.2579 5.2579 7.7926 7.7926 7.9741 7.9741 8.1065 8.1065 10.6561 10.6561 11.0322 11.0322 11.1871 11.1871 11.7399 11.7399 12.0507 12.0507 k = 0.1826 0.4585-0.0000 ( 3119 PWs) bands (ev): -39.2713 -39.2713 -39.2503 -39.2503 -18.2874 -18.2874 -18.2310 -18.2310 -17.8091 -17.8091 -17.7658 -17.7658 -17.7335 -17.7335 -17.6703 -17.6703 -0.8548 -0.8548 3.9540 3.9540 5.2048 5.2048 7.7387 7.7387 7.9778 7.9778 8.0897 8.0897 10.6250 10.6250 11.0864 11.0864 11.2113 11.2113 11.7133 11.7133 12.0887 12.0887 k = 0.1889 0.4743-0.0000 ( 3125 PWs) bands (ev): -39.2710 -39.2710 -39.2505 -39.2505 -18.2868 -18.2868 -18.2324 -18.2324 -17.8085 -17.8085 -17.7666 -17.7666 -17.7336 -17.7336 -17.6710 -17.6710 -0.8259 -0.8259 3.9660 3.9660 5.1560 5.1560 7.6904 7.6904 7.9807 7.9807 8.0764 8.0764 10.5964 10.5964 11.1402 11.1402 11.2369 11.2369 11.6811 11.6811 12.1271 12.1271 k = 0.1952 0.4901-0.0000 ( 3121 PWs) bands (ev): -39.2707 -39.2707 -39.2508 -39.2508 -18.2862 -18.2862 -18.2338 -18.2338 -17.8079 -17.8079 -17.7674 -17.7674 -17.7336 -17.7336 -17.6717 -17.6717 -0.7983 -0.7983 3.9741 3.9741 5.1121 5.1121 7.6487 7.6487 7.9812 7.9812 8.0678 8.0678 10.5705 10.5705 11.1930 11.1930 11.2638 11.2638 11.6455 11.6455 12.1636 12.1636 k = 0.2015 0.5059-0.0000 ( 3119 PWs) bands (ev): -39.2704 -39.2704 -39.2510 -39.2510 -18.2856 -18.2856 -18.2351 -18.2351 -17.8072 -17.8072 -17.7682 -17.7682 -17.7336 -17.7336 -17.6724 -17.6724 -0.7722 -0.7722 3.9779 3.9779 5.0731 5.0731 7.6143 7.6143 7.9784 7.9784 8.0646 8.0646 10.5472 10.5472 11.2441 11.2441 11.2919 11.2919 11.6074 11.6074 12.1664 12.1664 k = 0.2078 0.5217-0.0000 ( 3109 PWs) bands (ev): -39.2701 -39.2701 -39.2512 -39.2512 -18.2849 -18.2849 -18.2364 -18.2364 -17.8065 -17.8065 -17.7689 -17.7689 -17.7334 -17.7334 -17.6731 -17.6731 -0.7477 -0.7477 3.9772 3.9772 5.0393 5.0393 7.5878 7.5878 7.9725 7.9725 8.0666 8.0666 10.5266 10.5266 11.2930 11.2930 11.3213 11.3213 11.5676 11.5676 12.1441 12.1441 k = 0.2141 0.5375-0.0000 ( 3113 PWs) bands (ev): -39.2698 -39.2698 -39.2515 -39.2515 -18.2842 -18.2842 -18.2377 -18.2377 -17.8058 -17.8058 -17.7696 -17.7696 -17.7332 -17.7332 -17.6739 -17.6739 -0.7250 -0.7250 3.9717 3.9717 5.0110 5.0110 7.5696 7.5696 7.9646 7.9646 8.0725 8.0725 10.5086 10.5086 11.3381 11.3381 11.3527 11.3527 11.5265 11.5265 12.1202 12.1202 k = 0.2204 0.5533-0.0000 ( 3121 PWs) bands (ev): -39.2695 -39.2695 -39.2517 -39.2517 -18.2835 -18.2835 -18.2389 -18.2389 -17.8051 -17.8051 -17.7704 -17.7704 -17.7330 -17.7330 -17.6747 -17.6747 -0.7043 -0.7043 3.9613 3.9613 4.9884 4.9884 7.5599 7.5599 7.9560 7.9560 8.0809 8.0809 10.4934 10.4934 11.3754 11.3754 11.3890 11.3890 11.4846 11.4846 12.0936 12.0936 k = 0.2267 0.5691-0.0000 ( 3125 PWs) bands (ev): -39.2692 -39.2692 -39.2520 -39.2520 -18.2828 -18.2828 -18.2401 -18.2401 -17.8044 -17.8044 -17.7711 -17.7711 -17.7327 -17.7327 -17.6755 -17.6755 -0.6857 -0.6857 3.9459 3.9459 4.9717 4.9717 7.5589 7.5589 7.9477 7.9477 8.0910 8.0910 10.4809 10.4809 11.4041 11.4041 11.4277 11.4277 11.4454 11.4454 12.0629 12.0629 k = 0.2330 0.5849-0.0000 ( 3127 PWs) bands (ev): -39.2689 -39.2689 -39.2522 -39.2522 -18.2820 -18.2820 -18.2412 -18.2412 -17.8036 -17.8036 -17.7717 -17.7717 -17.7324 -17.7324 -17.6764 -17.6764 -0.6694 -0.6694 3.9256 3.9256 4.9611 4.9611 7.5666 7.5666 7.9403 7.9403 8.1022 8.1022 10.4711 10.4711 11.3903 11.3903 11.4459 11.4459 11.4653 11.4653 12.0267 12.0267 k = 0.2393 0.6008-0.0000 ( 3133 PWs) bands (ev): -39.2686 -39.2686 -39.2525 -39.2525 -18.2812 -18.2812 -18.2422 -18.2422 -17.8028 -17.8028 -17.7724 -17.7724 -17.7321 -17.7321 -17.6772 -17.6772 -0.6555 -0.6555 3.9004 3.9004 4.9566 4.9566 7.5829 7.5829 7.9341 7.9341 8.1143 8.1143 10.4641 10.4641 11.3475 11.3475 11.4753 11.4753 11.4991 11.4991 11.9842 11.9842 k = 0.2456 0.6166-0.0000 ( 3133 PWs) bands (ev): -39.2683 -39.2683 -39.2528 -39.2528 -18.2804 -18.2804 -18.2432 -18.2432 -17.8019 -17.8019 -17.7729 -17.7729 -17.7317 -17.7317 -17.6781 -17.6781 -0.6440 -0.6440 3.8706 3.8706 4.9585 4.9585 7.6076 7.6076 7.9292 7.9292 8.1269 8.1269 10.4599 10.4599 11.3024 11.3024 11.5062 11.5062 11.5297 11.5297 11.9348 11.9348 k = 0.2519 0.6324-0.0000 ( 3129 PWs) bands (ev): -39.2680 -39.2680 -39.2531 -39.2531 -18.2795 -18.2795 -18.2441 -18.2441 -17.8011 -17.8011 -17.7734 -17.7734 -17.7312 -17.7312 -17.6790 -17.6790 -0.6350 -0.6350 3.8365 3.8365 4.9668 4.9668 7.6404 7.6404 7.9261 7.9261 8.1400 8.1400 10.4585 10.4585 11.2566 11.2566 11.5369 11.5369 11.5575 11.5575 11.8788 11.8788 k = 0.2582 0.6482-0.0000 ( 3129 PWs) bands (ev): -39.2678 -39.2678 -39.2534 -39.2534 -18.2786 -18.2786 -18.2450 -18.2450 -17.8002 -17.8002 -17.7738 -17.7738 -17.7308 -17.7308 -17.6800 -17.6800 -0.6285 -0.6285 3.7984 3.7984 4.9815 4.9815 7.6807 7.6807 7.9248 7.9248 8.1534 8.1534 10.4599 10.4599 11.2104 11.2104 11.5668 11.5668 11.5828 11.5828 11.8172 11.8172 k = 0.2645 0.6640-0.0000 ( 3127 PWs) bands (ev): -39.2675 -39.2675 -39.2536 -39.2536 -18.2777 -18.2777 -18.2458 -18.2458 -17.7993 -17.7993 -17.7741 -17.7741 -17.7303 -17.7303 -17.6809 -17.6809 -0.6246 -0.6246 3.7567 3.7567 5.0026 5.0026 7.7276 7.7276 7.9261 7.9261 8.1670 8.1670 10.4640 10.4640 11.1640 11.1640 11.5942 11.5942 11.6074 11.6074 11.7512 11.7512 k = 0.2708 0.6798-0.0000 ( 3137 PWs) bands (ev): -39.2672 -39.2672 -39.2539 -39.2539 -18.2767 -18.2767 -18.2466 -18.2466 -17.7984 -17.7984 -17.7744 -17.7744 -17.7299 -17.7299 -17.6819 -17.6819 -0.6232 -0.6232 3.7118 3.7118 5.0302 5.0302 7.7797 7.7797 7.9308 7.9308 8.1808 8.1808 10.4708 10.4708 11.1174 11.1174 11.6154 11.6154 11.6331 11.6331 11.6837 11.6837 k = 0.2771 0.6956-0.0000 ( 3141 PWs) bands (ev): -39.2670 -39.2670 -39.2542 -39.2542 -18.2758 -18.2758 -18.2472 -18.2472 -17.7975 -17.7975 -17.7746 -17.7746 -17.7294 -17.7294 -17.6828 -17.6828 -0.6243 -0.6243 3.6640 3.6640 5.0641 5.0641 7.8331 7.8331 7.9426 7.9426 8.1946 8.1946 10.4804 10.4804 11.0710 11.0710 11.5995 11.5995 11.6444 11.6444 11.6628 11.6628 k = 0.2834 0.7114-0.0000 ( 3143 PWs) bands (ev): -39.2667 -39.2667 -39.2545 -39.2545 -18.2748 -18.2748 -18.2478 -18.2478 -17.7965 -17.7965 -17.7747 -17.7747 -17.7289 -17.7289 -17.6838 -17.6838 -0.6278 -0.6278 3.6139 3.6139 5.1043 5.1043 7.8774 7.8774 7.9711 7.9711 8.2086 8.2086 10.4927 10.4927 11.0247 11.0247 11.5301 11.5301 11.6577 11.6577 11.6895 11.6895 k = 0.2897 0.7272-0.0000 ( 3137 PWs) bands (ev): -39.2665 -39.2665 -39.2548 -39.2548 -18.2738 -18.2738 -18.2483 -18.2483 -17.7956 -17.7956 -17.7747 -17.7747 -17.7284 -17.7284 -17.6848 -17.6848 -0.6335 -0.6335 3.5618 3.5618 5.1507 5.1507 7.9031 7.9031 8.0254 8.0254 8.2228 8.2228 10.5078 10.5078 10.9786 10.9786 11.4564 11.4564 11.6727 11.6727 11.7159 11.7159 k = 0.2897 0.7272-0.0000 ( 3137 PWs) bands (ev): -39.2665 -39.2665 -39.2548 -39.2548 -18.2738 -18.2738 -18.2483 -18.2483 -17.7956 -17.7956 -17.7747 -17.7747 -17.7284 -17.7284 -17.6848 -17.6848 -0.6335 -0.6335 3.5618 3.5618 5.1507 5.1507 7.9031 7.9031 8.0254 8.0254 8.2228 8.2228 10.5078 10.5078 10.9786 10.9786 11.4564 11.4564 11.6727 11.6727 11.7159 11.7159 k = 0.2726 0.7272-0.0000 ( 3133 PWs) bands (ev): -39.2666 -39.2666 -39.2547 -39.2547 -18.2742 -18.2742 -18.2481 -18.2481 -17.7960 -17.7960 -17.7746 -17.7746 -17.7286 -17.7286 -17.6844 -17.6844 -0.6314 -0.6314 3.5813 3.5813 5.1350 5.1350 7.8914 7.8914 7.9918 7.9918 8.2292 8.2292 10.5010 10.5010 10.9939 10.9939 11.4878 11.4878 11.6685 11.6685 11.7078 11.7078 k = 0.2556 0.7272-0.0000 ( 3137 PWs) bands (ev): -39.2667 -39.2667 -39.2546 -39.2546 -18.2747 -18.2747 -18.2478 -18.2478 -17.7965 -17.7965 -17.7745 -17.7745 -17.7289 -17.7289 -17.6839 -17.6839 -0.6298 -0.6298 3.6000 3.6000 5.1247 5.1247 7.8604 7.8604 7.9581 7.9581 8.2499 8.2499 10.4926 10.4926 11.0058 11.0058 11.5264 11.5264 11.6672 11.6672 11.7026 11.7026 k = 0.2385 0.7272-0.0000 ( 3140 PWs) bands (ev): -39.2668 -39.2668 -39.2544 -39.2544 -18.2751 -18.2751 -18.2475 -18.2475 -17.7971 -17.7971 -17.7742 -17.7742 -17.7292 -17.7292 -17.6835 -17.6835 -0.6289 -0.6289 3.6176 3.6176 5.1199 5.1199 7.8036 7.8036 7.9412 7.9412 8.2754 8.2754 10.4829 10.4829 11.0146 11.0146 11.5685 11.5685 11.6713 11.6713 11.7005 11.7005 k = 0.2215 0.7272-0.0000 ( 3134 PWs) bands (ev): -39.2669 -39.2669 -39.2543 -39.2543 -18.2756 -18.2756 -18.2472 -18.2472 -17.7977 -17.7977 -17.7738 -17.7738 -17.7295 -17.7295 -17.6830 -17.6830 -0.6284 -0.6284 3.6338 3.6338 5.1209 5.1209 7.7324 7.7324 7.9343 7.9343 8.3015 8.3015 10.4720 10.4720 11.0209 11.0209 11.6053 11.6053 11.6869 11.6869 11.7025 11.7025 k = 0.2045 0.7272-0.0000 ( 3132 PWs) bands (ev): -39.2671 -39.2671 -39.2541 -39.2541 -18.2761 -18.2761 -18.2468 -18.2468 -17.7984 -17.7984 -17.7734 -17.7734 -17.7299 -17.7299 -17.6825 -17.6825 -0.6283 -0.6283 3.6483 3.6483 5.1273 5.1273 7.6551 7.6551 7.9313 7.9313 8.3264 8.3264 10.4602 10.4602 11.0254 11.0254 11.6261 11.6261 11.7022 11.7022 11.7292 11.7292 k = 0.1874 0.7272-0.0000 ( 3130 PWs) bands (ev): -39.2672 -39.2672 -39.2540 -39.2540 -18.2765 -18.2765 -18.2465 -18.2465 -17.7991 -17.7991 -17.7729 -17.7729 -17.7302 -17.7302 -17.6820 -17.6820 -0.6286 -0.6286 3.6610 3.6610 5.1391 5.1391 7.5758 7.5758 7.9300 7.9300 8.3495 8.3495 10.4477 10.4477 11.0288 11.0288 11.6356 11.6356 11.7088 11.7088 11.7817 11.7817 k = 0.1704 0.7272-0.0000 ( 3130 PWs) bands (ev): -39.2673 -39.2673 -39.2538 -39.2538 -18.2770 -18.2770 -18.2462 -18.2462 -17.7998 -17.7998 -17.7724 -17.7724 -17.7306 -17.7306 -17.6815 -17.6815 -0.6291 -0.6291 3.6717 3.6717 5.1557 5.1557 7.4963 7.4963 7.9295 7.9295 8.3705 8.3705 10.4348 10.4348 11.0314 11.0314 11.6416 11.6416 11.7168 11.7168 11.8399 11.8399 k = 0.1534 0.7272-0.0000 ( 3133 PWs) bands (ev): -39.2675 -39.2675 -39.2537 -39.2537 -18.2774 -18.2774 -18.2458 -18.2458 -17.8005 -17.8005 -17.7719 -17.7719 -17.7310 -17.7310 -17.6811 -17.6811 -0.6298 -0.6298 3.6807 3.6807 5.1764 5.1764 7.4181 7.4181 7.9296 7.9296 8.3891 8.3891 10.4219 10.4219 11.0334 11.0334 11.6469 11.6469 11.7263 11.7263 11.8981 11.8981 k = 0.1363 0.7272-0.0000 ( 3136 PWs) bands (ev): -39.2676 -39.2676 -39.2535 -39.2535 -18.2778 -18.2778 -18.2456 -18.2456 -17.8011 -17.8011 -17.7714 -17.7714 -17.7314 -17.7314 -17.6807 -17.6807 -0.6307 -0.6307 3.6878 3.6878 5.2004 5.2004 7.3425 7.3425 7.9300 7.9300 8.4054 8.4054 10.4094 10.4094 11.0352 11.0352 11.6525 11.6525 11.7368 11.7368 11.9532 11.9532 k = 0.1193 0.7272-0.0000 ( 3142 PWs) bands (ev): -39.2677 -39.2677 -39.2534 -39.2534 -18.2782 -18.2782 -18.2453 -18.2453 -17.8017 -17.8017 -17.7709 -17.7709 -17.7317 -17.7317 -17.6803 -17.6803 -0.6315 -0.6315 3.6934 3.6934 5.2267 5.2267 7.2708 7.2708 7.9305 7.9305 8.4195 8.4195 10.3974 10.3974 11.0366 11.0366 11.6584 11.6584 11.7479 11.7479 12.0031 12.0031 k = 0.1022 0.7272-0.0000 ( 3145 PWs) bands (ev): -39.2678 -39.2678 -39.2533 -39.2533 -18.2785 -18.2785 -18.2451 -18.2451 -17.8022 -17.8022 -17.7705 -17.7705 -17.7320 -17.7320 -17.6799 -17.6799 -0.6324 -0.6324 3.6976 3.6976 5.2540 5.2540 7.2043 7.2043 7.9312 7.9312 8.4314 8.4314 10.3865 10.3865 11.0378 11.0378 11.6645 11.6645 11.7589 11.7589 12.0462 12.0462 k = 0.0852 0.7272-0.0000 ( 3143 PWs) bands (ev): -39.2679 -39.2679 -39.2532 -39.2532 -18.2788 -18.2788 -18.2448 -18.2448 -17.8027 -17.8027 -17.7701 -17.7701 -17.7323 -17.7323 -17.6796 -17.6796 -0.6333 -0.6333 3.7007 3.7007 5.2809 5.2809 7.1444 7.1444 7.9318 7.9318 8.4413 8.4413 10.3767 10.3767 11.0387 11.0387 11.6706 11.6706 11.7695 11.7695 12.0817 12.0817 k = 0.0682 0.7272-0.0000 ( 3139 PWs) bands (ev): -39.2680 -39.2680 -39.2531 -39.2531 -18.2790 -18.2790 -18.2446 -18.2446 -17.8030 -17.8030 -17.7698 -17.7698 -17.7326 -17.7326 -17.6794 -17.6794 -0.6340 -0.6340 3.7029 3.7029 5.3058 5.3058 7.0926 7.0926 7.9325 7.9325 8.4492 8.4492 10.3684 10.3684 11.0395 11.0395 11.6763 11.6763 11.7789 11.7789 12.1096 12.1096 k = 0.0511 0.7272-0.0000 ( 3143 PWs) bands (ev): -39.2680 -39.2680 -39.2531 -39.2531 -18.2791 -18.2791 -18.2445 -18.2445 -17.8033 -17.8033 -17.7695 -17.7695 -17.7328 -17.7328 -17.6792 -17.6792 -0.6346 -0.6346 3.7043 3.7043 5.3274 5.3274 7.0502 7.0502 7.9330 7.9330 8.4553 8.4553 10.3618 10.3618 11.0401 11.0401 11.6812 11.6812 11.7868 11.7868 12.1304 12.1304 k = 0.0341 0.7272-0.0000 ( 3144 PWs) bands (ev): -39.2681 -39.2681 -39.2530 -39.2530 -18.2793 -18.2793 -18.2444 -18.2444 -17.8036 -17.8036 -17.7693 -17.7693 -17.7329 -17.7329 -17.6790 -17.6790 -0.6351 -0.6351 3.7053 3.7053 5.3440 5.3440 7.0187 7.0187 7.9335 7.9335 8.4595 8.4595 10.3569 10.3569 11.0404 11.0404 11.6850 11.6850 11.7928 11.7928 12.1447 12.1447 k = 0.0170 0.7272-0.0000 ( 3148 PWs) bands (ev): -39.2681 -39.2681 -39.2530 -39.2530 -18.2794 -18.2794 -18.2444 -18.2444 -17.8037 -17.8037 -17.7692 -17.7692 -17.7330 -17.7330 -17.6789 -17.6789 -0.6354 -0.6354 3.7057 3.7057 5.3545 5.3545 6.9993 6.9993 7.9337 7.9337 8.4620 8.4620 10.3539 10.3539 11.0406 11.0406 11.6873 11.6873 11.7965 11.7965 12.1530 12.1530 k = 0.0000 0.7272-0.0000 ( 3150 PWs) bands (ev): -39.2681 -39.2681 -39.2530 -39.2530 -18.2794 -18.2794 -18.2443 -18.2443 -17.8038 -17.8038 -17.7692 -17.7692 -17.7330 -17.7330 -17.6789 -17.6789 -0.6355 -0.6355 3.7059 3.7059 5.3581 5.3581 6.9927 6.9927 7.9338 7.9338 8.4628 8.4628 10.3529 10.3529 11.0407 11.0407 11.6882 11.6882 11.7977 11.7977 12.1557 12.1557 k = 0.0000 0.7272-0.0000 ( 3150 PWs) bands (ev): -39.2681 -39.2681 -39.2530 -39.2530 -18.2794 -18.2794 -18.2443 -18.2443 -17.8038 -17.8038 -17.7692 -17.7692 -17.7330 -17.7330 -17.6789 -17.6789 -0.6355 -0.6355 3.7059 3.7059 5.3581 5.3581 6.9927 6.9927 7.9338 7.9338 8.4628 8.4628 10.3529 10.3529 11.0407 11.0407 11.6882 11.6882 11.7977 11.7977 12.1557 12.1557 k = 0.0000 0.7272 0.0171 ( 3148 PWs) bands (ev): -39.2681 -39.2681 -39.2530 -39.2530 -18.2794 -18.2794 -18.2444 -18.2444 -17.8038 -17.8038 -17.7692 -17.7692 -17.7331 -17.7331 -17.6789 -17.6789 -0.6343 -0.6343 3.7055 3.7055 5.3589 5.3589 6.9940 6.9940 7.9281 7.9281 8.4618 8.4618 10.3509 10.3509 11.0392 11.0392 11.6921 11.6921 11.7980 11.7980 12.1563 12.1563 k = 0.0000 0.7272 0.0343 ( 3144 PWs) bands (ev): -39.2681 -39.2681 -39.2530 -39.2530 -18.2794 -18.2794 -18.2444 -18.2444 -17.8038 -17.8038 -17.7691 -17.7691 -17.7332 -17.7332 -17.6791 -17.6791 -0.6306 -0.6306 3.7041 3.7041 5.3613 5.3613 6.9977 6.9977 7.9112 7.9112 8.4588 8.4588 10.3447 10.3447 11.0346 11.0346 11.7039 11.7039 11.7989 11.7989 12.1582 12.1582 k = 0.0000 0.7272 0.0514 ( 3148 PWs) bands (ev): -39.2680 -39.2680 -39.2530 -39.2530 -18.2794 -18.2794 -18.2445 -18.2445 -17.8039 -17.8039 -17.7691 -17.7691 -17.7333 -17.7333 -17.6793 -17.6793 -0.6245 -0.6245 3.7017 3.7017 5.3654 5.3654 7.0040 7.0040 7.8836 7.8836 8.4536 8.4536 10.3344 10.3344 11.0269 11.0269 11.7231 11.7231 11.8004 11.8004 12.1613 12.1613 k = 0.0000 0.7272 0.0685 ( 3148 PWs) bands (ev): -39.2679 -39.2679 -39.2530 -39.2530 -18.2794 -18.2794 -18.2447 -18.2447 -17.8040 -17.8040 -17.7691 -17.7691 -17.7336 -17.7336 -17.6797 -17.6797 -0.6161 -0.6161 3.6982 3.6982 5.3710 5.3710 7.0127 7.0127 7.8462 7.8462 8.4465 8.4465 10.3202 10.3202 11.0160 11.0160 11.7489 11.7489 11.8027 11.8027 12.1656 12.1656 k = 0.0000 0.7272 0.0857 ( 3142 PWs) bands (ev): -39.2679 -39.2679 -39.2530 -39.2530 -18.2794 -18.2794 -18.2449 -18.2449 -17.8041 -17.8041 -17.7691 -17.7691 -17.7339 -17.7339 -17.6801 -17.6801 -0.6051 -0.6051 3.6935 3.6935 5.3783 5.3783 7.0237 7.0237 7.8000 7.8000 8.4374 8.4374 10.3021 10.3021 11.0019 11.0019 11.7802 11.7802 11.8062 11.8062 12.1712 12.1712 k = 0.0000 0.7272 0.1028 ( 3142 PWs) bands (ev): -39.2677 -39.2677 -39.2530 -39.2530 -18.2794 -18.2794 -18.2451 -18.2451 -17.8043 -17.8043 -17.7691 -17.7691 -17.7343 -17.7343 -17.6806 -17.6806 -0.5918 -0.5918 3.6874 3.6874 5.3872 5.3872 7.0371 7.0371 7.7465 7.7465 8.4262 8.4262 10.2803 10.2803 10.9847 10.9847 11.8071 11.8071 11.8201 11.8201 12.1782 12.1782 k = 0.0000 0.7272 0.1199 ( 3146 PWs) bands (ev): -39.2676 -39.2676 -39.2530 -39.2530 -18.2794 -18.2794 -18.2454 -18.2454 -17.8045 -17.8045 -17.7690 -17.7690 -17.7347 -17.7347 -17.6813 -17.6813 -0.5760 -0.5760 3.6796 3.6796 5.3978 5.3978 7.0527 7.0527 7.6868 7.6868 8.4131 8.4131 10.2549 10.2549 10.9645 10.9645 11.8140 11.8140 11.8587 11.8587 12.1865 12.1865 k = 0.0000 0.7272 0.1371 ( 3142 PWs) bands (ev): -39.2675 -39.2675 -39.2530 -39.2530 -18.2794 -18.2794 -18.2457 -18.2457 -17.8047 -17.8047 -17.7690 -17.7690 -17.7352 -17.7352 -17.6819 -17.6819 -0.5578 -0.5578 3.6700 3.6700 5.4100 5.4100 7.0704 7.0704 7.6227 7.6227 8.3980 8.3980 10.2262 10.2262 10.9413 10.9413 11.8207 11.8207 11.9013 11.9013 12.1963 12.1963 k = 0.0000 0.7272 0.1542 ( 3142 PWs) bands (ev): -39.2673 -39.2673 -39.2530 -39.2530 -18.2794 -18.2794 -18.2461 -18.2461 -17.8049 -17.8049 -17.7690 -17.7690 -17.7358 -17.7358 -17.6827 -17.6827 -0.5373 -0.5373 3.6582 3.6582 5.4239 5.4239 7.0900 7.0900 7.5555 7.5555 8.3809 8.3809 10.1945 10.1945 10.9156 10.9156 11.8288 11.8288 11.9452 11.9452 12.2077 12.2077 k = 0.0000 0.7272 0.1713 ( 3140 PWs) bands (ev): -39.2671 -39.2671 -39.2530 -39.2530 -18.2793 -18.2793 -18.2465 -18.2465 -17.8051 -17.8051 -17.7690 -17.7690 -17.7363 -17.7363 -17.6836 -17.6836 -0.5143 -0.5143 3.6439 3.6439 5.4395 5.4395 7.1114 7.1114 7.4866 7.4866 8.3618 8.3618 10.1599 10.1599 10.8875 10.8875 11.8384 11.8384 11.9893 11.9893 12.2211 12.2211 k = 0.0000 0.7272 0.1885 ( 3136 PWs) bands (ev): -39.2669 -39.2669 -39.2531 -39.2531 -18.2793 -18.2793 -18.2470 -18.2470 -17.8054 -17.8054 -17.7691 -17.7691 -17.7369 -17.7369 -17.6845 -17.6845 -0.4888 -0.4888 3.6269 3.6269 5.4569 5.4569 7.1341 7.1341 7.4177 7.4177 8.3409 8.3409 10.1228 10.1228 10.8572 10.8572 11.8498 11.8498 12.0323 12.0323 12.2366 12.2366 k = 0.0000 0.7272 0.2056 ( 3138 PWs) bands (ev): -39.2667 -39.2667 -39.2531 -39.2531 -18.2793 -18.2793 -18.2475 -18.2475 -17.8056 -17.8056 -17.7691 -17.7691 -17.7375 -17.7375 -17.6856 -17.6856 -0.4610 -0.4610 3.6067 3.6067 5.4759 5.4759 7.1572 7.1572 7.3505 7.3505 8.3180 8.3180 10.0834 10.0834 10.8250 10.8250 11.8630 11.8630 12.0731 12.0731 12.2549 12.2549 k = 0.0000 0.7272 0.2227 ( 3136 PWs) bands (ev): -39.2665 -39.2665 -39.2531 -39.2531 -18.2793 -18.2793 -18.2480 -18.2480 -17.8059 -17.8059 -17.7692 -17.7692 -17.7381 -17.7381 -17.6866 -17.6866 -0.4309 -0.4309 3.5830 3.5830 5.4967 5.4967 7.1779 7.1779 7.2889 7.2889 8.2933 8.2933 10.0421 10.0421 10.7912 10.7912 11.8782 11.8782 12.1107 12.1107 12.2764 12.2764 k = 0.0000 0.7272 0.2399 ( 3134 PWs) bands (ev): -39.2662 -39.2662 -39.2531 -39.2531 -18.2792 -18.2792 -18.2486 -18.2486 -17.8061 -17.8061 -17.7694 -17.7694 -17.7387 -17.7387 -17.6877 -17.6877 -0.3983 -0.3983 3.5555 3.5555 5.5193 5.5193 7.1793 7.1793 7.2506 7.2506 8.2668 8.2668 9.9991 9.9991 10.7559 10.7559 11.8954 11.8954 12.1444 12.1444 12.3016 12.3016 k = 0.0000 0.7272 0.2570 ( 3142 PWs) bands (ev): -39.2660 -39.2660 -39.2532 -39.2532 -18.2792 -18.2792 -18.2493 -18.2493 -17.8064 -17.8064 -17.7696 -17.7696 -17.7393 -17.7393 -17.6889 -17.6889 -0.3633 -0.3633 3.5239 3.5239 5.5436 5.5436 7.1386 7.1386 7.2589 7.2589 8.2387 8.2387 9.9549 9.9549 10.7194 10.7194 11.9147 11.9147 12.1737 12.1737 12.3305 12.3305 k = 0.0000 0.7272 0.2741 ( 3138 PWs) bands (ev): -39.2657 -39.2657 -39.2532 -39.2532 -18.2792 -18.2792 -18.2499 -18.2499 -17.8067 -17.8067 -17.7699 -17.7699 -17.7398 -17.7398 -17.6902 -17.6902 -0.3260 -0.3260 3.4880 3.4880 5.5698 5.5698 7.0869 7.0869 7.2831 7.2831 8.2091 8.2091 9.9097 9.9097 10.6818 10.6818 11.9361 11.9361 12.1992 12.1992 12.3624 12.3624 k = 0.0000 0.7272 0.2913 ( 3140 PWs) bands (ev): -39.2654 -39.2654 -39.2532 -39.2532 -18.2792 -18.2792 -18.2506 -18.2506 -17.8069 -17.8069 -17.7702 -17.7702 -17.7403 -17.7403 -17.6914 -17.6914 -0.2863 -0.2863 3.4475 3.4475 5.5976 5.5976 7.0374 7.0374 7.3104 7.3104 8.1782 8.1782 9.8639 9.8639 10.6432 10.6432 11.9597 11.9597 12.2216 12.2216 12.3965 12.3965 k = 0.0000 0.7272 0.3084 ( 3134 PWs) bands (ev): -39.2651 -39.2651 -39.2533 -39.2533 -18.2791 -18.2791 -18.2513 -18.2513 -17.8071 -17.8071 -17.7707 -17.7707 -17.7407 -17.7407 -17.6927 -17.6927 -0.2443 -0.2443 3.4023 3.4023 5.6273 5.6273 6.9926 6.9926 7.3382 7.3382 8.1464 8.1464 9.8178 9.8178 10.6038 10.6038 11.9854 11.9854 12.2418 12.2418 12.4320 12.4320 k = 0.0000 0.7272 0.3255 ( 3136 PWs) bands (ev): -39.2648 -39.2648 -39.2533 -39.2533 -18.2791 -18.2791 -18.2521 -18.2521 -17.8073 -17.8073 -17.7712 -17.7712 -17.7410 -17.7410 -17.6941 -17.6941 -0.1999 -0.1999 3.3523 3.3523 5.6586 5.6586 6.9535 6.9535 7.3653 7.3653 8.1140 8.1140 9.7717 9.7717 10.5637 10.5637 12.0132 12.0132 12.2604 12.2604 12.4679 12.4679 k = 0.0000 0.7272 0.3427 ( 3136 PWs) bands (ev): -39.2645 -39.2645 -39.2534 -39.2534 -18.2790 -18.2790 -18.2529 -18.2529 -17.8075 -17.8075 -17.7718 -17.7718 -17.7413 -17.7413 -17.6955 -17.6955 -0.1532 -0.1532 3.2974 3.2974 5.6917 5.6917 6.9207 6.9207 7.3908 7.3908 8.0815 8.0815 9.7260 9.7260 10.5230 10.5230 12.0429 12.0429 12.2780 12.2780 12.5040 12.5040 k = 0.0000 0.7272 0.3598 ( 3132 PWs) bands (ev): -39.2642 -39.2642 -39.2535 -39.2535 -18.2790 -18.2790 -18.2537 -18.2537 -17.8076 -17.8076 -17.7725 -17.7725 -17.7415 -17.7415 -17.6969 -17.6969 -0.1041 -0.1041 3.2379 3.2379 5.7263 5.7263 6.8943 6.8943 7.4136 7.4136 8.0496 8.0496 9.6812 9.6812 10.4818 10.4818 12.0746 12.0746 12.2949 12.2949 12.5399 12.5399 k = 0.0000 0.7272 0.3769 ( 3132 PWs) bands (ev): -39.2638 -39.2638 -39.2535 -39.2535 -18.2789 -18.2789 -18.2545 -18.2545 -17.8077 -17.8077 -17.7734 -17.7734 -17.7415 -17.7415 -17.6983 -17.6983 -0.0528 -0.0528 3.1737 3.1737 5.7626 5.7626 6.8746 6.8746 7.4325 7.4325 8.0190 8.0190 9.6374 9.6374 10.4402 10.4402 12.1080 12.1080 12.3113 12.3113 12.5754 12.5754 k = 0.0000 0.7272 0.3941 ( 3130 PWs) bands (ev): -39.2635 -39.2635 -39.2536 -39.2536 -18.2788 -18.2788 -18.2554 -18.2554 -17.8077 -17.8077 -17.7743 -17.7743 -17.7415 -17.7415 -17.6998 -17.6998 0.0008 0.0008 3.1052 3.1052 5.8004 5.8004 6.8614 6.8614 7.4464 7.4464 7.9908 7.9908 9.5953 9.5953 10.3982 10.3982 12.1429 12.1429 12.3274 12.3274 12.6104 12.6104 k = 0.0000 0.7272 0.4112 ( 3136 PWs) bands (ev): -39.2631 -39.2631 -39.2537 -39.2537 -18.2787 -18.2787 -18.2563 -18.2563 -17.8078 -17.8078 -17.7753 -17.7753 -17.7414 -17.7414 -17.7013 -17.7013 0.0566 0.0566 3.0326 3.0326 5.8396 5.8396 6.8548 6.8548 7.4538 7.4538 7.9658 7.9658 9.5551 9.5551 10.3558 10.3558 12.1792 12.1792 12.3432 12.3432 12.6449 12.6449 k = 0.0000 0.7272 0.4283 ( 3134 PWs) bands (ev): -39.2628 -39.2628 -39.2538 -39.2538 -18.2785 -18.2785 -18.2572 -18.2572 -17.8077 -17.8077 -17.7763 -17.7763 -17.7411 -17.7411 -17.7027 -17.7027 0.1147 0.1147 2.9562 2.9562 5.8802 5.8802 6.8546 6.8546 7.4536 7.4536 7.9447 7.9447 9.5176 9.5176 10.3131 10.3131 12.2166 12.2166 12.3589 12.3589 12.6790 12.6790 k = 0.0000 0.7272 0.4455 ( 3138 PWs) bands (ev): -39.2624 -39.2624 -39.2539 -39.2539 -18.2784 -18.2784 -18.2581 -18.2581 -17.8077 -17.8077 -17.7775 -17.7775 -17.7408 -17.7408 -17.7042 -17.7042 0.1751 0.1751 2.8763 2.8763 5.9221 5.9221 6.8605 6.8605 7.4449 7.4449 7.9278 7.9278 9.4830 9.4830 10.2702 10.2702 12.2546 12.2546 12.3743 12.3743 12.7124 12.7124 k = 0.0000 0.7272 0.4626 ( 3144 PWs) bands (ev): -39.2621 -39.2621 -39.2540 -39.2540 -18.2783 -18.2783 -18.2591 -18.2591 -17.8075 -17.8075 -17.7787 -17.7787 -17.7404 -17.7404 -17.7057 -17.7057 0.2376 0.2376 2.7934 2.7934 5.9652 5.9652 6.8722 6.8722 7.4277 7.4277 7.9148 7.9148 9.4520 9.4520 10.2271 10.2271 12.2929 12.2929 12.3896 12.3896 12.7454 12.7454 k = 0.0000 0.7272 0.4797 ( 3144 PWs) bands (ev): -39.2617 -39.2617 -39.2541 -39.2541 -18.2781 -18.2781 -18.2600 -18.2600 -17.8073 -17.8073 -17.7800 -17.7800 -17.7399 -17.7399 -17.7072 -17.7072 0.3022 0.3022 2.7078 2.7078 6.0094 6.0094 6.8895 6.8895 7.4025 7.4025 7.9046 7.9046 9.4253 9.4253 10.1838 10.1838 12.3310 12.3310 12.4048 12.4048 12.7777 12.7777 k = 0.0000 0.7272 0.4969 ( 3148 PWs) bands (ev): -39.2614 -39.2614 -39.2543 -39.2543 -18.2778 -18.2778 -18.2610 -18.2610 -17.8071 -17.8071 -17.7813 -17.7813 -17.7394 -17.7394 -17.7087 -17.7087 0.3690 0.3690 2.6199 2.6199 6.0546 6.0546 6.9120 6.9120 7.3705 7.3705 7.8957 7.8957 9.4031 9.4031 10.1403 10.1403 12.3683 12.3683 12.4198 12.4198 12.8094 12.8094 k = 0.0000 0.7272 0.5140 ( 3150 PWs) bands (ev): -39.2610 -39.2610 -39.2544 -39.2544 -18.2776 -18.2776 -18.2619 -18.2619 -17.8068 -17.8068 -17.7826 -17.7826 -17.7387 -17.7387 -17.7102 -17.7102 0.4379 0.4379 2.5300 2.5300 6.1008 6.1008 6.9393 6.9393 7.3329 7.3329 7.8862 7.8862 9.3861 9.3861 10.0966 10.0966 12.4038 12.4038 12.4348 12.4348 12.8404 12.8410 k = 0.0000 0.7272 0.5311 ( 3146 PWs) bands (ev): -39.2606 -39.2606 -39.2546 -39.2546 -18.2773 -18.2773 -18.2629 -18.2629 -17.8064 -17.8064 -17.7840 -17.7840 -17.7380 -17.7380 -17.7117 -17.7117 0.5089 0.5089 2.4385 2.4385 6.1479 6.1479 6.9709 6.9709 7.2909 7.2909 7.8748 7.8748 9.3747 9.3747 10.0529 10.0529 12.4363 12.4363 12.4505 12.4505 12.8702 12.8704 k = 0.0000 0.7272 0.5483 ( 3146 PWs) bands (ev): -39.2603 -39.2603 -39.2548 -39.2548 -18.2770 -18.2770 -18.2638 -18.2638 -17.8059 -17.8059 -17.7853 -17.7853 -17.7372 -17.7372 -17.7131 -17.7131 0.5819 0.5819 2.3459 2.3459 6.1959 6.1959 7.0063 7.0063 7.2457 7.2457 7.8603 7.8603 9.3691 9.3691 10.0091 10.0091 12.4598 12.4598 12.4720 12.4720 12.8967 12.8972 k = 0.0000 0.7272 0.5654 ( 3144 PWs) bands (ev): -39.2599 -39.2599 -39.2549 -39.2549 -18.2767 -18.2767 -18.2647 -18.2647 -17.8054 -17.8054 -17.7867 -17.7867 -17.7364 -17.7364 -17.7146 -17.7146 0.6569 0.6569 2.2522 2.2522 6.2446 6.2446 7.0447 7.0447 7.1985 7.1985 7.8419 7.8419 9.3693 9.3693 9.9652 9.9652 12.4751 12.4751 12.4977 12.4977 12.9163 12.9174 k = 0.0000 0.7272 0.5825 ( 3146 PWs) bands (ev): -39.2596 -39.2596 -39.2551 -39.2551 -18.2763 -18.2763 -18.2656 -18.2656 -17.8049 -17.8049 -17.7880 -17.7880 -17.7355 -17.7355 -17.7160 -17.7160 0.7338 0.7338 2.1580 2.1580 6.2941 6.2941 7.0827 7.0827 7.1527 7.1527 7.8189 7.8189 9.3754 9.3754 9.9214 9.9214 12.4888 12.4888 12.5204 12.5204 12.9354 12.9358 k = 0.0000 0.7272 0.5997 ( 3144 PWs) bands (ev): -39.2593 -39.2593 -39.2553 -39.2553 -18.2759 -18.2759 -18.2665 -18.2665 -17.8042 -17.8042 -17.7894 -17.7894 -17.7346 -17.7346 -17.7175 -17.7175 0.8125 0.8125 2.0634 2.0634 6.3443 6.3443 7.0832 7.0832 7.1457 7.1457 7.7913 7.7913 9.3870 9.3870 9.8776 9.8776 12.5018 12.5018 12.5391 12.5391 12.9563 12.9587 k = 0.0000 0.7272 0.6168 ( 3150 PWs) bands (ev): -39.2589 -39.2589 -39.2556 -39.2556 -18.2755 -18.2755 -18.2674 -18.2674 -17.8035 -17.8035 -17.7907 -17.7907 -17.7336 -17.7336 -17.7189 -17.7189 0.8931 0.8931 1.9687 1.9687 6.3952 6.3952 7.0362 7.0362 7.1875 7.1875 7.7592 7.7592 9.4038 9.4038 9.8340 9.8340 12.5141 12.5141 12.5534 12.5534 12.9779 12.9797 k = 0.0000 0.7272 0.6339 ( 3154 PWs) bands (ev): -39.2586 -39.2586 -39.2558 -39.2558 -18.2750 -18.2750 -18.2683 -18.2683 -17.8028 -17.8028 -17.7921 -17.7921 -17.7326 -17.7326 -17.7203 -17.7203 0.9754 0.9754 1.8741 1.8741 6.4468 6.4468 6.9838 6.9838 7.2357 7.2357 7.7228 7.7228 9.4253 9.4253 9.7908 9.7908 12.5257 12.5257 12.5637 12.5637 12.9995 12.9996 k = 0.0000 0.7272 0.6511 ( 3148 PWs) bands (ev): -39.2583 -39.2583 -39.2560 -39.2560 -18.2745 -18.2745 -18.2691 -18.2691 -17.8020 -17.8020 -17.7933 -17.7933 -17.7314 -17.7314 -17.7216 -17.7216 1.0594 1.0594 1.7799 1.7799 6.4990 6.4990 6.9301 6.9301 7.2862 7.2862 7.6826 7.6826 9.4510 9.4510 9.7480 9.7480 12.5364 12.5364 12.5703 12.5703 13.0203 13.0204 k = 0.0000 0.7272 0.6682 ( 3150 PWs) bands (ev): -39.2580 -39.2580 -39.2563 -39.2563 -18.2739 -18.2739 -18.2699 -18.2699 -17.8011 -17.8011 -17.7946 -17.7946 -17.7303 -17.7303 -17.7229 -17.7229 1.1450 1.1450 1.6863 1.6863 6.5517 6.5517 6.8759 6.8759 7.3378 7.3378 7.6390 7.6390 9.4804 9.4804 9.7058 9.7058 12.5462 12.5462 12.5736 12.5736 13.0379 13.0388 k = 0.0000 0.7272 0.6853 ( 3150 PWs) bands (ev): -39.2576 -39.2576 -39.2565 -39.2565 -18.2734 -18.2734 -18.2706 -18.2706 -17.8001 -17.8001 -17.7958 -17.7958 -17.7292 -17.7292 -17.7242 -17.7242 1.2321 1.2321 1.5934 1.5934 6.6049 6.6049 6.8214 6.8214 7.3899 7.3899 7.5925 7.5925 9.5128 9.5128 9.6643 9.6643 12.5549 12.5549 12.5741 12.5741 13.0531 13.0566 k = 0.0000 0.7272 0.7025 ( 3148 PWs) bands (ev): -39.2574 -39.2574 -39.2568 -39.2568 -18.2727 -18.2727 -18.2714 -18.2714 -17.7991 -17.7991 -17.7969 -17.7969 -17.7280 -17.7280 -17.7255 -17.7255 1.3206 1.3206 1.5014 1.5014 6.6586 6.6586 6.7670 6.7670 7.4420 7.4420 7.5438 7.5438 9.5479 9.5479 9.6240 9.6240 12.5622 12.5622 12.5721 12.5721 13.0635 13.0650 k = 0.0000 0.7272 0.7196 ( 3148 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2721 -18.2721 -18.2721 -18.2721 -17.7980 -17.7980 -17.7980 -17.7980 -17.7268 -17.7268 -17.7268 -17.7268 1.4104 1.4104 1.4104 1.4104 6.7126 6.7126 6.7126 6.7126 7.4935 7.4935 7.4935 7.4935 9.5851 9.5851 9.5851 9.5851 12.5680 12.5680 12.5680 12.5680 13.0681 13.0681 k = 0.0000 0.7272 0.7196 ( 3148 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2721 -18.2721 -18.2721 -18.2721 -17.7980 -17.7980 -17.7980 -17.7980 -17.7268 -17.7268 -17.7268 -17.7268 1.4104 1.4104 1.4104 1.4104 6.7126 6.7126 6.7126 6.7126 7.4935 7.4935 7.4935 7.4935 9.5851 9.5851 9.5851 9.5851 12.5680 12.5680 12.5680 12.5680 13.0681 13.0681 k = 0.0170 0.7272 0.7196 ( 3144 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2722 -18.2722 -18.2719 -18.2719 -17.7995 -17.7995 -17.7965 -17.7965 -17.7281 -17.7281 -17.7254 -17.7254 1.4104 1.4104 1.4108 1.4108 6.7105 6.7105 6.7139 6.7139 7.4912 7.4912 7.4932 7.4932 9.5872 9.5872 9.5880 9.5880 12.5656 12.5656 12.5661 12.5661 13.0684 13.0686 k = 0.0341 0.7272 0.7196 ( 3136 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2723 -18.2723 -18.2718 -18.2718 -17.8010 -17.8010 -17.7950 -17.7950 -17.7295 -17.7295 -17.7240 -17.7240 1.4108 1.4108 1.4114 1.4114 6.7073 6.7073 6.7140 6.7140 7.4865 7.4865 7.4904 7.4904 9.5945 9.5945 9.5960 9.5960 12.5587 12.5587 12.5597 12.5597 13.0683 13.0691 k = 0.0511 0.7272 0.7196 ( 3140 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2725 -18.2725 -18.2717 -18.2717 -17.8024 -17.8024 -17.7935 -17.7935 -17.7308 -17.7308 -17.7227 -17.7227 1.4114 1.4114 1.4124 1.4124 6.7031 6.7031 6.7132 6.7132 7.4795 7.4795 7.4853 7.4853 9.6064 9.6064 9.6087 9.6087 12.5473 12.5473 12.5490 12.5490 13.0686 13.0701 k = 0.0682 0.7272 0.7196 ( 3142 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2726 -18.2726 -18.2716 -18.2716 -17.8038 -17.8038 -17.7920 -17.7920 -17.7321 -17.7321 -17.7214 -17.7214 1.4123 1.4123 1.4136 1.4136 6.6978 6.6978 6.7111 6.7111 7.4706 7.4706 7.4783 7.4783 9.6227 9.6227 9.6257 9.6257 12.5316 12.5316 12.5340 12.5340 13.0693 13.0709 k = 0.0852 0.7272 0.7196 ( 3146 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2728 -18.2728 -18.2715 -18.2715 -17.8052 -17.8052 -17.7906 -17.7906 -17.7333 -17.7333 -17.7201 -17.7201 1.4135 1.4135 1.4151 1.4151 6.6914 6.6914 6.7079 6.7079 7.4603 7.4603 7.4699 7.4699 9.6430 9.6430 9.6466 9.6466 12.5117 12.5117 12.5149 12.5149 13.0702 13.0705 k = 0.1022 0.7272 0.7196 ( 3148 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2730 -18.2730 -18.2714 -18.2714 -17.8064 -17.8064 -17.7893 -17.7893 -17.7345 -17.7345 -17.7188 -17.7188 1.4149 1.4149 1.4169 1.4169 6.6838 6.6838 6.7033 6.7033 7.4492 7.4492 7.4606 7.4606 9.6665 9.6665 9.6706 9.6706 12.4878 12.4878 12.4920 12.4920 13.0714 13.0739 k = 0.1193 0.7272 0.7196 ( 3146 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2731 -18.2731 -18.2713 -18.2713 -17.8076 -17.8076 -17.7880 -17.7880 -17.7356 -17.7356 -17.7176 -17.7176 1.4166 1.4166 1.4188 1.4188 6.6750 6.6750 6.6974 6.6974 7.4378 7.4378 7.4511 7.4511 9.6926 9.6926 9.6972 9.6972 12.4602 12.4602 12.4655 12.4655 13.0727 13.0730 k = 0.1363 0.7272 0.7196 ( 3150 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2733 -18.2733 -18.2713 -18.2713 -17.8088 -17.8088 -17.7868 -17.7868 -17.7366 -17.7366 -17.7165 -17.7165 1.4184 1.4184 1.4209 1.4209 6.6648 6.6648 6.6899 6.6899 7.4268 7.4268 7.4417 7.4417 9.7206 9.7206 9.7256 9.7256 12.4295 12.4295 12.4360 12.4360 13.0741 13.0750 k = 0.1534 0.7272 0.7196 ( 3152 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2734 -18.2734 -18.2712 -18.2712 -17.8098 -17.8098 -17.7857 -17.7857 -17.7375 -17.7375 -17.7154 -17.7154 1.4203 1.4203 1.4230 1.4230 6.6534 6.6534 6.6808 6.6808 7.4168 7.4168 7.4332 7.4332 9.7498 9.7498 9.7550 9.7550 12.3962 12.3962 12.4038 12.4038 13.0757 13.0759 k = 0.1704 0.7272 0.7196 ( 3152 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2735 -18.2735 -18.2712 -18.2712 -17.8108 -17.8108 -17.7848 -17.7848 -17.7382 -17.7382 -17.7144 -17.7144 1.4223 1.4223 1.4252 1.4252 6.6408 6.6408 6.6702 6.6702 7.4083 7.4083 7.4259 7.4259 9.7792 9.7792 9.7847 9.7847 12.3609 12.3609 12.3698 12.3698 13.0771 13.0772 k = 0.1874 0.7272 0.7196 ( 3160 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2737 -18.2737 -18.2712 -18.2712 -17.8116 -17.8116 -17.7840 -17.7840 -17.7388 -17.7388 -17.7135 -17.7135 1.4242 1.4242 1.4274 1.4274 6.6271 6.6271 6.6582 6.6582 7.4016 7.4016 7.4202 7.4202 9.8083 9.8083 9.8139 9.8139 12.3244 12.3244 12.3345 12.3345 13.0789 13.0792 k = 0.2045 0.7272 0.7196 ( 3156 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2738 -18.2738 -18.2712 -18.2712 -17.8124 -17.8124 -17.7833 -17.7833 -17.7392 -17.7392 -17.7127 -17.7127 1.4262 1.4262 1.4295 1.4295 6.6125 6.6125 6.6449 6.6449 7.3971 7.3971 7.4165 7.4165 9.8362 9.8362 9.8419 9.8419 12.2875 12.2875 12.2987 12.2987 13.0803 13.0814 k = 0.2215 0.7272 0.7196 ( 3148 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2738 -18.2738 -18.2712 -18.2712 -17.8130 -17.8130 -17.7828 -17.7828 -17.7395 -17.7395 -17.7119 -17.7119 1.4280 1.4280 1.4315 1.4315 6.5972 6.5972 6.6305 6.6305 7.3950 7.3950 7.4149 7.4149 9.8622 9.8622 9.8680 9.8680 12.2509 12.2509 12.2632 12.2632 13.0819 13.0852 k = 0.2385 0.7272 0.7196 ( 3144 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2739 -18.2739 -18.2712 -18.2712 -17.8135 -17.8135 -17.7825 -17.7825 -17.7396 -17.7396 -17.7112 -17.7112 1.4296 1.4296 1.4332 1.4332 6.5814 6.5814 6.6153 6.6153 7.3954 7.3954 7.4154 7.4154 9.8858 9.8858 9.8915 9.8915 12.2155 12.2155 12.2288 12.2288 13.0835 13.0867 k = 0.2556 0.7272 0.7196 ( 3144 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2739 -18.2739 -18.2712 -18.2712 -17.8140 -17.8140 -17.7824 -17.7824 -17.7396 -17.7396 -17.7106 -17.7106 1.4309 1.4309 1.4347 1.4347 6.5656 6.5656 6.5996 6.5996 7.3983 7.3983 7.4182 7.4182 9.9062 9.9062 9.9118 9.9118 12.1821 12.1821 12.1962 12.1962 13.0847 13.0856 k = 0.2726 0.7272 0.7196 ( 3150 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2740 -18.2740 -18.2712 -18.2712 -17.8143 -17.8143 -17.7824 -17.7824 -17.7394 -17.7394 -17.7101 -17.7101 1.4319 1.4319 1.4357 1.4357 6.5499 6.5499 6.5838 6.5838 7.4035 7.4035 7.4232 7.4232 9.9229 9.9229 9.9285 9.9285 12.1513 12.1513 12.1661 12.1661 13.0867 13.0888 k = 0.2897 0.7272 0.7196 ( 3148 PWs) bands (ev): -39.2572 -39.2572 -39.2572 -39.2572 -18.2740 -18.2740 -18.2712 -18.2712 -17.8145 -17.8145 -17.7825 -17.7825 -17.7391 -17.7391 -17.7098 -17.7098 1.4325 1.4325 1.4364 1.4364 6.5349 6.5349 6.5684 6.5684 7.4110 7.4110 7.4302 7.4302 9.9356 9.9356 9.9411 9.9411 12.1238 12.1238 12.1392 12.1392 13.0889 13.0918 k = 0.2897 0.7272 0.7196 ( 3148 PWs) bands (ev): -39.2572 -39.2572 -39.2572 -39.2572 -18.2740 -18.2740 -18.2712 -18.2712 -17.8145 -17.8145 -17.7825 -17.7825 -17.7391 -17.7391 -17.7098 -17.7098 1.4325 1.4325 1.4364 1.4364 6.5349 6.5349 6.5684 6.5684 7.4110 7.4110 7.4302 7.4302 9.9356 9.9356 9.9411 9.9411 12.1238 12.1238 12.1392 12.1392 13.0882 13.0897 k = 0.2834 0.7114 0.7196 ( 3152 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2740 -18.2740 -18.2712 -18.2712 -17.8141 -17.8141 -17.7819 -17.7819 -17.7401 -17.7401 -17.7107 -17.7107 1.4310 1.4310 1.4348 1.4348 6.5741 6.5741 6.6091 6.6091 7.3891 7.3891 7.4098 7.4098 9.9080 9.9080 9.9138 9.9138 12.1922 12.1922 12.2062 12.2062 13.0825 13.0837 k = 0.2771 0.6956 0.7196 ( 3148 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2740 -18.2740 -18.2711 -18.2711 -17.8136 -17.8136 -17.7813 -17.7813 -17.7410 -17.7410 -17.7115 -17.7115 1.4287 1.4287 1.4324 1.4324 6.6127 6.6127 6.6491 6.6491 7.3699 7.3699 7.3918 7.3918 9.8823 9.8823 9.8884 9.8884 12.2589 12.2589 12.2712 12.2712 13.0752 13.0785 k = 0.2708 0.6798 0.7196 ( 3148 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2739 -18.2739 -18.2709 -18.2709 -17.8131 -17.8131 -17.7807 -17.7807 -17.7419 -17.7419 -17.7125 -17.7125 1.4256 1.4256 1.4291 1.4291 6.6506 6.6506 6.6883 6.6883 7.3532 7.3532 7.3764 7.3764 9.8583 9.8583 9.8648 9.8648 12.3233 12.3233 12.3339 12.3339 13.0647 13.0651 k = 0.2645 0.6640 0.7196 ( 3148 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2739 -18.2739 -18.2708 -18.2708 -17.8125 -17.8125 -17.7800 -17.7800 -17.7428 -17.7428 -17.7134 -17.7134 1.4216 1.4216 1.4250 1.4250 6.6877 6.6877 6.7265 6.7265 7.3393 7.3393 7.3634 7.3634 9.8358 9.8358 9.8427 9.8427 12.3851 12.3851 12.3937 12.3937 13.0518 13.0519 k = 0.2582 0.6482 0.7196 ( 3152 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2738 -18.2738 -18.2707 -18.2707 -17.8118 -17.8118 -17.7794 -17.7794 -17.7437 -17.7437 -17.7144 -17.7144 1.4167 1.4167 1.4200 1.4200 6.7239 6.7239 6.7636 6.7636 7.3280 7.3280 7.3528 7.3528 9.8146 9.8146 9.8219 9.8219 12.4434 12.4434 12.4501 12.4501 13.0363 13.0404 k = 0.2519 0.6324 0.7196 ( 3152 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2737 -18.2737 -18.2705 -18.2705 -17.8111 -17.8111 -17.7787 -17.7787 -17.7445 -17.7445 -17.7153 -17.7153 1.4110 1.4110 1.4142 1.4142 6.7592 6.7592 6.7995 6.7995 7.3195 7.3195 7.3447 7.3447 9.7944 9.7944 9.8023 9.8023 12.4977 12.4977 12.5022 12.5022 13.0181 13.0198 k = 0.2456 0.6166 0.7196 ( 3148 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2736 -18.2736 -18.2703 -18.2703 -17.8103 -17.8103 -17.7780 -17.7780 -17.7453 -17.7453 -17.7163 -17.7163 1.4045 1.4045 1.4075 1.4075 6.7934 6.7934 6.8340 6.8340 7.3138 7.3138 7.3390 7.3390 9.7751 9.7751 9.7835 9.7835 12.5467 12.5467 12.5491 12.5491 12.9957 12.9969 k = 0.2393 0.6008 0.7196 ( 3152 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2734 -18.2734 -18.2701 -18.2701 -17.8095 -17.8095 -17.7774 -17.7774 -17.7460 -17.7460 -17.7172 -17.7172 1.3972 1.3972 1.4000 1.4000 6.8265 6.8265 6.8669 6.8669 7.3111 7.3111 7.3359 7.3359 9.7563 9.7563 9.7652 9.7652 12.5891 12.5891 12.5896 12.5896 12.9726 12.9736 k = 0.2330 0.5849 0.7196 ( 3152 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2732 -18.2732 -18.2698 -18.2698 -17.8085 -17.8085 -17.7766 -17.7766 -17.7467 -17.7467 -17.7182 -17.7182 1.3891 1.3891 1.3917 1.3917 6.8582 6.8582 6.8980 6.8980 7.3115 7.3115 7.3353 7.3353 9.7378 9.7378 9.7472 9.7472 12.6220 12.6220 12.6229 12.6229 12.9515 12.9519 k = 0.2267 0.5691 0.7196 ( 3150 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2730 -18.2730 -18.2695 -18.2695 -17.8076 -17.8076 -17.7759 -17.7759 -17.7474 -17.7474 -17.7192 -17.7192 1.3802 1.3802 1.3827 1.3827 6.8884 6.8884 6.9269 6.9269 7.3152 7.3152 7.3374 7.3374 9.7193 9.7193 9.7293 9.7293 12.6445 12.6445 12.6458 12.6458 12.9359 12.9367 k = 0.2204 0.5533 0.7196 ( 3150 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2727 -18.2727 -18.2692 -18.2692 -17.8065 -17.8065 -17.7752 -17.7752 -17.7480 -17.7480 -17.7202 -17.7202 1.3706 1.3706 1.3729 1.3729 6.9169 6.9169 6.9534 6.9534 7.3224 7.3224 7.3423 7.3423 9.7006 9.7006 9.7111 9.7111 12.6558 12.6558 12.6562 12.6562 12.9277 12.9280 k = 0.2141 0.5375 0.7196 ( 3150 PWs) bands (ev): -39.2571 -39.2571 -39.2571 -39.2571 -18.2724 -18.2724 -18.2689 -18.2689 -17.8055 -17.8055 -17.7745 -17.7745 -17.7486 -17.7486 -17.7211 -17.7211 1.3603 1.3603 1.3625 1.3625 6.9433 6.9433 6.9771 6.9771 7.3334 7.3334 7.3504 7.3504 9.6812 9.6812 9.6923 9.6923 12.6548 12.6548 12.6563 12.6563 12.9287 12.9297 k = 0.2078 0.5217 0.7196 ( 3150 PWs) bands (ev): -39.2572 -39.2572 -39.2572 -39.2572 -18.2721 -18.2721 -18.2686 -18.2686 -17.8043 -17.8043 -17.7737 -17.7737 -17.7491 -17.7491 -17.7221 -17.7221 1.3494 1.3494 1.3514 1.3514 6.9674 6.9674 6.9979 6.9979 7.3483 7.3483 7.3618 7.3618 9.6612 9.6612 9.6729 9.6729 12.6450 12.6450 12.6489 12.6489 12.9354 12.9364 k = 0.2015 0.5059 0.7196 ( 3142 PWs) bands (ev): -39.2572 -39.2572 -39.2572 -39.2572 -18.2718 -18.2718 -18.2682 -18.2682 -17.8031 -17.8031 -17.7730 -17.7730 -17.7496 -17.7496 -17.7231 -17.7231 1.3379 1.3379 1.3397 1.3397 6.9889 6.9889 7.0157 7.0157 7.3673 7.3673 7.3767 7.3767 9.6403 9.6403 9.6525 9.6525 12.6310 12.6310 12.6369 12.6369 12.9455 12.9457 k = 0.1952 0.4901 0.7196 ( 3146 PWs) bands (ev): -39.2573 -39.2573 -39.2573 -39.2573 -18.2714 -18.2714 -18.2679 -18.2679 -17.8019 -17.8019 -17.7722 -17.7722 -17.7501 -17.7501 -17.7241 -17.7241 1.3258 1.3258 1.3274 1.3274 7.0076 7.0076 7.0303 7.0303 7.3902 7.3902 7.3953 7.3953 9.6183 9.6183 9.6311 9.6311 12.6161 12.6161 12.6236 12.6236 12.9547 12.9553 k = 0.1889 0.4743 0.7196 ( 3146 PWs) bands (ev): -39.2573 -39.2573 -39.2573 -39.2573 -18.2710 -18.2710 -18.2675 -18.2675 -17.8006 -17.8006 -17.7715 -17.7715 -17.7505 -17.7505 -17.7250 -17.7250 1.3132 1.3132 1.3147 1.3147 7.0233 7.0233 7.0420 7.0420 7.4169 7.4169 7.4176 7.4176 9.5953 9.5953 9.6085 9.6085 12.6027 12.6027 12.6113 12.6113 12.9615 12.9630 k = 0.1826 0.4585 0.7196 ( 3142 PWs) bands (ev): -39.2573 -39.2573 -39.2573 -39.2573 -18.2706 -18.2706 -18.2671 -18.2671 -17.7993 -17.7993 -17.7707 -17.7707 -17.7509 -17.7509 -17.7260 -17.7260 1.3002 1.3002 1.3016 1.3016 7.0362 7.0362 7.0511 7.0511 7.4437 7.4437 7.4470 7.4470 9.5711 9.5711 9.5849 9.5849 12.5921 12.5921 12.6014 12.6014 12.9680 12.9701 k = 0.1763 0.4427 0.7196 ( 3150 PWs) bands (ev): -39.2574 -39.2574 -39.2574 -39.2574 -18.2702 -18.2702 -18.2667 -18.2667 -17.7980 -17.7980 -17.7700 -17.7700 -17.7513 -17.7513 -17.7270 -17.7270 1.2868 1.2868 1.2880 1.2880 7.0464 7.0464 7.0578 7.0578 7.4732 7.4732 7.4801 7.4801 9.5458 9.5458 9.5600 9.5600 12.5849 12.5849 12.5947 12.5947 12.9729 12.9754 k = 0.1700 0.4269 0.7196 ( 3150 PWs) bands (ev): -39.2574 -39.2574 -39.2574 -39.2574 -18.2698 -18.2698 -18.2663 -18.2663 -17.7966 -17.7966 -17.7692 -17.7692 -17.7517 -17.7517 -17.7280 -17.7280 1.2732 1.2732 1.2742 1.2742 7.0540 7.0540 7.0625 7.0625 7.5059 7.5059 7.5158 7.5158 9.5195 9.5195 9.5342 9.5342 12.5814 12.5814 12.5915 12.5915 12.9761 12.9773 k = 0.1637 0.4110 0.7196 ( 3150 PWs) bands (ev): -39.2575 -39.2575 -39.2575 -39.2575 -18.2694 -18.2694 -18.2659 -18.2659 -17.7952 -17.7952 -17.7685 -17.7685 -17.7520 -17.7520 -17.7289 -17.7289 1.2593 1.2593 1.2602 1.2602 7.0594 7.0594 7.0655 7.0655 7.5414 7.5414 7.5539 7.5539 9.4924 9.4924 9.5074 9.5074 12.5816 12.5816 12.5920 12.5920 12.9777 12.9838 k = 0.1574 0.3952 0.7196 ( 3154 PWs) bands (ev): -39.2576 -39.2576 -39.2576 -39.2576 -18.2689 -18.2689 -18.2655 -18.2655 -17.7937 -17.7937 -17.7678 -17.7678 -17.7523 -17.7523 -17.7299 -17.7299 1.2452 1.2452 1.2460 1.2460 7.0628 7.0628 7.0670 7.0670 7.5794 7.5794 7.5939 7.5939 9.4644 9.4644 9.4798 9.4798 12.5855 12.5855 12.5959 12.5959 12.9779 12.9790 k = 0.1511 0.3794 0.7196 ( 3156 PWs) bands (ev): -39.2576 -39.2576 -39.2576 -39.2576 -18.2684 -18.2684 -18.2651 -18.2651 -17.7923 -17.7923 -17.7671 -17.7671 -17.7525 -17.7525 -17.7308 -17.7308 1.2311 1.2311 1.2317 1.2317 7.0645 7.0645 7.0672 7.0672 7.6195 7.6195 7.6355 7.6355 9.4360 9.4360 9.4516 9.4516 12.5926 12.5926 12.6030 12.6030 12.9768 12.9778 k = 0.1448 0.3636 0.7196 ( 3152 PWs) bands (ev): -39.2577 -39.2577 -39.2577 -39.2577 -18.2680 -18.2680 -18.2647 -18.2647 -17.7908 -17.7908 -17.7664 -17.7664 -17.7527 -17.7527 -17.7318 -17.7318 1.2169 1.2169 1.2174 1.2174 7.0649 7.0649 7.0664 7.0664 7.6614 7.6614 7.6786 7.6786 9.4072 9.4072 9.4231 9.4231 12.6027 12.6027 12.6130 12.6130 12.9744 12.9747 k = 0.1385 0.3478 0.7196 ( 3152 PWs) bands (ev): -39.2577 -39.2577 -39.2577 -39.2577 -18.2675 -18.2675 -18.2642 -18.2642 -17.7893 -17.7893 -17.7657 -17.7657 -17.7529 -17.7529 -17.7327 -17.7327 1.2027 1.2027 1.2031 1.2031 7.0639 7.0639 7.0646 7.0646 7.7047 7.7047 7.7227 7.7227 9.3782 9.3782 9.3943 9.3943 12.6152 12.6152 12.6255 12.6255 12.9710 12.9717 k = 0.1322 0.3320 0.7196 ( 3152 PWs) bands (ev): -39.2578 -39.2578 -39.2578 -39.2578 -18.2670 -18.2670 -18.2638 -18.2638 -17.7878 -17.7878 -17.7650 -17.7650 -17.7531 -17.7531 -17.7336 -17.7336 1.1886 1.1886 1.1890 1.1890 7.0620 7.0620 7.0620 7.0620 7.7491 7.7491 7.7677 7.7677 9.3493 9.3493 9.3655 9.3655 12.6298 12.6298 12.6400 12.6400 12.9670 12.9688 k = 0.1259 0.3162 0.7196 ( 3156 PWs) bands (ev): -39.2579 -39.2579 -39.2579 -39.2579 -18.2665 -18.2665 -18.2634 -18.2634 -17.7863 -17.7863 -17.7644 -17.7644 -17.7532 -17.7532 -17.7345 -17.7345 1.1747 1.1747 1.1749 1.1749 7.0587 7.0587 7.0591 7.0591 7.7944 7.7944 7.8132 7.8132 9.3207 9.3207 9.3370 9.3370 12.6458 12.6458 12.6560 12.6560 12.9624 12.9638 k = 0.1196 0.3004 0.7196 ( 3158 PWs) bands (ev): -39.2579 -39.2579 -39.2579 -39.2579 -18.2660 -18.2660 -18.2631 -18.2631 -17.7848 -17.7848 -17.7637 -17.7637 -17.7533 -17.7533 -17.7354 -17.7354 1.1610 1.1610 1.1612 1.1612 7.0549 7.0549 7.0555 7.0555 7.8402 7.8402 7.8592 7.8592 9.2925 9.2925 9.3089 9.3089 12.6629 12.6629 12.6730 12.6730 12.9576 12.9578 k = 0.1133 0.2846 0.7196 ( 3166 PWs) bands (ev): -39.2580 -39.2580 -39.2580 -39.2580 -18.2656 -18.2656 -18.2627 -18.2627 -17.7833 -17.7833 -17.7632 -17.7632 -17.7534 -17.7534 -17.7363 -17.7363 1.1476 1.1476 1.1477 1.1477 7.0506 7.0506 7.0514 7.0514 7.8862 7.8862 7.9052 7.9052 9.2649 9.2649 9.2813 9.2813 12.6804 12.6804 12.6906 12.6906 12.9521 12.9528 k = 0.1070 0.2688 0.7196 ( 3166 PWs) bands (ev): -39.2581 -39.2581 -39.2581 -39.2581 -18.2651 -18.2651 -18.2623 -18.2623 -17.7818 -17.7818 -17.7626 -17.7626 -17.7535 -17.7535 -17.7372 -17.7372 1.1345 1.1345 1.1345 1.1345 7.0459 7.0459 7.0468 7.0468 7.9323 7.9323 7.9510 7.9510 9.2382 9.2382 9.2545 9.2545 12.6980 12.6980 12.7081 12.7081 12.9468 12.9469 k = 0.1008 0.2529 0.7196 ( 3166 PWs) bands (ev): -39.2581 -39.2581 -39.2581 -39.2581 -18.2646 -18.2646 -18.2620 -18.2620 -17.7803 -17.7803 -17.7621 -17.7621 -17.7535 -17.7535 -17.7381 -17.7381 1.1218 1.1218 1.1218 1.1218 7.0409 7.0409 7.0418 7.0418 7.9780 7.9780 7.9965 7.9965 9.2125 9.2125 9.2286 9.2286 12.7151 12.7151 12.7252 12.7252 12.9415 12.9427 k = 0.0945 0.2371 0.7196 ( 3166 PWs) bands (ev): -39.2582 -39.2582 -39.2582 -39.2582 -18.2642 -18.2642 -18.2617 -18.2617 -17.7789 -17.7789 -17.7616 -17.7616 -17.7535 -17.7535 -17.7389 -17.7389 1.1096 1.1096 1.1096 1.1096 7.0357 7.0357 7.0366 7.0366 8.0232 8.0232 8.0412 8.0412 9.1879 9.1879 9.2037 9.2037 12.7313 12.7313 12.7414 12.7414 12.9366 12.9369 k = 0.0882 0.2213 0.7196 ( 3172 PWs) bands (ev): -39.2583 -39.2583 -39.2583 -39.2583 -18.2638 -18.2638 -18.2614 -18.2614 -17.7774 -17.7774 -17.7612 -17.7612 -17.7535 -17.7535 -17.7397 -17.7397 1.0979 1.0979 1.0980 1.0980 7.0303 7.0303 7.0312 7.0312 8.0673 8.0673 8.0849 8.0849 9.1644 9.1644 9.1800 9.1800 12.7463 12.7463 12.7563 12.7563 12.9322 12.9338 k = 0.0819 0.2055 0.7196 ( 3160 PWs) bands (ev): -39.2583 -39.2583 -39.2583 -39.2583 -18.2633 -18.2633 -18.2611 -18.2611 -17.7760 -17.7760 -17.7607 -17.7607 -17.7534 -17.7534 -17.7405 -17.7405 1.0868 1.0868 1.0869 1.0869 7.0250 7.0250 7.0258 7.0258 8.1104 8.1104 8.1274 8.1274 9.1424 9.1424 9.1576 9.1576 12.7598 12.7598 12.7697 12.7697 12.9278 12.9293 k = 0.0756 0.1897 0.7196 ( 3160 PWs) bands (ev): -39.2584 -39.2584 -39.2584 -39.2584 -18.2629 -18.2629 -18.2608 -18.2608 -17.7746 -17.7746 -17.7604 -17.7604 -17.7534 -17.7534 -17.7413 -17.7413 1.0762 1.0762 1.0764 1.0764 7.0197 7.0197 7.0204 7.0204 8.1520 8.1520 8.1684 8.1684 9.1217 9.1217 9.1364 9.1364 12.7715 12.7715 12.7811 12.7811 12.9242 12.9279 k = 0.0693 0.1739 0.7196 ( 3160 PWs) bands (ev): -39.2584 -39.2584 -39.2584 -39.2584 -18.2625 -18.2625 -18.2606 -18.2606 -17.7733 -17.7733 -17.7601 -17.7601 -17.7533 -17.7533 -17.7421 -17.7421 1.0664 1.0664 1.0665 1.0665 7.0144 7.0144 7.0150 7.0150 8.1918 8.1918 8.2074 8.2074 9.1025 9.1025 9.1167 9.1167 12.7814 12.7814 12.7905 12.7905 12.9218 12.9247 k = 0.0630 0.1581 0.7196 ( 3164 PWs) bands (ev): -39.2585 -39.2585 -39.2585 -39.2585 -18.2621 -18.2621 -18.2604 -18.2604 -17.7720 -17.7720 -17.7599 -17.7599 -17.7531 -17.7531 -17.7429 -17.7429 1.0573 1.0573 1.0574 1.0574 7.0094 7.0094 7.0099 7.0099 8.2295 8.2295 8.2443 8.2443 9.0848 9.0848 9.0984 9.0984 12.7894 12.7894 12.7979 12.7979 12.9191 12.9197 k = 0.0567 0.1423 0.7196 ( 3160 PWs) bands (ev): -39.2585 -39.2585 -39.2585 -39.2585 -18.2618 -18.2618 -18.2602 -18.2602 -17.7707 -17.7707 -17.7597 -17.7597 -17.7529 -17.7529 -17.7436 -17.7436 1.0489 1.0489 1.0491 1.0491 7.0046 7.0046 7.0050 7.0050 8.2648 8.2648 8.2787 8.2787 9.0688 9.0688 9.0816 9.0816 12.7957 12.7957 12.8035 12.8035 12.9187 12.9223 k = 0.0504 0.1265 0.7196 ( 3172 PWs) bands (ev): -39.2586 -39.2586 -39.2585 -39.2585 -18.2615 -18.2615 -18.2600 -18.2600 -17.7696 -17.7696 -17.7597 -17.7597 -17.7527 -17.7527 -17.7444 -17.7444 1.0413 1.0413 1.0415 1.0415 7.0001 7.0001 7.0005 7.0005 8.2975 8.2975 8.3104 8.3104 9.0543 9.0543 9.0663 9.0663 12.8004 12.8004 12.8073 12.8073 12.9167 12.9176 k = 0.0441 0.1107 0.7196 ( 3180 PWs) bands (ev): -39.2586 -39.2586 -39.2586 -39.2586 -18.2612 -18.2612 -18.2599 -18.2599 -17.7684 -17.7684 -17.7597 -17.7597 -17.7525 -17.7525 -17.7451 -17.7451 1.0345 1.0345 1.0347 1.0347 6.9960 6.9960 6.9963 6.9963 8.3272 8.3272 8.3389 8.3389 9.0416 9.0416 9.0525 9.0525 12.8038 12.8038 12.8098 12.8098 12.9161 12.9179 k = 0.0378 0.0949 0.7196 ( 3176 PWs) bands (ev): -39.2586 -39.2586 -39.2586 -39.2586 -18.2609 -18.2609 -18.2598 -18.2598 -17.7674 -17.7674 -17.7598 -17.7598 -17.7521 -17.7521 -17.7458 -17.7458 1.0286 1.0286 1.0287 1.0287 6.9923 6.9923 6.9926 6.9926 8.3539 8.3539 8.3642 8.3642 9.0307 9.0307 9.0404 9.0404 12.8062 12.8062 12.8112 12.8112 12.9161 12.9168 k = 0.0315 0.0790 0.7196 ( 3172 PWs) bands (ev): -39.2586 -39.2586 -39.2586 -39.2586 -18.2606 -18.2606 -18.2597 -18.2597 -17.7663 -17.7663 -17.7600 -17.7600 -17.7518 -17.7518 -17.7464 -17.7464 1.0236 1.0236 1.0237 1.0237 6.9892 6.9892 6.9893 6.9893 8.3770 8.3770 8.3860 8.3860 9.0215 9.0215 9.0299 9.0299 12.8078 12.8078 12.8119 12.8119 12.9166 12.9193 k = 0.0252 0.0632 0.7196 ( 3164 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2604 -18.2604 -18.2597 -18.2597 -17.7653 -17.7653 -17.7603 -17.7603 -17.7513 -17.7513 -17.7471 -17.7471 1.0194 1.0194 1.0195 1.0195 6.9865 6.9865 6.9866 6.9866 8.3965 8.3965 8.4039 8.4039 9.0141 9.0141 9.0211 9.0211 12.8089 12.8089 12.8121 12.8121 12.9156 12.9171 k = 0.0189 0.0474 0.7196 ( 3168 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2602 -18.2602 -18.2597 -18.2597 -17.7645 -17.7645 -17.7606 -17.7606 -17.7509 -17.7509 -17.7477 -17.7477 1.0162 1.0162 1.0162 1.0162 6.9844 6.9844 6.9845 6.9845 8.4122 8.4122 8.4178 8.4178 9.0086 9.0086 9.0140 9.0140 12.8096 12.8096 12.8120 12.8120 12.9157 12.9175 k = 0.0126 0.0316 0.7196 ( 3164 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2600 -18.2600 -18.2597 -18.2597 -17.7636 -17.7636 -17.7611 -17.7611 -17.7505 -17.7505 -17.7483 -17.7483 1.0138 1.0138 1.0139 1.0139 6.9828 6.9828 6.9829 6.9829 8.4238 8.4238 8.4276 8.4276 9.0049 9.0049 9.0085 9.0085 12.8101 12.8101 12.8117 12.8117 12.9166 12.9171 k = 0.0063 0.0158 0.7196 ( 3160 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2599 -18.2599 -18.2597 -18.2597 -17.7629 -17.7629 -17.7616 -17.7616 -17.7499 -17.7499 -17.7489 -17.7489 1.0125 1.0125 1.0125 1.0125 6.9819 6.9819 6.9820 6.9820 8.4312 8.4312 8.4331 8.4331 9.0030 9.0030 9.0049 9.0049 12.8105 12.8105 12.8113 12.8113 12.9165 12.9169 k = 0.0000 0.0000 0.7196 ( 3152 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2598 -18.2598 -18.2598 -18.2598 -17.7622 -17.7622 -17.7622 -17.7622 -17.7494 -17.7494 -17.7494 -17.7494 1.0120 1.0120 1.0120 1.0120 6.9816 6.9816 6.9816 6.9816 8.4344 8.4344 8.4344 8.4344 9.0031 9.0031 9.0031 9.0031 12.8109 12.8109 12.8109 12.8109 12.9165 12.9165 k = 0.0000 0.0000 0.7196 ( 3152 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2598 -18.2598 -18.2598 -18.2598 -17.7622 -17.7622 -17.7622 -17.7622 -17.7494 -17.7494 -17.7494 -17.7494 1.0120 1.0120 1.0120 1.0120 6.9816 6.9816 6.9816 6.9816 8.4344 8.4344 8.4344 8.4344 9.0031 9.0031 9.0031 9.0031 12.8109 12.8109 12.8109 12.8109 12.9165 12.9165 k = 0.0000 0.0000 0.7025 ( 3158 PWs) bands (ev): -39.2593 -39.2593 -39.2582 -39.2582 -18.2615 -18.2615 -18.2580 -18.2580 -17.7636 -17.7636 -17.7611 -17.7611 -17.7504 -17.7504 -17.7480 -17.7480 0.9035 0.9035 1.1218 1.1218 6.9032 6.9032 7.0601 7.0601 8.4032 8.4032 8.4672 8.4672 8.9521 8.9521 9.0573 9.0573 12.8019 12.8019 12.8179 12.8179 12.8948 12.8948 k = 0.0000 0.0000 0.6853 ( 3166 PWs) bands (ev): -39.2598 -39.2598 -39.2576 -39.2576 -18.2631 -18.2631 -18.2563 -18.2563 -17.7652 -17.7652 -17.7604 -17.7604 -17.7510 -17.7510 -17.7463 -17.7463 0.7964 0.7964 1.2328 1.2328 6.8257 6.8257 7.1378 7.1378 8.3738 8.3738 8.5020 8.5020 8.9051 8.9051 9.1142 9.1142 12.7907 12.7907 12.8226 12.8226 12.8657 12.8657 k = 0.0000 0.0000 0.6682 ( 3164 PWs) bands (ev): -39.2604 -39.2604 -39.2571 -39.2571 -18.2647 -18.2647 -18.2545 -18.2545 -17.7669 -17.7669 -17.7602 -17.7602 -17.7510 -17.7510 -17.7443 -17.7443 0.6909 0.6909 1.3446 1.3446 6.7497 6.7497 7.2135 7.2135 8.3462 8.3462 8.5386 8.5386 8.8631 8.8631 9.1731 9.1731 12.7774 12.7774 12.8236 12.8236 12.8314 12.8314 k = 0.0000 0.0000 0.6511 ( 3164 PWs) bands (ev): -39.2610 -39.2610 -39.2566 -39.2566 -18.2663 -18.2663 -18.2527 -18.2527 -17.7688 -17.7688 -17.7604 -17.7604 -17.7505 -17.7505 -17.7422 -17.7422 0.5871 0.5871 1.4572 1.4572 6.6759 6.6759 7.2860 7.2860 8.3203 8.3203 8.5770 8.5770 8.8273 8.8273 9.2337 9.2337 12.7619 12.7619 12.7863 12.7863 12.8268 12.8268 k = 0.0000 0.0000 0.6339 ( 3168 PWs) bands (ev): -39.2616 -39.2616 -39.2561 -39.2561 -18.2678 -18.2678 -18.2509 -18.2509 -17.7707 -17.7707 -17.7608 -17.7608 -17.7496 -17.7496 -17.7399 -17.7399 0.4851 0.4851 1.5703 1.5703 6.6048 6.6048 7.3536 7.3536 8.2960 8.2960 8.6172 8.6172 8.7990 8.7990 9.2957 9.2957 12.7359 12.7359 12.7462 12.7462 12.8255 12.8255 k = 0.0000 0.0000 0.6168 ( 3166 PWs) bands (ev): -39.2622 -39.2622 -39.2556 -39.2556 -18.2693 -18.2693 -18.2490 -18.2490 -17.7727 -17.7727 -17.7613 -17.7613 -17.7485 -17.7485 -17.7375 -17.7375 0.3851 0.3851 1.6835 1.6835 6.5370 6.5370 7.4148 7.4148 8.2734 8.2734 8.6593 8.6593 8.7800 8.7800 9.3585 9.3585 12.6822 12.6822 12.7262 12.7262 12.8221 12.8221 k = 0.0000 0.0000 0.5997 ( 3166 PWs) bands (ev): -39.2628 -39.2628 -39.2551 -39.2551 -18.2707 -18.2707 -18.2471 -18.2471 -17.7747 -17.7747 -17.7618 -17.7618 -17.7473 -17.7473 -17.7350 -17.7350 0.2871 0.2871 1.7966 1.7966 6.4729 6.4729 7.4677 7.4677 8.2523 8.2523 8.7029 8.7029 8.7721 8.7721 9.4221 9.4221 12.6227 12.6227 12.7052 12.7052 12.8131 12.8132 k = 0.0000 0.0000 0.5825 ( 3166 PWs) bands (ev): -39.2634 -39.2634 -39.2547 -39.2547 -18.2721 -18.2721 -18.2452 -18.2452 -17.7767 -17.7767 -17.7623 -17.7623 -17.7460 -17.7460 -17.7324 -17.7324 0.1912 0.1912 1.9093 1.9093 6.4131 6.4131 7.5105 7.5105 8.2327 8.2327 8.7468 8.7468 8.7780 8.7780 9.4862 9.4862 12.5586 12.5586 12.6826 12.6826 12.7765 12.7767 k = 0.0000 0.0000 0.5654 ( 3162 PWs) bands (ev): -39.2640 -39.2640 -39.2542 -39.2542 -18.2734 -18.2734 -18.2432 -18.2432 -17.7787 -17.7787 -17.7628 -17.7628 -17.7447 -17.7447 -17.7297 -17.7297 0.0975 0.0975 2.0211 2.0211 6.3580 6.3580 7.5422 7.5422 8.2146 8.2146 8.7840 8.7840 8.8057 8.8057 9.5505 9.5505 12.4908 12.4908 12.6586 12.6586 12.7314 12.7315 k = 0.0000 0.0000 0.5483 ( 3166 PWs) bands (ev): -39.2646 -39.2646 -39.2538 -39.2538 -18.2747 -18.2747 -18.2413 -18.2413 -17.7807 -17.7807 -17.7632 -17.7632 -17.7433 -17.7433 -17.7270 -17.7270 0.0060 0.0060 2.1316 2.1316 6.3083 6.3083 7.5620 7.5620 8.1979 8.1979 8.8183 8.8183 8.8518 8.8518 9.6148 9.6148 12.4197 12.4197 12.6333 12.6333 12.6854 12.6854 k = 0.0000 0.0000 0.5311 ( 3162 PWs) bands (ev): -39.2652 -39.2652 -39.2534 -39.2534 -18.2759 -18.2759 -18.2394 -18.2394 -17.7826 -17.7826 -17.7635 -17.7635 -17.7420 -17.7420 -17.7242 -17.7242 -0.0832 -0.0832 2.2403 2.2403 6.2645 6.2645 7.5704 7.5704 8.1826 8.1826 8.8627 8.8627 8.9028 8.9028 9.6788 9.6788 12.3460 12.3460 12.6066 12.6066 12.6401 12.6401 k = 0.0000 0.0000 0.5140 ( 3166 PWs) bands (ev): -39.2658 -39.2658 -39.2530 -39.2530 -18.2771 -18.2771 -18.2374 -18.2374 -17.7845 -17.7845 -17.7638 -17.7638 -17.7406 -17.7406 -17.7215 -17.7215 -0.1700 -0.1700 2.3467 2.3467 6.2271 6.2271 7.5682 7.5682 8.1687 8.1687 8.9183 8.9183 8.9563 8.9563 9.7423 9.7423 12.2703 12.2703 12.5783 12.5783 12.5967 12.5967 k = 0.0000 0.0000 0.4969 ( 3158 PWs) bands (ev): -39.2663 -39.2663 -39.2526 -39.2526 -18.2782 -18.2782 -18.2355 -18.2355 -17.7864 -17.7864 -17.7640 -17.7640 -17.7393 -17.7393 -17.7186 -17.7186 -0.2544 -0.2544 2.4503 2.4503 6.1968 6.1968 7.5570 7.5570 8.1560 8.1560 8.9837 8.9837 9.0119 9.0119 9.8052 9.8052 12.1931 12.1931 12.5462 12.5462 12.5584 12.5584 k = 0.0000 0.0000 0.4797 ( 3162 PWs) bands (ev): -39.2669 -39.2669 -39.2522 -39.2522 -18.2793 -18.2793 -18.2336 -18.2336 -17.7882 -17.7882 -17.7641 -17.7641 -17.7380 -17.7380 -17.7158 -17.7158 -0.3363 -0.3363 2.5504 2.5504 6.1742 6.1742 7.5385 7.5385 8.1446 8.1446 9.0567 9.0567 9.0694 9.0694 9.8670 9.8670 12.1150 12.1150 12.5093 12.5093 12.5269 12.5269 k = 0.0000 0.0000 0.4626 ( 3162 PWs) bands (ev): -39.2675 -39.2675 -39.2518 -39.2518 -18.2804 -18.2804 -18.2317 -18.2317 -17.7901 -17.7901 -17.7642 -17.7642 -17.7366 -17.7366 -17.7130 -17.7130 -0.4157 -0.4157 2.6464 2.6464 6.1599 6.1599 7.5142 7.5142 8.1344 8.1344 9.1281 9.1281 9.1364 9.1364 9.9275 9.9275 12.0365 12.0365 12.4730 12.4730 12.4974 12.4974 k = 0.0000 0.0000 0.4455 ( 3158 PWs) bands (ev): -39.2681 -39.2681 -39.2515 -39.2515 -18.2814 -18.2814 -18.2299 -18.2299 -17.7918 -17.7918 -17.7642 -17.7642 -17.7353 -17.7353 -17.7101 -17.7101 -0.4925 -0.4925 2.7376 2.7376 6.1546 6.1546 7.4856 7.4856 8.1254 8.1254 9.1896 9.1896 9.2194 9.2194 9.9864 9.9864 11.9581 11.9581 12.4396 12.4396 12.4684 12.4684 k = 0.0000 0.0000 0.4283 ( 3162 PWs) bands (ev): -39.2687 -39.2687 -39.2512 -39.2512 -18.2824 -18.2824 -18.2280 -18.2280 -17.7936 -17.7936 -17.7641 -17.7641 -17.7340 -17.7340 -17.7073 -17.7073 -0.5667 -0.5667 2.8236 2.8236 6.1588 6.1588 7.4538 7.4538 8.1173 8.1173 9.2525 9.2525 9.3050 9.3050 10.0433 10.0433 11.8803 11.8803 12.4097 12.4097 12.4395 12.4395 k = 0.0000 0.0000 0.4112 ( 3162 PWs) bands (ev): -39.2692 -39.2692 -39.2509 -39.2509 -18.2833 -18.2833 -18.2262 -18.2262 -17.7953 -17.7953 -17.7639 -17.7639 -17.7327 -17.7327 -17.7045 -17.7045 -0.6383 -0.6383 2.9036 2.9036 6.1732 6.1732 7.4198 7.4198 8.1103 8.1103 9.3171 9.3171 9.3918 9.3918 10.0976 10.0976 11.8037 11.8037 12.3837 12.3837 12.4110 12.4110 k = 0.0000 0.0000 0.3941 ( 3168 PWs) bands (ev): -39.2698 -39.2698 -39.2506 -39.2506 -18.2842 -18.2842 -18.2245 -18.2245 -17.7969 -17.7969 -17.7637 -17.7637 -17.7315 -17.7315 -17.7017 -17.7017 -0.7072 -0.7072 2.9772 2.9772 6.1980 6.1980 7.3845 7.3845 8.1042 8.1042 9.3834 9.3834 9.4782 9.4782 10.1488 10.1488 11.7287 11.7287 12.3619 12.3619 12.3830 12.3830 k = 0.0000 0.0000 0.3769 ( 3168 PWs) bands (ev): -39.2703 -39.2703 -39.2503 -39.2503 -18.2851 -18.2851 -18.2227 -18.2227 -17.7985 -17.7985 -17.7635 -17.7635 -17.7303 -17.7303 -17.6989 -17.6989 -0.7734 -0.7734 3.0442 3.0442 6.2337 6.2337 7.3483 7.3483 8.0989 8.0989 9.4512 9.4512 9.5634 9.5634 10.1963 10.1963 11.6561 11.6561 12.3440 12.3440 12.3561 12.3561 k = 0.0000 0.0000 0.3598 ( 3160 PWs) bands (ev): -39.2708 -39.2708 -39.2500 -39.2500 -18.2859 -18.2859 -18.2210 -18.2210 -17.8000 -17.8000 -17.7631 -17.7631 -17.7291 -17.7291 -17.6961 -17.6961 -0.8368 -0.8368 3.1041 3.1041 6.2804 6.2804 7.3120 7.3120 8.0945 8.0945 9.5207 9.5207 9.6461 9.6461 10.2393 10.2393 11.5866 11.5866 12.3251 12.3251 12.3357 12.3357 k = 0.0000 0.0000 0.3427 ( 3160 PWs) bands (ev): -39.2714 -39.2714 -39.2497 -39.2497 -18.2866 -18.2866 -18.2194 -18.2194 -17.8015 -17.8015 -17.7628 -17.7628 -17.7280 -17.7280 -17.6934 -17.6934 -0.8975 -0.8975 3.1570 3.1570 6.3380 6.3380 7.2757 7.2757 8.0908 8.0908 9.5914 9.5914 9.7253 9.7253 10.2765 10.2765 11.5211 11.5211 12.3003 12.3003 12.3267 12.3267 k = 0.0000 0.0000 0.3255 ( 3158 PWs) bands (ev): -39.2718 -39.2718 -39.2495 -39.2495 -18.2874 -18.2874 -18.2178 -18.2178 -17.8029 -17.8029 -17.7624 -17.7624 -17.7269 -17.7269 -17.6908 -17.6908 -0.9554 -0.9554 3.2030 3.2030 6.4063 6.4063 7.2400 7.2400 8.0877 8.0877 9.6634 9.6634 9.8004 9.8004 10.3069 10.3069 11.4606 11.4606 12.2751 12.2751 12.3235 12.3235 k = 0.0000 0.0000 0.3084 ( 3154 PWs) bands (ev): -39.2723 -39.2723 -39.2493 -39.2493 -18.2881 -18.2881 -18.2162 -18.2162 -17.8042 -17.8042 -17.7620 -17.7620 -17.7259 -17.7259 -17.6882 -17.6882 -1.0105 -1.0105 3.2423 3.2423 6.4850 6.4850 7.2051 7.2051 8.0852 8.0852 9.7366 9.7366 9.8707 9.8707 10.3289 10.3289 11.4064 11.4064 12.2507 12.2507 12.3250 12.3250 k = 0.0000 0.0000 0.2913 ( 3148 PWs) bands (ev): -39.2728 -39.2728 -39.2491 -39.2491 -18.2887 -18.2887 -18.2148 -18.2148 -17.8055 -17.8055 -17.7615 -17.7615 -17.7248 -17.7248 -17.6857 -17.6857 -1.0627 -1.0627 3.2753 3.2753 6.5734 6.5734 7.1714 7.1714 8.0833 8.0833 9.8107 9.8107 9.9355 9.9355 10.3410 10.3410 11.3596 11.3596 12.2274 12.2274 12.3304 12.3304 k = 0.0000 0.0000 0.2741 ( 3140 PWs) bands (ev): -39.2732 -39.2732 -39.2489 -39.2489 -18.2893 -18.2893 -18.2133 -18.2133 -17.8068 -17.8068 -17.7610 -17.7610 -17.7239 -17.7239 -17.6832 -17.6832 -1.1120 -1.1120 3.3025 3.3025 6.6708 6.6708 7.1391 7.1391 8.0819 8.0819 9.8857 9.8857 9.9946 9.9946 10.3417 10.3417 11.3216 11.3216 12.2050 12.2050 12.3392 12.3392 k = 0.0000 0.0000 0.2570 ( 3140 PWs) bands (ev): -39.2736 -39.2736 -39.2487 -39.2487 -18.2899 -18.2899 -18.2120 -18.2120 -17.8079 -17.8079 -17.7605 -17.7605 -17.7230 -17.7230 -17.6809 -17.6809 -1.1585 -1.1585 3.3245 3.3245 6.7761 6.7761 7.1086 7.1086 8.0809 8.0809 9.9611 9.9611 10.0478 10.0478 10.3298 10.3298 11.2931 11.2931 12.1838 12.1838 12.3506 12.3506 k = 0.0000 0.0000 0.2399 ( 3136 PWs) bands (ev): -39.2740 -39.2740 -39.2485 -39.2485 -18.2904 -18.2904 -18.2108 -18.2108 -17.8090 -17.8090 -17.7600 -17.7600 -17.7221 -17.7221 -17.6787 -17.6787 -1.2021 -1.2021 3.3419 3.3419 6.8871 6.8871 7.0816 7.0816 8.0802 8.0802 10.0367 10.0367 10.0950 10.0950 10.3050 10.3050 11.2742 11.2742 12.1638 12.1638 12.3636 12.3636 k = 0.0000 0.0000 0.2227 ( 3138 PWs) bands (ev): -39.2744 -39.2744 -39.2484 -39.2484 -18.2909 -18.2909 -18.2096 -18.2096 -17.8101 -17.8101 -17.7595 -17.7595 -17.7213 -17.7213 -17.6766 -17.6766 -1.2427 -1.2427 3.3554 3.3554 6.9910 6.9910 7.0699 7.0699 8.0798 8.0798 10.1114 10.1114 10.1365 10.1365 10.2678 10.2678 11.2642 11.2642 12.1451 12.1451 12.3773 12.3773 k = 0.0000 0.0000 0.2056 ( 3142 PWs) bands (ev): -39.2748 -39.2748 -39.2482 -39.2482 -18.2914 -18.2914 -18.2085 -18.2085 -17.8110 -17.8110 -17.7591 -17.7591 -17.7206 -17.7206 -17.6746 -17.6746 -1.2804 -1.2804 3.3654 3.3654 7.0094 7.0094 7.1514 7.1514 8.0797 8.0797 10.1704 10.1704 10.1800 10.1800 10.2262 10.2262 11.2621 11.2621 12.1277 12.1277 12.3907 12.3907 k = 0.0000 0.0000 0.1885 ( 3140 PWs) bands (ev): -39.2751 -39.2751 -39.2481 -39.2481 -18.2919 -18.2919 -18.2074 -18.2074 -17.8120 -17.8120 -17.7586 -17.7586 -17.7199 -17.7199 -17.6727 -17.6727 -1.3151 -1.3151 3.3726 3.3726 6.9898 6.9898 7.2777 7.2777 8.0798 8.0798 10.1487 10.1487 10.2029 10.2029 10.2692 10.2692 11.2662 11.2662 12.1115 12.1115 12.4017 12.4017 k = 0.0000 0.0000 0.1713 ( 3136 PWs) bands (ev): -39.2754 -39.2754 -39.2480 -39.2480 -18.2922 -18.2922 -18.2065 -18.2065 -17.8128 -17.8128 -17.7582 -17.7582 -17.7192 -17.7192 -17.6710 -17.6710 -1.3469 -1.3469 3.3776 3.3776 6.9685 6.9685 7.4117 7.4117 8.0801 8.0801 10.0794 10.0794 10.2286 10.2286 10.3411 10.3411 11.2747 11.2747 12.0968 12.0968 12.3877 12.3877 k = 0.0000 0.0000 0.1542 ( 3136 PWs) bands (ev): -39.2757 -39.2757 -39.2479 -39.2479 -18.2926 -18.2926 -18.2056 -18.2056 -17.8135 -17.8135 -17.7577 -17.7577 -17.7186 -17.7186 -17.6694 -17.6694 -1.3757 -1.3757 3.3807 3.3807 6.9483 6.9483 7.5495 7.5495 8.0806 8.0806 10.0000 10.0000 10.2503 10.2503 10.4126 10.4126 11.2861 11.2861 12.0834 12.0834 12.3605 12.3605 k = 0.0000 0.0000 0.1371 ( 3140 PWs) bands (ev): -39.2759 -39.2759 -39.2478 -39.2478 -18.2929 -18.2929 -18.2048 -18.2048 -17.8142 -17.8142 -17.7574 -17.7574 -17.7181 -17.7181 -17.6680 -17.6680 -1.4014 -1.4014 3.3824 3.3824 6.9298 6.9298 7.6896 7.6896 8.0812 8.0812 9.9127 9.9127 10.2682 10.2682 10.4820 10.4820 11.2991 11.2991 12.0714 12.0714 12.3320 12.3320 k = 0.0000 0.0000 0.1199 ( 3140 PWs) bands (ev): -39.2761 -39.2761 -39.2477 -39.2477 -18.2932 -18.2932 -18.2042 -18.2042 -17.8148 -17.8148 -17.7570 -17.7570 -17.7176 -17.7176 -17.6667 -17.6667 -1.4242 -1.4242 3.3831 3.3831 6.9132 6.9132 7.8307 7.8307 8.0820 8.0820 9.8189 9.8189 10.2828 10.2828 10.5480 10.5480 11.3126 11.3126 12.0608 12.0608 12.3030 12.3030 k = 0.0000 0.0000 0.1028 ( 3137 PWs) bands (ev): -39.2763 -39.2763 -39.2476 -39.2476 -18.2935 -18.2935 -18.2036 -18.2036 -17.8153 -17.8153 -17.7567 -17.7567 -17.7172 -17.7172 -17.6656 -17.6656 -1.4440 -1.4440 3.3832 3.3832 6.8988 6.8988 7.9705 7.9705 8.0840 8.0840 9.7196 9.7196 10.2945 10.2945 10.6095 10.6095 11.3258 11.3258 12.0516 12.0516 12.2742 12.2742 k = 0.0000 0.0000 0.0857 ( 3137 PWs) bands (ev): -39.2765 -39.2765 -39.2475 -39.2475 -18.2937 -18.2937 -18.2031 -18.2031 -17.8157 -17.8157 -17.7564 -17.7564 -17.7169 -17.7169 -17.6646 -17.6646 -1.4607 -1.4607 3.3828 3.3828 6.8864 6.8864 8.0742 8.0742 8.1201 8.1201 9.6164 9.6164 10.3038 10.3038 10.6654 10.6654 11.3379 11.3379 12.0438 12.0438 12.2465 12.2465 k = 0.0000 0.0000 0.0685 ( 3137 PWs) bands (ev): -39.2766 -39.2766 -39.2475 -39.2475 -18.2938 -18.2938 -18.2026 -18.2026 -17.8161 -17.8161 -17.7561 -17.7561 -17.7166 -17.7166 -17.6638 -17.6638 -1.4744 -1.4744 3.3822 3.3822 6.8762 6.8762 8.0804 8.0804 8.2495 8.2495 9.5114 9.5114 10.3109 10.3109 10.7142 10.7142 11.3484 11.3484 12.0374 12.0374 12.2211 12.2211 k = 0.0000 0.0000 0.0514 ( 3131 PWs) bands (ev): -39.2767 -39.2767 -39.2475 -39.2475 -18.2940 -18.2940 -18.2023 -18.2023 -17.8164 -17.8164 -17.7559 -17.7559 -17.7164 -17.7164 -17.6632 -17.6632 -1.4850 -1.4850 3.3815 3.3815 6.8683 6.8683 8.0816 8.0816 8.3760 8.3760 9.4079 9.4079 10.3162 10.3162 10.7544 10.7544 11.3570 11.3570 12.0325 12.0325 12.1992 12.1992 k = 0.0000 0.0000 0.0343 ( 3135 PWs) bands (ev): -39.2768 -39.2768 -39.2474 -39.2474 -18.2941 -18.2941 -18.2021 -18.2021 -17.8166 -17.8166 -17.7558 -17.7558 -17.7163 -17.7163 -17.6628 -17.6628 -1.4927 -1.4927 3.3809 3.3809 6.8626 6.8626 8.0820 8.0820 8.4880 8.4880 9.3127 9.3127 10.3198 10.3198 10.7845 10.7845 11.3633 11.3633 12.0289 12.0289 12.1823 12.1823 k = 0.0000 0.0000 0.0171 ( 3137 PWs) bands (ev): -39.2769 -39.2769 -39.2474 -39.2474 -18.2941 -18.2941 -18.2020 -18.2020 -17.8167 -17.8167 -17.7557 -17.7557 -17.7162 -17.7162 -17.6625 -17.6625 -1.4972 -1.4972 3.3805 3.3805 6.8592 6.8592 8.0823 8.0823 8.5713 8.5713 9.2396 9.2396 10.3218 10.3218 10.8031 10.8031 11.3672 11.3672 12.0268 12.0268 12.1715 12.1715 k = 0.0000 0.0000 0.0000 ( 3133 PWs) bands (ev): -39.2769 -39.2769 -39.2474 -39.2474 -18.2941 -18.2941 -18.2019 -18.2019 -17.8167 -17.8167 -17.7557 -17.7557 -17.7161 -17.7161 -17.6624 -17.6624 -1.4988 -1.4988 3.3804 3.3804 6.8580 6.8580 8.0824 8.0824 8.6037 8.6037 9.2106 9.2106 10.3225 10.3225 10.8095 10.8095 11.3685 11.3685 12.0261 12.0261 12.1678 12.1678 k = 0.0000 0.0000 0.0000 ( 3133 PWs) bands (ev): -39.2769 -39.2769 -39.2474 -39.2474 -18.2941 -18.2941 -18.2019 -18.2019 -17.8167 -17.8167 -17.7557 -17.7557 -17.7161 -17.7161 -17.6624 -17.6624 -1.4988 -1.4988 3.3804 3.3804 6.8580 6.8580 8.0824 8.0824 8.6037 8.6037 9.2106 9.2106 10.3225 10.3225 10.8095 10.8095 11.3685 11.3685 12.0261 12.0261 12.1678 12.1678 k =-0.0156 0.0062 0.0000 ( 3133 PWs) bands (ev): -39.2769 -39.2769 -39.2474 -39.2474 -18.2941 -18.2941 -18.2020 -18.2020 -17.8166 -17.8166 -17.7557 -17.7557 -17.7162 -17.7162 -17.6625 -17.6625 -1.4980 -1.4980 3.3775 3.3775 6.8615 6.8615 8.0829 8.0829 8.6033 8.6033 9.2113 9.2113 10.3211 10.3211 10.8105 10.8105 11.3692 11.3692 12.0213 12.0213 12.1727 12.1727 k =-0.0312 0.0124 0.0000 ( 3139 PWs) bands (ev): -39.2768 -39.2768 -39.2475 -39.2475 -18.2939 -18.2939 -18.2022 -18.2022 -17.8164 -17.8164 -17.7556 -17.7556 -17.7162 -17.7162 -17.6627 -17.6627 -1.4956 -1.4956 3.3685 3.3685 6.8720 6.8720 8.0843 8.0843 8.6020 8.6020 9.2133 9.2133 10.3169 10.3169 10.8134 10.8134 11.3711 11.3711 12.0087 12.0087 12.1859 12.1859 k =-0.0469 0.0187 0.0000 ( 3133 PWs) bands (ev): -39.2767 -39.2767 -39.2476 -39.2476 -18.2936 -18.2936 -18.2024 -18.2024 -17.8161 -17.8161 -17.7555 -17.7555 -17.7163 -17.7163 -17.6631 -17.6631 -1.4916 -1.4916 3.3539 3.3539 6.8893 6.8893 8.0866 8.0866 8.5998 8.5998 9.2166 9.2166 10.3102 10.3102 10.8184 10.8184 11.3744 11.3744 11.9911 11.9911 12.2043 12.2043 k =-0.0625 0.0249 0.0000 ( 3137 PWs) bands (ev): -39.2766 -39.2766 -39.2477 -39.2477 -18.2933 -18.2933 -18.2028 -18.2028 -17.8157 -17.8157 -17.7554 -17.7554 -17.7165 -17.7165 -17.6636 -17.6636 -1.4860 -1.4860 3.3337 3.3337 6.9131 6.9131 8.0899 8.0899 8.5968 8.5968 9.2210 9.2210 10.3012 10.3012 10.8253 10.8253 11.3790 11.3790 11.9709 11.9709 12.2256 12.2256 k =-0.0781 0.0311 0.0000 ( 3141 PWs) bands (ev): -39.2764 -39.2764 -39.2478 -39.2478 -18.2928 -18.2928 -18.2033 -18.2033 -17.8151 -17.8151 -17.7553 -17.7553 -17.7167 -17.7167 -17.6643 -17.6643 -1.4790 -1.4790 3.3084 3.3084 6.9432 6.9432 8.0940 8.0940 8.5930 8.5930 9.2262 9.2262 10.2904 10.2904 10.8341 10.8341 11.3849 11.3849 11.9494 11.9494 12.2486 12.2486 k =-0.0938 0.0373 0.0000 ( 3145 PWs) bands (ev): -39.2762 -39.2762 -39.2480 -39.2480 -18.2922 -18.2922 -18.2040 -18.2040 -17.8143 -17.8143 -17.7551 -17.7551 -17.7169 -17.7169 -17.6651 -17.6651 -1.4704 -1.4704 3.2782 3.2782 6.9791 6.9791 8.0991 8.0991 8.5885 8.5885 9.2319 9.2319 10.2783 10.2783 10.8448 10.8448 11.3923 11.3923 11.9272 11.9272 12.2725 12.2725 k =-0.1094 0.0436 0.0000 ( 3137 PWs) bands (ev): -39.2760 -39.2760 -39.2483 -39.2483 -18.2915 -18.2915 -18.2047 -18.2047 -17.8135 -17.8135 -17.7549 -17.7549 -17.7172 -17.7172 -17.6661 -17.6661 -1.4604 -1.4604 3.2438 3.2438 7.0205 7.0205 8.1050 8.1050 8.5832 8.5832 9.2378 9.2378 10.2654 10.2654 10.8575 10.8575 11.4012 11.4012 11.9049 11.9049 12.2964 12.2966 k =-0.1250 0.0498 0.0000 ( 3141 PWs) bands (ev): -39.2758 -39.2758 -39.2485 -39.2485 -18.2907 -18.2907 -18.2055 -18.2055 -17.8125 -17.8125 -17.7546 -17.7546 -17.7175 -17.7175 -17.6672 -17.6672 -1.4491 -1.4491 3.2055 3.2055 7.0668 7.0668 8.1115 8.1115 8.5773 8.5773 9.2434 9.2434 10.2522 10.2522 10.8718 10.8718 11.4116 11.4116 11.8826 11.8826 12.2757 12.2757 k =-0.1406 0.0560 0.0000 ( 3141 PWs) bands (ev): -39.2755 -39.2755 -39.2488 -39.2488 -18.2898 -18.2898 -18.2064 -18.2064 -17.8114 -17.8114 -17.7544 -17.7544 -17.7179 -17.7179 -17.6684 -17.6684 -1.4365 -1.4365 3.1639 3.1639 7.1176 7.1176 8.1189 8.1189 8.5708 8.5708 9.2483 9.2483 10.2393 10.2393 10.8880 10.8880 11.4235 11.4235 11.8607 11.8607 12.2315 12.2315 k =-0.1562 0.0622 0.0000 ( 3137 PWs) bands (ev): -39.2751 -39.2751 -39.2491 -39.2491 -18.2888 -18.2888 -18.2075 -18.2075 -17.8101 -17.8101 -17.7541 -17.7541 -17.7182 -17.7182 -17.6698 -17.6698 -1.4227 -1.4227 3.1195 3.1195 7.1723 7.1723 8.1269 8.1269 8.5638 8.5638 9.2521 9.2521 10.2272 10.2272 10.9058 10.9058 11.4370 11.4370 11.8392 11.8392 12.1843 12.1843 k =-0.1719 0.0685 0.0000 ( 3137 PWs) bands (ev): -39.2748 -39.2748 -39.2495 -39.2495 -18.2877 -18.2877 -18.2086 -18.2086 -17.8088 -17.8088 -17.7538 -17.7538 -17.7186 -17.7186 -17.6713 -17.6713 -1.4077 -1.4077 3.0729 3.0729 7.2306 7.2306 8.1356 8.1356 8.5563 8.5563 9.2543 9.2543 10.2160 10.2160 10.9252 10.9252 11.4521 11.4521 11.8182 11.8182 12.1351 12.1351 k =-0.1875 0.0747 0.0000 ( 3133 PWs) bands (ev): -39.2744 -39.2744 -39.2499 -39.2499 -18.2865 -18.2865 -18.2098 -18.2098 -17.8073 -17.8073 -17.7536 -17.7536 -17.7190 -17.7190 -17.6729 -17.6729 -1.3918 -1.3918 3.0243 3.0243 7.2919 7.2919 8.1447 8.1447 8.5484 8.5484 9.2548 9.2548 10.2060 10.2060 10.9462 10.9462 11.4689 11.4689 11.7978 11.7978 12.0848 12.0848 k =-0.2031 0.0809 0.0000 ( 3138 PWs) bands (ev): -39.2740 -39.2740 -39.2503 -39.2503 -18.2852 -18.2852 -18.2112 -18.2112 -17.8058 -17.8058 -17.7533 -17.7533 -17.7194 -17.7194 -17.6746 -17.6746 -1.3750 -1.3750 2.9745 2.9745 7.3557 7.3557 8.1544 8.1544 8.5403 8.5403 9.2533 9.2533 10.1969 10.1969 10.9686 10.9686 11.4872 11.4872 11.7781 11.7781 12.0347 12.0347 k =-0.2188 0.0871 0.0000 ( 3136 PWs) bands (ev): -39.2735 -39.2735 -39.2507 -39.2507 -18.2838 -18.2838 -18.2126 -18.2126 -17.8041 -17.8041 -17.7530 -17.7530 -17.7198 -17.7198 -17.6764 -17.6764 -1.3575 -1.3575 2.9238 2.9238 7.4217 7.4217 8.1644 8.1644 8.5320 8.5320 9.2498 9.2498 10.1882 10.1882 10.9921 10.9921 11.5070 11.5070 11.7591 11.7591 11.9860 11.9860 k =-0.2344 0.0934 0.0000 ( 3138 PWs) bands (ev): -39.2731 -39.2731 -39.2512 -39.2512 -18.2824 -18.2824 -18.2141 -18.2141 -17.8023 -17.8023 -17.7528 -17.7528 -17.7202 -17.7202 -17.6783 -17.6783 -1.3393 -1.3393 2.8728 2.8728 7.4892 7.4892 8.1746 8.1746 8.5235 8.5235 9.2445 9.2445 10.1794 10.1794 11.0169 11.0169 11.5284 11.5284 11.7410 11.7410 11.9401 11.9401 k =-0.2500 0.0996 0.0000 ( 3140 PWs) bands (ev): -39.2726 -39.2726 -39.2517 -39.2517 -18.2808 -18.2808 -18.2157 -18.2157 -17.8005 -17.8005 -17.7526 -17.7526 -17.7206 -17.7206 -17.6803 -17.6803 -1.3207 -1.3207 2.8219 2.8219 7.5580 7.5580 8.1851 8.1851 8.5151 8.5151 9.2376 9.2376 10.1693 10.1693 11.0426 11.0426 11.5512 11.5512 11.7236 11.7236 11.8982 11.8982 k =-0.2656 0.1058 0.0000 ( 3146 PWs) bands (ev): -39.2720 -39.2720 -39.2522 -39.2522 -18.2792 -18.2792 -18.2173 -18.2173 -17.7986 -17.7986 -17.7525 -17.7525 -17.7210 -17.7210 -17.6823 -17.6823 -1.3018 -1.3018 2.7715 2.7715 7.6274 7.6274 8.1956 8.1956 8.5067 8.5067 9.2296 9.2296 10.1570 10.1570 11.0691 11.0691 11.5753 11.5753 11.7071 11.7071 11.8618 11.8618 k =-0.2812 0.1120 0.0000 ( 3140 PWs) bands (ev): -39.2715 -39.2715 -39.2528 -39.2528 -18.2775 -18.2775 -18.2190 -18.2190 -17.7966 -17.7966 -17.7524 -17.7524 -17.7212 -17.7212 -17.6843 -17.6843 -1.2828 -1.2828 2.7221 2.7221 7.6970 7.6970 8.2062 8.2062 8.4985 8.4985 9.2211 9.2211 10.1412 10.1412 11.0962 11.0962 11.6005 11.6005 11.6916 11.6916 11.8319 11.8319 k =-0.2969 0.1182 0.0000 ( 3142 PWs) bands (ev): -39.2709 -39.2709 -39.2534 -39.2534 -18.2758 -18.2758 -18.2209 -18.2209 -17.7945 -17.7945 -17.7524 -17.7524 -17.7214 -17.7214 -17.6865 -17.6865 -1.2639 -1.2639 2.6740 2.6740 7.7664 7.7664 8.2167 8.2167 8.4906 8.4906 9.2127 9.2127 10.1210 10.1210 11.1237 11.1237 11.6265 11.6265 11.6771 11.6771 11.8095 11.8095 k =-0.3125 0.1245 0.0000 ( 3142 PWs) bands (ev): -39.2703 -39.2703 -39.2539 -39.2539 -18.2740 -18.2740 -18.2227 -18.2227 -17.7924 -17.7924 -17.7525 -17.7525 -17.7215 -17.7215 -17.6887 -17.6887 -1.2452 -1.2452 2.6277 2.6277 7.8350 7.8350 8.2269 8.2269 8.4830 8.4830 9.2050 9.2050 10.0953 10.0953 11.1513 11.1513 11.6522 11.6522 11.6647 11.6647 11.7950 11.7950 k =-0.3281 0.1307 0.0000 ( 3146 PWs) bands (ev): -39.2697 -39.2697 -39.2546 -39.2546 -18.2721 -18.2721 -18.2246 -18.2246 -17.7903 -17.7903 -17.7528 -17.7528 -17.7216 -17.7216 -17.6908 -17.6908 -1.2270 -1.2270 2.5835 2.5835 7.9021 7.9021 8.2368 8.2368 8.4759 8.4759 9.1988 9.1988 10.0637 10.0637 11.1787 11.1787 11.6498 11.6498 11.6817 11.6817 11.7887 11.7887 k =-0.3438 0.1369 0.0000 ( 3142 PWs) bands (ev): -39.2691 -39.2691 -39.2552 -39.2552 -18.2701 -18.2701 -18.2266 -18.2266 -17.7881 -17.7881 -17.7532 -17.7532 -17.7214 -17.7214 -17.6930 -17.6930 -1.2094 -1.2094 2.5417 2.5417 7.9671 7.9671 8.2462 8.2462 8.4694 8.4694 9.1949 9.1949 10.0262 10.0262 11.2056 11.2056 11.6385 11.6385 11.7089 11.7089 11.7901 11.7901 k =-0.3594 0.1431 0.0000 ( 3142 PWs) bands (ev): -39.2685 -39.2685 -39.2558 -39.2558 -18.2681 -18.2681 -18.2286 -18.2286 -17.7858 -17.7858 -17.7537 -17.7537 -17.7212 -17.7212 -17.6952 -17.6952 -1.1928 -1.1928 2.5028 2.5028 8.0291 8.0291 8.2551 8.2551 8.4636 8.4636 9.1942 9.1942 9.9829 9.9829 11.2317 11.2317 11.6279 11.6279 11.7361 11.7361 11.7983 11.7983 k =-0.3750 0.1494 0.0000 ( 3152 PWs) bands (ev): -39.2678 -39.2678 -39.2565 -39.2565 -18.2661 -18.2661 -18.2307 -18.2307 -17.7836 -17.7836 -17.7544 -17.7544 -17.7208 -17.7208 -17.6974 -17.6974 -1.1772 -1.1772 2.4669 2.4669 8.0873 8.0873 8.2634 8.2634 8.4586 8.4586 9.1973 9.1973 9.9343 9.9343 11.2565 11.2565 11.6184 11.6184 11.7626 11.7626 11.8122 11.8122 k =-0.3906 0.1556 0.0000 ( 3150 PWs) bands (ev): -39.2671 -39.2671 -39.2572 -39.2572 -18.2640 -18.2640 -18.2328 -18.2328 -17.7814 -17.7814 -17.7552 -17.7552 -17.7203 -17.7203 -17.6995 -17.6995 -1.1628 -1.1628 2.4345 2.4345 8.1407 8.1407 8.2709 8.2709 8.4545 8.4545 9.2051 9.2051 9.8814 9.8814 11.2799 11.2799 11.6100 11.6100 11.7881 11.7881 11.8301 11.8301 k =-0.4062 0.1618 0.0000 ( 3152 PWs) bands (ev): -39.2665 -39.2665 -39.2578 -39.2578 -18.2619 -18.2619 -18.2350 -18.2350 -17.7791 -17.7791 -17.7562 -17.7562 -17.7196 -17.7196 -17.7016 -17.7016 -1.1500 -1.1500 2.4058 2.4058 8.1883 8.1883 8.2777 8.2777 8.4515 8.4515 9.2182 9.2182 9.8253 9.8253 11.3012 11.3012 11.6027 11.6027 11.8118 11.8118 11.8505 11.8505 k =-0.4219 0.1680 0.0000 ( 3152 PWs) bands (ev): -39.2658 -39.2658 -39.2585 -39.2585 -18.2598 -18.2598 -18.2371 -18.2371 -17.7769 -17.7769 -17.7574 -17.7574 -17.7188 -17.7188 -17.7036 -17.7036 -1.1388 -1.1388 2.3811 2.3811 8.2291 8.2291 8.2836 8.2836 8.4498 8.4498 9.2370 9.2370 9.7671 9.7671 11.3201 11.3201 11.5964 11.5964 11.8333 11.8333 11.8714 11.8714 k =-0.4375 0.1743 0.0000 ( 3150 PWs) bands (ev): -39.2651 -39.2651 -39.2592 -39.2592 -18.2577 -18.2577 -18.2393 -18.2393 -17.7748 -17.7748 -17.7586 -17.7586 -17.7179 -17.7179 -17.7055 -17.7055 -1.1293 -1.1293 2.3605 2.3605 8.2624 8.2624 8.2885 8.2885 8.4493 8.4493 9.2615 9.2615 9.7085 9.7085 11.3363 11.3363 11.5913 11.5913 11.8519 11.8519 11.8914 11.8914 k =-0.4531 0.1805 0.0000 ( 3146 PWs) bands (ev): -39.2644 -39.2644 -39.2599 -39.2599 -18.2555 -18.2555 -18.2414 -18.2414 -17.7728 -17.7728 -17.7600 -17.7600 -17.7168 -17.7168 -17.7074 -17.7074 -1.1219 -1.1219 2.3443 2.3443 8.2877 8.2877 8.2924 8.2924 8.4499 8.4499 9.2910 9.2910 9.6513 9.6513 11.3493 11.3493 11.5873 11.5873 11.8671 11.8671 11.9087 11.9087 k =-0.4688 0.1867 0.0000 ( 3148 PWs) bands (ev): -39.2637 -39.2637 -39.2606 -39.2606 -18.2534 -18.2534 -18.2435 -18.2435 -17.7709 -17.7709 -17.7613 -17.7613 -17.7156 -17.7156 -17.7092 -17.7092 -1.1164 -1.1164 2.3327 2.3327 8.2951 8.2951 8.3053 8.3053 8.4511 8.4511 9.3234 9.3234 9.5986 9.5986 11.3588 11.3588 11.5845 11.5845 11.8784 11.8784 11.9221 11.9221 k =-0.4844 0.1929 0.0000 ( 3142 PWs) bands (ev): -39.2630 -39.2630 -39.2612 -39.2612 -18.2514 -18.2514 -18.2455 -18.2455 -17.7694 -17.7694 -17.7625 -17.7625 -17.7143 -17.7143 -17.7108 -17.7108 -1.1131 -1.1131 2.3256 2.3256 8.2968 8.2968 8.3154 8.3154 8.4523 8.4523 9.3528 9.3528 9.5568 9.5568 11.3647 11.3647 11.5828 11.5828 11.8853 11.8853 11.9305 11.9305 k =-0.5000 0.1992 0.0000 ( 3142 PWs) bands (ev): -39.2627 -39.2627 -39.2616 -39.2616 -18.2504 -18.2504 -18.2465 -18.2465 -17.7688 -17.7688 -17.7630 -17.7630 -17.7134 -17.7134 -17.7118 -17.7118 -1.1120 -1.1120 2.3233 2.3233 8.2974 8.2974 8.3187 8.3187 8.4528 8.4528 9.3662 9.3662 9.5392 9.5392 11.3666 11.3666 11.5822 11.5822 11.8877 11.8877 11.9334 11.9334 k =-0.5000 0.1992 0.0000 ( 3142 PWs) bands (ev): -39.2627 -39.2627 -39.2616 -39.2616 -18.2504 -18.2504 -18.2465 -18.2465 -17.7688 -17.7688 -17.7630 -17.7630 -17.7134 -17.7134 -17.7118 -17.7118 -1.1120 -1.1120 2.3233 2.3233 8.2974 8.2974 8.3187 8.3187 8.4528 8.4528 9.3662 9.3662 9.5392 9.5392 11.3666 11.3666 11.5822 11.5822 11.8877 11.8877 11.9334 11.9334 k =-0.4936 0.2152-0.0000 ( 3142 PWs) bands (ev): -39.2627 -39.2627 -39.2616 -39.2616 -18.2505 -18.2505 -18.2465 -18.2465 -17.7689 -17.7689 -17.7630 -17.7630 -17.7136 -17.7136 -17.7116 -17.7116 -1.1113 -1.1113 2.3247 2.3247 8.2764 8.2764 8.3255 8.3255 8.4526 8.4526 9.3761 9.3761 9.5401 9.5401 11.3673 11.3673 11.5835 11.5835 11.8825 11.8825 11.9331 11.9331 k =-0.4873 0.2312-0.0000 ( 3150 PWs) bands (ev): -39.2627 -39.2627 -39.2616 -39.2616 -18.2506 -18.2506 -18.2466 -18.2466 -17.7692 -17.7692 -17.7629 -17.7629 -17.7140 -17.7140 -17.7112 -17.7112 -1.1090 -1.1090 2.3288 2.3288 8.2304 8.2304 8.3306 8.3306 8.4516 8.4516 9.4043 9.4043 9.5429 9.5429 11.3694 11.3694 11.5876 11.5876 11.8673 11.8673 11.9322 11.9322 k =-0.4809 0.2472-0.0000 ( 3148 PWs) bands (ev): -39.2627 -39.2627 -39.2615 -39.2615 -18.2507 -18.2507 -18.2466 -18.2466 -17.7696 -17.7696 -17.7628 -17.7628 -17.7144 -17.7144 -17.7107 -17.7107 -1.1051 -1.1051 2.3358 2.3358 8.1659 8.1659 8.3322 8.3322 8.4493 8.4493 9.4473 9.4473 9.5476 9.5476 11.3729 11.3729 11.5943 11.5943 11.8427 11.8427 11.9308 11.9308 k =-0.4745 0.2632-0.0000 ( 3152 PWs) bands (ev): -39.2627 -39.2627 -39.2615 -39.2615 -18.2509 -18.2509 -18.2468 -18.2468 -17.7701 -17.7701 -17.7627 -17.7627 -17.7149 -17.7149 -17.7101 -17.7101 -1.0997 -1.0997 2.3455 2.3455 8.0860 8.0860 8.3313 8.3313 8.4454 8.4454 9.5002 9.5002 9.5544 9.5544 11.3779 11.3779 11.6035 11.6035 11.8098 11.8098 11.9285 11.9285 k =-0.4681 0.2792-0.0000 ( 3148 PWs) bands (ev): -39.2628 -39.2628 -39.2614 -39.2614 -18.2511 -18.2511 -18.2469 -18.2469 -17.7707 -17.7707 -17.7626 -17.7626 -17.7154 -17.7154 -17.7095 -17.7095 -1.0929 -1.0929 2.3580 2.3580 7.9942 7.9942 8.3288 8.3288 8.4402 8.4402 9.5512 9.5512 9.5712 9.5712 11.3844 11.3844 11.6150 11.6150 11.7701 11.7701 11.9248 11.9248 k =-0.4618 0.2952-0.0000 ( 3148 PWs) bands (ev): -39.2628 -39.2628 -39.2613 -39.2613 -18.2514 -18.2514 -18.2471 -18.2471 -17.7714 -17.7714 -17.7626 -17.7626 -17.7159 -17.7159 -17.7089 -17.7089 -1.0846 -1.0846 2.3732 2.3732 7.8933 7.8933 8.3247 8.3247 8.4342 8.4342 9.5666 9.5666 9.6284 9.6284 11.3925 11.3925 11.6286 11.6286 11.7248 11.7248 11.9161 11.9162 k =-0.4554 0.3112-0.0000 ( 3132 PWs) bands (ev): -39.2628 -39.2628 -39.2612 -39.2612 -18.2516 -18.2516 -18.2472 -18.2472 -17.7721 -17.7721 -17.7625 -17.7625 -17.7163 -17.7163 -17.7082 -17.7082 -1.0748 -1.0748 2.3911 2.3911 7.7857 7.7857 8.3188 8.3188 8.4277 8.4277 9.5765 9.5765 9.6934 9.6934 11.4022 11.4022 11.6438 11.6438 11.6755 11.6755 11.8625 11.8625 k =-0.4490 0.3272-0.0000 ( 3134 PWs) bands (ev): -39.2629 -39.2629 -39.2611 -39.2611 -18.2520 -18.2520 -18.2474 -18.2474 -17.7730 -17.7730 -17.7626 -17.7626 -17.7169 -17.7169 -17.7075 -17.7075 -1.0637 -1.0637 2.4117 2.4117 7.6729 7.6729 8.3110 8.3110 8.4211 8.4211 9.5861 9.5861 9.7589 9.7589 11.4135 11.4135 11.6213 11.6213 11.6620 11.6620 11.7361 11.7361 k =-0.4426 0.3432-0.0000 ( 3134 PWs) bands (ev): -39.2629 -39.2629 -39.2610 -39.2610 -18.2525 -18.2525 -18.2476 -18.2476 -17.7738 -17.7738 -17.7627 -17.7627 -17.7174 -17.7174 -17.7068 -17.7068 -1.0513 -1.0513 2.4350 2.4350 7.5564 7.5564 8.3012 8.3012 8.4148 8.4148 9.5952 9.5952 9.8235 9.8235 11.4262 11.4262 11.5664 11.5664 11.6007 11.6007 11.6810 11.6810 k =-0.4363 0.3592-0.0000 ( 3134 PWs) bands (ev): -39.2630 -39.2630 -39.2608 -39.2608 -18.2530 -18.2530 -18.2479 -18.2479 -17.7747 -17.7747 -17.7628 -17.7628 -17.7178 -17.7178 -17.7061 -17.7061 -1.0376 -1.0376 2.4608 2.4608 7.4372 7.4372 8.2893 8.2893 8.4089 8.4089 9.6030 9.6030 9.8865 9.8865 11.4385 11.4385 11.4669 11.4669 11.5133 11.5133 11.7002 11.7002 k =-0.4299 0.3752-0.0000 ( 3130 PWs) bands (ev): -39.2631 -39.2631 -39.2606 -39.2606 -18.2535 -18.2535 -18.2481 -18.2481 -17.7756 -17.7756 -17.7631 -17.7631 -17.7183 -17.7183 -17.7054 -17.7054 -1.0227 -1.0227 2.4892 2.4892 7.3163 7.3163 8.2754 8.2754 8.4035 8.4035 9.6085 9.6085 9.9475 9.9475 11.3387 11.3387 11.4337 11.4337 11.4774 11.4774 11.7203 11.7203 k =-0.4235 0.3912-0.0000 ( 3132 PWs) bands (ev): -39.2631 -39.2631 -39.2605 -39.2605 -18.2541 -18.2541 -18.2483 -18.2483 -17.7765 -17.7765 -17.7634 -17.7634 -17.7188 -17.7188 -17.7046 -17.7046 -1.0066 -1.0066 2.5201 2.5201 7.1944 7.1944 8.2597 8.2597 8.3986 8.3986 9.6101 9.6101 10.0062 10.0062 11.2175 11.2175 11.3851 11.3851 11.4868 11.4868 11.7406 11.7406 k =-0.4171 0.4072-0.0000 ( 3126 PWs) bands (ev): -39.2632 -39.2632 -39.2603 -39.2603 -18.2548 -18.2548 -18.2486 -18.2486 -17.7774 -17.7774 -17.7638 -17.7638 -17.7192 -17.7192 -17.7038 -17.7038 -0.9896 -0.9896 2.5534 2.5534 7.0720 7.0720 8.2426 8.2426 8.3940 8.3940 9.6062 9.6062 10.0627 10.0627 11.1056 11.1056 11.3282 11.3282 11.5067 11.5067 11.7608 11.7608 k =-0.4108 0.4232-0.0000 ( 3132 PWs) bands (ev): -39.2633 -39.2633 -39.2601 -39.2601 -18.2555 -18.2555 -18.2488 -18.2488 -17.7784 -17.7784 -17.7643 -17.7643 -17.7197 -17.7197 -17.7030 -17.7030 -0.9716 -0.9716 2.5891 2.5891 6.9498 6.9498 8.2242 8.2242 8.3894 8.3894 9.5946 9.5946 10.1168 10.1168 11.0052 11.0052 11.2706 11.2706 11.5299 11.5299 11.7803 11.7803 k =-0.4044 0.4392-0.0000 ( 3140 PWs) bands (ev): -39.2634 -39.2634 -39.2599 -39.2599 -18.2562 -18.2562 -18.2491 -18.2491 -17.7793 -17.7793 -17.7648 -17.7648 -17.7201 -17.7201 -17.7022 -17.7022 -0.9528 -0.9528 2.6271 2.6271 6.8282 6.8282 8.2050 8.2050 8.3849 8.3849 9.5732 9.5732 10.1689 10.1689 10.9189 10.9189 11.2134 11.2134 11.5555 11.5555 11.7988 11.7988 k =-0.3980 0.4552-0.0000 ( 3142 PWs) bands (ev): -39.2635 -39.2635 -39.2596 -39.2596 -18.2570 -18.2570 -18.2493 -18.2493 -17.7803 -17.7803 -17.7654 -17.7654 -17.7206 -17.7206 -17.7014 -17.7014 -0.9332 -0.9332 2.6674 2.6674 6.7077 6.7077 8.1851 8.1851 8.3801 8.3801 9.5400 9.5400 10.2189 10.2189 10.8490 10.8490 11.1571 11.1571 11.5832 11.5832 11.8158 11.8158 k =-0.3916 0.4712-0.0000 ( 3140 PWs) bands (ev): -39.2636 -39.2636 -39.2594 -39.2594 -18.2578 -18.2578 -18.2495 -18.2495 -17.7812 -17.7812 -17.7660 -17.7660 -17.7210 -17.7210 -17.7005 -17.7005 -0.9130 -0.9130 2.7098 2.7098 6.5887 6.5887 8.1649 8.1649 8.3750 8.3750 9.4936 9.4936 10.2673 10.2673 10.7971 10.7971 11.1022 11.1022 11.6129 11.6129 11.8309 11.8309 k =-0.3853 0.4872-0.0000 ( 3140 PWs) bands (ev): -39.2637 -39.2637 -39.2592 -39.2592 -18.2587 -18.2587 -18.2497 -18.2497 -17.7821 -17.7821 -17.7667 -17.7667 -17.7215 -17.7215 -17.6996 -17.6996 -0.8924 -0.8924 2.7542 2.7542 6.4716 6.4716 8.1445 8.1445 8.3696 8.3696 9.4338 9.4338 10.3141 10.3141 10.7634 10.7634 11.0488 11.0488 11.6443 11.6443 11.8430 11.8431 k =-0.3789 0.5032-0.0000 ( 3148 PWs) bands (ev): -39.2639 -39.2639 -39.2589 -39.2589 -18.2596 -18.2596 -18.2499 -18.2499 -17.7830 -17.7830 -17.7674 -17.7674 -17.7219 -17.7219 -17.6987 -17.6987 -0.8714 -0.8714 2.8005 2.8005 6.3566 6.3566 8.1241 8.1241 8.3635 8.3635 9.3615 9.3615 10.3596 10.3596 10.7473 10.7473 10.9971 10.9971 11.6773 11.6773 11.8446 11.8455 k =-0.3725 0.5192-0.0000 ( 3148 PWs) bands (ev): -39.2640 -39.2640 -39.2587 -39.2587 -18.2605 -18.2605 -18.2501 -18.2501 -17.7839 -17.7839 -17.7682 -17.7682 -17.7224 -17.7224 -17.6978 -17.6978 -0.8501 -0.8501 2.8487 2.8487 6.2443 6.2443 8.1039 8.1039 8.3570 8.3570 9.2785 9.2785 10.4042 10.4042 10.7470 10.7470 10.9473 10.9473 11.7115 11.7115 11.8361 11.8364 k =-0.3661 0.5352-0.0000 ( 3150 PWs) bands (ev): -39.2641 -39.2641 -39.2584 -39.2584 -18.2615 -18.2615 -18.2503 -18.2503 -17.7848 -17.7848 -17.7689 -17.7689 -17.7228 -17.7228 -17.6968 -17.6968 -0.8289 -0.8289 2.8986 2.8986 6.1348 6.1348 8.0841 8.0841 8.3498 8.3498 9.1871 9.1871 10.4480 10.4480 10.7602 10.7602 10.8998 10.8998 11.7466 11.7466 11.8264 11.8264 k =-0.3598 0.5512-0.0000 ( 3154 PWs) bands (ev): -39.2643 -39.2643 -39.2581 -39.2581 -18.2625 -18.2625 -18.2504 -18.2504 -17.7857 -17.7857 -17.7697 -17.7697 -17.7232 -17.7232 -17.6959 -17.6959 -0.8077 -0.8077 2.9501 2.9501 6.0285 6.0285 8.0649 8.0649 8.3419 8.3419 9.0895 9.0895 10.4913 10.4913 10.7839 10.7839 10.8557 10.8557 11.7806 11.7806 11.8181 11.8181 k =-0.3534 0.5672-0.0000 ( 3158 PWs) bands (ev): -39.2644 -39.2644 -39.2578 -39.2578 -18.2635 -18.2635 -18.2505 -18.2505 -17.7866 -17.7866 -17.7704 -17.7704 -17.7237 -17.7237 -17.6949 -17.6949 -0.7869 -0.7869 3.0029 3.0029 5.9257 5.9257 8.0463 8.0463 8.3333 8.3333 8.9878 8.9878 10.5344 10.5344 10.7983 10.7983 10.8328 10.8328 11.7960 11.7960 11.8288 11.8288 k =-0.3470 0.5832-0.0000 ( 3154 PWs) bands (ev): -39.2646 -39.2646 -39.2575 -39.2575 -18.2645 -18.2645 -18.2505 -18.2505 -17.7875 -17.7875 -17.7711 -17.7711 -17.7241 -17.7241 -17.6939 -17.6939 -0.7664 -0.7664 3.0570 3.0570 5.8267 5.8267 8.0285 8.0285 8.3241 8.3241 8.8838 8.8838 10.5773 10.5773 10.7646 10.7646 10.8684 10.8684 11.7880 11.7880 11.8625 11.8627 k =-0.3407 0.5992-0.0000 ( 3150 PWs) bands (ev): -39.2648 -39.2648 -39.2573 -39.2573 -18.2655 -18.2655 -18.2504 -18.2504 -17.7884 -17.7884 -17.7718 -17.7718 -17.7246 -17.7246 -17.6929 -17.6929 -0.7466 -0.7466 3.1121 3.1121 5.7318 5.7318 8.0115 8.0115 8.3142 8.3142 8.7790 8.7790 10.6201 10.6201 10.7270 10.7270 10.9172 10.9172 11.7769 11.7769 11.8615 11.8615 k =-0.3343 0.6152-0.0000 ( 3138 PWs) bands (ev): -39.2650 -39.2650 -39.2570 -39.2570 -18.2665 -18.2665 -18.2503 -18.2503 -17.7892 -17.7892 -17.7723 -17.7723 -17.7250 -17.7250 -17.6919 -17.6919 -0.7276 -0.7276 3.1681 3.1681 5.6413 5.6413 7.9956 7.9956 8.3036 8.3036 8.6746 8.6746 10.6621 10.6621 10.6922 10.6922 10.9725 10.9725 11.7651 11.7651 11.8520 11.8520 k =-0.3279 0.6312-0.0000 ( 3138 PWs) bands (ev): -39.2651 -39.2651 -39.2567 -39.2567 -18.2676 -18.2676 -18.2502 -18.2502 -17.7901 -17.7901 -17.7729 -17.7729 -17.7255 -17.7255 -17.6909 -17.6909 -0.7097 -0.7097 3.2247 3.2247 5.5553 5.5553 7.9805 7.9805 8.2921 8.2921 8.5717 8.5717 10.6556 10.6556 10.7084 10.7084 11.0326 11.0326 11.7529 11.7529 11.8396 11.8396 k =-0.3215 0.6472-0.0000 ( 3134 PWs) bands (ev): -39.2653 -39.2653 -39.2564 -39.2564 -18.2686 -18.2686 -18.2500 -18.2500 -17.7910 -17.7910 -17.7734 -17.7734 -17.7260 -17.7260 -17.6898 -17.6898 -0.6929 -0.6929 3.2817 3.2817 5.4743 5.4743 7.9666 7.9666 8.2795 8.2795 8.4716 8.4716 10.6248 10.6248 10.7519 10.7519 11.0969 11.0969 11.7405 11.7405 11.8245 11.8245 k =-0.3152 0.6632-0.0000 ( 3146 PWs) bands (ev): -39.2656 -39.2656 -39.2560 -39.2560 -18.2697 -18.2697 -18.2498 -18.2498 -17.7919 -17.7919 -17.7739 -17.7739 -17.7265 -17.7265 -17.6889 -17.6889 -0.6776 -0.6776 3.3387 3.3387 5.3984 5.3984 7.9535 7.9535 8.2647 8.2647 8.3761 8.3761 10.5961 10.5961 10.7962 10.7962 11.1645 11.1645 11.7277 11.7277 11.8069 11.8069 k =-0.3088 0.6792-0.0000 ( 3136 PWs) bands (ev): -39.2658 -39.2658 -39.2557 -39.2557 -18.2707 -18.2707 -18.2495 -18.2495 -17.7928 -17.7928 -17.7742 -17.7742 -17.7269 -17.7269 -17.6878 -17.6878 -0.6637 -0.6637 3.3956 3.3956 5.3278 5.3278 7.9415 7.9415 8.2399 8.2399 8.2942 8.2942 10.5700 10.5700 10.8411 10.8411 11.2349 11.2349 11.7147 11.7147 11.7871 11.7871 k =-0.3024 0.6952-0.0000 ( 3137 PWs) bands (ev): -39.2660 -39.2660 -39.2554 -39.2554 -18.2718 -18.2718 -18.2492 -18.2492 -17.7937 -17.7937 -17.7745 -17.7745 -17.7274 -17.7274 -17.6868 -17.6868 -0.6517 -0.6517 3.4520 3.4520 5.2629 5.2629 7.9299 7.9299 8.1762 8.1762 8.2555 8.2555 10.5466 10.5466 10.8865 10.8865 11.3075 11.3075 11.7012 11.7012 11.7651 11.7651 k =-0.2960 0.7112-0.0000 ( 3137 PWs) bands (ev): -39.2662 -39.2662 -39.2551 -39.2551 -18.2728 -18.2728 -18.2488 -18.2488 -17.7947 -17.7947 -17.7746 -17.7746 -17.7279 -17.7279 -17.6858 -17.6858 -0.6416 -0.6416 3.5075 3.5075 5.2038 5.2038 7.9181 7.9181 8.0976 8.0976 8.2377 8.2377 10.5258 10.5258 10.9324 10.9324 11.3815 11.3815 11.6873 11.6873 11.7413 11.7413 k =-0.2897 0.7272-0.0000 ( 3137 PWs) bands (ev): -39.2665 -39.2665 -39.2548 -39.2548 -18.2738 -18.2738 -18.2483 -18.2483 -17.7956 -17.7956 -17.7747 -17.7747 -17.7284 -17.7284 -17.6848 -17.6848 -0.6335 -0.6335 3.5618 3.5618 5.1507 5.1507 7.9031 7.9031 8.0254 8.0254 8.2228 8.2228 10.5078 10.5078 10.9786 10.9786 11.4564 11.4564 11.6727 11.6727 11.7159 11.7159 k =-0.2897 0.7272-0.0000 ( 3137 PWs) bands (ev): -39.2665 -39.2665 -39.2548 -39.2548 -18.2738 -18.2738 -18.2483 -18.2483 -17.7956 -17.7956 -17.7747 -17.7747 -17.7284 -17.7284 -17.6848 -17.6848 -0.6335 -0.6335 3.5618 3.5618 5.1507 5.1507 7.9031 7.9031 8.0254 8.0254 8.2228 8.2228 10.5078 10.5078 10.9786 10.9786 11.4564 11.4564 11.6727 11.6727 11.7159 11.7159 k =-0.2897 0.7272 0.0171 ( 3137 PWs) bands (ev): -39.2665 -39.2665 -39.2548 -39.2548 -18.2738 -18.2738 -18.2483 -18.2483 -17.7956 -17.7956 -17.7747 -17.7747 -17.7285 -17.7285 -17.6848 -17.6848 -0.6323 -0.6323 3.5615 3.5615 5.1522 5.1522 7.8896 7.8896 8.0323 8.0323 8.2225 8.2225 10.5009 10.5009 10.9845 10.9845 11.4585 11.4585 11.6456 11.6456 11.7457 11.7457 k =-0.2897 0.7272 0.0343 ( 3139 PWs) bands (ev): -39.2664 -39.2664 -39.2548 -39.2548 -18.2738 -18.2738 -18.2484 -18.2484 -17.7958 -17.7958 -17.7746 -17.7746 -17.7285 -17.7285 -17.6850 -17.6850 -0.6286 -0.6286 3.5605 3.5605 5.1567 5.1567 7.8550 7.8550 8.0475 8.0475 8.2217 8.2217 10.4810 10.4810 11.0010 11.0010 11.4618 11.4618 11.6116 11.6116 11.7909 11.7909 k =-0.2897 0.7272 0.0514 ( 3138 PWs) bands (ev): -39.2664 -39.2664 -39.2548 -39.2548 -18.2738 -18.2738 -18.2485 -18.2485 -17.7960 -17.7960 -17.7746 -17.7746 -17.7286 -17.7286 -17.6852 -17.6852 -0.6224 -0.6224 3.5587 3.5587 5.1641 5.1641 7.8068 7.8068 8.0642 8.0642 8.2205 8.2205 10.4507 10.4507 11.0257 11.0257 11.4555 11.4555 11.5943 11.5943 11.8377 11.8377 k =-0.2897 0.7272 0.0685 ( 3130 PWs) bands (ev): -39.2663 -39.2663 -39.2548 -39.2548 -18.2738 -18.2738 -18.2487 -18.2487 -17.7963 -17.7963 -17.7745 -17.7745 -17.7287 -17.7287 -17.6855 -17.6855 -0.6138 -0.6138 3.5561 3.5561 5.1745 5.1745 7.7484 7.7484 8.0796 8.0796 8.2187 8.2187 10.4129 10.4129 11.0559 11.0559 11.4297 11.4297 11.6042 11.6042 11.8848 11.8848 k =-0.2897 0.7272 0.0857 ( 3132 PWs) bands (ev): -39.2662 -39.2662 -39.2548 -39.2548 -18.2739 -18.2739 -18.2489 -18.2489 -17.7967 -17.7967 -17.7744 -17.7744 -17.7290 -17.7290 -17.6858 -17.6858 -0.6027 -0.6027 3.5526 3.5526 5.1878 5.1878 7.6816 7.6816 8.0931 8.0931 8.2164 8.2164 10.3698 10.3698 11.0891 11.0891 11.3896 11.3896 11.6354 11.6354 11.9315 11.9315 k =-0.2897 0.7272 0.1028 ( 3129 PWs) bands (ev): -39.2661 -39.2661 -39.2548 -39.2548 -18.2739 -18.2739 -18.2491 -18.2491 -17.7971 -17.7971 -17.7743 -17.7743 -17.7292 -17.7292 -17.6863 -17.6863 -0.5892 -0.5892 3.5481 3.5481 5.2041 5.2041 7.6077 7.6077 8.1048 8.1048 8.2136 8.2136 10.3233 10.3233 11.1239 11.1239 11.3431 11.3431 11.6789 11.6789 11.9778 11.9778 k =-0.2897 0.7272 0.1199 ( 3131 PWs) bands (ev): -39.2660 -39.2660 -39.2548 -39.2548 -18.2739 -18.2739 -18.2494 -18.2494 -17.7976 -17.7976 -17.7741 -17.7741 -17.7295 -17.7295 -17.6868 -17.6868 -0.5731 -0.5731 3.5423 3.5423 5.2233 5.2233 7.5279 7.5279 8.1147 8.1147 8.2103 8.2103 10.2747 10.2747 11.1586 11.1586 11.2940 11.2940 11.7298 11.7298 12.0237 12.0237 k =-0.2897 0.7272 0.1371 ( 3128 PWs) bands (ev): -39.2659 -39.2659 -39.2548 -39.2548 -18.2740 -18.2740 -18.2497 -18.2497 -17.7982 -17.7982 -17.7740 -17.7740 -17.7298 -17.7298 -17.6873 -17.6873 -0.5547 -0.5547 3.5352 3.5352 5.2453 5.2453 7.4435 7.4435 8.1228 8.1228 8.2066 8.2066 10.2250 10.2250 11.1914 11.1914 11.2450 11.2450 11.7853 11.7853 12.0690 12.0691 k =-0.2897 0.7272 0.1542 ( 3124 PWs) bands (ev): -39.2658 -39.2658 -39.2548 -39.2548 -18.2740 -18.2740 -18.2501 -18.2501 -17.7988 -17.7988 -17.7739 -17.7739 -17.7301 -17.7301 -17.6880 -17.6880 -0.5338 -0.5338 3.5264 3.5264 5.2701 5.2701 7.3556 7.3556 8.1287 8.1287 8.2029 8.2029 10.1751 10.1751 11.1865 11.1865 11.2318 11.2318 11.8435 11.8435 12.1140 12.1140 k =-0.2897 0.7272 0.1713 ( 3122 PWs) bands (ev): -39.2656 -39.2656 -39.2548 -39.2548 -18.2741 -18.2741 -18.2505 -18.2505 -17.7994 -17.7994 -17.7738 -17.7738 -17.7304 -17.7304 -17.6887 -17.6887 -0.5104 -0.5104 3.5157 3.5157 5.2977 5.2977 7.2654 7.2654 8.1320 8.1320 8.1996 8.1996 10.1254 10.1254 11.1370 11.1370 11.2615 11.2615 11.9030 11.9030 12.1585 12.1585 k =-0.2897 0.7272 0.1885 ( 3122 PWs) bands (ev): -39.2654 -39.2654 -39.2548 -39.2548 -18.2742 -18.2742 -18.2509 -18.2509 -17.8001 -17.8001 -17.7737 -17.7737 -17.7308 -17.7308 -17.6894 -17.6894 -0.4846 -0.4846 3.5029 3.5029 5.3280 5.3280 7.1742 7.1742 8.1316 8.1316 8.1973 8.1973 10.0768 10.0768 11.0856 11.0856 11.2914 11.2914 11.9626 11.9626 12.2028 12.2028 k =-0.2897 0.7272 0.2056 ( 3132 PWs) bands (ev): -39.2652 -39.2652 -39.2547 -39.2547 -18.2743 -18.2743 -18.2515 -18.2515 -17.8008 -17.8008 -17.7737 -17.7737 -17.7312 -17.7312 -17.6903 -17.6903 -0.4564 -0.4564 3.4875 3.4875 5.3609 5.3609 7.0831 7.0831 8.1270 8.1270 8.1967 8.1967 10.0296 10.0296 11.0340 11.0340 11.3199 11.3199 12.0214 12.0214 12.2469 12.2472 k =-0.2897 0.7272 0.2227 ( 3130 PWs) bands (ev): -39.2650 -39.2650 -39.2547 -39.2547 -18.2743 -18.2743 -18.2520 -18.2520 -17.8016 -17.8016 -17.7737 -17.7737 -17.7316 -17.7316 -17.6911 -17.6911 -0.4257 -0.4257 3.4694 3.4694 5.3965 5.3965 6.9931 6.9931 8.1179 8.1179 8.1974 8.1974 9.9844 9.9844 10.9827 10.9827 11.3467 11.3467 12.0789 12.0789 12.2917 12.2927 k =-0.2897 0.7272 0.2399 ( 3129 PWs) bands (ev): -39.2648 -39.2648 -39.2547 -39.2547 -18.2744 -18.2744 -18.2525 -18.2525 -17.8023 -17.8023 -17.7737 -17.7737 -17.7320 -17.7320 -17.6920 -17.6920 -0.3926 -0.3926 3.4482 3.4482 5.4346 5.4346 6.9053 6.9053 8.1048 8.1048 8.1990 8.1990 9.9414 9.9414 10.9320 10.9320 11.3719 11.3719 12.1346 12.1346 12.3242 12.3243 k =-0.2897 0.7272 0.2570 ( 3135 PWs) bands (ev): -39.2646 -39.2646 -39.2547 -39.2547 -18.2745 -18.2745 -18.2531 -18.2531 -17.8031 -17.8031 -17.7738 -17.7738 -17.7325 -17.7325 -17.6929 -17.6929 -0.3572 -0.3572 3.4236 3.4236 5.4752 5.4752 6.8205 6.8205 8.0878 8.0878 8.2006 8.2006 9.9012 9.9012 10.8818 10.8818 11.3955 11.3955 12.1883 12.1883 12.3501 12.3501 k =-0.2897 0.7272 0.2741 ( 3139 PWs) bands (ev): -39.2643 -39.2643 -39.2547 -39.2547 -18.2746 -18.2746 -18.2538 -18.2538 -17.8038 -17.8038 -17.7739 -17.7739 -17.7329 -17.7329 -17.6939 -17.6939 -0.3193 -0.3193 3.3952 3.3952 5.5181 5.5181 6.7396 6.7396 8.0673 8.0673 8.2017 8.2017 9.8640 9.8640 10.8324 10.8324 11.4177 11.4177 12.2399 12.2399 12.3772 12.3772 k =-0.2897 0.7272 0.2913 ( 3137 PWs) bands (ev): -39.2641 -39.2641 -39.2547 -39.2547 -18.2747 -18.2747 -18.2544 -18.2544 -17.8046 -17.8046 -17.7741 -17.7741 -17.7333 -17.7333 -17.6948 -17.6948 -0.2790 -0.2790 3.3627 3.3627 5.5634 5.5634 6.6633 6.6633 8.0435 8.0435 8.2018 8.2018 9.8301 9.8301 10.7839 10.7839 11.4389 11.4389 12.2897 12.2897 12.4060 12.4060 k =-0.2897 0.7272 0.3084 ( 3142 PWs) bands (ev): -39.2638 -39.2638 -39.2547 -39.2547 -18.2748 -18.2748 -18.2551 -18.2551 -17.8053 -17.8053 -17.7742 -17.7742 -17.7337 -17.7337 -17.6958 -17.6958 -0.2364 -0.2364 3.3259 3.3259 5.6107 5.6107 6.5923 6.5923 8.0164 8.0164 8.2005 8.2005 9.7997 9.7997 10.7364 10.7364 11.4591 11.4591 12.3379 12.3379 12.4361 12.4361 k =-0.2897 0.7272 0.3255 ( 3142 PWs) bands (ev): -39.2636 -39.2636 -39.2547 -39.2547 -18.2749 -18.2749 -18.2559 -18.2559 -17.8061 -17.8061 -17.7745 -17.7745 -17.7341 -17.7341 -17.6968 -17.6968 -0.1913 -0.1913 3.2846 3.2846 5.6602 5.6602 6.5271 6.5271 7.9861 7.9861 8.1975 8.1975 9.7730 9.7730 10.6900 10.6900 11.4788 11.4788 12.3848 12.3848 12.4676 12.4676 k =-0.2897 0.7272 0.3427 ( 3144 PWs) bands (ev): -39.2633 -39.2633 -39.2548 -39.2548 -18.2750 -18.2750 -18.2566 -18.2566 -17.8068 -17.8068 -17.7748 -17.7748 -17.7345 -17.7345 -17.6978 -17.6978 -0.1440 -0.1440 3.2385 3.2385 5.7116 5.7116 6.4682 6.4682 7.9527 7.9527 8.1925 8.1925 9.7502 9.7502 10.6448 10.6448 11.4982 11.4982 12.4308 12.4308 12.5001 12.5001 k =-0.2897 0.7272 0.3598 ( 3148 PWs) bands (ev): -39.2630 -39.2630 -39.2548 -39.2548 -18.2751 -18.2751 -18.2574 -18.2574 -17.8075 -17.8075 -17.7751 -17.7751 -17.7349 -17.7349 -17.6988 -17.6988 -0.0942 -0.0942 3.1877 3.1877 5.7648 5.7648 6.4159 6.4159 7.9164 7.9164 8.1852 8.1852 9.7311 9.7311 10.6008 10.6008 11.5174 11.5174 12.4760 12.4760 12.5334 12.5334 k =-0.2897 0.7272 0.3769 ( 3154 PWs) bands (ev): -39.2627 -39.2627 -39.2548 -39.2548 -18.2752 -18.2752 -18.2582 -18.2582 -17.8082 -17.8082 -17.7754 -17.7754 -17.7352 -17.7352 -17.6997 -17.6997 -0.0422 -0.0422 3.1321 3.1321 5.8197 5.8197 6.3705 6.3705 7.8773 7.8773 8.1755 8.1755 9.7158 9.7158 10.5582 10.5582 11.5368 11.5368 12.5204 12.5204 12.5674 12.5674 k =-0.2897 0.7272 0.3941 ( 3142 PWs) bands (ev): -39.2624 -39.2624 -39.2548 -39.2548 -18.2753 -18.2753 -18.2589 -18.2589 -17.8088 -17.8088 -17.7758 -17.7758 -17.7356 -17.7356 -17.7006 -17.7006 0.0121 0.0121 3.0718 3.0718 5.8761 5.8761 6.3320 6.3320 7.8358 7.8358 8.1632 8.1632 9.7044 9.7044 10.5171 10.5171 11.5566 11.5566 12.5632 12.5632 12.6018 12.6018 k =-0.2897 0.7272 0.4112 ( 3141 PWs) bands (ev): -39.2621 -39.2621 -39.2549 -39.2549 -18.2753 -18.2753 -18.2597 -18.2597 -17.8094 -17.8094 -17.7762 -17.7762 -17.7359 -17.7359 -17.7015 -17.7015 0.0687 0.0687 3.0070 3.0070 5.9337 5.9337 6.3005 6.3005 7.7920 7.7920 8.1479 8.1479 9.6964 9.6964 10.4772 10.4772 11.5770 11.5770 12.6010 12.6010 12.6362 12.6362 k =-0.2897 0.7272 0.4283 ( 3142 PWs) bands (ev): -39.2618 -39.2618 -39.2549 -39.2549 -18.2754 -18.2754 -18.2605 -18.2605 -17.8100 -17.8100 -17.7766 -17.7766 -17.7362 -17.7362 -17.7024 -17.7024 0.1276 0.1276 2.9378 2.9378 5.9922 5.9922 6.2759 6.2759 7.7463 7.7463 8.1296 8.1296 9.6918 9.6918 10.4388 10.4388 11.5982 11.5982 12.6234 12.6234 12.6702 12.6702 k =-0.2897 0.7272 0.4455 ( 3144 PWs) bands (ev): -39.2615 -39.2615 -39.2550 -39.2550 -18.2754 -18.2754 -18.2614 -18.2614 -17.8105 -17.8105 -17.7771 -17.7771 -17.7365 -17.7365 -17.7032 -17.7032 0.1887 0.1887 2.8646 2.8646 6.0515 6.0515 6.2582 6.2582 7.6992 7.6992 8.1081 8.1081 9.6904 9.6904 10.4017 10.4017 11.6202 11.6202 12.6235 12.6235 12.7044 12.7044 k =-0.2897 0.7272 0.4626 ( 3144 PWs) bands (ev): -39.2612 -39.2612 -39.2550 -39.2550 -18.2755 -18.2755 -18.2622 -18.2622 -17.8110 -17.8110 -17.7776 -17.7776 -17.7368 -17.7368 -17.7040 -17.7040 0.2520 0.2520 2.7876 2.7876 6.1106 6.1106 6.2474 6.2474 7.6510 7.6510 8.0835 8.0835 9.6920 9.6920 10.3659 10.3659 11.6433 11.6433 12.6116 12.6116 12.7386 12.7386 k =-0.2897 0.7272 0.4797 ( 3152 PWs) bands (ev): -39.2609 -39.2609 -39.2551 -39.2551 -18.2755 -18.2755 -18.2630 -18.2630 -17.8115 -17.8115 -17.7781 -17.7781 -17.7371 -17.7371 -17.7047 -17.7047 0.3174 0.3174 2.7073 2.7073 6.1680 6.1680 6.2447 6.2447 7.6023 7.6023 8.0556 8.0556 9.6964 9.6964 10.3315 10.3315 11.6675 11.6675 12.5941 12.5941 12.7723 12.7723 k =-0.2897 0.7272 0.4969 ( 3152 PWs) bands (ev): -39.2606 -39.2606 -39.2552 -39.2552 -18.2756 -18.2756 -18.2638 -18.2638 -17.8120 -17.8120 -17.7786 -17.7786 -17.7373 -17.7373 -17.7054 -17.7054 0.3850 0.3850 2.6240 2.6240 6.2146 6.2146 6.2583 6.2583 7.5537 7.5537 8.0245 8.0245 9.7033 9.7033 10.2982 10.2982 11.6929 11.6929 12.5729 12.5729 12.8053 12.8053 k =-0.2897 0.7272 0.5140 ( 3154 PWs) bands (ev): -39.2603 -39.2603 -39.2553 -39.2553 -18.2755 -18.2755 -18.2646 -18.2646 -17.8124 -17.8124 -17.7791 -17.7791 -17.7376 -17.7376 -17.7061 -17.7061 0.4547 0.4547 2.5382 2.5382 6.2347 6.2347 6.3030 6.3030 7.5057 7.5057 7.9902 7.9902 9.7125 9.7125 10.2661 10.2661 11.7196 11.7196 12.5489 12.5489 12.8373 12.8373 k =-0.2897 0.7272 0.5311 ( 3155 PWs) bands (ev): -39.2600 -39.2600 -39.2554 -39.2554 -18.2755 -18.2755 -18.2654 -18.2654 -17.8127 -17.8127 -17.7796 -17.7796 -17.7378 -17.7378 -17.7067 -17.7067 0.5265 0.5265 2.4502 2.4502 6.2480 6.2480 6.3580 6.3580 7.4592 7.4592 7.9528 7.9528 9.7239 9.7239 10.2350 10.2350 11.7477 11.7477 12.5223 12.5223 12.8684 12.8684 k =-0.2897 0.7272 0.5483 ( 3155 PWs) bands (ev): -39.2598 -39.2598 -39.2555 -39.2555 -18.2755 -18.2755 -18.2661 -18.2661 -17.8131 -17.8131 -17.7800 -17.7800 -17.7380 -17.7380 -17.7072 -17.7072 0.6002 0.6002 2.3604 2.3604 6.2638 6.2638 6.4128 6.4128 7.4153 7.4153 7.9125 7.9125 9.7371 9.7371 10.2048 10.2048 11.7770 11.7770 12.4936 12.4936 12.8983 12.8983 k =-0.2897 0.7272 0.5654 ( 3151 PWs) bands (ev): -39.2595 -39.2595 -39.2556 -39.2556 -18.2754 -18.2754 -18.2669 -18.2669 -17.8133 -17.8133 -17.7804 -17.7804 -17.7382 -17.7382 -17.7077 -17.7077 0.6760 0.6760 2.2692 2.2692 6.2829 6.2829 6.4649 6.4649 7.3751 7.3751 7.8695 7.8695 9.7521 9.7521 10.1755 10.1755 11.8077 11.8077 12.4628 12.4628 12.9268 12.9268 k =-0.2897 0.7272 0.5825 ( 3145 PWs) bands (ev): -39.2592 -39.2592 -39.2557 -39.2557 -18.2752 -18.2752 -18.2675 -18.2675 -17.8136 -17.8136 -17.7808 -17.7808 -17.7384 -17.7384 -17.7081 -17.7081 0.7536 0.7536 2.1770 2.1770 6.3055 6.3055 6.5122 6.5122 7.3403 7.3403 7.8240 7.8240 9.7686 9.7686 10.1470 10.1470 11.8396 11.8396 12.4303 12.4303 12.9537 12.9537 k =-0.2897 0.7272 0.5997 ( 3146 PWs) bands (ev): -39.2589 -39.2589 -39.2559 -39.2559 -18.2751 -18.2751 -18.2682 -18.2682 -17.8138 -17.8138 -17.7812 -17.7812 -17.7385 -17.7385 -17.7085 -17.7085 0.8331 0.8331 2.0840 2.0840 6.3311 6.3311 6.5530 6.5530 7.3126 7.3126 7.7763 7.7763 9.7864 9.7864 10.1191 10.1191 11.8728 11.8728 12.3962 12.3962 12.9790 12.9790 k =-0.2897 0.7272 0.6168 ( 3148 PWs) bands (ev): -39.2586 -39.2586 -39.2560 -39.2560 -18.2749 -18.2749 -18.2689 -18.2689 -17.8140 -17.8140 -17.7815 -17.7815 -17.7387 -17.7387 -17.7088 -17.7088 0.9144 0.9144 1.9905 1.9905 6.3593 6.3593 6.5849 6.5849 7.2943 7.2943 7.7267 7.7267 9.8054 9.8054 10.0919 10.0919 11.9071 11.9071 12.3607 12.3607 13.0023 13.0023 k =-0.2897 0.7272 0.6339 ( 3148 PWs) bands (ev): -39.2584 -39.2584 -39.2562 -39.2562 -18.2748 -18.2748 -18.2695 -18.2695 -17.8142 -17.8142 -17.7818 -17.7818 -17.7388 -17.7388 -17.7091 -17.7091 0.9973 0.9973 1.8969 1.8969 6.3896 6.3896 6.6062 6.6062 7.2874 7.2874 7.6757 7.6757 9.8256 9.8256 10.0652 10.0652 11.9425 11.9425 12.3241 12.3241 13.0235 13.0235 k =-0.2897 0.7272 0.6511 ( 3148 PWs) bands (ev): -39.2581 -39.2581 -39.2564 -39.2564 -18.2746 -18.2746 -18.2700 -18.2700 -17.8143 -17.8143 -17.7821 -17.7821 -17.7389 -17.7389 -17.7094 -17.7094 1.0819 1.0819 1.8034 1.8034 6.4215 6.4215 6.6156 6.6156 7.2929 7.2929 7.6237 7.6237 9.8466 9.8466 10.0389 10.0389 11.9788 11.9788 12.2866 12.2866 13.0423 13.0423 k =-0.2897 0.7272 0.6682 ( 3144 PWs) bands (ev): -39.2579 -39.2579 -39.2566 -39.2566 -18.2743 -18.2743 -18.2705 -18.2705 -17.8144 -17.8144 -17.7823 -17.7823 -17.7390 -17.7390 -17.7095 -17.7095 1.1681 1.1681 1.7102 1.7102 6.4541 6.4541 6.6135 6.6135 7.3106 7.3106 7.5714 7.5714 9.8685 9.8685 10.0131 10.0131 12.0160 12.0160 12.2484 12.2484 13.0585 13.0585 k =-0.2897 0.7272 0.6853 ( 3148 PWs) bands (ev): -39.2576 -39.2576 -39.2567 -39.2567 -18.2741 -18.2741 -18.2709 -18.2709 -17.8144 -17.8144 -17.7824 -17.7824 -17.7391 -17.7391 -17.7097 -17.7097 1.2556 1.2556 1.6175 1.6175 6.4866 6.4866 6.6014 6.6014 7.3392 7.3392 7.5196 7.5196 9.8911 9.8911 9.9877 9.9877 12.0538 12.0538 12.2098 12.2098 13.0720 13.0735 k =-0.2897 0.7272 0.7025 ( 3148 PWs) bands (ev): -39.2574 -39.2574 -39.2569 -39.2569 -18.2740 -18.2740 -18.2711 -18.2711 -17.8145 -17.8145 -17.7825 -17.7825 -17.7391 -17.7391 -17.7097 -17.7097 1.3444 1.3444 1.5256 1.5256 6.5168 6.5168 6.5827 6.5827 7.3760 7.3760 7.4695 7.4695 9.9143 9.9143 9.9629 9.9629 12.0919 12.0919 12.1712 12.1712 13.0824 13.0843 k =-0.2897 0.7272 0.7196 ( 3148 PWs) bands (ev): -39.2572 -39.2572 -39.2572 -39.2572 -18.2740 -18.2740 -18.2712 -18.2712 -17.8145 -17.8145 -17.7825 -17.7825 -17.7391 -17.7391 -17.7098 -17.7098 1.4325 1.4325 1.4364 1.4364 6.5349 6.5349 6.5684 6.5684 7.4110 7.4110 7.4302 7.4302 9.9356 9.9356 9.9411 9.9411 12.1238 12.1238 12.1392 12.1392 13.0883 13.0891 k =-0.2897 0.7272 0.7196 ( 3148 PWs) bands (ev): -39.2572 -39.2572 -39.2572 -39.2572 -18.2740 -18.2740 -18.2712 -18.2712 -17.8145 -17.8145 -17.7825 -17.7825 -17.7391 -17.7391 -17.7098 -17.7098 1.4325 1.4325 1.4364 1.4364 6.5349 6.5349 6.5684 6.5684 7.4110 7.4110 7.4302 7.4302 9.9356 9.9356 9.9411 9.9411 12.1238 12.1238 12.1392 12.1392 13.0881 13.0890 k =-0.2960 0.7112 0.7196 ( 3146 PWs) bands (ev): -39.2572 -39.2572 -39.2572 -39.2572 -18.2739 -18.2739 -18.2713 -18.2713 -17.8148 -17.8148 -17.7831 -17.7831 -17.7381 -17.7381 -17.7089 -17.7089 1.4332 1.4332 1.4372 1.4372 6.4947 6.4947 6.5266 6.5266 7.4358 7.4358 7.4535 7.4535 9.9656 9.9656 9.9708 9.9708 12.0530 12.0530 12.0697 12.0697 13.0922 13.0945 k =-0.3024 0.6952 0.7196 ( 3142 PWs) bands (ev): -39.2572 -39.2572 -39.2572 -39.2572 -18.2738 -18.2738 -18.2713 -18.2713 -17.8151 -17.8151 -17.7837 -17.7837 -17.7370 -17.7370 -17.7080 -17.7080 1.4331 1.4331 1.4371 1.4371 6.4540 6.4540 6.4843 6.4843 7.4632 7.4632 7.4793 7.4793 9.9978 9.9978 10.0028 10.0028 11.9810 11.9810 11.9990 11.9990 13.0955 13.0978 k =-0.3088 0.6792 0.7196 ( 3146 PWs) bands (ev): -39.2573 -39.2573 -39.2573 -39.2573 -18.2738 -18.2738 -18.2713 -18.2713 -17.8153 -17.8153 -17.7843 -17.7843 -17.7359 -17.7359 -17.7072 -17.7072 1.4322 1.4322 1.4363 1.4363 6.4131 6.4131 6.4417 6.4417 7.4933 7.4933 7.5077 7.5077 10.0322 10.0322 10.0370 10.0370 11.9081 11.9081 11.9272 11.9272 13.0964 13.0989 k =-0.3152 0.6632 0.7196 ( 3154 PWs) bands (ev): -39.2573 -39.2573 -39.2573 -39.2573 -18.2737 -18.2737 -18.2713 -18.2713 -17.8155 -17.8155 -17.7849 -17.7849 -17.7348 -17.7348 -17.7064 -17.7064 1.4305 1.4305 1.4347 1.4347 6.3719 6.3719 6.3990 6.3990 7.5258 7.5258 7.5386 7.5386 10.0689 10.0689 10.0736 10.0736 11.8345 11.8345 11.8546 11.8546 13.0967 13.0988 k =-0.3215 0.6472 0.7196 ( 3154 PWs) bands (ev): -39.2574 -39.2574 -39.2574 -39.2574 -18.2735 -18.2735 -18.2713 -18.2713 -17.8156 -17.8156 -17.7854 -17.7854 -17.7337 -17.7337 -17.7056 -17.7056 1.4282 1.4282 1.4324 1.4324 6.3306 6.3306 6.3562 6.3562 7.5609 7.5609 7.5720 7.5720 10.1080 10.1080 10.1126 10.1126 11.7604 11.7604 11.7814 11.7814 13.0957 13.0972 k =-0.3279 0.6312 0.7196 ( 3142 PWs) bands (ev): -39.2574 -39.2574 -39.2574 -39.2574 -18.2734 -18.2734 -18.2712 -18.2712 -17.8156 -17.8156 -17.7859 -17.7859 -17.7325 -17.7325 -17.7048 -17.7048 1.4253 1.4253 1.4295 1.4295 6.2894 6.2894 6.3135 6.3135 7.5984 7.5984 7.6078 7.6078 10.1495 10.1495 10.1540 10.1540 11.6860 11.6860 11.7078 11.7078 13.0941 13.0946 k =-0.3343 0.6152 0.7196 ( 3134 PWs) bands (ev): -39.2575 -39.2575 -39.2575 -39.2575 -18.2732 -18.2732 -18.2711 -18.2711 -17.8155 -17.8155 -17.7864 -17.7864 -17.7313 -17.7313 -17.7040 -17.7040 1.4218 1.4218 1.4260 1.4260 6.2485 6.2485 6.2710 6.2710 7.6382 7.6382 7.6460 7.6460 10.1934 10.1934 10.1978 10.1978 11.6115 11.6115 11.6339 11.6339 13.0912 13.0913 k =-0.3407 0.5992 0.7196 ( 3134 PWs) bands (ev): -39.2575 -39.2575 -39.2575 -39.2575 -18.2730 -18.2730 -18.2711 -18.2711 -17.8154 -17.8154 -17.7869 -17.7869 -17.7300 -17.7300 -17.7033 -17.7033 1.4177 1.4177 1.4219 1.4219 6.2078 6.2078 6.2289 6.2289 7.6803 7.6803 7.6864 7.6864 10.2396 10.2396 10.2440 10.2440 11.5369 11.5369 11.5600 11.5600 13.0877 13.0893 k =-0.3470 0.5832 0.7196 ( 3138 PWs) bands (ev): -39.2576 -39.2576 -39.2576 -39.2576 -18.2729 -18.2729 -18.2710 -18.2710 -17.8153 -17.8153 -17.7874 -17.7874 -17.7288 -17.7288 -17.7026 -17.7026 1.4130 1.4130 1.4172 1.4172 6.1676 6.1676 6.1874 6.1874 7.7244 7.7244 7.7290 7.7290 10.2881 10.2881 10.2925 10.2925 11.4624 11.4624 11.4861 11.4861 13.0828 13.0830 k =-0.3534 0.5672 0.7196 ( 3130 PWs) bands (ev): -39.2577 -39.2577 -39.2577 -39.2577 -18.2727 -18.2727 -18.2709 -18.2709 -17.8150 -17.8150 -17.7879 -17.7879 -17.7275 -17.7275 -17.7020 -17.7020 1.4080 1.4080 1.4122 1.4122 6.1280 6.1280 6.1465 6.1465 7.7707 7.7707 7.7737 7.7737 10.3390 10.3390 10.3433 10.3433 11.3881 11.3881 11.4124 11.4124 13.0771 13.0782 k =-0.3598 0.5512 0.7196 ( 3142 PWs) bands (ev): -39.2577 -39.2577 -39.2577 -39.2577 -18.2725 -18.2725 -18.2708 -18.2708 -17.8148 -17.8148 -17.7885 -17.7885 -17.7263 -17.7263 -17.7014 -17.7014 1.4026 1.4026 1.4067 1.4067 6.0891 6.0891 6.1063 6.1063 7.8187 7.8187 7.8203 7.8203 10.3920 10.3920 10.3962 10.3962 11.3141 11.3141 11.3389 11.3389 13.0701 13.0707 k =-0.3661 0.5352 0.7196 ( 3138 PWs) bands (ev): -39.2578 -39.2578 -39.2578 -39.2578 -18.2723 -18.2723 -18.2707 -18.2707 -17.8145 -17.8145 -17.7890 -17.7890 -17.7250 -17.7250 -17.7008 -17.7008 1.3968 1.3968 1.4009 1.4009 6.0511 6.0511 6.0672 6.0672 7.8686 7.8686 7.8687 7.8687 10.4472 10.4472 10.4513 10.4513 11.2406 11.2406 11.2659 11.2659 13.0622 13.0626 k =-0.3725 0.5192 0.7196 ( 3134 PWs) bands (ev): -39.2578 -39.2578 -39.2578 -39.2578 -18.2721 -18.2721 -18.2706 -18.2706 -17.8141 -17.8141 -17.7895 -17.7895 -17.7237 -17.7237 -17.7003 -17.7003 1.3909 1.3909 1.3948 1.3948 6.0141 6.0141 6.0290 6.0290 7.9188 7.9188 7.9200 7.9200 10.5045 10.5045 10.5084 10.5084 11.1676 11.1676 11.1935 11.1935 13.0525 13.0527 k =-0.3789 0.5032 0.7196 ( 3130 PWs) bands (ev): -39.2579 -39.2579 -39.2579 -39.2579 -18.2719 -18.2719 -18.2705 -18.2705 -17.8137 -17.8137 -17.7900 -17.7900 -17.7224 -17.7224 -17.6998 -17.6998 1.3847 1.3847 1.3886 1.3886 5.9781 5.9781 5.9920 5.9920 7.9703 7.9703 7.9729 7.9729 10.5636 10.5636 10.5673 10.5673 11.0953 11.0953 11.1218 11.1218 13.0413 13.0414 k =-0.3853 0.4872 0.7196 ( 3134 PWs) bands (ev): -39.2580 -39.2580 -39.2580 -39.2580 -18.2717 -18.2717 -18.2704 -18.2704 -17.8133 -17.8133 -17.7905 -17.7905 -17.7211 -17.7211 -17.6994 -17.6994 1.3784 1.3784 1.3822 1.3822 5.9434 5.9434 5.9563 5.9563 8.0231 8.0231 8.0269 8.0269 10.6246 10.6246 10.6276 10.6276 11.0238 11.0238 11.0512 11.0512 13.0283 13.0284 k =-0.3916 0.4712 0.7196 ( 3126 PWs) bands (ev): -39.2580 -39.2580 -39.2580 -39.2580 -18.2715 -18.2715 -18.2703 -18.2703 -17.8127 -17.8127 -17.7910 -17.7910 -17.7197 -17.7197 -17.6990 -17.6990 1.3721 1.3721 1.3757 1.3757 5.9100 5.9100 5.9219 5.9219 8.0771 8.0771 8.0820 8.0820 10.6870 10.6870 10.6887 10.6887 10.9535 10.9535 10.9823 10.9823 13.0130 13.0134 k =-0.3980 0.4552 0.7196 ( 3130 PWs) bands (ev): -39.2581 -39.2581 -39.2581 -39.2581 -18.2713 -18.2713 -18.2702 -18.2702 -17.8122 -17.8122 -17.7915 -17.7915 -17.7185 -17.7185 -17.6987 -17.6987 1.3657 1.3657 1.3692 1.3692 5.8781 5.8781 5.8890 5.8890 8.1318 8.1318 8.1378 8.1378 10.7480 10.7480 10.7498 10.7498 10.8852 10.8852 10.9176 10.9176 12.9954 12.9965 k =-0.4044 0.4392 0.7196 ( 3128 PWs) bands (ev): -39.2582 -39.2582 -39.2582 -39.2582 -18.2712 -18.2712 -18.2701 -18.2701 -17.8117 -17.8117 -17.7920 -17.7920 -17.7172 -17.7172 -17.6984 -17.6984 1.3594 1.3594 1.3628 1.3628 5.8476 5.8476 5.8577 5.8577 8.1873 8.1873 8.1942 8.1942 10.7877 10.7877 10.7946 10.7946 10.8375 10.8375 10.8750 10.8750 12.9750 12.9758 k =-0.4108 0.4232 0.7196 ( 3136 PWs) bands (ev): -39.2582 -39.2582 -39.2582 -39.2582 -18.2710 -18.2710 -18.2700 -18.2700 -17.8111 -17.8111 -17.7926 -17.7926 -17.7159 -17.7159 -17.6982 -17.6982 1.3532 1.3532 1.3564 1.3564 5.8188 5.8188 5.8280 5.8280 8.2430 8.2430 8.2508 8.2508 10.7420 10.7420 10.7550 10.7550 10.8898 10.8898 10.9072 10.9072 12.9508 12.9531 k =-0.4171 0.4072 0.7196 ( 3144 PWs) bands (ev): -39.2583 -39.2583 -39.2583 -39.2583 -18.2709 -18.2709 -18.2700 -18.2700 -17.8105 -17.8105 -17.7932 -17.7932 -17.7147 -17.7147 -17.6980 -17.6980 1.3472 1.3472 1.3502 1.3502 5.7916 5.7916 5.8000 5.8000 8.2988 8.2988 8.3075 8.3075 10.6772 10.6772 10.6949 10.6949 10.9567 10.9567 10.9692 10.9692 12.9232 12.9242 k =-0.4235 0.3912 0.7196 ( 3140 PWs) bands (ev): -39.2583 -39.2583 -39.2583 -39.2583 -18.2707 -18.2707 -18.2699 -18.2699 -17.8099 -17.8099 -17.7937 -17.7937 -17.7134 -17.7134 -17.6979 -17.6979 1.3414 1.3414 1.3442 1.3442 5.7662 5.7662 5.7738 5.7738 8.3545 8.3545 8.3638 8.3638 10.6132 10.6132 10.6322 10.6322 11.0254 11.0254 11.0363 11.0363 12.8917 12.8938 k =-0.4299 0.3752 0.7196 ( 3142 PWs) bands (ev): -39.2584 -39.2584 -39.2584 -39.2584 -18.2705 -18.2705 -18.2698 -18.2698 -17.8092 -17.8092 -17.7943 -17.7943 -17.7122 -17.7122 -17.6979 -17.6979 1.3359 1.3359 1.3385 1.3385 5.7426 5.7426 5.7495 5.7495 8.4096 8.4096 8.4194 8.4194 10.5508 10.5508 10.5701 10.5701 11.0950 11.0950 11.1050 11.1050 12.8555 12.8558 k =-0.4363 0.3592 0.7196 ( 3150 PWs) bands (ev): -39.2584 -39.2584 -39.2584 -39.2584 -18.2704 -18.2704 -18.2697 -18.2697 -17.8085 -17.8085 -17.7949 -17.7949 -17.7111 -17.7111 -17.6979 -17.6979 1.3307 1.3307 1.3331 1.3331 5.7209 5.7209 5.7271 5.7271 8.4637 8.4637 8.4738 8.4738 10.4905 10.4905 10.5096 10.5096 11.1649 11.1649 11.1744 11.1744 12.8158 12.8175 k =-0.4426 0.3432 0.7196 ( 3154 PWs) bands (ev): -39.2585 -39.2585 -39.2585 -39.2585 -18.2703 -18.2703 -18.2697 -18.2697 -17.8079 -17.8079 -17.7955 -17.7955 -17.7099 -17.7099 -17.6980 -17.6980 1.3259 1.3259 1.3281 1.3281 5.7011 5.7011 5.7066 5.7066 8.5162 8.5162 8.5265 8.5265 10.4329 10.4329 10.4514 10.4514 11.2348 11.2348 11.2439 11.2439 12.7720 12.7755 k =-0.4490 0.3272 0.7196 ( 3156 PWs) bands (ev): -39.2585 -39.2585 -39.2585 -39.2585 -18.2702 -18.2702 -18.2696 -18.2696 -17.8072 -17.8072 -17.7961 -17.7961 -17.7088 -17.7088 -17.6981 -17.6981 1.3215 1.3215 1.3234 1.3234 5.6833 5.6833 5.6881 5.6881 8.5667 8.5667 8.5769 8.5769 10.3784 10.3784 10.3961 10.3961 11.3039 11.3039 11.3127 11.3127 12.7246 12.7259 k =-0.4554 0.3112 0.7196 ( 3164 PWs) bands (ev): -39.2586 -39.2586 -39.2586 -39.2586 -18.2701 -18.2701 -18.2696 -18.2696 -17.8065 -17.8065 -17.7968 -17.7968 -17.7077 -17.7077 -17.6984 -17.6984 1.3175 1.3175 1.3192 1.3192 5.6675 5.6675 5.6717 5.6717 8.6144 8.6144 8.6243 8.6243 10.3276 10.3276 10.3441 10.3441 11.3718 11.3718 11.3802 11.3802 12.6754 12.6783 k =-0.4618 0.2952 0.7196 ( 3164 PWs) bands (ev): -39.2586 -39.2586 -39.2586 -39.2586 -18.2700 -18.2700 -18.2696 -18.2696 -17.8057 -17.8057 -17.7974 -17.7974 -17.7067 -17.7067 -17.6986 -17.6986 1.3140 1.3140 1.3155 1.3155 5.6538 5.6538 5.6574 5.6574 8.6587 8.6587 8.6681 8.6681 10.2812 10.2812 10.2962 10.2962 11.4374 11.4374 11.4453 11.4453 12.6253 12.6255 k =-0.4681 0.2792 0.7196 ( 3168 PWs) bands (ev): -39.2586 -39.2586 -39.2586 -39.2586 -18.2699 -18.2699 -18.2696 -18.2696 -17.8050 -17.8050 -17.7980 -17.7980 -17.7057 -17.7057 -17.6990 -17.6990 1.3110 1.3110 1.3123 1.3123 5.6422 5.6422 5.6451 5.6451 8.6988 8.6988 8.7073 8.7073 10.2400 10.2400 10.2532 10.2532 11.4995 11.4995 11.5068 11.5068 12.5759 12.5764 k =-0.4745 0.2632 0.7196 ( 3160 PWs) bands (ev): -39.2586 -39.2586 -39.2586 -39.2586 -18.2698 -18.2698 -18.2695 -18.2695 -17.8043 -17.8043 -17.7987 -17.7987 -17.7048 -17.7048 -17.6994 -17.6994 1.3086 1.3086 1.3096 1.3096 5.6327 5.6327 5.6351 5.6351 8.7337 8.7337 8.7410 8.7410 10.2048 10.2048 10.2160 10.2160 11.5565 11.5565 11.5631 11.5631 12.5291 12.5301 k =-0.4809 0.2472 0.7196 ( 3156 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2697 -18.2697 -18.2695 -18.2695 -17.8036 -17.8036 -17.7993 -17.7993 -17.7039 -17.7039 -17.6998 -17.6998 1.3067 1.3067 1.3075 1.3075 5.6254 5.6254 5.6271 5.6271 8.7623 8.7623 8.7682 8.7682 10.1767 10.1767 10.1854 10.1854 11.6062 11.6062 11.6117 11.6117 12.4878 12.4900 k =-0.4873 0.2312 0.7196 ( 3152 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2696 -18.2696 -18.2695 -18.2695 -17.8028 -17.8028 -17.8000 -17.8000 -17.7031 -17.7031 -17.7003 -17.7003 1.3054 1.3054 1.3059 1.3059 5.6202 5.6202 5.6214 5.6214 8.7840 8.7840 8.7881 8.7881 10.1563 10.1563 10.1622 10.1622 11.6457 11.6457 11.6497 11.6497 12.4554 12.4566 k =-0.4936 0.2152 0.7196 ( 3140 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2695 -18.2695 -18.2695 -18.2695 -17.8021 -17.8021 -17.8006 -17.8006 -17.7023 -17.7023 -17.7009 -17.7009 1.3046 1.3046 1.3049 1.3049 5.6172 5.6172 5.6178 5.6178 8.7979 8.7979 8.8000 8.8000 10.1443 10.1443 10.1474 10.1474 11.6719 11.6719 11.6740 11.6740 12.4332 12.4340 k =-0.5000 0.1992 0.7196 ( 3140 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2695 -18.2695 -18.2695 -18.2695 -17.8014 -17.8014 -17.8014 -17.8014 -17.7016 -17.7016 -17.7016 -17.7016 1.3044 1.3044 1.3044 1.3044 5.6164 5.6164 5.6164 5.6164 8.8033 8.8033 8.8033 8.8033 10.1413 10.1413 10.1413 10.1413 11.6817 11.6817 11.6817 11.6817 12.4263 12.4263 k =-0.5000 0.1992 0.7196 ( 3140 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2695 -18.2695 -18.2695 -18.2695 -17.8014 -17.8014 -17.8014 -17.8014 -17.7016 -17.7016 -17.7016 -17.7016 1.3044 1.3044 1.3044 1.3044 5.6164 5.6164 5.6164 5.6164 8.8033 8.8033 8.8033 8.8033 10.1413 10.1413 10.1413 10.1413 11.6817 11.6817 11.6817 11.6817 12.4263 12.4263 k =-0.5000 0.1992 0.7025 ( 3136 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2696 -18.2696 -18.2693 -18.2693 -17.8021 -17.8021 -17.8005 -17.8005 -17.7022 -17.7022 -17.7010 -17.7010 1.2015 1.2015 1.4080 1.4080 5.5248 5.5248 5.7116 5.7116 8.7694 8.7694 8.8390 8.8390 10.0981 10.0981 10.1846 10.1846 11.6363 11.6363 11.7281 11.7281 12.3932 12.3932 k =-0.5000 0.1992 0.6853 ( 3140 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2697 -18.2697 -18.2690 -18.2690 -17.8028 -17.8028 -17.7995 -17.7995 -17.7028 -17.7028 -17.7004 -17.7004 1.0994 1.0994 1.5119 1.5119 5.4370 5.4370 5.8099 5.8099 8.7373 8.7373 8.8767 8.8767 10.0548 10.0548 10.2278 10.2278 11.5919 11.5919 11.7753 11.7753 12.3600 12.3600 k =-0.5000 0.1992 0.6682 ( 3144 PWs) bands (ev): -39.2588 -39.2588 -39.2587 -39.2587 -18.2697 -18.2697 -18.2687 -18.2687 -17.8034 -17.8034 -17.7985 -17.7985 -17.7035 -17.7035 -17.6999 -17.6999 0.9985 0.9985 1.6156 1.6156 5.3537 5.3537 5.9108 5.9108 8.7071 8.7071 8.9162 8.9162 10.0115 10.0115 10.2710 10.2710 11.5488 11.5488 11.8232 11.8232 12.3271 12.3271 k =-0.5000 0.1992 0.6511 ( 3146 PWs) bands (ev): -39.2588 -39.2588 -39.2587 -39.2587 -18.2697 -18.2697 -18.2683 -18.2683 -17.8040 -17.8040 -17.7973 -17.7973 -17.7042 -17.7042 -17.6994 -17.6994 0.8989 0.8989 1.7187 1.7187 5.2753 5.2753 6.0142 6.0142 8.6785 8.6785 8.9578 8.9578 9.9683 9.9683 10.3141 10.3141 11.5070 11.5070 11.8717 11.8717 12.2946 12.2946 k =-0.5000 0.1992 0.6339 ( 3158 PWs) bands (ev): -39.2589 -39.2589 -39.2587 -39.2587 -18.2696 -18.2696 -18.2679 -18.2679 -17.8044 -17.8044 -17.7961 -17.7961 -17.7050 -17.7050 -17.6990 -17.6990 0.8009 0.8009 1.8207 1.8207 5.2024 5.2024 6.1196 6.1196 8.6515 8.6515 9.0014 9.0014 9.9252 9.9252 10.3572 10.3572 11.4667 11.4667 11.9206 11.9206 12.2627 12.2627 k =-0.5000 0.1992 0.6168 ( 3158 PWs) bands (ev): -39.2590 -39.2590 -39.2587 -39.2587 -18.2694 -18.2694 -18.2674 -18.2674 -17.8047 -17.8047 -17.7948 -17.7948 -17.7058 -17.7058 -17.6986 -17.6986 0.7045 0.7045 1.9209 1.9209 5.1359 5.1359 6.2268 6.2268 8.6262 8.6262 9.0471 9.0471 9.8824 9.8824 10.4004 10.4004 11.4280 11.4280 11.9697 11.9697 12.2312 12.2312 k =-0.5000 0.1992 0.5997 ( 3162 PWs) bands (ev): -39.2591 -39.2591 -39.2588 -39.2588 -18.2692 -18.2692 -18.2669 -18.2669 -17.8049 -17.8049 -17.7935 -17.7935 -17.7066 -17.7066 -17.6982 -17.6982 0.6100 0.6100 2.0186 2.0186 5.0764 5.0764 6.3354 6.3354 8.6024 8.6024 9.0947 9.0947 9.8399 9.8399 10.4435 10.4435 11.3909 11.3909 12.0191 12.0191 12.2002 12.2002 k =-0.5000 0.1992 0.5825 ( 3166 PWs) bands (ev): -39.2591 -39.2591 -39.2588 -39.2588 -18.2689 -18.2689 -18.2663 -18.2663 -17.8050 -17.8050 -17.7920 -17.7920 -17.7074 -17.7074 -17.6979 -17.6979 0.5174 0.5174 2.1128 2.1128 5.0249 5.0249 6.4451 6.4451 8.5801 8.5801 9.1445 9.1445 9.7978 9.7978 10.4867 10.4867 11.3557 11.3557 12.0684 12.0684 12.1693 12.1693 k =-0.5000 0.1992 0.5654 ( 3174 PWs) bands (ev): -39.2592 -39.2592 -39.2589 -39.2589 -18.2685 -18.2685 -18.2656 -18.2656 -17.8050 -17.8050 -17.7905 -17.7905 -17.7082 -17.7082 -17.6976 -17.6976 0.4269 0.4269 2.2028 2.2028 4.9824 4.9824 6.5555 6.5555 8.5591 8.5591 9.1964 9.1964 9.7563 9.7563 10.5299 10.5299 11.3225 11.3225 12.1169 12.1169 12.1389 12.1389 k =-0.5000 0.1992 0.5483 ( 3174 PWs) bands (ev): -39.2593 -39.2593 -39.2589 -39.2589 -18.2681 -18.2681 -18.2649 -18.2649 -17.8049 -17.8049 -17.7889 -17.7889 -17.7091 -17.7091 -17.6973 -17.6973 0.3385 0.3385 2.2873 2.2873 4.9499 4.9499 6.6665 6.6665 8.5395 8.5395 9.2504 9.2504 9.7154 9.7154 10.5733 10.5733 11.2912 11.2912 12.1064 12.1064 12.1671 12.1671 k =-0.5000 0.1992 0.5311 ( 3170 PWs) bands (ev): -39.2595 -39.2595 -39.2590 -39.2590 -18.2676 -18.2676 -18.2642 -18.2642 -17.8047 -17.8047 -17.7873 -17.7873 -17.7100 -17.7100 -17.6971 -17.6971 0.2523 0.2523 2.3652 2.3652 4.9287 4.9287 6.7775 6.7775 8.5212 8.5212 9.3065 9.3065 9.6755 9.6755 10.6168 10.6168 11.2622 11.2622 12.0746 12.0746 12.2156 12.2156 k =-0.5000 0.1992 0.5140 ( 3166 PWs) bands (ev): -39.2596 -39.2596 -39.2591 -39.2591 -18.2671 -18.2671 -18.2634 -18.2634 -17.8044 -17.8044 -17.7856 -17.7856 -17.7109 -17.7109 -17.6969 -17.6969 0.1683 0.1683 2.4356 2.4356 4.9198 4.9198 6.8883 6.8883 8.5041 8.5041 9.3646 9.3646 9.6366 9.6366 10.6604 10.6604 11.2354 11.2354 12.0421 12.0421 12.2636 12.2636 k =-0.5000 0.1992 0.4969 ( 3162 PWs) bands (ev): -39.2597 -39.2597 -39.2592 -39.2592 -18.2665 -18.2665 -18.2626 -18.2626 -17.8040 -17.8040 -17.7839 -17.7839 -17.7118 -17.7118 -17.6967 -17.6967 0.0868 0.0868 2.4974 2.4974 4.9244 4.9244 6.9983 6.9983 8.4881 8.4881 9.4246 9.4246 9.5992 9.5992 10.7040 10.7040 11.2108 11.2108 12.0088 12.0088 12.3110 12.3110 k =-0.5000 0.1992 0.4797 ( 3158 PWs) bands (ev): -39.2598 -39.2598 -39.2593 -39.2593 -18.2659 -18.2659 -18.2618 -18.2618 -17.8035 -17.8035 -17.7821 -17.7821 -17.7127 -17.7127 -17.6966 -17.6966 0.0076 0.0076 2.5497 2.5497 4.9430 4.9430 7.1072 7.1072 8.4732 8.4732 9.4852 9.4852 9.5647 9.5647 10.7477 10.7477 11.1887 11.1887 11.9748 11.9748 12.3251 12.3251 k =-0.5000 0.1992 0.4626 ( 3158 PWs) bands (ev): -39.2600 -39.2600 -39.2594 -39.2594 -18.2652 -18.2652 -18.2610 -18.2610 -17.8029 -17.8029 -17.7803 -17.7803 -17.7136 -17.7136 -17.6965 -17.6965 -0.0691 -0.0691 2.5922 2.5922 4.9762 4.9762 7.2146 7.2146 8.4592 8.4592 9.5178 9.5178 9.5619 9.5619 10.7914 10.7914 11.1691 11.1691 11.9403 11.9403 12.2631 12.2631 k =-0.5000 0.1992 0.4455 ( 3162 PWs) bands (ev): -39.2601 -39.2601 -39.2595 -39.2595 -18.2646 -18.2646 -18.2602 -18.2602 -17.8022 -17.8022 -17.7784 -17.7784 -17.7146 -17.7146 -17.6965 -17.6965 -0.1433 -0.1433 2.6246 2.6246 5.0242 5.0242 7.3198 7.3198 8.4461 8.4461 9.4904 9.4904 9.6229 9.6229 10.8349 10.8349 11.1520 11.1520 11.9057 11.9057 12.1979 12.1979 k =-0.5000 0.1992 0.4283 ( 3160 PWs) bands (ev): -39.2602 -39.2602 -39.2596 -39.2596 -18.2639 -18.2639 -18.2593 -18.2593 -17.8015 -17.8015 -17.7766 -17.7766 -17.7155 -17.7155 -17.6965 -17.6965 -0.2150 -0.2150 2.6474 2.6474 5.0867 5.0867 7.4223 7.4223 8.4339 8.4339 9.4600 9.4600 9.6911 9.6911 10.8780 10.8780 11.1375 11.1375 11.8715 11.8715 12.1304 12.1304 k =-0.5000 0.1992 0.4112 ( 3156 PWs) bands (ev): -39.2604 -39.2604 -39.2597 -39.2597 -18.2631 -18.2631 -18.2584 -18.2584 -17.8006 -17.8006 -17.7747 -17.7747 -17.7165 -17.7165 -17.6966 -17.6966 -0.2841 -0.2841 2.6610 2.6610 5.1630 5.1630 7.5216 7.5216 8.4225 8.4225 9.4314 9.4314 9.7618 9.7618 10.9206 10.9206 11.1257 11.1257 11.8382 11.8382 12.0613 12.0613 k =-0.5000 0.1992 0.3941 ( 3156 PWs) bands (ev): -39.2605 -39.2605 -39.2598 -39.2598 -18.2624 -18.2624 -18.2576 -18.2576 -17.7997 -17.7997 -17.7729 -17.7729 -17.7174 -17.7174 -17.6967 -17.6967 -0.3506 -0.3506 2.6665 2.6665 5.2521 5.2521 7.6171 7.6171 8.4118 8.4118 9.4051 9.4051 9.8348 9.8348 10.9622 10.9622 11.1165 11.1165 11.8063 11.8063 11.9911 11.9911 k =-0.5000 0.1992 0.3769 ( 3152 PWs) bands (ev): -39.2607 -39.2607 -39.2599 -39.2599 -18.2616 -18.2616 -18.2568 -18.2568 -17.7986 -17.7986 -17.7710 -17.7710 -17.7183 -17.7183 -17.6968 -17.6968 -0.4145 -0.4145 2.6648 2.6648 5.3530 5.3530 7.7081 7.7081 8.4018 8.4018 9.3814 9.3814 9.9098 9.9098 11.0021 11.0021 11.1101 11.1101 11.7766 11.7766 11.9206 11.9206 k =-0.5000 0.1992 0.3598 ( 3152 PWs) bands (ev): -39.2608 -39.2608 -39.2600 -39.2600 -18.2609 -18.2609 -18.2559 -18.2559 -17.7976 -17.7976 -17.7692 -17.7692 -17.7192 -17.7192 -17.6970 -17.6970 -0.4757 -0.4757 2.6572 2.6572 5.4645 5.4645 7.7939 7.7939 8.3924 8.3924 9.3608 9.3608 9.9868 9.9868 11.0394 11.0394 11.1064 11.1064 11.7497 11.7497 11.8507 11.8507 k =-0.5000 0.1992 0.3427 ( 3152 PWs) bands (ev): -39.2609 -39.2609 -39.2601 -39.2601 -18.2601 -18.2601 -18.2551 -18.2551 -17.7964 -17.7964 -17.7674 -17.7674 -17.7200 -17.7200 -17.6972 -17.6972 -0.5341 -0.5341 2.6447 2.6447 5.5854 5.5854 7.8740 7.8740 8.3836 8.3836 9.3433 9.3433 10.0657 10.0657 11.0723 11.0723 11.1057 11.1057 11.7261 11.7261 11.7829 11.7829 k =-0.5000 0.1992 0.3255 ( 3156 PWs) bands (ev): -39.2611 -39.2611 -39.2603 -39.2603 -18.2594 -18.2594 -18.2543 -18.2543 -17.7952 -17.7952 -17.7657 -17.7657 -17.7208 -17.7208 -17.6975 -17.6975 -0.5899 -0.5899 2.6284 2.6284 5.7145 5.7145 7.9477 7.9477 8.3754 8.3754 9.3291 9.3291 10.1465 10.1465 11.0971 11.0971 11.1093 11.1093 11.7061 11.7061 11.7194 11.7194 k =-0.5000 0.1992 0.3084 ( 3148 PWs) bands (ev): -39.2612 -39.2612 -39.2604 -39.2604 -18.2586 -18.2586 -18.2536 -18.2536 -17.7939 -17.7939 -17.7641 -17.7641 -17.7216 -17.7216 -17.6979 -17.6979 -0.6429 -0.6429 2.6091 2.6091 5.8510 5.8510 8.0147 8.0147 8.3677 8.3677 9.3184 9.3184 10.2290 10.2290 11.1077 11.1077 11.1192 11.1192 11.6633 11.6633 11.6910 11.6910 k =-0.5000 0.1992 0.2913 ( 3148 PWs) bands (ev): -39.2614 -39.2614 -39.2605 -39.2605 -18.2578 -18.2578 -18.2528 -18.2528 -17.7925 -17.7925 -17.7626 -17.7626 -17.7222 -17.7222 -17.6982 -17.6982 -0.6932 -0.6932 2.5878 2.5878 5.9938 5.9938 8.0745 8.0745 8.3605 8.3605 9.3111 9.3111 10.3131 10.3131 11.1134 11.1134 11.1208 11.1208 11.6204 11.6204 11.6800 11.6800 k =-0.5000 0.1992 0.2741 ( 3148 PWs) bands (ev): -39.2615 -39.2615 -39.2606 -39.2606 -18.2571 -18.2571 -18.2521 -18.2521 -17.7911 -17.7911 -17.7612 -17.7612 -17.7228 -17.7228 -17.6987 -17.6987 -0.7407 -0.7407 2.5652 2.5652 6.1421 6.1421 8.1269 8.1269 8.3538 8.3538 9.3070 9.3070 10.3986 10.3986 11.0971 11.0971 11.1257 11.1257 11.5951 11.5951 11.6740 11.6740 k =-0.5000 0.1992 0.2570 ( 3150 PWs) bands (ev): -39.2616 -39.2616 -39.2607 -39.2607 -18.2564 -18.2564 -18.2515 -18.2515 -17.7897 -17.7897 -17.7600 -17.7600 -17.7232 -17.7232 -17.6992 -17.6992 -0.7854 -0.7854 2.5418 2.5418 6.2950 6.2950 8.1720 8.1720 8.3475 8.3475 9.3061 9.3061 10.4854 10.4854 11.0539 11.0539 11.1367 11.1367 11.5892 11.5892 11.6728 11.6728 k =-0.5000 0.1992 0.2399 ( 3158 PWs) bands (ev): -39.2618 -39.2618 -39.2608 -39.2608 -18.2557 -18.2557 -18.2509 -18.2509 -17.7882 -17.7882 -17.7589 -17.7589 -17.7235 -17.7235 -17.6997 -17.6997 -0.8273 -0.8273 2.5183 2.5183 6.4520 6.4520 8.2101 8.2101 8.3417 8.3417 9.3076 9.3076 10.5732 10.5732 10.9900 10.9900 11.1500 11.1500 11.5995 11.5995 11.6763 11.6763 k =-0.5000 0.1992 0.2227 ( 3154 PWs) bands (ev): -39.2619 -39.2619 -39.2609 -39.2609 -18.2551 -18.2551 -18.2503 -18.2503 -17.7867 -17.7867 -17.7581 -17.7581 -17.7236 -17.7236 -17.7003 -17.7003 -0.8663 -0.8663 2.4949 2.4949 6.6123 6.6123 8.2414 8.2414 8.3364 8.3364 9.3113 9.3113 10.6614 10.6614 10.9105 10.9105 11.1653 11.1653 11.6212 11.6212 11.6845 11.6845 k =-0.5000 0.1992 0.2056 ( 3144 PWs) bands (ev): -39.2620 -39.2620 -39.2610 -39.2610 -18.2544 -18.2544 -18.2497 -18.2497 -17.7852 -17.7852 -17.7574 -17.7574 -17.7235 -17.7235 -17.7009 -17.7009 -0.9025 -0.9025 2.4722 2.4722 6.7753 6.7753 8.2667 8.2667 8.3318 8.3318 9.3165 9.3165 10.7447 10.7447 10.8243 10.8243 11.1824 11.1824 11.6498 11.6498 11.6969 11.6969 k =-0.5000 0.1992 0.1885 ( 3142 PWs) bands (ev): -39.2621 -39.2621 -39.2611 -39.2611 -18.2538 -18.2538 -18.2492 -18.2492 -17.7836 -17.7836 -17.7571 -17.7571 -17.7233 -17.7233 -17.7016 -17.7016 -0.9359 -0.9359 2.4504 2.4504 6.9403 6.9403 8.2862 8.2862 8.3280 8.3280 9.3227 9.3227 10.7075 10.7075 10.8494 10.8494 11.2008 11.2008 11.6820 11.6820 11.7130 11.7130 k =-0.5000 0.1992 0.1713 ( 3146 PWs) bands (ev): -39.2622 -39.2622 -39.2612 -39.2612 -18.2533 -18.2533 -18.2487 -18.2487 -17.7820 -17.7820 -17.7569 -17.7569 -17.7229 -17.7229 -17.7024 -17.7024 -0.9664 -0.9664 2.4298 2.4298 7.1066 7.1066 8.3000 8.3000 8.3258 8.3258 9.3292 9.3292 10.5998 10.5998 10.9369 10.9369 11.2203 11.2203 11.7153 11.7153 11.7326 11.7326 k =-0.5000 0.1992 0.1542 ( 3142 PWs) bands (ev): -39.2623 -39.2623 -39.2612 -39.2612 -18.2527 -18.2527 -18.2483 -18.2483 -17.7804 -17.7804 -17.7570 -17.7570 -17.7223 -17.7223 -17.7031 -17.7031 -0.9940 -0.9940 2.4106 2.4106 7.2734 7.2734 8.3071 8.3071 8.3270 8.3270 9.3359 9.3359 10.4834 10.4834 11.0260 11.0260 11.2406 11.2406 11.7460 11.7460 11.7571 11.7571 k =-0.5000 0.1992 0.1371 ( 3152 PWs) bands (ev): -39.2624 -39.2624 -39.2613 -39.2613 -18.2523 -18.2523 -18.2479 -18.2479 -17.7789 -17.7789 -17.7573 -17.7573 -17.7216 -17.7216 -17.7040 -17.7040 -1.0187 -1.0187 2.3929 2.3929 7.4396 7.4396 8.3081 8.3081 8.3318 8.3318 9.3420 9.3420 10.3612 10.3612 11.1143 11.1143 11.2611 11.2611 11.7710 11.7710 11.7874 11.7874 k =-0.5000 0.1992 0.1199 ( 3144 PWs) bands (ev): -39.2624 -39.2624 -39.2614 -39.2614 -18.2518 -18.2518 -18.2476 -18.2476 -17.7773 -17.7773 -17.7578 -17.7578 -17.7207 -17.7207 -17.7049 -17.7049 -1.0406 -1.0406 2.3771 2.3771 7.6043 7.6043 8.3066 8.3066 8.3373 8.3373 9.3477 9.3477 10.2348 10.2348 11.2006 11.2006 11.2815 11.2815 11.7939 11.7939 11.8182 11.8182 k =-0.5000 0.1992 0.1028 ( 3154 PWs) bands (ev): -39.2625 -39.2625 -39.2614 -39.2614 -18.2515 -18.2515 -18.2473 -18.2473 -17.7757 -17.7757 -17.7585 -17.7585 -17.7197 -17.7197 -17.7059 -17.7059 -1.0595 -1.0595 2.3631 2.3631 7.7654 7.7654 8.3046 8.3046 8.3421 8.3421 9.3526 9.3526 10.1059 10.1059 11.2831 11.2831 11.3015 11.3015 11.8157 11.8157 11.8467 11.8467 k =-0.5000 0.1992 0.0857 ( 3158 PWs) bands (ev): -39.2626 -39.2626 -39.2615 -39.2615 -18.2512 -18.2512 -18.2471 -18.2471 -17.7742 -17.7742 -17.7593 -17.7593 -17.7187 -17.7187 -17.7069 -17.7069 -1.0756 -1.0756 2.3511 2.3511 7.9207 7.9207 8.3027 8.3027 8.3465 8.3465 9.3567 9.3567 9.9768 9.9768 11.3186 11.3186 11.3621 11.3621 11.8358 11.8358 11.8721 11.8721 k =-0.5000 0.1992 0.0685 ( 3158 PWs) bands (ev): -39.2626 -39.2626 -39.2615 -39.2615 -18.2509 -18.2509 -18.2469 -18.2469 -17.7727 -17.7727 -17.7602 -17.7602 -17.7175 -17.7175 -17.7080 -17.7080 -1.0887 -1.0887 2.3412 2.3412 8.0657 8.0657 8.3010 8.3010 8.3516 8.3516 9.3601 9.3601 9.8510 9.8510 11.3348 11.3348 11.4328 11.4328 11.8534 11.8534 11.8936 11.8936 k =-0.5000 0.1992 0.0514 ( 3148 PWs) bands (ev): -39.2626 -39.2626 -39.2616 -39.2616 -18.2507 -18.2507 -18.2467 -18.2467 -17.7713 -17.7713 -17.7611 -17.7611 -17.7163 -17.7163 -17.7090 -17.7090 -1.0989 -1.0989 2.3334 2.3334 8.1919 8.1919 8.2998 8.2998 8.3610 8.3610 9.3628 9.3628 9.7340 9.7340 11.3482 11.3482 11.4937 11.4937 11.8680 11.8680 11.9108 11.9108 k =-0.5000 0.1992 0.0343 ( 3150 PWs) bands (ev): -39.2627 -39.2627 -39.2616 -39.2616 -18.2506 -18.2506 -18.2466 -18.2466 -17.7701 -17.7701 -17.7620 -17.7620 -17.7152 -17.7152 -17.7101 -17.7101 -1.1062 -1.1062 2.3278 2.3278 8.2786 8.2786 8.2993 8.2993 8.3864 8.3864 9.3646 9.3646 9.6343 9.6343 11.3583 11.3583 11.5412 11.5412 11.8788 11.8788 11.9233 11.9233 k =-0.5000 0.1992 0.0171 ( 3144 PWs) bands (ev): -39.2627 -39.2627 -39.2616 -39.2616 -18.2504 -18.2504 -18.2465 -18.2465 -17.7691 -17.7691 -17.7627 -17.7627 -17.7140 -17.7140 -17.7112 -17.7112 -1.1106 -1.1106 2.3244 2.3244 8.2974 8.2974 8.3126 8.3126 8.4311 8.4311 9.3658 9.3658 9.5646 9.5646 11.3645 11.3645 11.5716 11.5716 11.8854 11.8854 11.9308 11.9308 k =-0.5000 0.1992 0.0000 ( 3142 PWs) bands (ev): -39.2627 -39.2627 -39.2616 -39.2616 -18.2504 -18.2504 -18.2465 -18.2465 -17.7688 -17.7688 -17.7630 -17.7630 -17.7134 -17.7134 -17.7118 -17.7118 -1.1120 -1.1120 2.3233 2.3233 8.2974 8.2974 8.3187 8.3187 8.4528 8.4528 9.3662 9.3662 9.5392 9.5392 11.3666 11.3666 11.5822 11.5822 11.8877 11.8877 11.9334 11.9334 k = 0.0000 0.0000 0.7196 ( 3152 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2598 -18.2598 -18.2598 -18.2598 -17.7622 -17.7622 -17.7622 -17.7622 -17.7494 -17.7494 -17.7494 -17.7494 1.0120 1.0120 1.0120 1.0120 6.9816 6.9816 6.9816 6.9816 8.4344 8.4344 8.4344 8.4344 9.0031 9.0031 9.0031 9.0031 12.8109 12.8109 12.8109 12.8109 12.9165 12.9165 k =-0.0156 0.0062 0.7196 ( 3160 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2598 -18.2598 -18.2598 -18.2598 -17.7626 -17.7626 -17.7626 -17.7626 -17.7490 -17.7490 -17.7490 -17.7490 1.0126 1.0126 1.0126 1.0126 6.9767 6.9767 6.9767 6.9767 8.4351 8.4351 8.4351 8.4351 9.0072 9.0072 9.0072 9.0072 12.8077 12.8077 12.8077 12.8077 12.9183 12.9183 k =-0.0312 0.0124 0.7196 ( 3160 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2599 -18.2599 -18.2599 -18.2599 -17.7638 -17.7638 -17.7638 -17.7638 -17.7477 -17.7477 -17.7477 -17.7477 1.0145 1.0145 1.0145 1.0145 6.9622 6.9622 6.9622 6.9622 8.4373 8.4373 8.4373 8.4373 9.0196 9.0196 9.0196 9.0196 12.7981 12.7981 12.7981 12.7981 12.9235 12.9235 k =-0.0469 0.0187 0.7196 ( 3164 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2600 -18.2600 -18.2600 -18.2600 -17.7654 -17.7654 -17.7654 -17.7654 -17.7460 -17.7460 -17.7460 -17.7460 1.0176 1.0176 1.0176 1.0176 6.9386 6.9386 6.9386 6.9386 8.4409 8.4409 8.4409 8.4409 9.0397 9.0397 9.0397 9.0397 12.7822 12.7822 12.7822 12.7822 12.9319 12.9319 k =-0.0625 0.0249 0.7196 ( 3160 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2601 -18.2601 -18.2601 -18.2601 -17.7672 -17.7672 -17.7672 -17.7672 -17.7440 -17.7440 -17.7440 -17.7440 1.0219 1.0219 1.0219 1.0219 6.9066 6.9066 6.9066 6.9066 8.4460 8.4460 8.4460 8.4460 9.0670 9.0670 9.0670 9.0670 12.7603 12.7603 12.7603 12.7603 12.9432 12.9432 k =-0.0781 0.0311 0.7196 ( 3164 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2604 -18.2604 -18.2604 -18.2604 -17.7692 -17.7692 -17.7692 -17.7692 -17.7419 -17.7419 -17.7419 -17.7419 1.0274 1.0274 1.0274 1.0274 6.8670 6.8670 6.8670 6.8670 8.4525 8.4525 8.4525 8.4525 9.1004 9.1004 9.1004 9.1004 12.7329 12.7329 12.7329 12.7329 12.9566 12.9566 k =-0.0938 0.0373 0.7196 ( 3178 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2607 -18.2607 -18.2607 -18.2607 -17.7713 -17.7713 -17.7713 -17.7713 -17.7397 -17.7397 -17.7397 -17.7397 1.0340 1.0340 1.0340 1.0340 6.8209 6.8209 6.8209 6.8209 8.4604 8.4604 8.4604 8.4604 9.1391 9.1391 9.1391 9.1391 12.7003 12.7003 12.7003 12.7003 12.9716 12.9716 k =-0.1094 0.0436 0.7196 ( 3178 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2609 -18.2609 -18.2609 -18.2609 -17.7733 -17.7733 -17.7733 -17.7733 -17.7374 -17.7374 -17.7374 -17.7374 1.0417 1.0417 1.0417 1.0417 6.7694 6.7694 6.7694 6.7694 8.4696 8.4696 8.4696 8.4696 9.1823 9.1823 9.1823 9.1823 12.6632 12.6632 12.6632 12.6632 12.9874 12.9875 k =-0.1250 0.0498 0.7196 ( 3178 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2613 -18.2613 -18.2613 -18.2613 -17.7753 -17.7753 -17.7753 -17.7753 -17.7351 -17.7351 -17.7351 -17.7351 1.0505 1.0505 1.0505 1.0505 6.7133 6.7133 6.7133 6.7133 8.4801 8.4801 8.4801 8.4801 9.2289 9.2289 9.2289 9.2289 12.6219 12.6219 12.6219 12.6219 13.0033 13.0033 k =-0.1406 0.0560 0.7196 ( 3174 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2616 -18.2616 -18.2616 -18.2616 -17.7772 -17.7772 -17.7772 -17.7772 -17.7329 -17.7329 -17.7329 -17.7329 1.0602 1.0602 1.0602 1.0602 6.6537 6.6537 6.6537 6.6537 8.4918 8.4918 8.4918 8.4918 9.2782 9.2782 9.2782 9.2782 12.5771 12.5771 12.5771 12.5771 13.0184 13.0184 k =-0.1562 0.0622 0.7196 ( 3174 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2620 -18.2620 -18.2620 -18.2620 -17.7791 -17.7791 -17.7791 -17.7791 -17.7306 -17.7306 -17.7306 -17.7306 1.0709 1.0709 1.0709 1.0709 6.5914 6.5914 6.5914 6.5914 8.5046 8.5046 8.5046 8.5046 9.3294 9.3294 9.3294 9.3294 12.5294 12.5294 12.5294 12.5294 13.0320 13.0320 k =-0.1719 0.0685 0.7196 ( 3166 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2624 -18.2624 -18.2624 -18.2624 -17.7810 -17.7810 -17.7810 -17.7810 -17.7283 -17.7283 -17.7283 -17.7283 1.0824 1.0824 1.0824 1.0824 6.5272 6.5272 6.5272 6.5272 8.5186 8.5186 8.5186 8.5186 9.3820 9.3820 9.3820 9.3820 12.4794 12.4794 12.4794 12.4794 13.0435 13.0435 k =-0.1875 0.0747 0.7196 ( 3170 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2628 -18.2628 -18.2628 -18.2628 -17.7828 -17.7828 -17.7828 -17.7828 -17.7262 -17.7262 -17.7262 -17.7262 1.0947 1.0947 1.0947 1.0947 6.4619 6.4619 6.4619 6.4619 8.5334 8.5334 8.5334 8.5334 9.4352 9.4352 9.4352 9.4352 12.4274 12.4274 12.4274 12.4274 13.0520 13.0520 k =-0.2031 0.0809 0.7196 ( 3170 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2633 -18.2633 -18.2633 -18.2633 -17.7845 -17.7845 -17.7845 -17.7845 -17.7240 -17.7240 -17.7240 -17.7240 1.1075 1.1075 1.1075 1.1075 6.3960 6.3960 6.3960 6.3960 8.5492 8.5492 8.5492 8.5492 9.4886 9.4886 9.4886 9.4886 12.3742 12.3742 12.3742 12.3742 13.0558 13.0558 k =-0.2188 0.0871 0.7196 ( 3172 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2638 -18.2638 -18.2638 -18.2638 -17.7862 -17.7862 -17.7862 -17.7862 -17.7220 -17.7220 -17.7220 -17.7220 1.1209 1.1209 1.1210 1.1210 6.3303 6.3303 6.3303 6.3303 8.5657 8.5657 8.5657 8.5657 9.5418 9.5418 9.5418 9.5418 12.3202 12.3202 12.3202 12.3202 13.0523 13.0523 k =-0.2344 0.0934 0.7196 ( 3172 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2642 -18.2642 -18.2642 -18.2642 -17.7878 -17.7878 -17.7878 -17.7878 -17.7199 -17.7199 -17.7199 -17.7199 1.1348 1.1348 1.1348 1.1348 6.2652 6.2652 6.2652 6.2652 8.5829 8.5829 8.5829 8.5829 9.5944 9.5944 9.5944 9.5944 12.2659 12.2659 12.2659 12.2659 13.0370 13.0370 k =-0.2500 0.0996 0.7196 ( 3172 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2647 -18.2647 -18.2647 -18.2647 -17.7893 -17.7893 -17.7893 -17.7893 -17.7180 -17.7180 -17.7180 -17.7180 1.1489 1.1489 1.1489 1.1489 6.2012 6.2012 6.2012 6.2012 8.6005 8.6005 8.6005 8.6005 9.6462 9.6462 9.6462 9.6462 12.2117 12.2117 12.2117 12.2117 13.0068 13.0068 k =-0.2656 0.1058 0.7196 ( 3178 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2652 -18.2652 -18.2652 -18.2652 -17.7908 -17.7908 -17.7908 -17.7908 -17.7162 -17.7162 -17.7162 -17.7162 1.1633 1.1633 1.1633 1.1633 6.1387 6.1387 6.1387 6.1387 8.6185 8.6185 8.6185 8.6185 9.6968 9.6968 9.6968 9.6968 12.1582 12.1582 12.1582 12.1582 12.9638 12.9639 k =-0.2812 0.1120 0.7196 ( 3172 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2657 -18.2657 -18.2657 -18.2657 -17.7921 -17.7921 -17.7921 -17.7921 -17.7144 -17.7144 -17.7144 -17.7144 1.1776 1.1776 1.1776 1.1776 6.0783 6.0783 6.0783 6.0783 8.6366 8.6366 8.6366 8.6366 9.7460 9.7460 9.7460 9.7460 12.1057 12.1057 12.1057 12.1057 12.9135 12.9135 k =-0.2969 0.1182 0.7196 ( 3176 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2662 -18.2662 -18.2662 -18.2662 -17.7934 -17.7934 -17.7934 -17.7934 -17.7127 -17.7127 -17.7127 -17.7127 1.1919 1.1919 1.1919 1.1919 6.0203 6.0203 6.0203 6.0203 8.6547 8.6547 8.6547 8.6547 9.7935 9.7935 9.7935 9.7935 12.0546 12.0546 12.0546 12.0546 12.8601 12.8601 k =-0.3125 0.1245 0.7196 ( 3188 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2666 -18.2666 -18.2666 -18.2666 -17.7946 -17.7946 -17.7946 -17.7946 -17.7112 -17.7112 -17.7112 -17.7112 1.2059 1.2059 1.2059 1.2059 5.9650 5.9650 5.9650 5.9650 8.6727 8.6727 8.6727 8.6727 9.8390 9.8390 9.8390 9.8390 12.0054 12.0054 12.0054 12.0054 12.8062 12.8063 k =-0.3281 0.1307 0.7196 ( 3168 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2670 -18.2670 -18.2670 -18.2670 -17.7956 -17.7956 -17.7956 -17.7956 -17.7097 -17.7097 -17.7097 -17.7097 1.2196 1.2196 1.2196 1.2196 5.9129 5.9129 5.9129 5.9129 8.6903 8.6903 8.6903 8.6903 9.8825 9.8825 9.8825 9.8825 11.9584 11.9584 11.9584 11.9584 12.7534 12.7534 k =-0.3438 0.1369 0.7196 ( 3164 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2674 -18.2674 -18.2674 -18.2674 -17.7966 -17.7966 -17.7966 -17.7966 -17.7083 -17.7083 -17.7083 -17.7083 1.2327 1.2327 1.2327 1.2327 5.8641 5.8641 5.8641 5.8641 8.7074 8.7074 8.7074 8.7074 9.9235 9.9235 9.9235 9.9235 11.9141 11.9141 11.9141 11.9141 12.7026 12.7026 k =-0.3594 0.1431 0.7196 ( 3164 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2678 -18.2678 -18.2678 -18.2678 -17.7975 -17.7975 -17.7975 -17.7975 -17.7071 -17.7071 -17.7071 -17.7071 1.2450 1.2450 1.2450 1.2450 5.8191 5.8191 5.8191 5.8191 8.7236 8.7236 8.7236 8.7236 9.9617 9.9617 9.9617 9.9617 11.8727 11.8727 11.8727 11.8727 12.6546 12.6546 k =-0.3750 0.1494 0.7196 ( 3168 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2682 -18.2682 -18.2682 -18.2682 -17.7984 -17.7984 -17.7984 -17.7984 -17.7059 -17.7059 -17.7059 -17.7059 1.2566 1.2566 1.2566 1.2566 5.7779 5.7779 5.7779 5.7779 8.7389 8.7389 8.7389 8.7389 9.9971 9.9971 9.9971 9.9971 11.8346 11.8346 11.8346 11.8346 12.6099 12.6099 k =-0.3906 0.1556 0.7196 ( 3170 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2685 -18.2685 -18.2685 -18.2685 -17.7991 -17.7991 -17.7991 -17.7991 -17.7050 -17.7050 -17.7050 -17.7050 1.2672 1.2672 1.2672 1.2672 5.7411 5.7411 5.7411 5.7411 8.7529 8.7529 8.7529 8.7529 10.0292 10.0292 10.0292 10.0292 11.8001 11.8001 11.8001 11.8001 12.5692 12.5692 k =-0.4062 0.1618 0.7196 ( 3174 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2688 -18.2688 -18.2688 -18.2688 -17.7997 -17.7997 -17.7997 -17.7997 -17.7041 -17.7041 -17.7041 -17.7041 1.2767 1.2767 1.2767 1.2767 5.7086 5.7086 5.7086 5.7086 8.7656 8.7656 8.7656 8.7656 10.0577 10.0577 10.0577 10.0577 11.7696 11.7696 11.7696 11.7696 12.5328 12.5328 k =-0.4219 0.1680 0.7196 ( 3168 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2690 -18.2690 -18.2690 -18.2690 -17.8002 -17.8002 -17.8002 -17.8002 -17.7033 -17.7033 -17.7033 -17.7033 1.2849 1.2849 1.2849 1.2849 5.6808 5.6808 5.6808 5.6808 8.7767 8.7767 8.7767 8.7767 10.0826 10.0826 10.0826 10.0826 11.7433 11.7433 11.7433 11.7433 12.5011 12.5011 k =-0.4375 0.1743 0.7196 ( 3156 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2692 -18.2692 -18.2692 -18.2692 -17.8006 -17.8006 -17.8006 -17.8006 -17.7027 -17.7027 -17.7027 -17.7027 1.2918 1.2918 1.2918 1.2918 5.6578 5.6578 5.6578 5.6578 8.7860 8.7860 8.7860 8.7860 10.1034 10.1034 10.1034 10.1034 11.7214 11.7214 11.7214 11.7214 12.4747 12.4747 k =-0.4531 0.1805 0.7196 ( 3152 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2693 -18.2693 -18.2693 -18.2693 -17.8010 -17.8010 -17.8010 -17.8010 -17.7022 -17.7022 -17.7022 -17.7022 1.2973 1.2973 1.2973 1.2973 5.6398 5.6398 5.6398 5.6398 8.7935 8.7935 8.7935 8.7935 10.1198 10.1198 10.1198 10.1198 11.7042 11.7042 11.7042 11.7042 12.4537 12.4537 k =-0.4688 0.1867 0.7196 ( 3148 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2694 -18.2694 -18.2694 -18.2694 -17.8012 -17.8012 -17.8012 -17.8012 -17.7018 -17.7018 -17.7018 -17.7018 1.3012 1.3012 1.3012 1.3012 5.6269 5.6269 5.6269 5.6269 8.7989 8.7989 8.7989 8.7989 10.1317 10.1317 10.1317 10.1317 11.6917 11.6917 11.6917 11.6917 12.4386 12.4386 k =-0.4844 0.1929 0.7196 ( 3140 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2695 -18.2695 -18.2695 -18.2695 -17.8013 -17.8013 -17.8013 -17.8013 -17.7016 -17.7016 -17.7016 -17.7016 1.3036 1.3036 1.3036 1.3036 5.6191 5.6191 5.6191 5.6191 8.8022 8.8022 8.8022 8.8022 10.1389 10.1389 10.1389 10.1389 11.6842 11.6842 11.6842 11.6842 12.4294 12.4294 k =-0.5000 0.1992 0.7196 ( 3140 PWs) bands (ev): -39.2587 -39.2587 -39.2587 -39.2587 -18.2695 -18.2695 -18.2695 -18.2695 -17.8014 -17.8014 -17.8014 -17.8014 -17.7016 -17.7016 -17.7016 -17.7016 1.3044 1.3044 1.3044 1.3044 5.6164 5.6164 5.6164 5.6164 8.8033 8.8033 8.8033 8.8033 10.1413 10.1413 10.1413 10.1413 11.6817 11.6817 11.6817 11.6817 12.4263 12.4263 Writing output data file ScGe.save init_run : 2.62s CPU 13.24s WALL ( 1 calls) electrons : 918.44s CPU 928.11s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.29s CPU 1.47s WALL ( 1 calls) Called by electrons: c_bands : 918.36s CPU 927.52s WALL ( 1 calls) v_of_rho : 0.13s CPU 0.89s WALL ( 1 calls) v_h : 0.02s CPU 0.02s WALL ( 1 calls) v_xc : 0.10s CPU 0.51s WALL ( 1 calls) newd : 0.40s CPU 0.44s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.10s WALL ( 436 calls) cegterg : 863.77s CPU 869.83s WALL ( 2031 calls) Called by sum_band: Called by *egterg: h_psi : 360.84s CPU 378.77s WALL ( 40789 calls) s_psi : 29.36s CPU 31.36s WALL ( 40789 calls) g_psi : 0.77s CPU 0.93s WALL ( 38322 calls) cdiaghg : 345.79s CPU 336.95s WALL ( 38758 calls) cegterg:over : 65.20s CPU 56.14s WALL ( 38322 calls) cegterg:upda : 8.27s CPU 17.33s WALL ( 38322 calls) cegterg:last : 7.75s CPU 9.54s WALL ( 4631 calls) Called by h_psi: h_psi:vloc : 296.94s CPU 314.87s WALL ( 40789 calls) h_psi:vnl : 63.60s CPU 62.93s WALL ( 40789 calls) add_vuspsi : 16.59s CPU 25.09s WALL ( 40789 calls) General routines calbec : 46.90s CPU 37.59s WALL ( 40789 calls) fft : 0.16s CPU 1.35s WALL ( 19 calls) ffts : 0.01s CPU 0.02s WALL ( 4 calls) fftw : 282.00s CPU 293.29s WALL ( 2055924 calls) interpolate : 0.03s CPU 0.05s WALL ( 4 calls) davcio : 0.03s CPU 3.96s WALL ( 872 calls) Parallel routines fft_scatter : 179.77s CPU 184.08s WALL ( 2055947 calls) PWSCF : 16m16.27s CPU 19m35.33s WALL This run was terminated on: 7:32: 0 21Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=