Program PWSCF v.5.1.1 starts on 21Jul2015 at 4:12:58 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: ./SnSe.save/ file Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 37 28 8 1021 680 108 Max 38 29 9 1026 692 113 Sum 1799 1365 403 49075 32947 5253 bravais-lattice index = 14 lattice parameter (alat) = 11.7856 a.u. unit-cell volume = 735.0178 (a.u.)^3 number of atoms/cell = 4 number of atomic types = 2 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 48.0000 Ry charge density cutoff = 250.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 11.785556 celldm(2)= 1.000000 celldm(3)= 0.692359 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= -0.761207 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( -0.761207 0.648509 0.000000 ) a(3) = ( 0.000000 0.000000 0.692359 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 1.173779 -0.000000 ) b(2) = ( 0.000000 1.541998 -0.000000 ) b(3) = ( 0.000000 0.000000 1.444337 ) PseudoPot. # 1 for Sn read from file: /home/autes/Pseudo/Sn.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 9499e19b89e678f7f9f46ad7de03aa82 Pseudo is Ultrasoft + core correction, Zval = 14.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Se read from file: /home/autes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Sn 14.00 118.71000 Sn( 1.00) Se 6.00 78.96000 Se( 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= 392 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 2) = ( 0.0067594 0.0183571 -0.0000000), wk = 0.0025510 k( 3) = ( 0.0135189 0.0367142 -0.0000000), wk = 0.0025510 k( 4) = ( 0.0202783 0.0550713 -0.0000000), wk = 0.0025510 k( 5) = ( 0.0270377 0.0734285 -0.0000000), wk = 0.0025510 k( 6) = ( 0.0337972 0.0917856 -0.0000000), wk = 0.0025510 k( 7) = ( 0.0405566 0.1101427 -0.0000000), wk = 0.0025510 k( 8) = ( 0.0473160 0.1284998 -0.0000000), wk = 0.0025510 k( 9) = ( 0.0540755 0.1468570 -0.0000000), wk = 0.0025510 k( 10) = ( 0.0608349 0.1652141 -0.0000000), wk = 0.0025510 k( 11) = ( 0.0675943 0.1835712 -0.0000000), wk = 0.0025510 k( 12) = ( 0.0743538 0.2019283 -0.0000000), wk = 0.0025510 k( 13) = ( 0.0811132 0.2202854 -0.0000000), wk = 0.0025510 k( 14) = ( 0.0878726 0.2386425 -0.0000000), wk = 0.0025510 k( 15) = ( 0.0946321 0.2569997 -0.0000000), wk = 0.0025510 k( 16) = ( 0.1013915 0.2753568 -0.0000000), wk = 0.0025510 k( 17) = ( 0.1081509 0.2937139 -0.0000000), wk = 0.0025510 k( 18) = ( 0.1149104 0.3120710 -0.0000000), wk = 0.0025510 k( 19) = ( 0.1216698 0.3304281 -0.0000000), wk = 0.0025510 k( 20) = ( 0.1284293 0.3487853 -0.0000000), wk = 0.0025510 k( 21) = ( 0.1351887 0.3671424 -0.0000000), wk = 0.0025510 k( 22) = ( 0.1419481 0.3854995 -0.0000000), wk = 0.0025510 k( 23) = ( 0.1487076 0.4038566 -0.0000000), wk = 0.0025510 k( 24) = ( 0.1554670 0.4222137 -0.0000000), wk = 0.0025510 k( 25) = ( 0.1622264 0.4405708 -0.0000000), wk = 0.0025510 k( 26) = ( 0.1689859 0.4589280 -0.0000000), wk = 0.0025510 k( 27) = ( 0.1757453 0.4772851 -0.0000000), wk = 0.0025510 k( 28) = ( 0.1825047 0.4956422 -0.0000000), wk = 0.0025510 k( 29) = ( 0.1892642 0.5139993 -0.0000000), wk = 0.0025510 k( 30) = ( 0.1960236 0.5323564 -0.0000000), wk = 0.0025510 k( 31) = ( 0.2027830 0.5507136 -0.0000000), wk = 0.0025510 k( 32) = ( 0.2095425 0.5690707 -0.0000000), wk = 0.0025510 k( 33) = ( 0.2163019 0.5874278 -0.0000000), wk = 0.0025510 k( 34) = ( 0.2230613 0.6057849 -0.0000000), wk = 0.0025510 k( 35) = ( 0.2298208 0.6241420 -0.0000000), wk = 0.0025510 k( 36) = ( 0.2365802 0.6424992 -0.0000000), wk = 0.0025510 k( 37) = ( 0.2433396 0.6608563 -0.0000000), wk = 0.0025510 k( 38) = ( 0.2500991 0.6792134 -0.0000000), wk = 0.0025510 k( 39) = ( 0.2568585 0.6975705 -0.0000000), wk = 0.0025510 k( 40) = ( 0.2636179 0.7159276 -0.0000000), wk = 0.0025510 k( 41) = ( 0.2703774 0.7342848 -0.0000000), wk = 0.0025510 k( 42) = ( 0.2771368 0.7526419 -0.0000000), wk = 0.0025510 k( 43) = ( 0.2838963 0.7709990 -0.0000000), wk = 0.0025510 k( 44) = ( 0.2838963 0.7709990 -0.0000000), wk = 0.0025510 k( 45) = ( 0.2649698 0.7709990 -0.0000000), wk = 0.0025510 k( 46) = ( 0.2460434 0.7709990 -0.0000000), wk = 0.0025510 k( 47) = ( 0.2271170 0.7709990 -0.0000000), wk = 0.0025510 k( 48) = ( 0.2081906 0.7709990 -0.0000000), wk = 0.0025510 k( 49) = ( 0.1892642 0.7709990 -0.0000000), wk = 0.0025510 k( 50) = ( 0.1703378 0.7709990 -0.0000000), wk = 0.0025510 k( 51) = ( 0.1514113 0.7709990 -0.0000000), wk = 0.0025510 k( 52) = ( 0.1324849 0.7709990 -0.0000000), wk = 0.0025510 k( 53) = ( 0.1135585 0.7709990 -0.0000000), wk = 0.0025510 k( 54) = ( 0.0946321 0.7709990 -0.0000000), wk = 0.0025510 k( 55) = ( 0.0757057 0.7709990 -0.0000000), wk = 0.0025510 k( 56) = ( 0.0567793 0.7709990 -0.0000000), wk = 0.0025510 k( 57) = ( 0.0378528 0.7709990 -0.0000000), wk = 0.0025510 k( 58) = ( 0.0189264 0.7709990 -0.0000000), wk = 0.0025510 k( 59) = ( 0.0000000 0.7709990 -0.0000000), wk = 0.0025510 k( 60) = ( 0.0000000 0.7709990 -0.0000000), wk = 0.0025510 k( 61) = ( 0.0000000 0.7709990 0.0195181), wk = 0.0025510 k( 62) = ( 0.0000000 0.7709990 0.0390361), wk = 0.0025510 k( 63) = ( 0.0000000 0.7709990 0.0585542), wk = 0.0025510 k( 64) = ( 0.0000000 0.7709990 0.0780723), wk = 0.0025510 k( 65) = ( 0.0000000 0.7709990 0.0975904), wk = 0.0025510 k( 66) = ( 0.0000000 0.7709990 0.1171084), wk = 0.0025510 k( 67) = ( 0.0000000 0.7709990 0.1366265), wk = 0.0025510 k( 68) = ( 0.0000000 0.7709990 0.1561446), wk = 0.0025510 k( 69) = ( 0.0000000 0.7709990 0.1756626), wk = 0.0025510 k( 70) = ( 0.0000000 0.7709990 0.1951807), wk = 0.0025510 k( 71) = ( 0.0000000 0.7709990 0.2146988), wk = 0.0025510 k( 72) = ( 0.0000000 0.7709990 0.2342168), wk = 0.0025510 k( 73) = ( 0.0000000 0.7709990 0.2537349), wk = 0.0025510 k( 74) = ( 0.0000000 0.7709990 0.2732530), wk = 0.0025510 k( 75) = ( 0.0000000 0.7709990 0.2927711), wk = 0.0025510 k( 76) = ( 0.0000000 0.7709990 0.3122891), wk = 0.0025510 k( 77) = ( 0.0000000 0.7709990 0.3318072), wk = 0.0025510 k( 78) = ( 0.0000000 0.7709990 0.3513253), wk = 0.0025510 k( 79) = ( 0.0000000 0.7709990 0.3708434), wk = 0.0025510 k( 80) = ( 0.0000000 0.7709990 0.3903614), wk = 0.0025510 k( 81) = ( 0.0000000 0.7709990 0.4098795), wk = 0.0025510 k( 82) = ( 0.0000000 0.7709990 0.4293976), wk = 0.0025510 k( 83) = ( 0.0000000 0.7709990 0.4489156), wk = 0.0025510 k( 84) = ( 0.0000000 0.7709990 0.4684337), wk = 0.0025510 k( 85) = ( 0.0000000 0.7709990 0.4879518), wk = 0.0025510 k( 86) = ( 0.0000000 0.7709990 0.5074698), wk = 0.0025510 k( 87) = ( 0.0000000 0.7709990 0.5269879), wk = 0.0025510 k( 88) = ( 0.0000000 0.7709990 0.5465060), wk = 0.0025510 k( 89) = ( 0.0000000 0.7709990 0.5660241), wk = 0.0025510 k( 90) = ( 0.0000000 0.7709990 0.5855421), wk = 0.0025510 k( 91) = ( 0.0000000 0.7709990 0.6050602), wk = 0.0025510 k( 92) = ( 0.0000000 0.7709990 0.6245783), wk = 0.0025510 k( 93) = ( 0.0000000 0.7709990 0.6440963), wk = 0.0025510 k( 94) = ( 0.0000000 0.7709990 0.6636144), wk = 0.0025510 k( 95) = ( 0.0000000 0.7709990 0.6831325), wk = 0.0025510 k( 96) = ( 0.0000000 0.7709990 0.7026506), wk = 0.0025510 k( 97) = ( 0.0000000 0.7709990 0.7221686), wk = 0.0025510 k( 98) = ( 0.0000000 0.7709990 0.7221686), wk = 0.0025510 k( 99) = ( 0.0189264 0.7709990 0.7221686), wk = 0.0025510 k( 100) = ( 0.0378528 0.7709990 0.7221686), wk = 0.0025510 k( 101) = ( 0.0567793 0.7709990 0.7221686), wk = 0.0025510 k( 102) = ( 0.0757057 0.7709990 0.7221686), wk = 0.0025510 k( 103) = ( 0.0946321 0.7709990 0.7221686), wk = 0.0025510 k( 104) = ( 0.1135585 0.7709990 0.7221686), wk = 0.0025510 k( 105) = ( 0.1324849 0.7709990 0.7221686), wk = 0.0025510 k( 106) = ( 0.1514113 0.7709990 0.7221686), wk = 0.0025510 k( 107) = ( 0.1703378 0.7709990 0.7221686), wk = 0.0025510 k( 108) = ( 0.1892642 0.7709990 0.7221686), wk = 0.0025510 k( 109) = ( 0.2081906 0.7709990 0.7221686), wk = 0.0025510 k( 110) = ( 0.2271170 0.7709990 0.7221686), wk = 0.0025510 k( 111) = ( 0.2460434 0.7709990 0.7221686), wk = 0.0025510 k( 112) = ( 0.2649698 0.7709990 0.7221686), wk = 0.0025510 k( 113) = ( 0.2838963 0.7709990 0.7221686), wk = 0.0025510 k( 114) = ( 0.2838963 0.7709990 0.7221686), wk = 0.0025510 k( 115) = ( 0.2771368 0.7526419 0.7221686), wk = 0.0025510 k( 116) = ( 0.2703774 0.7342848 0.7221686), wk = 0.0025510 k( 117) = ( 0.2636179 0.7159276 0.7221686), wk = 0.0025510 k( 118) = ( 0.2568585 0.6975705 0.7221686), wk = 0.0025510 k( 119) = ( 0.2500991 0.6792134 0.7221686), wk = 0.0025510 k( 120) = ( 0.2433396 0.6608563 0.7221686), wk = 0.0025510 k( 121) = ( 0.2365802 0.6424992 0.7221686), wk = 0.0025510 k( 122) = ( 0.2298208 0.6241420 0.7221686), wk = 0.0025510 k( 123) = ( 0.2230613 0.6057849 0.7221686), wk = 0.0025510 k( 124) = ( 0.2163019 0.5874278 0.7221686), wk = 0.0025510 k( 125) = ( 0.2095425 0.5690707 0.7221686), wk = 0.0025510 k( 126) = ( 0.2027830 0.5507136 0.7221686), wk = 0.0025510 k( 127) = ( 0.1960236 0.5323564 0.7221686), wk = 0.0025510 k( 128) = ( 0.1892642 0.5139993 0.7221686), wk = 0.0025510 k( 129) = ( 0.1825047 0.4956422 0.7221686), wk = 0.0025510 k( 130) = ( 0.1757453 0.4772851 0.7221686), wk = 0.0025510 k( 131) = ( 0.1689859 0.4589280 0.7221686), wk = 0.0025510 k( 132) = ( 0.1622264 0.4405708 0.7221686), wk = 0.0025510 k( 133) = ( 0.1554670 0.4222137 0.7221686), wk = 0.0025510 k( 134) = ( 0.1487076 0.4038566 0.7221686), wk = 0.0025510 k( 135) = ( 0.1419481 0.3854995 0.7221686), wk = 0.0025510 k( 136) = ( 0.1351887 0.3671424 0.7221686), wk = 0.0025510 k( 137) = ( 0.1284293 0.3487853 0.7221686), wk = 0.0025510 k( 138) = ( 0.1216698 0.3304281 0.7221686), wk = 0.0025510 k( 139) = ( 0.1149104 0.3120710 0.7221686), wk = 0.0025510 k( 140) = ( 0.1081509 0.2937139 0.7221686), wk = 0.0025510 k( 141) = ( 0.1013915 0.2753568 0.7221686), wk = 0.0025510 k( 142) = ( 0.0946321 0.2569997 0.7221686), wk = 0.0025510 k( 143) = ( 0.0878726 0.2386425 0.7221686), wk = 0.0025510 k( 144) = ( 0.0811132 0.2202854 0.7221686), wk = 0.0025510 k( 145) = ( 0.0743538 0.2019283 0.7221686), wk = 0.0025510 k( 146) = ( 0.0675943 0.1835712 0.7221686), wk = 0.0025510 k( 147) = ( 0.0608349 0.1652141 0.7221686), wk = 0.0025510 k( 148) = ( 0.0540755 0.1468570 0.7221686), wk = 0.0025510 k( 149) = ( 0.0473160 0.1284998 0.7221686), wk = 0.0025510 k( 150) = ( 0.0405566 0.1101427 0.7221686), wk = 0.0025510 k( 151) = ( 0.0337972 0.0917856 0.7221686), wk = 0.0025510 k( 152) = ( 0.0270377 0.0734285 0.7221686), wk = 0.0025510 k( 153) = ( 0.0202783 0.0550713 0.7221686), wk = 0.0025510 k( 154) = ( 0.0135189 0.0367142 0.7221686), wk = 0.0025510 k( 155) = ( 0.0067594 0.0183571 0.7221686), wk = 0.0025510 k( 156) = ( 0.0000000 0.0000000 0.7221686), wk = 0.0025510 k( 157) = ( 0.0000000 0.0000000 0.7221686), wk = 0.0025510 k( 158) = ( 0.0000000 0.0000000 0.7026506), wk = 0.0025510 k( 159) = ( 0.0000000 0.0000000 0.6831325), wk = 0.0025510 k( 160) = ( 0.0000000 0.0000000 0.6636144), wk = 0.0025510 k( 161) = ( 0.0000000 0.0000000 0.6440963), wk = 0.0025510 k( 162) = ( 0.0000000 0.0000000 0.6245783), wk = 0.0025510 k( 163) = ( 0.0000000 0.0000000 0.6050602), wk = 0.0025510 k( 164) = ( 0.0000000 0.0000000 0.5855421), wk = 0.0025510 k( 165) = ( 0.0000000 0.0000000 0.5660241), wk = 0.0025510 k( 166) = ( 0.0000000 0.0000000 0.5465060), wk = 0.0025510 k( 167) = ( 0.0000000 0.0000000 0.5269879), wk = 0.0025510 k( 168) = ( 0.0000000 0.0000000 0.5074698), wk = 0.0025510 k( 169) = ( 0.0000000 0.0000000 0.4879518), wk = 0.0025510 k( 170) = ( 0.0000000 0.0000000 0.4684337), wk = 0.0025510 k( 171) = ( 0.0000000 0.0000000 0.4489156), wk = 0.0025510 k( 172) = ( 0.0000000 0.0000000 0.4293976), wk = 0.0025510 k( 173) = ( 0.0000000 0.0000000 0.4098795), wk = 0.0025510 k( 174) = ( 0.0000000 0.0000000 0.3903614), wk = 0.0025510 k( 175) = ( 0.0000000 0.0000000 0.3708434), wk = 0.0025510 k( 176) = ( 0.0000000 0.0000000 0.3513253), wk = 0.0025510 k( 177) = ( 0.0000000 0.0000000 0.3318072), wk = 0.0025510 k( 178) = ( 0.0000000 0.0000000 0.3122891), wk = 0.0025510 k( 179) = ( 0.0000000 0.0000000 0.2927711), wk = 0.0025510 k( 180) = ( 0.0000000 0.0000000 0.2732530), wk = 0.0025510 k( 181) = ( 0.0000000 0.0000000 0.2537349), wk = 0.0025510 k( 182) = ( 0.0000000 0.0000000 0.2342168), wk = 0.0025510 k( 183) = ( 0.0000000 0.0000000 0.2146988), wk = 0.0025510 k( 184) = ( 0.0000000 0.0000000 0.1951807), wk = 0.0025510 k( 185) = ( 0.0000000 0.0000000 0.1756626), wk = 0.0025510 k( 186) = ( 0.0000000 0.0000000 0.1561446), wk = 0.0025510 k( 187) = ( 0.0000000 0.0000000 0.1366265), wk = 0.0025510 k( 188) = ( 0.0000000 0.0000000 0.1171084), wk = 0.0025510 k( 189) = ( 0.0000000 0.0000000 0.0975904), wk = 0.0025510 k( 190) = ( 0.0000000 0.0000000 0.0780723), wk = 0.0025510 k( 191) = ( 0.0000000 0.0000000 0.0585542), wk = 0.0025510 k( 192) = ( 0.0000000 0.0000000 0.0390361), wk = 0.0025510 k( 193) = ( 0.0000000 0.0000000 0.0195181), wk = 0.0025510 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 196) = ( -0.0185185 0.0068189 -0.0000000), wk = 0.0025510 k( 197) = ( -0.0370370 0.0136377 -0.0000000), wk = 0.0025510 k( 198) = ( -0.0555556 0.0204566 -0.0000000), wk = 0.0025510 k( 199) = ( -0.0740741 0.0272755 -0.0000000), wk = 0.0025510 k( 200) = ( -0.0925926 0.0340943 -0.0000000), wk = 0.0025510 k( 201) = ( -0.1111111 0.0409132 -0.0000000), wk = 0.0025510 k( 202) = ( -0.1296296 0.0477321 -0.0000000), wk = 0.0025510 k( 203) = ( -0.1481482 0.0545509 -0.0000000), wk = 0.0025510 k( 204) = ( -0.1666667 0.0613698 -0.0000000), wk = 0.0025510 k( 205) = ( -0.1851852 0.0681887 -0.0000000), wk = 0.0025510 k( 206) = ( -0.2037037 0.0750075 -0.0000000), wk = 0.0025510 k( 207) = ( -0.2222222 0.0818264 -0.0000000), wk = 0.0025510 k( 208) = ( -0.2407407 0.0886452 -0.0000000), wk = 0.0025510 k( 209) = ( -0.2592593 0.0954641 -0.0000000), wk = 0.0025510 k( 210) = ( -0.2777778 0.1022830 -0.0000000), wk = 0.0025510 k( 211) = ( -0.2962963 0.1091018 -0.0000000), wk = 0.0025510 k( 212) = ( -0.3148148 0.1159207 -0.0000000), wk = 0.0025510 k( 213) = ( -0.3333333 0.1227396 -0.0000000), wk = 0.0025510 k( 214) = ( -0.3518519 0.1295584 -0.0000000), wk = 0.0025510 k( 215) = ( -0.3703704 0.1363773 -0.0000000), wk = 0.0025510 k( 216) = ( -0.3888889 0.1431962 -0.0000000), wk = 0.0025510 k( 217) = ( -0.4074074 0.1500150 -0.0000000), wk = 0.0025510 k( 218) = ( -0.4259259 0.1568339 -0.0000000), wk = 0.0025510 k( 219) = ( -0.4444444 0.1636528 -0.0000000), wk = 0.0025510 k( 220) = ( -0.4629630 0.1704716 -0.0000000), wk = 0.0025510 k( 221) = ( -0.4814815 0.1772905 -0.0000000), wk = 0.0025510 k( 222) = ( -0.5000000 0.1841094 -0.0000000), wk = 0.0025510 k( 223) = ( -0.5000000 0.1841094 -0.0000000), wk = 0.0025510 k( 224) = ( -0.4932468 0.2024497 -0.0000000), wk = 0.0025510 k( 225) = ( -0.4864935 0.2207899 -0.0000000), wk = 0.0025510 k( 226) = ( -0.4797403 0.2391303 -0.0000000), wk = 0.0025510 k( 227) = ( -0.4729870 0.2574706 -0.0000000), wk = 0.0025510 k( 228) = ( -0.4662338 0.2758109 -0.0000000), wk = 0.0025510 k( 229) = ( -0.4594805 0.2941512 -0.0000000), wk = 0.0025510 k( 230) = ( -0.4527273 0.3124915 -0.0000000), wk = 0.0025510 k( 231) = ( -0.4459741 0.3308318 -0.0000000), wk = 0.0025510 k( 232) = ( -0.4392208 0.3491721 -0.0000000), wk = 0.0025510 k( 233) = ( -0.4324676 0.3675124 -0.0000000), wk = 0.0025510 k( 234) = ( -0.4257143 0.3858527 -0.0000000), wk = 0.0025510 k( 235) = ( -0.4189611 0.4041930 -0.0000000), wk = 0.0025510 k( 236) = ( -0.4122078 0.4225333 -0.0000000), wk = 0.0025510 k( 237) = ( -0.4054546 0.4408736 -0.0000000), wk = 0.0025510 k( 238) = ( -0.3987014 0.4592139 -0.0000000), wk = 0.0025510 k( 239) = ( -0.3919481 0.4775542 -0.0000000), wk = 0.0025510 k( 240) = ( -0.3851949 0.4958945 -0.0000000), wk = 0.0025510 k( 241) = ( -0.3784416 0.5142348 -0.0000000), wk = 0.0025510 k( 242) = ( -0.3716884 0.5325751 -0.0000000), wk = 0.0025510 k( 243) = ( -0.3649352 0.5509154 -0.0000000), wk = 0.0025510 k( 244) = ( -0.3581819 0.5692557 -0.0000000), wk = 0.0025510 k( 245) = ( -0.3514287 0.5875960 -0.0000000), wk = 0.0025510 k( 246) = ( -0.3446754 0.6059363 -0.0000000), wk = 0.0025510 k( 247) = ( -0.3379222 0.6242766 -0.0000000), wk = 0.0025510 k( 248) = ( -0.3311690 0.6426169 -0.0000000), wk = 0.0025510 k( 249) = ( -0.3244157 0.6609572 -0.0000000), wk = 0.0025510 k( 250) = ( -0.3176625 0.6792975 -0.0000000), wk = 0.0025510 k( 251) = ( -0.3109092 0.6976378 -0.0000000), wk = 0.0025510 k( 252) = ( -0.3041560 0.7159781 -0.0000000), wk = 0.0025510 k( 253) = ( -0.2974027 0.7343184 -0.0000000), wk = 0.0025510 k( 254) = ( -0.2906495 0.7526587 -0.0000000), wk = 0.0025510 k( 255) = ( -0.2838963 0.7709990 -0.0000000), wk = 0.0025510 k( 256) = ( -0.2838963 0.7709990 -0.0000000), wk = 0.0025510 k( 257) = ( -0.2838963 0.7709990 0.0195181), wk = 0.0025510 k( 258) = ( -0.2838963 0.7709990 0.0390361), wk = 0.0025510 k( 259) = ( -0.2838963 0.7709990 0.0585542), wk = 0.0025510 k( 260) = ( -0.2838963 0.7709990 0.0780723), wk = 0.0025510 k( 261) = ( -0.2838963 0.7709990 0.0975904), wk = 0.0025510 k( 262) = ( -0.2838963 0.7709990 0.1171084), wk = 0.0025510 k( 263) = ( -0.2838963 0.7709990 0.1366265), wk = 0.0025510 k( 264) = ( -0.2838963 0.7709990 0.1561446), wk = 0.0025510 k( 265) = ( -0.2838963 0.7709990 0.1756626), wk = 0.0025510 k( 266) = ( -0.2838963 0.7709990 0.1951807), wk = 0.0025510 k( 267) = ( -0.2838963 0.7709990 0.2146988), wk = 0.0025510 k( 268) = ( -0.2838963 0.7709990 0.2342168), wk = 0.0025510 k( 269) = ( -0.2838963 0.7709990 0.2537349), wk = 0.0025510 k( 270) = ( -0.2838963 0.7709990 0.2732530), wk = 0.0025510 k( 271) = ( -0.2838963 0.7709990 0.2927711), wk = 0.0025510 k( 272) = ( -0.2838963 0.7709990 0.3122891), wk = 0.0025510 k( 273) = ( -0.2838963 0.7709990 0.3318072), wk = 0.0025510 k( 274) = ( -0.2838963 0.7709990 0.3513253), wk = 0.0025510 k( 275) = ( -0.2838963 0.7709990 0.3708434), wk = 0.0025510 k( 276) = ( -0.2838963 0.7709990 0.3903614), wk = 0.0025510 k( 277) = ( -0.2838963 0.7709990 0.4098795), wk = 0.0025510 k( 278) = ( -0.2838963 0.7709990 0.4293976), wk = 0.0025510 k( 279) = ( -0.2838963 0.7709990 0.4489156), wk = 0.0025510 k( 280) = ( -0.2838963 0.7709990 0.4684337), wk = 0.0025510 k( 281) = ( -0.2838963 0.7709990 0.4879518), wk = 0.0025510 k( 282) = ( -0.2838963 0.7709990 0.5074698), wk = 0.0025510 k( 283) = ( -0.2838963 0.7709990 0.5269879), wk = 0.0025510 k( 284) = ( -0.2838963 0.7709990 0.5465060), wk = 0.0025510 k( 285) = ( -0.2838963 0.7709990 0.5660241), wk = 0.0025510 k( 286) = ( -0.2838963 0.7709990 0.5855421), wk = 0.0025510 k( 287) = ( -0.2838963 0.7709990 0.6050602), wk = 0.0025510 k( 288) = ( -0.2838963 0.7709990 0.6245783), wk = 0.0025510 k( 289) = ( -0.2838963 0.7709990 0.6440963), wk = 0.0025510 k( 290) = ( -0.2838963 0.7709990 0.6636144), wk = 0.0025510 k( 291) = ( -0.2838963 0.7709990 0.6831325), wk = 0.0025510 k( 292) = ( -0.2838963 0.7709990 0.7026506), wk = 0.0025510 k( 293) = ( -0.2838963 0.7709990 0.7221686), wk = 0.0025510 k( 294) = ( -0.2838963 0.7709990 0.7221686), wk = 0.0025510 k( 295) = ( -0.2906495 0.7526587 0.7221686), wk = 0.0025510 k( 296) = ( -0.2974027 0.7343184 0.7221686), wk = 0.0025510 k( 297) = ( -0.3041560 0.7159781 0.7221686), wk = 0.0025510 k( 298) = ( -0.3109092 0.6976378 0.7221686), wk = 0.0025510 k( 299) = ( -0.3176625 0.6792975 0.7221686), wk = 0.0025510 k( 300) = ( -0.3244157 0.6609572 0.7221686), wk = 0.0025510 k( 301) = ( -0.3311690 0.6426169 0.7221686), wk = 0.0025510 k( 302) = ( -0.3379222 0.6242766 0.7221686), wk = 0.0025510 k( 303) = ( -0.3446754 0.6059363 0.7221686), wk = 0.0025510 k( 304) = ( -0.3514287 0.5875960 0.7221686), wk = 0.0025510 k( 305) = ( -0.3581819 0.5692557 0.7221686), wk = 0.0025510 k( 306) = ( -0.3649352 0.5509154 0.7221686), wk = 0.0025510 k( 307) = ( -0.3716884 0.5325751 0.7221686), wk = 0.0025510 k( 308) = ( -0.3784416 0.5142348 0.7221686), wk = 0.0025510 k( 309) = ( -0.3851949 0.4958945 0.7221686), wk = 0.0025510 k( 310) = ( -0.3919481 0.4775542 0.7221686), wk = 0.0025510 k( 311) = ( -0.3987014 0.4592139 0.7221686), wk = 0.0025510 k( 312) = ( -0.4054546 0.4408736 0.7221686), wk = 0.0025510 k( 313) = ( -0.4122078 0.4225333 0.7221686), wk = 0.0025510 k( 314) = ( -0.4189611 0.4041930 0.7221686), wk = 0.0025510 k( 315) = ( -0.4257143 0.3858527 0.7221686), wk = 0.0025510 k( 316) = ( -0.4324676 0.3675124 0.7221686), wk = 0.0025510 k( 317) = ( -0.4392208 0.3491721 0.7221686), wk = 0.0025510 k( 318) = ( -0.4459741 0.3308318 0.7221686), wk = 0.0025510 k( 319) = ( -0.4527273 0.3124915 0.7221686), wk = 0.0025510 k( 320) = ( -0.4594805 0.2941512 0.7221686), wk = 0.0025510 k( 321) = ( -0.4662338 0.2758109 0.7221686), wk = 0.0025510 k( 322) = ( -0.4729870 0.2574706 0.7221686), wk = 0.0025510 k( 323) = ( -0.4797403 0.2391303 0.7221686), wk = 0.0025510 k( 324) = ( -0.4864935 0.2207899 0.7221686), wk = 0.0025510 k( 325) = ( -0.4932468 0.2024497 0.7221686), wk = 0.0025510 k( 326) = ( -0.5000000 0.1841094 0.7221686), wk = 0.0025510 k( 327) = ( -0.5000000 0.1841094 0.7221686), wk = 0.0025510 k( 328) = ( -0.5000000 0.1841094 0.7026506), wk = 0.0025510 k( 329) = ( -0.5000000 0.1841094 0.6831325), wk = 0.0025510 k( 330) = ( -0.5000000 0.1841094 0.6636144), wk = 0.0025510 k( 331) = ( -0.5000000 0.1841094 0.6440963), wk = 0.0025510 k( 332) = ( -0.5000000 0.1841094 0.6245783), wk = 0.0025510 k( 333) = ( -0.5000000 0.1841094 0.6050602), wk = 0.0025510 k( 334) = ( -0.5000000 0.1841094 0.5855421), wk = 0.0025510 k( 335) = ( -0.5000000 0.1841094 0.5660241), wk = 0.0025510 k( 336) = ( -0.5000000 0.1841094 0.5465060), wk = 0.0025510 k( 337) = ( -0.5000000 0.1841094 0.5269879), wk = 0.0025510 k( 338) = ( -0.5000000 0.1841094 0.5074698), wk = 0.0025510 k( 339) = ( -0.5000000 0.1841094 0.4879518), wk = 0.0025510 k( 340) = ( -0.5000000 0.1841094 0.4684337), wk = 0.0025510 k( 341) = ( -0.5000000 0.1841094 0.4489156), wk = 0.0025510 k( 342) = ( -0.5000000 0.1841094 0.4293976), wk = 0.0025510 k( 343) = ( -0.5000000 0.1841094 0.4098795), wk = 0.0025510 k( 344) = ( -0.5000000 0.1841094 0.3903614), wk = 0.0025510 k( 345) = ( -0.5000000 0.1841094 0.3708434), wk = 0.0025510 k( 346) = ( -0.5000000 0.1841094 0.3513253), wk = 0.0025510 k( 347) = ( -0.5000000 0.1841094 0.3318072), wk = 0.0025510 k( 348) = ( -0.5000000 0.1841094 0.3122891), wk = 0.0025510 k( 349) = ( -0.5000000 0.1841094 0.2927711), wk = 0.0025510 k( 350) = ( -0.5000000 0.1841094 0.2732530), wk = 0.0025510 k( 351) = ( -0.5000000 0.1841094 0.2537349), wk = 0.0025510 k( 352) = ( -0.5000000 0.1841094 0.2342168), wk = 0.0025510 k( 353) = ( -0.5000000 0.1841094 0.2146988), wk = 0.0025510 k( 354) = ( -0.5000000 0.1841094 0.1951807), wk = 0.0025510 k( 355) = ( -0.5000000 0.1841094 0.1756626), wk = 0.0025510 k( 356) = ( -0.5000000 0.1841094 0.1561446), wk = 0.0025510 k( 357) = ( -0.5000000 0.1841094 0.1366265), wk = 0.0025510 k( 358) = ( -0.5000000 0.1841094 0.1171084), wk = 0.0025510 k( 359) = ( -0.5000000 0.1841094 0.0975904), wk = 0.0025510 k( 360) = ( -0.5000000 0.1841094 0.0780723), wk = 0.0025510 k( 361) = ( -0.5000000 0.1841094 0.0585542), wk = 0.0025510 k( 362) = ( -0.5000000 0.1841094 0.0390361), wk = 0.0025510 k( 363) = ( -0.5000000 0.1841094 0.0195181), wk = 0.0025510 k( 364) = ( -0.5000000 0.1841094 -0.0000000), wk = 0.0025510 k( 365) = ( 0.0000000 0.0000000 0.7221686), wk = 0.0025510 k( 366) = ( -0.0185185 0.0068189 0.7221686), wk = 0.0025510 k( 367) = ( -0.0370370 0.0136377 0.7221686), wk = 0.0025510 k( 368) = ( -0.0555556 0.0204566 0.7221686), wk = 0.0025510 k( 369) = ( -0.0740741 0.0272755 0.7221686), wk = 0.0025510 k( 370) = ( -0.0925926 0.0340943 0.7221686), wk = 0.0025510 k( 371) = ( -0.1111111 0.0409132 0.7221686), wk = 0.0025510 k( 372) = ( -0.1296296 0.0477321 0.7221686), wk = 0.0025510 k( 373) = ( -0.1481482 0.0545509 0.7221686), wk = 0.0025510 k( 374) = ( -0.1666667 0.0613698 0.7221686), wk = 0.0025510 k( 375) = ( -0.1851852 0.0681887 0.7221686), wk = 0.0025510 k( 376) = ( -0.2037037 0.0750075 0.7221686), wk = 0.0025510 k( 377) = ( -0.2222222 0.0818264 0.7221686), wk = 0.0025510 k( 378) = ( -0.2407407 0.0886452 0.7221686), wk = 0.0025510 k( 379) = ( -0.2592593 0.0954641 0.7221686), wk = 0.0025510 k( 380) = ( -0.2777778 0.1022830 0.7221686), wk = 0.0025510 k( 381) = ( -0.2962963 0.1091018 0.7221686), wk = 0.0025510 k( 382) = ( -0.3148148 0.1159207 0.7221686), wk = 0.0025510 k( 383) = ( -0.3333333 0.1227396 0.7221686), wk = 0.0025510 k( 384) = ( -0.3518519 0.1295584 0.7221686), wk = 0.0025510 k( 385) = ( -0.3703704 0.1363773 0.7221686), wk = 0.0025510 k( 386) = ( -0.3888889 0.1431962 0.7221686), wk = 0.0025510 k( 387) = ( -0.4074074 0.1500150 0.7221686), wk = 0.0025510 k( 388) = ( -0.4259259 0.1568339 0.7221686), wk = 0.0025510 k( 389) = ( -0.4444444 0.1636528 0.7221686), wk = 0.0025510 k( 390) = ( -0.4629630 0.1704716 0.7221686), wk = 0.0025510 k( 391) = ( -0.4814815 0.1772905 0.7221686), wk = 0.0025510 k( 392) = ( -0.5000000 0.1841094 0.7221686), wk = 0.0025510 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 2) = ( 0.0067594 0.0067594 0.0000000), wk = 0.0025510 k( 3) = ( 0.0135189 0.0135189 0.0000000), wk = 0.0025510 k( 4) = ( 0.0202783 0.0202783 -0.0000000), wk = 0.0025510 k( 5) = ( 0.0270377 0.0270377 0.0000000), wk = 0.0025510 k( 6) = ( 0.0337972 0.0337972 -0.0000000), wk = 0.0025510 k( 7) = ( 0.0405566 0.0405566 0.0000000), wk = 0.0025510 k( 8) = ( 0.0473160 0.0473160 0.0000000), wk = 0.0025510 k( 9) = ( 0.0540755 0.0540755 0.0000000), wk = 0.0025510 k( 10) = ( 0.0608349 0.0608349 0.0000000), wk = 0.0025510 k( 11) = ( 0.0675943 0.0675943 -0.0000000), wk = 0.0025510 k( 12) = ( 0.0743538 0.0743538 -0.0000000), wk = 0.0025510 k( 13) = ( 0.0811132 0.0811132 0.0000000), wk = 0.0025510 k( 14) = ( 0.0878726 0.0878726 0.0000000), wk = 0.0025510 k( 15) = ( 0.0946321 0.0946321 0.0000000), wk = 0.0025510 k( 16) = ( 0.1013915 0.1013915 0.0000000), wk = 0.0025510 k( 17) = ( 0.1081509 0.1081509 0.0000000), wk = 0.0025510 k( 18) = ( 0.1149104 0.1149104 0.0000000), wk = 0.0025510 k( 19) = ( 0.1216698 0.1216698 0.0000000), wk = 0.0025510 k( 20) = ( 0.1284293 0.1284293 -0.0000000), wk = 0.0025510 k( 21) = ( 0.1351887 0.1351887 -0.0000000), wk = 0.0025510 k( 22) = ( 0.1419481 0.1419481 -0.0000000), wk = 0.0025510 k( 23) = ( 0.1487076 0.1487076 -0.0000000), wk = 0.0025510 k( 24) = ( 0.1554670 0.1554670 0.0000000), wk = 0.0025510 k( 25) = ( 0.1622264 0.1622264 -0.0000000), wk = 0.0025510 k( 26) = ( 0.1689859 0.1689859 0.0000000), wk = 0.0025510 k( 27) = ( 0.1757453 0.1757453 0.0000000), wk = 0.0025510 k( 28) = ( 0.1825047 0.1825047 0.0000000), wk = 0.0025510 k( 29) = ( 0.1892642 0.1892642 -0.0000000), wk = 0.0025510 k( 30) = ( 0.1960236 0.1960236 -0.0000000), wk = 0.0025510 k( 31) = ( 0.2027830 0.2027830 0.0000000), wk = 0.0025510 k( 32) = ( 0.2095425 0.2095425 0.0000000), wk = 0.0025510 k( 33) = ( 0.2163019 0.2163019 -0.0000000), wk = 0.0025510 k( 34) = ( 0.2230613 0.2230613 0.0000000), wk = 0.0025510 k( 35) = ( 0.2298208 0.2298208 0.0000000), wk = 0.0025510 k( 36) = ( 0.2365802 0.2365802 0.0000000), wk = 0.0025510 k( 37) = ( 0.2433396 0.2433397 0.0000000), wk = 0.0025510 k( 38) = ( 0.2500991 0.2500991 0.0000000), wk = 0.0025510 k( 39) = ( 0.2568585 0.2568585 -0.0000000), wk = 0.0025510 k( 40) = ( 0.2636179 0.2636179 0.0000000), wk = 0.0025510 k( 41) = ( 0.2703774 0.2703774 0.0000000), wk = 0.0025510 k( 42) = ( 0.2771368 0.2771368 0.0000000), wk = 0.0025510 k( 43) = ( 0.2838963 0.2838963 0.0000000), wk = 0.0025510 k( 44) = ( 0.2838963 0.2838963 0.0000000), wk = 0.0025510 k( 45) = ( 0.2649698 0.2983032 0.0000000), wk = 0.0025510 k( 46) = ( 0.2460434 0.3127101 0.0000000), wk = 0.0025510 k( 47) = ( 0.2271170 0.3271170 0.0000000), wk = 0.0025510 k( 48) = ( 0.2081906 0.3415239 0.0000000), wk = 0.0025510 k( 49) = ( 0.1892642 0.3559308 0.0000000), wk = 0.0025510 k( 50) = ( 0.1703378 0.3703378 0.0000000), wk = 0.0025510 k( 51) = ( 0.1514113 0.3847447 0.0000000), wk = 0.0025510 k( 52) = ( 0.1324849 0.3991516 -0.0000000), wk = 0.0025510 k( 53) = ( 0.1135585 0.4135585 -0.0000000), wk = 0.0025510 k( 54) = ( 0.0946321 0.4279654 -0.0000000), wk = 0.0025510 k( 55) = ( 0.0757057 0.4423723 0.0000000), wk = 0.0025510 k( 56) = ( 0.0567793 0.4567792 0.0000000), wk = 0.0025510 k( 57) = ( 0.0378528 0.4711862 0.0000000), wk = 0.0025510 k( 58) = ( 0.0189264 0.4855931 0.0000000), wk = 0.0025510 k( 59) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025510 k( 60) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0025510 k( 61) = ( 0.0000000 0.5000000 0.0135135), wk = 0.0025510 k( 62) = ( 0.0000000 0.5000000 0.0270270), wk = 0.0025510 k( 63) = ( 0.0000000 0.5000000 0.0405405), wk = 0.0025510 k( 64) = ( 0.0000000 0.5000000 0.0540540), wk = 0.0025510 k( 65) = ( 0.0000000 0.5000000 0.0675676), wk = 0.0025510 k( 66) = ( 0.0000000 0.5000000 0.0810811), wk = 0.0025510 k( 67) = ( 0.0000000 0.5000000 0.0945946), wk = 0.0025510 k( 68) = ( 0.0000000 0.5000000 0.1081081), wk = 0.0025510 k( 69) = ( 0.0000000 0.5000000 0.1216216), wk = 0.0025510 k( 70) = ( 0.0000000 0.5000000 0.1351351), wk = 0.0025510 k( 71) = ( 0.0000000 0.5000000 0.1486486), wk = 0.0025510 k( 72) = ( 0.0000000 0.5000000 0.1621622), wk = 0.0025510 k( 73) = ( 0.0000000 0.5000000 0.1756757), wk = 0.0025510 k( 74) = ( 0.0000000 0.5000000 0.1891892), wk = 0.0025510 k( 75) = ( 0.0000000 0.5000000 0.2027027), wk = 0.0025510 k( 76) = ( 0.0000000 0.5000000 0.2162162), wk = 0.0025510 k( 77) = ( 0.0000000 0.5000000 0.2297297), wk = 0.0025510 k( 78) = ( 0.0000000 0.5000000 0.2432432), wk = 0.0025510 k( 79) = ( 0.0000000 0.5000000 0.2567568), wk = 0.0025510 k( 80) = ( 0.0000000 0.5000000 0.2702703), wk = 0.0025510 k( 81) = ( 0.0000000 0.5000000 0.2837838), wk = 0.0025510 k( 82) = ( 0.0000000 0.5000000 0.2972973), wk = 0.0025510 k( 83) = ( 0.0000000 0.5000000 0.3108108), wk = 0.0025510 k( 84) = ( 0.0000000 0.5000000 0.3243243), wk = 0.0025510 k( 85) = ( 0.0000000 0.5000000 0.3378378), wk = 0.0025510 k( 86) = ( 0.0000000 0.5000000 0.3513514), wk = 0.0025510 k( 87) = ( 0.0000000 0.5000000 0.3648649), wk = 0.0025510 k( 88) = ( 0.0000000 0.5000000 0.3783784), wk = 0.0025510 k( 89) = ( 0.0000000 0.5000000 0.3918919), wk = 0.0025510 k( 90) = ( 0.0000000 0.5000000 0.4054054), wk = 0.0025510 k( 91) = ( 0.0000000 0.5000000 0.4189189), wk = 0.0025510 k( 92) = ( 0.0000000 0.5000000 0.4324324), wk = 0.0025510 k( 93) = ( 0.0000000 0.5000000 0.4459459), wk = 0.0025510 k( 94) = ( 0.0000000 0.5000000 0.4594595), wk = 0.0025510 k( 95) = ( 0.0000000 0.5000000 0.4729730), wk = 0.0025510 k( 96) = ( 0.0000000 0.5000000 0.4864865), wk = 0.0025510 k( 97) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025510 k( 98) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0025510 k( 99) = ( 0.0189264 0.4855931 0.5000000), wk = 0.0025510 k( 100) = ( 0.0378528 0.4711862 0.5000000), wk = 0.0025510 k( 101) = ( 0.0567793 0.4567792 0.5000000), wk = 0.0025510 k( 102) = ( 0.0757057 0.4423723 0.5000000), wk = 0.0025510 k( 103) = ( 0.0946321 0.4279654 0.5000000), wk = 0.0025510 k( 104) = ( 0.1135585 0.4135585 0.5000000), wk = 0.0025510 k( 105) = ( 0.1324849 0.3991516 0.5000000), wk = 0.0025510 k( 106) = ( 0.1514113 0.3847447 0.5000000), wk = 0.0025510 k( 107) = ( 0.1703378 0.3703378 0.5000000), wk = 0.0025510 k( 108) = ( 0.1892642 0.3559308 0.5000000), wk = 0.0025510 k( 109) = ( 0.2081906 0.3415239 0.5000000), wk = 0.0025510 k( 110) = ( 0.2271170 0.3271170 0.5000000), wk = 0.0025510 k( 111) = ( 0.2460434 0.3127101 0.5000000), wk = 0.0025510 k( 112) = ( 0.2649698 0.2983032 0.5000000), wk = 0.0025510 k( 113) = ( 0.2838963 0.2838963 0.5000000), wk = 0.0025510 k( 114) = ( 0.2838963 0.2838963 0.5000000), wk = 0.0025510 k( 115) = ( 0.2771368 0.2771368 0.5000000), wk = 0.0025510 k( 116) = ( 0.2703774 0.2703774 0.5000000), wk = 0.0025510 k( 117) = ( 0.2636179 0.2636179 0.5000000), wk = 0.0025510 k( 118) = ( 0.2568585 0.2568585 0.5000000), wk = 0.0025510 k( 119) = ( 0.2500991 0.2500991 0.5000000), wk = 0.0025510 k( 120) = ( 0.2433396 0.2433397 0.5000000), wk = 0.0025510 k( 121) = ( 0.2365802 0.2365802 0.5000000), wk = 0.0025510 k( 122) = ( 0.2298208 0.2298208 0.5000000), wk = 0.0025510 k( 123) = ( 0.2230613 0.2230613 0.5000000), wk = 0.0025510 k( 124) = ( 0.2163019 0.2163019 0.5000000), wk = 0.0025510 k( 125) = ( 0.2095425 0.2095425 0.5000000), wk = 0.0025510 k( 126) = ( 0.2027830 0.2027830 0.5000000), wk = 0.0025510 k( 127) = ( 0.1960236 0.1960236 0.5000000), wk = 0.0025510 k( 128) = ( 0.1892642 0.1892642 0.5000000), wk = 0.0025510 k( 129) = ( 0.1825047 0.1825047 0.5000000), wk = 0.0025510 k( 130) = ( 0.1757453 0.1757453 0.5000000), wk = 0.0025510 k( 131) = ( 0.1689859 0.1689859 0.5000000), wk = 0.0025510 k( 132) = ( 0.1622264 0.1622264 0.5000000), wk = 0.0025510 k( 133) = ( 0.1554670 0.1554670 0.5000000), wk = 0.0025510 k( 134) = ( 0.1487076 0.1487076 0.5000000), wk = 0.0025510 k( 135) = ( 0.1419481 0.1419481 0.5000000), wk = 0.0025510 k( 136) = ( 0.1351887 0.1351887 0.5000000), wk = 0.0025510 k( 137) = ( 0.1284293 0.1284293 0.5000000), wk = 0.0025510 k( 138) = ( 0.1216698 0.1216698 0.5000000), wk = 0.0025510 k( 139) = ( 0.1149104 0.1149104 0.5000000), wk = 0.0025510 k( 140) = ( 0.1081509 0.1081509 0.5000000), wk = 0.0025510 k( 141) = ( 0.1013915 0.1013915 0.5000000), wk = 0.0025510 k( 142) = ( 0.0946321 0.0946321 0.5000000), wk = 0.0025510 k( 143) = ( 0.0878726 0.0878726 0.5000000), wk = 0.0025510 k( 144) = ( 0.0811132 0.0811132 0.5000000), wk = 0.0025510 k( 145) = ( 0.0743538 0.0743538 0.5000000), wk = 0.0025510 k( 146) = ( 0.0675943 0.0675943 0.5000000), wk = 0.0025510 k( 147) = ( 0.0608349 0.0608349 0.5000000), wk = 0.0025510 k( 148) = ( 0.0540755 0.0540755 0.5000000), wk = 0.0025510 k( 149) = ( 0.0473160 0.0473160 0.5000000), wk = 0.0025510 k( 150) = ( 0.0405566 0.0405566 0.5000000), wk = 0.0025510 k( 151) = ( 0.0337972 0.0337972 0.5000000), wk = 0.0025510 k( 152) = ( 0.0270377 0.0270377 0.5000000), wk = 0.0025510 k( 153) = ( 0.0202783 0.0202783 0.5000000), wk = 0.0025510 k( 154) = ( 0.0135189 0.0135189 0.5000000), wk = 0.0025510 k( 155) = ( 0.0067594 0.0067594 0.5000000), wk = 0.0025510 k( 156) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025510 k( 157) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025510 k( 158) = ( 0.0000000 0.0000000 0.4864865), wk = 0.0025510 k( 159) = ( 0.0000000 0.0000000 0.4729730), wk = 0.0025510 k( 160) = ( 0.0000000 0.0000000 0.4594595), wk = 0.0025510 k( 161) = ( 0.0000000 0.0000000 0.4459459), wk = 0.0025510 k( 162) = ( 0.0000000 0.0000000 0.4324324), wk = 0.0025510 k( 163) = ( 0.0000000 0.0000000 0.4189189), wk = 0.0025510 k( 164) = ( 0.0000000 0.0000000 0.4054054), wk = 0.0025510 k( 165) = ( 0.0000000 0.0000000 0.3918919), wk = 0.0025510 k( 166) = ( 0.0000000 0.0000000 0.3783784), wk = 0.0025510 k( 167) = ( 0.0000000 0.0000000 0.3648649), wk = 0.0025510 k( 168) = ( 0.0000000 0.0000000 0.3513514), wk = 0.0025510 k( 169) = ( 0.0000000 0.0000000 0.3378378), wk = 0.0025510 k( 170) = ( 0.0000000 0.0000000 0.3243243), wk = 0.0025510 k( 171) = ( 0.0000000 0.0000000 0.3108108), wk = 0.0025510 k( 172) = ( 0.0000000 0.0000000 0.2972973), wk = 0.0025510 k( 173) = ( 0.0000000 0.0000000 0.2837838), wk = 0.0025510 k( 174) = ( 0.0000000 0.0000000 0.2702703), wk = 0.0025510 k( 175) = ( 0.0000000 0.0000000 0.2567568), wk = 0.0025510 k( 176) = ( 0.0000000 0.0000000 0.2432432), wk = 0.0025510 k( 177) = ( 0.0000000 0.0000000 0.2297297), wk = 0.0025510 k( 178) = ( 0.0000000 0.0000000 0.2162162), wk = 0.0025510 k( 179) = ( 0.0000000 0.0000000 0.2027027), wk = 0.0025510 k( 180) = ( 0.0000000 0.0000000 0.1891892), wk = 0.0025510 k( 181) = ( 0.0000000 0.0000000 0.1756757), wk = 0.0025510 k( 182) = ( 0.0000000 0.0000000 0.1621622), wk = 0.0025510 k( 183) = ( 0.0000000 0.0000000 0.1486486), wk = 0.0025510 k( 184) = ( 0.0000000 0.0000000 0.1351351), wk = 0.0025510 k( 185) = ( 0.0000000 0.0000000 0.1216216), wk = 0.0025510 k( 186) = ( 0.0000000 0.0000000 0.1081081), wk = 0.0025510 k( 187) = ( 0.0000000 0.0000000 0.0945946), wk = 0.0025510 k( 188) = ( 0.0000000 0.0000000 0.0810811), wk = 0.0025510 k( 189) = ( 0.0000000 0.0000000 0.0675676), wk = 0.0025510 k( 190) = ( 0.0000000 0.0000000 0.0540540), wk = 0.0025510 k( 191) = ( 0.0000000 0.0000000 0.0405405), wk = 0.0025510 k( 192) = ( 0.0000000 0.0000000 0.0270270), wk = 0.0025510 k( 193) = ( 0.0000000 0.0000000 0.0135135), wk = 0.0025510 k( 194) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 195) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0025510 k( 196) = ( -0.0185185 0.0185185 -0.0000000), wk = 0.0025510 k( 197) = ( -0.0370370 0.0370370 -0.0000000), wk = 0.0025510 k( 198) = ( -0.0555556 0.0555556 0.0000000), wk = 0.0025510 k( 199) = ( -0.0740741 0.0740741 -0.0000000), wk = 0.0025510 k( 200) = ( -0.0925926 0.0925926 0.0000000), wk = 0.0025510 k( 201) = ( -0.1111111 0.1111111 0.0000000), wk = 0.0025510 k( 202) = ( -0.1296296 0.1296296 0.0000000), wk = 0.0025510 k( 203) = ( -0.1481482 0.1481482 0.0000000), wk = 0.0025510 k( 204) = ( -0.1666667 0.1666667 0.0000000), wk = 0.0025510 k( 205) = ( -0.1851852 0.1851852 -0.0000000), wk = 0.0025510 k( 206) = ( -0.2037037 0.2037037 -0.0000000), wk = 0.0025510 k( 207) = ( -0.2222222 0.2222222 0.0000000), wk = 0.0025510 k( 208) = ( -0.2407407 0.2407407 -0.0000000), wk = 0.0025510 k( 209) = ( -0.2592593 0.2592593 0.0000000), wk = 0.0025510 k( 210) = ( -0.2777778 0.2777778 0.0000000), wk = 0.0025510 k( 211) = ( -0.2962963 0.2962963 0.0000000), wk = 0.0025510 k( 212) = ( -0.3148148 0.3148148 -0.0000000), wk = 0.0025510 k( 213) = ( -0.3333333 0.3333333 -0.0000000), wk = 0.0025510 k( 214) = ( -0.3518519 0.3518519 0.0000000), wk = 0.0025510 k( 215) = ( -0.3703704 0.3703704 -0.0000000), wk = 0.0025510 k( 216) = ( -0.3888889 0.3888889 0.0000000), wk = 0.0025510 k( 217) = ( -0.4074074 0.4074074 0.0000000), wk = 0.0025510 k( 218) = ( -0.4259259 0.4259259 -0.0000000), wk = 0.0025510 k( 219) = ( -0.4444444 0.4444444 0.0000000), wk = 0.0025510 k( 220) = ( -0.4629630 0.4629630 -0.0000000), wk = 0.0025510 k( 221) = ( -0.4814815 0.4814815 -0.0000000), wk = 0.0025510 k( 222) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025510 k( 223) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025510 k( 224) = ( -0.4932468 0.5067532 0.0000000), wk = 0.0025510 k( 225) = ( -0.4864935 0.5135065 0.0000000), wk = 0.0025510 k( 226) = ( -0.4797403 0.5202597 0.0000000), wk = 0.0025510 k( 227) = ( -0.4729870 0.5270130 0.0000000), wk = 0.0025510 k( 228) = ( -0.4662338 0.5337662 0.0000000), wk = 0.0025510 k( 229) = ( -0.4594805 0.5405195 -0.0000000), wk = 0.0025510 k( 230) = ( -0.4527273 0.5472727 0.0000000), wk = 0.0025510 k( 231) = ( -0.4459741 0.5540259 0.0000000), wk = 0.0025510 k( 232) = ( -0.4392208 0.5607792 0.0000000), wk = 0.0025510 k( 233) = ( -0.4324676 0.5675324 0.0000000), wk = 0.0025510 k( 234) = ( -0.4257143 0.5742857 0.0000000), wk = 0.0025510 k( 235) = ( -0.4189611 0.5810389 0.0000000), wk = 0.0025510 k( 236) = ( -0.4122078 0.5877922 -0.0000000), wk = 0.0025510 k( 237) = ( -0.4054546 0.5945454 -0.0000000), wk = 0.0025510 k( 238) = ( -0.3987014 0.6012986 -0.0000000), wk = 0.0025510 k( 239) = ( -0.3919481 0.6080519 -0.0000000), wk = 0.0025510 k( 240) = ( -0.3851949 0.6148051 0.0000000), wk = 0.0025510 k( 241) = ( -0.3784416 0.6215584 0.0000000), wk = 0.0025510 k( 242) = ( -0.3716884 0.6283116 0.0000000), wk = 0.0025510 k( 243) = ( -0.3649352 0.6350648 0.0000000), wk = 0.0025510 k( 244) = ( -0.3581819 0.6418181 0.0000000), wk = 0.0025510 k( 245) = ( -0.3514287 0.6485713 0.0000000), wk = 0.0025510 k( 246) = ( -0.3446754 0.6553246 0.0000000), wk = 0.0025510 k( 247) = ( -0.3379222 0.6620778 0.0000000), wk = 0.0025510 k( 248) = ( -0.3311690 0.6688311 0.0000000), wk = 0.0025510 k( 249) = ( -0.3244157 0.6755843 -0.0000000), wk = 0.0025510 k( 250) = ( -0.3176625 0.6823375 0.0000000), wk = 0.0025510 k( 251) = ( -0.3109092 0.6890908 -0.0000000), wk = 0.0025510 k( 252) = ( -0.3041560 0.6958440 0.0000000), wk = 0.0025510 k( 253) = ( -0.2974027 0.7025973 -0.0000000), wk = 0.0025510 k( 254) = ( -0.2906495 0.7093505 0.0000000), wk = 0.0025510 k( 255) = ( -0.2838963 0.7161038 -0.0000000), wk = 0.0025510 k( 256) = ( -0.2838963 0.7161038 -0.0000000), wk = 0.0025510 k( 257) = ( -0.2838963 0.7161038 0.0135135), wk = 0.0025510 k( 258) = ( -0.2838963 0.7161038 0.0270270), wk = 0.0025510 k( 259) = ( -0.2838963 0.7161038 0.0405405), wk = 0.0025510 k( 260) = ( -0.2838963 0.7161038 0.0540540), wk = 0.0025510 k( 261) = ( -0.2838963 0.7161038 0.0675676), wk = 0.0025510 k( 262) = ( -0.2838963 0.7161038 0.0810811), wk = 0.0025510 k( 263) = ( -0.2838963 0.7161038 0.0945946), wk = 0.0025510 k( 264) = ( -0.2838963 0.7161038 0.1081081), wk = 0.0025510 k( 265) = ( -0.2838963 0.7161038 0.1216216), wk = 0.0025510 k( 266) = ( -0.2838963 0.7161038 0.1351351), wk = 0.0025510 k( 267) = ( -0.2838963 0.7161038 0.1486486), wk = 0.0025510 k( 268) = ( -0.2838963 0.7161038 0.1621622), wk = 0.0025510 k( 269) = ( -0.2838963 0.7161038 0.1756757), wk = 0.0025510 k( 270) = ( -0.2838963 0.7161038 0.1891892), wk = 0.0025510 k( 271) = ( -0.2838963 0.7161038 0.2027027), wk = 0.0025510 k( 272) = ( -0.2838963 0.7161038 0.2162162), wk = 0.0025510 k( 273) = ( -0.2838963 0.7161038 0.2297297), wk = 0.0025510 k( 274) = ( -0.2838963 0.7161038 0.2432432), wk = 0.0025510 k( 275) = ( -0.2838963 0.7161038 0.2567568), wk = 0.0025510 k( 276) = ( -0.2838963 0.7161038 0.2702703), wk = 0.0025510 k( 277) = ( -0.2838963 0.7161038 0.2837838), wk = 0.0025510 k( 278) = ( -0.2838963 0.7161038 0.2972973), wk = 0.0025510 k( 279) = ( -0.2838963 0.7161038 0.3108108), wk = 0.0025510 k( 280) = ( -0.2838963 0.7161038 0.3243243), wk = 0.0025510 k( 281) = ( -0.2838963 0.7161038 0.3378378), wk = 0.0025510 k( 282) = ( -0.2838963 0.7161038 0.3513514), wk = 0.0025510 k( 283) = ( -0.2838963 0.7161038 0.3648649), wk = 0.0025510 k( 284) = ( -0.2838963 0.7161038 0.3783784), wk = 0.0025510 k( 285) = ( -0.2838963 0.7161038 0.3918919), wk = 0.0025510 k( 286) = ( -0.2838963 0.7161038 0.4054054), wk = 0.0025510 k( 287) = ( -0.2838963 0.7161038 0.4189189), wk = 0.0025510 k( 288) = ( -0.2838963 0.7161038 0.4324324), wk = 0.0025510 k( 289) = ( -0.2838963 0.7161038 0.4459459), wk = 0.0025510 k( 290) = ( -0.2838963 0.7161038 0.4594595), wk = 0.0025510 k( 291) = ( -0.2838963 0.7161038 0.4729730), wk = 0.0025510 k( 292) = ( -0.2838963 0.7161038 0.4864865), wk = 0.0025510 k( 293) = ( -0.2838963 0.7161038 0.5000000), wk = 0.0025510 k( 294) = ( -0.2838963 0.7161038 0.5000000), wk = 0.0025510 k( 295) = ( -0.2906495 0.7093505 0.5000000), wk = 0.0025510 k( 296) = ( -0.2974027 0.7025973 0.5000000), wk = 0.0025510 k( 297) = ( -0.3041560 0.6958440 0.5000000), wk = 0.0025510 k( 298) = ( -0.3109092 0.6890908 0.5000000), wk = 0.0025510 k( 299) = ( -0.3176625 0.6823375 0.5000000), wk = 0.0025510 k( 300) = ( -0.3244157 0.6755843 0.5000000), wk = 0.0025510 k( 301) = ( -0.3311690 0.6688311 0.5000000), wk = 0.0025510 k( 302) = ( -0.3379222 0.6620778 0.5000000), wk = 0.0025510 k( 303) = ( -0.3446754 0.6553246 0.5000000), wk = 0.0025510 k( 304) = ( -0.3514287 0.6485713 0.5000000), wk = 0.0025510 k( 305) = ( -0.3581819 0.6418181 0.5000000), wk = 0.0025510 k( 306) = ( -0.3649352 0.6350648 0.5000000), wk = 0.0025510 k( 307) = ( -0.3716884 0.6283116 0.5000000), wk = 0.0025510 k( 308) = ( -0.3784416 0.6215584 0.5000000), wk = 0.0025510 k( 309) = ( -0.3851949 0.6148051 0.5000000), wk = 0.0025510 k( 310) = ( -0.3919481 0.6080519 0.5000000), wk = 0.0025510 k( 311) = ( -0.3987014 0.6012986 0.5000000), wk = 0.0025510 k( 312) = ( -0.4054546 0.5945454 0.5000000), wk = 0.0025510 k( 313) = ( -0.4122078 0.5877922 0.5000000), wk = 0.0025510 k( 314) = ( -0.4189611 0.5810389 0.5000000), wk = 0.0025510 k( 315) = ( -0.4257143 0.5742857 0.5000000), wk = 0.0025510 k( 316) = ( -0.4324676 0.5675324 0.5000000), wk = 0.0025510 k( 317) = ( -0.4392208 0.5607792 0.5000000), wk = 0.0025510 k( 318) = ( -0.4459741 0.5540259 0.5000000), wk = 0.0025510 k( 319) = ( -0.4527273 0.5472727 0.5000000), wk = 0.0025510 k( 320) = ( -0.4594805 0.5405195 0.5000000), wk = 0.0025510 k( 321) = ( -0.4662338 0.5337662 0.5000000), wk = 0.0025510 k( 322) = ( -0.4729870 0.5270130 0.5000000), wk = 0.0025510 k( 323) = ( -0.4797403 0.5202597 0.5000000), wk = 0.0025510 k( 324) = ( -0.4864935 0.5135065 0.5000000), wk = 0.0025510 k( 325) = ( -0.4932468 0.5067532 0.5000000), wk = 0.0025510 k( 326) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025510 k( 327) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025510 k( 328) = ( -0.5000000 0.5000000 0.4864865), wk = 0.0025510 k( 329) = ( -0.5000000 0.5000000 0.4729730), wk = 0.0025510 k( 330) = ( -0.5000000 0.5000000 0.4594595), wk = 0.0025510 k( 331) = ( -0.5000000 0.5000000 0.4459459), wk = 0.0025510 k( 332) = ( -0.5000000 0.5000000 0.4324324), wk = 0.0025510 k( 333) = ( -0.5000000 0.5000000 0.4189189), wk = 0.0025510 k( 334) = ( -0.5000000 0.5000000 0.4054054), wk = 0.0025510 k( 335) = ( -0.5000000 0.5000000 0.3918919), wk = 0.0025510 k( 336) = ( -0.5000000 0.5000000 0.3783784), wk = 0.0025510 k( 337) = ( -0.5000000 0.5000000 0.3648649), wk = 0.0025510 k( 338) = ( -0.5000000 0.5000000 0.3513514), wk = 0.0025510 k( 339) = ( -0.5000000 0.5000000 0.3378378), wk = 0.0025510 k( 340) = ( -0.5000000 0.5000000 0.3243243), wk = 0.0025510 k( 341) = ( -0.5000000 0.5000000 0.3108108), wk = 0.0025510 k( 342) = ( -0.5000000 0.5000000 0.2972973), wk = 0.0025510 k( 343) = ( -0.5000000 0.5000000 0.2837838), wk = 0.0025510 k( 344) = ( -0.5000000 0.5000000 0.2702703), wk = 0.0025510 k( 345) = ( -0.5000000 0.5000000 0.2567568), wk = 0.0025510 k( 346) = ( -0.5000000 0.5000000 0.2432432), wk = 0.0025510 k( 347) = ( -0.5000000 0.5000000 0.2297297), wk = 0.0025510 k( 348) = ( -0.5000000 0.5000000 0.2162162), wk = 0.0025510 k( 349) = ( -0.5000000 0.5000000 0.2027027), wk = 0.0025510 k( 350) = ( -0.5000000 0.5000000 0.1891892), wk = 0.0025510 k( 351) = ( -0.5000000 0.5000000 0.1756757), wk = 0.0025510 k( 352) = ( -0.5000000 0.5000000 0.1621622), wk = 0.0025510 k( 353) = ( -0.5000000 0.5000000 0.1486486), wk = 0.0025510 k( 354) = ( -0.5000000 0.5000000 0.1351351), wk = 0.0025510 k( 355) = ( -0.5000000 0.5000000 0.1216216), wk = 0.0025510 k( 356) = ( -0.5000000 0.5000000 0.1081081), wk = 0.0025510 k( 357) = ( -0.5000000 0.5000000 0.0945946), wk = 0.0025510 k( 358) = ( -0.5000000 0.5000000 0.0810811), wk = 0.0025510 k( 359) = ( -0.5000000 0.5000000 0.0675676), wk = 0.0025510 k( 360) = ( -0.5000000 0.5000000 0.0540540), wk = 0.0025510 k( 361) = ( -0.5000000 0.5000000 0.0405405), wk = 0.0025510 k( 362) = ( -0.5000000 0.5000000 0.0270270), wk = 0.0025510 k( 363) = ( -0.5000000 0.5000000 0.0135135), wk = 0.0025510 k( 364) = ( -0.5000000 0.5000000 0.0000000), wk = 0.0025510 k( 365) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0025510 k( 366) = ( -0.0185185 0.0185185 0.5000000), wk = 0.0025510 k( 367) = ( -0.0370370 0.0370370 0.5000000), wk = 0.0025510 k( 368) = ( -0.0555556 0.0555556 0.5000000), wk = 0.0025510 k( 369) = ( -0.0740741 0.0740741 0.5000000), wk = 0.0025510 k( 370) = ( -0.0925926 0.0925926 0.5000000), wk = 0.0025510 k( 371) = ( -0.1111111 0.1111111 0.5000000), wk = 0.0025510 k( 372) = ( -0.1296296 0.1296296 0.5000000), wk = 0.0025510 k( 373) = ( -0.1481482 0.1481482 0.5000000), wk = 0.0025510 k( 374) = ( -0.1666667 0.1666667 0.5000000), wk = 0.0025510 k( 375) = ( -0.1851852 0.1851852 0.5000000), wk = 0.0025510 k( 376) = ( -0.2037037 0.2037037 0.5000000), wk = 0.0025510 k( 377) = ( -0.2222222 0.2222222 0.5000000), wk = 0.0025510 k( 378) = ( -0.2407407 0.2407407 0.5000000), wk = 0.0025510 k( 379) = ( -0.2592593 0.2592593 0.5000000), wk = 0.0025510 k( 380) = ( -0.2777778 0.2777778 0.5000000), wk = 0.0025510 k( 381) = ( -0.2962963 0.2962963 0.5000000), wk = 0.0025510 k( 382) = ( -0.3148148 0.3148148 0.5000000), wk = 0.0025510 k( 383) = ( -0.3333333 0.3333333 0.5000000), wk = 0.0025510 k( 384) = ( -0.3518519 0.3518519 0.5000000), wk = 0.0025510 k( 385) = ( -0.3703704 0.3703704 0.5000000), wk = 0.0025510 k( 386) = ( -0.3888889 0.3888889 0.5000000), wk = 0.0025510 k( 387) = ( -0.4074074 0.4074074 0.5000000), wk = 0.0025510 k( 388) = ( -0.4259259 0.4259259 0.5000000), wk = 0.0025510 k( 389) = ( -0.4444444 0.4444444 0.5000000), wk = 0.0025510 k( 390) = ( -0.4629630 0.4629630 0.5000000), wk = 0.0025510 k( 391) = ( -0.4814815 0.4814815 0.5000000), wk = 0.0025510 k( 392) = ( -0.5000000 0.5000000 0.5000000), wk = 0.0025510 Dense grid: 49075 G-vectors FFT dimensions: ( 60, 60, 45) Smooth grid: 32947 G-vectors FFT dimensions: ( 54, 54, 36) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.14 Mb ( 192, 48) NL pseudopotentials 0.14 Mb ( 96, 96) Each V/rho on FFT grid 0.05 Mb ( 3600) Each G-vector array 0.01 Mb ( 1023) G-vector shells 0.00 Mb ( 530) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.56 Mb ( 192, 192) Each subspace H/S matrix 0.56 Mb ( 192, 192) Each matrix 0.14 Mb ( 96, 2, 48) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./SnSe.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 41.5 secs Computing kpt #: 2 total cpu time spent up to now is 43.2 secs Computing kpt #: 3 total cpu time spent up to now is 44.8 secs Computing kpt #: 4 total cpu time spent up to now is 46.4 secs Computing kpt #: 5 total cpu time spent up to now is 48.1 secs Computing kpt #: 6 total cpu time spent up to now is 49.8 secs Computing kpt #: 7 total cpu time spent up to now is 51.5 secs Computing kpt #: 8 total cpu time spent up to now is 53.3 secs Computing kpt #: 9 total cpu time spent up to now is 55.0 secs Computing kpt #: 10 total cpu time spent up to now is 56.7 secs Computing kpt #: 11 total cpu time spent up to now is 58.5 secs Computing kpt #: 12 total cpu time spent up to now is 60.0 secs Computing kpt #: 13 total cpu time spent up to now is 61.5 secs Computing kpt #: 14 total cpu time spent up to now is 62.8 secs Computing kpt #: 15 total cpu time spent up to now is 64.2 secs Computing kpt #: 16 total cpu time spent up to now is 65.4 secs Computing kpt #: 17 total cpu time spent up to now is 66.7 secs Computing kpt #: 18 total cpu time spent up to now is 67.9 secs Computing kpt #: 19 total cpu time spent up to now is 69.1 secs Computing kpt #: 20 total cpu time spent up to now is 70.3 secs Computing kpt #: 21 total cpu time spent up to now is 71.4 secs Computing kpt #: 22 total cpu time spent up to now is 72.5 secs Computing kpt #: 23 total cpu time spent up to now is 73.5 secs Computing kpt #: 24 total cpu time spent up to now is 74.7 secs Computing kpt #: 25 total cpu time spent up to now is 75.9 secs Computing kpt #: 26 total cpu time spent up to now is 77.1 secs Computing kpt #: 27 total cpu time spent up to now is 78.1 secs Computing kpt #: 28 total cpu time spent up to now is 79.3 secs Computing kpt #: 29 total cpu time spent up to now is 80.7 secs Computing kpt #: 30 total cpu time spent up to now is 82.0 secs Computing kpt #: 31 total cpu time spent up to now is 83.3 secs Computing kpt #: 32 total cpu time spent up to now is 84.5 secs Computing kpt #: 33 total cpu time spent up to now is 85.9 secs Computing kpt #: 34 total cpu time spent up to now is 87.2 secs Computing kpt #: 35 total cpu time spent up to now is 89.1 secs Computing kpt #: 36 total cpu time spent up to now is 90.4 secs Computing kpt #: 37 total cpu time spent up to now is 91.6 secs Computing kpt #: 38 total cpu time spent up to now is 92.9 secs Computing kpt #: 39 total cpu time spent up to now is 94.1 secs Computing kpt #: 40 total cpu time spent up to now is 95.3 secs Computing kpt #: 41 total cpu time spent up to now is 96.6 secs Computing kpt #: 42 total cpu time spent up to now is 97.7 secs Computing kpt #: 43 total cpu time spent up to now is 98.8 secs Computing kpt #: 44 total cpu time spent up to now is 99.8 secs Computing kpt #: 45 total cpu time spent up to now is 100.9 secs Computing kpt #: 46 total cpu time spent up to now is 101.9 secs Computing kpt #: 47 total cpu time spent up to now is 103.1 secs Computing kpt #: 48 total cpu time spent up to now is 104.3 secs Computing kpt #: 49 total cpu time spent up to now is 105.5 secs Computing kpt #: 50 total cpu time spent up to now is 106.8 secs Computing kpt #: 51 total cpu time spent up to now is 108.0 secs Computing kpt #: 52 total cpu time spent up to now is 109.4 secs Computing kpt #: 53 total cpu time spent up to now is 110.7 secs Computing kpt #: 54 total cpu time spent up to now is 111.9 secs Computing kpt #: 55 total cpu time spent up to now is 113.2 secs Computing kpt #: 56 total cpu time spent up to now is 114.5 secs Computing kpt #: 57 total cpu time spent up to now is 115.7 secs Computing kpt #: 58 total cpu time spent up to now is 116.9 secs Computing kpt #: 59 total cpu time spent up to now is 118.2 secs Computing kpt #: 60 total cpu time spent up to now is 119.4 secs Computing kpt #: 61 total cpu time spent up to now is 120.6 secs Computing kpt #: 62 total cpu time spent up to now is 122.0 secs Computing kpt #: 63 total cpu time spent up to now is 123.4 secs Computing kpt #: 64 total cpu time spent up to now is 124.8 secs Computing kpt #: 65 total cpu time spent up to now is 125.9 secs Computing kpt #: 66 total cpu time spent up to now is 127.2 secs Computing kpt #: 67 total cpu time spent up to now is 128.4 secs Computing kpt #: 68 total cpu time spent up to now is 129.6 secs Computing kpt #: 69 total cpu time spent up to now is 130.6 secs Computing kpt #: 70 total cpu time spent up to now is 131.7 secs Computing kpt #: 71 total cpu time spent up to now is 132.7 secs Computing kpt #: 72 total cpu time spent up to now is 133.8 secs Computing kpt #: 73 total cpu time spent up to now is 134.9 secs Computing kpt #: 74 total cpu time spent up to now is 136.2 secs Computing kpt #: 75 total cpu time spent up to now is 137.4 secs Computing kpt #: 76 total cpu time spent up to now is 138.6 secs Computing kpt #: 77 total cpu time spent up to now is 139.8 secs Computing kpt #: 78 total cpu time spent up to now is 140.9 secs Computing kpt #: 79 total cpu time spent up to now is 142.2 secs Computing kpt #: 80 total cpu time spent up to now is 143.4 secs Computing kpt #: 81 total cpu time spent up to now is 144.6 secs Computing kpt #: 82 total cpu time spent up to now is 145.7 secs Computing kpt #: 83 total cpu time spent up to now is 147.0 secs Computing kpt #: 84 total cpu time spent up to now is 148.2 secs Computing kpt #: 85 total cpu time spent up to now is 149.3 secs Computing kpt #: 86 total cpu time spent up to now is 150.5 secs Computing kpt #: 87 total cpu time spent up to now is 151.7 secs Computing kpt #: 88 total cpu time spent up to now is 152.9 secs Computing kpt #: 89 total cpu time spent up to now is 154.2 secs Computing kpt #: 90 total cpu time spent up to now is 155.4 secs Computing kpt #: 91 total cpu time spent up to now is 156.6 secs Computing kpt #: 92 total cpu time spent up to now is 157.8 secs Computing kpt #: 93 total cpu time spent up to now is 159.2 secs Computing kpt #: 94 total cpu time spent up to now is 160.7 secs Computing kpt #: 95 total cpu time spent up to now is 161.9 secs Computing kpt #: 96 total cpu time spent up to now is 163.1 secs Computing kpt #: 97 total cpu time spent up to now is 164.3 secs Computing kpt #: 98 total cpu time spent up to now is 165.5 secs Computing kpt #: 99 total cpu time spent up to now is 166.7 secs Computing kpt #: 100 total cpu time spent up to now is 167.8 secs Computing kpt #: 101 total cpu time spent up to now is 169.0 secs Computing kpt #: 102 total cpu time spent up to now is 170.2 secs Computing kpt #: 103 total cpu time spent up to now is 171.4 secs Computing kpt #: 104 total cpu time spent up to now is 172.6 secs Computing kpt #: 105 total cpu time spent up to now is 173.9 secs Computing kpt #: 106 total cpu time spent up to now is 175.1 secs Computing kpt #: 107 total cpu time spent up to now is 176.3 secs Computing kpt #: 108 total cpu time spent up to now is 177.6 secs Computing kpt #: 109 total cpu time spent up to now is 178.9 secs Computing kpt #: 110 total cpu time spent up to now is 180.2 secs Computing kpt #: 111 total cpu time spent up to now is 181.6 secs Computing kpt #: 112 total cpu time spent up to now is 183.0 secs Computing kpt #: 113 total cpu time spent up to now is 184.4 secs Computing kpt #: 114 total cpu time spent up to now is 185.8 secs Computing kpt #: 115 total cpu time spent up to now is 187.1 secs Computing kpt #: 116 total cpu time spent up to now is 188.5 secs Computing kpt #: 117 total cpu time spent up to now is 189.9 secs Computing kpt #: 118 total cpu time spent up to now is 191.3 secs Computing kpt #: 119 total cpu time spent up to now is 192.7 secs Computing kpt #: 120 total cpu time spent up to now is 194.0 secs Computing kpt #: 121 total cpu time spent up to now is 195.3 secs Computing kpt #: 122 total cpu time spent up to now is 196.7 secs Computing kpt #: 123 total cpu time spent up to now is 198.0 secs Computing kpt #: 124 total cpu time spent up to now is 199.2 secs Computing kpt #: 125 total cpu time spent up to now is 200.5 secs Computing kpt #: 126 total cpu time spent up to now is 201.8 secs Computing kpt #: 127 total cpu time spent up to now is 202.9 secs Computing kpt #: 128 total cpu time spent up to now is 204.2 secs Computing kpt #: 129 total cpu time spent up to now is 205.4 secs Computing kpt #: 130 total cpu time spent up to now is 206.7 secs Computing kpt #: 131 total cpu time spent up to now is 207.9 secs Computing kpt #: 132 total cpu time spent up to now is 209.3 secs Computing kpt #: 133 total cpu time spent up to now is 210.6 secs Computing kpt #: 134 total cpu time spent up to now is 212.0 secs Computing kpt #: 135 total cpu time spent up to now is 213.2 secs Computing kpt #: 136 total cpu time spent up to now is 214.6 secs Computing kpt #: 137 total cpu time spent up to now is 215.8 secs Computing kpt #: 138 total cpu time spent up to now is 217.0 secs Computing kpt #: 139 total cpu time spent up to now is 218.2 secs Computing kpt #: 140 total cpu time spent up to now is 219.3 secs Computing kpt #: 141 total cpu time spent up to now is 220.3 secs Computing kpt #: 142 total cpu time spent up to now is 221.4 secs Computing kpt #: 143 total cpu time spent up to now is 222.4 secs Computing kpt #: 144 total cpu time spent up to now is 223.4 secs Computing kpt #: 145 total cpu time spent up to now is 224.5 secs Computing kpt #: 146 total cpu time spent up to now is 225.6 secs Computing kpt #: 147 total cpu time spent up to now is 226.6 secs Computing kpt #: 148 total cpu time spent up to now is 227.6 secs Computing kpt #: 149 total cpu time spent up to now is 228.5 secs Computing kpt #: 150 total cpu time spent up to now is 229.5 secs Computing kpt #: 151 total cpu time spent up to now is 230.6 secs Computing kpt #: 152 total cpu time spent up to now is 231.7 secs Computing kpt #: 153 total cpu time spent up to now is 232.6 secs Computing kpt #: 154 total cpu time spent up to now is 233.6 secs Computing kpt #: 155 total cpu time spent up to now is 234.5 secs Computing kpt #: 156 total cpu time spent up to now is 235.6 secs Computing kpt #: 157 total cpu time spent up to now is 236.6 secs Computing kpt #: 158 total cpu time spent up to now is 237.5 secs Computing kpt #: 159 total cpu time spent up to now is 238.5 secs Computing kpt #: 160 total cpu time spent up to now is 239.4 secs Computing kpt #: 161 total cpu time spent up to now is 240.4 secs Computing kpt #: 162 total cpu time spent up to now is 241.3 secs Computing kpt #: 163 total cpu time spent up to now is 242.4 secs Computing kpt #: 164 total cpu time spent up to now is 243.6 secs Computing kpt #: 165 total cpu time spent up to now is 244.6 secs Computing kpt #: 166 total cpu time spent up to now is 245.5 secs Computing kpt #: 167 total cpu time spent up to now is 246.5 secs Computing kpt #: 168 total cpu time spent up to now is 247.5 secs Computing kpt #: 169 total cpu time spent up to now is 248.5 secs Computing kpt #: 170 total cpu time spent up to now is 249.8 secs Computing kpt #: 171 total cpu time spent up to now is 251.0 secs Computing kpt #: 172 total cpu time spent up to now is 252.8 secs Computing kpt #: 173 total cpu time spent up to now is 253.8 secs Computing kpt #: 174 total cpu time spent up to now is 254.9 secs Computing kpt #: 175 total cpu time spent up to now is 256.3 secs Computing kpt #: 176 total cpu time spent up to now is 257.4 secs Computing kpt #: 177 total cpu time spent up to now is 258.5 secs Computing kpt #: 178 total cpu time spent up to now is 259.7 secs Computing kpt #: 179 total cpu time spent up to now is 260.9 secs Computing kpt #: 180 total cpu time spent up to now is 262.1 secs Computing kpt #: 181 total cpu time spent up to now is 263.4 secs Computing kpt #: 182 total cpu time spent up to now is 264.6 secs Computing kpt #: 183 total cpu time spent up to now is 266.0 secs Computing kpt #: 184 total cpu time spent up to now is 267.6 secs Computing kpt #: 185 total cpu time spent up to now is 269.2 secs Computing kpt #: 186 total cpu time spent up to now is 271.2 secs Computing kpt #: 187 total cpu time spent up to now is 273.1 secs Computing kpt #: 188 total cpu time spent up to now is 275.0 secs Computing kpt #: 189 total cpu time spent up to now is 276.8 secs Computing kpt #: 190 total cpu time spent up to now is 278.5 secs Computing kpt #: 191 total cpu time spent up to now is 280.3 secs Computing kpt #: 192 total cpu time spent up to now is 281.9 secs Computing kpt #: 193 total cpu time spent up to now is 283.5 secs Computing kpt #: 194 total cpu time spent up to now is 285.1 secs Computing kpt #: 195 total cpu time spent up to now is 286.6 secs Computing kpt #: 196 total cpu time spent up to now is 288.1 secs Computing kpt #: 197 total cpu time spent up to now is 289.5 secs Computing kpt #: 198 total cpu time spent up to now is 291.1 secs Computing kpt #: 199 total cpu time spent up to now is 292.6 secs Computing kpt #: 200 total cpu time spent up to now is 294.0 secs Computing kpt #: 201 total cpu time spent up to now is 295.4 secs Computing kpt #: 202 total cpu time spent up to now is 296.7 secs Computing kpt #: 203 total cpu time spent up to now is 298.1 secs Computing kpt #: 204 total cpu time spent up to now is 299.4 secs Computing kpt #: 205 total cpu time spent up to now is 300.6 secs Computing kpt #: 206 total cpu time spent up to now is 301.9 secs Computing kpt #: 207 total cpu time spent up to now is 303.2 secs Computing kpt #: 208 total cpu time spent up to now is 304.5 secs Computing kpt #: 209 total cpu time spent up to now is 305.7 secs Computing kpt #: 210 total cpu time spent up to now is 307.0 secs Computing kpt #: 211 total cpu time spent up to now is 308.3 secs Computing kpt #: 212 total cpu time spent up to now is 309.6 secs Computing kpt #: 213 total cpu time spent up to now is 310.9 secs Computing kpt #: 214 total cpu time spent up to now is 312.1 secs Computing kpt #: 215 total cpu time spent up to now is 313.4 secs Computing kpt #: 216 total cpu time spent up to now is 314.9 secs Computing kpt #: 217 total cpu time spent up to now is 316.6 secs Computing kpt #: 218 total cpu time spent up to now is 319.0 secs Computing kpt #: 219 total cpu time spent up to now is 320.8 secs Computing kpt #: 220 total cpu time spent up to now is 322.5 secs Computing kpt #: 221 total cpu time spent up to now is 324.0 secs Computing kpt #: 222 total cpu time spent up to now is 325.7 secs Computing kpt #: 223 total cpu time spent up to now is 327.4 secs Computing kpt #: 224 total cpu time spent up to now is 329.0 secs Computing kpt #: 225 total cpu time spent up to now is 330.5 secs Computing kpt #: 226 total cpu time spent up to now is 332.1 secs Computing kpt #: 227 total cpu time spent up to now is 333.7 secs Computing kpt #: 228 total cpu time spent up to now is 335.5 secs Computing kpt #: 229 total cpu time spent up to now is 337.2 secs Computing kpt #: 230 total cpu time spent up to now is 339.0 secs Computing kpt #: 231 total cpu time spent up to now is 340.8 secs Computing kpt #: 232 total cpu time spent up to now is 342.6 secs Computing kpt #: 233 total cpu time spent up to now is 345.0 secs Computing kpt #: 234 total cpu time spent up to now is 347.2 secs Computing kpt #: 235 total cpu time spent up to now is 349.0 secs Computing kpt #: 236 total cpu time spent up to now is 351.3 secs Computing kpt #: 237 total cpu time spent up to now is 352.6 secs Computing kpt #: 238 total cpu time spent up to now is 353.8 secs Computing kpt #: 239 total cpu time spent up to now is 355.0 secs Computing kpt #: 240 total cpu time spent up to now is 356.2 secs Computing kpt #: 241 total cpu time spent up to now is 357.7 secs Computing kpt #: 242 total cpu time spent up to now is 358.8 secs Computing kpt #: 243 total cpu time spent up to now is 360.0 secs Computing kpt #: 244 total cpu time spent up to now is 361.1 secs Computing kpt #: 245 total cpu time spent up to now is 362.3 secs Computing kpt #: 246 total cpu time spent up to now is 363.4 secs Computing kpt #: 247 total cpu time spent up to now is 364.6 secs Computing kpt #: 248 total cpu time spent up to now is 365.8 secs Computing kpt #: 249 total cpu time spent up to now is 367.0 secs Computing kpt #: 250 total cpu time spent up to now is 368.1 secs Computing kpt #: 251 total cpu time spent up to now is 369.2 secs Computing kpt #: 252 total cpu time spent up to now is 370.4 secs Computing kpt #: 253 total cpu time spent up to now is 371.6 secs Computing kpt #: 254 total cpu time spent up to now is 372.6 secs Computing kpt #: 255 total cpu time spent up to now is 373.6 secs Computing kpt #: 256 total cpu time spent up to now is 374.7 secs Computing kpt #: 257 total cpu time spent up to now is 375.8 secs Computing kpt #: 258 total cpu time spent up to now is 376.8 secs Computing kpt #: 259 total cpu time spent up to now is 378.0 secs Computing kpt #: 260 total cpu time spent up to now is 379.1 secs Computing kpt #: 261 total cpu time spent up to now is 380.2 secs Computing kpt #: 262 total cpu time spent up to now is 381.5 secs Computing kpt #: 263 total cpu time spent up to now is 382.5 secs Computing kpt #: 264 total cpu time spent up to now is 383.5 secs Computing kpt #: 265 total cpu time spent up to now is 384.6 secs Computing kpt #: 266 total cpu time spent up to now is 385.5 secs Computing kpt #: 267 total cpu time spent up to now is 386.6 secs Computing kpt #: 268 total cpu time spent up to now is 387.8 secs Computing kpt #: 269 total cpu time spent up to now is 388.8 secs Computing kpt #: 270 total cpu time spent up to now is 389.8 secs Computing kpt #: 271 total cpu time spent up to now is 390.8 secs Computing kpt #: 272 total cpu time spent up to now is 391.8 secs Computing kpt #: 273 total cpu time spent up to now is 392.8 secs Computing kpt #: 274 total cpu time spent up to now is 394.0 secs Computing kpt #: 275 total cpu time spent up to now is 395.2 secs Computing kpt #: 276 total cpu time spent up to now is 396.3 secs Computing kpt #: 277 total cpu time spent up to now is 397.6 secs Computing kpt #: 278 total cpu time spent up to now is 398.8 secs Computing kpt #: 279 total cpu time spent up to now is 400.0 secs Computing kpt #: 280 total cpu time spent up to now is 401.3 secs Computing kpt #: 281 total cpu time spent up to now is 402.6 secs Computing kpt #: 282 total cpu time spent up to now is 403.9 secs Computing kpt #: 283 total cpu time spent up to now is 405.4 secs Computing kpt #: 284 total cpu time spent up to now is 407.2 secs Computing kpt #: 285 total cpu time spent up to now is 408.6 secs Computing kpt #: 286 total cpu time spent up to now is 410.0 secs Computing kpt #: 287 total cpu time spent up to now is 411.4 secs Computing kpt #: 288 total cpu time spent up to now is 412.8 secs Computing kpt #: 289 total cpu time spent up to now is 414.2 secs Computing kpt #: 290 total cpu time spent up to now is 415.6 secs Computing kpt #: 291 total cpu time spent up to now is 417.0 secs Computing kpt #: 292 total cpu time spent up to now is 418.4 secs Computing kpt #: 293 total cpu time spent up to now is 420.6 secs Computing kpt #: 294 total cpu time spent up to now is 422.5 secs Computing kpt #: 295 total cpu time spent up to now is 424.2 secs Computing kpt #: 296 total cpu time spent up to now is 425.6 secs Computing kpt #: 297 total cpu time spent up to now is 427.0 secs Computing kpt #: 298 total cpu time spent up to now is 428.4 secs Computing kpt #: 299 total cpu time spent up to now is 429.9 secs Computing kpt #: 300 total cpu time spent up to now is 431.3 secs Computing kpt #: 301 total cpu time spent up to now is 433.1 secs Computing kpt #: 302 total cpu time spent up to now is 434.5 secs Computing kpt #: 303 total cpu time spent up to now is 436.0 secs Computing kpt #: 304 total cpu time spent up to now is 437.6 secs Computing kpt #: 305 total cpu time spent up to now is 438.9 secs Computing kpt #: 306 total cpu time spent up to now is 440.3 secs Computing kpt #: 307 total cpu time spent up to now is 441.6 secs Computing kpt #: 308 total cpu time spent up to now is 442.8 secs Computing kpt #: 309 total cpu time spent up to now is 444.1 secs Computing kpt #: 310 total cpu time spent up to now is 445.5 secs Computing kpt #: 311 total cpu time spent up to now is 446.8 secs Computing kpt #: 312 total cpu time spent up to now is 448.2 secs Computing kpt #: 313 total cpu time spent up to now is 449.4 secs Computing kpt #: 314 total cpu time spent up to now is 450.7 secs Computing kpt #: 315 total cpu time spent up to now is 452.1 secs Computing kpt #: 316 total cpu time spent up to now is 453.4 secs Computing kpt #: 317 total cpu time spent up to now is 454.8 secs Computing kpt #: 318 total cpu time spent up to now is 456.5 secs Computing kpt #: 319 total cpu time spent up to now is 458.4 secs Computing kpt #: 320 total cpu time spent up to now is 460.0 secs Computing kpt #: 321 total cpu time spent up to now is 461.5 secs Computing kpt #: 322 total cpu time spent up to now is 462.7 secs Computing kpt #: 323 total cpu time spent up to now is 464.0 secs Computing kpt #: 324 total cpu time spent up to now is 465.2 secs Computing kpt #: 325 total cpu time spent up to now is 466.6 secs Computing kpt #: 326 total cpu time spent up to now is 468.3 secs Computing kpt #: 327 total cpu time spent up to now is 469.5 secs Computing kpt #: 328 total cpu time spent up to now is 470.7 secs Computing kpt #: 329 total cpu time spent up to now is 472.0 secs Computing kpt #: 330 total cpu time spent up to now is 473.3 secs Computing kpt #: 331 total cpu time spent up to now is 474.9 secs Computing kpt #: 332 total cpu time spent up to now is 476.2 secs Computing kpt #: 333 total cpu time spent up to now is 477.4 secs Computing kpt #: 334 total cpu time spent up to now is 478.7 secs Computing kpt #: 335 total cpu time spent up to now is 480.2 secs Computing kpt #: 336 total cpu time spent up to now is 481.4 secs Computing kpt #: 337 total cpu time spent up to now is 482.6 secs Computing kpt #: 338 total cpu time spent up to now is 483.9 secs Computing kpt #: 339 total cpu time spent up to now is 485.1 secs Computing kpt #: 340 total cpu time spent up to now is 486.4 secs Computing kpt #: 341 total cpu time spent up to now is 487.6 secs Computing kpt #: 342 total cpu time spent up to now is 489.1 secs Computing kpt #: 343 total cpu time spent up to now is 490.4 secs Computing kpt #: 344 total cpu time spent up to now is 491.6 secs Computing kpt #: 345 total cpu time spent up to now is 492.9 secs Computing kpt #: 346 total cpu time spent up to now is 494.2 secs Computing kpt #: 347 total cpu time spent up to now is 495.5 secs Computing kpt #: 348 total cpu time spent up to now is 496.9 secs Computing kpt #: 349 total cpu time spent up to now is 498.8 secs Computing kpt #: 350 total cpu time spent up to now is 500.3 secs Computing kpt #: 351 total cpu time spent up to now is 502.0 secs Computing kpt #: 352 total cpu time spent up to now is 503.9 secs Computing kpt #: 353 total cpu time spent up to now is 505.7 secs Computing kpt #: 354 total cpu time spent up to now is 507.5 secs Computing kpt #: 355 total cpu time spent up to now is 509.3 secs Computing kpt #: 356 total cpu time spent up to now is 511.1 secs Computing kpt #: 357 total cpu time spent up to now is 512.8 secs Computing kpt #: 358 total cpu time spent up to now is 514.4 secs Computing kpt #: 359 total cpu time spent up to now is 516.0 secs Computing kpt #: 360 total cpu time spent up to now is 517.6 secs Computing kpt #: 361 total cpu time spent up to now is 519.2 secs Computing kpt #: 362 total cpu time spent up to now is 520.7 secs Computing kpt #: 363 total cpu time spent up to now is 522.3 secs Computing kpt #: 364 total cpu time spent up to now is 523.8 secs Computing kpt #: 365 total cpu time spent up to now is 525.0 secs Computing kpt #: 366 total cpu time spent up to now is 526.2 secs Computing kpt #: 367 total cpu time spent up to now is 527.3 secs Computing kpt #: 368 total cpu time spent up to now is 528.3 secs Computing kpt #: 369 total cpu time spent up to now is 529.2 secs Computing kpt #: 370 total cpu time spent up to now is 530.4 secs Computing kpt #: 371 total cpu time spent up to now is 531.4 secs Computing kpt #: 372 total cpu time spent up to now is 532.4 secs Computing kpt #: 373 total cpu time spent up to now is 533.6 secs Computing kpt #: 374 total cpu time spent up to now is 534.5 secs Computing kpt #: 375 total cpu time spent up to now is 535.5 secs Computing kpt #: 376 total cpu time spent up to now is 537.1 secs Computing kpt #: 377 total cpu time spent up to now is 538.1 secs Computing kpt #: 378 total cpu time spent up to now is 539.2 secs Computing kpt #: 379 total cpu time spent up to now is 540.2 secs Computing kpt #: 380 total cpu time spent up to now is 541.3 secs Computing kpt #: 381 total cpu time spent up to now is 542.4 secs Computing kpt #: 382 total cpu time spent up to now is 543.6 secs Computing kpt #: 383 total cpu time spent up to now is 544.7 secs Computing kpt #: 384 total cpu time spent up to now is 545.7 secs Computing kpt #: 385 total cpu time spent up to now is 546.8 secs Computing kpt #: 386 total cpu time spent up to now is 548.1 secs Computing kpt #: 387 total cpu time spent up to now is 549.2 secs Computing kpt #: 388 total cpu time spent up to now is 550.3 secs Computing kpt #: 389 total cpu time spent up to now is 551.5 secs Computing kpt #: 390 total cpu time spent up to now is 552.7 secs Computing kpt #: 391 total cpu time spent up to now is 554.1 secs Computing kpt #: 392 total cpu time spent up to now is 555.4 secs ethr = 2.50E-11, avg # of iterations = 26.0 total cpu time spent up to now is 555.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 4109 PWs) bands (ev): -14.2724 -14.2724 -14.2682 -14.2682 -14.2462 -14.2462 -14.2364 -14.2364 -13.2428 -13.2428 -13.2417 -13.2417 -13.2244 -13.2244 -13.2109 -13.2109 -13.2014 -13.2014 -13.1904 -13.1904 -5.7681 -5.7681 -4.3473 -4.3473 1.8489 1.8489 2.0939 2.0939 3.0462 3.0462 4.3412 4.3412 4.8955 4.8955 5.4579 5.4579 6.2096 6.2096 7.1685 7.1685 11.3125 11.3125 11.4748 11.4748 11.5191 11.5191 11.9145 11.9145 k = 0.0068 0.0184-0.0000 ( 4099 PWs) bands (ev): -14.2724 -14.2724 -14.2682 -14.2682 -14.2462 -14.2462 -14.2364 -14.2364 -13.2428 -13.2428 -13.2417 -13.2417 -13.2244 -13.2244 -13.2109 -13.2109 -13.2014 -13.2014 -13.1904 -13.1904 -5.7673 -5.7673 -4.3473 -4.3473 1.8463 1.8463 2.0904 2.0904 3.0449 3.0449 4.3427 4.3427 4.8979 4.8979 5.4639 5.4639 6.2107 6.2107 7.1683 7.1683 11.2930 11.2930 11.4297 11.4297 11.5813 11.5813 11.9099 11.9099 k = 0.0135 0.0367-0.0000 ( 4097 PWs) bands (ev): -14.2724 -14.2724 -14.2682 -14.2682 -14.2462 -14.2462 -14.2364 -14.2364 -13.2428 -13.2428 -13.2417 -13.2417 -13.2244 -13.2244 -13.2109 -13.2109 -13.2014 -13.2014 -13.1904 -13.1904 -5.7647 -5.7647 -4.3473 -4.3473 1.8383 1.8383 2.0798 2.0798 3.0410 3.0410 4.3472 4.3472 4.9049 4.9049 5.4819 5.4819 6.2139 6.2139 7.1677 7.1677 11.2257 11.2257 11.4109 11.4109 11.6593 11.6593 11.8969 11.8969 k = 0.0203 0.0551-0.0000 ( 4097 PWs) bands (ev): -14.2724 -14.2724 -14.2682 -14.2682 -14.2462 -14.2462 -14.2364 -14.2364 -13.2428 -13.2428 -13.2417 -13.2417 -13.2244 -13.2244 -13.2109 -13.2109 -13.2014 -13.2014 -13.1904 -13.1904 -5.7604 -5.7604 -4.3473 -4.3473 1.8252 1.8252 2.0621 2.0621 3.0353 3.0353 4.3546 4.3546 4.9166 4.9166 5.5111 5.5111 6.2194 6.2194 7.1667 7.1667 11.1286 11.1286 11.4220 11.4220 11.7272 11.7272 11.8788 11.8788 k = 0.0270 0.0734-0.0000 ( 4091 PWs) bands (ev): -14.2724 -14.2724 -14.2681 -14.2681 -14.2462 -14.2462 -14.2364 -14.2364 -13.2429 -13.2429 -13.2416 -13.2416 -13.2244 -13.2244 -13.2108 -13.2108 -13.2014 -13.2014 -13.1904 -13.1904 -5.7544 -5.7544 -4.3473 -4.3473 1.8071 1.8071 2.0370 2.0370 3.0287 3.0287 4.3650 4.3650 4.9328 4.9328 5.5509 5.5509 6.2271 6.2271 7.1652 7.1652 11.0194 11.0194 11.4473 11.4473 11.7670 11.7670 11.8691 11.8691 k = 0.0338 0.0918-0.0000 ( 4097 PWs) bands (ev): -14.2724 -14.2724 -14.2681 -14.2681 -14.2461 -14.2461 -14.2364 -14.2364 -13.2429 -13.2429 -13.2416 -13.2416 -13.2244 -13.2244 -13.2107 -13.2107 -13.2014 -13.2014 -13.1904 -13.1904 -5.7467 -5.7467 -4.3474 -4.3474 1.7845 1.7845 2.0044 2.0044 3.0223 3.0223 4.3783 4.3783 4.9533 4.9533 5.6002 5.6002 6.2371 6.2371 7.1633 7.1633 10.9038 10.9038 11.4811 11.4811 11.7553 11.7553 11.8872 11.8872 k = 0.0406 0.1101-0.0000 ( 4093 PWs) bands (ev): -14.2723 -14.2723 -14.2681 -14.2681 -14.2461 -14.2461 -14.2363 -14.2363 -13.2429 -13.2429 -13.2415 -13.2415 -13.2244 -13.2244 -13.2106 -13.2106 -13.2014 -13.2014 -13.1905 -13.1905 -5.7373 -5.7373 -4.3475 -4.3475 1.7575 1.7575 1.9642 1.9642 3.0172 3.0172 4.3945 4.3945 4.9779 4.9779 5.6576 5.6576 6.2495 6.2495 7.1610 7.1610 10.7838 10.7838 11.5188 11.5188 11.7147 11.7147 11.9046 11.9046 k = 0.0473 0.1285-0.0000 ( 4101 PWs) bands (ev): -14.2723 -14.2723 -14.2681 -14.2681 -14.2461 -14.2461 -14.2363 -14.2363 -13.2429 -13.2429 -13.2414 -13.2414 -13.2243 -13.2243 -13.2105 -13.2105 -13.2015 -13.2015 -13.1905 -13.1905 -5.7262 -5.7262 -4.3477 -4.3477 1.7268 1.7268 1.9167 1.9167 3.0144 3.0144 4.4134 4.4134 5.0066 5.0066 5.7219 5.7219 6.2644 6.2644 7.1582 7.1582 10.6605 10.6605 11.5473 11.5473 11.6738 11.6738 11.8953 11.8953 k = 0.0541 0.1469-0.0000 ( 4101 PWs) bands (ev): -14.2723 -14.2723 -14.2681 -14.2681 -14.2461 -14.2461 -14.2362 -14.2362 -13.2429 -13.2429 -13.2414 -13.2414 -13.2243 -13.2243 -13.2103 -13.2103 -13.2015 -13.2015 -13.1905 -13.1905 -5.7136 -5.7136 -4.3480 -4.3480 1.6926 1.6926 1.8621 1.8621 3.0147 3.0147 4.4352 4.4352 5.0389 5.0389 5.7915 5.7915 6.2823 6.2823 7.1549 7.1549 10.5347 10.5347 11.5283 11.5283 11.6704 11.6704 11.8553 11.8553 k = 0.0608 0.1652-0.0000 ( 4099 PWs) bands (ev): -14.2722 -14.2722 -14.2681 -14.2681 -14.2460 -14.2460 -14.2362 -14.2362 -13.2429 -13.2429 -13.2413 -13.2413 -13.2243 -13.2243 -13.2102 -13.2102 -13.2015 -13.2015 -13.1906 -13.1906 -5.6993 -5.6993 -4.3486 -4.3486 1.6556 1.6556 1.8009 1.8009 3.0186 3.0186 4.4597 4.4597 5.0748 5.0748 5.8649 5.8649 6.3036 6.3036 7.1510 7.1510 10.4069 10.4069 11.4630 11.4630 11.6886 11.6886 11.8046 11.8046 k = 0.0676 0.1836-0.0000 ( 4097 PWs) bands (ev): -14.2722 -14.2722 -14.2681 -14.2681 -14.2460 -14.2460 -14.2361 -14.2361 -13.2429 -13.2429 -13.2412 -13.2412 -13.2243 -13.2243 -13.2100 -13.2100 -13.2015 -13.2015 -13.1906 -13.1906 -5.6834 -5.6834 -4.3494 -4.3494 1.6160 1.6160 1.7338 1.7338 3.0263 3.0263 4.4868 4.4868 5.1139 5.1139 5.9401 5.9401 6.3292 6.3292 7.1466 7.1466 10.2775 10.2775 11.3799 11.3799 11.6523 11.6523 11.7904 11.7904 k = 0.0744 0.2019-0.0000 ( 4101 PWs) bands (ev): -14.2722 -14.2722 -14.2681 -14.2681 -14.2460 -14.2460 -14.2361 -14.2361 -13.2429 -13.2429 -13.2411 -13.2411 -13.2242 -13.2242 -13.2098 -13.2098 -13.2015 -13.2015 -13.1906 -13.1906 -5.6660 -5.6660 -4.3505 -4.3505 1.5745 1.5745 1.6617 1.6617 3.0380 3.0380 4.5166 4.5166 5.1561 5.1561 6.0148 6.0148 6.3605 6.3605 7.1417 7.1417 10.1470 10.1470 11.2874 11.2874 11.5673 11.5673 11.7841 11.7841 k = 0.0811 0.2203-0.0000 ( 4097 PWs) bands (ev): -14.2721 -14.2721 -14.2681 -14.2681 -14.2459 -14.2459 -14.2360 -14.2360 -13.2429 -13.2429 -13.2410 -13.2410 -13.2242 -13.2242 -13.2096 -13.2096 -13.2016 -13.2016 -13.1907 -13.1907 -5.6470 -5.6470 -4.3520 -4.3520 1.5313 1.5313 1.5856 1.5856 3.0537 3.0537 4.5490 4.5490 5.2011 5.2011 6.0860 6.0860 6.3993 6.3993 7.1363 7.1363 10.0159 10.0159 11.1883 11.1883 11.4679 11.4679 11.7356 11.7356 k = 0.0879 0.2386-0.0000 ( 4101 PWs) bands (ev): -14.2721 -14.2721 -14.2681 -14.2681 -14.2459 -14.2459 -14.2360 -14.2360 -13.2430 -13.2430 -13.2409 -13.2409 -13.2242 -13.2242 -13.2094 -13.2094 -13.2016 -13.2016 -13.1907 -13.1907 -5.6266 -5.6266 -4.3539 -4.3539 1.4850 1.4850 1.5079 1.5079 3.0732 3.0732 4.5839 4.5839 5.2488 5.2488 6.1506 6.1506 6.4481 6.4481 7.1304 7.1304 9.8843 9.8843 11.0840 11.0840 11.3630 11.3630 11.6500 11.6500 k = 0.0946 0.2570-0.0000 ( 4099 PWs) bands (ev): -14.2720 -14.2720 -14.2681 -14.2681 -14.2458 -14.2458 -14.2359 -14.2359 -13.2430 -13.2430 -13.2407 -13.2407 -13.2241 -13.2241 -13.2092 -13.2092 -13.2016 -13.2016 -13.1908 -13.1908 -5.6048 -5.6048 -4.3563 -4.3563 1.4176 1.4176 1.4480 1.4480 3.0964 3.0964 4.6213 4.6213 5.2990 5.2990 6.2062 6.2062 6.5083 6.5083 7.1241 7.1241 9.7528 9.7528 10.9756 10.9756 11.2557 11.2557 11.5449 11.5449 k = 0.1014 0.2754-0.0000 ( 4093 PWs) bands (ev): -14.2720 -14.2720 -14.2681 -14.2681 -14.2458 -14.2458 -14.2358 -14.2358 -13.2430 -13.2430 -13.2406 -13.2406 -13.2241 -13.2241 -13.2090 -13.2090 -13.2017 -13.2017 -13.1908 -13.1908 -5.5817 -5.5817 -4.3593 -4.3593 1.3339 1.3339 1.4022 1.4022 3.1232 3.1232 4.6611 4.6611 5.3514 5.3514 6.2524 6.2524 6.5794 6.5794 7.1178 7.1178 9.6216 9.6216 10.8638 10.8638 11.1479 11.1479 11.4302 11.4302 k = 0.1082 0.2937-0.0000 ( 4099 PWs) bands (ev): -14.2719 -14.2719 -14.2681 -14.2681 -14.2457 -14.2457 -14.2357 -14.2357 -13.2430 -13.2430 -13.2405 -13.2405 -13.2240 -13.2240 -13.2088 -13.2088 -13.2017 -13.2017 -13.1909 -13.1909 -5.5572 -5.5572 -4.3629 -4.3629 1.2475 1.2475 1.3581 1.3581 3.1534 3.1534 4.7033 4.7033 5.4060 5.4060 6.2907 6.2907 6.6587 6.6587 7.1117 7.1117 9.4910 9.4910 10.7496 10.7496 11.0409 11.0409 11.3105 11.3105 k = 0.1149 0.3121-0.0000 ( 4099 PWs) bands (ev): -14.2719 -14.2719 -14.2681 -14.2681 -14.2457 -14.2457 -14.2357 -14.2357 -13.2431 -13.2431 -13.2404 -13.2404 -13.2240 -13.2240 -13.2086 -13.2086 -13.2018 -13.2018 -13.1909 -13.1909 -5.5315 -5.5315 -4.3673 -4.3673 1.1598 1.1598 1.3151 1.3151 3.1867 3.1867 4.7478 4.7478 5.4625 5.4625 6.3229 6.3229 6.7428 6.7428 7.1069 7.1069 9.3614 9.3614 10.6335 10.6335 10.9355 10.9355 11.1881 11.1881 k = 0.1217 0.3304-0.0000 ( 4099 PWs) bands (ev): -14.2718 -14.2718 -14.2681 -14.2681 -14.2456 -14.2456 -14.2356 -14.2356 -13.2431 -13.2431 -13.2403 -13.2403 -13.2239 -13.2239 -13.2083 -13.2083 -13.2018 -13.2018 -13.1909 -13.1909 -5.5046 -5.5046 -4.3725 -4.3725 1.0717 1.0717 1.2735 1.2735 3.2231 3.2231 4.7945 4.7945 5.5208 5.5208 6.3509 6.3509 6.8273 6.8273 7.1054 7.1054 9.2331 9.2331 10.5161 10.5161 10.8326 10.8326 11.0644 11.0644 k = 0.1284 0.3488-0.0000 ( 4107 PWs) bands (ev): -14.2718 -14.2718 -14.2681 -14.2681 -14.2455 -14.2455 -14.2355 -14.2355 -13.2431 -13.2431 -13.2402 -13.2402 -13.2239 -13.2239 -13.2081 -13.2081 -13.2018 -13.2018 -13.1910 -13.1910 -5.4767 -5.4767 -4.3785 -4.3785 0.9836 0.9836 1.2334 1.2334 3.2623 3.2623 4.8434 4.8434 5.5806 5.5806 6.3755 6.3755 6.9048 6.9048 7.1130 7.1130 9.1065 9.1065 10.3981 10.3981 10.7330 10.7330 10.9404 10.9404 k = 0.1352 0.3671-0.0000 ( 4107 PWs) bands (ev): -14.2717 -14.2717 -14.2681 -14.2681 -14.2455 -14.2455 -14.2354 -14.2354 -13.2432 -13.2432 -13.2401 -13.2401 -13.2238 -13.2238 -13.2079 -13.2079 -13.2019 -13.2019 -13.1910 -13.1910 -5.4477 -5.4477 -4.3855 -4.3855 0.8959 0.8959 1.1953 1.1953 3.3043 3.3043 4.8944 4.8944 5.6419 5.6419 6.3972 6.3972 6.9614 6.9614 7.1425 7.1425 8.9819 8.9819 10.2799 10.2799 10.6370 10.6370 10.8169 10.8169 k = 0.1419 0.3855-0.0000 ( 4107 PWs) bands (ev): -14.2717 -14.2717 -14.2681 -14.2681 -14.2454 -14.2454 -14.2353 -14.2353 -13.2432 -13.2432 -13.2400 -13.2400 -13.2237 -13.2237 -13.2076 -13.2076 -13.2019 -13.2019 -13.1910 -13.1910 -5.4178 -5.4178 -4.3935 -4.3935 0.8091 0.8091 1.1594 1.1594 3.3489 3.3489 4.9474 4.9474 5.7044 5.7044 6.4164 6.4164 6.9867 6.9867 7.2031 7.2031 8.8600 8.8600 10.1620 10.1620 10.5450 10.5450 10.6949 10.6949 k = 0.1487 0.4039-0.0000 ( 4103 PWs) bands (ev): -14.2716 -14.2716 -14.2681 -14.2681 -14.2454 -14.2454 -14.2352 -14.2352 -13.2432 -13.2432 -13.2399 -13.2399 -13.2237 -13.2237 -13.2074 -13.2074 -13.2020 -13.2020 -13.1911 -13.1911 -5.3871 -5.3871 -4.4026 -4.4026 0.7236 0.7236 1.1261 1.1261 3.3960 3.3960 5.0021 5.0021 5.7677 5.7677 6.4330 6.4330 6.9911 6.9911 7.2837 7.2837 8.7415 8.7415 10.0447 10.0447 10.4564 10.4564 10.5759 10.5759 k = 0.1555 0.4222-0.0000 ( 4111 PWs) bands (ev): -14.2716 -14.2716 -14.2681 -14.2681 -14.2453 -14.2453 -14.2352 -14.2352 -13.2433 -13.2433 -13.2398 -13.2398 -13.2236 -13.2236 -13.2072 -13.2072 -13.2020 -13.2020 -13.1911 -13.1911 -5.3556 -5.3556 -4.4128 -4.4128 0.6397 0.6397 1.0955 1.0955 3.4455 3.4455 5.0587 5.0587 5.8315 5.8315 6.4470 6.4470 6.9865 6.9865 7.3712 7.3712 8.6274 8.6274 9.9287 9.9287 10.3687 10.3687 10.4632 10.4632 k = 0.1622 0.4406-0.0000 ( 4119 PWs) bands (ev): -14.2715 -14.2715 -14.2681 -14.2681 -14.2453 -14.2453 -14.2351 -14.2351 -13.2433 -13.2433 -13.2397 -13.2397 -13.2235 -13.2235 -13.2070 -13.2070 -13.2021 -13.2021 -13.1911 -13.1911 -5.3236 -5.3236 -4.4242 -4.4242 0.5576 0.5576 1.0680 1.0680 3.4972 3.4972 5.1168 5.1168 5.8954 5.8954 6.4583 6.4583 6.9781 6.9781 7.4587 7.4587 8.5195 8.5195 9.8141 9.8141 10.2757 10.2757 10.3642 10.3642 k = 0.1690 0.4589-0.0000 ( 4099 PWs) bands (ev): -14.2714 -14.2714 -14.2681 -14.2681 -14.2452 -14.2452 -14.2350 -14.2350 -13.2433 -13.2433 -13.2396 -13.2396 -13.2234 -13.2234 -13.2068 -13.2068 -13.2021 -13.2021 -13.1911 -13.1911 -5.2910 -5.2910 -4.4368 -4.4368 0.4777 0.4777 1.0437 1.0437 3.5511 3.5511 5.1763 5.1763 5.9586 5.9586 6.4670 6.4670 6.9683 6.9683 7.5413 7.5413 8.4209 8.4209 9.7015 9.7015 10.1722 10.1722 10.2847 10.2847 k = 0.1757 0.4773-0.0000 ( 4099 PWs) bands (ev): -14.2714 -14.2714 -14.2681 -14.2681 -14.2452 -14.2452 -14.2349 -14.2349 -13.2434 -13.2434 -13.2395 -13.2395 -13.2233 -13.2233 -13.2066 -13.2066 -13.2022 -13.2022 -13.1911 -13.1911 -5.2581 -5.2581 -4.4507 -4.4507 0.4003 0.4003 1.0229 1.0229 3.6069 3.6069 5.2370 5.2370 6.0204 6.0204 6.4729 6.4729 6.9585 6.9585 7.6124 7.6124 8.3372 8.3372 9.5911 9.5911 10.0622 10.0622 10.2216 10.2216 k = 0.1825 0.4956-0.0000 ( 4101 PWs) bands (ev): -14.2713 -14.2713 -14.2682 -14.2682 -14.2452 -14.2452 -14.2349 -14.2349 -13.2434 -13.2434 -13.2394 -13.2394 -13.2232 -13.2232 -13.2064 -13.2064 -13.2022 -13.2022 -13.1912 -13.1912 -5.2249 -5.2249 -4.4658 -4.4658 0.3255 0.3255 1.0056 1.0056 3.6646 3.6646 5.2988 5.2988 6.0795 6.0795 6.4762 6.4762 6.9497 6.9497 7.6620 7.6620 8.2780 8.2780 9.4834 9.4834 9.9506 9.9506 10.1705 10.1705 k = 0.1893 0.5140-0.0000 ( 4105 PWs) bands (ev): -14.2713 -14.2713 -14.2682 -14.2682 -14.2451 -14.2451 -14.2348 -14.2348 -13.2434 -13.2434 -13.2393 -13.2393 -13.2232 -13.2232 -13.2062 -13.2062 -13.2023 -13.2023 -13.1912 -13.1912 -5.1915 -5.1915 -4.4823 -4.4823 0.2537 0.2537 0.9920 0.9920 3.7241 3.7241 5.3613 5.3613 6.1342 6.1342 6.4771 6.4771 6.9433 6.9433 7.6776 7.6776 8.2558 8.2558 9.3788 9.3788 9.8398 9.8398 10.1297 10.1297 k = 0.1960 0.5324-0.0000 ( 4105 PWs) bands (ev): -14.2712 -14.2712 -14.2682 -14.2682 -14.2451 -14.2451 -14.2347 -14.2347 -13.2435 -13.2435 -13.2393 -13.2393 -13.2231 -13.2231 -13.2061 -13.2061 -13.2024 -13.2024 -13.1912 -13.1912 -5.1582 -5.1582 -4.5000 -4.5000 0.1851 0.1851 0.9822 0.9822 3.7852 3.7852 5.4242 5.4242 6.1823 6.1823 6.4762 6.4762 6.9410 6.9410 7.6534 7.6534 8.2758 8.2758 9.2777 9.2777 9.7310 9.7310 10.0986 10.0986 k = 0.2028 0.5507-0.0000 ( 4113 PWs) bands (ev): -14.2712 -14.2712 -14.2682 -14.2682 -14.2451 -14.2451 -14.2347 -14.2347 -13.2435 -13.2435 -13.2392 -13.2392 -13.2230 -13.2230 -13.2060 -13.2060 -13.2024 -13.2024 -13.1912 -13.1912 -5.1250 -5.1250 -4.5191 -4.5191 0.1199 0.1199 0.9763 0.9763 3.8478 3.8478 5.4873 5.4873 6.2212 6.2212 6.4737 6.4737 6.9448 6.9448 7.5981 7.5981 8.3296 8.3296 9.1806 9.1806 9.6247 9.6247 10.0770 10.0770 k = 0.2095 0.5691-0.0000 ( 4121 PWs) bands (ev): -14.2711 -14.2711 -14.2682 -14.2682 -14.2450 -14.2450 -14.2346 -14.2346 -13.2435 -13.2435 -13.2392 -13.2392 -13.2229 -13.2229 -13.2058 -13.2058 -13.2025 -13.2025 -13.1912 -13.1912 -5.0922 -5.0922 -4.5394 -4.5394 0.0583 0.0583 0.9744 0.9744 3.9117 3.9117 5.5502 5.5502 6.2484 6.2484 6.4699 6.4699 6.9569 6.9569 7.5246 7.5246 8.4037 8.4037 9.0883 9.0883 9.5216 9.5216 10.0645 10.0645 k = 0.2163 0.5874-0.0000 ( 4119 PWs) bands (ev): -14.2711 -14.2711 -14.2683 -14.2683 -14.2450 -14.2450 -14.2345 -14.2345 -13.2435 -13.2435 -13.2391 -13.2391 -13.2228 -13.2228 -13.2057 -13.2057 -13.2025 -13.2025 -13.1912 -13.1912 -5.0598 -5.0598 -4.5609 -4.5609 0.0005 0.0005 0.9765 0.9765 3.9767 3.9767 5.6124 5.6124 6.2623 6.2623 6.4645 6.4645 6.9789 6.9789 7.4422 7.4422 8.4883 8.4883 9.0019 9.0019 9.4222 9.4222 10.0608 10.0608 k = 0.2231 0.6058-0.0000 ( 4123 PWs) bands (ev): -14.2710 -14.2710 -14.2683 -14.2683 -14.2450 -14.2450 -14.2345 -14.2345 -13.2435 -13.2435 -13.2391 -13.2391 -13.2227 -13.2227 -13.2057 -13.2057 -13.2026 -13.2026 -13.1912 -13.1912 -5.0281 -5.0281 -4.5836 -4.5836 -0.0532 -0.0532 0.9826 0.9826 4.0426 4.0426 5.6735 5.6735 6.2633 6.2633 6.4562 6.4562 7.0115 7.0115 7.3565 7.3565 8.5759 8.5759 8.9236 8.9236 9.3271 9.3271 10.0649 10.0649 k = 0.2298 0.6241-0.0000 ( 4119 PWs) bands (ev): -14.2710 -14.2710 -14.2683 -14.2683 -14.2450 -14.2450 -14.2344 -14.2344 -13.2436 -13.2436 -13.2391 -13.2391 -13.2226 -13.2226 -13.2056 -13.2056 -13.2026 -13.2026 -13.1912 -13.1912 -4.9971 -4.9971 -4.6075 -4.6075 -0.1028 -0.1028 0.9927 0.9927 4.1092 4.1092 5.7328 5.7328 6.2530 6.2530 6.4438 6.4438 7.0527 7.0527 7.2714 7.2714 8.6555 8.6555 8.8622 8.8622 9.2372 9.2372 10.0750 10.0750 k = 0.2366 0.6425-0.0000 ( 4109 PWs) bands (ev): -14.2709 -14.2709 -14.2684 -14.2684 -14.2450 -14.2450 -14.2344 -14.2344 -13.2436 -13.2436 -13.2390 -13.2390 -13.2225 -13.2225 -13.2056 -13.2056 -13.2027 -13.2027 -13.1912 -13.1912 -4.9670 -4.9670 -4.6324 -4.6324 -0.1481 -0.1481 1.0068 1.0068 4.1763 4.1763 5.7898 5.7898 6.2337 6.2337 6.4270 6.4270 7.0935 7.0935 7.1960 7.1960 8.6895 8.6895 8.8528 8.8528 9.1539 9.1539 10.0865 10.0865 k = 0.2433 0.6609-0.0000 ( 4103 PWs) bands (ev): -14.2709 -14.2709 -14.2684 -14.2684 -14.2450 -14.2450 -14.2344 -14.2344 -13.2436 -13.2436 -13.2390 -13.2390 -13.2225 -13.2225 -13.2055 -13.2055 -13.2027 -13.2027 -13.1912 -13.1912 -4.9380 -4.9380 -4.6583 -4.6583 -0.1888 -0.1888 1.0248 1.0248 4.2434 4.2434 5.8437 5.8437 6.2072 6.2072 6.4061 6.4061 7.0739 7.0739 7.1888 7.1888 8.6570 8.6570 8.9125 8.9125 9.0810 9.0810 10.0883 10.0883 k = 0.2501 0.6792-0.0000 ( 4103 PWs) bands (ev): -14.2709 -14.2709 -14.2684 -14.2684 -14.2450 -14.2450 -14.2343 -14.2343 -13.2436 -13.2436 -13.2390 -13.2390 -13.2224 -13.2224 -13.2055 -13.2055 -13.2028 -13.2028 -13.1912 -13.1912 -4.9102 -4.9102 -4.6851 -4.6851 -0.2249 -0.2249 1.0466 1.0466 4.3104 4.3104 5.8938 5.8938 6.1750 6.1750 6.3818 6.3818 7.0003 7.0003 7.2415 7.2415 8.6070 8.6070 8.9616 8.9616 9.0496 9.0496 10.0630 10.0630 k = 0.2569 0.6976-0.0000 ( 4103 PWs) bands (ev): -14.2708 -14.2708 -14.2685 -14.2685 -14.2450 -14.2450 -14.2343 -14.2343 -13.2436 -13.2436 -13.2390 -13.2390 -13.2223 -13.2223 -13.2055 -13.2055 -13.2028 -13.2028 -13.1912 -13.1912 -4.8838 -4.8838 -4.7128 -4.7128 -0.2562 -0.2562 1.0722 1.0722 4.3768 4.3768 5.9391 5.9391 6.1382 6.1382 6.3552 6.3552 6.9228 6.9228 7.3020 7.3020 8.5586 8.5586 8.9259 8.9259 9.1146 9.1146 10.0126 10.0126 k = 0.2636 0.7159-0.0000 ( 4111 PWs) bands (ev): -14.2708 -14.2708 -14.2685 -14.2685 -14.2450 -14.2450 -14.2343 -14.2343 -13.2436 -13.2436 -13.2390 -13.2390 -13.2222 -13.2222 -13.2056 -13.2056 -13.2029 -13.2029 -13.1912 -13.1912 -4.8588 -4.8588 -4.7411 -4.7411 -0.2826 -0.2826 1.1015 1.1015 4.4421 4.4421 5.9782 5.9782 6.0983 6.0983 6.3270 6.3270 6.8475 6.8475 7.3618 7.3618 8.5164 8.5164 8.8795 8.8795 9.1961 9.1961 9.9565 9.9565 k = 0.2704 0.7343-0.0000 ( 4109 PWs) bands (ev): -14.2708 -14.2708 -14.2686 -14.2686 -14.2450 -14.2450 -14.2343 -14.2343 -13.2436 -13.2436 -13.2390 -13.2390 -13.2222 -13.2222 -13.2056 -13.2056 -13.2029 -13.2029 -13.1912 -13.1912 -4.8354 -4.8354 -4.7701 -4.7701 -0.3041 -0.3041 1.1343 1.1343 4.5058 4.5058 6.0063 6.0063 6.0601 6.0601 6.2981 6.2981 6.7759 6.7759 7.4169 7.4169 8.4827 8.4827 8.8429 8.8429 9.2686 9.2686 9.9098 9.9098 k = 0.2771 0.7526-0.0000 ( 4117 PWs) bands (ev): -14.2707 -14.2707 -14.2686 -14.2686 -14.2451 -14.2451 -14.2342 -14.2342 -13.2436 -13.2436 -13.2391 -13.2391 -13.2221 -13.2221 -13.2056 -13.2056 -13.2030 -13.2030 -13.1912 -13.1912 -4.8137 -4.8137 -4.7996 -4.7996 -0.3206 -0.3206 1.1705 1.1705 4.5673 4.5673 5.9936 5.9936 6.0531 6.0531 6.2692 6.2692 6.7090 6.7090 7.4637 7.4637 8.4592 8.4592 8.8198 8.8198 9.3203 9.3203 9.8855 9.8855 k = 0.2839 0.7710-0.0000 ( 4123 PWs) bands (ev): -14.2707 -14.2707 -14.2686 -14.2686 -14.2451 -14.2451 -14.2342 -14.2342 -13.2435 -13.2435 -13.2391 -13.2391 -13.2220 -13.2220 -13.2057 -13.2057 -13.2030 -13.2030 -13.1913 -13.1913 -4.8295 -4.8295 -4.7938 -4.7938 -0.3321 -0.3321 1.2099 1.2099 4.6259 4.6259 5.9493 5.9493 6.0677 6.0677 6.2410 6.2410 6.6475 6.6475 7.4989 7.4989 8.4480 8.4480 8.8122 8.8122 9.3408 9.3408 9.8947 9.8947 k = 0.2839 0.7710-0.0000 ( 4123 PWs) bands (ev): -14.2707 -14.2707 -14.2686 -14.2686 -14.2451 -14.2451 -14.2342 -14.2342 -13.2435 -13.2435 -13.2391 -13.2391 -13.2220 -13.2220 -13.2057 -13.2057 -13.2030 -13.2030 -13.1913 -13.1913 -4.8295 -4.8295 -4.7938 -4.7938 -0.3321 -0.3321 1.2099 1.2099 4.6259 4.6259 5.9493 5.9493 6.0677 6.0677 6.2410 6.2410 6.6475 6.6475 7.4989 7.4989 8.4480 8.4480 8.8122 8.8122 9.3408 9.3408 9.8947 9.8947 k = 0.2650 0.7710-0.0000 ( 4120 PWs) bands (ev): -14.2707 -14.2707 -14.2686 -14.2686 -14.2451 -14.2451 -14.2342 -14.2342 -13.2435 -13.2435 -13.2391 -13.2391 -13.2221 -13.2221 -13.2057 -13.2057 -13.2030 -13.2030 -13.1913 -13.1913 -4.8256 -4.8256 -4.7942 -4.7942 -0.3278 -0.3278 1.1949 1.1949 4.6107 4.6107 5.9596 5.9596 6.0663 6.0663 6.2354 6.2354 6.6793 6.6793 7.4873 7.4873 8.4501 8.4501 8.8107 8.8107 9.3499 9.3499 9.8858 9.8858 k = 0.2460 0.7710-0.0000 ( 4118 PWs) bands (ev): -14.2707 -14.2707 -14.2686 -14.2686 -14.2451 -14.2451 -14.2342 -14.2342 -13.2435 -13.2435 -13.2391 -13.2391 -13.2221 -13.2221 -13.2057 -13.2057 -13.2029 -13.2029 -13.1913 -13.1913 -4.8320 -4.8320 -4.7844 -4.7844 -0.3209 -0.3209 1.1773 1.1773 4.6029 4.6029 5.9580 5.9580 6.0705 6.0705 6.2072 6.2072 6.7294 6.7294 7.4723 7.4723 8.4531 8.4531 8.8072 8.8072 9.3752 9.3752 9.8802 9.8802 k = 0.2271 0.7710-0.0000 ( 4119 PWs) bands (ev): -14.2707 -14.2707 -14.2686 -14.2686 -14.2451 -14.2451 -14.2342 -14.2342 -13.2435 -13.2435 -13.2391 -13.2391 -13.2221 -13.2221 -13.2057 -13.2057 -13.2029 -13.2029 -13.1913 -13.1913 -4.8415 -4.8415 -4.7719 -4.7719 -0.3117 -0.3117 1.1573 1.1573 4.6029 4.6029 5.9454 5.9454 6.0744 6.0744 6.1709 6.1709 6.7882 6.7882 7.4552 7.4552 8.4574 8.4574 8.8037 8.8037 9.4074 9.4074 9.8833 9.8833 k = 0.2082 0.7710-0.0000 ( 4119 PWs) bands (ev): -14.2708 -14.2708 -14.2686 -14.2686 -14.2451 -14.2451 -14.2343 -14.2343 -13.2435 -13.2435 -13.2391 -13.2391 -13.2222 -13.2222 -13.2057 -13.2057 -13.2028 -13.2028 -13.1913 -13.1913 -4.8512 -4.8512 -4.7593 -4.7593 -0.3005 -0.3005 1.1354 1.1354 4.6105 4.6105 5.9220 5.9220 6.0644 6.0644 6.1468 6.1468 6.8490 6.8490 7.4370 7.4370 8.4634 8.4634 8.8023 8.8023 9.4345 9.4345 9.9025 9.9025 k = 0.1893 0.7710-0.0000 ( 4121 PWs) bands (ev): -14.2708 -14.2708 -14.2686 -14.2686 -14.2451 -14.2451 -14.2343 -14.2343 -13.2435 -13.2435 -13.2391 -13.2391 -13.2222 -13.2222 -13.2057 -13.2057 -13.2027 -13.2027 -13.1913 -13.1913 -4.8605 -4.8605 -4.7475 -4.7475 -0.2876 -0.2876 1.1118 1.1118 4.6256 4.6256 5.8850 5.8850 6.0368 6.0368 6.1454 6.1454 6.9078 6.9078 7.4187 7.4187 8.4719 8.4719 8.8046 8.8046 9.4462 9.4462 9.9437 9.9437 k = 0.1703 0.7710-0.0000 ( 4123 PWs) bands (ev): -14.2708 -14.2708 -14.2685 -14.2685 -14.2450 -14.2450 -14.2343 -14.2343 -13.2435 -13.2435 -13.2391 -13.2391 -13.2223 -13.2223 -13.2057 -13.2057 -13.2026 -13.2026 -13.1913 -13.1913 -4.8692 -4.8692 -4.7365 -4.7365 -0.2734 -0.2734 1.0872 1.0872 4.6482 4.6482 5.8324 5.8324 6.0090 6.0090 6.1539 6.1539 6.9626 6.9626 7.4009 7.4009 8.4839 8.4839 8.8113 8.8113 9.4386 9.4386 10.0069 10.0069 k = 0.1514 0.7710-0.0000 ( 4123 PWs) bands (ev): -14.2708 -14.2708 -14.2685 -14.2685 -14.2450 -14.2450 -14.2343 -14.2343 -13.2435 -13.2435 -13.2391 -13.2391 -13.2224 -13.2224 -13.2057 -13.2057 -13.2025 -13.2025 -13.1914 -13.1914 -4.8771 -4.8771 -4.7266 -4.7266 -0.2584 -0.2584 1.0621 1.0621 4.6778 4.6778 5.7667 5.7667 5.9879 5.9879 6.1645 6.1645 7.0119 7.0119 7.3840 7.3840 8.4999 8.4999 8.8222 8.8222 9.4143 9.4143 10.0855 10.0855 k = 0.1325 0.7710-0.0000 ( 4125 PWs) bands (ev): -14.2708 -14.2708 -14.2685 -14.2685 -14.2450 -14.2450 -14.2343 -14.2343 -13.2434 -13.2434 -13.2392 -13.2392 -13.2224 -13.2224 -13.2057 -13.2057 -13.2023 -13.2023 -13.1914 -13.1914 -4.8841 -4.8841 -4.7178 -4.7178 -0.2431 -0.2431 1.0372 1.0372 4.7142 4.7142 5.6928 5.6928 5.9723 5.9723 6.1748 6.1748 7.0552 7.0552 7.3686 7.3686 8.5203 8.5203 8.8368 8.8368 9.3779 9.3779 10.1668 10.1668 k = 0.1136 0.7710-0.0000 ( 4127 PWs) bands (ev): -14.2708 -14.2708 -14.2685 -14.2685 -14.2450 -14.2450 -14.2343 -14.2343 -13.2434 -13.2434 -13.2392 -13.2392 -13.2225 -13.2225 -13.2058 -13.2058 -13.2022 -13.2022 -13.1915 -13.1915 -4.8903 -4.8903 -4.7100 -4.7100 -0.2279 -0.2279 1.0134 1.0134 4.7569 4.7569 5.6144 5.6144 5.9605 5.9605 6.1841 6.1841 7.0921 7.0921 7.3547 7.3547 8.5448 8.5448 8.8547 8.8547 9.3334 9.3334 10.2135 10.2135 k = 0.0946 0.7710-0.0000 ( 4125 PWs) bands (ev): -14.2709 -14.2709 -14.2685 -14.2685 -14.2450 -14.2450 -14.2343 -14.2343 -13.2434 -13.2434 -13.2392 -13.2392 -13.2225 -13.2225 -13.2058 -13.2058 -13.2021 -13.2021 -13.1915 -13.1915 -4.8956 -4.8956 -4.7035 -4.7035 -0.2137 -0.2137 0.9913 0.9913 4.8056 4.8056 5.5339 5.5339 5.9513 5.9513 6.1921 6.1921 7.1227 7.1227 7.3427 7.3427 8.5726 8.5726 8.8752 8.8752 9.2837 9.2837 10.2036 10.2036 k = 0.0757 0.7710-0.0000 ( 4120 PWs) bands (ev): -14.2709 -14.2709 -14.2684 -14.2684 -14.2450 -14.2450 -14.2343 -14.2343 -13.2434 -13.2434 -13.2392 -13.2392 -13.2226 -13.2226 -13.2058 -13.2058 -13.2020 -13.2020 -13.1915 -13.1915 -4.9000 -4.9000 -4.6981 -4.6981 -0.2008 -0.2008 0.9718 0.9718 4.8596 4.8596 5.4529 5.4529 5.9442 5.9442 6.1987 6.1987 7.1471 7.1471 7.3326 7.3326 8.6020 8.6020 8.8983 8.8983 9.2310 9.2310 10.1815 10.1815 k = 0.0568 0.7710-0.0000 ( 4122 PWs) bands (ev): -14.2709 -14.2709 -14.2684 -14.2684 -14.2450 -14.2450 -14.2343 -14.2343 -13.2433 -13.2433 -13.2392 -13.2392 -13.2226 -13.2226 -13.2058 -13.2058 -13.2020 -13.2020 -13.1916 -13.1916 -4.9034 -4.9034 -4.6939 -4.6939 -0.1900 -0.1900 0.9557 0.9557 4.9183 4.9183 5.3728 5.3728 5.9389 5.9389 6.2038 6.2038 7.1656 7.1656 7.3245 7.3245 8.6305 8.6305 8.9241 8.9241 9.1775 9.1775 10.1607 10.1607 k = 0.0379 0.7710-0.0000 ( 4117 PWs) bands (ev): -14.2709 -14.2709 -14.2684 -14.2684 -14.2450 -14.2450 -14.2343 -14.2343 -13.2433 -13.2433 -13.2392 -13.2392 -13.2226 -13.2226 -13.2058 -13.2058 -13.2019 -13.2019 -13.1916 -13.1916 -4.9058 -4.9058 -4.6909 -4.6909 -0.1819 -0.1819 0.9436 0.9436 4.9801 4.9801 5.2954 5.2954 5.9352 5.9352 6.2074 6.2074 7.1787 7.1787 7.3187 7.3187 8.6548 8.6548 8.9536 8.9536 9.1250 9.1250 10.1446 10.1446 k = 0.0189 0.7710-0.0000 ( 4111 PWs) bands (ev): -14.2709 -14.2709 -14.2684 -14.2684 -14.2450 -14.2450 -14.2343 -14.2343 -13.2433 -13.2433 -13.2393 -13.2393 -13.2227 -13.2227 -13.2058 -13.2058 -13.2019 -13.2019 -13.1916 -13.1916 -4.9073 -4.9073 -4.6891 -4.6891 -0.1768 -0.1768 0.9361 0.9361 5.0413 5.0413 5.2248 5.2248 5.9329 5.9329 6.2096 6.2096 7.1864 7.1864 7.3151 7.3151 8.6713 8.6713 8.9876 8.9876 9.0756 9.0756 10.1344 10.1344 k = 0.0000 0.7710-0.0000 ( 4106 PWs) bands (ev): -14.2709 -14.2709 -14.2684 -14.2684 -14.2450 -14.2450 -14.2343 -14.2343 -13.2433 -13.2433 -13.2393 -13.2393 -13.2227 -13.2227 -13.2058 -13.2058 -13.2019 -13.2019 -13.1916 -13.1916 -4.9078 -4.9078 -4.6885 -4.6885 -0.1751 -0.1751 0.9336 0.9336 5.0777 5.0777 5.1853 5.1853 5.9322 5.9322 6.2103 6.2103 7.1890 7.1890 7.3139 7.3139 8.6772 8.6772 9.0189 9.0189 9.0387 9.0387 10.1309 10.1309 k = 0.0000 0.7710-0.0000 ( 4106 PWs) bands (ev): -14.2709 -14.2709 -14.2684 -14.2684 -14.2450 -14.2450 -14.2343 -14.2343 -13.2433 -13.2433 -13.2393 -13.2393 -13.2227 -13.2227 -13.2058 -13.2058 -13.2019 -13.2019 -13.1916 -13.1916 -4.9078 -4.9078 -4.6885 -4.6885 -0.1751 -0.1751 0.9336 0.9336 5.0777 5.0777 5.1853 5.1853 5.9322 5.9322 6.2103 6.2103 7.1890 7.1890 7.3139 7.3139 8.6772 8.6772 9.0189 9.0189 9.0387 9.0387 10.1309 10.1309 k = 0.0000 0.7710 0.0195 ( 4108 PWs) bands (ev): -14.2709 -14.2709 -14.2684 -14.2684 -14.2450 -14.2450 -14.2343 -14.2343 -13.2433 -13.2433 -13.2393 -13.2393 -13.2227 -13.2227 -13.2058 -13.2058 -13.2019 -13.2019 -13.1916 -13.1916 -4.9072 -4.9072 -4.6881 -4.6881 -0.1738 -0.1738 0.9347 0.9347 5.0743 5.0743 5.1852 5.1852 5.9191 5.9191 6.2035 6.2035 7.1924 7.1924 7.3030 7.3030 8.6754 8.6754 8.9822 8.9822 9.1047 9.1047 10.1250 10.1250 k = 0.0000 0.7710 0.0390 ( 4122 PWs) bands (ev): -14.2709 -14.2709 -14.2684 -14.2684 -14.2450 -14.2450 -14.2343 -14.2343 -13.2433 -13.2433 -13.2393 -13.2393 -13.2227 -13.2227 -13.2058 -13.2058 -13.2019 -13.2019 -13.1916 -13.1916 -4.9057 -4.9057 -4.6870 -4.6870 -0.1698 -0.1698 0.9382 0.9382 5.0640 5.0640 5.1849 5.1849 5.8813 5.8813 6.1837 6.1837 7.2009 7.2009 7.2705 7.2705 8.6764 8.6764 8.9627 8.9627 9.2062 9.2062 10.1094 10.1094 k = 0.0000 0.7710 0.0586 ( 4124 PWs) bands (ev): -14.2709 -14.2709 -14.2684 -14.2684 -14.2449 -14.2449 -14.2344 -14.2344 -13.2433 -13.2433 -13.2393 -13.2393 -13.2226 -13.2226 -13.2058 -13.2058 -13.2019 -13.2019 -13.1916 -13.1916 -4.9031 -4.9031 -4.6852 -4.6852 -0.1633 -0.1633 0.9439 0.9439 5.0465 5.0465 5.1843 5.1843 5.8224 5.8224 6.1530 6.1530 7.2035 7.2035 7.2231 7.2231 8.6917 8.6917 8.9631 8.9631 9.3286 9.3286 10.0891 10.0891 k = 0.0000 0.7710 0.0781 ( 4122 PWs) bands (ev): -14.2709 -14.2709 -14.2685 -14.2685 -14.2449 -14.2449 -14.2344 -14.2344 -13.2434 -13.2434 -13.2393 -13.2393 -13.2226 -13.2226 -13.2058 -13.2058 -13.2019 -13.2019 -13.1916 -13.1916 -4.8994 -4.8994 -4.6826 -4.6826 -0.1541 -0.1541 0.9518 0.9518 5.0212 5.0212 5.1830 5.1830 5.7470 5.7470 6.1141 6.1141 7.1368 7.1368 7.2200 7.2200 8.7286 8.7286 8.9810 8.9810 9.4658 9.4658 10.0685 10.0685 k = 0.0000 0.7710 0.0976 ( 4124 PWs) bands (ev): -14.2709 -14.2709 -14.2685 -14.2685 -14.2448 -14.2448 -14.2344 -14.2344 -13.2434 -13.2434 -13.2393 -13.2393 -13.2226 -13.2226 -13.2058 -13.2058 -13.2019 -13.2019 -13.1916 -13.1916 -4.8947 -4.8947 -4.6794 -4.6794 -0.1423 -0.1423 0.9621 0.9621 4.9877 4.9877 5.1808 5.1808 5.6597 5.6597 6.0706 6.0706 7.0435 7.0435 7.2167 7.2167 8.7889 8.7889 9.0159 9.0159 9.6126 9.6126 10.0506 10.0506 k = 0.0000 0.7710 0.1171 ( 4118 PWs) bands (ev): -14.2709 -14.2709 -14.2685 -14.2685 -14.2448 -14.2448 -14.2344 -14.2344 -13.2434 -13.2434 -13.2393 -13.2393 -13.2226 -13.2226 -13.2058 -13.2058 -13.2018 -13.2018 -13.1916 -13.1916 -4.8891 -4.8891 -4.6755 -4.6755 -0.1279 -0.1279 0.9745 0.9745 4.9453 4.9453 5.1768 5.1768 5.5647 5.5647 6.0253 6.0253 6.9361 6.9361 7.2012 7.2012 8.8704 8.8704 9.0684 9.0684 9.7643 9.7643 10.0381 10.0381 k = 0.0000 0.7710 0.1366 ( 4120 PWs) bands (ev): -14.2709 -14.2709 -14.2686 -14.2686 -14.2447 -14.2447 -14.2345 -14.2345 -13.2435 -13.2435 -13.2394 -13.2394 -13.2226 -13.2226 -13.2058 -13.2058 -13.2018 -13.2018 -13.1917 -13.1917 -4.8825 -4.8825 -4.6709 -4.6709 -0.1109 -0.1109 0.9892 0.9892 4.8938 4.8938 5.1693 5.1693 5.4663 5.4663 5.9809 5.9809 6.8187 6.8187 7.1720 7.1720 8.9696 8.9696 9.1382 9.1382 9.9090 9.9090 10.0405 10.0405 k = 0.0000 0.7710 0.1561 ( 4120 PWs) bands (ev): -14.2709 -14.2709 -14.2686 -14.2686 -14.2446 -14.2446 -14.2345 -14.2345 -13.2435 -13.2435 -13.2394 -13.2394 -13.2225 -13.2225 -13.2058 -13.2058 -13.2018 -13.2018 -13.1917 -13.1917 -4.8749 -4.8749 -4.6658 -4.6658 -0.0914 -0.0914 1.0060 1.0060 4.8332 4.8332 5.1543 5.1543 5.3703 5.3703 5.9389 5.9389 6.6954 6.6954 7.1292 7.1292 9.0827 9.0827 9.2242 9.2242 9.9828 9.9828 10.1203 10.1203 k = 0.0000 0.7710 0.1757 ( 4120 PWs) bands (ev): -14.2710 -14.2710 -14.2686 -14.2686 -14.2445 -14.2445 -14.2346 -14.2346 -13.2436 -13.2436 -13.2394 -13.2394 -13.2225 -13.2225 -13.2059 -13.2059 -13.2017 -13.2017 -13.1917 -13.1917 -4.8665 -4.8665 -4.6601 -4.6601 -0.0692 -0.0692 1.0249 1.0249 4.7641 4.7641 5.1211 5.1211 5.2889 5.2889 5.8996 5.8996 6.5695 6.5695 7.0744 7.0744 9.2062 9.2062 9.3243 9.3243 9.9926 9.9926 10.2688 10.2688 k = 0.0000 0.7710 0.1952 ( 4116 PWs) bands (ev): -14.2710 -14.2710 -14.2687 -14.2687 -14.2444 -14.2444 -14.2346 -14.2346 -13.2436 -13.2436 -13.2395 -13.2395 -13.2224 -13.2224 -13.2060 -13.2060 -13.2016 -13.2016 -13.1917 -13.1917 -4.8572 -4.8572 -4.6538 -4.6538 -0.0445 -0.0445 1.0459 1.0459 4.6871 4.6871 5.0552 5.0552 5.2374 5.2374 5.8624 5.8624 6.4445 6.4445 7.0101 7.0101 9.3361 9.3361 9.4361 9.4361 9.9986 9.9986 10.4250 10.4250 k = 0.0000 0.7710 0.2147 ( 4126 PWs) bands (ev): -14.2710 -14.2710 -14.2687 -14.2687 -14.2443 -14.2443 -14.2347 -14.2347 -13.2437 -13.2437 -13.2395 -13.2395 -13.2224 -13.2224 -13.2061 -13.2061 -13.2015 -13.2015 -13.1917 -13.1917 -4.8471 -4.8471 -4.6471 -4.6471 -0.0173 -0.0173 1.0689 1.0689 4.6035 4.6035 4.9631 4.9631 5.2098 5.2098 5.8247 5.8247 6.3243 6.3243 6.9387 6.9387 9.4671 9.4671 9.5575 9.5575 10.0114 10.0114 10.5785 10.5785 k = 0.0000 0.7710 0.2342 ( 4124 PWs) bands (ev): -14.2710 -14.2710 -14.2688 -14.2688 -14.2442 -14.2442 -14.2347 -14.2347 -13.2437 -13.2437 -13.2396 -13.2396 -13.2223 -13.2223 -13.2063 -13.2063 -13.2013 -13.2013 -13.1917 -13.1917 -4.8362 -4.8362 -4.6400 -4.6400 0.0124 0.0124 1.0938 1.0938 4.5145 4.5145 4.8604 4.8604 5.1908 5.1908 5.7821 5.7821 6.2144 6.2144 6.8629 6.8629 9.5899 9.5899 9.6880 9.6880 10.0380 10.0380 10.7249 10.7249 k = 0.0000 0.7710 0.2537 ( 4128 PWs) bands (ev): -14.2710 -14.2710 -14.2689 -14.2689 -14.2440 -14.2440 -14.2348 -14.2348 -13.2438 -13.2438 -13.2397 -13.2397 -13.2222 -13.2222 -13.2065 -13.2065 -13.2011 -13.2011 -13.1917 -13.1917 -4.8247 -4.8247 -4.6325 -4.6325 0.0447 0.0447 1.1205 1.1205 4.4211 4.4211 4.7546 4.7546 5.1728 5.1728 5.7280 5.7280 6.1218 6.1218 6.7850 6.7850 9.6906 9.6906 9.8281 9.8281 10.0883 10.0883 10.8599 10.8599 k = 0.0000 0.7710 0.2733 ( 4124 PWs) bands (ev): -14.2710 -14.2710 -14.2689 -14.2689 -14.2439 -14.2439 -14.2349 -14.2349 -13.2438 -13.2438 -13.2398 -13.2398 -13.2221 -13.2221 -13.2067 -13.2067 -13.2009 -13.2009 -13.1918 -13.1918 -4.8125 -4.8125 -4.6247 -4.6247 0.0794 0.0794 1.1489 1.1489 4.3247 4.3247 4.6485 4.6485 5.1527 5.1527 5.6563 5.6563 6.0527 6.0527 6.7073 6.7073 9.7599 9.7599 9.9759 9.9759 10.1707 10.1707 10.9782 10.9782 k = 0.0000 0.7710 0.2928 ( 4122 PWs) bands (ev): -14.2711 -14.2711 -14.2690 -14.2690 -14.2437 -14.2437 -14.2350 -14.2350 -13.2439 -13.2439 -13.2399 -13.2399 -13.2220 -13.2220 -13.2070 -13.2070 -13.2006 -13.2006 -13.1918 -13.1918 -4.7997 -4.7997 -4.6166 -4.6166 0.1165 0.1165 1.1790 1.1790 4.2263 4.2263 4.5437 4.5437 5.1288 5.1288 5.5666 5.5666 6.0077 6.0077 6.6317 6.6317 9.8007 9.8007 10.1282 10.1282 10.2825 10.2825 11.0742 11.0742 k = 0.0000 0.7710 0.3123 ( 4128 PWs) bands (ev): -14.2711 -14.2711 -14.2691 -14.2691 -14.2435 -14.2435 -14.2351 -14.2351 -13.2439 -13.2439 -13.2400 -13.2400 -13.2219 -13.2219 -13.2073 -13.2073 -13.2004 -13.2004 -13.1918 -13.1918 -4.7864 -4.7864 -4.6085 -4.6085 0.1561 0.1561 1.2104 1.2104 4.1268 4.1268 4.4408 4.4408 5.0999 5.0999 5.4642 5.4642 5.9816 5.9816 6.5600 6.5600 9.8235 9.8235 10.2821 10.2821 10.4132 10.4132 11.1435 11.1435 k = 0.0000 0.7710 0.3318 ( 4128 PWs) bands (ev): -14.2711 -14.2711 -14.2692 -14.2692 -14.2434 -14.2434 -14.2352 -14.2352 -13.2440 -13.2440 -13.2401 -13.2401 -13.2218 -13.2218 -13.2077 -13.2077 -13.2001 -13.2001 -13.1918 -13.1918 -4.7726 -4.7726 -4.6002 -4.6002 0.1980 0.1980 1.2431 1.2431 4.0269 4.0269 4.3404 4.3404 5.0649 5.0649 5.3555 5.3555 5.9682 5.9682 6.4934 6.4934 9.8367 9.8367 10.4352 10.4352 10.5538 10.5538 11.1851 11.1851 k = 0.0000 0.7710 0.3513 ( 4126 PWs) bands (ev): -14.2711 -14.2711 -14.2692 -14.2692 -14.2432 -14.2432 -14.2353 -14.2353 -13.2440 -13.2440 -13.2402 -13.2402 -13.2217 -13.2217 -13.2080 -13.2080 -13.1998 -13.1998 -13.1918 -13.1918 -4.7585 -4.7585 -4.5919 -4.5919 0.2422 0.2422 1.2769 1.2769 3.9275 3.9275 4.2428 4.2428 5.0228 5.0228 5.2453 5.2453 5.9631 5.9631 6.4332 6.4332 9.8447 9.8447 10.5846 10.5846 10.6986 10.6986 11.2031 11.2031 k = 0.0000 0.7710 0.3708 ( 4134 PWs) bands (ev): -14.2711 -14.2711 -14.2693 -14.2693 -14.2430 -14.2430 -14.2354 -14.2354 -13.2441 -13.2441 -13.2403 -13.2403 -13.2215 -13.2215 -13.2084 -13.2084 -13.1994 -13.1994 -13.1918 -13.1918 -4.7442 -4.7442 -4.5837 -4.5837 0.2887 0.2887 1.3114 1.3114 3.8292 3.8292 4.1484 4.1484 4.9728 4.9728 5.1370 5.1370 5.9636 5.9636 6.3800 6.3800 9.8501 9.8501 10.7249 10.7249 10.8436 10.8436 11.2075 11.2075 k = 0.0000 0.7710 0.3904 ( 4134 PWs) bands (ev): -14.2711 -14.2711 -14.2694 -14.2694 -14.2428 -14.2428 -14.2355 -14.2355 -13.2441 -13.2441 -13.2405 -13.2405 -13.2214 -13.2214 -13.2088 -13.2088 -13.1991 -13.1991 -13.1918 -13.1918 -4.7296 -4.7296 -4.5756 -4.5756 0.3374 0.3374 1.3464 1.3464 3.7326 3.7326 4.0573 4.0573 4.9133 4.9133 5.0341 5.0341 5.9681 5.9681 6.3342 6.3342 9.8542 9.8542 10.8425 10.8425 10.9858 10.9858 11.2174 11.2174 k = 0.0000 0.7710 0.4099 ( 4132 PWs) bands (ev): -14.2711 -14.2711 -14.2695 -14.2695 -14.2425 -14.2425 -14.2356 -14.2356 -13.2441 -13.2441 -13.2406 -13.2406 -13.2212 -13.2212 -13.2092 -13.2092 -13.1988 -13.1988 -13.1918 -13.1918 -4.7149 -4.7149 -4.5677 -4.5677 0.3882 0.3882 1.3814 1.3814 3.6384 3.6384 3.9696 3.9696 4.8426 4.8426 4.9397 4.9397 5.9753 5.9753 6.2957 6.2957 9.8576 9.8576 10.9102 10.9102 11.1241 11.1241 11.2635 11.2635 k = 0.0000 0.7710 0.4294 ( 4136 PWs) bands (ev): -14.2711 -14.2711 -14.2696 -14.2696 -14.2423 -14.2423 -14.2358 -14.2358 -13.2441 -13.2441 -13.2407 -13.2407 -13.2210 -13.2210 -13.2097 -13.2097 -13.1984 -13.1984 -13.1919 -13.1919 -4.7001 -4.7001 -4.5601 -4.5601 0.4411 0.4411 1.4160 1.4160 3.5470 3.5470 3.8856 3.8856 4.7610 4.7610 4.8553 4.8553 5.9846 5.9846 6.2641 6.2641 9.8611 9.8611 10.9160 10.9160 11.2606 11.2606 11.3574 11.3574 k = 0.0000 0.7710 0.4489 ( 4132 PWs) bands (ev): -14.2712 -14.2712 -14.2697 -14.2697 -14.2421 -14.2421 -14.2359 -14.2359 -13.2441 -13.2441 -13.2409 -13.2409 -13.2208 -13.2208 -13.2101 -13.2101 -13.1980 -13.1980 -13.1919 -13.1919 -4.6854 -4.6854 -4.5530 -4.5530 0.4960 0.4960 1.4497 1.4497 3.4593 3.4593 3.8051 3.8051 4.6736 4.6736 4.7772 4.7772 5.9954 5.9954 6.2389 6.2389 9.8650 9.8650 10.8839 10.8839 11.3959 11.3959 11.4748 11.4748 k = 0.0000 0.7710 0.4684 ( 4138 PWs) bands (ev): -14.2712 -14.2712 -14.2698 -14.2698 -14.2419 -14.2419 -14.2361 -14.2361 -13.2441 -13.2441 -13.2411 -13.2411 -13.2206 -13.2206 -13.2106 -13.2106 -13.1977 -13.1977 -13.1919 -13.1919 -4.6709 -4.6709 -4.5463 -4.5463 0.5528 0.5528 1.4817 1.4817 3.3758 3.3758 3.7284 3.7284 4.5859 4.5859 4.7017 4.7017 6.0073 6.0073 6.2191 6.2191 9.8696 9.8696 10.8346 10.8346 11.5285 11.5285 11.5968 11.5968 k = 0.0000 0.7710 0.4880 ( 4138 PWs) bands (ev): -14.2712 -14.2712 -14.2699 -14.2699 -14.2416 -14.2416 -14.2362 -14.2362 -13.2441 -13.2441 -13.2412 -13.2412 -13.2203 -13.2203 -13.2110 -13.2110 -13.1973 -13.1973 -13.1920 -13.1920 -4.6565 -4.6565 -4.5401 -4.5401 0.6113 0.6113 1.5112 1.5112 3.2975 3.2975 3.6553 3.6553 4.5013 4.5013 4.6270 4.6270 6.0198 6.0198 6.2040 6.2040 9.8753 9.8753 10.7772 10.7772 11.6564 11.6564 11.7159 11.7159 k = 0.0000 0.7710 0.5075 ( 4140 PWs) bands (ev): -14.2711 -14.2711 -14.2700 -14.2700 -14.2414 -14.2414 -14.2364 -14.2364 -13.2441 -13.2441 -13.2414 -13.2414 -13.2201 -13.2201 -13.2115 -13.2115 -13.1970 -13.1970 -13.1921 -13.1921 -4.6425 -4.6425 -4.5346 -4.5346 0.6714 0.6714 1.5374 1.5374 3.2252 3.2252 3.5858 3.5858 4.4214 4.4214 4.5531 4.5531 6.0328 6.0328 6.1928 6.1928 9.8823 9.8823 10.7160 10.7160 11.7779 11.7779 11.8288 11.8288 k = 0.0000 0.7710 0.5270 ( 4142 PWs) bands (ev): -14.2711 -14.2711 -14.2701 -14.2701 -14.2412 -14.2412 -14.2366 -14.2366 -13.2440 -13.2440 -13.2415 -13.2415 -13.2198 -13.2198 -13.2120 -13.2120 -13.1966 -13.1966 -13.1921 -13.1921 -4.6289 -4.6289 -4.5297 -4.5297 0.7329 0.7329 1.5592 1.5592 3.1599 3.1599 3.5199 3.5199 4.3472 4.3472 4.4805 4.4805 6.0460 6.0460 6.1846 6.1846 9.8909 9.8909 10.6533 10.6533 11.8916 11.8916 11.9339 11.9339 k = 0.0000 0.7710 0.5465 ( 4148 PWs) bands (ev): -14.2711 -14.2711 -14.2701 -14.2701 -14.2409 -14.2409 -14.2368 -14.2368 -13.2440 -13.2440 -13.2417 -13.2417 -13.2196 -13.2196 -13.2124 -13.2124 -13.1963 -13.1963 -13.1922 -13.1922 -4.6157 -4.6157 -4.5257 -4.5257 0.7958 0.7958 1.5753 1.5753 3.1027 3.1027 3.4573 3.4573 4.2793 4.2793 4.4101 4.4101 6.0591 6.0591 6.1787 6.1787 9.9015 9.9015 10.5904 10.5904 11.9964 11.9964 12.0304 12.0304 k = 0.0000 0.7710 0.5660 ( 4140 PWs) bands (ev): -14.2711 -14.2711 -14.2702 -14.2702 -14.2407 -14.2407 -14.2369 -14.2369 -13.2439 -13.2439 -13.2419 -13.2419 -13.2193 -13.2193 -13.2129 -13.2129 -13.1959 -13.1959 -13.1923 -13.1923 -4.6032 -4.6032 -4.5224 -4.5224 0.8597 0.8597 1.5847 1.5847 3.0546 3.0546 3.3980 3.3980 4.2182 4.2182 4.3428 4.3428 6.0720 6.0720 6.1745 6.1745 9.9141 9.9141 10.5283 10.5283 12.0912 12.0912 12.1178 12.1178 k = 0.0000 0.7710 0.5855 ( 4142 PWs) bands (ev): -14.2711 -14.2711 -14.2703 -14.2703 -14.2404 -14.2404 -14.2371 -14.2371 -13.2439 -13.2439 -13.2421 -13.2421 -13.2190 -13.2190 -13.2134 -13.2134 -13.1956 -13.1956 -13.1924 -13.1924 -4.5912 -4.5912 -4.5200 -4.5200 0.9244 0.9244 1.5863 1.5863 3.0166 3.0166 3.3417 3.3417 4.1644 4.1644 4.2795 4.2795 6.0844 6.0844 6.1713 6.1713 9.9292 9.9292 10.4677 10.4677 12.1749 12.1749 12.1961 12.1961 k = 0.0000 0.7710 0.6051 ( 4136 PWs) bands (ev): -14.2711 -14.2711 -14.2704 -14.2704 -14.2402 -14.2402 -14.2373 -14.2373 -13.2438 -13.2438 -13.2422 -13.2422 -13.2186 -13.2186 -13.2138 -13.2138 -13.1953 -13.1953 -13.1925 -13.1925 -4.5800 -4.5800 -4.5186 -4.5186 0.9895 0.9895 1.5793 1.5793 2.9893 2.9893 3.2885 3.2885 4.1183 4.1183 4.2211 4.2211 6.0962 6.0962 6.1689 6.1689 9.9469 9.9469 10.4091 10.4091 12.2468 12.2468 12.2651 12.2651 k = 0.0000 0.7710 0.6246 ( 4132 PWs) bands (ev): -14.2710 -14.2710 -14.2705 -14.2705 -14.2399 -14.2399 -14.2376 -14.2376 -13.2437 -13.2437 -13.2424 -13.2424 -13.2183 -13.2183 -13.2143 -13.2143 -13.1950 -13.1950 -13.1927 -13.1927 -4.5696 -4.5696 -4.5181 -4.5181 1.0548 1.0548 1.5632 1.5632 2.9729 2.9729 3.2381 3.2381 4.0801 4.0801 4.1685 4.1685 6.1073 6.1073 6.1666 6.1666 9.9674 9.9674 10.3530 10.3530 12.3072 12.3072 12.3243 12.3243 k = 0.0000 0.7710 0.6441 ( 4132 PWs) bands (ev): -14.2710 -14.2710 -14.2705 -14.2705 -14.2397 -14.2397 -14.2378 -14.2378 -13.2436 -13.2436 -13.2425 -13.2425 -13.2180 -13.2180 -13.2147 -13.2147 -13.1947 -13.1947 -13.1928 -13.1928 -4.5600 -4.5600 -4.5186 -4.5186 1.1197 1.1197 1.5382 1.5382 2.9673 2.9673 3.1905 3.1905 4.0501 4.0501 4.1226 4.1226 6.1175 6.1175 6.1642 6.1642 9.9910 9.9910 10.2996 10.2996 12.3566 12.3566 12.3726 12.3726 k = 0.0000 0.7710 0.6636 ( 4140 PWs) bands (ev): -14.2710 -14.2710 -14.2706 -14.2706 -14.2394 -14.2394 -14.2380 -14.2380 -13.2435 -13.2435 -13.2427 -13.2427 -13.2176 -13.2176 -13.2152 -13.2152 -13.1944 -13.1944 -13.1930 -13.1930 -4.5513 -4.5513 -4.5201 -4.5201 1.1837 1.1837 1.5048 1.5048 2.9716 2.9716 3.1459 3.1459 4.0286 4.0286 4.0839 4.0839 6.1267 6.1267 6.1613 6.1613 10.0177 10.0177 10.2493 10.2493 12.3957 12.3957 12.4096 12.4096 k = 0.0000 0.7710 0.6831 ( 4146 PWs) bands (ev): -14.2709 -14.2709 -14.2707 -14.2707 -14.2392 -14.2392 -14.2382 -14.2382 -13.2434 -13.2434 -13.2429 -13.2429 -13.2172 -13.2172 -13.2156 -13.2156 -13.1941 -13.1941 -13.1932 -13.1932 -4.5436 -4.5436 -4.5227 -4.5227 1.2462 1.2462 1.4637 1.4637 2.9850 2.9850 3.1046 3.1046 4.0159 4.0159 4.0531 4.0531 6.1350 6.1350 6.1579 6.1579 10.0478 10.0478 10.2022 10.2022 12.4246 12.4246 12.4349 12.4349 k = 0.0000 0.7710 0.7027 ( 4144 PWs) bands (ev): -14.2709 -14.2709 -14.2708 -14.2708 -14.2389 -14.2389 -14.2385 -14.2385 -13.2433 -13.2433 -13.2430 -13.2430 -13.2168 -13.2168 -13.2160 -13.2160 -13.1939 -13.1939 -13.1934 -13.1934 -4.5368 -4.5368 -4.5264 -4.5264 1.3064 1.3064 1.4162 1.4162 3.0062 3.0062 3.0670 3.0670 4.0119 4.0119 4.0306 4.0306 6.1422 6.1422 6.1536 6.1536 10.0812 10.0812 10.1584 10.1584 12.4432 12.4432 12.4487 12.4487 k = 0.0000 0.7710 0.7222 ( 4144 PWs) bands (ev): -14.2708 -14.2708 -14.2708 -14.2708 -14.2387 -14.2387 -14.2387 -14.2387 -13.2431 -13.2431 -13.2431 -13.2431 -13.2164 -13.2164 -13.2164 -13.2164 -13.1936 -13.1936 -13.1936 -13.1936 -4.5311 -4.5311 -4.5311 -4.5311 1.3634 1.3634 1.3634 1.3634 3.0339 3.0339 3.0339 3.0339 4.0169 4.0169 4.0169 4.0169 6.1484 6.1484 6.1484 6.1484 10.1181 10.1181 10.1181 10.1181 12.4514 12.4514 12.4514 12.4514 k = 0.0000 0.7710 0.7222 ( 4144 PWs) bands (ev): -14.2708 -14.2708 -14.2708 -14.2708 -14.2387 -14.2387 -14.2387 -14.2387 -13.2431 -13.2431 -13.2431 -13.2431 -13.2164 -13.2164 -13.2164 -13.2164 -13.1936 -13.1936 -13.1936 -13.1936 -4.5311 -4.5311 -4.5311 -4.5311 1.3634 1.3634 1.3634 1.3634 3.0339 3.0339 3.0339 3.0339 4.0169 4.0169 4.0169 4.0169 6.1484 6.1484 6.1484 6.1484 10.1181 10.1181 10.1181 10.1181 12.4514 12.4514 12.4514 12.4514 k = 0.0189 0.7710 0.7222 ( 4144 PWs) bands (ev): -14.2709 -14.2709 -14.2708 -14.2708 -14.2388 -14.2388 -14.2386 -14.2386 -13.2433 -13.2433 -13.2430 -13.2430 -13.2166 -13.2166 -13.2163 -13.2163 -13.1939 -13.1939 -13.1934 -13.1934 -4.5311 -4.5311 -4.5311 -4.5311 1.3619 1.3619 1.3636 1.3636 3.0301 3.0301 3.0312 3.0312 4.0202 4.0202 4.0265 4.0265 6.1437 6.1437 6.1496 6.1496 10.1125 10.1125 10.1267 10.1267 12.4482 12.4482 12.4549 12.4549 k = 0.0379 0.7710 0.7222 ( 4146 PWs) bands (ev): -14.2709 -14.2709 -14.2707 -14.2707 -14.2388 -14.2388 -14.2386 -14.2386 -13.2434 -13.2434 -13.2429 -13.2429 -13.2167 -13.2167 -13.2161 -13.2161 -13.1941 -13.1941 -13.1931 -13.1931 -4.5312 -4.5312 -4.5311 -4.5311 1.3590 1.3590 1.3625 1.3625 3.0202 3.0202 3.0223 3.0223 4.0362 4.0362 4.0487 4.0487 6.1353 6.1353 6.1472 6.1472 10.1099 10.1099 10.1383 10.1383 12.4453 12.4453 12.4587 12.4587 k = 0.0568 0.7710 0.7222 ( 4152 PWs) bands (ev): -14.2710 -14.2710 -14.2707 -14.2707 -14.2389 -14.2389 -14.2385 -14.2385 -13.2435 -13.2435 -13.2428 -13.2428 -13.2169 -13.2169 -13.2160 -13.2160 -13.1944 -13.1944 -13.1929 -13.1929 -4.5313 -4.5313 -4.5312 -4.5312 1.3549 1.3549 1.3600 1.3600 3.0053 3.0053 3.0081 3.0081 4.0637 4.0637 4.0822 4.0822 6.1237 6.1237 6.1415 6.1415 10.1099 10.1099 10.1525 10.1525 12.4428 12.4428 12.4630 12.4630 k = 0.0757 0.7710 0.7222 ( 4158 PWs) bands (ev): -14.2710 -14.2710 -14.2706 -14.2706 -14.2389 -14.2389 -14.2384 -14.2384 -13.2436 -13.2436 -13.2427 -13.2427 -13.2170 -13.2170 -13.2158 -13.2158 -13.1946 -13.1946 -13.1926 -13.1926 -4.5315 -4.5315 -4.5313 -4.5313 1.3494 1.3494 1.3561 1.3561 2.9870 2.9870 2.9902 2.9902 4.1010 4.1010 4.1253 4.1253 6.1091 6.1091 6.1329 6.1329 10.1120 10.1120 10.1688 10.1688 12.4411 12.4411 12.4681 12.4681 k = 0.0946 0.7710 0.7222 ( 4156 PWs) bands (ev): -14.2710 -14.2710 -14.2706 -14.2706 -14.2390 -14.2390 -14.2384 -14.2384 -13.2437 -13.2437 -13.2425 -13.2425 -13.2172 -13.2172 -13.2157 -13.2157 -13.1949 -13.1949 -13.1924 -13.1924 -4.5317 -4.5317 -4.5315 -4.5315 1.3427 1.3427 1.3508 1.3508 2.9667 2.9667 2.9700 2.9700 4.1463 4.1463 4.1760 4.1760 6.0920 6.0920 6.1217 6.1217 10.1156 10.1156 10.1863 10.1863 12.4402 12.4402 12.4741 12.4741 k = 0.1136 0.7710 0.7222 ( 4156 PWs) bands (ev): -14.2711 -14.2711 -14.2705 -14.2705 -14.2390 -14.2390 -14.2383 -14.2383 -13.2438 -13.2438 -13.2424 -13.2424 -13.2173 -13.2173 -13.2156 -13.2156 -13.1951 -13.1951 -13.1922 -13.1922 -4.5320 -4.5320 -4.5317 -4.5317 1.3347 1.3347 1.3442 1.3442 2.9459 2.9459 2.9492 2.9492 4.1975 4.1975 4.2325 4.2325 6.0731 6.0731 6.1088 6.1088 10.1199 10.1199 10.2042 10.2042 12.4408 12.4408 12.4816 12.4816 k = 0.1325 0.7710 0.7222 ( 4148 PWs) bands (ev): -14.2711 -14.2711 -14.2705 -14.2705 -14.2391 -14.2391 -14.2383 -14.2383 -13.2439 -13.2439 -13.2423 -13.2423 -13.2174 -13.2174 -13.2155 -13.2155 -13.1953 -13.1953 -13.1920 -13.1920 -4.5323 -4.5323 -4.5320 -4.5320 1.3254 1.3254 1.3362 1.3362 2.9259 2.9259 2.9289 2.9289 4.2527 4.2527 4.2929 4.2929 6.0531 6.0531 6.0948 6.0948 10.1238 10.1238 10.2214 10.2214 12.4431 12.4431 12.4907 12.4907 k = 0.1514 0.7710 0.7222 ( 4148 PWs) bands (ev): -14.2712 -14.2712 -14.2705 -14.2705 -14.2391 -14.2391 -14.2382 -14.2382 -13.2439 -13.2439 -13.2422 -13.2422 -13.2175 -13.2175 -13.2154 -13.2154 -13.1955 -13.1955 -13.1918 -13.1918 -4.5327 -4.5327 -4.5324 -4.5324 1.3150 1.3150 1.3269 1.3269 2.9076 2.9076 2.9104 2.9104 4.3100 4.3100 4.3554 4.3554 6.0329 6.0329 6.0805 6.0805 10.1265 10.1265 10.2368 10.2368 12.4477 12.4477 12.5019 12.5019 k = 0.1703 0.7710 0.7222 ( 4144 PWs) bands (ev): -14.2712 -14.2712 -14.2704 -14.2704 -14.2391 -14.2391 -14.2382 -14.2382 -13.2440 -13.2440 -13.2421 -13.2421 -13.2176 -13.2176 -13.2153 -13.2153 -13.1956 -13.1956 -13.1916 -13.1916 -4.5333 -4.5333 -4.5329 -4.5329 1.3036 1.3036 1.3164 1.3164 2.8918 2.8918 2.8944 2.8944 4.3677 4.3677 4.4182 4.4182 6.0135 6.0135 6.0671 6.0671 10.1270 10.1270 10.2490 10.2490 12.4548 12.4548 12.5151 12.5151 k = 0.1893 0.7710 0.7222 ( 4134 PWs) bands (ev): -14.2712 -14.2712 -14.2704 -14.2704 -14.2392 -14.2392 -14.2381 -14.2381 -13.2440 -13.2440 -13.2420 -13.2420 -13.2177 -13.2177 -13.2152 -13.2152 -13.1957 -13.1957 -13.1915 -13.1915 -4.5339 -4.5339 -4.5335 -4.5335 1.2912 1.2912 1.3048 1.3048 2.8792 2.8792 2.8816 2.8816 4.4241 4.4241 4.4796 4.4796 5.9961 5.9961 6.0554 6.0554 10.1243 10.1243 10.2571 10.2571 12.4644 12.4644 12.5302 12.5302 k = 0.2082 0.7710 0.7222 ( 4140 PWs) bands (ev): -14.2713 -14.2713 -14.2704 -14.2704 -14.2392 -14.2392 -14.2381 -14.2381 -13.2441 -13.2441 -13.2420 -13.2420 -13.2178 -13.2178 -13.2152 -13.2152 -13.1958 -13.1958 -13.1914 -13.1914 -4.5346 -4.5346 -4.5342 -4.5342 1.2780 1.2780 1.2921 1.2921 2.8701 2.8701 2.8725 2.8725 4.4775 4.4775 4.5377 4.5377 5.9820 5.9820 6.0467 6.0467 10.1179 10.1179 10.2599 10.2599 12.4762 12.4762 12.5467 12.5467 k = 0.2271 0.7710 0.7222 ( 4146 PWs) bands (ev): -14.2713 -14.2713 -14.2704 -14.2704 -14.2392 -14.2392 -14.2381 -14.2381 -13.2441 -13.2441 -13.2419 -13.2419 -13.2179 -13.2179 -13.2152 -13.2152 -13.1959 -13.1959 -13.1913 -13.1913 -4.5354 -4.5354 -4.5350 -4.5350 1.2641 1.2641 1.2786 1.2786 2.8649 2.8649 2.8673 2.8673 4.5262 4.5262 4.5908 4.5908 5.9724 5.9724 6.0419 6.0419 10.1072 10.1072 10.2568 10.2568 12.4891 12.4891 12.5632 12.5632 k = 0.2460 0.7710 0.7222 ( 4152 PWs) bands (ev): -14.2713 -14.2713 -14.2704 -14.2704 -14.2392 -14.2392 -14.2381 -14.2381 -13.2441 -13.2441 -13.2419 -13.2419 -13.2179 -13.2179 -13.2152 -13.2152 -13.1960 -13.1960 -13.1912 -13.1912 -4.5364 -4.5364 -4.5360 -4.5360 1.2498 1.2498 1.2645 1.2645 2.8636 2.8636 2.8662 2.8662 4.5689 4.5689 4.6373 4.6373 5.9684 5.9684 6.0421 6.0421 10.0920 10.0920 10.2474 10.2474 12.5008 12.5008 12.5778 12.5778 k = 0.2650 0.7710 0.7222 ( 4148 PWs) bands (ev): -14.2713 -14.2713 -14.2703 -14.2703 -14.2392 -14.2392 -14.2381 -14.2381 -13.2441 -13.2441 -13.2418 -13.2418 -13.2180 -13.2180 -13.2152 -13.2152 -13.1960 -13.1960 -13.1912 -13.1912 -4.5376 -4.5376 -4.5371 -4.5371 1.2353 1.2353 1.2500 1.2500 2.8664 2.8664 2.8693 2.8693 4.6044 4.6044 4.6755 4.6755 5.9711 5.9711 6.0477 6.0477 10.0725 10.0725 10.2316 10.2316 12.5082 12.5082 12.5874 12.5874 k = 0.2839 0.7710 0.7222 ( 4144 PWs) bands (ev): -14.2713 -14.2713 -14.2703 -14.2703 -14.2392 -14.2392 -14.2381 -14.2381 -13.2440 -13.2440 -13.2418 -13.2418 -13.2180 -13.2180 -13.2152 -13.2152 -13.1960 -13.1960 -13.1912 -13.1912 -4.5389 -4.5389 -4.5384 -4.5384 1.2207 1.2207 1.2353 1.2353 2.8732 2.8732 2.8766 2.8766 4.6317 4.6317 4.7046 4.7046 5.9809 5.9809 6.0592 6.0592 10.0494 10.0494 10.2102 10.2102 12.5074 12.5074 12.5888 12.5888 k = 0.2839 0.7710 0.7222 ( 4144 PWs) bands (ev): -14.2713 -14.2713 -14.2703 -14.2703 -14.2392 -14.2392 -14.2381 -14.2381 -13.2440 -13.2440 -13.2418 -13.2418 -13.2180 -13.2180 -13.2152 -13.2152 -13.1960 -13.1960 -13.1912 -13.1912 -4.5389 -4.5389 -4.5384 -4.5384 1.2207 1.2207 1.2353 1.2353 2.8732 2.8732 2.8766 2.8766 4.6317 4.6317 4.7046 4.7046 5.9809 5.9809 6.0592 6.0592 10.0494 10.0494 10.2102 10.2102 12.5074 12.5074 12.5888 12.5888 k = 0.2771 0.7526 0.7222 ( 4156 PWs) bands (ev): -14.2713 -14.2713 -14.2704 -14.2704 -14.2392 -14.2392 -14.2381 -14.2381 -13.2441 -13.2441 -13.2419 -13.2419 -13.2179 -13.2179 -13.2151 -13.2151 -13.1960 -13.1960 -13.1912 -13.1912 -4.5352 -4.5352 -4.5347 -4.5347 1.2621 1.2621 1.2774 1.2774 2.8511 2.8511 2.8527 2.8527 4.5655 4.5655 4.6351 4.6351 5.9405 5.9405 6.0161 6.0161 10.1230 10.1230 10.2818 10.2818 12.5254 12.5254 12.6011 12.6011 k = 0.2704 0.7343 0.7222 ( 4156 PWs) bands (ev): -14.2713 -14.2713 -14.2704 -14.2704 -14.2392 -14.2392 -14.2381 -14.2381 -13.2442 -13.2442 -13.2419 -13.2419 -13.2179 -13.2179 -13.2150 -13.2150 -13.1961 -13.1961 -13.1912 -13.1912 -4.5326 -4.5326 -4.5322 -4.5322 1.2992 1.2992 1.3151 1.3151 2.8375 2.8375 2.8377 2.8377 4.5053 4.5053 4.5717 4.5717 5.8997 5.8997 5.9727 5.9727 10.1957 10.1957 10.3527 10.3527 12.5424 12.5424 12.6151 12.6151 k = 0.2636 0.7159 0.7222 ( 4144 PWs) bands (ev): -14.2713 -14.2713 -14.2704 -14.2704 -14.2392 -14.2392 -14.2381 -14.2381 -13.2443 -13.2443 -13.2419 -13.2419 -13.2178 -13.2178 -13.2149 -13.2149 -13.1962 -13.1962 -13.1912 -13.1912 -4.5310 -4.5310 -4.5306 -4.5306 1.3313 1.3313 1.3477 1.3477 2.8314 2.8314 2.8335 2.8335 4.4516 4.4516 4.5148 4.5148 5.8585 5.8585 5.9292 5.9292 10.2675 10.2675 10.4228 10.4228 12.5580 12.5580 12.6302 12.6302 k = 0.2569 0.6976 0.7222 ( 4140 PWs) bands (ev): -14.2712 -14.2712 -14.2704 -14.2704 -14.2393 -14.2393 -14.2381 -14.2381 -13.2444 -13.2444 -13.2419 -13.2419 -13.2178 -13.2178 -13.2148 -13.2148 -13.1963 -13.1963 -13.1913 -13.1913 -4.5306 -4.5306 -4.5302 -4.5302 1.3577 1.3577 1.3746 1.3746 2.8346 2.8346 2.8386 2.8386 4.4047 4.4047 4.4648 4.4648 5.8170 5.8170 5.8856 5.8856 10.3382 10.3382 10.4920 10.4920 12.5713 12.5713 12.6453 12.6453 k = 0.2501 0.6792 0.7222 ( 4144 PWs) bands (ev): -14.2712 -14.2712 -14.2704 -14.2704 -14.2393 -14.2393 -14.2381 -14.2381 -13.2444 -13.2444 -13.2419 -13.2419 -13.2177 -13.2177 -13.2147 -13.2147 -13.1963 -13.1963 -13.1913 -13.1913 -4.5312 -4.5312 -4.5309 -4.5309 1.3781 1.3781 1.3952 1.3952 2.8472 2.8472 2.8531 2.8531 4.3652 4.3652 4.4221 4.4221 5.7754 5.7754 5.8420 5.8420 10.4076 10.4076 10.5603 10.5603 12.5810 12.5810 12.6593 12.6593 k = 0.2433 0.6609 0.7222 ( 4152 PWs) bands (ev): -14.2712 -14.2712 -14.2704 -14.2704 -14.2393 -14.2393 -14.2381 -14.2381 -13.2445 -13.2445 -13.2418 -13.2418 -13.2176 -13.2176 -13.2147 -13.2147 -13.1964 -13.1964 -13.1914 -13.1914 -4.5330 -4.5330 -4.5327 -4.5327 1.3923 1.3923 1.4094 1.4094 2.8691 2.8691 2.8769 2.8769 4.3333 4.3333 4.3871 4.3871 5.7339 5.7339 5.7986 5.7986 10.4757 10.4757 10.6274 10.6274 12.5858 12.5858 12.6708 12.6708 k = 0.2366 0.6425 0.7222 ( 4148 PWs) bands (ev): -14.2711 -14.2711 -14.2704 -14.2704 -14.2393 -14.2393 -14.2381 -14.2381 -13.2445 -13.2445 -13.2418 -13.2418 -13.2176 -13.2176 -13.2146 -13.2146 -13.1965 -13.1965 -13.1915 -13.1915 -4.5359 -4.5359 -4.5357 -4.5357 1.4002 1.4002 1.4173 1.4173 2.8998 2.8998 2.9095 2.9095 4.3097 4.3097 4.3600 4.3600 5.6926 5.6926 5.7556 5.7556 10.5421 10.5421 10.6933 10.6933 12.5840 12.5840 12.6782 12.6782 k = 0.2298 0.6241 0.7222 ( 4156 PWs) bands (ev): -14.2711 -14.2711 -14.2704 -14.2704 -14.2394 -14.2394 -14.2382 -14.2382 -13.2445 -13.2445 -13.2418 -13.2418 -13.2175 -13.2175 -13.2145 -13.2145 -13.1966 -13.1966 -13.1916 -13.1916 -4.5398 -4.5398 -4.5397 -4.5397 1.4022 1.4022 1.4189 1.4189 2.9385 2.9385 2.9502 2.9502 4.2945 4.2945 4.3412 4.3412 5.6518 5.6518 5.7131 5.7131 10.6067 10.6067 10.7576 10.7576 12.5740 12.5740 12.6797 12.6797 k = 0.2231 0.6058 0.7222 ( 4160 PWs) bands (ev): -14.2710 -14.2710 -14.2704 -14.2704 -14.2394 -14.2394 -14.2382 -14.2382 -13.2445 -13.2445 -13.2417 -13.2417 -13.2174 -13.2174 -13.2145 -13.2145 -13.1967 -13.1967 -13.1917 -13.1917 -4.5448 -4.5448 -4.5447 -4.5447 1.3986 1.3986 1.4148 1.4148 2.9845 2.9845 2.9983 2.9983 4.2883 4.2883 4.3309 4.3309 5.6116 5.6116 5.6712 5.6712 10.6689 10.6689 10.8200 10.8200 12.5546 12.5546 12.6737 12.6737 k = 0.2163 0.5874 0.7222 ( 4156 PWs) bands (ev): -14.2710 -14.2710 -14.2704 -14.2704 -14.2394 -14.2394 -14.2382 -14.2382 -13.2445 -13.2445 -13.2416 -13.2416 -13.2173 -13.2173 -13.2144 -13.2144 -13.1967 -13.1967 -13.1918 -13.1918 -4.5509 -4.5509 -4.5508 -4.5508 1.3900 1.3900 1.4055 1.4055 3.0366 3.0366 3.0527 3.0527 4.2912 4.2912 4.3296 4.3296 5.5723 5.5723 5.6301 5.6301 10.7282 10.7282 10.8801 10.8801 12.5249 12.5249 12.6586 12.6586 k = 0.2095 0.5691 0.7222 ( 4160 PWs) bands (ev): -14.2709 -14.2709 -14.2704 -14.2704 -14.2394 -14.2394 -14.2382 -14.2382 -13.2445 -13.2445 -13.2416 -13.2416 -13.2172 -13.2172 -13.2144 -13.2144 -13.1968 -13.1968 -13.1920 -13.1920 -4.5579 -4.5579 -4.5578 -4.5578 1.3770 1.3770 1.3917 1.3917 3.0938 3.0938 3.1125 3.1125 4.3036 4.3036 4.3372 4.3372 5.5342 5.5342 5.5902 5.5902 10.7842 10.7842 10.9373 10.9373 12.4844 12.4844 12.6334 12.6334 k = 0.2028 0.5507 0.7222 ( 4156 PWs) bands (ev): -14.2709 -14.2709 -14.2704 -14.2704 -14.2395 -14.2395 -14.2383 -14.2383 -13.2445 -13.2445 -13.2415 -13.2415 -13.2171 -13.2171 -13.2143 -13.2143 -13.1969 -13.1969 -13.1921 -13.1921 -4.5658 -4.5658 -4.5658 -4.5658 1.3601 1.3601 1.3740 1.3740 3.1551 3.1551 3.1766 3.1766 4.3257 4.3257 4.3540 4.3540 5.4975 5.4975 5.5515 5.5515 10.8358 10.8358 10.9908 10.9908 12.4333 12.4333 12.5976 12.5976 k = 0.1960 0.5324 0.7222 ( 4160 PWs) bands (ev): -14.2708 -14.2708 -14.2704 -14.2704 -14.2395 -14.2395 -14.2383 -14.2383 -13.2444 -13.2444 -13.2414 -13.2414 -13.2170 -13.2170 -13.2143 -13.2143 -13.1970 -13.1970 -13.1923 -13.1923 -4.5746 -4.5746 -4.5746 -4.5746 1.3400 1.3400 1.3529 1.3529 3.2195 3.2195 3.2442 3.2442 4.3577 4.3577 4.3799 4.3799 5.4627 5.4627 5.5143 5.5143 10.8821 10.8821 11.0397 11.0397 12.3721 12.3721 12.5512 12.5512 k = 0.1893 0.5140 0.7222 ( 4152 PWs) bands (ev): -14.2708 -14.2708 -14.2704 -14.2704 -14.2395 -14.2395 -14.2384 -14.2384 -13.2444 -13.2444 -13.2413 -13.2413 -13.2169 -13.2169 -13.2143 -13.2143 -13.1971 -13.1971 -13.1924 -13.1924 -4.5842 -4.5842 -4.5841 -4.5841 1.3171 1.3171 1.3291 1.3291 3.2862 3.2862 3.3143 3.3143 4.3995 4.3995 4.4149 4.4149 5.4301 5.4301 5.4789 5.4789 10.9216 10.9216 11.0824 11.0824 12.3020 12.3020 12.4951 12.4951 k = 0.1825 0.4956 0.7222 ( 4148 PWs) bands (ev): -14.2707 -14.2707 -14.2704 -14.2704 -14.2396 -14.2396 -14.2384 -14.2384 -13.2443 -13.2443 -13.2413 -13.2413 -13.2168 -13.2168 -13.2142 -13.2142 -13.1972 -13.1972 -13.1926 -13.1926 -4.5945 -4.5945 -4.5944 -4.5944 1.2920 1.2920 1.3031 1.3031 3.3542 3.3542 3.3862 3.3862 4.4510 4.4510 4.4585 4.4585 5.4002 5.4002 5.4457 5.4457 10.9528 10.9528 11.1172 11.1172 12.2246 12.2246 12.4305 12.4305 k = 0.1757 0.4773 0.7222 ( 4144 PWs) bands (ev): -14.2706 -14.2706 -14.2703 -14.2703 -14.2396 -14.2396 -14.2385 -14.2385 -13.2443 -13.2443 -13.2412 -13.2412 -13.2167 -13.2167 -13.2142 -13.2142 -13.1973 -13.1973 -13.1928 -13.1928 -4.6054 -4.6054 -4.6053 -4.6053 1.2651 1.2651 1.2753 1.2753 3.4230 3.4230 3.4591 3.4591 4.5104 4.5104 4.5119 4.5119 5.3738 5.3738 5.4149 5.4149 10.9734 10.9734 11.1414 11.1414 12.1420 12.1420 12.3590 12.3590 k = 0.1690 0.4589 0.7222 ( 4148 PWs) bands (ev): -14.2706 -14.2706 -14.2703 -14.2703 -14.2396 -14.2396 -14.2385 -14.2385 -13.2442 -13.2442 -13.2411 -13.2411 -13.2166 -13.2166 -13.2142 -13.2142 -13.1974 -13.1974 -13.1930 -13.1930 -4.6169 -4.6169 -4.6167 -4.6167 1.2368 1.2368 1.2461 1.2461 3.4921 3.4921 3.5325 3.5325 4.5698 4.5698 4.5819 4.5819 5.3518 5.3518 5.3870 5.3870 10.9809 10.9809 11.1518 11.1518 12.0569 12.0569 12.2825 12.2825 k = 0.1622 0.4406 0.7222 ( 4148 PWs) bands (ev): -14.2705 -14.2705 -14.2703 -14.2703 -14.2397 -14.2397 -14.2386 -14.2386 -13.2441 -13.2441 -13.2410 -13.2410 -13.2164 -13.2164 -13.2142 -13.2142 -13.1975 -13.1975 -13.1932 -13.1932 -4.6288 -4.6288 -4.6286 -4.6286 1.2076 1.2076 1.2160 1.2160 3.5610 3.5610 3.6059 3.6059 4.6352 4.6352 4.6604 4.6604 5.3354 5.3354 5.3626 5.3626 10.9729 10.9729 11.1445 11.1445 11.9719 11.9719 12.2023 12.2023 k = 0.1555 0.4222 0.7222 ( 4144 PWs) bands (ev): -14.2704 -14.2704 -14.2703 -14.2703 -14.2397 -14.2397 -14.2386 -14.2386 -13.2440 -13.2440 -13.2409 -13.2409 -13.2163 -13.2163 -13.2141 -13.2141 -13.1975 -13.1975 -13.1934 -13.1934 -4.6411 -4.6411 -4.6409 -4.6409 1.1776 1.1776 1.1852 1.1852 3.6292 3.6292 3.6788 3.6788 4.7052 4.7052 4.7466 4.7466 5.3263 5.3263 5.3423 5.3423 10.9468 10.9468 11.1156 11.1156 11.8894 11.8894 12.1188 12.1188 k = 0.1487 0.4039 0.7222 ( 4152 PWs) bands (ev): -14.2704 -14.2704 -14.2702 -14.2702 -14.2397 -14.2397 -14.2387 -14.2387 -13.2439 -13.2439 -13.2408 -13.2408 -13.2162 -13.2162 -13.2141 -13.2141 -13.1976 -13.1976 -13.1936 -13.1936 -4.6537 -4.6537 -4.6534 -4.6534 1.1473 1.1473 1.1542 1.1542 3.6965 3.6965 3.7506 3.7506 4.7770 4.7770 4.8394 4.8394 5.3271 5.3271 5.3272 5.3272 10.9010 10.9010 11.0625 11.0625 11.8098 11.8098 12.0313 12.0313 k = 0.1419 0.3855 0.7222 ( 4148 PWs) bands (ev): -14.2703 -14.2703 -14.2702 -14.2702 -14.2397 -14.2397 -14.2387 -14.2387 -13.2438 -13.2438 -13.2408 -13.2408 -13.2160 -13.2160 -13.2141 -13.2141 -13.1977 -13.1977 -13.1939 -13.1939 -4.6664 -4.6664 -4.6662 -4.6662 1.1169 1.1169 1.1230 1.1230 3.7623 3.7623 3.8208 3.8208 4.8474 4.8474 4.9371 4.9371 5.3186 5.3186 5.3414 5.3414 10.8352 10.8352 10.9851 10.9851 11.7308 11.7308 11.9376 11.9376 k = 0.1352 0.3671 0.7222 ( 4150 PWs) bands (ev): -14.2703 -14.2703 -14.2702 -14.2702 -14.2398 -14.2398 -14.2388 -14.2388 -13.2437 -13.2437 -13.2407 -13.2407 -13.2159 -13.2159 -13.2141 -13.2141 -13.1978 -13.1978 -13.1941 -13.1941 -4.6793 -4.6793 -4.6790 -4.6790 1.0867 1.0867 1.0921 1.0921 3.8262 3.8262 3.8887 3.8887 4.9126 4.9126 5.0367 5.0367 5.3200 5.3200 5.3730 5.3730 10.7502 10.7502 10.8863 10.8863 11.6481 11.6481 11.8353 11.8353 k = 0.1284 0.3488 0.7222 ( 4138 PWs) bands (ev): -14.2702 -14.2702 -14.2701 -14.2701 -14.2398 -14.2398 -14.2388 -14.2388 -13.2436 -13.2436 -13.2406 -13.2406 -13.2158 -13.2158 -13.2140 -13.2140 -13.1978 -13.1978 -13.1943 -13.1943 -4.6921 -4.6921 -4.6919 -4.6919 1.0568 1.0568 1.0616 1.0616 3.8876 3.8876 3.9536 3.9536 4.9697 4.9697 5.1307 5.1307 5.3387 5.3387 5.4249 5.4249 10.6484 10.6484 10.7699 10.7699 11.5573 11.5573 11.7232 11.7232 k = 0.1217 0.3304 0.7222 ( 4150 PWs) bands (ev): -14.2701 -14.2701 -14.2701 -14.2701 -14.2398 -14.2398 -14.2389 -14.2389 -13.2435 -13.2435 -13.2406 -13.2406 -13.2156 -13.2156 -13.2140 -13.2140 -13.1979 -13.1979 -13.1945 -13.1945 -4.7049 -4.7049 -4.7047 -4.7047 1.0274 1.0274 1.0318 1.0318 3.9458 3.9458 4.0146 4.0146 5.0188 5.0188 5.2043 5.2043 5.3897 5.3897 5.4976 5.4976 10.5326 10.5326 10.6404 10.6404 11.4558 11.4558 11.6011 11.6011 k = 0.1149 0.3121 0.7222 ( 4154 PWs) bands (ev): -14.2701 -14.2701 -14.2701 -14.2701 -14.2398 -14.2398 -14.2389 -14.2389 -13.2434 -13.2434 -13.2405 -13.2405 -13.2155 -13.2155 -13.2140 -13.2140 -13.1980 -13.1980 -13.1948 -13.1948 -4.7175 -4.7175 -4.7173 -4.7173 0.9989 0.9989 1.0027 1.0027 4.0002 4.0002 4.0706 4.0706 5.0630 5.0630 5.2511 5.2511 5.4795 5.4795 5.5883 5.5883 10.4056 10.4056 10.5013 10.5013 11.3430 11.3430 11.4703 11.4703 k = 0.1082 0.2937 0.7222 ( 4144 PWs) bands (ev): -14.2700 -14.2700 -14.2700 -14.2700 -14.2399 -14.2399 -14.2390 -14.2390 -13.2432 -13.2432 -13.2405 -13.2405 -13.2153 -13.2153 -13.2140 -13.2140 -13.1980 -13.1980 -13.1950 -13.1950 -4.7299 -4.7299 -4.7296 -4.7296 0.9712 0.9712 0.9746 0.9746 4.0500 4.0500 4.1207 4.1207 5.1068 5.1068 5.2861 5.2861 5.5931 5.5931 5.6930 5.6930 10.2704 10.2704 10.3556 10.3556 11.2200 11.2200 11.3322 11.3322 k = 0.1014 0.2754 0.7222 ( 4146 PWs) bands (ev): -14.2700 -14.2700 -14.2700 -14.2700 -14.2399 -14.2399 -14.2391 -14.2391 -13.2431 -13.2431 -13.2405 -13.2405 -13.2152 -13.2152 -13.2140 -13.2140 -13.1981 -13.1981 -13.1952 -13.1952 -4.7419 -4.7419 -4.7417 -4.7417 0.9446 0.9446 0.9476 0.9476 4.0946 4.0946 4.1643 4.1643 5.1537 5.1537 5.3217 5.3217 5.7182 5.7182 5.8081 5.8081 10.1293 10.1293 10.2056 10.2056 11.0884 11.0884 11.1882 11.1882 k = 0.0946 0.2570 0.7222 ( 4130 PWs) bands (ev): -14.2700 -14.2700 -14.2700 -14.2700 -14.2399 -14.2399 -14.2391 -14.2391 -13.2430 -13.2430 -13.2404 -13.2404 -13.2151 -13.2151 -13.2139 -13.2139 -13.1981 -13.1981 -13.1954 -13.1954 -4.7536 -4.7536 -4.7533 -4.7533 0.9192 0.9192 0.9218 0.9218 4.1336 4.1336 4.2008 4.2008 5.2062 5.2062 5.3626 5.3626 5.8495 5.8495 5.9307 5.9307 9.9844 9.9844 10.0533 10.0533 10.9500 10.9500 11.0396 11.0396 k = 0.0879 0.2386 0.7222 ( 4134 PWs) bands (ev): -14.2699 -14.2699 -14.2699 -14.2699 -14.2399 -14.2399 -14.2392 -14.2392 -13.2429 -13.2429 -13.2404 -13.2404 -13.2149 -13.2149 -13.2139 -13.2139 -13.1981 -13.1981 -13.1956 -13.1956 -4.7647 -4.7647 -4.7645 -4.7645 0.8951 0.8951 0.8974 0.8974 4.1670 4.1670 4.2304 4.2304 5.2654 5.2654 5.4103 5.4103 5.9849 5.9849 6.0589 6.0589 9.8376 9.8376 9.9003 9.9003 10.8064 10.8064 10.8875 10.8875 k = 0.0811 0.2203 0.7222 ( 4130 PWs) bands (ev): -14.2699 -14.2699 -14.2699 -14.2699 -14.2399 -14.2399 -14.2392 -14.2392 -13.2427 -13.2427 -13.2404 -13.2404 -13.2148 -13.2148 -13.2139 -13.2139 -13.1982 -13.1982 -13.1959 -13.1959 -4.7753 -4.7753 -4.7751 -4.7751 0.8725 0.8725 0.8744 0.8744 4.1949 4.1949 4.2534 4.2534 5.3315 5.3315 5.4651 5.4651 6.1229 6.1229 6.1910 6.1910 9.6906 9.6906 9.7479 9.7479 10.6591 10.6591 10.7330 10.7330 k = 0.0744 0.2019 0.7222 ( 4118 PWs) bands (ev): -14.2699 -14.2699 -14.2698 -14.2698 -14.2399 -14.2399 -14.2393 -14.2393 -13.2426 -13.2426 -13.2405 -13.2405 -13.2147 -13.2147 -13.2138 -13.2138 -13.1982 -13.1982 -13.1961 -13.1961 -4.7853 -4.7853 -4.7851 -4.7851 0.8513 0.8513 0.8530 0.8530 4.2175 4.2175 4.2706 4.2706 5.4038 5.4038 5.5263 5.5263 6.2625 6.2625 6.3258 6.3258 9.5451 9.5451 9.5975 9.5975 10.5094 10.5094 10.5771 10.5771 k = 0.0676 0.1836 0.7222 ( 4122 PWs) bands (ev): -14.2699 -14.2699 -14.2698 -14.2698 -14.2399 -14.2399 -14.2393 -14.2393 -13.2425 -13.2425 -13.2405 -13.2405 -13.2146 -13.2146 -13.2138 -13.2138 -13.1982 -13.1982 -13.1963 -13.1963 -4.7946 -4.7946 -4.7944 -4.7944 0.8317 0.8317 0.8332 0.8332 4.2356 4.2356 4.2830 4.2830 5.4812 5.4812 5.5929 5.5929 6.4026 6.4026 6.4618 6.4618 9.4024 9.4024 9.4505 9.4505 10.3586 10.3586 10.4209 10.4209 k = 0.0608 0.1652 0.7222 ( 4110 PWs) bands (ev): -14.2698 -14.2698 -14.2698 -14.2698 -14.2399 -14.2399 -14.2394 -14.2394 -13.2423 -13.2423 -13.2405 -13.2405 -13.2144 -13.2144 -13.2138 -13.2138 -13.1982 -13.1982 -13.1964 -13.1964 -4.8032 -4.8032 -4.8030 -4.8030 0.8138 0.8138 0.8151 0.8151 4.2498 4.2498 4.2913 4.2913 5.5623 5.5623 5.6635 5.6635 6.5422 6.5422 6.5978 6.5978 9.2644 9.2644 9.3083 9.3083 10.2081 10.2081 10.2654 10.2654 k = 0.0541 0.1469 0.7222 ( 4114 PWs) bands (ev): -14.2698 -14.2698 -14.2697 -14.2697 -14.2399 -14.2399 -14.2394 -14.2394 -13.2422 -13.2422 -13.2406 -13.2406 -13.2143 -13.2143 -13.2138 -13.2138 -13.1982 -13.1982 -13.1966 -13.1966 -4.8111 -4.8111 -4.8109 -4.8109 0.7977 0.7977 0.7987 0.7987 4.2606 4.2606 4.2966 4.2966 5.6454 5.6454 5.7363 5.7363 6.6800 6.6800 6.7323 6.7323 9.1327 9.1327 9.1726 9.1726 10.0593 10.0593 10.1120 10.1120 k = 0.0473 0.1285 0.7222 ( 4114 PWs) bands (ev): -14.2698 -14.2698 -14.2697 -14.2697 -14.2399 -14.2399 -14.2395 -14.2395 -13.2421 -13.2421 -13.2406 -13.2406 -13.2142 -13.2142 -13.2138 -13.2138 -13.1981 -13.1981 -13.1968 -13.1968 -4.8181 -4.8181 -4.8179 -4.8179 0.7833 0.7833 0.7841 0.7841 4.2689 4.2689 4.2995 4.2995 5.7285 5.7285 5.8094 5.8094 6.8144 6.8144 6.8635 6.8635 9.0093 9.0093 9.0451 9.0451 9.9141 9.9141 9.9622 9.9622 k = 0.0406 0.1101 0.7222 ( 4114 PWs) bands (ev): -14.2697 -14.2697 -14.2697 -14.2697 -14.2399 -14.2399 -14.2395 -14.2395 -13.2420 -13.2420 -13.2407 -13.2407 -13.2141 -13.2141 -13.2137 -13.2137 -13.1981 -13.1981 -13.1970 -13.1970 -4.8242 -4.8242 -4.8241 -4.8241 0.7707 0.7707 0.7714 0.7714 4.2752 4.2752 4.3007 4.3007 5.8096 5.8096 5.8804 5.8804 6.9434 6.9434 6.9891 6.9891 8.8964 8.8964 8.9279 8.9279 9.7745 9.7745 9.8180 9.8180 k = 0.0338 0.0918 0.7222 ( 4114 PWs) bands (ev): -14.2697 -14.2697 -14.2697 -14.2697 -14.2399 -14.2399 -14.2396 -14.2396 -13.2418 -13.2418 -13.2408 -13.2408 -13.2141 -13.2141 -13.2137 -13.2137 -13.1981 -13.1981 -13.1971 -13.1971 -4.8295 -4.8295 -4.8294 -4.8294 0.7600 0.7600 0.7606 0.7606 4.2799 4.2799 4.3007 4.3007 5.8864 5.8864 5.9468 5.9468 7.0644 7.0644 7.1061 7.1061 8.7966 8.7966 8.8234 8.8234 9.6435 9.6435 9.6819 9.6819 k = 0.0270 0.0734 0.7222 ( 4114 PWs) bands (ev): -14.2697 -14.2697 -14.2697 -14.2697 -14.2399 -14.2399 -14.2396 -14.2396 -13.2417 -13.2417 -13.2408 -13.2408 -13.2140 -13.2140 -13.2137 -13.2137 -13.1980 -13.1980 -13.1973 -13.1973 -4.8338 -4.8338 -4.8337 -4.8337 0.7512 0.7512 0.7517 0.7517 4.2836 4.2836 4.2999 4.2999 5.9562 5.9562 6.0058 6.0058 7.1740 7.1740 7.2107 7.2107 8.7124 8.7124 8.7342 8.7342 9.5246 9.5246 9.5575 9.5575 k = 0.0203 0.0551 0.7222 ( 4106 PWs) bands (ev): -14.2697 -14.2697 -14.2697 -14.2697 -14.2398 -14.2398 -14.2397 -14.2397 -13.2416 -13.2416 -13.2409 -13.2409 -13.2139 -13.2139 -13.2137 -13.2137 -13.1980 -13.1980 -13.1974 -13.1974 -4.8372 -4.8372 -4.8372 -4.8372 0.7444 0.7444 0.7447 0.7447 4.2866 4.2866 4.2985 4.2985 6.0163 6.0163 6.0545 6.0545 7.2680 7.2680 7.2983 7.2983 8.6461 8.6461 8.6627 8.6627 9.4229 9.4229 9.4493 9.4493 k = 0.0135 0.0367 0.7222 ( 4114 PWs) bands (ev): -14.2697 -14.2697 -14.2697 -14.2697 -14.2398 -14.2398 -14.2397 -14.2397 -13.2415 -13.2415 -13.2410 -13.2410 -13.2139 -13.2139 -13.2137 -13.2137 -13.1979 -13.1979 -13.1975 -13.1975 -4.8397 -4.8397 -4.8396 -4.8396 0.7395 0.7395 0.7397 0.7397 4.2890 4.2890 4.2969 4.2969 6.0638 6.0638 6.0898 6.0898 7.3420 7.3420 7.3638 7.3638 8.5996 8.5996 8.6108 8.6108 9.3444 9.3444 9.3631 9.3631 k = 0.0068 0.0184 0.7222 ( 4110 PWs) bands (ev): -14.2697 -14.2697 -14.2697 -14.2697 -14.2398 -14.2398 -14.2397 -14.2397 -13.2413 -13.2413 -13.2411 -13.2411 -13.2138 -13.2138 -13.2138 -13.2138 -13.1978 -13.1978 -13.1976 -13.1976 -4.8411 -4.8411 -4.8411 -4.8411 0.7366 0.7366 0.7367 0.7367 4.2912 4.2912 4.2951 4.2951 6.0963 6.0963 6.1095 6.1095 7.3912 7.3912 7.4027 7.4027 8.5732 8.5732 8.5788 8.5788 9.2956 9.2956 9.3054 9.3054 k = 0.0000 0.0000 0.7222 ( 4106 PWs) bands (ev): -14.2697 -14.2697 -14.2697 -14.2697 -14.2398 -14.2398 -14.2398 -14.2398 -13.2412 -13.2412 -13.2412 -13.2412 -13.2138 -13.2138 -13.2138 -13.2138 -13.1977 -13.1977 -13.1977 -13.1977 -4.8416 -4.8416 -4.8416 -4.8416 0.7356 0.7356 0.7356 0.7356 4.2932 4.2932 4.2932 4.2932 6.1118 6.1118 6.1118 6.1118 7.4121 7.4121 7.4121 7.4121 8.5665 8.5665 8.5665 8.5665 9.2820 9.2820 9.2820 9.2820 k = 0.0000 0.0000 0.7222 ( 4106 PWs) bands (ev): -14.2697 -14.2697 -14.2697 -14.2697 -14.2398 -14.2398 -14.2398 -14.2398 -13.2412 -13.2412 -13.2412 -13.2412 -13.2138 -13.2138 -13.2138 -13.2138 -13.1977 -13.1977 -13.1977 -13.1977 -4.8416 -4.8416 -4.8416 -4.8416 0.7356 0.7356 0.7356 0.7356 4.2932 4.2932 4.2932 4.2932 6.1118 6.1118 6.1118 6.1118 7.4121 7.4121 7.4121 7.4121 8.5665 8.5665 8.5665 8.5665 9.2820 9.2820 9.2820 9.2820 k = 0.0000 0.0000 0.7027 ( 4120 PWs) bands (ev): -14.2698 -14.2698 -14.2696 -14.2696 -14.2400 -14.2400 -14.2396 -14.2396 -13.2414 -13.2414 -13.2411 -13.2411 -13.2143 -13.2143 -13.2133 -13.2133 -13.1981 -13.1981 -13.1974 -13.1974 -4.8766 -4.8766 -4.8074 -4.8074 0.7149 0.7149 0.7601 0.7601 4.2249 4.2249 4.3614 4.3614 6.0822 6.0822 6.1366 6.1366 7.3845 7.3845 7.4271 7.4271 8.5624 8.5624 8.5876 8.5876 9.2552 9.2552 9.3190 9.3190 k = 0.0000 0.0000 0.6831 ( 4124 PWs) bands (ev): -14.2698 -14.2698 -14.2695 -14.2695 -14.2402 -14.2402 -14.2393 -14.2393 -13.2415 -13.2415 -13.2410 -13.2410 -13.2148 -13.2148 -13.2127 -13.2127 -13.1985 -13.1985 -13.1970 -13.1970 -4.9122 -4.9122 -4.7740 -4.7740 0.6982 0.6982 0.7883 0.7883 4.1568 4.1568 4.4292 4.4292 6.0482 6.0482 6.1563 6.1563 7.3464 7.3464 7.4287 7.4287 8.5759 8.5759 8.6241 8.6241 9.2390 9.2390 9.3655 9.3655 k = 0.0000 0.0000 0.6636 ( 4128 PWs) bands (ev): -14.2699 -14.2699 -14.2694 -14.2694 -14.2404 -14.2404 -14.2391 -14.2391 -13.2416 -13.2416 -13.2409 -13.2409 -13.2154 -13.2154 -13.2122 -13.2122 -13.1988 -13.1988 -13.1967 -13.1967 -4.9483 -4.9483 -4.7416 -4.7416 0.6855 0.6855 0.8199 0.8199 4.0892 4.0892 4.4963 4.4963 6.0104 6.0104 6.1705 6.1705 7.3002 7.3002 7.4174 7.4174 8.6063 8.6063 8.6741 8.6741 9.2340 9.2340 9.4211 9.4211 k = 0.0000 0.0000 0.6441 ( 4128 PWs) bands (ev): -14.2700 -14.2700 -14.2693 -14.2693 -14.2407 -14.2407 -14.2389 -14.2389 -13.2417 -13.2417 -13.2408 -13.2408 -13.2159 -13.2159 -13.2117 -13.2117 -13.1992 -13.1992 -13.1964 -13.1964 -4.9848 -4.9848 -4.7103 -4.7103 0.6769 0.6769 0.8548 0.8548 4.0224 4.0224 4.5621 4.5621 5.9694 5.9694 6.1790 6.1790 7.2482 7.2482 7.3946 7.3946 8.6515 8.6515 8.7353 8.7353 9.2403 9.2403 9.4850 9.4850 k = 0.0000 0.0000 0.6246 ( 4120 PWs) bands (ev): -14.2701 -14.2701 -14.2693 -14.2693 -14.2409 -14.2409 -14.2388 -14.2388 -13.2419 -13.2419 -13.2407 -13.2407 -13.2164 -13.2164 -13.2111 -13.2111 -13.1996 -13.1996 -13.1961 -13.1961 -5.0216 -5.0216 -4.6802 -4.6802 0.6726 0.6726 0.8928 0.8928 3.9565 3.9565 4.6262 4.6262 5.9256 5.9256 6.1819 6.1819 7.1928 7.1928 7.3626 7.3626 8.7092 8.7092 8.8058 8.8058 9.2581 9.2581 9.5567 9.5567 k = 0.0000 0.0000 0.6051 ( 4120 PWs) bands (ev): -14.2702 -14.2702 -14.2692 -14.2692 -14.2412 -14.2412 -14.2386 -14.2386 -13.2420 -13.2420 -13.2406 -13.2406 -13.2169 -13.2169 -13.2106 -13.2106 -13.2001 -13.2001 -13.1958 -13.1958 -5.0585 -5.0585 -4.6513 -4.6513 0.6727 0.6727 0.9337 0.9337 3.8917 3.8917 4.6881 4.6881 5.8797 5.8797 6.1793 6.1793 7.1360 7.1360 7.3234 7.3234 8.7767 8.7767 8.8840 8.8840 9.2877 9.2877 9.6355 9.6355 k = 0.0000 0.0000 0.5855 ( 4120 PWs) bands (ev): -14.2703 -14.2703 -14.2691 -14.2691 -14.2414 -14.2414 -14.2384 -14.2384 -13.2421 -13.2421 -13.2405 -13.2405 -13.2173 -13.2173 -13.2101 -13.2101 -13.2005 -13.2005 -13.1955 -13.1955 -5.0954 -5.0954 -4.6238 -4.6238 0.6771 0.6771 0.9772 0.9772 3.8283 3.8283 4.7470 4.7470 5.8322 5.8322 6.1714 6.1714 7.0792 7.0792 7.2793 7.2793 8.8517 8.8517 8.9686 8.9686 9.3289 9.3289 9.7210 9.7210 k = 0.0000 0.0000 0.5660 ( 4114 PWs) bands (ev): -14.2704 -14.2704 -14.2690 -14.2690 -14.2416 -14.2416 -14.2382 -14.2382 -13.2422 -13.2422 -13.2404 -13.2404 -13.2178 -13.2178 -13.2096 -13.2096 -13.2009 -13.2009 -13.1953 -13.1953 -5.1322 -5.1322 -4.5976 -4.5976 0.6859 0.6859 1.0231 1.0231 3.7664 3.7664 4.8024 4.8024 5.7835 5.7835 6.1584 6.1584 7.0239 7.0239 7.2319 7.2319 8.9325 8.9325 9.0584 9.0584 9.3816 9.3816 9.8126 9.8126 k = 0.0000 0.0000 0.5465 ( 4118 PWs) bands (ev): -14.2705 -14.2705 -14.2690 -14.2690 -14.2419 -14.2419 -14.2381 -14.2381 -13.2423 -13.2423 -13.2403 -13.2403 -13.2182 -13.2182 -13.2091 -13.2091 -13.2013 -13.2013 -13.1950 -13.1950 -5.1688 -5.1688 -4.5729 -4.5729 0.6991 0.6991 1.0712 1.0712 3.7062 3.7062 4.8535 4.8535 5.7341 5.7341 6.1409 6.1409 6.9711 6.9711 7.1825 7.1825 9.0176 9.0176 9.1525 9.1525 9.4454 9.4454 9.9097 9.9097 k = 0.0000 0.0000 0.5270 ( 4120 PWs) bands (ev): -14.2706 -14.2706 -14.2689 -14.2689 -14.2421 -14.2421 -14.2379 -14.2379 -13.2425 -13.2425 -13.2403 -13.2403 -13.2187 -13.2187 -13.2086 -13.2086 -13.2017 -13.2017 -13.1948 -13.1948 -5.2050 -5.2050 -4.5497 -4.5497 0.7166 0.7166 1.1213 1.1213 3.6478 3.6478 4.8994 4.8994 5.6845 5.6845 6.1193 6.1193 6.9220 6.9220 7.1323 7.1323 9.1060 9.1060 9.2498 9.2498 9.5201 9.5201 10.0119 10.0119 k = 0.0000 0.0000 0.5075 ( 4116 PWs) bands (ev): -14.2707 -14.2707 -14.2689 -14.2689 -14.2424 -14.2424 -14.2378 -14.2378 -13.2426 -13.2426 -13.2402 -13.2402 -13.2191 -13.2191 -13.2082 -13.2082 -13.2021 -13.2021 -13.1946 -13.1946 -5.2408 -5.2408 -4.5280 -4.5280 0.7385 0.7385 1.1729 1.1729 3.5913 3.5913 4.9393 4.9393 5.6352 5.6352 6.0940 6.0940 6.8771 6.8771 7.0824 7.0824 9.1971 9.1971 9.3497 9.3497 9.6049 9.6049 10.1187 10.1187 k = 0.0000 0.0000 0.4880 ( 4112 PWs) bands (ev): -14.2708 -14.2708 -14.2688 -14.2688 -14.2426 -14.2426 -14.2377 -14.2377 -13.2427 -13.2427 -13.2402 -13.2402 -13.2195 -13.2195 -13.2078 -13.2078 -13.2025 -13.2025 -13.1943 -13.1943 -5.2761 -5.2761 -4.5078 -4.5078 0.7645 0.7645 1.2260 1.2260 3.5369 3.5369 4.9724 4.9724 5.5865 5.5865 6.0657 6.0657 6.8370 6.8370 7.0336 7.0336 9.2905 9.2905 9.4515 9.4515 9.6991 9.6991 10.2298 10.2298 k = 0.0000 0.0000 0.4684 ( 4120 PWs) bands (ev): -14.2709 -14.2709 -14.2687 -14.2687 -14.2429 -14.2429 -14.2375 -14.2375 -13.2428 -13.2428 -13.2402 -13.2402 -13.2199 -13.2199 -13.2074 -13.2074 -13.2028 -13.2028 -13.1941 -13.1941 -5.3107 -5.3107 -4.4891 -4.4891 0.7946 0.7946 1.2801 1.2801 3.4848 3.4848 4.9977 4.9977 5.5389 5.5389 6.0348 6.0348 6.8017 6.8017 6.9872 6.9872 9.3860 9.3860 9.5549 9.5549 9.8017 9.8017 10.3447 10.3447 k = 0.0000 0.0000 0.4489 ( 4124 PWs) bands (ev): -14.2710 -14.2710 -14.2687 -14.2687 -14.2431 -14.2431 -14.2374 -14.2374 -13.2428 -13.2428 -13.2401 -13.2401 -13.2203 -13.2203 -13.2072 -13.2072 -13.2031 -13.2031 -13.1939 -13.1939 -5.3445 -5.3445 -4.4719 -4.4719 0.8287 0.8287 1.3350 1.3350 3.4350 3.4350 5.0146 5.0146 5.4926 5.4926 6.0018 6.0018 6.7706 6.7706 6.9446 6.9446 9.4834 9.4834 9.6597 9.6597 9.9115 9.9115 10.4630 10.4630 k = 0.0000 0.0000 0.4294 ( 4122 PWs) bands (ev): -14.2711 -14.2711 -14.2686 -14.2686 -14.2433 -14.2433 -14.2373 -14.2373 -13.2429 -13.2429 -13.2401 -13.2401 -13.2206 -13.2206 -13.2070 -13.2070 -13.2033 -13.2033 -13.1937 -13.1937 -5.3776 -5.3776 -4.4562 -4.4562 0.8666 0.8666 1.3903 1.3903 3.3878 3.3878 5.0226 5.0226 5.4480 5.4480 5.9673 5.9673 6.7421 6.7421 6.9079 6.9079 9.5826 9.5826 9.7656 9.7656 10.0275 10.0275 10.5844 10.5844 k = 0.0000 0.0000 0.4099 ( 4118 PWs) bands (ev): -14.2712 -14.2712 -14.2686 -14.2686 -14.2436 -14.2436 -14.2372 -14.2372 -13.2430 -13.2430 -13.2401 -13.2401 -13.2210 -13.2210 -13.2069 -13.2069 -13.2035 -13.2035 -13.1935 -13.1935 -5.4097 -5.4097 -4.4419 -4.4419 0.9080 0.9080 1.4457 1.4457 3.3431 3.3431 5.0217 5.0217 5.4052 5.4052 5.9317 5.9317 6.7140 6.7140 6.8795 6.8795 9.6835 9.6835 9.8727 9.8727 10.1487 10.1487 10.7084 10.7084 k = 0.0000 0.0000 0.3904 ( 4124 PWs) bands (ev): -14.2713 -14.2713 -14.2685 -14.2685 -14.2438 -14.2438 -14.2371 -14.2371 -13.2431 -13.2431 -13.2402 -13.2402 -13.2213 -13.2213 -13.2069 -13.2069 -13.2035 -13.2035 -13.1933 -13.1933 -5.4408 -5.4408 -4.4289 -4.4289 0.9528 0.9528 1.5008 1.5008 3.3012 3.3012 5.0120 5.0120 5.3643 5.3643 5.8955 5.8955 6.6839 6.6839 6.8618 6.8618 9.7858 9.7858 9.9806 9.9806 10.2741 10.2741 10.8347 10.8347 k = 0.0000 0.0000 0.3708 ( 4116 PWs) bands (ev): -14.2714 -14.2714 -14.2685 -14.2685 -14.2440 -14.2440 -14.2371 -14.2371 -13.2431 -13.2431 -13.2402 -13.2402 -13.2216 -13.2216 -13.2070 -13.2070 -13.2034 -13.2034 -13.1931 -13.1931 -5.4708 -5.4708 -4.4173 -4.4173 1.0007 1.0007 1.5553 1.5553 3.2622 3.2622 4.9942 4.9942 5.3250 5.3250 5.8593 5.8593 6.6508 6.6508 6.8552 6.8552 9.8892 9.8892 10.0894 10.0894 10.4028 10.4028 10.9629 10.9629 k = 0.0000 0.0000 0.3513 ( 4104 PWs) bands (ev): -14.2715 -14.2715 -14.2685 -14.2685 -14.2442 -14.2442 -14.2370 -14.2370 -13.2432 -13.2432 -13.2402 -13.2402 -13.2219 -13.2219 -13.2073 -13.2073 -13.2033 -13.2033 -13.1929 -13.1929 -5.4997 -5.4997 -4.4069 -4.4069 1.0513 1.0513 1.6088 1.6088 3.2262 3.2262 4.9691 4.9691 5.2873 5.2873 5.8233 5.8233 6.6153 6.6153 6.8584 6.8584 9.9936 9.9936 10.1986 10.1986 10.5343 10.5343 11.0923 11.0923 k = 0.0000 0.0000 0.3318 ( 4108 PWs) bands (ev): -14.2715 -14.2715 -14.2684 -14.2684 -14.2444 -14.2444 -14.2369 -14.2369 -13.2432 -13.2432 -13.2403 -13.2403 -13.2222 -13.2222 -13.2075 -13.2075 -13.2031 -13.2031 -13.1927 -13.1927 -5.5273 -5.5273 -4.3977 -4.3977 1.1043 1.1043 1.6609 1.6609 3.1933 3.1933 4.9381 4.9381 5.2507 5.2507 5.7879 5.7879 6.5787 6.5787 6.8695 6.8695 10.0985 10.0985 10.3081 10.3081 10.6677 10.6677 11.2226 11.2226 k = 0.0000 0.0000 0.3123 ( 4102 PWs) bands (ev): -14.2716 -14.2716 -14.2684 -14.2684 -14.2446 -14.2446 -14.2368 -14.2368 -13.2432 -13.2432 -13.2403 -13.2403 -13.2225 -13.2225 -13.2078 -13.2078 -13.2029 -13.2029 -13.1925 -13.1925 -5.5537 -5.5537 -4.3896 -4.3896 1.1594 1.1594 1.7112 1.7112 3.1637 3.1637 4.9021 4.9021 5.2152 5.2152 5.7535 5.7535 6.5419 6.5419 6.8864 6.8864 10.2035 10.2035 10.4174 10.4174 10.8025 10.8025 11.3528 11.3528 k = 0.0000 0.0000 0.2928 ( 4102 PWs) bands (ev): -14.2717 -14.2717 -14.2684 -14.2684 -14.2448 -14.2448 -14.2368 -14.2368 -13.2433 -13.2433 -13.2404 -13.2404 -13.2227 -13.2227 -13.2081 -13.2081 -13.2027 -13.2027 -13.1923 -13.1923 -5.5788 -5.5788 -4.3824 -4.3824 1.2162 1.2162 1.7593 1.7593 3.1373 3.1373 4.8622 4.8622 5.1807 5.1807 5.7204 5.7204 6.5057 6.5057 6.9075 6.9075 10.3083 10.3083 10.5262 10.5262 10.9380 10.9380 11.4820 11.4820 k = 0.0000 0.0000 0.2733 ( 4098 PWs) bands (ev): -14.2718 -14.2718 -14.2683 -14.2683 -14.2450 -14.2450 -14.2367 -14.2367 -13.2433 -13.2433 -13.2405 -13.2405 -13.2229 -13.2229 -13.2084 -13.2084 -13.2026 -13.2026 -13.1921 -13.1921 -5.6024 -5.6024 -4.3763 -4.3763 1.2741 1.2741 1.8048 1.8048 3.1144 3.1144 4.8194 4.8194 5.1473 5.1473 5.6886 5.6886 6.4707 6.4707 6.9313 6.9313 10.4123 10.4123 10.6338 10.6338 11.0733 11.0733 11.6080 11.6080 k = 0.0000 0.0000 0.2537 ( 4094 PWs) bands (ev): -14.2719 -14.2719 -14.2683 -14.2683 -14.2451 -14.2451 -14.2367 -14.2367 -13.2433 -13.2433 -13.2406 -13.2406 -13.2231 -13.2231 -13.2087 -13.2087 -13.2024 -13.2024 -13.1919 -13.1919 -5.6247 -5.6247 -4.3709 -4.3709 1.3327 1.3327 1.8474 1.8474 3.0948 3.0948 4.7744 4.7744 5.1151 5.1151 5.6584 5.6584 6.4372 6.4372 6.9568 6.9568 10.5150 10.5150 10.7397 10.7397 11.2073 11.2073 11.7254 11.7254 k = 0.0000 0.0000 0.2342 ( 4088 PWs) bands (ev): -14.2720 -14.2720 -14.2683 -14.2683 -14.2453 -14.2453 -14.2366 -14.2366 -13.2433 -13.2433 -13.2407 -13.2407 -13.2233 -13.2233 -13.2090 -13.2090 -13.2022 -13.2022 -13.1917 -13.1917 -5.6455 -5.6455 -4.3663 -4.3663 1.3915 1.3915 1.8868 1.8868 3.0786 3.0786 4.7281 4.7281 5.0845 5.0845 5.6300 5.6300 6.4055 6.4055 6.9829 6.9829 10.6159 10.6159 10.8432 10.8432 11.3385 11.3385 11.8139 11.8139 k = 0.0000 0.0000 0.2147 ( 4098 PWs) bands (ev): -14.2720 -14.2720 -14.2683 -14.2683 -14.2454 -14.2454 -14.2366 -14.2366 -13.2433 -13.2433 -13.2408 -13.2408 -13.2235 -13.2235 -13.2093 -13.2093 -13.2021 -13.2021 -13.1915 -13.1915 -5.6647 -5.6647 -4.3625 -4.3625 1.4498 1.4498 1.9228 1.9228 3.0656 3.0656 4.6811 4.6811 5.0556 5.0556 5.6035 5.6035 6.3757 6.3757 7.0090 7.0090 10.7142 10.7142 10.9434 10.9434 11.4635 11.4635 11.8330 11.8330 k = 0.0000 0.0000 0.1952 ( 4094 PWs) bands (ev): -14.2721 -14.2721 -14.2682 -14.2682 -14.2456 -14.2456 -14.2366 -14.2366 -13.2432 -13.2432 -13.2409 -13.2409 -13.2237 -13.2237 -13.2096 -13.2096 -13.2019 -13.2019 -13.1913 -13.1913 -5.6824 -5.6824 -4.3592 -4.3592 1.5070 1.5070 1.9552 1.9552 3.0557 3.0557 4.6342 4.6342 5.0287 5.0287 5.5790 5.5790 6.3480 6.3480 7.0342 7.0342 10.8091 10.8091 11.0392 11.0392 11.5731 11.5731 11.8192 11.8192 k = 0.0000 0.0000 0.1757 ( 4088 PWs) bands (ev): -14.2721 -14.2721 -14.2682 -14.2682 -14.2457 -14.2457 -14.2366 -14.2366 -13.2432 -13.2432 -13.2410 -13.2410 -13.2238 -13.2238 -13.2098 -13.2098 -13.2018 -13.2018 -13.1912 -13.1912 -5.6985 -5.6985 -4.3565 -4.3565 1.5624 1.5624 1.9839 1.9839 3.0487 3.0487 4.5881 4.5881 5.0040 5.0040 5.5565 5.5565 6.3226 6.3226 7.0580 7.0580 10.8995 10.8995 11.1295 11.1295 11.6384 11.6384 11.8353 11.8353 k = 0.0000 0.0000 0.1561 ( 4086 PWs) bands (ev): -14.2722 -14.2722 -14.2682 -14.2682 -14.2458 -14.2458 -14.2365 -14.2365 -13.2432 -13.2432 -13.2411 -13.2411 -13.2239 -13.2239 -13.2101 -13.2101 -13.2017 -13.2017 -13.1910 -13.1910 -5.7130 -5.7130 -4.3542 -4.3542 1.6153 1.6153 2.0089 2.0089 3.0442 3.0442 4.5435 4.5435 4.9816 4.9816 5.5362 5.5362 6.2995 6.2995 7.0802 7.0802 10.9844 10.9844 11.2126 11.2126 11.6400 11.6400 11.9001 11.9001 k = 0.0000 0.0000 0.1366 ( 4086 PWs) bands (ev): -14.2723 -14.2723 -14.2682 -14.2682 -14.2459 -14.2459 -14.2365 -14.2365 -13.2431 -13.2431 -13.2412 -13.2412 -13.2240 -13.2240 -13.2103 -13.2103 -13.2016 -13.2016 -13.1909 -13.1909 -5.7258 -5.7258 -4.3524 -4.3524 1.6647 1.6647 2.0302 2.0302 3.0417 3.0417 4.5014 4.5014 4.9617 4.9617 5.5181 5.5181 6.2788 6.2788 7.1003 7.1003 11.0623 11.0623 11.2869 11.2869 11.6145 11.6145 11.9099 11.9099 k = 0.0000 0.0000 0.1171 ( 4088 PWs) bands (ev): -14.2723 -14.2723 -14.2682 -14.2682 -14.2460 -14.2460 -14.2365 -14.2365 -13.2431 -13.2431 -13.2413 -13.2413 -13.2241 -13.2241 -13.2104 -13.2104 -13.2016 -13.2016 -13.1907 -13.1907 -5.7370 -5.7370 -4.3509 -4.3509 1.7100 1.7100 2.0481 2.0481 3.0410 3.0410 4.4625 4.4625 4.9443 4.9443 5.5023 5.5023 6.2607 6.2607 7.1180 7.1180 11.1316 11.1316 11.3506 11.3506 11.5841 11.5841 11.8908 11.8908 k = 0.0000 0.0000 0.0976 ( 4094 PWs) bands (ev): -14.2723 -14.2723 -14.2682 -14.2682 -14.2460 -14.2460 -14.2365 -14.2365 -13.2430 -13.2430 -13.2414 -13.2414 -13.2242 -13.2242 -13.2106 -13.2106 -13.2015 -13.2015 -13.1906 -13.1906 -5.7465 -5.7465 -4.3497 -4.3497 1.7502 1.7502 2.0628 2.0628 3.0414 3.0414 4.4277 4.4277 4.9294 4.9294 5.4888 5.4888 6.2453 6.2453 7.1332 7.1332 11.1906 11.1906 11.4025 11.4025 11.5555 11.5555 11.8810 11.8810 k = 0.0000 0.0000 0.0781 ( 4096 PWs) bands (ev): -14.2724 -14.2724 -14.2682 -14.2682 -14.2461 -14.2461 -14.2365 -14.2365 -13.2430 -13.2430 -13.2415 -13.2415 -13.2243 -13.2243 -13.2107 -13.2107 -13.2015 -13.2015 -13.1905 -13.1905 -5.7543 -5.7543 -4.3488 -4.3488 1.7845 1.7845 2.0743 2.0743 3.0424 3.0424 4.3978 4.3978 4.9173 4.9173 5.4777 5.4777 6.2325 6.2325 7.1458 7.1458 11.2378 11.2378 11.4420 11.4420 11.5313 11.5313 11.8821 11.8821 k = 0.0000 0.0000 0.0586 ( 4092 PWs) bands (ev): -14.2724 -14.2724 -14.2682 -14.2682 -14.2461 -14.2461 -14.2365 -14.2365 -13.2429 -13.2429 -13.2416 -13.2416 -13.2243 -13.2243 -13.2108 -13.2108 -13.2014 -13.2014 -13.1905 -13.1905 -5.7603 -5.7603 -4.3482 -4.3482 1.8121 1.8121 2.0830 2.0830 3.0438 3.0438 4.3736 4.3736 4.9078 4.9078 5.4691 5.4691 6.2225 6.2225 7.1557 7.1557 11.2726 11.2726 11.4690 11.4690 11.5140 11.5140 11.8907 11.8907 k = 0.0000 0.0000 0.0390 ( 4082 PWs) bands (ev): -14.2724 -14.2724 -14.2682 -14.2682 -14.2462 -14.2462 -14.2364 -14.2364 -13.2429 -13.2429 -13.2417 -13.2417 -13.2244 -13.2244 -13.2109 -13.2109 -13.2014 -13.2014 -13.1904 -13.1904 -5.7647 -5.7647 -4.3477 -4.3477 1.8324 1.8324 2.0891 2.0891 3.0451 3.0451 4.3558 4.3558 4.9010 4.9010 5.4629 5.4629 6.2154 6.2154 7.1628 7.1628 11.2957 11.2957 11.4792 11.4792 11.5099 11.5099 11.9020 11.9020 k = 0.0000 0.0000 0.0195 ( 4106 PWs) bands (ev): -14.2724 -14.2724 -14.2682 -14.2682 -14.2462 -14.2462 -14.2364 -14.2364 -13.2428 -13.2428 -13.2417 -13.2417 -13.2244 -13.2244 -13.2109 -13.2109 -13.2014 -13.2014 -13.1904 -13.1904 -5.7673 -5.7673 -4.3474 -4.3474 1.8448 1.8448 2.0927 2.0927 3.0459 3.0459 4.3449 4.3449 4.8969 4.8969 5.4591 5.4591 6.2110 6.2110 7.1670 7.1670 11.3085 11.3085 11.4767 11.4767 11.5160 11.5160 11.9110 11.9110 k = 0.0000 0.0000 0.0000 ( 4109 PWs) bands (ev): -14.2724 -14.2724 -14.2682 -14.2682 -14.2462 -14.2462 -14.2364 -14.2364 -13.2428 -13.2428 -13.2417 -13.2417 -13.2244 -13.2244 -13.2109 -13.2109 -13.2014 -13.2014 -13.1904 -13.1904 -5.7681 -5.7681 -4.3473 -4.3473 1.8489 1.8489 2.0939 2.0939 3.0462 3.0462 4.3412 4.3412 4.8955 4.8955 5.4579 5.4579 6.2096 6.2096 7.1685 7.1685 11.3125 11.3125 11.4748 11.4748 11.5191 11.5191 11.9145 11.9145 k = 0.0000 0.0000 0.0000 ( 4109 PWs) bands (ev): -14.2724 -14.2724 -14.2682 -14.2682 -14.2462 -14.2462 -14.2364 -14.2364 -13.2428 -13.2428 -13.2417 -13.2417 -13.2244 -13.2244 -13.2109 -13.2109 -13.2014 -13.2014 -13.1904 -13.1904 -5.7681 -5.7681 -4.3473 -4.3473 1.8489 1.8489 2.0939 2.0939 3.0462 3.0462 4.3412 4.3412 4.8955 4.8955 5.4579 5.4579 6.2096 6.2096 7.1685 7.1685 11.3125 11.3125 11.4748 11.4748 11.5191 11.5191 11.9145 11.9145 k =-0.0185 0.0068-0.0000 ( 4115 PWs) bands (ev): -14.2724 -14.2724 -14.2682 -14.2682 -14.2462 -14.2462 -14.2364 -14.2364 -13.2428 -13.2428 -13.2417 -13.2417 -13.2244 -13.2244 -13.2109 -13.2109 -13.2014 -13.2014 -13.1904 -13.1904 -5.7674 -5.7674 -4.3484 -4.3484 1.8168 1.8168 2.1256 2.1256 3.0510 3.0510 4.3421 4.3421 4.8923 4.8923 5.4618 5.4618 6.2080 6.2080 7.1685 7.1685 11.3056 11.3056 11.4450 11.4450 11.5505 11.5505 11.9077 11.9077 k =-0.0370 0.0136-0.0000 ( 4103 PWs) bands (ev): -14.2724 -14.2724 -14.2682 -14.2682 -14.2462 -14.2462 -14.2364 -14.2364 -13.2428 -13.2428 -13.2417 -13.2417 -13.2244 -13.2244 -13.2109 -13.2109 -13.2014 -13.2014 -13.1904 -13.1904 -5.7653 -5.7653 -4.3517 -4.3517 1.7471 1.7471 2.1935 2.1935 3.0659 3.0659 4.3447 4.3447 4.8828 4.8828 5.4730 5.4730 6.2034 6.2034 7.1688 7.1688 11.2844 11.2844 11.4054 11.4054 11.5942 11.5942 11.8887 11.8887 k =-0.0556 0.0205-0.0000 ( 4095 PWs) bands (ev): -14.2724 -14.2724 -14.2682 -14.2682 -14.2462 -14.2462 -14.2364 -14.2364 -13.2429 -13.2429 -13.2417 -13.2417 -13.2244 -13.2244 -13.2108 -13.2108 -13.2015 -13.2015 -13.1904 -13.1904 -5.7616 -5.7616 -4.3572 -4.3572 1.6660 1.6660 2.2702 2.2702 3.0919 3.0919 4.3490 4.3490 4.8680 4.8680 5.4908 5.4908 6.1957 6.1957 7.1692 7.1692 11.2504 11.2504 11.3699 11.3699 11.6324 11.6324 11.8605 11.8605 k =-0.0741 0.0273-0.0000 ( 4089 PWs) bands (ev): -14.2724 -14.2724 -14.2682 -14.2682 -14.2462 -14.2462 -14.2364 -14.2364 -13.2429 -13.2429 -13.2417 -13.2417 -13.2243 -13.2243 -13.2106 -13.2106 -13.2016 -13.2016 -13.1904 -13.1904 -5.7566 -5.7566 -4.3647 -4.3647 1.5824 1.5824 2.3453 2.3453 3.1307 3.1307 4.3550 4.3550 4.8491 4.8491 5.5139 5.5139 6.1851 6.1851 7.1698 7.1698 11.2076 11.2076 11.3357 11.3357 11.6596 11.6596 11.8262 11.8262 k =-0.0926 0.0341-0.0000 ( 4103 PWs) bands (ev): -14.2723 -14.2723 -14.2682 -14.2682 -14.2463 -14.2463 -14.2363 -14.2363 -13.2429 -13.2429 -13.2417 -13.2417 -13.2243 -13.2243 -13.2105 -13.2105 -13.2018 -13.2018 -13.1905 -13.1905 -5.7502 -5.7502 -4.3743 -4.3743 1.4993 1.4993 2.4137 2.4137 3.1842 3.1842 4.3624 4.3624 4.8272 4.8272 5.5410 5.5410 6.1718 6.1718 7.1705 7.1705 11.1605 11.1605 11.2980 11.2980 11.6711 11.6711 11.7885 11.7885 k =-0.1111 0.0409-0.0000 ( 4105 PWs) bands (ev): -14.2723 -14.2723 -14.2683 -14.2683 -14.2463 -14.2463 -14.2362 -14.2362 -13.2429 -13.2429 -13.2417 -13.2417 -13.2242 -13.2242 -13.2103 -13.2103 -13.2019 -13.2019 -13.1905 -13.1905 -5.7424 -5.7424 -4.3859 -4.3859 1.4183 1.4183 2.4727 2.4727 3.2535 3.2535 4.3713 4.3713 4.8035 4.8035 5.5708 5.5708 6.1560 6.1560 7.1713 7.1713 11.1101 11.1101 11.2539 11.2539 11.6601 11.6601 11.7534 11.7534 k =-0.1296 0.0477-0.0000 ( 4109 PWs) bands (ev): -14.2722 -14.2722 -14.2683 -14.2683 -14.2463 -14.2463 -14.2362 -14.2362 -13.2429 -13.2429 -13.2417 -13.2417 -13.2241 -13.2241 -13.2100 -13.2100 -13.2021 -13.2021 -13.1906 -13.1906 -5.7333 -5.7333 -4.3994 -4.3994 1.3401 1.3401 2.5211 2.5211 3.3389 3.3389 4.3813 4.3813 4.7792 4.7792 5.6023 5.6023 6.1381 6.1381 7.1722 7.1722 11.0540 11.0540 11.2033 11.2033 11.6197 11.6197 11.7303 11.7303 k =-0.1481 0.0546-0.0000 ( 4097 PWs) bands (ev): -14.2722 -14.2722 -14.2684 -14.2684 -14.2463 -14.2463 -14.2361 -14.2361 -13.2429 -13.2429 -13.2417 -13.2417 -13.2241 -13.2241 -13.2098 -13.2098 -13.2023 -13.2023 -13.1906 -13.1906 -5.7229 -5.7229 -4.4147 -4.4147 1.2650 1.2650 2.5597 2.5597 3.4391 3.4391 4.3922 4.3922 4.7550 4.7550 5.6342 5.6342 6.1186 6.1186 7.1731 7.1731 10.9844 10.9844 11.1507 11.1507 11.5580 11.5580 11.7179 11.7179 k =-0.1667 0.0614-0.0000 ( 4101 PWs) bands (ev): -14.2721 -14.2721 -14.2684 -14.2684 -14.2464 -14.2464 -14.2360 -14.2360 -13.2429 -13.2429 -13.2417 -13.2417 -13.2240 -13.2240 -13.2095 -13.2095 -13.2025 -13.2025 -13.1907 -13.1907 -5.7113 -5.7113 -4.4317 -4.4317 1.1935 1.1935 2.5897 2.5897 3.5524 3.5524 4.4035 4.4035 4.7320 4.7320 5.6655 5.6655 6.0982 6.0982 7.1740 7.1740 10.8907 10.8907 11.1043 11.1043 11.4890 11.4890 11.7111 11.7111 k =-0.1852 0.0682-0.0000 ( 4097 PWs) bands (ev): -14.2721 -14.2721 -14.2685 -14.2685 -14.2464 -14.2464 -14.2359 -14.2359 -13.2429 -13.2429 -13.2417 -13.2417 -13.2239 -13.2239 -13.2092 -13.2092 -13.2028 -13.2028 -13.1908 -13.1908 -5.6986 -5.6986 -4.4501 -4.4501 1.1257 1.1257 2.6129 2.6129 3.6765 3.6765 4.4147 4.4147 4.7113 4.7113 5.6947 5.6947 6.0777 6.0777 7.1749 7.1749 10.7680 10.7680 11.0688 11.0688 11.4213 11.4213 11.7083 11.7083 k =-0.2037 0.0750-0.0000 ( 4100 PWs) bands (ev): -14.2720 -14.2720 -14.2686 -14.2686 -14.2464 -14.2464 -14.2358 -14.2358 -13.2430 -13.2430 -13.2417 -13.2417 -13.2237 -13.2237 -13.2089 -13.2089 -13.2030 -13.2030 -13.1909 -13.1909 -5.6848 -5.6848 -4.4700 -4.4700 1.0617 1.0617 2.6308 2.6308 3.8097 3.8097 4.4249 4.4249 4.6938 4.6938 5.7201 5.7201 6.0588 6.0588 7.1758 7.1758 10.6196 10.6196 11.0438 11.0438 11.3587 11.3587 11.7094 11.7094 k =-0.2222 0.0818-0.0000 ( 4108 PWs) bands (ev): -14.2719 -14.2719 -14.2686 -14.2686 -14.2465 -14.2465 -14.2358 -14.2358 -13.2430 -13.2430 -13.2417 -13.2417 -13.2236 -13.2236 -13.2086 -13.2086 -13.2032 -13.2032 -13.1910 -13.1910 -5.6700 -5.6700 -4.4910 -4.4910 1.0017 1.0017 2.6447 2.6447 3.9500 3.9500 4.4333 4.4333 4.6808 4.6808 5.7398 5.7398 6.0433 6.0433 7.1766 7.1766 10.4513 10.4513 11.0276 11.0276 11.3020 11.3020 11.7142 11.7142 k =-0.2407 0.0886-0.0000 ( 4116 PWs) bands (ev): -14.2718 -14.2718 -14.2687 -14.2687 -14.2465 -14.2465 -14.2357 -14.2357 -13.2430 -13.2430 -13.2417 -13.2417 -13.2235 -13.2235 -13.2083 -13.2083 -13.2034 -13.2034 -13.1911 -13.1911 -5.6543 -5.6543 -4.5130 -4.5130 0.9455 0.9455 2.6556 2.6556 4.0961 4.0961 4.4387 4.4387 4.6736 4.6736 5.7511 5.7511 6.0336 6.0336 7.1773 7.1773 10.2688 10.2688 11.0192 11.0192 11.2510 11.2510 11.7227 11.7227 k =-0.2593 0.0955-0.0000 ( 4112 PWs) bands (ev): -14.2718 -14.2718 -14.2688 -14.2688 -14.2465 -14.2465 -14.2356 -14.2356 -13.2430 -13.2430 -13.2417 -13.2417 -13.2233 -13.2233 -13.2081 -13.2081 -13.2036 -13.2036 -13.1913 -13.1913 -5.6380 -5.6380 -4.5358 -4.5358 0.8934 0.8934 2.6642 2.6642 4.2459 4.2459 4.4415 4.4415 4.6729 4.6729 5.7522 5.7522 6.0315 6.0315 7.1779 7.1779 10.0765 10.0765 11.0179 11.0179 11.2051 11.2051 11.7347 11.7347 k =-0.2778 0.1023-0.0000 ( 4104 PWs) bands (ev): -14.2717 -14.2717 -14.2689 -14.2689 -14.2466 -14.2466 -14.2355 -14.2355 -13.2430 -13.2430 -13.2417 -13.2417 -13.2232 -13.2232 -13.2079 -13.2079 -13.2037 -13.2037 -13.1914 -13.1914 -5.6211 -5.6211 -4.5591 -4.5591 0.8452 0.8452 2.6711 2.6711 4.3872 4.3872 4.4524 4.4524 4.6790 4.6790 5.7427 5.7427 6.0374 6.0374 7.1784 7.1784 9.8781 9.8781 11.0232 11.0232 11.1639 11.1639 11.7502 11.7502 k =-0.2963 0.1091-0.0000 ( 4096 PWs) bands (ev): -14.2716 -14.2716 -14.2690 -14.2690 -14.2466 -14.2466 -14.2354 -14.2354 -13.2430 -13.2430 -13.2417 -13.2417 -13.2230 -13.2230 -13.2077 -13.2077 -13.2038 -13.2038 -13.1916 -13.1916 -5.6037 -5.6037 -4.5827 -4.5827 0.8010 0.8010 2.6766 2.6766 4.4208 4.4208 4.5707 4.5707 4.6911 4.6911 5.7244 5.7244 6.0498 6.0498 7.1787 7.1787 9.6765 9.6765 11.0341 11.0341 11.1279 11.1279 11.7689 11.7689 k =-0.3148 0.1159-0.0000 ( 4088 PWs) bands (ev): -14.2715 -14.2715 -14.2691 -14.2691 -14.2466 -14.2466 -14.2353 -14.2353 -13.2430 -13.2430 -13.2417 -13.2417 -13.2229 -13.2229 -13.2077 -13.2077 -13.2038 -13.2038 -13.1917 -13.1917 -5.5862 -5.5862 -4.6063 -4.6063 0.7608 0.7608 2.6811 2.6811 4.4149 4.4149 4.7077 4.7077 4.7282 4.7282 5.6997 5.6997 6.0663 6.0663 7.1790 7.1790 9.4738 9.4738 11.0469 11.0469 11.1004 11.1004 11.7906 11.7906 k =-0.3333 0.1227-0.0000 ( 4096 PWs) bands (ev): -14.2714 -14.2714 -14.2692 -14.2692 -14.2467 -14.2467 -14.2352 -14.2352 -13.2430 -13.2430 -13.2417 -13.2417 -13.2227 -13.2227 -13.2076 -13.2076 -13.2037 -13.2037 -13.1919 -13.1919 -5.5688 -5.5688 -4.6295 -4.6295 0.7245 0.7245 2.6847 2.6847 4.4055 4.4055 4.7283 4.7283 4.8881 4.8881 5.6708 5.6708 6.0848 6.0848 7.1791 7.1791 9.2724 9.2724 11.0439 11.0439 11.0988 11.0988 11.8150 11.8150 k =-0.3519 0.1296-0.0000 ( 4098 PWs) bands (ev): -14.2713 -14.2713 -14.2693 -14.2693 -14.2467 -14.2467 -14.2351 -14.2351 -13.2430 -13.2430 -13.2418 -13.2418 -13.2226 -13.2226 -13.2077 -13.2077 -13.2036 -13.2036 -13.1920 -13.1920 -5.5517 -5.5517 -4.6520 -4.6520 0.6921 0.6921 2.6876 2.6876 4.3953 4.3953 4.7511 4.7511 5.0481 5.0481 5.6399 5.6399 6.1036 6.1036 7.1791 7.1791 9.0743 9.0743 11.0232 11.0232 11.1246 11.1246 11.8418 11.8418 k =-0.3704 0.1364-0.0000 ( 4108 PWs) bands (ev): -14.2712 -14.2712 -14.2694 -14.2694 -14.2467 -14.2467 -14.2351 -14.2351 -13.2430 -13.2430 -13.2418 -13.2418 -13.2225 -13.2225 -13.2078 -13.2078 -13.2034 -13.2034 -13.1922 -13.1922 -5.5352 -5.5352 -4.6734 -4.6734 0.6636 0.6636 2.6900 2.6900 4.3851 4.3851 4.7751 4.7751 5.2056 5.2056 5.6085 5.6085 6.1218 6.1218 7.1791 7.1791 8.8818 8.8818 11.0010 11.0010 11.1616 11.1616 11.8704 11.8704 k =-0.3889 0.1432-0.0000 ( 4110 PWs) bands (ev): -14.2711 -14.2711 -14.2695 -14.2695 -14.2467 -14.2467 -14.2350 -14.2350 -13.2430 -13.2430 -13.2418 -13.2418 -13.2223 -13.2223 -13.2079 -13.2079 -13.2033 -13.2033 -13.1923 -13.1923 -5.5198 -5.5198 -4.6932 -4.6932 0.6390 0.6390 2.6919 2.6919 4.3755 4.3755 4.7995 4.7995 5.3573 5.3573 5.5790 5.5790 6.1386 6.1386 7.1790 7.1790 8.6977 8.6977 10.9810 10.9810 11.2058 11.2058 11.8999 11.8999 k =-0.4074 0.1500-0.0000 ( 4106 PWs) bands (ev): -14.2710 -14.2710 -14.2696 -14.2696 -14.2467 -14.2467 -14.2350 -14.2350 -13.2430 -13.2430 -13.2418 -13.2418 -13.2222 -13.2222 -13.2080 -13.2080 -13.2031 -13.2031 -13.1925 -13.1925 -5.5057 -5.5057 -4.7112 -4.7112 0.6182 0.6182 2.6934 2.6934 4.3670 4.3670 4.8232 4.8232 5.4888 5.4888 5.5637 5.5637 6.1535 6.1535 7.1788 7.1788 8.5253 8.5253 10.9638 10.9638 11.2565 11.2565 11.9291 11.9291 k =-0.4259 0.1568-0.0000 ( 4120 PWs) bands (ev): -14.2709 -14.2709 -14.2696 -14.2696 -14.2468 -14.2468 -14.2349 -14.2349 -13.2430 -13.2430 -13.2418 -13.2418 -13.2221 -13.2221 -13.2081 -13.2081 -13.2029 -13.2029 -13.1926 -13.1926 -5.4934 -5.4934 -4.7267 -4.7267 0.6013 0.6013 2.6946 2.6946 4.3598 4.3598 4.8452 4.8452 5.5081 5.5081 5.6515 5.6515 6.1660 6.1660 7.1786 7.1786 8.3692 8.3692 10.9497 10.9497 11.3132 11.3132 11.9446 11.9446 k =-0.4444 0.1637-0.0000 ( 4124 PWs) bands (ev): -14.2708 -14.2708 -14.2697 -14.2697 -14.2468 -14.2468 -14.2349 -14.2349 -13.2430 -13.2430 -13.2418 -13.2418 -13.2220 -13.2220 -13.2082 -13.2082 -13.2027 -13.2027 -13.1927 -13.1927 -5.4834 -5.4834 -4.7393 -4.7393 0.5881 0.5881 2.6955 2.6955 4.3540 4.3540 4.8642 4.8642 5.4887 5.4887 5.7647 5.7647 6.1760 6.1760 7.1784 7.1784 8.2351 8.2351 10.9386 10.9386 11.3755 11.3755 11.8588 11.8588 k =-0.4630 0.1705-0.0000 ( 4142 PWs) bands (ev): -14.2707 -14.2707 -14.2698 -14.2698 -14.2468 -14.2468 -14.2348 -14.2348 -13.2430 -13.2430 -13.2418 -13.2418 -13.2220 -13.2220 -13.2083 -13.2083 -13.2026 -13.2026 -13.1928 -13.1928 -5.4758 -5.4758 -4.7487 -4.7487 0.5787 0.5787 2.6961 2.6961 4.3498 4.3498 4.8790 4.8790 5.4719 5.4719 5.8561 5.8561 6.1832 6.1832 7.1783 7.1783 8.1304 8.1304 10.9307 10.9307 11.4430 11.4430 11.7683 11.7683 k =-0.4815 0.1773-0.0000 ( 4138 PWs) bands (ev): -14.2707 -14.2707 -14.2699 -14.2699 -14.2468 -14.2468 -14.2348 -14.2348 -13.2430 -13.2430 -13.2418 -13.2418 -13.2219 -13.2219 -13.2083 -13.2083 -13.2026 -13.2026 -13.1928 -13.1928 -5.4712 -5.4712 -4.7544 -4.7544 0.5731 0.5731 2.6964 2.6964 4.3473 4.3473 4.8885 4.8885 5.4609 5.4609 5.9157 5.9157 6.1876 6.1876 7.1782 7.1782 8.0631 8.0631 10.9260 10.9260 11.5147 11.5147 11.6826 11.6826 k =-0.5000 0.1841-0.0000 ( 4132 PWs) bands (ev): -14.2707 -14.2707 -14.2699 -14.2699 -14.2468 -14.2468 -14.2348 -14.2348 -13.2430 -13.2430 -13.2418 -13.2418 -13.2219 -13.2219 -13.2083 -13.2083 -13.2025 -13.2025 -13.1928 -13.1928 -5.4696 -5.4696 -4.7564 -4.7564 0.5712 0.5712 2.6966 2.6966 4.3464 4.3464 4.8918 4.8918 5.4571 5.4571 5.9365 5.9365 6.1890 6.1890 7.1781 7.1781 8.0398 8.0398 10.9244 10.9244 11.5729 11.5729 11.6196 11.6196 k =-0.5000 0.1841-0.0000 ( 4132 PWs) bands (ev): -14.2707 -14.2707 -14.2699 -14.2699 -14.2468 -14.2468 -14.2348 -14.2348 -13.2430 -13.2430 -13.2418 -13.2418 -13.2219 -13.2219 -13.2083 -13.2083 -13.2025 -13.2025 -13.1928 -13.1928 -5.4696 -5.4696 -4.7564 -4.7564 0.5712 0.5712 2.6966 2.6966 4.3464 4.3464 4.8918 4.8918 5.4571 5.4571 5.9365 5.9365 6.1890 6.1890 7.1781 7.1781 8.0398 8.0398 10.9244 10.9244 11.5729 11.5729 11.6196 11.6196 k =-0.4932 0.2024-0.0000 ( 4132 PWs) bands (ev): -14.2707 -14.2707 -14.2699 -14.2699 -14.2468 -14.2468 -14.2348 -14.2348 -13.2430 -13.2430 -13.2418 -13.2418 -13.2219 -13.2219 -13.2083 -13.2083 -13.2025 -13.2025 -13.1928 -13.1928 -5.4688 -5.4688 -4.7561 -4.7561 0.5685 0.5685 2.6938 2.6938 4.3483 4.3483 4.8931 4.8931 5.4583 5.4583 5.9333 5.9333 6.1947 6.1947 7.1768 7.1768 8.0405 8.0405 10.9177 10.9177 11.5755 11.5755 11.6231 11.6231 k =-0.4865 0.2208-0.0000 ( 4127 PWs) bands (ev): -14.2707 -14.2707 -14.2699 -14.2699 -14.2468 -14.2468 -14.2348 -14.2348 -13.2430 -13.2430 -13.2418 -13.2418 -13.2219 -13.2219 -13.2083 -13.2083 -13.2025 -13.2025 -13.1928 -13.1928 -5.4665 -5.4665 -4.7552 -4.7552 0.5605 0.5605 2.6856 2.6856 4.3540 4.3540 4.8969 4.8969 5.4617 5.4617 5.9246 5.9246 6.2107 6.2107 7.1729 7.1729 8.0428 8.0428 10.8977 10.8977 11.5830 11.5830 11.6335 11.6335 k =-0.4797 0.2391-0.0000 ( 4131 PWs) bands (ev): -14.2707 -14.2707 -14.2699 -14.2699 -14.2468 -14.2468 -14.2348 -14.2348 -13.2430 -13.2430 -13.2417 -13.2417 -13.2219 -13.2219 -13.2083 -13.2083 -13.2026 -13.2026 -13.1928 -13.1928 -5.4627 -5.4627 -4.7537 -4.7537 0.5474 0.5474 2.6720 2.6720 4.3633 4.3633 4.9034 4.9034 5.4675 5.4675 5.9124 5.9124 6.2350 6.2350 7.1662 7.1662 8.0469 8.0469 10.8649 10.8649 11.5955 11.5955 11.6504 11.6504 k =-0.4730 0.2575-0.0000 ( 4137 PWs) bands (ev): -14.2707 -14.2707 -14.2698 -14.2698 -14.2467 -14.2467 -14.2348 -14.2348 -13.2430 -13.2430 -13.2417 -13.2417 -13.2219 -13.2219 -13.2083 -13.2083 -13.2026 -13.2026 -13.1928 -13.1928 -5.4573 -5.4573 -4.7516 -4.7516 0.5292 0.5292 2.6532 2.6532 4.3761 4.3761 4.9123 4.9123 5.4755 5.4755 5.8986 5.8986 6.2656 6.2656 7.1566 7.1566 8.0528 8.0528 10.8200 10.8200 11.6125 11.6125 11.6725 11.6725 k =-0.4662 0.2758-0.0000 ( 4133 PWs) bands (ev): -14.2706 -14.2706 -14.2698 -14.2698 -14.2467 -14.2467 -14.2348 -14.2348 -13.2430 -13.2430 -13.2416 -13.2416 -13.2219 -13.2219 -13.2082 -13.2082 -13.2026 -13.2026 -13.1928 -13.1928 -5.4504 -5.4504 -4.7490 -4.7490 0.5062 0.5062 2.6293 2.6293 4.3924 4.3924 4.9238 4.9238 5.4858 5.4858 5.8849 5.8849 6.3010 6.3010 7.1437 7.1437 8.0611 8.0611 10.7639 10.7639 11.6333 11.6333 11.6923 11.6923 k =-0.4595 0.2942-0.0000 ( 4135 PWs) bands (ev): -14.2706 -14.2706 -14.2698 -14.2698 -14.2467 -14.2467 -14.2348 -14.2348 -13.2430 -13.2430 -13.2416 -13.2416 -13.2219 -13.2219 -13.2082 -13.2082 -13.2027 -13.2027 -13.1927 -13.1927 -5.4419 -5.4419 -4.7459 -4.7459 0.4789 0.4789 2.6005 2.6005 4.4119 4.4119 4.9378 4.9378 5.4982 5.4982 5.8722 5.8722 6.3399 6.3399 7.1273 7.1273 8.0719 8.0719 10.6977 10.6977 11.6414 11.6414 11.6654 11.6654 k =-0.4527 0.3125-0.0000 ( 4131 PWs) bands (ev): -14.2706 -14.2706 -14.2698 -14.2698 -14.2466 -14.2466 -14.2348 -14.2348 -13.2430 -13.2430 -13.2415 -13.2415 -13.2218 -13.2218 -13.2082 -13.2082 -13.2027 -13.2027 -13.1927 -13.1927 -5.4320 -5.4320 -4.7423 -4.7423 0.4475 0.4475 2.5670 2.5670 4.4343 4.4343 4.9542 4.9542 5.5127 5.5127 5.8613 5.8613 6.3815 6.3815 7.1073 7.1073 8.0857 8.0857 10.6225 10.6225 11.5435 11.5435 11.6866 11.6866 k =-0.4460 0.3308-0.0000 ( 4131 PWs) bands (ev): -14.2706 -14.2706 -14.2698 -14.2698 -14.2466 -14.2466 -14.2347 -14.2347 -13.2430 -13.2430 -13.2414 -13.2414 -13.2218 -13.2218 -13.2081 -13.2081 -13.2027 -13.2027 -13.1926 -13.1926 -5.4206 -5.4206 -4.7383 -4.7383 0.4125 0.4125 2.5293 2.5293 4.4594 4.4594 4.9731 4.9731 5.5293 5.5293 5.8525 5.8525 6.4253 6.4253 7.0836 7.0836 8.1027 8.1027 10.5394 10.5394 11.4260 11.4260 11.7122 11.7122 k =-0.4392 0.3492-0.0000 ( 4127 PWs) bands (ev): -14.2706 -14.2706 -14.2697 -14.2697 -14.2466 -14.2466 -14.2347 -14.2347 -13.2430 -13.2430 -13.2413 -13.2413 -13.2218 -13.2218 -13.2080 -13.2080 -13.2028 -13.2028 -13.1926 -13.1926 -5.4078 -5.4078 -4.7341 -4.7341 0.3744 0.3744 2.4875 2.4875 4.4869 4.4869 4.9944 4.9944 5.5478 5.5478 5.8462 5.8462 6.4708 6.4708 7.0562 7.0562 8.1232 8.1232 10.4496 10.4496 11.3001 11.3001 11.7339 11.7339 k =-0.4325 0.3675-0.0000 ( 4123 PWs) bands (ev): -14.2706 -14.2706 -14.2697 -14.2697 -14.2465 -14.2465 -14.2347 -14.2347 -13.2430 -13.2430 -13.2412 -13.2412 -13.2218 -13.2218 -13.2080 -13.2080 -13.2028 -13.2028 -13.1925 -13.1925 -5.3936 -5.3936 -4.7295 -4.7295 0.3336 0.3336 2.4421 2.4421 4.5166 4.5166 5.0180 5.0180 5.5680 5.5680 5.8425 5.8425 6.5174 6.5174 7.0254 7.0254 8.1472 8.1472 10.3543 10.3543 11.1687 11.1687 11.7465 11.7465 k =-0.4257 0.3859-0.0000 ( 4127 PWs) bands (ev): -14.2706 -14.2706 -14.2697 -14.2697 -14.2464 -14.2464 -14.2347 -14.2347 -13.2430 -13.2430 -13.2411 -13.2411 -13.2218 -13.2218 -13.2079 -13.2079 -13.2029 -13.2029 -13.1925 -13.1925 -5.3780 -5.3780 -4.7248 -4.7248 0.2905 0.2905 2.3933 2.3933 4.5480 4.5480 5.0438 5.0438 5.5900 5.5900 5.8416 5.8416 6.5646 6.5646 6.9918 6.9918 8.1749 8.1749 10.2545 10.2545 11.0332 11.0332 11.7444 11.7444 k =-0.4190 0.4042-0.0000 ( 4127 PWs) bands (ev): -14.2706 -14.2706 -14.2696 -14.2696 -14.2464 -14.2464 -14.2346 -14.2346 -13.2430 -13.2430 -13.2410 -13.2410 -13.2217 -13.2217 -13.2078 -13.2078 -13.2029 -13.2029 -13.1924 -13.1924 -5.3610 -5.3610 -4.7201 -4.7201 0.2458 0.2458 2.3415 2.3415 4.5809 4.5809 5.0719 5.0719 5.6135 5.6135 5.8435 5.8435 6.6114 6.6114 6.9566 6.9566 8.2061 8.2061 10.1513 10.1513 10.8950 10.8950 11.7235 11.7235 k =-0.4122 0.4225-0.0000 ( 4127 PWs) bands (ev): -14.2706 -14.2706 -14.2696 -14.2696 -14.2463 -14.2463 -14.2346 -14.2346 -13.2431 -13.2431 -13.2409 -13.2409 -13.2217 -13.2217 -13.2077 -13.2077 -13.2030 -13.2030 -13.1923 -13.1923 -5.3427 -5.3427 -4.7153 -4.7153 0.1999 0.1999 2.2871 2.2871 4.6148 4.6148 5.1021 5.1021 5.6382 5.6382 5.8484 5.8484 6.6556 6.6556 6.9222 6.9222 8.2408 8.2408 10.0456 10.0456 10.7551 10.7551 11.6828 11.6828 k =-0.4055 0.4409-0.0000 ( 4131 PWs) bands (ev): -14.2706 -14.2706 -14.2695 -14.2695 -14.2463 -14.2463 -14.2346 -14.2346 -13.2431 -13.2431 -13.2408 -13.2408 -13.2217 -13.2217 -13.2076 -13.2076 -13.2030 -13.2030 -13.1923 -13.1923 -5.3232 -5.3232 -4.7107 -4.7107 0.1532 0.1532 2.2305 2.2305 4.6495 4.6495 5.1343 5.1343 5.6641 5.6641 5.8561 5.8561 6.6923 6.6923 6.8940 6.8940 8.2788 8.2788 9.9383 9.9383 10.6144 10.6144 11.6245 11.6245 k =-0.3987 0.4592-0.0000 ( 4131 PWs) bands (ev): -14.2706 -14.2706 -14.2695 -14.2695 -14.2462 -14.2462 -14.2345 -14.2345 -13.2431 -13.2431 -13.2407 -13.2407 -13.2217 -13.2217 -13.2075 -13.2075 -13.2031 -13.2031 -13.1922 -13.1922 -5.3024 -5.3024 -4.7064 -4.7064 0.1064 0.1064 2.1720 2.1720 4.6843 4.6843 5.1684 5.1684 5.6908 5.6908 5.8667 5.8667 6.7103 6.7103 6.8839 6.8839 8.3199 8.3199 9.8303 9.8303 10.4736 10.4736 11.5520 11.5520 k =-0.3919 0.4776-0.0000 ( 4135 PWs) bands (ev): -14.2706 -14.2706 -14.2694 -14.2694 -14.2461 -14.2461 -14.2345 -14.2345 -13.2431 -13.2431 -13.2405 -13.2405 -13.2217 -13.2217 -13.2074 -13.2074 -13.2031 -13.2031 -13.1921 -13.1921 -5.2805 -5.2805 -4.7024 -4.7024 0.0598 0.0598 2.1121 2.1121 4.7187 4.7187 5.2044 5.2044 5.7182 5.7182 5.8803 5.8803 6.7000 6.7000 6.9022 6.9022 8.3637 8.3637 9.7226 9.7226 10.3334 10.3334 11.4686 11.4686 k =-0.3852 0.4959-0.0000 ( 4129 PWs) bands (ev): -14.2705 -14.2705 -14.2694 -14.2694 -14.2461 -14.2461 -14.2345 -14.2345 -13.2431 -13.2431 -13.2404 -13.2404 -13.2217 -13.2217 -13.2073 -13.2073 -13.2032 -13.2032 -13.1921 -13.1921 -5.2575 -5.2575 -4.6990 -4.6990 0.0139 0.0139 2.0510 2.0510 4.7522 4.7522 5.2422 5.2422 5.7460 5.7460 5.8966 5.8966 6.6697 6.6697 6.9411 6.9411 8.4098 8.4098 9.6160 9.6160 10.1944 10.1944 11.3771 11.3771 k =-0.3784 0.5142-0.0000 ( 4125 PWs) bands (ev): -14.2705 -14.2705 -14.2693 -14.2693 -14.2460 -14.2460 -14.2345 -14.2345 -13.2432 -13.2432 -13.2403 -13.2403 -13.2217 -13.2217 -13.2072 -13.2072 -13.2032 -13.2032 -13.1920 -13.1920 -5.2334 -5.2334 -4.6962 -4.6962 -0.0308 -0.0308 1.9891 1.9891 4.7841 4.7841 5.2815 5.2815 5.7739 5.7739 5.9156 5.9156 6.6316 6.6316 6.9895 6.9895 8.4578 8.4578 9.5116 9.5116 10.0573 10.0573 11.2794 11.2794 k =-0.3717 0.5326-0.0000 ( 4123 PWs) bands (ev): -14.2705 -14.2705 -14.2693 -14.2693 -14.2459 -14.2459 -14.2344 -14.2344 -13.2432 -13.2432 -13.2402 -13.2402 -13.2217 -13.2217 -13.2071 -13.2071 -13.2032 -13.2032 -13.1919 -13.1919 -5.2084 -5.2084 -4.6942 -4.6942 -0.0739 -0.0739 1.9268 1.9268 4.8134 4.8134 5.3224 5.3224 5.8020 5.8020 5.9370 5.9370 6.5916 6.5916 7.0422 7.0422 8.5069 8.5069 9.4104 9.4104 9.9226 9.9226 11.1771 11.1771 k =-0.3649 0.5509-0.0000 ( 4123 PWs) bands (ev): -14.2705 -14.2705 -14.2692 -14.2692 -14.2458 -14.2458 -14.2344 -14.2344 -13.2432 -13.2432 -13.2401 -13.2401 -13.2217 -13.2217 -13.2070 -13.2070 -13.2032 -13.2032 -13.1918 -13.1918 -5.1824 -5.1824 -4.6931 -4.6931 -0.1150 -0.1150 1.8644 1.8644 4.8394 4.8394 5.3647 5.3647 5.8301 5.8301 5.9603 5.9603 6.5530 6.5530 7.0971 7.0971 8.5560 8.5560 9.3143 9.3143 9.7910 9.7910 11.0713 11.0713 k =-0.3582 0.5693-0.0000 ( 4131 PWs) bands (ev): -14.2705 -14.2705 -14.2692 -14.2692 -14.2458 -14.2458 -14.2344 -14.2344 -13.2432 -13.2432 -13.2399 -13.2399 -13.2217 -13.2217 -13.2068 -13.2068 -13.2032 -13.2032 -13.1918 -13.1918 -5.1556 -5.1556 -4.6930 -4.6930 -0.1537 -0.1537 1.8022 1.8022 4.8610 4.8610 5.4084 5.4084 5.8583 5.8583 5.9852 5.9852 6.5178 6.5178 7.1528 7.1528 8.6031 8.6031 9.2254 9.2254 9.6631 9.6631 10.9631 10.9631 k =-0.3514 0.5876-0.0000 ( 4129 PWs) bands (ev): -14.2705 -14.2705 -14.2691 -14.2691 -14.2457 -14.2457 -14.2343 -14.2343 -13.2433 -13.2433 -13.2398 -13.2398 -13.2217 -13.2217 -13.2067 -13.2067 -13.2033 -13.2033 -13.1917 -13.1917 -5.1280 -5.1280 -4.6942 -4.6942 -0.1895 -0.1895 1.7405 1.7405 4.8770 4.8770 5.4533 5.4533 5.8866 5.8866 6.0111 6.0111 6.4875 6.4875 7.2087 7.2087 8.6446 8.6446 9.1477 9.1477 9.5397 9.5397 10.8532 10.8532 k =-0.3447 0.6059-0.0000 ( 4135 PWs) bands (ev): -14.2705 -14.2705 -14.2691 -14.2691 -14.2456 -14.2456 -14.2343 -14.2343 -13.2433 -13.2433 -13.2397 -13.2397 -13.2217 -13.2217 -13.2066 -13.2066 -13.2033 -13.2033 -13.1916 -13.1916 -5.0997 -5.0997 -4.6966 -4.6966 -0.2223 -0.2223 1.6796 1.6796 4.8865 4.8865 5.4995 5.4995 5.9150 5.9150 6.0372 6.0372 6.4637 6.4637 7.2640 7.2640 8.6741 8.6741 9.0881 9.0881 9.4218 9.4218 10.7422 10.7422 k =-0.3379 0.6243-0.0000 ( 4127 PWs) bands (ev): -14.2706 -14.2706 -14.2690 -14.2690 -14.2455 -14.2455 -14.2343 -14.2343 -13.2433 -13.2433 -13.2396 -13.2396 -13.2217 -13.2217 -13.2065 -13.2065 -13.2032 -13.2032 -13.1916 -13.1916 -5.0708 -5.0708 -4.7006 -4.7006 -0.2516 -0.2516 1.6198 1.6198 4.8886 4.8886 5.5469 5.5469 5.9437 5.9437 6.0629 6.0629 6.4474 6.4474 7.3178 7.3178 8.6824 8.6824 9.0557 9.0557 9.3109 9.3109 10.6309 10.6309 k =-0.3312 0.6426-0.0000 ( 4131 PWs) bands (ev): -14.2706 -14.2706 -14.2690 -14.2690 -14.2455 -14.2455 -14.2343 -14.2343 -13.2434 -13.2434 -13.2395 -13.2395 -13.2217 -13.2217 -13.2064 -13.2064 -13.2032 -13.2032 -13.1915 -13.1915 -5.0414 -5.0414 -4.7060 -4.7060 -0.2771 -0.2771 1.5613 1.5613 4.8825 4.8825 5.5954 5.5954 5.9722 5.9722 6.0876 6.0876 6.4396 6.4396 7.3690 7.3690 8.6643 8.6643 9.0547 9.0547 9.2096 9.2096 10.5199 10.5199 k =-0.3244 0.6610-0.0000 ( 4133 PWs) bands (ev): -14.2706 -14.2706 -14.2689 -14.2689 -14.2454 -14.2454 -14.2343 -14.2343 -13.2434 -13.2434 -13.2395 -13.2395 -13.2218 -13.2218 -13.2063 -13.2063 -13.2032 -13.2032 -13.1915 -13.1915 -5.0116 -5.0116 -4.7131 -4.7131 -0.2986 -0.2986 1.5044 1.5044 4.8680 4.8680 5.6450 5.6450 6.0001 6.0001 6.1105 6.1105 6.4411 6.4411 7.4163 7.4163 8.6266 8.6266 9.0646 9.0646 9.1334 9.1334 10.4100 10.4100 k =-0.3177 0.6793-0.0000 ( 4131 PWs) bands (ev): -14.2706 -14.2706 -14.2689 -14.2689 -14.2454 -14.2454 -14.2342 -14.2342 -13.2434 -13.2434 -13.2394 -13.2394 -13.2218 -13.2218 -13.2062 -13.2062 -13.2032 -13.2032 -13.1914 -13.1914 -4.9815 -4.9815 -4.7220 -4.7220 -0.3158 -0.3158 1.4494 1.4494 4.8450 4.8450 5.6954 5.6954 6.0266 6.0266 6.1314 6.1314 6.4524 6.4524 7.4580 7.4580 8.5807 8.5807 9.0127 9.0127 9.1455 9.1455 10.3022 10.3022 k =-0.3109 0.6976-0.0000 ( 4133 PWs) bands (ev): -14.2706 -14.2706 -14.2688 -14.2688 -14.2453 -14.2453 -14.2342 -14.2342 -13.2434 -13.2434 -13.2393 -13.2393 -13.2218 -13.2218 -13.2061 -13.2061 -13.2032 -13.2032 -13.1914 -13.1914 -4.9511 -4.9511 -4.7326 -4.7326 -0.3286 -0.3286 1.3965 1.3965 4.8141 4.8141 5.7465 5.7465 6.0500 6.0500 6.1506 6.1506 6.4736 6.4736 7.4917 7.4917 8.5353 8.5353 8.9449 8.9449 9.1933 9.1933 10.1979 10.1979 k =-0.3042 0.7160-0.0000 ( 4137 PWs) bands (ev): -14.2706 -14.2706 -14.2688 -14.2688 -14.2452 -14.2452 -14.2342 -14.2342 -13.2435 -13.2435 -13.2392 -13.2392 -13.2219 -13.2219 -13.2060 -13.2060 -13.2031 -13.2031 -13.1913 -13.1913 -4.9206 -4.9206 -4.7451 -4.7451 -0.3368 -0.3368 1.3459 1.3459 4.7758 4.7758 5.7979 5.7979 6.0678 6.0678 6.1697 6.1697 6.5045 6.5045 7.5148 7.5148 8.4960 8.4960 8.8883 8.8883 9.2454 9.2454 10.0994 10.0994 k =-0.2974 0.7343-0.0000 ( 4131 PWs) bands (ev): -14.2706 -14.2706 -14.2687 -14.2687 -14.2452 -14.2452 -14.2342 -14.2342 -13.2435 -13.2435 -13.2392 -13.2392 -13.2219 -13.2219 -13.2059 -13.2059 -13.2031 -13.2031 -13.1913 -13.1913 -4.8901 -4.8901 -4.7595 -4.7595 -0.3401 -0.3401 1.2978 1.2978 4.7310 4.7310 5.8493 5.8493 6.0773 6.0773 6.1906 6.1906 6.5443 6.5443 7.5248 7.5248 8.4668 8.4668 8.8465 8.8465 9.2934 9.2934 10.0109 10.0109 k =-0.2906 0.7527-0.0000 ( 4131 PWs) bands (ev): -14.2707 -14.2707 -14.2687 -14.2687 -14.2452 -14.2452 -14.2342 -14.2342 -13.2435 -13.2435 -13.2391 -13.2391 -13.2220 -13.2220 -13.2058 -13.2058 -13.2031 -13.2031 -13.1913 -13.1913 -4.8597 -4.8597 -4.7757 -4.7757 -0.3386 -0.3386 1.2524 1.2524 4.6808 4.6808 5.9001 5.9001 6.0771 6.0771 6.2145 6.2145 6.5923 6.5923 7.5196 7.5196 8.4504 8.4504 8.8209 8.8209 9.3289 9.3289 9.9392 9.9392 k =-0.2839 0.7710-0.0000 ( 4123 PWs) bands (ev): -14.2707 -14.2707 -14.2686 -14.2686 -14.2451 -14.2451 -14.2342 -14.2342 -13.2435 -13.2435 -13.2391 -13.2391 -13.2220 -13.2220 -13.2057 -13.2057 -13.2030 -13.2030 -13.1913 -13.1913 -4.8295 -4.8295 -4.7938 -4.7938 -0.3321 -0.3321 1.2099 1.2099 4.6259 4.6259 5.9493 5.9493 6.0677 6.0677 6.2410 6.2410 6.6475 6.6475 7.4989 7.4989 8.4480 8.4480 8.8122 8.8122 9.3408 9.3408 9.8947 9.8947 k =-0.2839 0.7710-0.0000 ( 4123 PWs) bands (ev): -14.2707 -14.2707 -14.2686 -14.2686 -14.2451 -14.2451 -14.2342 -14.2342 -13.2435 -13.2435 -13.2391 -13.2391 -13.2220 -13.2220 -13.2057 -13.2057 -13.2030 -13.2030 -13.1913 -13.1913 -4.8295 -4.8295 -4.7938 -4.7938 -0.3321 -0.3321 1.2099 1.2099 4.6259 4.6259 5.9493 5.9493 6.0677 6.0677 6.2410 6.2410 6.6475 6.6475 7.4989 7.4989 8.4480 8.4480 8.8122 8.8122 9.3408 9.3408 9.8947 9.8947 k =-0.2839 0.7710 0.0195 ( 4123 PWs) bands (ev): -14.2707 -14.2707 -14.2687 -14.2687 -14.2451 -14.2451 -14.2342 -14.2342 -13.2435 -13.2435 -13.2391 -13.2391 -13.2220 -13.2220 -13.2057 -13.2057 -13.2030 -13.2030 -13.1913 -13.1913 -4.8291 -4.8291 -4.7933 -4.7933 -0.3307 -0.3307 1.2107 1.2107 4.6239 4.6239 5.9352 5.9352 6.0583 6.0583 6.2365 6.2365 6.6643 6.6643 7.4715 7.4715 8.4710 8.4710 8.8312 8.8312 9.3258 9.3258 9.8928 9.8928 k =-0.2839 0.7710 0.0390 ( 4122 PWs) bands (ev): -14.2707 -14.2707 -14.2687 -14.2687 -14.2451 -14.2451 -14.2342 -14.2342 -13.2435 -13.2435 -13.2391 -13.2391 -13.2220 -13.2220 -13.2057 -13.2057 -13.2030 -13.2030 -13.1913 -13.1913 -4.8277 -4.8277 -4.7920 -4.7920 -0.3267 -0.3267 1.2130 1.2130 4.6178 4.6178 5.8957 5.8957 6.0309 6.0309 6.2249 6.2249 6.7095 6.7095 7.3979 7.3979 8.5319 8.5319 8.8872 8.8872 9.2829 9.2829 9.8913 9.8913 k =-0.2839 0.7710 0.0586 ( 4128 PWs) bands (ev): -14.2707 -14.2707 -14.2687 -14.2687 -14.2451 -14.2451 -14.2343 -14.2343 -13.2435 -13.2435 -13.2392 -13.2392 -13.2220 -13.2220 -13.2057 -13.2057 -13.2030 -13.2030 -13.1913 -13.1913 -4.8254 -4.8254 -4.7898 -4.7898 -0.3199 -0.3199 1.2169 1.2169 4.6072 4.6072 5.8380 5.8380 5.9875 5.9875 6.2084 6.2084 6.7721 6.7721 7.2950 7.2950 8.6154 8.6154 8.9752 8.9752 9.2197 9.2197 9.8969 9.8969 k =-0.2839 0.7710 0.0781 ( 4123 PWs) bands (ev): -14.2707 -14.2707 -14.2687 -14.2687 -14.2450 -14.2450 -14.2343 -14.2343 -13.2435 -13.2435 -13.2392 -13.2392 -13.2220 -13.2220 -13.2057 -13.2057 -13.2029 -13.2029 -13.1913 -13.1913 -4.8221 -4.8221 -4.7867 -4.7867 -0.3104 -0.3104 1.2223 1.2223 4.5916 4.5916 5.7701 5.7701 5.9299 5.9299 6.1877 6.1877 6.8415 6.8415 7.1790 7.1790 8.7084 8.7084 9.0696 9.0696 9.1655 9.1655 9.9137 9.9137 k =-0.2839 0.7710 0.0976 ( 4123 PWs) bands (ev): -14.2707 -14.2707 -14.2687 -14.2687 -14.2450 -14.2450 -14.2343 -14.2343 -13.2435 -13.2435 -13.2392 -13.2392 -13.2220 -13.2220 -13.2058 -13.2058 -13.2028 -13.2028 -13.1913 -13.1913 -4.8180 -4.8180 -4.7828 -4.7828 -0.2982 -0.2982 1.2291 1.2291 4.5702 4.5702 5.6982 5.6982 5.8606 5.8606 6.1613 6.1613 6.9032 6.9032 7.0682 7.0682 8.7939 8.7939 9.0492 9.0492 9.2549 9.2549 9.9424 9.9424 k =-0.2839 0.7710 0.1171 ( 4119 PWs) bands (ev): -14.2707 -14.2707 -14.2687 -14.2687 -14.2449 -14.2449 -14.2343 -14.2343 -13.2435 -13.2435 -13.2393 -13.2393 -13.2220 -13.2220 -13.2058 -13.2058 -13.2027 -13.2027 -13.1914 -13.1914 -4.8130 -4.8130 -4.7781 -4.7781 -0.2834 -0.2834 1.2374 1.2374 4.5422 4.5422 5.6268 5.6268 5.7821 5.7821 6.1266 6.1266 6.8903 6.8903 7.0319 7.0319 8.8178 8.8178 9.0504 9.0504 9.4041 9.4041 9.9826 9.9826 k =-0.2839 0.7710 0.1366 ( 4117 PWs) bands (ev): -14.2708 -14.2708 -14.2688 -14.2688 -14.2448 -14.2448 -14.2344 -14.2344 -13.2435 -13.2435 -13.2394 -13.2394 -13.2220 -13.2220 -13.2059 -13.2059 -13.2026 -13.2026 -13.1914 -13.1914 -4.8072 -4.8072 -4.7725 -4.7725 -0.2658 -0.2658 1.2470 1.2470 4.5068 4.5068 5.5584 5.5584 5.6974 5.6974 6.0804 6.0804 6.7957 6.7957 7.0796 7.0796 8.7581 8.7581 9.1417 9.1417 9.5660 9.5660 10.0338 10.0338 k =-0.2839 0.7710 0.1561 ( 4117 PWs) bands (ev): -14.2708 -14.2708 -14.2688 -14.2688 -14.2447 -14.2447 -14.2344 -14.2344 -13.2435 -13.2435 -13.2395 -13.2395 -13.2220 -13.2220 -13.2060 -13.2060 -13.2025 -13.2025 -13.1914 -13.1914 -4.8005 -4.8005 -4.7662 -4.7662 -0.2456 -0.2456 1.2580 1.2580 4.4635 4.4635 5.4933 5.4933 5.6102 5.6102 6.0193 6.0193 6.7015 6.7015 7.1304 7.1304 8.6770 8.6770 9.2680 9.2680 9.7339 9.7339 10.0958 10.0958 k =-0.2839 0.7710 0.1757 ( 4116 PWs) bands (ev): -14.2708 -14.2708 -14.2689 -14.2689 -14.2446 -14.2446 -14.2344 -14.2344 -13.2435 -13.2435 -13.2395 -13.2395 -13.2220 -13.2220 -13.2061 -13.2061 -13.2023 -13.2023 -13.1915 -13.1915 -4.7931 -4.7931 -4.7592 -4.7592 -0.2227 -0.2227 1.2701 1.2701 4.4120 4.4120 5.4278 5.4278 5.5268 5.5268 5.9418 5.9418 6.6222 6.6222 7.1687 7.1687 8.6002 8.6002 9.4079 9.4079 9.9038 9.9038 10.1690 10.1690 k =-0.2839 0.7710 0.1952 ( 4116 PWs) bands (ev): -14.2708 -14.2708 -14.2689 -14.2689 -14.2445 -14.2445 -14.2345 -14.2345 -13.2435 -13.2435 -13.2396 -13.2396 -13.2220 -13.2220 -13.2062 -13.2062 -13.2021 -13.2021 -13.1915 -13.1915 -4.7850 -4.7850 -4.7515 -4.7515 -0.1971 -0.1971 1.2834 1.2834 4.3527 4.3527 5.3527 5.3527 5.4577 5.4577 5.8492 5.8492 6.5598 6.5598 7.1888 7.1888 8.5371 8.5371 9.5557 9.5557 10.0710 10.0710 10.2557 10.2557 k =-0.2839 0.7710 0.2147 ( 4123 PWs) bands (ev): -14.2708 -14.2708 -14.2689 -14.2689 -14.2444 -14.2444 -14.2346 -14.2346 -13.2435 -13.2435 -13.2397 -13.2397 -13.2220 -13.2220 -13.2064 -13.2064 -13.2019 -13.2019 -13.1915 -13.1915 -4.7762 -4.7762 -4.7432 -4.7432 -0.1690 -0.1690 1.2977 1.2977 4.2862 4.2862 5.2635 5.2635 5.4068 5.4068 5.7464 5.7464 6.5120 6.5120 7.1869 7.1869 8.4930 8.4930 9.7088 9.7088 10.2268 10.2268 10.3624 10.3624 k =-0.2839 0.7710 0.2342 ( 4129 PWs) bands (ev): -14.2709 -14.2709 -14.2690 -14.2690 -14.2442 -14.2442 -14.2346 -14.2346 -13.2435 -13.2435 -13.2398 -13.2398 -13.2219 -13.2219 -13.2066 -13.2066 -13.2016 -13.2016 -13.1916 -13.1916 -4.7667 -4.7667 -4.7343 -4.7343 -0.1382 -0.1382 1.3129 1.3129 4.2137 4.2137 5.1653 5.1653 5.3660 5.3660 5.6410 5.6410 6.4753 6.4753 7.1616 7.1616 8.4704 8.4704 9.8653 9.8653 10.3606 10.3606 10.4981 10.4981 k =-0.2839 0.7710 0.2537 ( 4132 PWs) bands (ev): -14.2709 -14.2709 -14.2691 -14.2691 -14.2441 -14.2441 -14.2347 -14.2347 -13.2435 -13.2435 -13.2399 -13.2399 -13.2219 -13.2219 -13.2069 -13.2069 -13.2013 -13.2013 -13.1916 -13.1916 -4.7567 -4.7567 -4.7249 -4.7249 -0.1049 -0.1049 1.3288 1.3288 4.1365 4.1365 5.0624 5.0624 5.3233 5.3233 5.5444 5.5444 6.4463 6.4463 7.1140 7.1140 8.4687 8.4687 10.0237 10.0237 10.4782 10.4782 10.6553 10.6553 k =-0.2839 0.7710 0.2733 ( 4130 PWs) bands (ev): -14.2709 -14.2709 -14.2691 -14.2691 -14.2439 -14.2439 -14.2348 -14.2348 -13.2435 -13.2435 -13.2401 -13.2401 -13.2218 -13.2218 -13.2071 -13.2071 -13.2011 -13.2011 -13.1916 -13.1916 -4.7462 -4.7462 -4.7150 -4.7150 -0.0690 -0.0690 1.3453 1.3453 4.0558 4.0558 4.9564 4.9564 5.2633 5.2633 5.4730 5.4730 6.4220 6.4220 7.0475 7.0475 8.4853 8.4853 10.1824 10.1824 10.5922 10.5922 10.8194 10.8194 k =-0.2839 0.7710 0.2928 ( 4130 PWs) bands (ev): -14.2709 -14.2709 -14.2692 -14.2692 -14.2438 -14.2438 -14.2349 -14.2349 -13.2435 -13.2435 -13.2402 -13.2402 -13.2218 -13.2218 -13.2074 -13.2074 -13.2008 -13.2008 -13.1916 -13.1916 -4.7352 -4.7352 -4.7048 -4.7048 -0.0306 -0.0306 1.3622 1.3622 3.9730 3.9730 4.8475 4.8475 5.1799 5.1799 5.4345 5.4345 6.4004 6.4004 6.9667 6.9667 8.5167 8.5167 10.3397 10.3397 10.7080 10.7080 10.9831 10.9831 k =-0.2839 0.7710 0.3123 ( 4134 PWs) bands (ev): -14.2710 -14.2710 -14.2692 -14.2692 -14.2436 -14.2436 -14.2349 -14.2349 -13.2436 -13.2436 -13.2403 -13.2403 -13.2217 -13.2217 -13.2077 -13.2077 -13.2005 -13.2005 -13.1916 -13.1916 -4.7238 -4.7238 -4.6942 -4.6942 0.0103 0.0103 1.3793 1.3793 3.8892 3.8892 4.7358 4.7358 5.0845 5.0845 5.4186 5.4186 6.3798 6.3798 6.8764 6.8764 8.5591 8.5591 10.4933 10.4933 10.8267 10.8267 11.1432 11.1432 k =-0.2839 0.7710 0.3318 ( 4138 PWs) bands (ev): -14.2710 -14.2710 -14.2693 -14.2693 -14.2434 -14.2434 -14.2350 -14.2350 -13.2436 -13.2436 -13.2404 -13.2404 -13.2216 -13.2216 -13.2081 -13.2081 -13.2001 -13.2001 -13.1916 -13.1916 -4.7122 -4.7122 -4.6834 -4.6834 0.0537 0.0537 1.3964 1.3964 3.8052 3.8052 4.6210 4.6210 4.9885 4.9885 5.4148 5.4148 6.3583 6.3583 6.7808 6.7808 8.6096 8.6096 10.6408 10.6408 10.9481 10.9481 11.2975 11.2975 k =-0.2839 0.7710 0.3513 ( 4138 PWs) bands (ev): -14.2710 -14.2710 -14.2694 -14.2694 -14.2432 -14.2432 -14.2351 -14.2351 -13.2436 -13.2436 -13.2405 -13.2405 -13.2215 -13.2215 -13.2084 -13.2084 -13.1998 -13.1998 -13.1916 -13.1916 -4.7003 -4.7003 -4.6724 -4.6724 0.0994 0.0994 1.4132 1.4132 3.7219 3.7219 4.5035 4.5035 4.8974 4.8974 5.4178 5.4178 6.3337 6.3337 6.6847 6.6847 8.6660 8.6660 10.7786 10.7786 11.0712 11.0712 11.4447 11.4447 k =-0.2839 0.7710 0.3708 ( 4137 PWs) bands (ev): -14.2710 -14.2710 -14.2695 -14.2695 -14.2430 -14.2430 -14.2353 -14.2353 -13.2436 -13.2436 -13.2406 -13.2406 -13.2214 -13.2214 -13.2088 -13.2088 -13.1995 -13.1995 -13.1916 -13.1916 -4.6882 -4.6882 -4.6613 -4.6613 0.1474 0.1474 1.4295 1.4295 3.6401 3.6401 4.3839 4.3839 4.8136 4.8136 5.4248 5.4248 6.3028 6.3028 6.5932 6.5932 8.7268 8.7268 10.9023 10.9023 11.1948 11.1948 11.5839 11.5839 k =-0.2839 0.7710 0.3904 ( 4131 PWs) bands (ev): -14.2711 -14.2711 -14.2695 -14.2695 -14.2428 -14.2428 -14.2354 -14.2354 -13.2436 -13.2436 -13.2407 -13.2407 -13.2213 -13.2213 -13.2092 -13.2092 -13.1992 -13.1992 -13.1916 -13.1916 -4.6761 -4.6761 -4.6502 -4.6502 0.1977 0.1977 1.4450 1.4450 3.5602 3.5602 4.2632 4.2632 4.7378 4.7378 5.4340 5.4340 6.2604 6.2604 6.5129 6.5129 8.7908 8.7908 11.0060 11.0060 11.3175 11.3175 11.7156 11.7156 k =-0.2839 0.7710 0.4099 ( 4137 PWs) bands (ev): -14.2711 -14.2711 -14.2696 -14.2696 -14.2426 -14.2426 -14.2355 -14.2355 -13.2437 -13.2437 -13.2409 -13.2409 -13.2211 -13.2211 -13.2096 -13.2096 -13.1989 -13.1989 -13.1916 -13.1916 -4.6640 -4.6640 -4.6392 -4.6392 0.2501 0.2501 1.4593 1.4593 3.4828 3.4828 4.1425 4.1425 4.6704 4.6704 5.4440 5.4440 6.2024 6.2024 6.4497 6.4497 8.8574 8.8574 11.0834 11.0834 11.4387 11.4387 11.8414 11.8414 k =-0.2839 0.7710 0.4294 ( 4141 PWs) bands (ev): -14.2711 -14.2711 -14.2697 -14.2697 -14.2424 -14.2424 -14.2356 -14.2356 -13.2437 -13.2437 -13.2410 -13.2410 -13.2210 -13.2210 -13.2100 -13.2100 -13.1986 -13.1986 -13.1915 -13.1915 -4.6520 -4.6520 -4.6284 -4.6284 0.3047 0.3047 1.4721 1.4721 3.4083 3.4083 4.0229 4.0229 4.6112 4.6112 5.4530 5.4530 6.1303 6.1303 6.4039 6.4039 8.9260 8.9260 11.1298 11.1298 11.5583 11.5583 11.9634 11.9634 k =-0.2839 0.7710 0.4489 ( 4148 PWs) bands (ev): -14.2711 -14.2711 -14.2697 -14.2697 -14.2421 -14.2421 -14.2358 -14.2358 -13.2437 -13.2437 -13.2411 -13.2411 -13.2208 -13.2208 -13.2104 -13.2104 -13.1983 -13.1983 -13.1915 -13.1915 -4.6402 -4.6402 -4.6178 -4.6178 0.3612 0.3612 1.4831 1.4831 3.3371 3.3371 3.9052 3.9052 4.5603 4.5603 5.4587 5.4587 6.0520 6.0520 6.3701 6.3701 8.9965 8.9965 11.1447 11.1447 11.6760 11.6760 12.0821 12.0821 k =-0.2839 0.7710 0.4684 ( 4149 PWs) bands (ev): -14.2712 -14.2712 -14.2698 -14.2698 -14.2419 -14.2419 -14.2359 -14.2359 -13.2438 -13.2438 -13.2412 -13.2412 -13.2206 -13.2206 -13.2108 -13.2108 -13.1980 -13.1980 -13.1915 -13.1915 -4.6287 -4.6287 -4.6076 -4.6076 0.4195 0.4195 1.4919 1.4919 3.2696 3.2696 3.7904 3.7904 4.5176 4.5176 5.4578 5.4578 5.9762 5.9762 6.3428 6.3428 9.0685 9.0685 11.1318 11.1318 11.7912 11.7912 12.1952 12.1952 k =-0.2839 0.7710 0.4880 ( 4149 PWs) bands (ev): -14.2712 -14.2712 -14.2699 -14.2699 -14.2417 -14.2417 -14.2361 -14.2361 -13.2438 -13.2438 -13.2412 -13.2412 -13.2204 -13.2204 -13.2112 -13.2112 -13.1977 -13.1977 -13.1915 -13.1915 -4.6175 -4.6175 -4.5978 -4.5978 0.4795 0.4795 1.4980 1.4980 3.2062 3.2062 3.6793 3.6793 4.4829 4.4829 5.4458 5.4458 5.9110 5.9110 6.3188 6.3188 9.1420 9.1420 11.0968 11.0968 11.9027 11.9027 12.2980 12.2980 k =-0.2839 0.7710 0.5075 ( 4149 PWs) bands (ev): -14.2712 -14.2712 -14.2699 -14.2699 -14.2414 -14.2414 -14.2363 -14.2363 -13.2438 -13.2438 -13.2413 -13.2413 -13.2202 -13.2202 -13.2117 -13.2117 -13.1975 -13.1975 -13.1914 -13.1914 -4.6068 -4.6068 -4.5884 -4.5884 0.5411 0.5411 1.5011 1.5011 3.1470 3.1470 3.5727 3.5727 4.4564 4.4564 5.4178 5.4178 5.8630 5.8630 6.2962 6.2962 9.2168 9.2168 11.0454 11.0454 12.0088 12.0088 12.3850 12.3850 k =-0.2839 0.7710 0.5270 ( 4147 PWs) bands (ev): -14.2712 -14.2712 -14.2700 -14.2700 -14.2412 -14.2412 -14.2364 -14.2364 -13.2439 -13.2439 -13.2414 -13.2414 -13.2200 -13.2200 -13.2121 -13.2121 -13.1972 -13.1972 -13.1914 -13.1914 -4.5966 -4.5966 -4.5797 -4.5797 0.6040 0.6040 1.5007 1.5007 3.0925 3.0925 3.4712 3.4712 4.4378 4.4378 5.3720 5.3720 5.8352 5.8352 6.2741 6.2741 9.2930 9.2930 10.9822 10.9822 12.1082 12.1082 12.4516 12.4516 k =-0.2839 0.7710 0.5465 ( 4148 PWs) bands (ev): -14.2712 -14.2712 -14.2701 -14.2701 -14.2409 -14.2409 -14.2366 -14.2366 -13.2439 -13.2439 -13.2415 -13.2415 -13.2198 -13.2198 -13.2125 -13.2125 -13.1970 -13.1970 -13.1914 -13.1914 -4.5870 -4.5870 -4.5716 -4.5716 0.6679 0.6679 1.4962 1.4962 3.0429 3.0429 3.3756 3.3756 4.4272 4.4272 5.3109 5.3109 5.8256 5.8256 6.2520 6.2520 9.3705 9.3705 10.9105 10.9105 12.1989 12.1989 12.4974 12.4974 k =-0.2839 0.7710 0.5660 ( 4144 PWs) bands (ev): -14.2713 -14.2713 -14.2701 -14.2701 -14.2407 -14.2407 -14.2368 -14.2368 -13.2439 -13.2439 -13.2416 -13.2416 -13.2195 -13.2195 -13.2129 -13.2129 -13.1968 -13.1968 -13.1913 -13.1913 -4.5781 -4.5781 -4.5643 -4.5643 0.7326 0.7326 1.4874 1.4874 2.9985 2.9985 3.2865 3.2865 4.4245 4.4245 5.2398 5.2398 5.8294 5.8294 6.2295 6.2295 9.4492 9.4492 10.8329 10.8329 12.2794 12.2794 12.5265 12.5265 k =-0.2839 0.7710 0.5855 ( 4152 PWs) bands (ev): -14.2713 -14.2713 -14.2702 -14.2702 -14.2405 -14.2405 -14.2370 -14.2370 -13.2439 -13.2439 -13.2416 -13.2416 -13.2193 -13.2193 -13.2133 -13.2133 -13.1966 -13.1966 -13.1913 -13.1913 -4.5699 -4.5699 -4.5577 -4.5577 0.7978 0.7978 1.4738 1.4738 2.9597 2.9597 3.2047 3.2047 4.4296 4.4296 5.1637 5.1637 5.8420 5.8420 6.2065 6.2065 9.5290 9.5290 10.7512 10.7512 12.3479 12.3479 12.5443 12.5443 k =-0.2839 0.7710 0.6051 ( 4156 PWs) bands (ev): -14.2713 -14.2713 -14.2702 -14.2702 -14.2402 -14.2402 -14.2372 -14.2372 -13.2440 -13.2440 -13.2417 -13.2417 -13.2190 -13.2190 -13.2137 -13.2137 -13.1964 -13.1964 -13.1913 -13.1913 -4.5626 -4.5626 -4.5521 -4.5521 0.8631 0.8631 1.4550 1.4550 2.9267 2.9267 3.1308 3.1308 4.4422 4.4422 5.0860 5.0860 5.8600 5.8600 6.1830 6.1830 9.6099 9.6099 10.6669 10.6669 12.4029 12.4029 12.5560 12.5560 k =-0.2839 0.7710 0.6246 ( 4154 PWs) bands (ev): -14.2713 -14.2713 -14.2702 -14.2702 -14.2400 -14.2400 -14.2374 -14.2374 -13.2440 -13.2440 -13.2417 -13.2417 -13.2188 -13.2188 -13.2141 -13.2141 -13.1963 -13.1963 -13.1912 -13.1912 -4.5561 -4.5561 -4.5473 -4.5473 0.9280 0.9280 1.4308 1.4308 2.9001 2.9001 3.0654 3.0654 4.4621 4.4621 5.0090 5.0090 5.8815 5.8815 6.1590 6.1590 9.6917 9.6917 10.5810 10.5810 12.4440 12.4440 12.5652 12.5652 k =-0.2839 0.7710 0.6441 ( 4156 PWs) bands (ev): -14.2713 -14.2713 -14.2703 -14.2703 -14.2398 -14.2398 -14.2375 -14.2375 -13.2440 -13.2440 -13.2418 -13.2418 -13.2186 -13.2186 -13.2144 -13.2144 -13.1962 -13.1962 -13.1912 -13.1912 -4.5506 -4.5506 -4.5435 -4.5435 0.9921 0.9921 1.4010 1.4010 2.8800 2.8800 3.0088 3.0088 4.4891 4.4891 4.9342 4.9342 5.9049 5.9049 6.1347 6.1347 9.7740 9.7740 10.4944 10.4944 12.4721 12.4721 12.5732 12.5732 k =-0.2839 0.7710 0.6636 ( 4154 PWs) bands (ev): -14.2713 -14.2713 -14.2703 -14.2703 -14.2396 -14.2396 -14.2377 -14.2377 -13.2440 -13.2440 -13.2418 -13.2418 -13.2183 -13.2183 -13.2147 -13.2147 -13.1961 -13.1961 -13.1912 -13.1912 -4.5461 -4.5461 -4.5407 -4.5407 1.0547 1.0547 1.3656 1.3656 2.8670 2.8670 2.9614 2.9614 4.5226 4.5226 4.8630 4.8630 5.9290 5.9290 6.1105 6.1105 9.8564 9.8564 10.4084 10.4084 12.4898 12.4898 12.5801 12.5801 k =-0.2839 0.7710 0.6831 ( 4158 PWs) bands (ev): -14.2713 -14.2713 -14.2703 -14.2703 -14.2394 -14.2394 -14.2379 -14.2379 -13.2440 -13.2440 -13.2418 -13.2418 -13.2181 -13.2181 -13.2150 -13.2150 -13.1960 -13.1960 -13.1912 -13.1912 -4.5426 -4.5426 -4.5389 -4.5389 1.1152 1.1152 1.3248 1.3248 2.8615 2.8615 2.9234 2.9234 4.5618 4.5618 4.7965 4.7965 5.9524 5.9524 6.0874 6.0874 9.9371 9.9371 10.3248 10.3248 12.5002 12.5002 12.5851 12.5851 k =-0.2839 0.7710 0.7027 ( 4152 PWs) bands (ev): -14.2713 -14.2713 -14.2703 -14.2703 -14.2392 -14.2392 -14.2380 -14.2380 -13.2440 -13.2440 -13.2418 -13.2418 -13.2180 -13.2180 -13.2151 -13.2151 -13.1960 -13.1960 -13.1912 -13.1912 -4.5401 -4.5401 -4.5382 -4.5382 1.1729 1.1729 1.2791 1.2791 2.8639 2.8639 2.8947 2.8947 4.6041 4.6041 4.7377 4.7377 5.9721 5.9721 6.0679 6.0679 10.0107 10.0107 10.2495 10.2495 12.5057 12.5057 12.5879 12.5879 k =-0.2839 0.7710 0.7222 ( 4144 PWs) bands (ev): -14.2713 -14.2713 -14.2703 -14.2703 -14.2392 -14.2392 -14.2381 -14.2381 -13.2440 -13.2440 -13.2418 -13.2418 -13.2180 -13.2180 -13.2152 -13.2152 -13.1960 -13.1960 -13.1912 -13.1912 -4.5389 -4.5389 -4.5384 -4.5384 1.2207 1.2207 1.2353 1.2353 2.8732 2.8732 2.8766 2.8766 4.6317 4.6317 4.7046 4.7046 5.9809 5.9809 6.0592 6.0592 10.0494 10.0494 10.2102 10.2102 12.5074 12.5074 12.5888 12.5888 k =-0.2839 0.7710 0.7222 ( 4144 PWs) bands (ev): -14.2713 -14.2713 -14.2703 -14.2703 -14.2392 -14.2392 -14.2381 -14.2381 -13.2440 -13.2440 -13.2418 -13.2418 -13.2180 -13.2180 -13.2152 -13.2152 -13.1960 -13.1960 -13.1912 -13.1912 -4.5389 -4.5389 -4.5384 -4.5384 1.2207 1.2207 1.2353 1.2353 2.8732 2.8732 2.8766 2.8766 4.6317 4.6317 4.7046 4.7046 5.9809 5.9809 6.0592 6.0592 10.0494 10.0494 10.2102 10.2102 12.5074 12.5074 12.5888 12.5888 k =-0.2906 0.7527 0.7222 ( 4144 PWs) bands (ev): -14.2713 -14.2713 -14.2703 -14.2703 -14.2392 -14.2392 -14.2381 -14.2381 -13.2439 -13.2439 -13.2418 -13.2418 -13.2180 -13.2180 -13.2153 -13.2153 -13.1959 -13.1959 -13.1912 -13.1912 -4.5435 -4.5435 -4.5430 -4.5430 1.1758 1.1758 1.1897 1.1897 2.9035 2.9035 2.9086 2.9086 4.7035 4.7035 4.7798 4.7798 6.0205 6.0205 6.1020 6.1020 9.9749 9.9749 10.1378 10.1378 12.4882 12.4882 12.5784 12.5784 k =-0.2974 0.7343 0.7222 ( 4152 PWs) bands (ev): -14.2713 -14.2713 -14.2703 -14.2703 -14.2392 -14.2392 -14.2381 -14.2381 -13.2438 -13.2438 -13.2417 -13.2417 -13.2180 -13.2180 -13.2154 -13.2154 -13.1958 -13.1958 -13.1912 -13.1912 -4.5491 -4.5491 -4.5486 -4.5486 1.1282 1.1282 1.1413 1.1413 2.9415 2.9415 2.9483 2.9483 4.7803 4.7803 4.8604 4.8604 6.0595 6.0595 6.1445 6.1445 9.8995 9.8995 10.0646 10.0646 12.4669 12.4669 12.5701 12.5701 k =-0.3042 0.7160 0.7222 ( 4148 PWs) bands (ev): -14.2713 -14.2713 -14.2703 -14.2703 -14.2391 -14.2391 -14.2381 -14.2381 -13.2437 -13.2437 -13.2417 -13.2417 -13.2181 -13.2181 -13.2155 -13.2155 -13.1958 -13.1958 -13.1912 -13.1912 -4.5556 -4.5556 -4.5550 -4.5550 1.0785 1.0785 1.0908 1.0908 2.9867 2.9867 2.9951 2.9951 4.8618 4.8618 4.9460 4.9460 6.0978 6.0978 6.1868 6.1868 9.8232 9.8232 9.9907 9.9907 12.4419 12.4419 12.5634 12.5634 k =-0.3109 0.6976 0.7222 ( 4136 PWs) bands (ev): -14.2713 -14.2713 -14.2702 -14.2702 -14.2391 -14.2391 -14.2381 -14.2381 -13.2436 -13.2436 -13.2416 -13.2416 -13.2181 -13.2181 -13.2156 -13.2156 -13.1957 -13.1957 -13.1913 -13.1913 -4.5630 -4.5630 -4.5624 -4.5624 1.0273 1.0273 1.0390 1.0390 3.0386 3.0386 3.0486 3.0486 4.9474 4.9474 5.0361 5.0361 6.1353 6.1353 6.2287 6.2287 9.7460 9.7460 9.9158 9.9158 12.4101 12.4101 12.5570 12.5570 k =-0.3177 0.6793 0.7222 ( 4134 PWs) bands (ev): -14.2713 -14.2713 -14.2702 -14.2702 -14.2391 -14.2391 -14.2381 -14.2381 -13.2434 -13.2434 -13.2416 -13.2416 -13.2181 -13.2181 -13.2158 -13.2158 -13.1957 -13.1957 -13.1913 -13.1913 -4.5710 -4.5710 -4.5704 -4.5704 0.9754 0.9754 0.9864 0.9864 3.0969 3.0969 3.1083 3.1083 5.0367 5.0367 5.1303 5.1303 6.1722 6.1722 6.2706 6.2706 9.6677 9.6677 9.8400 9.8400 12.3676 12.3676 12.5482 12.5482 k =-0.3244 0.6610 0.7222 ( 4130 PWs) bands (ev): -14.2713 -14.2713 -14.2702 -14.2702 -14.2391 -14.2391 -14.2381 -14.2381 -13.2433 -13.2433 -13.2415 -13.2415 -13.2181 -13.2181 -13.2159 -13.2159 -13.1956 -13.1956 -13.1914 -13.1914 -4.5798 -4.5798 -4.5792 -4.5792 0.9231 0.9231 0.9335 0.9335 3.1612 3.1612 3.1739 3.1739 5.1290 5.1290 5.2282 5.2282 6.2083 6.2083 6.3125 6.3125 9.5884 9.5884 9.7632 9.7632 12.3105 12.3105 12.5309 12.5309 k =-0.3312 0.6426 0.7222 ( 4126 PWs) bands (ev): -14.2713 -14.2713 -14.2702 -14.2702 -14.2391 -14.2391 -14.2381 -14.2381 -13.2432 -13.2432 -13.2414 -13.2414 -13.2181 -13.2181 -13.2160 -13.2160 -13.1956 -13.1956 -13.1915 -13.1915 -4.5892 -4.5892 -4.5885 -4.5885 0.8710 0.8710 0.8808 0.8808 3.2310 3.2310 3.2451 3.2451 5.2237 5.2237 5.3291 5.3291 6.2440 6.2440 6.3548 6.3548 9.5079 9.5079 9.6852 9.6852 12.2368 12.2368 12.4929 12.4929 k =-0.3379 0.6243 0.7222 ( 4138 PWs) bands (ev): -14.2713 -14.2713 -14.2702 -14.2702 -14.2391 -14.2391 -14.2381 -14.2381 -13.2430 -13.2430 -13.2413 -13.2413 -13.2181 -13.2181 -13.2161 -13.2161 -13.1955 -13.1955 -13.1916 -13.1916 -4.5991 -4.5991 -4.5984 -4.5984 0.8193 0.8193 0.8285 0.8285 3.3062 3.3062 3.3216 3.3216 5.3201 5.3201 5.4325 5.4325 6.2795 6.2795 6.3978 6.3978 9.4261 9.4261 9.6059 9.6059 12.1476 12.1476 12.4219 12.4219 k =-0.3447 0.6059 0.7222 ( 4142 PWs) bands (ev): -14.2713 -14.2713 -14.2701 -14.2701 -14.2391 -14.2391 -14.2382 -14.2382 -13.2429 -13.2429 -13.2412 -13.2412 -13.2181 -13.2181 -13.2162 -13.2162 -13.1954 -13.1954 -13.1916 -13.1916 -4.6094 -4.6094 -4.6087 -4.6087 0.7685 0.7685 0.7771 0.7771 3.3864 3.3864 3.4031 3.4031 5.4173 5.4173 5.5375 5.5375 6.3152 6.3152 6.4419 6.4419 9.3429 9.3429 9.5252 9.5252 12.0461 12.0461 12.3217 12.3217 k =-0.3514 0.5876 0.7222 ( 4134 PWs) bands (ev): -14.2712 -14.2712 -14.2701 -14.2701 -14.2391 -14.2391 -14.2382 -14.2382 -13.2427 -13.2427 -13.2412 -13.2412 -13.2181 -13.2181 -13.2163 -13.2163 -13.1954 -13.1954 -13.1917 -13.1917 -4.6201 -4.6201 -4.6194 -4.6194 0.7187 0.7187 0.7268 0.7268 3.4714 3.4714 3.4894 3.4894 5.5143 5.5143 5.6432 5.6432 6.3517 6.3517 6.4879 6.4879 9.2582 9.2582 9.4431 9.4431 11.9361 11.9361 12.2054 12.2054 k =-0.3582 0.5693 0.7222 ( 4138 PWs) bands (ev): -14.2712 -14.2712 -14.2701 -14.2701 -14.2391 -14.2391 -14.2382 -14.2382 -13.2426 -13.2426 -13.2411 -13.2411 -13.2181 -13.2181 -13.2164 -13.2164 -13.1953 -13.1953 -13.1918 -13.1918 -4.6310 -4.6310 -4.6304 -4.6304 0.6702 0.6702 0.6778 0.6778 3.5610 3.5610 3.5803 3.5803 5.6100 5.6100 5.7481 5.7481 6.3900 6.3900 6.5366 6.5366 9.1721 9.1721 9.3593 9.3593 11.8208 11.8208 12.0822 12.0822 k =-0.3649 0.5509 0.7222 ( 4138 PWs) bands (ev): -14.2712 -14.2712 -14.2701 -14.2701 -14.2390 -14.2390 -14.2382 -14.2382 -13.2424 -13.2424 -13.2410 -13.2410 -13.2181 -13.2181 -13.2166 -13.2166 -13.1953 -13.1953 -13.1919 -13.1919 -4.6421 -4.6421 -4.6415 -4.6415 0.6231 0.6231 0.6304 0.6304 3.6549 3.6549 3.6756 3.6756 5.7029 5.7029 5.8505 5.8505 6.4314 6.4314 6.5887 6.5887 9.0844 9.0844 9.2740 9.2740 11.7031 11.7031 11.9566 11.9566 k =-0.3717 0.5326 0.7222 ( 4138 PWs) bands (ev): -14.2711 -14.2711 -14.2701 -14.2701 -14.2390 -14.2390 -14.2383 -14.2383 -13.2423 -13.2423 -13.2409 -13.2409 -13.2181 -13.2181 -13.2167 -13.2167 -13.1952 -13.1952 -13.1920 -13.1920 -4.6533 -4.6533 -4.6527 -4.6527 0.5778 0.5778 0.5845 0.5845 3.7531 3.7531 3.7750 3.7750 5.7917 5.7917 5.9479 5.9479 6.4779 6.4779 6.6454 6.6454 8.9953 8.9953 9.1872 9.1872 11.5848 11.5848 11.8314 11.8314 k =-0.3784 0.5142 0.7222 ( 4134 PWs) bands (ev): -14.2711 -14.2711 -14.2700 -14.2700 -14.2390 -14.2390 -14.2383 -14.2383 -13.2422 -13.2422 -13.2408 -13.2408 -13.2180 -13.2180 -13.2168 -13.2168 -13.1952 -13.1952 -13.1921 -13.1921 -4.6645 -4.6645 -4.6639 -4.6639 0.5342 0.5342 0.5405 0.5405 3.8552 3.8552 3.8784 3.8784 5.8748 5.8748 6.0374 6.0374 6.5316 6.5316 6.7074 6.7074 8.9050 8.9050 9.0991 9.0991 11.4677 11.4677 11.7082 11.7082 k =-0.3852 0.4959 0.7222 ( 4134 PWs) bands (ev): -14.2711 -14.2711 -14.2700 -14.2700 -14.2390 -14.2390 -14.2383 -14.2383 -13.2420 -13.2420 -13.2408 -13.2408 -13.2180 -13.2180 -13.2168 -13.2168 -13.1951 -13.1951 -13.1922 -13.1922 -4.6756 -4.6756 -4.6750 -4.6750 0.4925 0.4925 0.4984 0.4984 3.9610 3.9610 3.9857 3.9857 5.9510 5.9510 6.1160 6.1160 6.5948 6.5948 6.7754 6.7754 8.8139 8.8139 9.0102 9.0102 11.3531 11.3531 11.5883 11.5883 k =-0.3919 0.4776 0.7222 ( 4134 PWs) bands (ev): -14.2710 -14.2710 -14.2700 -14.2700 -14.2390 -14.2390 -14.2383 -14.2383 -13.2419 -13.2419 -13.2407 -13.2407 -13.2180 -13.2180 -13.2169 -13.2169 -13.1950 -13.1950 -13.1923 -13.1923 -4.6865 -4.6865 -4.6859 -4.6859 0.4529 0.4529 0.4584 0.4584 4.0704 4.0704 4.0965 4.0965 6.0192 6.0192 6.1820 6.1820 6.6682 6.6682 6.8492 6.8492 8.7228 8.7228 8.9214 8.9214 11.2419 11.2419 11.4728 11.4728 k =-0.3987 0.4592 0.7222 ( 4138 PWs) bands (ev): -14.2710 -14.2710 -14.2700 -14.2700 -14.2390 -14.2390 -14.2384 -14.2384 -13.2418 -13.2418 -13.2406 -13.2406 -13.2180 -13.2180 -13.2170 -13.2170 -13.1950 -13.1950 -13.1924 -13.1924 -4.6972 -4.6972 -4.6967 -4.6967 0.4153 0.4153 0.4204 0.4204 4.1832 4.1832 4.2108 4.2108 6.0791 6.0791 6.2352 6.2352 6.7501 6.7501 6.9279 6.9279 8.6330 8.6330 8.8337 8.8337 11.1351 11.1351 11.3625 11.3625 k =-0.4055 0.4409 0.7222 ( 4154 PWs) bands (ev): -14.2709 -14.2709 -14.2700 -14.2700 -14.2390 -14.2390 -14.2384 -14.2384 -13.2417 -13.2417 -13.2406 -13.2406 -13.2179 -13.2179 -13.2171 -13.2171 -13.1949 -13.1949 -13.1925 -13.1925 -4.7076 -4.7076 -4.7070 -4.7070 0.3799 0.3799 0.3846 0.3846 4.2990 4.2990 4.3282 4.3282 6.1306 6.1306 6.2775 6.2775 6.8371 6.8371 7.0090 7.0090 8.5465 8.5465 8.7493 8.7493 11.0330 11.0330 11.2578 11.2578 k =-0.4122 0.4225 0.7222 ( 4154 PWs) bands (ev): -14.2709 -14.2709 -14.2700 -14.2700 -14.2390 -14.2390 -14.2384 -14.2384 -13.2415 -13.2415 -13.2405 -13.2405 -13.2179 -13.2179 -13.2171 -13.2171 -13.1948 -13.1948 -13.1926 -13.1926 -4.7176 -4.7176 -4.7170 -4.7170 0.3467 0.3467 0.3511 0.3511 4.4178 4.4178 4.4486 4.4486 6.1744 6.1744 6.3110 6.3110 6.9238 6.9238 7.0889 7.0889 8.4664 8.4664 8.6708 8.6708 10.9358 10.9358 11.1594 11.1594 k =-0.4190 0.4042 0.7222 ( 4146 PWs) bands (ev): -14.2709 -14.2709 -14.2700 -14.2700 -14.2390 -14.2390 -14.2384 -14.2384 -13.2414 -13.2414 -13.2405 -13.2405 -13.2179 -13.2179 -13.2172 -13.2172 -13.1948 -13.1948 -13.1928 -13.1928 -4.7271 -4.7271 -4.7266 -4.7266 0.3159 0.3159 0.3199 0.3199 4.5392 4.5392 4.5718 4.5718 6.2111 6.2111 6.3378 6.3378 7.0041 7.0041 7.1617 7.1617 8.3977 8.3977 8.6025 8.6025 10.8436 10.8436 11.0675 11.0675 k =-0.4257 0.3859 0.7222 ( 4134 PWs) bands (ev): -14.2708 -14.2708 -14.2700 -14.2700 -14.2389 -14.2389 -14.2385 -14.2385 -13.2413 -13.2413 -13.2405 -13.2405 -13.2178 -13.2178 -13.2173 -13.2173 -13.1947 -13.1947 -13.1929 -13.1929 -4.7361 -4.7361 -4.7356 -4.7356 0.2873 0.2873 0.2910 0.2910 4.6629 4.6629 4.6974 4.6974 6.2416 6.2416 6.3594 6.3594 7.0713 7.0713 7.2199 7.2199 8.3473 8.3473 8.5496 8.5496 10.7558 10.7558 10.9823 10.9823 k =-0.4325 0.3675 0.7222 ( 4128 PWs) bands (ev): -14.2708 -14.2708 -14.2701 -14.2701 -14.2389 -14.2389 -14.2385 -14.2385 -13.2412 -13.2412 -13.2404 -13.2404 -13.2178 -13.2178 -13.2173 -13.2173 -13.1946 -13.1946 -13.1930 -13.1930 -4.7445 -4.7445 -4.7440 -4.7440 0.2612 0.2612 0.2645 0.2645 4.7886 4.7886 4.8251 4.8251 6.2667 6.2667 6.3772 6.3772 7.1180 7.1180 7.2545 7.2545 8.3235 8.3235 8.5186 8.5186 10.6714 10.6714 10.9034 10.9034 k =-0.4392 0.3492 0.7222 ( 4128 PWs) bands (ev): -14.2707 -14.2707 -14.2701 -14.2701 -14.2389 -14.2389 -14.2385 -14.2385 -13.2411 -13.2411 -13.2404 -13.2404 -13.2178 -13.2178 -13.2174 -13.2174 -13.1946 -13.1946 -13.1931 -13.1931 -4.7522 -4.7522 -4.7519 -4.7519 0.2374 0.2374 0.2404 0.2404 4.9159 4.9159 4.9545 4.9545 6.2869 6.2869 6.3917 6.3917 7.1380 7.1380 7.2581 7.2581 8.3331 8.3331 8.5152 8.5152 10.5890 10.5890 10.8302 10.8302 k =-0.4460 0.3308 0.7222 ( 4136 PWs) bands (ev): -14.2707 -14.2707 -14.2701 -14.2701 -14.2389 -14.2389 -14.2386 -14.2386 -13.2411 -13.2411 -13.2404 -13.2404 -13.2178 -13.2178 -13.2174 -13.2174 -13.1945 -13.1945 -13.1932 -13.1932 -4.7593 -4.7593 -4.7590 -4.7590 0.2162 0.2162 0.2188 0.2188 5.0442 5.0442 5.0852 5.0852 6.3027 6.3027 6.4036 6.4036 7.1280 7.1280 7.2293 7.2293 8.3775 8.3775 8.5422 8.5422 10.5062 10.5062 10.7602 10.7602 k =-0.4527 0.3125 0.7222 ( 4134 PWs) bands (ev): -14.2706 -14.2706 -14.2701 -14.2701 -14.2389 -14.2389 -14.2386 -14.2386 -13.2410 -13.2410 -13.2404 -13.2404 -13.2177 -13.2177 -13.2174 -13.2174 -13.1944 -13.1944 -13.1932 -13.1932 -4.7657 -4.7657 -4.7654 -4.7654 0.1973 0.1973 0.1996 0.1996 5.1731 5.1731 5.2165 5.2165 6.3143 6.3143 6.4130 6.4130 7.0895 7.0895 7.1728 7.1728 8.4518 8.4518 8.5984 8.5984 10.4199 10.4199 10.6852 10.6852 k =-0.4595 0.2942 0.7222 ( 4122 PWs) bands (ev): -14.2706 -14.2706 -14.2701 -14.2701 -14.2389 -14.2389 -14.2386 -14.2386 -13.2409 -13.2409 -13.2404 -13.2404 -13.2177 -13.2177 -13.2175 -13.2175 -13.1943 -13.1943 -13.1933 -13.1933 -4.7713 -4.7713 -4.7710 -4.7710 0.1810 0.1810 0.1829 0.1829 5.3015 5.3015 5.3475 5.3475 6.3216 6.3216 6.4201 6.4201 7.0276 7.0276 7.0966 7.0966 8.5483 8.5483 8.6788 8.6788 10.3271 10.3271 10.5839 10.5839 k =-0.4662 0.2758 0.7222 ( 4126 PWs) bands (ev): -14.2705 -14.2705 -14.2702 -14.2702 -14.2389 -14.2389 -14.2386 -14.2386 -13.2408 -13.2408 -13.2404 -13.2404 -13.2177 -13.2177 -13.2175 -13.2175 -13.1943 -13.1943 -13.1934 -13.1934 -4.7760 -4.7760 -4.7758 -4.7758 0.1672 0.1672 0.1688 0.1688 5.4283 5.4283 5.4770 5.4770 6.3244 6.3244 6.4244 6.4244 6.9493 6.9493 7.0090 7.0090 8.6596 8.6596 8.7766 8.7766 10.2260 10.2260 10.4498 10.4498 k =-0.4730 0.2575 0.7222 ( 4120 PWs) bands (ev): -14.2705 -14.2705 -14.2702 -14.2702 -14.2388 -14.2388 -14.2387 -14.2387 -13.2408 -13.2408 -13.2404 -13.2404 -13.2177 -13.2177 -13.2175 -13.2175 -13.1942 -13.1942 -13.1935 -13.1935 -4.7800 -4.7800 -4.7798 -4.7798 0.1559 0.1559 0.1572 0.1572 5.5518 5.5518 5.6027 5.6027 6.3222 6.3222 6.4246 6.4246 6.8626 6.8626 6.9174 6.9174 8.7790 8.7790 8.8845 8.8845 10.1183 10.1183 10.3039 10.3039 k =-0.4797 0.2391 0.7222 ( 4108 PWs) bands (ev): -14.2705 -14.2705 -14.2702 -14.2702 -14.2388 -14.2388 -14.2387 -14.2387 -13.2407 -13.2407 -13.2405 -13.2405 -13.2176 -13.2176 -13.2175 -13.2175 -13.1941 -13.1941 -13.1936 -13.1936 -4.7831 -4.7831 -4.7829 -4.7829 0.1471 0.1471 0.1481 0.1481 5.6689 5.6689 5.7206 5.7206 6.3148 6.3148 6.4178 6.4178 6.7775 6.7775 6.8293 6.8293 8.9003 8.9003 8.9941 8.9941 10.0101 10.0101 10.1597 10.1597 k =-0.4865 0.2208 0.7222 ( 4096 PWs) bands (ev): -14.2704 -14.2704 -14.2703 -14.2703 -14.2388 -14.2388 -14.2387 -14.2387 -13.2407 -13.2407 -13.2405 -13.2405 -13.2176 -13.2176 -13.2175 -13.2175 -13.1940 -13.1940 -13.1937 -13.1937 -4.7853 -4.7853 -4.7852 -4.7852 0.1409 0.1409 0.1415 0.1415 5.7745 5.7745 5.8224 5.8224 6.3045 6.3045 6.3982 6.3982 6.7076 6.7076 6.7528 6.7528 9.0157 9.0157 9.0928 9.0928 9.9140 9.9140 10.0261 10.0261 k =-0.4932 0.2024 0.7222 ( 4096 PWs) bands (ev): -14.2704 -14.2704 -14.2703 -14.2703 -14.2388 -14.2388 -14.2387 -14.2387 -13.2406 -13.2406 -13.2405 -13.2405 -13.2176 -13.2176 -13.2176 -13.2176 -13.1939 -13.1939 -13.1938 -13.1938 -4.7866 -4.7866 -4.7866 -4.7866 0.1372 0.1372 0.1375 0.1375 5.8588 5.8588 5.8912 5.8912 6.3013 6.3013 6.3619 6.3619 6.6683 6.6683 6.6960 6.6960 9.1122 9.1122 9.1595 9.1595 9.8515 9.8515 9.9157 9.9157 k =-0.5000 0.1841 0.7222 ( 4100 PWs) bands (ev): -14.2703 -14.2703 -14.2703 -14.2703 -14.2388 -14.2388 -14.2388 -14.2388 -13.2406 -13.2406 -13.2406 -13.2406 -13.2176 -13.2176 -13.2176 -13.2176 -13.1939 -13.1939 -13.1939 -13.1939 -4.7870 -4.7870 -4.7870 -4.7870 0.1361 0.1361 0.1361 0.1361 5.9044 5.9044 5.9044 5.9044 6.3214 6.3214 6.3214 6.3214 6.6658 6.6658 6.6658 6.6658 9.1677 9.1677 9.1677 9.1677 9.8502 9.8502 9.8502 9.8502 k =-0.5000 0.1841 0.7222 ( 4100 PWs) bands (ev): -14.2703 -14.2703 -14.2703 -14.2703 -14.2388 -14.2388 -14.2388 -14.2388 -13.2406 -13.2406 -13.2406 -13.2406 -13.2176 -13.2176 -13.2176 -13.2176 -13.1939 -13.1939 -13.1939 -13.1939 -4.7870 -4.7870 -4.7870 -4.7870 0.1361 0.1361 0.1361 0.1361 5.9044 5.9044 5.9044 5.9044 6.3214 6.3214 6.3214 6.3214 6.6658 6.6658 6.6658 6.6658 9.1677 9.1677 9.1677 9.1677 9.8502 9.8502 9.8502 9.8502 k =-0.5000 0.1841 0.7027 ( 4096 PWs) bands (ev): -14.2704 -14.2704 -14.2703 -14.2703 -14.2390 -14.2390 -14.2385 -14.2385 -13.2406 -13.2406 -13.2405 -13.2405 -13.2180 -13.2180 -13.2172 -13.2172 -13.1942 -13.1942 -13.1936 -13.1936 -4.8065 -4.8065 -4.7688 -4.7688 0.1035 0.1035 0.1731 0.1731 5.8463 5.8463 5.9589 5.9589 6.2810 6.2810 6.3411 6.3411 6.6538 6.6538 6.7021 6.7021 9.0942 9.0942 9.2297 9.2297 9.8088 9.8088 9.8969 9.8969 k =-0.5000 0.1841 0.6831 ( 4100 PWs) bands (ev): -14.2704 -14.2704 -14.2703 -14.2703 -14.2393 -14.2393 -14.2383 -14.2383 -13.2407 -13.2407 -13.2404 -13.2404 -13.2183 -13.2183 -13.2168 -13.2168 -13.1945 -13.1945 -13.1933 -13.1933 -4.8272 -4.8272 -4.7520 -4.7520 0.0754 0.0754 0.2144 0.2144 5.7856 5.7856 6.0075 6.0075 6.2272 6.2272 6.3412 6.3412 6.6604 6.6604 6.7614 6.7614 9.0122 9.0122 9.2765 9.2765 9.7745 9.7745 9.9477 9.9477 k =-0.5000 0.1841 0.6636 ( 4108 PWs) bands (ev): -14.2704 -14.2704 -14.2703 -14.2703 -14.2396 -14.2396 -14.2380 -14.2380 -13.2408 -13.2408 -13.2404 -13.2404 -13.2186 -13.2186 -13.2164 -13.2164 -13.1949 -13.1949 -13.1930 -13.1930 -4.8489 -4.8489 -4.7366 -4.7366 0.0517 0.0517 0.2601 0.2601 5.7231 5.7231 6.0431 6.0431 6.1736 6.1736 6.3282 6.3282 6.6781 6.6781 6.8371 6.8371 8.9241 8.9241 9.3049 9.3049 9.7484 9.7484 10.0025 10.0025 k =-0.5000 0.1841 0.6441 ( 4114 PWs) bands (ev): -14.2704 -14.2704 -14.2703 -14.2703 -14.2398 -14.2398 -14.2378 -14.2378 -13.2409 -13.2409 -13.2404 -13.2404 -13.2190 -13.2190 -13.2160 -13.2160 -13.1953 -13.1953 -13.1928 -13.1928 -4.8716 -4.8716 -4.7227 -4.7227 0.0325 0.0325 0.3099 0.3099 5.6594 5.6594 6.0384 6.0384 6.1509 6.1509 6.3088 6.3088 6.7020 6.7020 6.9237 6.9237 8.8315 8.8315 9.3136 9.3136 9.7306 9.7306 10.0625 10.0625 k =-0.5000 0.1841 0.6246 ( 4130 PWs) bands (ev): -14.2704 -14.2704 -14.2702 -14.2702 -14.2401 -14.2401 -14.2376 -14.2376 -13.2409 -13.2409 -13.2403 -13.2403 -13.2193 -13.2193 -13.2155 -13.2155 -13.1957 -13.1957 -13.1925 -13.1925 -4.8952 -4.8952 -4.7103 -4.7103 0.0176 0.0176 0.3639 0.3639 5.5949 5.5949 5.9864 5.9864 6.1659 6.1659 6.2892 6.2892 6.7290 6.7290 7.0174 7.0174 8.7356 8.7356 9.3043 9.3043 9.7201 9.7201 10.1290 10.1290 k =-0.5000 0.1841 0.6051 ( 4128 PWs) bands (ev): -14.2704 -14.2704 -14.2702 -14.2702 -14.2404 -14.2404 -14.2374 -14.2374 -13.2410 -13.2410 -13.2403 -13.2403 -13.2196 -13.2196 -13.2151 -13.2151 -13.1961 -13.1961 -13.1923 -13.1923 -4.9195 -4.9195 -4.6995 -4.6995 0.0071 0.0071 0.4218 0.4218 5.5300 5.5300 5.9209 5.9209 6.1790 6.1790 6.2782 6.2782 6.7575 6.7575 7.1163 7.1163 8.6374 8.6374 9.2806 9.2806 9.7160 9.7160 10.2028 10.2028 k =-0.5000 0.1841 0.5855 ( 4120 PWs) bands (ev): -14.2704 -14.2704 -14.2702 -14.2702 -14.2407 -14.2407 -14.2372 -14.2372 -13.2411 -13.2411 -13.2403 -13.2403 -13.2199 -13.2199 -13.2146 -13.2146 -13.1965 -13.1965 -13.1922 -13.1922 -4.9445 -4.9445 -4.6902 -4.6902 0.0009 0.0009 0.4835 0.4835 5.4653 5.4653 5.8532 5.8532 6.1722 6.1722 6.2842 6.2842 6.7865 6.7865 7.2191 7.2191 8.5377 8.5377 9.2462 9.2462 9.7182 9.7182 10.2837 10.2837 k =-0.5000 0.1841 0.5660 ( 4120 PWs) bands (ev): -14.2705 -14.2705 -14.2702 -14.2702 -14.2410 -14.2410 -14.2370 -14.2370 -13.2412 -13.2412 -13.2403 -13.2403 -13.2201 -13.2201 -13.2142 -13.2142 -13.1970 -13.1970 -13.1920 -13.1920 -4.9699 -4.9699 -4.6824 -4.6824 -0.0012 -0.0012 0.5489 0.5489 5.4008 5.4008 5.7859 5.7859 6.1500 6.1500 6.3012 6.3012 6.8153 6.8153 7.3249 7.3249 8.4372 8.4372 9.2042 9.2042 9.7275 9.7275 10.3708 10.3708 k =-0.5000 0.1841 0.5465 ( 4124 PWs) bands (ev): -14.2705 -14.2705 -14.2702 -14.2702 -14.2413 -14.2413 -14.2368 -14.2368 -13.2413 -13.2413 -13.2403 -13.2403 -13.2204 -13.2204 -13.2137 -13.2137 -13.1974 -13.1974 -13.1919 -13.1919 -4.9957 -4.9957 -4.6762 -4.6762 0.0006 0.0006 0.6178 0.6178 5.3370 5.3370 5.7201 5.7201 6.1214 6.1214 6.3198 6.3198 6.8435 6.8435 7.4325 7.4325 8.3367 8.3367 9.1569 9.1569 9.7450 9.7450 10.4630 10.4630 k =-0.5000 0.1841 0.5270 ( 4120 PWs) bands (ev): -14.2705 -14.2705 -14.2701 -14.2701 -14.2416 -14.2416 -14.2366 -14.2366 -13.2414 -13.2414 -13.2403 -13.2403 -13.2206 -13.2206 -13.2132 -13.2132 -13.1979 -13.1979 -13.1918 -13.1918 -5.0217 -5.0217 -4.6714 -4.6714 0.0063 0.0063 0.6901 0.6901 5.2742 5.2742 5.6563 5.6563 6.0903 6.0903 6.3362 6.3362 6.8707 6.8707 7.5405 7.5405 8.2379 8.2379 9.1061 9.1061 9.7713 9.7713 10.5594 10.5594 k =-0.5000 0.1841 0.5075 ( 4114 PWs) bands (ev): -14.2705 -14.2705 -14.2701 -14.2701 -14.2419 -14.2419 -14.2365 -14.2365 -13.2414 -13.2414 -13.2403 -13.2403 -13.2208 -13.2208 -13.2127 -13.2127 -13.1984 -13.1984 -13.1917 -13.1917 -5.0479 -5.0479 -4.6680 -4.6680 0.0156 0.0156 0.7656 0.7656 5.2124 5.2124 5.5947 5.5947 6.0581 6.0581 6.3492 6.3492 6.8966 6.8966 7.6454 7.6454 8.1441 8.1441 9.0530 9.0530 9.8068 9.8068 10.6591 10.6591 k =-0.5000 0.1841 0.4880 ( 4126 PWs) bands (ev): -14.2705 -14.2705 -14.2701 -14.2701 -14.2422 -14.2422 -14.2363 -14.2363 -13.2415 -13.2415 -13.2404 -13.2404 -13.2210 -13.2210 -13.2122 -13.2122 -13.1989 -13.1989 -13.1916 -13.1916 -5.0740 -5.0740 -4.6660 -4.6660 0.0282 0.0282 0.8440 0.8440 5.1519 5.1519 5.5355 5.5355 6.0257 6.0257 6.3582 6.3582 6.9211 6.9211 7.7361 7.7361 8.0662 8.0662 8.9988 8.9988 9.8516 9.8516 10.7614 10.7614 k =-0.5000 0.1841 0.4684 ( 4126 PWs) bands (ev): -14.2705 -14.2705 -14.2701 -14.2701 -14.2425 -14.2425 -14.2362 -14.2362 -13.2416 -13.2416 -13.2404 -13.2404 -13.2212 -13.2212 -13.2117 -13.2117 -13.1994 -13.1994 -13.1915 -13.1915 -5.1000 -5.1000 -4.6652 -4.6652 0.0440 0.0440 0.9252 0.9252 5.0930 5.0930 5.4789 5.4789 5.9933 5.9933 6.3634 6.3634 6.9439 6.9439 7.7757 7.7757 8.0410 8.0410 8.9447 8.9447 9.9054 9.9054 10.8657 10.8657 k =-0.5000 0.1841 0.4489 ( 4122 PWs) bands (ev): -14.2705 -14.2705 -14.2701 -14.2701 -14.2428 -14.2428 -14.2360 -14.2360 -13.2417 -13.2417 -13.2404 -13.2404 -13.2213 -13.2213 -13.2112 -13.2112 -13.1999 -13.1999 -13.1915 -13.1915 -5.1258 -5.1258 -4.6656 -4.6656 0.0628 0.0628 1.0089 1.0089 5.0356 5.0356 5.4250 5.4250 5.9612 5.9612 6.3649 6.3649 6.9648 6.9648 7.7325 7.7325 8.0998 8.0998 8.8916 8.8916 9.9678 9.9678 10.9713 10.9713 k =-0.5000 0.1841 0.4294 ( 4122 PWs) bands (ev): -14.2705 -14.2705 -14.2700 -14.2700 -14.2431 -14.2431 -14.2359 -14.2359 -13.2418 -13.2418 -13.2405 -13.2405 -13.2215 -13.2215 -13.2107 -13.2107 -13.2004 -13.2004 -13.1915 -13.1915 -5.1512 -5.1512 -4.6670 -4.6670 0.0841 0.0841 1.0950 1.0950 4.9800 4.9800 5.3737 5.3737 5.9296 5.9296 6.3630 6.3630 6.9837 6.9837 7.6494 7.6494 8.1989 8.1989 8.8412 8.8412 10.0384 10.0384 11.0777 11.0777 k =-0.5000 0.1841 0.4099 ( 4122 PWs) bands (ev): -14.2705 -14.2705 -14.2700 -14.2700 -14.2433 -14.2433 -14.2358 -14.2358 -13.2419 -13.2419 -13.2406 -13.2406 -13.2216 -13.2216 -13.2102 -13.2102 -13.2009 -13.2009 -13.1914 -13.1914 -5.1762 -5.1762 -4.6694 -4.6694 0.1077 0.1077 1.1831 1.1831 4.9263 4.9263 5.3252 5.3252 5.8986 5.8986 6.3580 6.3580 7.0002 7.0002 7.5551 7.5551 8.3073 8.3073 8.7964 8.7964 10.1166 10.1166 11.1842 11.1842 k =-0.5000 0.1841 0.3904 ( 4122 PWs) bands (ev): -14.2706 -14.2706 -14.2700 -14.2700 -14.2436 -14.2436 -14.2357 -14.2357 -13.2419 -13.2419 -13.2406 -13.2406 -13.2217 -13.2217 -13.2097 -13.2097 -13.2014 -13.2014 -13.1915 -13.1915 -5.2007 -5.2007 -4.6726 -4.6726 0.1333 0.1333 1.2730 1.2730 4.8746 4.8746 5.2795 5.2795 5.8683 5.8683 6.3503 6.3503 7.0136 7.0136 7.4582 7.4582 8.4101 8.4101 8.7645 8.7645 10.2018 10.2018 11.2904 11.2904 k =-0.5000 0.1841 0.3708 ( 4130 PWs) bands (ev): -14.2706 -14.2706 -14.2700 -14.2700 -14.2439 -14.2439 -14.2356 -14.2356 -13.2420 -13.2420 -13.2407 -13.2407 -13.2218 -13.2218 -13.2092 -13.2092 -13.2019 -13.2019 -13.1915 -13.1915 -5.2245 -5.2245 -4.6766 -4.6766 0.1606 0.1606 1.3645 1.3645 4.8249 4.8249 5.2365 5.2365 5.8387 5.8387 6.3402 6.3402 7.0224 7.0224 7.3630 7.3630 8.4857 8.4857 8.7648 8.7648 10.2933 10.2933 11.3954 11.3954 k =-0.5000 0.1841 0.3513 ( 4130 PWs) bands (ev): -14.2706 -14.2706 -14.2700 -14.2700 -14.2442 -14.2442 -14.2355 -14.2355 -13.2421 -13.2421 -13.2408 -13.2408 -13.2219 -13.2219 -13.2087 -13.2087 -13.2024 -13.2024 -13.1915 -13.1915 -5.2476 -5.2476 -4.6811 -4.6811 0.1892 0.1892 1.4571 1.4571 4.7774 4.7774 5.1964 5.1964 5.8100 5.8100 6.3281 6.3281 7.0230 7.0230 7.2743 7.2743 8.5080 8.5080 8.8224 8.8224 10.3903 10.3903 11.4984 11.4984 k =-0.5000 0.1841 0.3318 ( 4122 PWs) bands (ev): -14.2706 -14.2706 -14.2700 -14.2700 -14.2444 -14.2444 -14.2354 -14.2354 -13.2422 -13.2422 -13.2409 -13.2409 -13.2220 -13.2220 -13.2082 -13.2082 -13.2029 -13.2029 -13.1916 -13.1916 -5.2699 -5.2699 -4.6862 -4.6862 0.2188 0.2188 1.5506 1.5506 4.7321 4.7321 5.1591 5.1591 5.7821 5.7821 6.3144 6.3144 7.0058 7.0058 7.2025 7.2025 8.4894 8.4894 8.9246 8.9246 10.4923 10.4923 11.5983 11.5983 k =-0.5000 0.1841 0.3123 ( 4122 PWs) bands (ev): -14.2706 -14.2706 -14.2700 -14.2700 -14.2447 -14.2447 -14.2353 -14.2353 -13.2423 -13.2423 -13.2409 -13.2409 -13.2220 -13.2220 -13.2078 -13.2078 -13.2033 -13.2033 -13.1916 -13.1916 -5.2913 -5.2913 -4.6916 -4.6916 0.2491 0.2491 1.6446 1.6446 4.6890 4.6890 5.1246 5.1246 5.7550 5.7550 6.2994 6.2994 6.9582 6.9582 7.1609 7.1609 8.4548 8.4548 9.0461 9.0461 10.5983 10.5983 11.6937 11.6937 k =-0.5000 0.1841 0.2928 ( 4126 PWs) bands (ev): -14.2706 -14.2706 -14.2699 -14.2699 -14.2449 -14.2449 -14.2353 -14.2353 -13.2423 -13.2423 -13.2410 -13.2410 -13.2221 -13.2221 -13.2073 -13.2073 -13.2037 -13.2037 -13.1917 -13.1917 -5.3117 -5.3117 -4.6973 -4.6973 0.2798 0.2798 1.7387 1.7387 4.6484 4.6484 5.0928 5.0928 5.7288 5.7288 6.2833 6.2833 6.8842 6.8842 7.1460 7.1460 8.4151 8.4151 9.1758 9.1758 10.7077 10.7077 11.7822 11.7822 k =-0.5000 0.1841 0.2733 ( 4120 PWs) bands (ev): -14.2706 -14.2706 -14.2699 -14.2699 -14.2451 -14.2451 -14.2352 -14.2352 -13.2424 -13.2424 -13.2411 -13.2411 -13.2221 -13.2221 -13.2070 -13.2070 -13.2041 -13.2041 -13.1918 -13.1918 -5.3311 -5.3311 -4.7032 -4.7032 0.3103 0.3103 1.8324 1.8324 4.6101 4.6101 5.0637 5.0637 5.7035 5.7035 6.2664 6.2664 6.7988 6.7988 7.1437 7.1437 8.3742 8.3742 9.3097 9.3097 10.8196 10.8196 11.8596 11.8596 k =-0.5000 0.1841 0.2537 ( 4128 PWs) bands (ev): -14.2706 -14.2706 -14.2699 -14.2699 -14.2453 -14.2453 -14.2351 -14.2351 -13.2425 -13.2425 -13.2412 -13.2412 -13.2221 -13.2221 -13.2067 -13.2067 -13.2044 -13.2044 -13.1919 -13.1919 -5.3494 -5.3494 -4.7091 -4.7091 0.3406 0.3406 1.9253 1.9253 4.5743 4.5743 5.0373 5.0373 5.6790 5.6790 6.2486 6.2486 6.7107 6.7107 7.1459 7.1459 8.3338 8.3338 9.4459 9.4459 10.9332 10.9332 11.9180 11.9180 k =-0.5000 0.1841 0.2342 ( 4132 PWs) bands (ev): -14.2706 -14.2706 -14.2699 -14.2699 -14.2455 -14.2455 -14.2351 -14.2351 -13.2425 -13.2425 -13.2413 -13.2413 -13.2221 -13.2221 -13.2065 -13.2065 -13.2046 -13.2046 -13.1919 -13.1919 -5.3666 -5.3666 -4.7150 -4.7150 0.3701 0.3701 2.0167 2.0167 4.5410 4.5410 5.0135 5.0135 5.6553 5.6553 6.2301 6.2301 6.6238 6.6238 7.1498 7.1498 8.2946 8.2946 9.5835 9.5835 11.0474 11.0474 11.9457 11.9457 k =-0.5000 0.1841 0.2147 ( 4128 PWs) bands (ev): -14.2706 -14.2706 -14.2699 -14.2699 -14.2457 -14.2457 -14.2350 -14.2350 -13.2426 -13.2426 -13.2414 -13.2414 -13.2221 -13.2221 -13.2065 -13.2065 -13.2045 -13.2045 -13.1920 -13.1920 -5.3826 -5.3826 -4.7207 -4.7207 0.3986 0.3986 2.1060 2.1060 4.5102 4.5102 4.9921 4.9921 5.6323 5.6323 6.2105 6.2105 6.5406 6.5406 7.1541 7.1541 8.2573 8.2573 9.7216 9.7216 11.1612 11.1612 11.9376 11.9376 k =-0.5000 0.1841 0.1952 ( 4132 PWs) bands (ev): -14.2706 -14.2706 -14.2699 -14.2699 -14.2459 -14.2459 -14.2350 -14.2350 -13.2427 -13.2427 -13.2414 -13.2414 -13.2221 -13.2221 -13.2067 -13.2067 -13.2044 -13.2044 -13.1921 -13.1921 -5.3974 -5.3974 -4.7263 -4.7263 0.4258 0.4258 2.1925 2.1925 4.4820 4.4820 4.9732 4.9732 5.6100 5.6100 6.1892 6.1892 6.4632 6.4632 7.1583 7.1583 8.2221 8.2221 9.8597 9.8597 11.2733 11.2733 11.9042 11.9042 k =-0.5000 0.1841 0.1757 ( 4132 PWs) bands (ev): -14.2706 -14.2706 -14.2699 -14.2699 -14.2461 -14.2461 -14.2350 -14.2350 -13.2427 -13.2427 -13.2415 -13.2415 -13.2221 -13.2221 -13.2069 -13.2069 -13.2041 -13.2041 -13.1923 -13.1923 -5.4109 -5.4109 -4.7315 -4.7315 0.4514 0.4514 2.2755 2.2755 4.4564 4.4564 4.9565 4.9565 5.5883 5.5883 6.1653 6.1653 6.3939 6.3939 7.1622 7.1622 8.1894 8.1894 9.9971 9.9971 11.3823 11.3823 11.8583 11.8583 k =-0.5000 0.1841 0.1561 ( 4140 PWs) bands (ev): -14.2706 -14.2706 -14.2699 -14.2699 -14.2462 -14.2462 -14.2349 -14.2349 -13.2428 -13.2428 -13.2416 -13.2416 -13.2220 -13.2220 -13.2072 -13.2072 -13.2038 -13.2038 -13.1924 -13.1924 -5.4230 -5.4230 -4.7364 -4.7364 0.4751 0.4751 2.3539 2.3539 4.4334 4.4334 4.9420 4.9420 5.5671 5.5671 6.1375 6.1375 6.3352 6.3352 7.1657 7.1657 8.1594 8.1594 10.1331 10.1331 11.4863 11.4863 11.8084 11.8084 k =-0.5000 0.1841 0.1366 ( 4142 PWs) bands (ev): -14.2706 -14.2706 -14.2699 -14.2699 -14.2463 -14.2463 -14.2349 -14.2349 -13.2428 -13.2428 -13.2416 -13.2416 -13.2220 -13.2220 -13.2074 -13.2074 -13.2036 -13.2036 -13.1925 -13.1925 -5.4338 -5.4338 -4.7408 -4.7408 0.4966 0.4966 2.4269 2.4269 4.4131 4.4131 4.9296 4.9296 5.5467 5.5467 6.1049 6.1049 6.2890 6.2890 7.1687 7.1687 8.1324 8.1324 10.2668 10.2668 11.5827 11.5827 11.7592 11.7592 k =-0.5000 0.1841 0.1171 ( 4142 PWs) bands (ev): -14.2706 -14.2706 -14.2699 -14.2699 -14.2465 -14.2465 -14.2349 -14.2349 -13.2428 -13.2428 -13.2417 -13.2417 -13.2220 -13.2220 -13.2076 -13.2076 -13.2033 -13.2033 -13.1925 -13.1925 -5.4432 -5.4432 -4.7448 -4.7448 0.5157 0.5157 2.4934 2.4934 4.3954 4.3954 4.9191 4.9191 5.5270 5.5270 6.0690 6.0690 6.2551 6.2551 7.1713 7.1713 8.1085 8.1085 10.3973 10.3973 11.6664 11.6664 11.7148 11.7148 k =-0.5000 0.1841 0.0976 ( 4144 PWs) bands (ev): -14.2707 -14.2707 -14.2699 -14.2699 -14.2466 -14.2466 -14.2349 -14.2349 -13.2429 -13.2429 -13.2417 -13.2417 -13.2220 -13.2220 -13.2078 -13.2078 -13.2031 -13.2031 -13.1926 -13.1926 -5.4513 -5.4513 -4.7483 -4.7483 0.5323 0.5323 2.5522 2.5522 4.3805 4.3805 4.9105 4.9105 5.5085 5.5085 6.0329 6.0329 6.2311 6.2311 7.1735 7.1735 8.0879 8.0879 10.5228 10.5228 11.6700 11.6700 11.7358 11.7358 k =-0.5000 0.1841 0.0781 ( 4142 PWs) bands (ev): -14.2707 -14.2707 -14.2699 -14.2699 -14.2466 -14.2466 -14.2349 -14.2349 -13.2429 -13.2429 -13.2417 -13.2417 -13.2220 -13.2220 -13.2080 -13.2080 -13.2029 -13.2029 -13.1927 -13.1927 -5.4578 -5.4578 -4.7512 -4.7512 0.5461 0.5461 2.6024 2.6024 4.3682 4.3682 4.9036 4.9036 5.4918 5.4918 6.0000 6.0000 6.2142 6.2142 7.1752 7.1752 8.0708 8.0708 10.6411 10.6411 11.6362 11.6362 11.7605 11.7605 k =-0.5000 0.1841 0.0586 ( 4142 PWs) bands (ev): -14.2707 -14.2707 -14.2699 -14.2699 -14.2467 -14.2467 -14.2348 -14.2348 -13.2429 -13.2429 -13.2418 -13.2418 -13.2219 -13.2219 -13.2082 -13.2082 -13.2027 -13.2027 -13.1928 -13.1928 -5.4630 -5.4630 -4.7534 -4.7534 0.5570 0.5570 2.6428 2.6428 4.3587 4.3587 4.8984 4.8984 5.4775 5.4775 5.9729 5.9729 6.2026 6.2026 7.1765 7.1765 8.0573 8.0573 10.7485 10.7485 11.6089 11.6089 11.7321 11.7321 k =-0.5000 0.1841 0.0390 ( 4140 PWs) bands (ev): -14.2707 -14.2707 -14.2699 -14.2699 -14.2467 -14.2467 -14.2348 -14.2348 -13.2430 -13.2430 -13.2418 -13.2418 -13.2219 -13.2219 -13.2083 -13.2083 -13.2026 -13.2026 -13.1928 -13.1928 -5.4667 -5.4667 -4.7551 -4.7551 0.5649 0.5649 2.6724 2.6724 4.3519 4.3519 4.8947 4.8947 5.4665 5.4665 5.9528 5.9528 6.1949 6.1949 7.1774 7.1774 8.0476 8.0476 10.8386 10.8386 11.5889 11.5889 11.6806 11.6806 k =-0.5000 0.1841 0.0195 ( 4140 PWs) bands (ev): -14.2707 -14.2707 -14.2699 -14.2699 -14.2468 -14.2468 -14.2348 -14.2348 -13.2430 -13.2430 -13.2418 -13.2418 -13.2219 -13.2219 -13.2083 -13.2083 -13.2026 -13.2026 -13.1928 -13.1928 -5.4689 -5.4689 -4.7561 -4.7561 0.5696 0.5696 2.6905 2.6905 4.3478 4.3478 4.8925 4.8925 5.4595 5.4595 5.9406 5.9406 6.1905 6.1905 7.1779 7.1779 8.0418 8.0418 10.9014 10.9014 11.5769 11.5769 11.6368 11.6368 k =-0.5000 0.1841-0.0000 ( 4132 PWs) bands (ev): -14.2707 -14.2707 -14.2699 -14.2699 -14.2468 -14.2468 -14.2348 -14.2348 -13.2430 -13.2430 -13.2418 -13.2418 -13.2219 -13.2219 -13.2083 -13.2083 -13.2025 -13.2025 -13.1928 -13.1928 -5.4696 -5.4696 -4.7564 -4.7564 0.5712 0.5712 2.6966 2.6966 4.3464 4.3464 4.8918 4.8918 5.4571 5.4571 5.9365 5.9365 6.1890 6.1890 7.1781 7.1781 8.0398 8.0398 10.9244 10.9244 11.5729 11.5729 11.6196 11.6196 k = 0.0000 0.0000 0.7222 ( 4106 PWs) bands (ev): -14.2697 -14.2697 -14.2697 -14.2697 -14.2398 -14.2398 -14.2398 -14.2398 -13.2412 -13.2412 -13.2412 -13.2412 -13.2138 -13.2138 -13.2138 -13.2138 -13.1977 -13.1977 -13.1977 -13.1977 -4.8416 -4.8416 -4.8416 -4.8416 0.7356 0.7356 0.7356 0.7356 4.2932 4.2932 4.2932 4.2932 6.1118 6.1118 6.1118 6.1118 7.4121 7.4121 7.4121 7.4121 8.5665 8.5665 8.5665 8.5665 9.2820 9.2820 9.2820 9.2820 k =-0.0185 0.0068 0.7222 ( 4116 PWs) bands (ev): -14.2697 -14.2697 -14.2697 -14.2697 -14.2398 -14.2398 -14.2398 -14.2398 -13.2412 -13.2412 -13.2412 -13.2412 -13.2138 -13.2138 -13.2138 -13.2138 -13.1977 -13.1977 -13.1977 -13.1977 -4.8414 -4.8414 -4.8414 -4.8414 0.7331 0.7331 0.7331 0.7331 4.2985 4.2985 4.2985 4.2985 6.1112 6.1112 6.1112 6.1112 7.4093 7.4093 7.4093 7.4093 8.5704 8.5704 8.5704 8.5704 9.2840 9.2840 9.2840 9.2840 k =-0.0370 0.0136 0.7222 ( 4130 PWs) bands (ev): -14.2697 -14.2697 -14.2697 -14.2697 -14.2398 -14.2398 -14.2398 -14.2398 -13.2412 -13.2412 -13.2412 -13.2412 -13.2139 -13.2139 -13.2139 -13.2139 -13.1977 -13.1977 -13.1977 -13.1977 -4.8409 -4.8409 -4.8409 -4.8409 0.7255 0.7255 0.7255 0.7255 4.3146 4.3146 4.3146 4.3146 6.1093 6.1093 6.1093 6.1093 7.4009 7.4009 7.4009 7.4009 8.5822 8.5822 8.5822 8.5822 9.2901 9.2901 9.2901 9.2901 k =-0.0556 0.0205 0.7222 ( 4118 PWs) bands (ev): -14.2697 -14.2697 -14.2697 -14.2697 -14.2397 -14.2397 -14.2397 -14.2397 -13.2412 -13.2412 -13.2412 -13.2412 -13.2139 -13.2139 -13.2139 -13.2139 -13.1976 -13.1976 -13.1976 -13.1976 -4.8400 -4.8400 -4.8400 -4.8400 0.7130 0.7130 0.7130 0.7130 4.3410 4.3410 4.3410 4.3410 6.1062 6.1062 6.1062 6.1062 7.3875 7.3875 7.3875 7.3875 8.6012 8.6012 8.6012 8.6012 9.3001 9.3001 9.3001 9.3001 k =-0.0741 0.0273 0.7222 ( 4118 PWs) bands (ev): -14.2697 -14.2697 -14.2697 -14.2697 -14.2397 -14.2397 -14.2397 -14.2397 -13.2412 -13.2412 -13.2412 -13.2412 -13.2140 -13.2140 -13.2140 -13.2140 -13.1975 -13.1975 -13.1975 -13.1975 -4.8388 -4.8388 -4.8388 -4.8388 0.6961 0.6961 0.6961 0.6961 4.3775 4.3775 4.3775 4.3775 6.1019 6.1019 6.1019 6.1019 7.3694 7.3694 7.3694 7.3694 8.6269 8.6269 8.6269 8.6269 9.3139 9.3139 9.3139 9.3139 k =-0.0926 0.0341 0.7222 ( 4118 PWs) bands (ev): -14.2697 -14.2697 -14.2697 -14.2697 -14.2397 -14.2397 -14.2397 -14.2397 -13.2412 -13.2412 -13.2412 -13.2412 -13.2142 -13.2142 -13.2142 -13.2142 -13.1973 -13.1973 -13.1973 -13.1973 -4.8373 -4.8373 -4.8373 -4.8373 0.6750 0.6750 0.6750 0.6750 4.4236 4.4236 4.4236 4.4236 6.0966 6.0966 6.0966 6.0966 7.3476 7.3476 7.3476 7.3476 8.6583 8.6583 8.6583 8.6583 9.3314 9.3314 9.3314 9.3314 k =-0.1111 0.0409 0.7222 ( 4114 PWs) bands (ev): -14.2697 -14.2697 -14.2697 -14.2697 -14.2396 -14.2396 -14.2396 -14.2396 -13.2412 -13.2412 -13.2412 -13.2412 -13.2143 -13.2143 -13.2143 -13.2143 -13.1972 -13.1972 -13.1972 -13.1972 -4.8354 -4.8354 -4.8354 -4.8354 0.6502 0.6502 0.6502 0.6502 4.4787 4.4787 4.4787 4.4787 6.0903 6.0903 6.0903 6.0903 7.3225 7.3225 7.3225 7.3225 8.6947 8.6947 8.6947 8.6947 9.3523 9.3523 9.3523 9.3523 k =-0.1296 0.0477 0.7222 ( 4118 PWs) bands (ev): -14.2698 -14.2698 -14.2698 -14.2698 -14.2396 -14.2396 -14.2396 -14.2396 -13.2411 -13.2411 -13.2411 -13.2411 -13.2145 -13.2145 -13.2145 -13.2145 -13.1970 -13.1970 -13.1970 -13.1970 -4.8333 -4.8333 -4.8333 -4.8333 0.6224 0.6224 0.6224 0.6224 4.5423 4.5423 4.5423 4.5423 6.0832 6.0832 6.0832 6.0832 7.2950 7.2950 7.2950 7.2950 8.7350 8.7350 8.7350 8.7350 9.3764 9.3764 9.3764 9.3764 k =-0.1481 0.0546 0.7222 ( 4130 PWs) bands (ev): -14.2698 -14.2698 -14.2698 -14.2698 -14.2396 -14.2396 -14.2396 -14.2396 -13.2411 -13.2411 -13.2411 -13.2411 -13.2147 -13.2147 -13.2147 -13.2147 -13.1968 -13.1968 -13.1968 -13.1968 -4.8309 -4.8309 -4.8309 -4.8309 0.5920 0.5920 0.5920 0.5920 4.6135 4.6135 4.6135 4.6135 6.0753 6.0753 6.0753 6.0753 7.2657 7.2657 7.2657 7.2657 8.7783 8.7783 8.7783 8.7783 9.4034 9.4034 9.4034 9.4034 k =-0.1667 0.0614 0.7222 ( 4130 PWs) bands (ev): -14.2698 -14.2698 -14.2698 -14.2698 -14.2395 -14.2395 -14.2395 -14.2395 -13.2411 -13.2411 -13.2411 -13.2411 -13.2149 -13.2149 -13.2149 -13.2149 -13.1966 -13.1966 -13.1966 -13.1966 -4.8283 -4.8283 -4.8283 -4.8283 0.5597 0.5597 0.5597 0.5597 4.6917 4.6917 4.6917 4.6917 6.0668 6.0668 6.0668 6.0668 7.2350 7.2350 7.2350 7.2350 8.8237 8.8237 8.8237 8.8237 9.4329 9.4329 9.4329 9.4329 k =-0.1852 0.0682 0.7222 ( 4120 PWs) bands (ev): -14.2699 -14.2699 -14.2699 -14.2699 -14.2395 -14.2395 -14.2395 -14.2395 -13.2410 -13.2410 -13.2410 -13.2410 -13.2151 -13.2151 -13.2151 -13.2151 -13.1964 -13.1964 -13.1964 -13.1964 -4.8255 -4.8255 -4.8255 -4.8255 0.5260 0.5260 0.5260 0.5260 4.7762 4.7762 4.7762 4.7762 6.0580 6.0580 6.0580 6.0580 7.2034 7.2034 7.2034 7.2034 8.8703 8.8703 8.8703 8.8703 9.4645 9.4645 9.4645 9.4645 k =-0.2037 0.0750 0.7222 ( 4124 PWs) bands (ev): -14.2699 -14.2699 -14.2699 -14.2699 -14.2394 -14.2394 -14.2394 -14.2394 -13.2410 -13.2410 -13.2410 -13.2410 -13.2153 -13.2153 -13.2153 -13.2153 -13.1962 -13.1962 -13.1962 -13.1962 -4.8226 -4.8226 -4.8226 -4.8226 0.4914 0.4914 0.4914 0.4914 4.8661 4.8661 4.8661 4.8661 6.0489 6.0489 6.0489 6.0489 7.1713 7.1713 7.1713 7.1713 8.9173 8.9173 8.9173 8.9173 9.4977 9.4977 9.4977 9.4977 k =-0.2222 0.0818 0.7222 ( 4120 PWs) bands (ev): -14.2700 -14.2700 -14.2700 -14.2700 -14.2393 -14.2393 -14.2393 -14.2393 -13.2410 -13.2410 -13.2410 -13.2410 -13.2155 -13.2155 -13.2155 -13.2155 -13.1960 -13.1960 -13.1960 -13.1960 -4.8195 -4.8195 -4.8195 -4.8195 0.4565 0.4565 0.4565 0.4565 4.9606 4.9606 4.9606 4.9606 6.0397 6.0397 6.0397 6.0397 7.1390 7.1390 7.1390 7.1390 8.9637 8.9637 8.9637 8.9637 9.5321 9.5321 9.5321 9.5321 k =-0.2407 0.0886 0.7222 ( 4118 PWs) bands (ev): -14.2700 -14.2700 -14.2700 -14.2700 -14.2393 -14.2393 -14.2393 -14.2393 -13.2409 -13.2409 -13.2409 -13.2409 -13.2157 -13.2157 -13.2157 -13.2157 -13.1957 -13.1957 -13.1957 -13.1957 -4.8164 -4.8164 -4.8164 -4.8164 0.4218 0.4218 0.4218 0.4218 5.0590 5.0590 5.0590 5.0590 6.0306 6.0306 6.0306 6.0306 7.1066 7.1066 7.1066 7.1066 9.0086 9.0086 9.0086 9.0086 9.5671 9.5671 9.5671 9.5671 k =-0.2593 0.0955 0.7222 ( 4110 PWs) bands (ev): -14.2700 -14.2700 -14.2700 -14.2700 -14.2392 -14.2392 -14.2392 -14.2392 -13.2409 -13.2409 -13.2409 -13.2409 -13.2160 -13.2160 -13.2160 -13.2160 -13.1955 -13.1955 -13.1955 -13.1955 -4.8132 -4.8132 -4.8132 -4.8132 0.3876 0.3876 0.3876 0.3876 5.1603 5.1603 5.1603 5.1603 6.0219 6.0219 6.0219 6.0219 7.0742 7.0742 7.0742 7.0742 9.0512 9.0512 9.0512 9.0512 9.6021 9.6021 9.6021 9.6021 k =-0.2778 0.1023 0.7222 ( 4112 PWs) bands (ev): -14.2701 -14.2701 -14.2701 -14.2701 -14.2392 -14.2392 -14.2392 -14.2392 -13.2408 -13.2408 -13.2408 -13.2408 -13.2162 -13.2162 -13.2162 -13.2162 -13.1953 -13.1953 -13.1953 -13.1953 -4.8100 -4.8100 -4.8100 -4.8100 0.3545 0.3545 0.3545 0.3545 5.2637 5.2637 5.2637 5.2637 6.0138 6.0138 6.0138 6.0138 7.0418 7.0418 7.0418 7.0418 9.0904 9.0904 9.0904 9.0904 9.6365 9.6365 9.6365 9.6365 k =-0.2963 0.1091 0.7222 ( 4122 PWs) bands (ev): -14.2701 -14.2701 -14.2701 -14.2701 -14.2391 -14.2391 -14.2391 -14.2391 -13.2408 -13.2408 -13.2408 -13.2408 -13.2164 -13.2164 -13.2164 -13.2164 -13.1951 -13.1951 -13.1951 -13.1951 -4.8069 -4.8069 -4.8069 -4.8069 0.3227 0.3227 0.3227 0.3227 5.3679 5.3679 5.3679 5.3679 6.0067 6.0067 6.0067 6.0067 7.0095 7.0095 7.0095 7.0095 9.1253 9.1253 9.1253 9.1253 9.6696 9.6696 9.6696 9.6696 k =-0.3148 0.1159 0.7222 ( 4122 PWs) bands (ev): -14.2701 -14.2701 -14.2701 -14.2701 -14.2391 -14.2391 -14.2391 -14.2391 -13.2408 -13.2408 -13.2408 -13.2408 -13.2166 -13.2166 -13.2166 -13.2166 -13.1949 -13.1949 -13.1949 -13.1949 -4.8039 -4.8039 -4.8039 -4.8039 0.2926 0.2926 0.2926 0.2926 5.4718 5.4718 5.4718 5.4718 6.0010 6.0010 6.0010 6.0010 6.9771 6.9771 6.9771 6.9771 9.1548 9.1548 9.1548 9.1548 9.7009 9.7009 9.7009 9.7009 k =-0.3333 0.1227 0.7222 ( 4122 PWs) bands (ev): -14.2702 -14.2702 -14.2702 -14.2702 -14.2390 -14.2390 -14.2390 -14.2390 -13.2407 -13.2407 -13.2407 -13.2407 -13.2167 -13.2167 -13.2167 -13.2167 -13.1947 -13.1947 -13.1947 -13.1947 -4.8010 -4.8010 -4.8010 -4.8010 0.2646 0.2646 0.2646 0.2646 5.5737 5.5737 5.5737 5.5737 5.9977 5.9977 5.9977 5.9977 6.9445 6.9445 6.9445 6.9445 9.1781 9.1781 9.1781 9.1781 9.7297 9.7297 9.7297 9.7297 k =-0.3519 0.1296 0.7222 ( 4124 PWs) bands (ev): -14.2702 -14.2702 -14.2702 -14.2702 -14.2390 -14.2390 -14.2390 -14.2390 -13.2407 -13.2407 -13.2407 -13.2407 -13.2169 -13.2169 -13.2169 -13.2169 -13.1945 -13.1945 -13.1945 -13.1945 -4.7983 -4.7983 -4.7983 -4.7983 0.2388 0.2388 0.2388 0.2388 5.6707 5.6707 5.6707 5.6707 5.9986 5.9986 5.9986 5.9986 6.9115 6.9115 6.9115 6.9115 9.1944 9.1944 9.1944 9.1944 9.7556 9.7556 9.7556 9.7556 k =-0.3704 0.1364 0.7222 ( 4120 PWs) bands (ev): -14.2702 -14.2702 -14.2702 -14.2702 -14.2389 -14.2389 -14.2389 -14.2389 -13.2407 -13.2407 -13.2407 -13.2407 -13.2171 -13.2171 -13.2171 -13.2171 -13.1944 -13.1944 -13.1944 -13.1944 -4.7958 -4.7958 -4.7958 -4.7958 0.2155 0.2155 0.2155 0.2155 5.7582 5.7582 5.7582 5.7582 6.0073 6.0073 6.0073 6.0073 6.8778 6.8778 6.8778 6.8778 9.2035 9.2035 9.2035 9.2035 9.7783 9.7783 9.7783 9.7783 k =-0.3889 0.1432 0.7222 ( 4112 PWs) bands (ev): -14.2703 -14.2703 -14.2703 -14.2703 -14.2389 -14.2389 -14.2389 -14.2389 -13.2406 -13.2406 -13.2406 -13.2406 -13.2172 -13.2172 -13.2172 -13.2172 -13.1942 -13.1942 -13.1942 -13.1942 -4.7936 -4.7936 -4.7936 -4.7936 0.1949 0.1949 0.1949 0.1949 5.8274 5.8274 5.8274 5.8274 6.0314 6.0314 6.0314 6.0314 6.8431 6.8431 6.8431 6.8431 9.2058 9.2058 9.2058 9.2058 9.7977 9.7977 9.7977 9.7977 k =-0.4074 0.1500 0.7222 ( 4116 PWs) bands (ev): -14.2703 -14.2703 -14.2703 -14.2703 -14.2388 -14.2388 -14.2388 -14.2388 -13.2406 -13.2406 -13.2406 -13.2406 -13.2173 -13.2173 -13.2173 -13.2173 -13.1941 -13.1941 -13.1941 -13.1941 -4.7917 -4.7917 -4.7917 -4.7917 0.1772 0.1772 0.1773 0.1773 5.8699 5.8699 5.8699 5.8699 6.0778 6.0778 6.0778 6.0778 6.8075 6.8075 6.8075 6.8075 9.2022 9.2022 9.2022 9.2022 9.8139 9.8139 9.8139 9.8139 k =-0.4259 0.1568 0.7222 ( 4112 PWs) bands (ev): -14.2703 -14.2703 -14.2703 -14.2703 -14.2388 -14.2388 -14.2388 -14.2388 -13.2406 -13.2406 -13.2406 -13.2406 -13.2174 -13.2174 -13.2174 -13.2174 -13.1940 -13.1940 -13.1940 -13.1940 -4.7900 -4.7900 -4.7900 -4.7900 0.1626 0.1626 0.1626 0.1626 5.8901 5.8901 5.8901 5.8901 6.1405 6.1405 6.1405 6.1405 6.7710 6.7710 6.7710 6.7710 9.1945 9.1945 9.1945 9.1945 9.8271 9.8271 9.8271 9.8271 k =-0.4444 0.1637 0.7222 ( 4112 PWs) bands (ev): -14.2703 -14.2703 -14.2703 -14.2703 -14.2388 -14.2388 -14.2388 -14.2388 -13.2406 -13.2406 -13.2406 -13.2406 -13.2175 -13.2175 -13.2175 -13.2175 -13.1940 -13.1940 -13.1940 -13.1940 -4.7887 -4.7887 -4.7887 -4.7887 0.1511 0.1511 0.1511 0.1511 5.8988 5.8988 5.8988 5.8988 6.2062 6.2062 6.2062 6.2062 6.7348 6.7348 6.7348 6.7348 9.1851 9.1851 9.1851 9.1851 9.8372 9.8372 9.8372 9.8372 k =-0.4630 0.1705 0.7222 ( 4100 PWs) bands (ev): -14.2703 -14.2703 -14.2703 -14.2703 -14.2388 -14.2388 -14.2388 -14.2388 -13.2406 -13.2406 -13.2406 -13.2406 -13.2175 -13.2175 -13.2175 -13.2175 -13.1939 -13.1939 -13.1939 -13.1939 -4.7878 -4.7878 -4.7878 -4.7878 0.1428 0.1428 0.1428 0.1428 5.9025 5.9025 5.9025 5.9025 6.2643 6.2643 6.2643 6.2643 6.7013 6.7013 6.7013 6.7013 9.1762 9.1762 9.1762 9.1762 9.8444 9.8444 9.8444 9.8444 k =-0.4815 0.1773 0.7222 ( 4100 PWs) bands (ev): -14.2703 -14.2703 -14.2703 -14.2703 -14.2388 -14.2388 -14.2388 -14.2388 -13.2406 -13.2406 -13.2406 -13.2406 -13.2176 -13.2176 -13.2176 -13.2176 -13.1939 -13.1939 -13.1939 -13.1939 -4.7872 -4.7872 -4.7872 -4.7872 0.1378 0.1378 0.1378 0.1378 5.9040 5.9040 5.9040 5.9040 6.3059 6.3059 6.3059 6.3059 6.6758 6.6758 6.6758 6.6758 9.1699 9.1699 9.1699 9.1699 9.8488 9.8488 9.8488 9.8488 k =-0.5000 0.1841 0.7222 ( 4100 PWs) bands (ev): -14.2703 -14.2703 -14.2703 -14.2703 -14.2388 -14.2388 -14.2388 -14.2388 -13.2406 -13.2406 -13.2406 -13.2406 -13.2176 -13.2176 -13.2176 -13.2176 -13.1939 -13.1939 -13.1939 -13.1939 -4.7870 -4.7870 -4.7870 -4.7870 0.1361 0.1361 0.1361 0.1361 5.9044 5.9044 5.9044 5.9044 6.3214 6.3214 6.3214 6.3214 6.6658 6.6658 6.6658 6.6658 9.1677 9.1677 9.1677 9.1677 9.8502 9.8502 9.8502 9.8502 Writing output data file SnSe.save init_run : 1.94s CPU 13.01s WALL ( 1 calls) electrons : 511.70s CPU 518.36s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.24s CPU 1.46s WALL ( 1 calls) Called by electrons: c_bands : 511.68s CPU 518.13s WALL ( 1 calls) v_of_rho : 0.04s CPU 0.91s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.56s WALL ( 1 calls) newd : 0.18s CPU 0.47s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.01s CPU 0.07s WALL ( 392 calls) cegterg : 459.68s CPU 462.68s WALL ( 696 calls) Called by sum_band: Called by *egterg: h_psi : 225.93s CPU 231.88s WALL ( 11283 calls) s_psi : 16.84s CPU 17.53s WALL ( 11283 calls) g_psi : 0.61s CPU 0.61s WALL ( 10195 calls) cdiaghg : 152.23s CPU 150.20s WALL ( 10587 calls) cegterg:over : 42.42s CPU 39.40s WALL ( 10195 calls) cegterg:upda : 8.63s CPU 11.68s WALL ( 10195 calls) cegterg:last : 8.13s CPU 8.85s WALL ( 1872 calls) Called by h_psi: h_psi:vloc : 190.06s CPU 195.12s WALL ( 11283 calls) h_psi:vnl : 35.54s CPU 35.93s WALL ( 11283 calls) add_vuspsi : 10.28s CPU 13.64s WALL ( 11283 calls) General routines calbec : 25.23s CPU 22.22s WALL ( 11283 calls) fft : 0.32s CPU 1.17s WALL ( 19 calls) ffts : 0.01s CPU 0.06s WALL ( 4 calls) fftw : 181.73s CPU 185.26s WALL ( 1077012 calls) interpolate : 0.04s CPU 0.13s WALL ( 4 calls) davcio : 0.04s CPU 3.43s WALL ( 784 calls) Parallel routines fft_scatter : 104.70s CPU 107.29s WALL ( 1077035 calls) PWSCF : 9m40.67s CPU 11m46.19s WALL This run was terminated on: 4:24:43 21Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=