Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 9: 7:35 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 72 processors R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Sb2Te4Pb.save/ file Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 5D renormalized file Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 58 44 13 1358 921 144 Max 59 45 14 1360 938 146 Sum 4183 3227 937 97847 66835 10459 bravais-lattice index = 14 lattice parameter (alat) = 26.6999 a.u. unit-cell volume = 1537.6072 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 47.0000 Ry charge density cutoff = 242.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 26.699944 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.952606 celldm(5)= 0.952606 celldm(6)= 0.952606 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.952606 0.304208 0.000000 ) a(3) = ( 0.952606 0.148412 0.265549 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -3.131433 -1.837191 ) b(2) = ( 0.000000 3.287229 -1.837191 ) b(3) = ( 0.000000 0.000000 3.765786 ) PseudoPot. # 1 for Pb read from file: /users/gautes/Pseudo/Pb.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 75f9fe62f948a5acf869e43db2c29526 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 1281 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Sb read from file: /users/gautes/Pseudo/Sb.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 6eab79124e5b154cf38452ae12125a85 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1243 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Pb 14.00 207.20000 Pb( 1.00) Sb 5.00 121.76000 Sb( 1.00) Te 6.00 127.60000 Te( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 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 and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 263 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 2) = ( 0.0119048 -0.0372790 -0.0218713), wk = 0.0038023 k( 3) = ( 0.0238095 -0.0745579 -0.0437426), wk = 0.0038023 k( 4) = ( 0.0357143 -0.1118369 -0.0656140), wk = 0.0038023 k( 5) = ( 0.0476191 -0.1491159 -0.0874853), wk = 0.0038023 k( 6) = ( 0.0595238 -0.1863948 -0.1093566), wk = 0.0038023 k( 7) = ( 0.0714286 -0.2236738 -0.1312279), wk = 0.0038023 k( 8) = ( 0.0833333 -0.2609528 -0.1530992), wk = 0.0038023 k( 9) = ( 0.0952381 -0.2982318 -0.1749706), wk = 0.0038023 k( 10) = ( 0.1071429 -0.3355107 -0.1968419), wk = 0.0038023 k( 11) = ( 0.1190476 -0.3727897 -0.2187132), wk = 0.0038023 k( 12) = ( 0.1309524 -0.4100686 -0.2405845), wk = 0.0038023 k( 13) = ( 0.1428571 -0.4473476 -0.2624558), wk = 0.0038023 k( 14) = ( 0.1547619 -0.4846266 -0.2843272), wk = 0.0038023 k( 15) = ( 0.1666667 -0.5219056 -0.3061985), wk = 0.0038023 k( 16) = ( 0.1785714 -0.5591845 -0.3280698), wk = 0.0038023 k( 17) = ( 0.1904762 -0.5964635 -0.3499411), wk = 0.0038023 k( 18) = ( 0.2023810 -0.6337425 -0.3718124), wk = 0.0038023 k( 19) = ( 0.2142857 -0.6710214 -0.3936838), wk = 0.0038023 k( 20) = ( 0.2261905 -0.7083004 -0.4155551), wk = 0.0038023 k( 21) = ( 0.2380952 -0.7455794 -0.4374264), wk = 0.0038023 k( 22) = ( 0.2500000 -0.7828583 -0.4592977), wk = 0.0038023 k( 23) = ( 0.2619048 -0.8201373 -0.4811690), wk = 0.0038023 k( 24) = ( 0.2738095 -0.8574163 -0.5030404), wk = 0.0038023 k( 25) = ( 0.2857143 -0.8946953 -0.5249117), wk = 0.0038023 k( 26) = ( 0.2976190 -0.9319742 -0.5467830), wk = 0.0038023 k( 27) = ( 0.3095238 -0.9692532 -0.5686543), wk = 0.0038023 k( 28) = ( 0.3214286 -1.0065321 -0.5905257), wk = 0.0038023 k( 29) = ( 0.3333333 -1.0438111 -0.6123970), wk = 0.0038023 k( 30) = ( 0.3452381 -1.0810901 -0.6342683), wk = 0.0038023 k( 31) = ( 0.3571429 -1.1183691 -0.6561396), wk = 0.0038023 k( 32) = ( 0.3690476 -1.1556480 -0.6780109), wk = 0.0038023 k( 33) = ( 0.3809524 -1.1929270 -0.6998823), wk = 0.0038023 k( 34) = ( 0.3928571 -1.2302059 -0.7217536), wk = 0.0038023 k( 35) = ( 0.4047619 -1.2674849 -0.7436249), wk = 0.0038023 k( 36) = ( 0.4166667 -1.3047639 -0.7654962), wk = 0.0038023 k( 37) = ( 0.4285714 -1.3420429 -0.7873675), wk = 0.0038023 k( 38) = ( 0.4404762 -1.3793218 -0.8092389), wk = 0.0038023 k( 39) = ( 0.4523810 -1.4166008 -0.8311102), wk = 0.0038023 k( 40) = ( 0.4642857 -1.4538797 -0.8529815), wk = 0.0038023 k( 41) = ( 0.4761905 -1.4911587 -0.8748528), wk = 0.0038023 k( 42) = ( 0.4880952 -1.5284377 -0.8967241), wk = 0.0038023 k( 43) = ( 0.5000000 -1.5657167 -0.9185955), wk = 0.0038023 k( 44) = ( 0.5000000 -1.5657167 -0.9185955), wk = 0.0038023 k( 45) = ( 0.5000000 -1.5430868 -0.9571674), wk = 0.0038023 k( 46) = ( 0.5000000 -1.5204569 -0.9957393), wk = 0.0038023 k( 47) = ( 0.5000000 -1.4978270 -1.0343112), wk = 0.0038023 k( 48) = ( 0.5000000 -1.4751972 -1.0728831), wk = 0.0038023 k( 49) = ( 0.5000000 -1.4525673 -1.1114550), wk = 0.0038023 k( 50) = ( 0.5000000 -1.4299374 -1.1500269), wk = 0.0038023 k( 51) = ( 0.5000000 -1.4073075 -1.1885988), wk = 0.0038023 k( 52) = ( 0.5000000 -1.3846777 -1.2271707), wk = 0.0038023 k( 53) = ( 0.5000000 -1.3620478 -1.2657426), wk = 0.0038023 k( 54) = ( 0.5000000 -1.3394179 -1.3043145), wk = 0.0038023 k( 55) = ( 0.5000000 -1.3167880 -1.3428864), wk = 0.0038023 k( 56) = ( 0.5000000 -1.2941581 -1.3814583), wk = 0.0038023 k( 57) = ( 0.5000000 -1.2715283 -1.4200302), wk = 0.0038023 k( 58) = ( 0.5000000 -1.2488984 -1.4586021), wk = 0.0038023 k( 59) = ( 0.5000000 -1.2262685 -1.4971740), wk = 0.0038023 k( 60) = ( 0.5000000 -1.2036386 -1.5357459), wk = 0.0038023 k( 61) = ( 0.5000000 -1.1810087 -1.5743179), wk = 0.0038023 k( 62) = ( 0.5000000 -1.1583789 -1.6128898), wk = 0.0038023 k( 63) = ( 0.5000000 -1.1357490 -1.6514617), wk = 0.0038023 k( 64) = ( 0.5000000 -1.1131191 -1.6900336), wk = 0.0038023 k( 65) = ( 0.5000000 -1.0904892 -1.7286055), wk = 0.0038023 k( 66) = ( 0.5000000 -1.0678594 -1.7671774), wk = 0.0038023 k( 67) = ( 0.5000000 -1.0452295 -1.8057493), wk = 0.0038023 k( 68) = ( 0.5000000 -1.0225996 -1.8443212), wk = 0.0038023 k( 69) = ( 0.5000000 -0.9999697 -1.8828931), wk = 0.0038023 k( 70) = ( 0.8278955 -0.9488850 -1.7914888), wk = 0.0038023 k( 71) = ( 0.8210643 -0.9274937 -1.7532140), wk = 0.0038023 k( 72) = ( 0.8142332 -0.9061024 -1.7149391), wk = 0.0038023 k( 73) = ( 0.8074020 -0.8847111 -1.6766643), wk = 0.0038023 k( 74) = ( 0.8005709 -0.8633198 -1.6383895), wk = 0.0038023 k( 75) = ( 0.7937397 -0.8419285 -1.6001147), wk = 0.0038023 k( 76) = ( 0.7869086 -0.8205372 -1.5618399), wk = 0.0038023 k( 77) = ( 0.7800774 -0.7991459 -1.5235651), wk = 0.0038023 k( 78) = ( 0.7732462 -0.7777545 -1.4852903), wk = 0.0038023 k( 79) = ( 0.7664151 -0.7563632 -1.4470155), wk = 0.0038023 k( 80) = ( 0.7595839 -0.7349719 -1.4087407), wk = 0.0038023 k( 81) = ( 0.7527528 -0.7135806 -1.3704659), wk = 0.0038023 k( 82) = ( 0.7459216 -0.6921893 -1.3321910), wk = 0.0038023 k( 83) = ( 0.7390905 -0.6707980 -1.2939162), wk = 0.0038023 k( 84) = ( 0.7322593 -0.6494067 -1.2556414), wk = 0.0038023 k( 85) = ( 0.7254282 -0.6280154 -1.2173666), wk = 0.0038023 k( 86) = ( 0.7185970 -0.6066241 -1.1790918), wk = 0.0038023 k( 87) = ( 0.7117658 -0.5852328 -1.1408170), wk = 0.0038023 k( 88) = ( 0.7049347 -0.5638414 -1.1025422), wk = 0.0038023 k( 89) = ( 0.6981035 -0.5424501 -1.0642674), wk = 0.0038023 k( 90) = ( 0.6912724 -0.5210588 -1.0259926), wk = 0.0038023 k( 91) = ( 0.6844412 -0.4996675 -0.9877177), wk = 0.0038023 k( 92) = ( 0.6776101 -0.4782762 -0.9494429), wk = 0.0038023 k( 93) = ( 0.6707789 -0.4568849 -0.9111681), wk = 0.0038023 k( 94) = ( 0.6639477 -0.4354936 -0.8728933), wk = 0.0038023 k( 95) = ( 0.6571166 -0.4141023 -0.8346185), wk = 0.0038023 k( 96) = ( 0.6502854 -0.3927110 -0.7963437), wk = 0.0038023 k( 97) = ( 0.6434543 -0.3713197 -0.7580689), wk = 0.0038023 k( 98) = ( 0.6366231 -0.3499283 -0.7197941), wk = 0.0038023 k( 99) = ( 0.6297920 -0.3285371 -0.6815193), wk = 0.0038023 k( 100) = ( 0.6229608 -0.3071457 -0.6432445), wk = 0.0038023 k( 101) = ( 0.6161296 -0.2857544 -0.6049696), wk = 0.0038023 k( 102) = ( 0.6092985 -0.2643631 -0.5666948), wk = 0.0038023 k( 103) = ( 0.6024673 -0.2429718 -0.5284200), wk = 0.0038023 k( 104) = ( 0.5956362 -0.2215805 -0.4901452), wk = 0.0038023 k( 105) = ( 0.5888050 -0.2001892 -0.4518704), wk = 0.0038023 k( 106) = ( 0.5819739 -0.1787979 -0.4135956), wk = 0.0038023 k( 107) = ( 0.5751427 -0.1574066 -0.3753208), wk = 0.0038023 k( 108) = ( 0.5683116 -0.1360152 -0.3370460), wk = 0.0038023 k( 109) = ( 0.5614804 -0.1146239 -0.2987711), wk = 0.0038023 k( 110) = ( 0.5546492 -0.0932326 -0.2604963), wk = 0.0038023 k( 111) = ( 0.5478181 -0.0718413 -0.2222215), wk = 0.0038023 k( 112) = ( 0.5409869 -0.0504500 -0.1839467), wk = 0.0038023 k( 113) = ( 0.5341558 -0.0290587 -0.1456719), wk = 0.0038023 k( 114) = ( 0.5273246 -0.0076674 -0.1073971), wk = 0.0038023 k( 115) = ( 0.5204935 0.0137239 -0.0691223), wk = 0.0038023 k( 116) = ( 0.5136623 0.0351152 -0.0308475), wk = 0.0038023 k( 117) = ( 0.5068312 0.0565065 0.0074273), wk = 0.0038023 k( 118) = ( 0.5000000 0.0778979 0.0457021), wk = 0.0038023 k( 119) = ( 0.5000000 0.0778979 0.0457021), wk = 0.0038023 k( 120) = ( 0.4583333 0.0714064 0.0418936), wk = 0.0038023 k( 121) = ( 0.4166667 0.0649149 0.0380851), wk = 0.0038023 k( 122) = ( 0.3750000 0.0584234 0.0342766), wk = 0.0038023 k( 123) = ( 0.3333333 0.0519319 0.0304681), wk = 0.0038023 k( 124) = ( 0.2916667 0.0454404 0.0266596), wk = 0.0038023 k( 125) = ( 0.2500000 0.0389489 0.0228511), wk = 0.0038023 k( 126) = ( 0.2083333 0.0324574 0.0190426), wk = 0.0038023 k( 127) = ( 0.1666667 0.0259660 0.0152340), wk = 0.0038023 k( 128) = ( 0.1250000 0.0194745 0.0114255), wk = 0.0038023 k( 129) = ( 0.0833333 0.0129830 0.0076170), wk = 0.0038023 k( 130) = ( 0.0416667 0.0064915 0.0038085), wk = 0.0038023 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 133) = ( 0.0068582 -0.0214760 -0.0384264), wk = 0.0038023 k( 134) = ( 0.0137164 -0.0429521 -0.0768528), wk = 0.0038023 k( 135) = ( 0.0205746 -0.0644281 -0.1152792), wk = 0.0038023 k( 136) = ( 0.0274328 -0.0859041 -0.1537056), wk = 0.0038023 k( 137) = ( 0.0342910 -0.1073801 -0.1921320), wk = 0.0038023 k( 138) = ( 0.0411493 -0.1288562 -0.2305584), wk = 0.0038023 k( 139) = ( 0.0480075 -0.1503322 -0.2689847), wk = 0.0038023 k( 140) = ( 0.0548657 -0.1718082 -0.3074111), wk = 0.0038023 k( 141) = ( 0.0617239 -0.1932842 -0.3458375), wk = 0.0038023 k( 142) = ( 0.0685821 -0.2147602 -0.3842639), wk = 0.0038023 k( 143) = ( 0.0754403 -0.2362363 -0.4226903), wk = 0.0038023 k( 144) = ( 0.0822985 -0.2577123 -0.4611167), wk = 0.0038023 k( 145) = ( 0.0891567 -0.2791883 -0.4995431), wk = 0.0038023 k( 146) = ( 0.0960149 -0.3006644 -0.5379694), wk = 0.0038023 k( 147) = ( 0.1028731 -0.3221404 -0.5763958), wk = 0.0038023 k( 148) = ( 0.1097314 -0.3436164 -0.6148222), wk = 0.0038023 k( 149) = ( 0.1165896 -0.3650924 -0.6532486), wk = 0.0038023 k( 150) = ( 0.1234478 -0.3865685 -0.6916750), wk = 0.0038023 k( 151) = ( 0.1303060 -0.4080445 -0.7301014), wk = 0.0038023 k( 152) = ( 0.1371642 -0.4295205 -0.7685278), wk = 0.0038023 k( 153) = ( 0.1440224 -0.4509965 -0.8069541), wk = 0.0038023 k( 154) = ( 0.1508806 -0.4724725 -0.8453805), wk = 0.0038023 k( 155) = ( 0.1577388 -0.4939486 -0.8838069), wk = 0.0038023 k( 156) = ( 0.1645970 -0.5154246 -0.9222333), wk = 0.0038023 k( 157) = ( 0.1714552 -0.5369006 -0.9606597), wk = 0.0038023 k( 158) = ( 0.1783134 -0.5583766 -0.9990861), wk = 0.0038023 k( 159) = ( 0.1851716 -0.5798527 -1.0375125), wk = 0.0038023 k( 160) = ( 0.1920299 -0.6013287 -1.0759389), wk = 0.0038023 k( 161) = ( 0.1988881 -0.6228047 -1.1143653), wk = 0.0038023 k( 162) = ( 0.2057463 -0.6442808 -1.1527917), wk = 0.0038023 k( 163) = ( 0.2126045 -0.6657568 -1.1912181), wk = 0.0038023 k( 164) = ( 0.2194627 -0.6872328 -1.2296445), wk = 0.0038023 k( 165) = ( 0.2263209 -0.7087088 -1.2680709), wk = 0.0038023 k( 166) = ( 0.2331791 -0.7301848 -1.3064972), wk = 0.0038023 k( 167) = ( 0.2400373 -0.7516609 -1.3449236), wk = 0.0038023 k( 168) = ( 0.2468955 -0.7731369 -1.3833500), wk = 0.0038023 k( 169) = ( 0.2537537 -0.7946129 -1.4217764), wk = 0.0038023 k( 170) = ( 0.2606119 -0.8160889 -1.4602028), wk = 0.0038023 k( 171) = ( 0.2674702 -0.8375650 -1.4986292), wk = 0.0038023 k( 172) = ( 0.2743284 -0.8590410 -1.5370556), wk = 0.0038023 k( 173) = ( 0.2811866 -0.8805170 -1.5754820), wk = 0.0038023 k( 174) = ( 0.2880448 -0.9019931 -1.6139083), wk = 0.0038023 k( 175) = ( 0.2949030 -0.9234691 -1.6523347), wk = 0.0038023 k( 176) = ( 0.3017612 -0.9449451 -1.6907611), wk = 0.0038023 k( 177) = ( 0.3086194 -0.9664211 -1.7291875), wk = 0.0038023 k( 178) = ( 0.3154776 -0.9878972 -1.7676139), wk = 0.0038023 k( 179) = ( 0.3223358 -1.0093732 -1.8060403), wk = 0.0038023 k( 180) = ( 0.3291940 -1.0308492 -1.8444667), wk = 0.0038023 k( 181) = ( 0.3360522 -1.0523252 -1.8828930), wk = 0.0038023 k( 182) = ( 0.6639477 -0.9744274 -1.8371909), wk = 0.0038023 k( 183) = ( 0.6571166 -0.9305805 -1.8371909), wk = 0.0038023 k( 184) = ( 0.6502854 -0.8867336 -1.8371909), wk = 0.0038023 k( 185) = ( 0.6434543 -0.8428867 -1.8371909), wk = 0.0038023 k( 186) = ( 0.6366231 -0.7990398 -1.8371909), wk = 0.0038023 k( 187) = ( 0.6297920 -0.7551930 -1.8371909), wk = 0.0038023 k( 188) = ( 0.6229608 -0.7113461 -1.8371909), wk = 0.0038023 k( 189) = ( 0.6161296 -0.6674992 -1.8371909), wk = 0.0038023 k( 190) = ( 0.6092985 -0.6236523 -1.8371909), wk = 0.0038023 k( 191) = ( 0.6024673 -0.5798054 -1.8371909), wk = 0.0038023 k( 192) = ( 0.5956362 -0.5359586 -1.8371909), wk = 0.0038023 k( 193) = ( 0.5888050 -0.4921117 -1.8371909), wk = 0.0038023 k( 194) = ( 0.5819739 -0.4482647 -1.8371909), wk = 0.0038023 k( 195) = ( 0.5751427 -0.4044179 -1.8371909), wk = 0.0038023 k( 196) = ( 0.5683116 -0.3605710 -1.8371909), wk = 0.0038023 k( 197) = ( 0.5614804 -0.3167241 -1.8371909), wk = 0.0038023 k( 198) = ( 0.5546492 -0.2728772 -1.8371909), wk = 0.0038023 k( 199) = ( 0.5478181 -0.2290303 -1.8371909), wk = 0.0038023 k( 200) = ( 0.5409869 -0.1851835 -1.8371909), wk = 0.0038023 k( 201) = ( 0.5341558 -0.1413366 -1.8371909), wk = 0.0038023 k( 202) = ( 0.5273246 -0.0974897 -1.8371909), wk = 0.0038023 k( 203) = ( 0.5204935 -0.0536428 -1.8371909), wk = 0.0038023 k( 204) = ( 0.5136623 -0.0097959 -1.8371909), wk = 0.0038023 k( 205) = ( 0.5068312 0.0340509 -1.8371909), wk = 0.0038023 k( 206) = ( 0.5000000 0.0778979 -1.8371909), wk = 0.0038023 k( 207) = ( 0.5000000 0.0778979 -1.8371909), wk = 0.0038023 k( 208) = ( 0.5409869 0.0842834 -1.8257654), wk = 0.0038023 k( 209) = ( 0.5819739 0.0906690 -1.8143398), wk = 0.0038023 k( 210) = ( 0.6229608 0.0970546 -1.8029143), wk = 0.0038023 k( 211) = ( 0.6639477 0.1034402 -1.7914888), wk = 0.0038023 k( 212) = ( 0.6639477 0.1034402 -1.7914888), wk = 0.0038023 k( 213) = ( 0.6600442 0.1028321 -1.7477461), wk = 0.0038023 k( 214) = ( 0.6561407 0.1022239 -1.7040035), wk = 0.0038023 k( 215) = ( 0.6522372 0.1016157 -1.6602609), wk = 0.0038023 k( 216) = ( 0.6483337 0.1010076 -1.6165182), wk = 0.0038023 k( 217) = ( 0.6444302 0.1003994 -1.5727756), wk = 0.0038023 k( 218) = ( 0.6405266 0.0997913 -1.5290329), wk = 0.0038023 k( 219) = ( 0.6366231 0.0991831 -1.4852903), wk = 0.0038023 k( 220) = ( 0.6327196 0.0985750 -1.4415476), wk = 0.0038023 k( 221) = ( 0.6288161 0.0979668 -1.3978050), wk = 0.0038023 k( 222) = ( 0.6249126 0.0973587 -1.3540624), wk = 0.0038023 k( 223) = ( 0.6210090 0.0967505 -1.3103197), wk = 0.0038023 k( 224) = ( 0.6171055 0.0961424 -1.2665771), wk = 0.0038023 k( 225) = ( 0.6132020 0.0955342 -1.2228345), wk = 0.0038023 k( 226) = ( 0.6092985 0.0949261 -1.1790918), wk = 0.0038023 k( 227) = ( 0.6053950 0.0943179 -1.1353492), wk = 0.0038023 k( 228) = ( 0.6014915 0.0937098 -1.0916065), wk = 0.0038023 k( 229) = ( 0.5975879 0.0931016 -1.0478639), wk = 0.0038023 k( 230) = ( 0.5936844 0.0924935 -1.0041212), wk = 0.0038023 k( 231) = ( 0.5897809 0.0918853 -0.9603786), wk = 0.0038023 k( 232) = ( 0.5858774 0.0912772 -0.9166359), wk = 0.0038023 k( 233) = ( 0.5819739 0.0906690 -0.8728933), wk = 0.0038023 k( 234) = ( 0.5780704 0.0900609 -0.8291507), wk = 0.0038023 k( 235) = ( 0.5741668 0.0894527 -0.7854081), wk = 0.0038023 k( 236) = ( 0.5702633 0.0888446 -0.7416654), wk = 0.0038023 k( 237) = ( 0.5663598 0.0882364 -0.6979227), wk = 0.0038023 k( 238) = ( 0.5624563 0.0876283 -0.6541801), wk = 0.0038023 k( 239) = ( 0.5585528 0.0870201 -0.6104375), wk = 0.0038023 k( 240) = ( 0.5546492 0.0864120 -0.5666948), wk = 0.0038023 k( 241) = ( 0.5507457 0.0858038 -0.5229522), wk = 0.0038023 k( 242) = ( 0.5468422 0.0851957 -0.4792095), wk = 0.0038023 k( 243) = ( 0.5429387 0.0845875 -0.4354669), wk = 0.0038023 k( 244) = ( 0.5390352 0.0839794 -0.3917243), wk = 0.0038023 k( 245) = ( 0.5351317 0.0833712 -0.3479816), wk = 0.0038023 k( 246) = ( 0.5312281 0.0827631 -0.3042390), wk = 0.0038023 k( 247) = ( 0.5273246 0.0821549 -0.2604963), wk = 0.0038023 k( 248) = ( 0.5234211 0.0815468 -0.2167537), wk = 0.0038023 k( 249) = ( 0.5195176 0.0809386 -0.1730111), wk = 0.0038023 k( 250) = ( 0.5156141 0.0803305 -0.1292684), wk = 0.0038023 k( 251) = ( 0.5117105 0.0797223 -0.0855258), wk = 0.0038023 k( 252) = ( 0.5078070 0.0791142 -0.0417831), wk = 0.0038023 k( 253) = ( 0.5039035 0.0785060 0.0019595), wk = 0.0038023 k( 254) = ( 0.5000000 0.0778979 0.0457021), wk = 0.0038023 k( 255) = ( 0.5000000 -1.5657167 -0.9185955), wk = 0.0038023 k( 256) = ( 0.5409869 -1.5559795 -0.9128827), wk = 0.0038023 k( 257) = ( 0.5819739 -1.5462422 -0.9071699), wk = 0.0038023 k( 258) = ( 0.6229608 -1.5365050 -0.9014571), wk = 0.0038023 k( 259) = ( 0.6639477 -1.5267677 -0.8957444), wk = 0.0038023 k( 260) = ( 0.7049347 -1.5170305 -0.8900316), wk = 0.0038023 k( 261) = ( 0.7459216 -1.5072933 -0.8843189), wk = 0.0038023 k( 262) = ( 0.7869086 -1.4975561 -0.8786061), wk = 0.0038023 k( 263) = ( 0.8278955 -1.4878188 -0.8728933), wk = 0.0038023 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 2) = ( 0.0119048 0.0000000 0.0000000), wk = 0.0038023 k( 3) = ( 0.0238095 0.0000000 0.0000000), wk = 0.0038023 k( 4) = ( 0.0357143 0.0000000 -0.0000000), wk = 0.0038023 k( 5) = ( 0.0476191 0.0000000 0.0000000), wk = 0.0038023 k( 6) = ( 0.0595238 -0.0000000 0.0000000), wk = 0.0038023 k( 7) = ( 0.0714286 0.0000000 0.0000000), wk = 0.0038023 k( 8) = ( 0.0833333 -0.0000000 0.0000000), wk = 0.0038023 k( 9) = ( 0.0952381 0.0000000 0.0000000), wk = 0.0038023 k( 10) = ( 0.1071429 -0.0000000 -0.0000000), wk = 0.0038023 k( 11) = ( 0.1190476 -0.0000000 0.0000000), wk = 0.0038023 k( 12) = ( 0.1309524 0.0000000 0.0000000), wk = 0.0038023 k( 13) = ( 0.1428571 0.0000000 0.0000000), wk = 0.0038023 k( 14) = ( 0.1547619 -0.0000000 0.0000000), wk = 0.0038023 k( 15) = ( 0.1666667 0.0000000 0.0000000), wk = 0.0038023 k( 16) = ( 0.1785714 -0.0000000 0.0000000), wk = 0.0038023 k( 17) = ( 0.1904762 -0.0000000 -0.0000000), wk = 0.0038023 k( 18) = ( 0.2023810 0.0000000 0.0000000), wk = 0.0038023 k( 19) = ( 0.2142857 0.0000000 0.0000000), wk = 0.0038023 k( 20) = ( 0.2261905 0.0000000 0.0000000), wk = 0.0038023 k( 21) = ( 0.2380952 -0.0000000 0.0000000), wk = 0.0038023 k( 22) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0038023 k( 23) = ( 0.2619048 0.0000000 0.0000000), wk = 0.0038023 k( 24) = ( 0.2738095 -0.0000000 -0.0000000), wk = 0.0038023 k( 25) = ( 0.2857143 0.0000000 0.0000000), wk = 0.0038023 k( 26) = ( 0.2976190 -0.0000000 -0.0000000), wk = 0.0038023 k( 27) = ( 0.3095238 0.0000000 -0.0000000), wk = 0.0038023 k( 28) = ( 0.3214286 -0.0000000 -0.0000000), wk = 0.0038023 k( 29) = ( 0.3333333 0.0000000 0.0000000), wk = 0.0038023 k( 30) = ( 0.3452381 -0.0000000 -0.0000000), wk = 0.0038023 k( 31) = ( 0.3571429 -0.0000000 0.0000000), wk = 0.0038023 k( 32) = ( 0.3690476 0.0000000 -0.0000000), wk = 0.0038023 k( 33) = ( 0.3809524 -0.0000000 -0.0000000), wk = 0.0038023 k( 34) = ( 0.3928571 -0.0000000 0.0000000), wk = 0.0038023 k( 35) = ( 0.4047619 0.0000000 0.0000000), wk = 0.0038023 k( 36) = ( 0.4166667 -0.0000000 0.0000000), wk = 0.0038023 k( 37) = ( 0.4285714 -0.0000000 0.0000000), wk = 0.0038023 k( 38) = ( 0.4404762 0.0000000 0.0000000), wk = 0.0038023 k( 39) = ( 0.4523810 -0.0000000 0.0000000), wk = 0.0038023 k( 40) = ( 0.4642857 -0.0000000 -0.0000000), wk = 0.0038023 k( 41) = ( 0.4761905 -0.0000000 0.0000000), wk = 0.0038023 k( 42) = ( 0.4880952 -0.0000000 -0.0000000), wk = 0.0038023 k( 43) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0038023 k( 44) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0038023 k( 45) = ( 0.5000000 0.0068842 -0.0068842), wk = 0.0038023 k( 46) = ( 0.5000000 0.0137684 -0.0137684), wk = 0.0038023 k( 47) = ( 0.5000000 0.0206525 -0.0206525), wk = 0.0038023 k( 48) = ( 0.5000000 0.0275367 -0.0275367), wk = 0.0038023 k( 49) = ( 0.5000000 0.0344209 -0.0344209), wk = 0.0038023 k( 50) = ( 0.5000000 0.0413051 -0.0413051), wk = 0.0038023 k( 51) = ( 0.5000000 0.0481893 -0.0481893), wk = 0.0038023 k( 52) = ( 0.5000000 0.0550734 -0.0550734), wk = 0.0038023 k( 53) = ( 0.5000000 0.0619576 -0.0619576), wk = 0.0038023 k( 54) = ( 0.5000000 0.0688418 -0.0688418), wk = 0.0038023 k( 55) = ( 0.5000000 0.0757260 -0.0757260), wk = 0.0038023 k( 56) = ( 0.5000000 0.0826102 -0.0826102), wk = 0.0038023 k( 57) = ( 0.5000000 0.0894943 -0.0894943), wk = 0.0038023 k( 58) = ( 0.5000000 0.0963785 -0.0963785), wk = 0.0038023 k( 59) = ( 0.5000000 0.1032627 -0.1032627), wk = 0.0038023 k( 60) = ( 0.5000000 0.1101469 -0.1101469), wk = 0.0038023 k( 61) = ( 0.5000000 0.1170311 -0.1170311), wk = 0.0038023 k( 62) = ( 0.5000000 0.1239153 -0.1239153), wk = 0.0038023 k( 63) = ( 0.5000000 0.1307994 -0.1307994), wk = 0.0038023 k( 64) = ( 0.5000000 0.1376836 -0.1376836), wk = 0.0038023 k( 65) = ( 0.5000000 0.1445678 -0.1445678), wk = 0.0038023 k( 66) = ( 0.5000000 0.1514520 -0.1514520), wk = 0.0038023 k( 67) = ( 0.5000000 0.1583361 -0.1583361), wk = 0.0038023 k( 68) = ( 0.5000000 0.1652203 -0.1652203), wk = 0.0038023 k( 69) = ( 0.5000000 0.1721045 -0.1721045), wk = 0.0038023 k( 70) = ( 0.8278955 0.5000000 0.1721045), wk = 0.0038023 k( 71) = ( 0.8210643 0.5000000 0.1789357), wk = 0.0038023 k( 72) = ( 0.8142332 0.5000000 0.1857668), wk = 0.0038023 k( 73) = ( 0.8074020 0.5000000 0.1925980), wk = 0.0038023 k( 74) = ( 0.8005709 0.5000000 0.1994291), wk = 0.0038023 k( 75) = ( 0.7937397 0.5000000 0.2062603), wk = 0.0038023 k( 76) = ( 0.7869086 0.5000000 0.2130914), wk = 0.0038023 k( 77) = ( 0.7800774 0.5000000 0.2199226), wk = 0.0038023 k( 78) = ( 0.7732462 0.5000000 0.2267538), wk = 0.0038023 k( 79) = ( 0.7664151 0.5000000 0.2335849), wk = 0.0038023 k( 80) = ( 0.7595839 0.5000000 0.2404161), wk = 0.0038023 k( 81) = ( 0.7527528 0.5000000 0.2472472), wk = 0.0038023 k( 82) = ( 0.7459216 0.5000000 0.2540784), wk = 0.0038023 k( 83) = ( 0.7390905 0.5000000 0.2609095), wk = 0.0038023 k( 84) = ( 0.7322593 0.5000000 0.2677407), wk = 0.0038023 k( 85) = ( 0.7254282 0.5000000 0.2745718), wk = 0.0038023 k( 86) = ( 0.7185970 0.5000000 0.2814030), wk = 0.0038023 k( 87) = ( 0.7117658 0.5000000 0.2882342), wk = 0.0038023 k( 88) = ( 0.7049347 0.5000000 0.2950653), wk = 0.0038023 k( 89) = ( 0.6981035 0.5000000 0.3018965), wk = 0.0038023 k( 90) = ( 0.6912724 0.5000000 0.3087276), wk = 0.0038023 k( 91) = ( 0.6844412 0.5000000 0.3155588), wk = 0.0038023 k( 92) = ( 0.6776101 0.5000000 0.3223899), wk = 0.0038023 k( 93) = ( 0.6707789 0.5000000 0.3292211), wk = 0.0038023 k( 94) = ( 0.6639477 0.5000000 0.3360522), wk = 0.0038023 k( 95) = ( 0.6571166 0.5000000 0.3428834), wk = 0.0038023 k( 96) = ( 0.6502854 0.5000000 0.3497146), wk = 0.0038023 k( 97) = ( 0.6434543 0.5000000 0.3565457), wk = 0.0038023 k( 98) = ( 0.6366231 0.5000000 0.3633769), wk = 0.0038023 k( 99) = ( 0.6297920 0.5000000 0.3702080), wk = 0.0038023 k( 100) = ( 0.6229608 0.5000000 0.3770392), wk = 0.0038023 k( 101) = ( 0.6161296 0.5000000 0.3838703), wk = 0.0038023 k( 102) = ( 0.6092985 0.5000000 0.3907015), wk = 0.0038023 k( 103) = ( 0.6024673 0.5000000 0.3975327), wk = 0.0038023 k( 104) = ( 0.5956362 0.5000000 0.4043638), wk = 0.0038023 k( 105) = ( 0.5888050 0.5000000 0.4111950), wk = 0.0038023 k( 106) = ( 0.5819739 0.5000000 0.4180261), wk = 0.0038023 k( 107) = ( 0.5751427 0.5000000 0.4248573), wk = 0.0038023 k( 108) = ( 0.5683116 0.5000000 0.4316884), wk = 0.0038023 k( 109) = ( 0.5614804 0.5000000 0.4385196), wk = 0.0038023 k( 110) = ( 0.5546492 0.5000000 0.4453507), wk = 0.0038023 k( 111) = ( 0.5478181 0.5000000 0.4521819), wk = 0.0038023 k( 112) = ( 0.5409869 0.5000000 0.4590131), wk = 0.0038023 k( 113) = ( 0.5341558 0.5000000 0.4658442), wk = 0.0038023 k( 114) = ( 0.5273246 0.5000000 0.4726754), wk = 0.0038023 k( 115) = ( 0.5204935 0.5000000 0.4795065), wk = 0.0038023 k( 116) = ( 0.5136623 0.5000000 0.4863377), wk = 0.0038023 k( 117) = ( 0.5068312 0.5000000 0.4931688), wk = 0.0038023 k( 118) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038023 k( 119) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038023 k( 120) = ( 0.4583333 0.4583333 0.4583333), wk = 0.0038023 k( 121) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0038023 k( 122) = ( 0.3750000 0.3750000 0.3750000), wk = 0.0038023 k( 123) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0038023 k( 124) = ( 0.2916667 0.2916667 0.2916667), wk = 0.0038023 k( 125) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0038023 k( 126) = ( 0.2083333 0.2083333 0.2083333), wk = 0.0038023 k( 127) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0038023 k( 128) = ( 0.1250000 0.1250000 0.1250000), wk = 0.0038023 k( 129) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0038023 k( 130) = ( 0.0416667 0.0416667 0.0416667), wk = 0.0038023 k( 131) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 132) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0038023 k( 133) = ( 0.0068582 0.0000000 -0.0068582), wk = 0.0038023 k( 134) = ( 0.0137164 0.0000000 -0.0137164), wk = 0.0038023 k( 135) = ( 0.0205746 0.0000000 -0.0205746), wk = 0.0038023 k( 136) = ( 0.0274328 0.0000000 -0.0274328), wk = 0.0038023 k( 137) = ( 0.0342910 0.0000000 -0.0342910), wk = 0.0038023 k( 138) = ( 0.0411493 0.0000000 -0.0411493), wk = 0.0038023 k( 139) = ( 0.0480075 -0.0000000 -0.0480075), wk = 0.0038023 k( 140) = ( 0.0548657 -0.0000000 -0.0548657), wk = 0.0038023 k( 141) = ( 0.0617239 0.0000000 -0.0617239), wk = 0.0038023 k( 142) = ( 0.0685821 0.0000000 -0.0685821), wk = 0.0038023 k( 143) = ( 0.0754403 0.0000000 -0.0754403), wk = 0.0038023 k( 144) = ( 0.0822985 0.0000000 -0.0822985), wk = 0.0038023 k( 145) = ( 0.0891567 -0.0000000 -0.0891567), wk = 0.0038023 k( 146) = ( 0.0960149 0.0000000 -0.0960149), wk = 0.0038023 k( 147) = ( 0.1028731 -0.0000000 -0.1028731), wk = 0.0038023 k( 148) = ( 0.1097314 0.0000000 -0.1097313), wk = 0.0038023 k( 149) = ( 0.1165896 0.0000000 -0.1165896), wk = 0.0038023 k( 150) = ( 0.1234478 0.0000000 -0.1234478), wk = 0.0038023 k( 151) = ( 0.1303060 0.0000000 -0.1303060), wk = 0.0038023 k( 152) = ( 0.1371642 0.0000000 -0.1371642), wk = 0.0038023 k( 153) = ( 0.1440224 0.0000000 -0.1440224), wk = 0.0038023 k( 154) = ( 0.1508806 0.0000000 -0.1508806), wk = 0.0038023 k( 155) = ( 0.1577388 -0.0000000 -0.1577388), wk = 0.0038023 k( 156) = ( 0.1645970 0.0000000 -0.1645970), wk = 0.0038023 k( 157) = ( 0.1714552 0.0000000 -0.1714552), wk = 0.0038023 k( 158) = ( 0.1783134 -0.0000000 -0.1783134), wk = 0.0038023 k( 159) = ( 0.1851716 -0.0000000 -0.1851716), wk = 0.0038023 k( 160) = ( 0.1920299 0.0000000 -0.1920299), wk = 0.0038023 k( 161) = ( 0.1988881 0.0000000 -0.1988881), wk = 0.0038023 k( 162) = ( 0.2057463 -0.0000000 -0.2057463), wk = 0.0038023 k( 163) = ( 0.2126045 0.0000000 -0.2126045), wk = 0.0038023 k( 164) = ( 0.2194627 0.0000000 -0.2194627), wk = 0.0038023 k( 165) = ( 0.2263209 -0.0000000 -0.2263209), wk = 0.0038023 k( 166) = ( 0.2331791 -0.0000000 -0.2331791), wk = 0.0038023 k( 167) = ( 0.2400373 0.0000000 -0.2400373), wk = 0.0038023 k( 168) = ( 0.2468955 -0.0000000 -0.2468955), wk = 0.0038023 k( 169) = ( 0.2537537 0.0000000 -0.2537537), wk = 0.0038023 k( 170) = ( 0.2606119 0.0000000 -0.2606119), wk = 0.0038023 k( 171) = ( 0.2674702 0.0000000 -0.2674702), wk = 0.0038023 k( 172) = ( 0.2743284 -0.0000000 -0.2743284), wk = 0.0038023 k( 173) = ( 0.2811866 0.0000000 -0.2811866), wk = 0.0038023 k( 174) = ( 0.2880448 -0.0000000 -0.2880448), wk = 0.0038023 k( 175) = ( 0.2949030 0.0000000 -0.2949030), wk = 0.0038023 k( 176) = ( 0.3017612 0.0000000 -0.3017612), wk = 0.0038023 k( 177) = ( 0.3086194 0.0000000 -0.3086194), wk = 0.0038023 k( 178) = ( 0.3154776 0.0000000 -0.3154776), wk = 0.0038023 k( 179) = ( 0.3223358 0.0000000 -0.3223358), wk = 0.0038023 k( 180) = ( 0.3291940 0.0000000 -0.3291940), wk = 0.0038023 k( 181) = ( 0.3360522 0.0000000 -0.3360522), wk = 0.0038023 k( 182) = ( 0.6639477 0.3360522 0.0000000), wk = 0.0038023 k( 183) = ( 0.6571166 0.3428834 0.0000000), wk = 0.0038023 k( 184) = ( 0.6502854 0.3497146 0.0000000), wk = 0.0038023 k( 185) = ( 0.6434543 0.3565457 0.0000000), wk = 0.0038023 k( 186) = ( 0.6366231 0.3633769 0.0000000), wk = 0.0038023 k( 187) = ( 0.6297920 0.3702080 -0.0000000), wk = 0.0038023 k( 188) = ( 0.6229608 0.3770392 -0.0000000), wk = 0.0038023 k( 189) = ( 0.6161296 0.3838704 0.0000000), wk = 0.0038023 k( 190) = ( 0.6092985 0.3907015 -0.0000000), wk = 0.0038023 k( 191) = ( 0.6024673 0.3975327 0.0000000), wk = 0.0038023 k( 192) = ( 0.5956362 0.4043638 0.0000000), wk = 0.0038023 k( 193) = ( 0.5888050 0.4111950 -0.0000000), wk = 0.0038023 k( 194) = ( 0.5819739 0.4180261 -0.0000000), wk = 0.0038023 k( 195) = ( 0.5751427 0.4248573 0.0000000), wk = 0.0038023 k( 196) = ( 0.5683116 0.4316884 0.0000000), wk = 0.0038023 k( 197) = ( 0.5614804 0.4385196 0.0000000), wk = 0.0038023 k( 198) = ( 0.5546492 0.4453508 0.0000000), wk = 0.0038023 k( 199) = ( 0.5478181 0.4521819 0.0000000), wk = 0.0038023 k( 200) = ( 0.5409869 0.4590131 0.0000000), wk = 0.0038023 k( 201) = ( 0.5341558 0.4658442 0.0000000), wk = 0.0038023 k( 202) = ( 0.5273246 0.4726754 0.0000000), wk = 0.0038023 k( 203) = ( 0.5204935 0.4795065 0.0000000), wk = 0.0038023 k( 204) = ( 0.5136623 0.4863377 -0.0000000), wk = 0.0038023 k( 205) = ( 0.5068312 0.4931688 0.0000000), wk = 0.0038023 k( 206) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038023 k( 207) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0038023 k( 208) = ( 0.5409869 0.5409869 0.0430261), wk = 0.0038023 k( 209) = ( 0.5819739 0.5819739 0.0860522), wk = 0.0038023 k( 210) = ( 0.6229608 0.6229608 0.1290784), wk = 0.0038023 k( 211) = ( 0.6639477 0.6639477 0.1721045), wk = 0.0038023 k( 212) = ( 0.6639477 0.6639477 0.1721045), wk = 0.0038023 k( 213) = ( 0.6600442 0.6600442 0.1799115), wk = 0.0038023 k( 214) = ( 0.6561407 0.6561407 0.1877186), wk = 0.0038023 k( 215) = ( 0.6522372 0.6522372 0.1955256), wk = 0.0038023 k( 216) = ( 0.6483337 0.6483337 0.2033326), wk = 0.0038023 k( 217) = ( 0.6444302 0.6444302 0.2111397), wk = 0.0038023 k( 218) = ( 0.6405266 0.6405266 0.2189467), wk = 0.0038023 k( 219) = ( 0.6366231 0.6366231 0.2267538), wk = 0.0038023 k( 220) = ( 0.6327196 0.6327196 0.2345608), wk = 0.0038023 k( 221) = ( 0.6288161 0.6288161 0.2423678), wk = 0.0038023 k( 222) = ( 0.6249126 0.6249126 0.2501749), wk = 0.0038023 k( 223) = ( 0.6210090 0.6210090 0.2579819), wk = 0.0038023 k( 224) = ( 0.6171055 0.6171055 0.2657889), wk = 0.0038023 k( 225) = ( 0.6132020 0.6132020 0.2735960), wk = 0.0038023 k( 226) = ( 0.6092985 0.6092985 0.2814030), wk = 0.0038023 k( 227) = ( 0.6053950 0.6053950 0.2892100), wk = 0.0038023 k( 228) = ( 0.6014915 0.6014915 0.2970171), wk = 0.0038023 k( 229) = ( 0.5975879 0.5975879 0.3048241), wk = 0.0038023 k( 230) = ( 0.5936844 0.5936844 0.3126312), wk = 0.0038023 k( 231) = ( 0.5897809 0.5897809 0.3204382), wk = 0.0038023 k( 232) = ( 0.5858774 0.5858774 0.3282452), wk = 0.0038023 k( 233) = ( 0.5819739 0.5819739 0.3360522), wk = 0.0038023 k( 234) = ( 0.5780704 0.5780704 0.3438593), wk = 0.0038023 k( 235) = ( 0.5741668 0.5741668 0.3516663), wk = 0.0038023 k( 236) = ( 0.5702633 0.5702633 0.3594734), wk = 0.0038023 k( 237) = ( 0.5663598 0.5663598 0.3672804), wk = 0.0038023 k( 238) = ( 0.5624563 0.5624563 0.3750874), wk = 0.0038023 k( 239) = ( 0.5585528 0.5585528 0.3828945), wk = 0.0038023 k( 240) = ( 0.5546492 0.5546492 0.3907015), wk = 0.0038023 k( 241) = ( 0.5507457 0.5507457 0.3985085), wk = 0.0038023 k( 242) = ( 0.5468422 0.5468422 0.4063156), wk = 0.0038023 k( 243) = ( 0.5429387 0.5429387 0.4141226), wk = 0.0038023 k( 244) = ( 0.5390352 0.5390352 0.4219296), wk = 0.0038023 k( 245) = ( 0.5351317 0.5351317 0.4297367), wk = 0.0038023 k( 246) = ( 0.5312281 0.5312281 0.4375437), wk = 0.0038023 k( 247) = ( 0.5273246 0.5273246 0.4453508), wk = 0.0038023 k( 248) = ( 0.5234211 0.5234211 0.4531578), wk = 0.0038023 k( 249) = ( 0.5195176 0.5195176 0.4609648), wk = 0.0038023 k( 250) = ( 0.5156141 0.5156141 0.4687719), wk = 0.0038023 k( 251) = ( 0.5117105 0.5117105 0.4765789), wk = 0.0038023 k( 252) = ( 0.5078070 0.5078070 0.4843859), wk = 0.0038023 k( 253) = ( 0.5039035 0.5039035 0.4921930), wk = 0.0038023 k( 254) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0038023 k( 255) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0038023 k( 256) = ( 0.5409869 0.0420065 0.0420065), wk = 0.0038023 k( 257) = ( 0.5819739 0.0840131 0.0840131), wk = 0.0038023 k( 258) = ( 0.6229608 0.1260196 0.1260196), wk = 0.0038023 k( 259) = ( 0.6639477 0.1680261 0.1680261), wk = 0.0038023 k( 260) = ( 0.7049347 0.2100327 0.2100327), wk = 0.0038023 k( 261) = ( 0.7459216 0.2520392 0.2520392), wk = 0.0038023 k( 262) = ( 0.7869086 0.2940457 0.2940457), wk = 0.0038023 k( 263) = ( 0.8278955 0.3360522 0.3360522), wk = 0.0038023 Dense grid: 97847 G-vectors FFT dimensions: ( 135, 135, 135) Smooth grid: 66835 G-vectors FFT dimensions: ( 120, 120, 120) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.21 Mb ( 238, 58) NL pseudopotentials 0.43 Mb ( 119, 238) Each V/rho on FFT grid 0.56 Mb ( 36450) Each G-vector array 0.01 Mb ( 1359) G-vector shells 0.01 Mb ( 1232) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.84 Mb ( 238, 232) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.42 Mb ( 238, 2, 58) The potential is recalculated from file : ./Sb2Te4Pb.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 7.8 secs Computing kpt #: 2 total cpu time spent up to now is 11.4 secs Computing kpt #: 3 total cpu time spent up to now is 14.8 secs Computing kpt #: 4 total cpu time spent up to now is 18.2 secs Computing kpt #: 5 total cpu time spent up to now is 21.6 secs Computing kpt #: 6 total cpu time spent up to now is 25.6 secs Computing kpt #: 7 total cpu time spent up to now is 29.3 secs Computing kpt #: 8 total cpu time spent up to now is 33.2 secs Computing kpt #: 9 total cpu time spent up to now is 37.1 secs Computing kpt #: 10 total cpu time spent up to now is 41.7 secs Computing kpt #: 11 total cpu time spent up to now is 46.3 secs Computing kpt #: 12 total cpu time spent up to now is 51.1 secs Computing kpt #: 13 total cpu time spent up to now is 57.1 secs Computing kpt #: 14 total cpu time spent up to now is 62.9 secs Computing kpt #: 15 total cpu time spent up to now is 67.9 secs Computing kpt #: 16 total cpu time spent up to now is 71.4 secs Computing kpt #: 17 total cpu time spent up to now is 74.8 secs Computing kpt #: 18 total cpu time spent up to now is 77.8 secs Computing kpt #: 19 total cpu time spent up to now is 81.1 secs Computing kpt #: 20 total cpu time spent up to now is 84.3 secs Computing kpt #: 21 total cpu time spent up to now is 87.6 secs Computing kpt #: 22 total cpu time spent up to now is 90.9 secs Computing kpt #: 23 total cpu time spent up to now is 93.7 secs Computing kpt #: 24 total cpu time spent up to now is 96.5 secs Computing kpt #: 25 total cpu time spent up to now is 99.2 secs Computing kpt #: 26 total cpu time spent up to now is 102.9 secs Computing kpt #: 27 total cpu time spent up to now is 106.1 secs Computing kpt #: 28 total cpu time spent up to now is 109.8 secs Computing kpt #: 29 total cpu time spent up to now is 113.4 secs Computing kpt #: 30 total cpu time spent up to now is 116.4 secs Computing kpt #: 31 total cpu time spent up to now is 119.1 secs Computing kpt #: 32 total cpu time spent up to now is 122.0 secs Computing kpt #: 33 total cpu time spent up to now is 125.1 secs Computing kpt #: 34 total cpu time spent up to now is 128.1 secs Computing kpt #: 35 total cpu time spent up to now is 131.1 secs Computing kpt #: 36 total cpu time spent up to now is 134.0 secs Computing kpt #: 37 total cpu time spent up to now is 137.0 secs Computing kpt #: 38 total cpu time spent up to now is 140.0 secs Computing kpt #: 39 total cpu time spent up to now is 142.8 secs Computing kpt #: 40 total cpu time spent up to now is 145.7 secs Computing kpt #: 41 total cpu time spent up to now is 148.4 secs Computing kpt #: 42 total cpu time spent up to now is 151.2 secs Computing kpt #: 43 total cpu time spent up to now is 154.2 secs Computing kpt #: 44 total cpu time spent up to now is 156.9 secs Computing kpt #: 45 total cpu time spent up to now is 159.8 secs Computing kpt #: 46 total cpu time spent up to now is 162.4 secs Computing kpt #: 47 total cpu time spent up to now is 165.2 secs Computing kpt #: 48 total cpu time spent up to now is 168.0 secs Computing kpt #: 49 total cpu time spent up to now is 171.0 secs Computing kpt #: 50 total cpu time spent up to now is 173.8 secs Computing kpt #: 51 total cpu time spent up to now is 176.8 secs Computing kpt #: 52 total cpu time spent up to now is 179.9 secs Computing kpt #: 53 total cpu time spent up to now is 182.8 secs Computing kpt #: 54 total cpu time spent up to now is 185.6 secs Computing kpt #: 55 total cpu time spent up to now is 188.2 secs Computing kpt #: 56 total cpu time spent up to now is 190.8 secs Computing kpt #: 57 total cpu time spent up to now is 193.3 secs Computing kpt #: 58 total cpu time spent up to now is 195.8 secs Computing kpt #: 59 total cpu time spent up to now is 198.4 secs Computing kpt #: 60 total cpu time spent up to now is 201.0 secs Computing kpt #: 61 total cpu time spent up to now is 203.4 secs Computing kpt #: 62 total cpu time spent up to now is 205.8 secs Computing kpt #: 63 total cpu time spent up to now is 209.4 secs Computing kpt #: 64 total cpu time spent up to now is 211.9 secs Computing kpt #: 65 total cpu time spent up to now is 214.3 secs Computing kpt #: 66 total cpu time spent up to now is 216.8 secs Computing kpt #: 67 total cpu time spent up to now is 219.6 secs Computing kpt #: 68 total cpu time spent up to now is 222.4 secs Computing kpt #: 69 total cpu time spent up to now is 225.0 secs Computing kpt #: 70 total cpu time spent up to now is 227.6 secs Computing kpt #: 71 total cpu time spent up to now is 230.3 secs Computing kpt #: 72 total cpu time spent up to now is 232.9 secs Computing kpt #: 73 total cpu time spent up to now is 235.6 secs Computing kpt #: 74 total cpu time spent up to now is 238.4 secs Computing kpt #: 75 total cpu time spent up to now is 241.3 secs Computing kpt #: 76 total cpu time spent up to now is 244.3 secs Computing kpt #: 77 total cpu time spent up to now is 247.7 secs Computing kpt #: 78 total cpu time spent up to now is 251.6 secs Computing kpt #: 79 total cpu time spent up to now is 254.6 secs Computing kpt #: 80 total cpu time spent up to now is 258.6 secs Computing kpt #: 81 total cpu time spent up to now is 262.1 secs Computing kpt #: 82 total cpu time spent up to now is 265.4 secs Computing kpt #: 83 total cpu time spent up to now is 268.8 secs Computing kpt #: 84 total cpu time spent up to now is 272.1 secs Computing kpt #: 85 total cpu time spent up to now is 275.4 secs Computing kpt #: 86 total cpu time spent up to now is 278.7 secs Computing kpt #: 87 total cpu time spent up to now is 281.6 secs Computing kpt #: 88 total cpu time spent up to now is 284.3 secs Computing kpt #: 89 total cpu time spent up to now is 287.2 secs Computing kpt #: 90 total cpu time spent up to now is 290.0 secs Computing kpt #: 91 total cpu time spent up to now is 293.2 secs Computing kpt #: 92 total cpu time spent up to now is 296.6 secs Computing kpt #: 93 total cpu time spent up to now is 300.0 secs Computing kpt #: 94 total cpu time spent up to now is 303.4 secs Computing kpt #: 95 total cpu time spent up to now is 306.3 secs Computing kpt #: 96 total cpu time spent up to now is 309.5 secs Computing kpt #: 97 total cpu time spent up to now is 312.3 secs Computing kpt #: 98 total cpu time spent up to now is 316.0 secs Computing kpt #: 99 total cpu time spent up to now is 319.6 secs Computing kpt #: 100 total cpu time spent up to now is 322.9 secs Computing kpt #: 101 total cpu time spent up to now is 326.5 secs Computing kpt #: 102 total cpu time spent up to now is 329.8 secs Computing kpt #: 103 total cpu time spent up to now is 333.3 secs Computing kpt #: 104 total cpu time spent up to now is 337.8 secs Computing kpt #: 105 total cpu time spent up to now is 342.6 secs Computing kpt #: 106 total cpu time spent up to now is 347.1 secs Computing kpt #: 107 total cpu time spent up to now is 351.6 secs Computing kpt #: 108 total cpu time spent up to now is 356.0 secs Computing kpt #: 109 total cpu time spent up to now is 360.4 secs Computing kpt #: 110 total cpu time spent up to now is 364.5 secs Computing kpt #: 111 total cpu time spent up to now is 368.1 secs Computing kpt #: 112 total cpu time spent up to now is 371.7 secs Computing kpt #: 113 total cpu time spent up to now is 375.3 secs Computing kpt #: 114 total cpu time spent up to now is 378.9 secs Computing kpt #: 115 total cpu time spent up to now is 382.8 secs Computing kpt #: 116 total cpu time spent up to now is 387.2 secs Computing kpt #: 117 total cpu time spent up to now is 392.6 secs Computing kpt #: 118 total cpu time spent up to now is 398.2 secs Computing kpt #: 119 total cpu time spent up to now is 404.0 secs Computing kpt #: 120 total cpu time spent up to now is 410.0 secs Computing kpt #: 121 total cpu time spent up to now is 415.4 secs Computing kpt #: 122 total cpu time spent up to now is 420.6 secs Computing kpt #: 123 total cpu time spent up to now is 426.6 secs Computing kpt #: 124 total cpu time spent up to now is 431.3 secs Computing kpt #: 125 total cpu time spent up to now is 436.1 secs Computing kpt #: 126 total cpu time spent up to now is 443.1 secs Computing kpt #: 127 total cpu time spent up to now is 449.1 secs Computing kpt #: 128 total cpu time spent up to now is 454.0 secs Computing kpt #: 129 total cpu time spent up to now is 458.2 secs Computing kpt #: 130 total cpu time spent up to now is 462.7 secs Computing kpt #: 131 total cpu time spent up to now is 465.8 secs Computing kpt #: 132 total cpu time spent up to now is 470.1 secs Computing kpt #: 133 total cpu time spent up to now is 474.2 secs Computing kpt #: 134 total cpu time spent up to now is 478.5 secs Computing kpt #: 135 total cpu time spent up to now is 482.4 secs Computing kpt #: 136 total cpu time spent up to now is 486.3 secs Computing kpt #: 137 total cpu time spent up to now is 490.3 secs Computing kpt #: 138 total cpu time spent up to now is 494.1 secs Computing kpt #: 139 total cpu time spent up to now is 497.8 secs Computing kpt #: 140 total cpu time spent up to now is 501.2 secs Computing kpt #: 141 total cpu time spent up to now is 504.7 secs Computing kpt #: 142 total cpu time spent up to now is 508.4 secs Computing kpt #: 143 total cpu time spent up to now is 512.0 secs Computing kpt #: 144 total cpu time spent up to now is 516.8 secs Computing kpt #: 145 total cpu time spent up to now is 522.0 secs Computing kpt #: 146 total cpu time spent up to now is 525.6 secs Computing kpt #: 147 total cpu time spent up to now is 529.0 secs Computing kpt #: 148 total cpu time spent up to now is 532.3 secs Computing kpt #: 149 total cpu time spent up to now is 535.1 secs Computing kpt #: 150 total cpu time spent up to now is 538.4 secs Computing kpt #: 151 total cpu time spent up to now is 541.6 secs Computing kpt #: 152 total cpu time spent up to now is 544.5 secs Computing kpt #: 153 total cpu time spent up to now is 547.8 secs Computing kpt #: 154 total cpu time spent up to now is 550.8 secs Computing kpt #: 155 total cpu time spent up to now is 553.8 secs Computing kpt #: 156 total cpu time spent up to now is 556.9 secs Computing kpt #: 157 total cpu time spent up to now is 560.2 secs Computing kpt #: 158 total cpu time spent up to now is 563.7 secs Computing kpt #: 159 total cpu time spent up to now is 566.8 secs Computing kpt #: 160 total cpu time spent up to now is 569.8 secs Computing kpt #: 161 total cpu time spent up to now is 572.7 secs Computing kpt #: 162 total cpu time spent up to now is 575.5 secs Computing kpt #: 163 total cpu time spent up to now is 578.4 secs Computing kpt #: 164 total cpu time spent up to now is 581.3 secs Computing kpt #: 165 total cpu time spent up to now is 583.9 secs Computing kpt #: 166 total cpu time spent up to now is 586.4 secs Computing kpt #: 167 total cpu time spent up to now is 589.6 secs Computing kpt #: 168 total cpu time spent up to now is 592.8 secs Computing kpt #: 169 total cpu time spent up to now is 596.0 secs Computing kpt #: 170 total cpu time spent up to now is 599.0 secs Computing kpt #: 171 total cpu time spent up to now is 602.3 secs Computing kpt #: 172 total cpu time spent up to now is 605.5 secs Computing kpt #: 173 total cpu time spent up to now is 608.3 secs Computing kpt #: 174 total cpu time spent up to now is 611.4 secs Computing kpt #: 175 total cpu time spent up to now is 614.6 secs Computing kpt #: 176 total cpu time spent up to now is 617.6 secs Computing kpt #: 177 total cpu time spent up to now is 620.5 secs Computing kpt #: 178 total cpu time spent up to now is 623.2 secs Computing kpt #: 179 total cpu time spent up to now is 626.1 secs Computing kpt #: 180 total cpu time spent up to now is 628.9 secs Computing kpt #: 181 total cpu time spent up to now is 631.9 secs Computing kpt #: 182 total cpu time spent up to now is 634.9 secs Computing kpt #: 183 total cpu time spent up to now is 638.0 secs Computing kpt #: 184 total cpu time spent up to now is 641.0 secs Computing kpt #: 185 total cpu time spent up to now is 644.0 secs Computing kpt #: 186 total cpu time spent up to now is 646.9 secs Computing kpt #: 187 total cpu time spent up to now is 650.2 secs Computing kpt #: 188 total cpu time spent up to now is 653.1 secs Computing kpt #: 189 total cpu time spent up to now is 656.0 secs Computing kpt #: 190 total cpu time spent up to now is 658.6 secs Computing kpt #: 191 total cpu time spent up to now is 661.5 secs Computing kpt #: 192 total cpu time spent up to now is 664.2 secs Computing kpt #: 193 total cpu time spent up to now is 666.9 secs Computing kpt #: 194 total cpu time spent up to now is 669.7 secs Computing kpt #: 195 total cpu time spent up to now is 672.4 secs Computing kpt #: 196 total cpu time spent up to now is 675.6 secs Computing kpt #: 197 total cpu time spent up to now is 678.3 secs Computing kpt #: 198 total cpu time spent up to now is 680.9 secs Computing kpt #: 199 total cpu time spent up to now is 684.0 secs Computing kpt #: 200 total cpu time spent up to now is 687.5 secs Computing kpt #: 201 total cpu time spent up to now is 691.1 secs Computing kpt #: 202 total cpu time spent up to now is 694.7 secs Computing kpt #: 203 total cpu time spent up to now is 698.5 secs Computing kpt #: 204 total cpu time spent up to now is 702.0 secs Computing kpt #: 205 total cpu time spent up to now is 705.0 secs Computing kpt #: 206 total cpu time spent up to now is 708.2 secs Computing kpt #: 207 total cpu time spent up to now is 711.1 secs Computing kpt #: 208 total cpu time spent up to now is 714.2 secs Computing kpt #: 209 total cpu time spent up to now is 718.2 secs Computing kpt #: 210 total cpu time spent up to now is 721.7 secs Computing kpt #: 211 total cpu time spent up to now is 724.7 secs Computing kpt #: 212 total cpu time spent up to now is 727.7 secs Computing kpt #: 213 total cpu time spent up to now is 730.5 secs Computing kpt #: 214 total cpu time spent up to now is 733.3 secs Computing kpt #: 215 total cpu time spent up to now is 736.2 secs Computing kpt #: 216 total cpu time spent up to now is 738.9 secs Computing kpt #: 217 total cpu time spent up to now is 741.8 secs Computing kpt #: 218 total cpu time spent up to now is 744.8 secs Computing kpt #: 219 total cpu time spent up to now is 747.6 secs Computing kpt #: 220 total cpu time spent up to now is 750.5 secs Computing kpt #: 221 total cpu time spent up to now is 753.5 secs Computing kpt #: 222 total cpu time spent up to now is 756.3 secs Computing kpt #: 223 total cpu time spent up to now is 759.1 secs Computing kpt #: 224 total cpu time spent up to now is 761.9 secs Computing kpt #: 225 total cpu time spent up to now is 764.4 secs Computing kpt #: 226 total cpu time spent up to now is 767.0 secs Computing kpt #: 227 total cpu time spent up to now is 769.8 secs Computing kpt #: 228 total cpu time spent up to now is 772.5 secs Computing kpt #: 229 total cpu time spent up to now is 775.2 secs Computing kpt #: 230 total cpu time spent up to now is 778.6 secs Computing kpt #: 231 total cpu time spent up to now is 782.0 secs Computing kpt #: 232 total cpu time spent up to now is 786.4 secs Computing kpt #: 233 total cpu time spent up to now is 791.1 secs Computing kpt #: 234 total cpu time spent up to now is 795.7 secs Computing kpt #: 235 total cpu time spent up to now is 799.6 secs Computing kpt #: 236 total cpu time spent up to now is 803.5 secs Computing kpt #: 237 total cpu time spent up to now is 808.3 secs Computing kpt #: 238 total cpu time spent up to now is 812.5 secs Computing kpt #: 239 total cpu time spent up to now is 816.8 secs Computing kpt #: 240 total cpu time spent up to now is 821.2 secs Computing kpt #: 241 total cpu time spent up to now is 825.0 secs Computing kpt #: 242 total cpu time spent up to now is 828.7 secs Computing kpt #: 243 total cpu time spent up to now is 832.3 secs Computing kpt #: 244 total cpu time spent up to now is 835.8 secs Computing kpt #: 245 total cpu time spent up to now is 839.5 secs Computing kpt #: 246 total cpu time spent up to now is 843.3 secs Computing kpt #: 247 total cpu time spent up to now is 847.2 secs Computing kpt #: 248 total cpu time spent up to now is 851.0 secs Computing kpt #: 249 total cpu time spent up to now is 854.9 secs Computing kpt #: 250 total cpu time spent up to now is 859.1 secs Computing kpt #: 251 total cpu time spent up to now is 862.7 secs Computing kpt #: 252 total cpu time spent up to now is 866.8 secs Computing kpt #: 253 total cpu time spent up to now is 873.0 secs Computing kpt #: 254 total cpu time spent up to now is 878.7 secs Computing kpt #: 255 total cpu time spent up to now is 881.5 secs Computing kpt #: 256 total cpu time spent up to now is 884.4 secs Computing kpt #: 257 total cpu time spent up to now is 887.1 secs Computing kpt #: 258 total cpu time spent up to now is 889.9 secs Computing kpt #: 259 total cpu time spent up to now is 892.8 secs Computing kpt #: 260 total cpu time spent up to now is 895.6 secs Computing kpt #: 261 total cpu time spent up to now is 898.4 secs Computing kpt #: 262 total cpu time spent up to now is 901.3 secs Computing kpt #: 263 total cpu time spent up to now is 904.2 secs ethr = 2.08E-08, avg # of iterations = 26.6 total cpu time spent up to now is 904.2 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8343 PWs) bands (ev): -11.4744 -11.4744 -11.4577 -11.4577 -8.9379 -8.9379 -8.9115 -8.9115 -8.8975 -8.8975 -6.1906 -6.1906 -5.7879 -5.7879 -5.3411 -5.3411 -4.3810 -4.3810 -2.1499 -2.1499 -0.7700 -0.7700 0.1947 0.1947 4.0272 4.0272 4.2074 4.2074 4.7079 4.7079 4.7432 4.7432 4.9474 4.9474 5.0960 5.0960 5.1783 5.1783 5.2245 5.2245 5.7761 5.7761 5.8525 5.8525 5.9752 5.9752 6.6719 6.6719 6.9269 6.9269 7.2418 7.2418 7.7856 7.7856 7.9075 7.9075 8.0189 8.0189 k = 0.0119-0.0373-0.0219 ( 8344 PWs) bands (ev): -11.4744 -11.4744 -11.4577 -11.4577 -8.9379 -8.9379 -8.9115 -8.9115 -8.8975 -8.8975 -6.1894 -6.1894 -5.7868 -5.7868 -5.3400 -5.3400 -4.3803 -4.3803 -2.1493 -2.1493 -0.7715 -0.7715 0.1929 0.1929 4.0199 4.0199 4.1998 4.1998 4.7068 4.7068 4.7309 4.7309 4.9465 4.9465 5.0759 5.0759 5.1926 5.1926 5.2279 5.2279 5.7534 5.7534 5.8428 5.8428 6.0098 6.0098 6.6777 6.6777 6.9257 6.9257 7.2387 7.2387 7.7726 7.7726 7.9233 7.9233 7.9627 7.9627 k = 0.0238-0.0746-0.0437 ( 8338 PWs) bands (ev): -11.4743 -11.4743 -11.4577 -11.4577 -8.9379 -8.9379 -8.9117 -8.9117 -8.8975 -8.8975 -6.1857 -6.1857 -5.7833 -5.7833 -5.3366 -5.3366 -4.3781 -4.3781 -2.1477 -2.1477 -0.7759 -0.7759 0.1875 0.1875 3.9984 3.9984 4.1783 4.1783 4.6941 4.6941 4.7046 4.7046 4.9387 4.9387 5.0321 5.0321 5.2133 5.2133 5.2484 5.2484 5.7123 5.7123 5.8173 5.8173 6.0826 6.0826 6.6862 6.6862 6.9270 6.9270 7.2335 7.2335 7.7482 7.7482 7.8994 7.8994 7.9686 7.9686 k = 0.0357-0.1118-0.0656 ( 8332 PWs) bands (ev): -11.4743 -11.4743 -11.4577 -11.4577 -8.9378 -8.9378 -8.9119 -8.9119 -8.8974 -8.8974 -6.1796 -6.1796 -5.7776 -5.7776 -5.3311 -5.3311 -4.3745 -4.3745 -2.1451 -2.1451 -0.7833 -0.7833 0.1785 0.1785 3.9643 3.9643 4.1452 4.1452 4.6398 4.6398 4.6952 4.6952 4.9102 4.9102 4.9883 4.9883 5.2195 5.2195 5.2974 5.2974 5.6720 5.6720 5.7865 5.7865 6.1597 6.1597 6.6782 6.6782 6.9400 6.9400 7.2388 7.2388 7.7255 7.7255 7.8622 7.8622 8.0132 8.0132 k = 0.0476-0.1491-0.0875 ( 8327 PWs) bands (ev): -11.4743 -11.4743 -11.4578 -11.4578 -8.9378 -8.9378 -8.9122 -8.9122 -8.8973 -8.8973 -6.1710 -6.1710 -5.7695 -5.7695 -5.3235 -5.3235 -4.3695 -4.3695 -2.1414 -2.1414 -0.7937 -0.7937 0.1658 0.1658 3.9195 3.9195 4.1033 4.1033 4.5665 4.5665 4.6787 4.6787 4.8535 4.8535 4.9617 4.9617 5.2183 5.2183 5.3603 5.3603 5.6330 5.6330 5.7622 5.7622 6.2197 6.2197 6.6513 6.6513 6.9594 6.9594 7.2724 7.2724 7.7068 7.7068 7.8449 7.8449 8.0586 8.0586 k = 0.0595-0.1864-0.1094 ( 8337 PWs) bands (ev): -11.4742 -11.4742 -11.4578 -11.4578 -8.9378 -8.9378 -8.9125 -8.9125 -8.8972 -8.8972 -6.1600 -6.1600 -5.7592 -5.7592 -5.3136 -5.3136 -4.3632 -4.3632 -2.1368 -2.1368 -0.8071 -0.8071 0.1492 0.1492 3.8660 3.8660 4.0551 4.0551 4.4769 4.4769 4.6523 4.6523 4.7861 4.7861 4.9442 4.9442 5.2090 5.2090 5.4227 5.4227 5.6024 5.6024 5.7491 5.7491 6.2391 6.2391 6.6291 6.6291 6.9712 6.9712 7.3433 7.3433 7.6935 7.6935 7.8460 7.8460 8.1004 8.1004 k = 0.0714-0.2237-0.1312 ( 8337 PWs) bands (ev): -11.4741 -11.4741 -11.4579 -11.4579 -8.9378 -8.9378 -8.9129 -8.9129 -8.8970 -8.8970 -6.1466 -6.1466 -5.7465 -5.7465 -5.3016 -5.3016 -4.3554 -4.3554 -2.1314 -2.1314 -0.8234 -0.8234 0.1288 0.1288 3.8052 3.8052 4.0022 4.0022 4.3751 4.3751 4.6152 4.6152 4.7191 4.7191 4.9288 4.9288 5.1884 5.1884 5.4545 5.4545 5.6115 5.6115 5.7444 5.7444 6.2026 6.2026 6.6325 6.6325 6.9759 6.9759 7.4401 7.4401 7.6917 7.6917 7.8607 7.8607 8.1347 8.1347 k = 0.0833-0.2610-0.1531 ( 8336 PWs) bands (ev): -11.4741 -11.4741 -11.4580 -11.4580 -8.9378 -8.9378 -8.9134 -8.9134 -8.8969 -8.8969 -6.1307 -6.1307 -5.7317 -5.7317 -5.2875 -5.2875 -4.3464 -4.3464 -2.1252 -2.1252 -0.8426 -0.8426 0.1045 0.1045 3.7375 3.7375 3.9463 3.9463 4.2673 4.2673 4.5688 4.5688 4.6542 4.6542 4.9113 4.9113 5.1552 5.1552 5.4449 5.4449 5.6701 5.6701 5.7461 5.7461 6.1238 6.1238 6.6515 6.6515 6.9832 6.9832 7.5354 7.5354 7.7150 7.7150 7.8854 7.8854 8.1592 8.1592 k = 0.0952-0.2982-0.1750 ( 8339 PWs) bands (ev): -11.4740 -11.4740 -11.4581 -11.4581 -8.9378 -8.9378 -8.9139 -8.9139 -8.8967 -8.8967 -6.1124 -6.1124 -5.7145 -5.7145 -5.2712 -5.2712 -4.3361 -4.3361 -2.1184 -2.1184 -0.8648 -0.8648 0.0761 0.0761 3.6623 3.6623 3.8888 3.8888 4.1600 4.1600 4.5151 4.5151 4.5905 4.5905 4.8865 4.8865 5.1138 5.1138 5.4242 5.4242 5.7190 5.7190 5.7743 5.7743 6.0281 6.0281 6.6652 6.6652 7.0014 7.0014 7.5973 7.5973 7.7742 7.7742 7.9238 7.9238 8.1776 8.1776 k = 0.1071-0.3355-0.1968 ( 8328 PWs) bands (ev): -11.4739 -11.4739 -11.4582 -11.4582 -8.9379 -8.9379 -8.9145 -8.9145 -8.8964 -8.8964 -6.0918 -6.0918 -5.6952 -5.6952 -5.2530 -5.2530 -4.3245 -4.3245 -2.1110 -2.1110 -0.8900 -0.8900 0.0437 0.0437 3.5782 3.5782 3.8307 3.8307 4.0588 4.0588 4.4560 4.4560 4.5269 4.5269 4.8478 4.8478 5.0732 5.0732 5.4021 5.4021 5.7239 5.7239 5.8210 5.8210 5.9552 5.9552 6.6629 6.6629 7.0334 7.0334 7.6324 7.6324 7.8256 7.8256 7.9912 7.9912 8.2063 8.2063 k = 0.1190-0.3728-0.2187 ( 8320 PWs) bands (ev): -11.4738 -11.4738 -11.4583 -11.4583 -8.9380 -8.9380 -8.9150 -8.9150 -8.8962 -8.8962 -6.0687 -6.0687 -5.6736 -5.6736 -5.2327 -5.2327 -4.3118 -4.3118 -2.1034 -2.1034 -0.9181 -0.9181 0.0073 0.0073 3.4846 3.4846 3.7722 3.7722 3.9681 3.9681 4.3922 4.3922 4.4632 4.4632 4.7920 4.7920 5.0403 5.0403 5.3760 5.3760 5.7189 5.7189 5.7704 5.7704 5.9891 5.9891 6.6448 6.6448 7.0756 7.0756 7.6615 7.6615 7.8387 7.8387 8.0645 8.0645 8.2771 8.2771 k = 0.1310-0.4101-0.2406 ( 8329 PWs) bands (ev): -11.4737 -11.4737 -11.4584 -11.4584 -8.9381 -8.9381 -8.9156 -8.9156 -8.8959 -8.8959 -6.0434 -6.0434 -5.6498 -5.6498 -5.2104 -5.2104 -4.2980 -4.2980 -2.0956 -2.0956 -0.9493 -0.9493 -0.0329 -0.0329 3.3821 3.3821 3.7118 3.7118 3.8915 3.8915 4.3242 4.3242 4.3995 4.3995 4.7219 4.7219 5.0149 5.0149 5.3409 5.3409 5.6839 5.6839 5.7104 5.7104 6.0653 6.0653 6.6151 6.6151 7.1232 7.1232 7.6883 7.6883 7.8317 7.8317 8.1117 8.1117 8.3994 8.3994 k = 0.1429-0.4473-0.2625 ( 8317 PWs) bands (ev): -11.4736 -11.4736 -11.4585 -11.4585 -8.9384 -8.9384 -8.9162 -8.9162 -8.8955 -8.8955 -6.0157 -6.0157 -5.6239 -5.6239 -5.1862 -5.1862 -4.2832 -4.2832 -2.0878 -2.0878 -0.9836 -0.9836 -0.0767 -0.0767 3.2728 3.2728 3.6474 3.6474 3.8309 3.8309 4.2520 4.2520 4.3363 4.3363 4.6438 4.6438 4.9926 4.9926 5.2925 5.2925 5.6075 5.6075 5.6988 5.6988 6.1392 6.1392 6.5777 6.5777 7.1720 7.1720 7.7049 7.7049 7.8284 7.8284 8.1455 8.1455 8.5385 8.5385 k = 0.1548-0.4846-0.2843 ( 8322 PWs) bands (ev): -11.4735 -11.4735 -11.4586 -11.4586 -8.9387 -8.9387 -8.9167 -8.9167 -8.8952 -8.8952 -5.9857 -5.9857 -5.5959 -5.5959 -5.1601 -5.1601 -4.2674 -4.2674 -2.0803 -2.0803 -1.0209 -1.0209 -0.1240 -0.1240 3.1595 3.1595 3.5777 3.5777 3.7854 3.7854 4.1758 4.1758 4.2740 4.2740 4.5629 4.5629 4.9687 4.9687 5.2309 5.2309 5.5477 5.5477 5.6852 5.6852 6.2003 6.2003 6.5356 6.5356 7.2199 7.2199 7.7033 7.7033 7.8473 7.8473 8.1754 8.1754 8.6279 8.6279 k = 0.1667-0.5219-0.3062 ( 8326 PWs) bands (ev): -11.4733 -11.4733 -11.4588 -11.4588 -8.9391 -8.9391 -8.9172 -8.9172 -8.8948 -8.8948 -5.9534 -5.9534 -5.5658 -5.5658 -5.1323 -5.1323 -4.2508 -4.2508 -2.0734 -2.0734 -1.0614 -1.0614 -0.1743 -0.1743 3.0447 3.0447 3.5032 3.5032 3.7516 3.7516 4.0972 4.0972 4.2129 4.2129 4.4828 4.4828 4.9380 4.9380 5.1635 5.1635 5.5020 5.5020 5.6700 5.6700 6.2416 6.2416 6.4910 6.4910 7.2660 7.2660 7.6962 7.6962 7.8842 7.8842 8.2032 8.2032 8.6736 8.6736 k = 0.1786-0.5592-0.3281 ( 8327 PWs) bands (ev): -11.4732 -11.4732 -11.4589 -11.4589 -8.9396 -8.9396 -8.9176 -8.9176 -8.8944 -8.8944 -5.9189 -5.9189 -5.5336 -5.5336 -5.1028 -5.1028 -4.2335 -4.2335 -2.0673 -2.0673 -1.1051 -1.1051 -0.2272 -0.2272 2.9308 2.9308 3.4247 3.4247 3.7246 3.7246 4.0192 4.0192 4.1533 4.1533 4.4056 4.4056 4.8950 4.8950 5.1010 5.1010 5.4647 5.4647 5.6535 5.6535 6.2576 6.2576 6.4456 6.4456 7.3106 7.3106 7.6996 7.6996 7.9286 7.9286 8.2292 8.2292 8.7095 8.7095 k = 0.1905-0.5965-0.3499 ( 8340 PWs) bands (ev): -11.4731 -11.4731 -11.4590 -11.4590 -8.9403 -8.9403 -8.9180 -8.9180 -8.8939 -8.8939 -5.8822 -5.8822 -5.4994 -5.4994 -5.0716 -5.0716 -4.2156 -4.2156 -2.0622 -2.0622 -1.1521 -1.1521 -0.2823 -0.2823 2.8196 2.8196 3.3424 3.3424 3.6983 3.6983 3.9472 3.9472 4.0955 4.0955 4.3326 4.3326 4.8366 4.8366 5.0505 5.0505 5.4313 5.4313 5.6359 5.6359 6.2456 6.2456 6.4000 6.4000 7.3551 7.3551 7.7208 7.7208 7.9748 7.9748 8.2533 8.2533 8.7395 8.7395 k = 0.2024-0.6337-0.3718 ( 8345 PWs) bands (ev): -11.4730 -11.4730 -11.4592 -11.4592 -8.9410 -8.9410 -8.9183 -8.9183 -8.8934 -8.8934 -5.8433 -5.8433 -5.4633 -5.4633 -5.0390 -5.0390 -4.1972 -4.1972 -2.0585 -2.0585 -1.2024 -1.2024 -0.3391 -0.3391 2.7124 2.7124 3.2561 3.2561 3.6640 3.6640 3.8896 3.8896 4.0402 4.0402 4.2642 4.2642 4.7658 4.7658 5.0117 5.0117 5.3989 5.3989 5.6174 5.6174 6.2081 6.2081 6.3535 6.3535 7.4006 7.4006 7.7608 7.7608 8.0201 8.0201 8.2760 8.2760 8.7641 8.7641 k = 0.2143-0.6710-0.3937 ( 8336 PWs) bands (ev): -11.4729 -11.4729 -11.4593 -11.4593 -8.9418 -8.9418 -8.9185 -8.9185 -8.8929 -8.8929 -5.8023 -5.8023 -5.4252 -5.4252 -5.0049 -5.0049 -4.1785 -4.1785 -2.0564 -2.0564 -1.2559 -1.2559 -0.3971 -0.3971 2.6103 2.6103 3.1654 3.1654 3.6153 3.6153 3.8523 3.8523 3.9894 3.9894 4.2004 4.2004 4.6887 4.6887 4.9797 4.9797 5.3659 5.3659 5.5979 5.5979 6.1509 6.1509 6.3048 6.3048 7.4468 7.4468 7.8173 7.8173 8.0630 8.0630 8.2981 8.2981 8.7834 8.7834 k = 0.2262-0.7083-0.4156 ( 8336 PWs) bands (ev): -11.4728 -11.4728 -11.4594 -11.4594 -8.9428 -8.9428 -8.9187 -8.9187 -8.8924 -8.8924 -5.7593 -5.7593 -5.3854 -5.3854 -4.9695 -4.9695 -4.1597 -4.1597 -2.0563 -2.0563 -1.3128 -1.3128 -0.4558 -0.4558 2.5143 2.5143 3.0700 3.0700 3.5543 3.5543 3.8293 3.8293 3.9471 3.9471 4.1416 4.1416 4.6099 4.6099 4.9507 4.9507 5.3309 5.3309 5.5773 5.5773 6.0799 6.0799 6.2549 6.2549 7.4923 7.4923 7.8861 7.8861 8.1030 8.1030 8.3207 8.3207 8.7979 8.7979 k = 0.2381-0.7456-0.4374 ( 8344 PWs) bands (ev): -11.4727 -11.4727 -11.4595 -11.4595 -8.9438 -8.9438 -8.9188 -8.9188 -8.8918 -8.8918 -5.7143 -5.7143 -5.3437 -5.3437 -4.9330 -4.9330 -4.1408 -4.1408 -2.0584 -2.0584 -1.3728 -1.3728 -0.5146 -0.5146 2.4251 2.4251 2.9701 2.9701 3.4886 3.4886 3.8047 3.8047 3.9212 3.9212 4.0885 4.0885 4.5321 4.5321 4.9223 4.9223 5.2925 5.2925 5.5555 5.5555 6.0008 6.0008 6.2050 6.2050 7.5353 7.5353 7.9615 7.9615 8.1410 8.1410 8.3456 8.3456 8.8081 8.8081 k = 0.2500-0.7829-0.4593 ( 8347 PWs) bands (ev): -11.4727 -11.4727 -11.4596 -11.4596 -8.9449 -8.9449 -8.9188 -8.9188 -8.8913 -8.8913 -5.6674 -5.6674 -5.3004 -5.3004 -4.8954 -4.8954 -4.1222 -4.1222 -2.0629 -2.0629 -1.4359 -1.4359 -0.5731 -0.5731 2.3433 2.3433 2.8663 2.8663 3.4237 3.4237 3.7687 3.7687 3.9127 3.9127 4.0439 4.0439 4.4569 4.4569 4.8932 4.8932 5.2493 5.2493 5.5324 5.5324 5.9193 5.9193 6.1564 6.1564 7.5746 7.5746 8.0342 8.0342 8.1814 8.1814 8.3750 8.3750 8.8145 8.8145 k = 0.2619-0.8201-0.4812 ( 8355 PWs) bands (ev): -11.4726 -11.4726 -11.4597 -11.4597 -8.9460 -8.9460 -8.9188 -8.9188 -8.8907 -8.8907 -5.6187 -5.6187 -5.2555 -5.2555 -4.8571 -4.8571 -4.1040 -4.1040 -2.0701 -2.0701 -1.5020 -1.5020 -0.6309 -0.6309 2.2695 2.2695 2.7595 2.7595 3.3624 3.3624 3.7248 3.7248 3.9060 3.9060 4.0159 4.0159 4.3856 4.3856 4.8624 4.8624 5.1998 5.1998 5.5081 5.5081 5.8411 5.8411 6.1095 6.1095 7.6094 7.6094 8.0910 8.0910 8.2302 8.2302 8.4134 8.4134 8.8181 8.8181 k = 0.2738-0.8574-0.5030 ( 8357 PWs) bands (ev): -11.4725 -11.4725 -11.4598 -11.4598 -8.9472 -8.9472 -8.9188 -8.9188 -8.8901 -8.8901 -5.5682 -5.5682 -5.2091 -5.2091 -4.8180 -4.8180 -4.0866 -4.0866 -2.0801 -2.0801 -1.5706 -1.5706 -0.6876 -0.6876 2.2041 2.2041 2.6510 2.6510 3.3058 3.3058 3.6779 3.6779 3.8841 3.8841 4.0128 4.0128 4.3196 4.3196 4.8286 4.8286 5.1430 5.1430 5.4830 5.4830 5.7707 5.7707 6.0648 6.0648 7.6395 7.6395 8.1263 8.1263 8.2833 8.2833 8.4676 8.4676 8.8199 8.8199 k = 0.2857-0.8947-0.5249 ( 8351 PWs) bands (ev): -11.4725 -11.4725 -11.4599 -11.4599 -8.9483 -8.9483 -8.9188 -8.9188 -8.8895 -8.8895 -5.5161 -5.5161 -5.1613 -5.1613 -4.7785 -4.7785 -4.0700 -4.0700 -2.0928 -2.0928 -1.6417 -1.6417 -0.7430 -0.7430 2.1474 2.1474 2.5419 2.5419 3.2542 3.2542 3.6304 3.6304 3.8498 3.8498 4.0247 4.0247 4.2622 4.2622 4.7899 4.7899 5.0799 5.0799 5.4583 5.4583 5.7110 5.7110 6.0223 6.0223 7.6646 7.6646 8.1471 8.1471 8.3268 8.3268 8.5417 8.5417 8.8214 8.8214 k = 0.2976-0.9320-0.5468 ( 8355 PWs) bands (ev): -11.4725 -11.4725 -11.4599 -11.4599 -8.9495 -8.9495 -8.9187 -8.9187 -8.8888 -8.8888 -5.4624 -5.4624 -5.1123 -5.1123 -4.7387 -4.7387 -4.0547 -4.0547 -2.1083 -2.1083 -1.7147 -1.7147 -0.7967 -0.7967 2.0995 2.0995 2.4337 2.4337 3.2076 3.2076 3.5832 3.5832 3.8119 3.8119 4.0332 4.0332 4.2203 4.2203 4.7437 4.7437 5.0143 5.0143 5.4353 5.4353 5.6622 5.6622 5.9823 5.9823 7.6849 7.6849 8.1601 8.1601 8.3567 8.3567 8.6263 8.6263 8.8263 8.8263 k = 0.3095-0.9693-0.5687 ( 8353 PWs) bands (ev): -11.4724 -11.4724 -11.4600 -11.4600 -8.9507 -8.9507 -8.9186 -8.9186 -8.8882 -8.8882 -5.4073 -5.4073 -5.0622 -5.0622 -4.6989 -4.6989 -4.0410 -4.0410 -2.1264 -2.1264 -1.7892 -1.7892 -0.8486 -0.8486 2.0607 2.0607 2.3273 2.3273 3.1658 3.1658 3.5369 3.5369 3.7741 3.7741 4.0220 4.0220 4.2033 4.2033 4.6871 4.6871 4.9526 4.9526 5.4151 5.4151 5.6229 5.6229 5.9451 5.9451 7.7005 7.7005 8.1689 8.1689 8.3762 8.3762 8.6998 8.6998 8.8423 8.8423 k = 0.3214-1.0065-0.5905 ( 8361 PWs) bands (ev): -11.4724 -11.4724 -11.4600 -11.4600 -8.9519 -8.9519 -8.9185 -8.9185 -8.8876 -8.8876 -5.3510 -5.3510 -5.0113 -5.0113 -4.6594 -4.6594 -4.0291 -4.0291 -2.1469 -2.1469 -1.8648 -1.8648 -0.8986 -0.8986 2.0304 2.0304 2.2243 2.2243 3.1288 3.1288 3.4916 3.4916 3.7376 3.7376 3.9891 3.9891 4.2078 4.2078 4.6205 4.6205 4.9003 4.9003 5.3985 5.3985 5.5910 5.5910 5.9108 5.9108 7.7115 7.7115 8.1752 8.1752 8.3875 8.3875 8.7365 8.7365 8.8641 8.8641 k = 0.3333-1.0438-0.6124 ( 8366 PWs) bands (ev): -11.4724 -11.4724 -11.4601 -11.4601 -8.9531 -8.9531 -8.9184 -8.9184 -8.8870 -8.8870 -5.2936 -5.2936 -4.9597 -4.9597 -4.6203 -4.6203 -4.0193 -4.0193 -2.1694 -2.1694 -1.9410 -1.9410 -0.9465 -0.9465 2.0073 2.0073 2.1268 2.1268 3.0961 3.0961 3.4475 3.4475 3.7029 3.7029 3.9455 3.9455 4.2142 4.2142 4.5519 4.5519 4.8591 4.8591 5.3861 5.3861 5.5647 5.5647 5.8799 5.8799 7.7183 7.7183 8.1798 8.1798 8.3907 8.3907 8.7401 8.7401 8.8377 8.8377 k = 0.3452-1.0811-0.6343 ( 8367 PWs) bands (ev): -11.4724 -11.4724 -11.4601 -11.4601 -8.9542 -8.9542 -8.9183 -8.9183 -8.8864 -8.8864 -5.2353 -5.2353 -4.9077 -4.9077 -4.5820 -4.5820 -4.0121 -4.0121 -2.1935 -2.1935 -2.0172 -2.0172 -0.9924 -0.9924 1.9814 1.9814 2.0454 2.0454 3.0678 3.0678 3.4046 3.4046 3.6703 3.6703 3.8989 3.8989 4.1999 4.1999 4.4987 4.4987 4.8278 4.8278 5.3777 5.3777 5.5425 5.5425 5.8528 5.8528 7.7211 7.7211 8.1827 8.1827 8.3839 8.3839 8.7127 8.7127 8.7896 8.7896 k = 0.3571-1.1184-0.6561 ( 8364 PWs) bands (ev): -11.4724 -11.4724 -11.4601 -11.4601 -8.9553 -8.9553 -8.9182 -8.9182 -8.8859 -8.8859 -5.1764 -5.1764 -4.8557 -4.8557 -4.5447 -4.5447 -4.0077 -4.0077 -2.2187 -2.2187 -2.0927 -2.0927 -1.0360 -1.0360 1.9177 1.9177 2.0154 2.0154 3.0436 3.0436 3.3629 3.3629 3.6399 3.6399 3.8524 3.8524 4.1489 4.1489 4.4766 4.4766 4.8044 4.8044 5.3734 5.3734 5.5236 5.5236 5.8299 5.8299 7.7199 7.7199 8.1832 8.1832 8.3630 8.3630 8.6522 8.6522 8.7688 8.7688 k = 0.3690-1.1556-0.6780 ( 8352 PWs) bands (ev): -11.4725 -11.4725 -11.4601 -11.4601 -8.9563 -8.9563 -8.9180 -8.9180 -8.8853 -8.8853 -5.1170 -5.1170 -4.8040 -4.8040 -4.5089 -4.5089 -4.0064 -4.0064 -2.2447 -2.2447 -2.1666 -2.1666 -1.0773 -1.0773 1.8365 1.8365 2.0171 2.0171 3.0233 3.0233 3.3224 3.3224 3.6117 3.6117 3.8072 3.8072 4.0677 4.0677 4.4799 4.4799 4.7879 4.7879 5.3727 5.3727 5.5073 5.5073 5.8120 5.8120 7.7149 7.7149 8.1788 8.1788 8.3244 8.3244 8.5952 8.5952 8.7596 8.7596 k = 0.3810-1.1929-0.6999 ( 8354 PWs) bands (ev): -11.4725 -11.4725 -11.4601 -11.4601 -8.9573 -8.9573 -8.9179 -8.9179 -8.8848 -8.8848 -5.0576 -5.0576 -4.7531 -4.7531 -4.4749 -4.4749 -4.0084 -4.0084 -2.2723 -2.2723 -2.2367 -2.2367 -1.1162 -1.1162 1.7574 1.7574 2.0306 2.0306 3.0069 3.0069 3.2831 3.2831 3.5855 3.5855 3.7628 3.7628 3.9727 3.9727 4.4933 4.4933 4.7777 4.7777 5.3750 5.3750 5.4932 5.4932 5.7997 5.7997 7.7055 7.7055 8.1609 8.1609 8.2767 8.2767 8.5570 8.5570 8.7531 8.7531 k = 0.3929-1.2302-0.7218 ( 8352 PWs) bands (ev): -11.4725 -11.4725 -11.4601 -11.4601 -8.9581 -8.9581 -8.9178 -8.9178 -8.8844 -8.8844 -4.9985 -4.9985 -4.7035 -4.7035 -4.4429 -4.4429 -4.0138 -4.0138 -2.3166 -2.3166 -2.2868 -2.2868 -1.1525 -1.1525 1.6836 1.6836 2.0528 2.0528 2.9941 2.9941 3.2448 3.2448 3.5610 3.5610 3.7177 3.7177 3.8765 3.8765 4.5075 4.5075 4.7734 4.7734 5.3797 5.3797 5.4809 5.4809 5.7941 5.7941 7.6908 7.6908 8.1140 8.1140 8.2450 8.2450 8.5343 8.5343 8.7477 8.7477 k = 0.4048-1.2675-0.7436 ( 8361 PWs) bands (ev): -11.4725 -11.4725 -11.4601 -11.4601 -8.9589 -8.9589 -8.9178 -8.9178 -8.8839 -8.8839 -4.9401 -4.9401 -4.6558 -4.6558 -4.4133 -4.4133 -4.0226 -4.0226 -2.3799 -2.3799 -2.3131 -2.3131 -1.1860 -1.1860 1.6161 1.6161 2.0824 2.0824 2.9848 2.9848 3.2075 3.2075 3.5372 3.5372 3.6670 3.6670 3.7903 3.7903 4.5184 4.5184 4.7743 4.7743 5.3856 5.3856 5.4703 5.4703 5.7957 5.7957 7.6690 7.6690 8.0458 8.0458 8.2333 8.2333 8.5204 8.5204 8.7431 8.7431 k = 0.4167-1.3048-0.7655 ( 8361 PWs) bands (ev): -11.4726 -11.4726 -11.4601 -11.4601 -8.9597 -8.9597 -8.9177 -8.9177 -8.8835 -8.8835 -4.8830 -4.8830 -4.6107 -4.6107 -4.3865 -4.3865 -4.0347 -4.0347 -2.4415 -2.4415 -2.3349 -2.3349 -1.2165 -1.2165 1.5555 1.5555 2.1184 2.1184 2.9787 2.9787 3.1709 3.1709 3.5105 3.5105 3.6063 3.6063 3.7258 3.7258 4.5250 4.5250 4.7789 4.7789 5.3916 5.3916 5.4611 5.4611 5.8050 5.8050 7.6376 7.6376 7.9775 7.9775 8.2296 8.2296 8.5111 8.5111 8.7391 8.7391 k = 0.4286-1.3420-0.7874 ( 8353 PWs) bands (ev): -11.4726 -11.4726 -11.4601 -11.4601 -8.9603 -8.9603 -8.9176 -8.9176 -8.8832 -8.8832 -4.8281 -4.8281 -4.5692 -4.5692 -4.3629 -4.3629 -4.0494 -4.0494 -2.4983 -2.4983 -2.3540 -2.3540 -1.2437 -1.2437 1.5022 1.5022 2.1596 2.1596 2.9756 2.9756 3.1348 3.1348 3.4686 3.4686 3.5507 3.5507 3.6829 3.6829 4.5280 4.5280 4.7856 4.7856 5.3969 5.3969 5.4531 5.4531 5.8215 5.8215 7.5952 7.5952 7.9208 7.9208 8.2285 8.2285 8.5045 8.5045 8.7357 8.7357 k = 0.4405-1.3793-0.8092 ( 8363 PWs) bands (ev): -11.4726 -11.4726 -11.4601 -11.4601 -8.9609 -8.9609 -8.9175 -8.9175 -8.8829 -8.8829 -4.7762 -4.7762 -4.5322 -4.5322 -4.3426 -4.3426 -4.0662 -4.0662 -2.5490 -2.5490 -2.3703 -2.3703 -1.2673 -1.2673 1.4566 1.4566 2.2044 2.2044 2.9748 2.9748 3.0991 3.0991 3.4034 3.4034 3.5199 3.5199 3.6528 3.6528 4.5284 4.5284 4.7929 4.7929 5.4012 5.4012 5.4461 5.4461 5.8437 5.8437 7.5433 7.5433 7.8793 7.8793 8.2284 8.2284 8.4994 8.4994 8.7328 8.7328 k = 0.4524-1.4166-0.8311 ( 8368 PWs) bands (ev): -11.4726 -11.4726 -11.4601 -11.4601 -8.9613 -8.9613 -8.9175 -8.9175 -8.8827 -8.8827 -4.7286 -4.7286 -4.5008 -4.5008 -4.3259 -4.3259 -4.0837 -4.0837 -2.5925 -2.5925 -2.3838 -2.3838 -1.2872 -1.2872 1.4189 1.4189 2.2509 2.2509 2.9753 2.9753 3.0641 3.0641 3.3338 3.3338 3.5033 3.5033 3.6304 3.6304 4.5275 4.5275 4.7996 4.7996 5.4046 5.4046 5.4398 5.4398 5.8691 5.8691 7.4879 7.4879 7.8512 7.8512 8.2287 8.2287 8.4955 8.4955 8.7305 8.7305 k = 0.4643-1.4539-0.8530 ( 8371 PWs) bands (ev): -11.4727 -11.4727 -11.4601 -11.4601 -8.9617 -8.9617 -8.9175 -8.9175 -8.8825 -8.8825 -4.6872 -4.6872 -4.4760 -4.4760 -4.3130 -4.3130 -4.1005 -4.1005 -2.6277 -2.6277 -2.3943 -2.3943 -1.3029 -1.3029 1.3893 1.3893 2.2958 2.2958 2.9739 2.9739 3.0332 3.0332 3.2733 3.2733 3.4927 3.4927 3.6138 3.6138 4.5259 4.5259 4.8052 4.8052 5.4072 5.4072 5.4344 5.4344 5.8943 5.8943 7.4359 7.4359 7.8331 7.8331 8.2290 8.2290 8.4926 8.4926 8.7287 8.7287 k = 0.4762-1.4912-0.8749 ( 8359 PWs) bands (ev): -11.4727 -11.4727 -11.4601 -11.4601 -8.9619 -8.9619 -8.9174 -8.9174 -8.8823 -8.8823 -4.6543 -4.6543 -4.4584 -4.4584 -4.3038 -4.3038 -4.1146 -4.1146 -2.6537 -2.6537 -2.4018 -2.4018 -1.3143 -1.3143 1.3681 1.3681 2.3349 2.3349 2.9636 2.9636 3.0152 3.0152 3.2273 3.2273 3.4857 3.4857 3.6022 3.6022 4.5245 4.5245 4.8093 4.8093 5.4094 5.4094 5.4298 5.4298 5.9160 5.9160 7.3938 7.3938 7.8218 7.8218 8.2293 8.2293 8.4905 8.4905 8.7275 8.7275 k = 0.4881-1.5284-0.8967 ( 8364 PWs) bands (ev): -11.4727 -11.4727 -11.4601 -11.4601 -8.9621 -8.9621 -8.9174 -8.9174 -8.8822 -8.8822 -4.6327 -4.6327 -4.4483 -4.4483 -4.2984 -4.2984 -4.1241 -4.1241 -2.6696 -2.6696 -2.4064 -2.4064 -1.3212 -1.3212 1.3553 1.3553 2.3624 2.3624 2.9472 2.9472 3.0114 3.0114 3.1987 3.1987 3.4816 3.4816 3.5953 3.5953 4.5235 4.5235 4.8118 4.8118 5.4111 5.4111 5.4265 5.4265 5.9306 5.9306 7.3665 7.3665 7.8157 7.8157 8.2295 8.2295 8.4892 8.4892 8.7267 8.7267 k = 0.5000-1.5657-0.9186 ( 8356 PWs) bands (ev): -11.4727 -11.4727 -11.4600 -11.4600 -8.9621 -8.9621 -8.9174 -8.9174 -8.8822 -8.8822 -4.6252 -4.6252 -4.4450 -4.4450 -4.2966 -4.2966 -4.1274 -4.1274 -2.6750 -2.6750 -2.4079 -2.4079 -1.3235 -1.3235 1.3510 1.3510 2.3724 2.3724 2.9397 2.9397 3.0114 3.0114 3.1889 3.1889 3.4803 3.4803 3.5930 3.5930 4.5231 4.5231 4.8126 4.8126 5.4118 5.4118 5.4252 5.4252 5.9357 5.9357 7.3571 7.3571 7.8138 7.8138 8.2296 8.2296 8.4888 8.4888 8.7265 8.7265 k = 0.5000-1.5657-0.9186 ( 8356 PWs) bands (ev): -11.4727 -11.4727 -11.4600 -11.4600 -8.9621 -8.9621 -8.9174 -8.9174 -8.8822 -8.8822 -4.6252 -4.6252 -4.4450 -4.4450 -4.2966 -4.2966 -4.1274 -4.1274 -2.6750 -2.6750 -2.4079 -2.4079 -1.3235 -1.3235 1.3510 1.3510 2.3724 2.3724 2.9397 2.9397 3.0114 3.0114 3.1889 3.1889 3.4803 3.4803 3.5930 3.5930 4.5231 4.5231 4.8126 4.8126 5.4118 5.4118 5.4252 5.4252 5.9357 5.9357 7.3571 7.3571 7.8138 7.8138 8.2296 8.2296 8.4888 8.4888 8.7265 8.7265 k = 0.5000-1.5431-0.9572 ( 8362 PWs) bands (ev): -11.4727 -11.4727 -11.4601 -11.4601 -8.9621 -8.9621 -8.9174 -8.9174 -8.8822 -8.8822 -4.6243 -4.6243 -4.4442 -4.4442 -4.2958 -4.2958 -4.1267 -4.1267 -2.6750 -2.6750 -2.4090 -2.4090 -1.3248 -1.3248 1.3521 1.3521 2.3732 2.3732 2.9359 2.9359 3.0025 3.0025 3.1814 3.1814 3.4922 3.4922 3.6005 3.6005 4.4985 4.4985 4.8053 4.8053 5.3633 5.3633 5.4979 5.4979 5.9446 5.9446 7.3549 7.3549 7.8087 7.8087 8.1774 8.1774 8.5223 8.5223 8.7521 8.7521 k = 0.5000-1.5205-0.9957 ( 8362 PWs) bands (ev): -11.4726 -11.4726 -11.4601 -11.4601 -8.9619 -8.9619 -8.9176 -8.9176 -8.8823 -8.8823 -4.6217 -4.6217 -4.4419 -4.4419 -4.2934 -4.2934 -4.1246 -4.1246 -2.6750 -2.6750 -2.4124 -2.4124 -1.3286 -1.3286 1.3552 1.3552 2.3753 2.3753 2.9239 2.9239 2.9776 2.9776 3.1639 3.1639 3.5227 3.5227 3.6203 3.6203 4.4371 4.4371 4.7736 4.7736 5.3429 5.3429 5.5887 5.5887 5.9709 5.9709 7.3479 7.3479 7.7937 7.7937 8.0735 8.0735 8.5720 8.5720 8.8283 8.8283 k = 0.5000-1.4978-1.0343 ( 8352 PWs) bands (ev): -11.4726 -11.4726 -11.4601 -11.4601 -8.9617 -8.9617 -8.9178 -8.9178 -8.8824 -8.8824 -4.6173 -4.6173 -4.4381 -4.4381 -4.2895 -4.2895 -4.1212 -4.1212 -2.6751 -2.6751 -2.4180 -2.4180 -1.3350 -1.3350 1.3604 1.3604 2.3787 2.3787 2.9024 2.9024 2.9409 2.9409 3.1458 3.1458 3.5620 3.5620 3.6465 3.6465 4.3609 4.3609 4.7107 4.7107 5.3528 5.3528 5.6831 5.6831 6.0140 6.0140 7.3349 7.3349 7.7678 7.7678 7.9657 7.9657 8.6122 8.6122 8.9385 8.9385 k = 0.5000-1.4752-1.0729 ( 8360 PWs) bands (ev): -11.4725 -11.4725 -11.4602 -11.4602 -8.9613 -8.9613 -8.9181 -8.9181 -8.8825 -8.8825 -4.6112 -4.6112 -4.4329 -4.4329 -4.2840 -4.2840 -4.1163 -4.1163 -2.6752 -2.6752 -2.4259 -2.4259 -1.3437 -1.3437 1.3677 1.3677 2.3832 2.3832 2.8714 2.8714 2.8972 2.8972 3.1333 3.1333 3.5979 3.5979 3.6733 3.6733 4.2886 4.2886 4.6251 4.6251 5.3779 5.3779 5.7755 5.7755 6.0709 6.0709 7.3139 7.3139 7.7258 7.7258 7.8792 7.8792 8.6510 8.6510 9.0609 9.0609 k = 0.5000-1.4526-1.1115 ( 8360 PWs) bands (ev): -11.4724 -11.4724 -11.4603 -11.4603 -8.9609 -8.9609 -8.9185 -8.9185 -8.8826 -8.8826 -4.6035 -4.6035 -4.4263 -4.4263 -4.2769 -4.2769 -4.1102 -4.1102 -2.6756 -2.6756 -2.4360 -2.4360 -1.3548 -1.3548 1.3770 1.3770 2.3885 2.3885 2.8319 2.8319 2.8514 2.8514 3.1283 3.1283 3.6113 3.6113 3.7015 3.7015 4.2363 4.2363 4.5293 4.5293 5.4055 5.4055 5.8609 5.8609 6.1368 6.1368 7.2837 7.2837 7.6645 7.6645 7.8309 7.8309 8.6944 8.6944 9.1823 9.1823 k = 0.5000-1.4299-1.1500 ( 8368 PWs) bands (ev): -11.4723 -11.4723 -11.4604 -11.4604 -8.9604 -8.9604 -8.9190 -8.9190 -8.8828 -8.8828 -4.5941 -4.5941 -4.4183 -4.4183 -4.2684 -4.2684 -4.1028 -4.1028 -2.6762 -2.6762 -2.4484 -2.4484 -1.3682 -1.3682 1.3883 1.3883 2.3941 2.3941 2.7855 2.7855 2.8077 2.8077 3.1299 3.1299 3.5849 3.5849 3.7330 3.7330 4.2148 4.2148 4.4345 4.4345 5.4292 5.4292 5.9339 5.9339 6.2041 6.2041 7.2458 7.2458 7.6018 7.6018 7.8147 7.8147 8.7441 8.7441 9.2945 9.2945 k = 0.5000-1.4073-1.1886 ( 8372 PWs) bands (ev): -11.4721 -11.4721 -11.4605 -11.4605 -8.9598 -8.9598 -8.9195 -8.9195 -8.8829 -8.8829 -4.5831 -4.5831 -4.4091 -4.4091 -4.2583 -4.2583 -4.0942 -4.0942 -2.6773 -2.6773 -2.4629 -2.4629 -1.3835 -1.3835 1.4016 1.4016 2.3993 2.3993 2.7359 2.7359 2.7680 2.7680 3.1366 3.1366 3.5222 3.5222 3.7570 3.7570 4.2200 4.2200 4.3553 4.3553 5.4471 5.4471 5.9890 5.9890 6.2625 6.2625 7.2074 7.2074 7.5564 7.5564 7.8195 7.8195 8.7995 8.7995 9.3905 9.3905 k = 0.5000-1.3847-1.2272 ( 8376 PWs) bands (ev): -11.4720 -11.4720 -11.4607 -11.4607 -8.9591 -8.9591 -8.9202 -8.9202 -8.8831 -8.8831 -4.5706 -4.5706 -4.3989 -4.3989 -4.2468 -4.2468 -4.0845 -4.0845 -2.6788 -2.6788 -2.4795 -2.4795 -1.4007 -1.4007 1.4167 1.4167 2.4032 2.4032 2.6863 2.6863 2.7332 2.7332 3.1470 3.1470 3.4361 3.4361 3.7597 3.7597 4.2242 4.2242 4.3234 4.3234 5.4587 5.4587 6.0218 6.0218 6.2999 6.2999 7.1815 7.1815 7.5361 7.5361 7.8408 7.8408 8.8585 8.8585 9.4644 9.4644 k = 0.5000-1.3620-1.2657 ( 8370 PWs) bands (ev): -11.4718 -11.4718 -11.4609 -11.4609 -8.9583 -8.9583 -8.9209 -8.9209 -8.8833 -8.8833 -4.5566 -4.5566 -4.3877 -4.3877 -4.2338 -4.2338 -4.0738 -4.0738 -2.6811 -2.6811 -2.4982 -2.4982 -1.4195 -1.4195 1.4337 1.4337 2.4046 2.4046 2.6386 2.6386 2.7051 2.7051 3.1590 3.1590 3.3387 3.3387 3.7289 3.7289 4.2131 4.2131 4.3555 4.3555 5.4638 5.4638 6.0300 6.0300 6.3063 6.3063 7.1795 7.1795 7.5433 7.5433 7.8770 7.8770 8.9179 8.9179 9.5119 9.5119 k = 0.5000-1.3394-1.3043 ( 8370 PWs) bands (ev): -11.4716 -11.4716 -11.4610 -11.4610 -8.9575 -8.9575 -8.9218 -8.9218 -8.8835 -8.8835 -4.5413 -4.5413 -4.3757 -4.3757 -4.2195 -4.2195 -4.0623 -4.0623 -2.6841 -2.6841 -2.5188 -2.5188 -1.4396 -1.4396 1.4524 1.4524 2.4023 2.4023 2.5938 2.5938 2.6853 2.6853 3.1636 3.1636 3.2459 3.2459 3.6643 3.6643 4.2189 4.2189 4.4136 4.4136 5.4614 5.4614 6.0142 6.0142 6.2805 6.2805 7.2026 7.2026 7.5792 7.5792 7.9272 7.9272 8.9728 8.9728 9.5333 9.5333 k = 0.5000-1.3168-1.3429 ( 8392 PWs) bands (ev): -11.4714 -11.4714 -11.4612 -11.4612 -8.9565 -8.9565 -8.9227 -8.9227 -8.8837 -8.8837 -4.5247 -4.5247 -4.3631 -4.3631 -4.2040 -4.2040 -4.0501 -4.0501 -2.6881 -2.6881 -2.5412 -2.5412 -1.4607 -1.4607 1.4728 1.4728 2.3957 2.3957 2.5528 2.5528 2.6743 2.6743 3.1054 3.1054 3.2175 3.2175 3.5764 3.5764 4.2442 4.2442 4.4809 4.4809 5.4504 5.4504 5.9774 5.9774 6.2312 6.2312 7.2419 7.2419 7.6438 7.6438 7.9906 7.9906 9.0170 9.0170 9.5333 9.5333 k = 0.5000-1.2942-1.3815 ( 8404 PWs) bands (ev): -11.4712 -11.4712 -11.4614 -11.4614 -8.9556 -8.9556 -8.9237 -8.9237 -8.8838 -8.8838 -4.5069 -4.5069 -4.3500 -4.3500 -4.1872 -4.1872 -4.0373 -4.0373 -2.6932 -2.6932 -2.5651 -2.5651 -1.4824 -1.4824 1.4949 1.4949 2.3850 2.3850 2.5163 2.5163 2.6713 2.6713 3.0085 3.0085 3.2325 3.2325 3.4764 3.4764 4.2808 4.2808 4.5522 4.5522 5.4287 5.4287 5.9239 5.9239 6.1711 6.1711 7.2867 7.2867 7.7345 7.7345 8.0659 8.0659 9.0431 9.0431 9.5197 9.5197 k = 0.5000-1.2715-1.4200 ( 8394 PWs) bands (ev): -11.4710 -11.4710 -11.4616 -11.4616 -8.9545 -8.9545 -8.9247 -8.9247 -8.8840 -8.8840 -4.4882 -4.4882 -4.3368 -4.3368 -4.1694 -4.1694 -4.0242 -4.0242 -2.6995 -2.6995 -2.5905 -2.5905 -1.5042 -1.5042 1.5184 1.5184 2.3711 2.3711 2.4846 2.4846 2.6727 2.6727 2.9143 2.9143 3.2517 3.2517 3.3732 3.3732 4.3228 4.3228 4.6245 4.6245 5.3945 5.3945 5.8584 5.8584 6.1112 6.1112 7.3306 7.3306 7.8464 7.8464 8.1515 8.1515 9.0446 9.0446 9.4990 9.4990 k = 0.5000-1.2489-1.4586 ( 8396 PWs) bands (ev): -11.4708 -11.4708 -11.4618 -11.4618 -8.9534 -8.9534 -8.9259 -8.9259 -8.8841 -8.8841 -4.4685 -4.4685 -4.3237 -4.3237 -4.1507 -4.1507 -4.0111 -4.0111 -2.7071 -2.7071 -2.6169 -2.6169 -1.5258 -1.5258 1.5433 1.5433 2.3545 2.3545 2.4583 2.4583 2.6698 2.6698 2.8362 2.8362 3.2384 3.2384 3.3037 3.3037 4.3663 4.3663 4.6955 4.6955 5.3474 5.3474 5.7848 5.7848 6.0595 6.0595 7.3712 7.3712 7.9734 7.9734 8.2456 8.2456 9.0193 9.0193 9.4731 9.4731 k = 0.5000-1.2263-1.4972 ( 8398 PWs) bands (ev): -11.4706 -11.4706 -11.4620 -11.4620 -8.9523 -8.9523 -8.9270 -8.9270 -8.8842 -8.8842 -4.4482 -4.4482 -4.3109 -4.3109 -4.1312 -4.1312 -3.9982 -3.9982 -2.7160 -2.7160 -2.6439 -2.6439 -1.5468 -1.5468 1.5696 1.5696 2.3352 2.3352 2.4375 2.4375 2.6438 2.6438 2.7949 2.7949 3.1425 3.1425 3.3190 3.3190 4.4086 4.4086 4.7615 4.7615 5.2905 5.2905 5.7068 5.7068 6.0201 6.0201 7.4084 7.4084 8.1100 8.1100 8.3460 8.3460 8.9706 8.9706 9.4391 9.4391 k = 0.5000-1.2036-1.5357 ( 8398 PWs) bands (ev): -11.4704 -11.4704 -11.4622 -11.4622 -8.9512 -8.9511 -8.9283 -8.9283 -8.8843 -8.8843 -4.4275 -4.4275 -4.2988 -4.2988 -4.1113 -4.1113 -3.9859 -3.9859 -2.7261 -2.7261 -2.6712 -2.6712 -1.5667 -1.5667 1.5972 1.5972 2.3111 2.3111 2.4224 2.4224 2.5933 2.5933 2.7948 2.7948 3.0372 3.0372 3.3469 3.3469 4.4475 4.4475 4.8153 4.8153 5.2326 5.2326 5.6278 5.6278 5.9939 5.9939 7.4426 7.4426 8.2516 8.2516 8.4500 8.4500 8.9057 8.9057 9.3931 9.3931 k = 0.5000-1.1810-1.5743 ( 8398 PWs) bands (ev): -11.4702 -11.4702 -11.4624 -11.4624 -8.9500 -8.9500 -8.9295 -8.9295 -8.8844 -8.8844 -4.4064 -4.4064 -4.2876 -4.2876 -4.0911 -4.0911 -3.9746 -3.9746 -2.7373 -2.7373 -2.6979 -2.6979 -1.5852 -1.5852 1.6260 1.6260 2.2788 2.2788 2.4131 2.4131 2.5436 2.5436 2.8148 2.8148 2.9332 2.9332 3.3776 3.3776 4.4805 4.4805 4.8418 4.8418 5.1922 5.1922 5.5515 5.5515 5.9790 5.9790 7.4743 7.4743 8.3937 8.3937 8.5528 8.5528 8.8348 8.8348 9.3336 9.3336 k = 0.5000-1.1584-1.6129 ( 8396 PWs) bands (ev): -11.4700 -11.4700 -11.4626 -11.4626 -8.9488 -8.9488 -8.9308 -8.9308 -8.8845 -8.8845 -4.3854 -4.3854 -4.2777 -4.2777 -4.0710 -4.0710 -3.9648 -3.9648 -2.7496 -2.7496 -2.7233 -2.7233 -1.6019 -1.6019 1.6560 1.6560 2.2357 2.2357 2.4100 2.4100 2.5087 2.5087 2.8315 2.8315 2.8440 2.8440 3.4097 3.4097 4.5047 4.5047 4.8226 4.8226 5.1914 5.1914 5.4819 5.4819 5.9731 5.9731 7.5039 7.5039 8.5240 8.5240 8.6394 8.6394 8.7851 8.7851 9.2623 9.2623 k = 0.5000-1.1357-1.6515 ( 8400 PWs) bands (ev): -11.4698 -11.4698 -11.4627 -11.4627 -8.9476 -8.9476 -8.9320 -8.9320 -8.8845 -8.8845 -4.3646 -4.3646 -4.2696 -4.2696 -4.0513 -4.0513 -3.9568 -3.9568 -2.7635 -2.7635 -2.7457 -2.7457 -1.6165 -1.6165 1.6872 1.6872 2.1835 2.1835 2.4131 2.4131 2.4908 2.4908 2.7344 2.7344 2.8773 2.8773 3.4425 3.4425 4.5165 4.5165 4.7620 4.7620 5.2293 5.2293 5.4231 5.4231 5.9741 5.9741 7.5315 7.5315 8.5621 8.5621 8.7191 8.7191 8.8254 8.8254 9.1841 9.1841 k = 0.5000-1.1131-1.6900 ( 8404 PWs) bands (ev): -11.4697 -11.4697 -11.4629 -11.4629 -8.9465 -8.9465 -8.9333 -8.9333 -8.8845 -8.8845 -4.3445 -4.3445 -4.2637 -4.2637 -4.0323 -4.0323 -3.9514 -3.9514 -2.7798 -2.7798 -2.7628 -2.7628 -1.6288 -1.6288 1.7195 1.7195 2.1271 2.1271 2.4221 2.4221 2.4868 2.4868 2.6416 2.6416 2.9146 2.9146 3.4754 3.4754 4.5110 4.5110 4.6821 4.6821 5.2881 5.2881 5.3793 5.3793 5.9800 5.9800 7.5571 7.5571 8.4925 8.4925 8.8411 8.8411 8.9108 8.9108 9.1128 9.1128 k = 0.5000-1.0905-1.7286 ( 8402 PWs) bands (ev): -11.4695 -11.4695 -11.4630 -11.4630 -8.9454 -8.9454 -8.9344 -8.9344 -8.8845 -8.8845 -4.3254 -4.3254 -4.2604 -4.2604 -4.0144 -4.0144 -3.9488 -3.9488 -2.7970 -2.7970 -2.7748 -2.7748 -1.6386 -1.6386 1.7528 1.7528 2.0709 2.0709 2.4361 2.4361 2.4921 2.4921 2.5555 2.5555 2.9546 2.9546 3.5077 3.5077 4.4812 4.4812 4.6017 4.6017 5.3447 5.3447 5.3643 5.3643 5.9897 5.9897 7.5808 7.5808 8.4017 8.4017 8.9080 8.9080 8.9929 8.9929 9.1100 9.1100 k = 0.5000-1.0679-1.7672 ( 8398 PWs) bands (ev): -11.4695 -11.4695 -11.4631 -11.4631 -8.9444 -8.9444 -8.9354 -8.9354 -8.8846 -8.8846 -4.3077 -4.3077 -4.2601 -4.2601 -3.9980 -3.9980 -3.9497 -3.9497 -2.8118 -2.8118 -2.7833 -2.7833 -1.6458 -1.6458 1.7869 1.7869 2.0184 2.0184 2.4416 2.4416 2.4809 2.4809 2.5130 2.5130 2.9969 2.9969 3.5384 3.5384 4.4207 4.4207 4.5348 4.5348 5.3409 5.3409 5.4317 5.4317 6.0021 6.0021 7.6023 7.6023 8.3065 8.3065 8.8432 8.8432 9.1090 9.1090 9.1995 9.1995 k = 0.5000-1.0452-1.8057 ( 8398 PWs) bands (ev): -11.4694 -11.4694 -11.4631 -11.4631 -8.9437 -8.9437 -8.9362 -8.9362 -8.8846 -8.8846 -4.2923 -4.2923 -4.2633 -4.2633 -3.9836 -3.9836 -3.9541 -3.9541 -2.8225 -2.8225 -2.7884 -2.7884 -1.6503 -1.6503 1.8207 1.8207 1.9724 1.9724 2.3810 2.3810 2.4922 2.4922 2.5314 2.5314 3.0411 3.0411 3.5661 3.5661 4.3384 4.3384 4.4791 4.4791 5.3477 5.3477 5.5062 5.5062 6.0166 6.0166 7.6211 7.6211 8.2117 8.2117 8.7493 8.7493 9.2225 9.2225 9.3118 9.3118 k = 0.5000-1.0226-1.8443 ( 8384 PWs) bands (ev): -11.4694 -11.4694 -11.4632 -11.4632 -8.9434 -8.9434 -8.9365 -8.9365 -8.8846 -8.8846 -4.2816 -4.2816 -4.2685 -4.2685 -3.9731 -3.9731 -3.9604 -3.9604 -2.8282 -2.8282 -2.7896 -2.7896 -1.6522 -1.6522 1.8498 1.8498 1.9384 1.9384 2.3102 2.3102 2.5224 2.5224 2.5573 2.5573 3.0868 3.0868 3.5888 3.5888 4.2500 4.2500 4.4266 4.4266 5.3669 5.3669 5.5813 5.5813 6.0326 6.0326 7.6363 7.6363 8.1198 8.1198 8.6500 8.6500 9.3288 9.3288 9.4263 9.4263 k = 0.5000-1.0000-1.8829 ( 8384 PWs) bands (ev): -11.4694 -11.4694 -11.4632 -11.4632 -8.9435 -8.9435 -8.9364 -8.9364 -8.8846 -8.8846 -4.2871 -4.2871 -4.2655 -4.2655 -3.9789 -3.9789 -3.9564 -3.9564 -2.8282 -2.8282 -2.7865 -2.7865 -1.6513 -1.6513 1.8571 1.8571 1.9339 1.9339 2.2443 2.2443 2.5584 2.5584 2.5882 2.5882 3.1334 3.1334 3.6042 3.6042 4.1632 4.1632 4.3771 4.3771 5.3950 5.3950 5.6560 5.6560 6.0498 6.0498 7.6464 7.6464 8.0336 8.0336 8.5502 8.5502 9.4279 9.4279 9.5359 9.5359 k = 0.8279-0.9489-1.7915 ( 8384 PWs) bands (ev): -11.4694 -11.4694 -11.4632 -11.4632 -8.9435 -8.9435 -8.9364 -8.9364 -8.8846 -8.8846 -4.2871 -4.2871 -4.2655 -4.2655 -3.9789 -3.9789 -3.9564 -3.9564 -2.8282 -2.8282 -2.7865 -2.7865 -1.6513 -1.6513 1.8571 1.8571 1.9339 1.9339 2.2443 2.2443 2.5584 2.5584 2.5882 2.5882 3.1334 3.1334 3.6042 3.6042 4.1632 4.1632 4.3771 4.3771 5.3950 5.3950 5.6560 5.6560 6.0498 6.0498 7.6464 7.6464 8.0336 8.0336 8.5502 8.5502 9.4279 9.4279 9.5359 9.5359 k = 0.8211-0.9275-1.7532 ( 8390 PWs) bands (ev): -11.4694 -11.4694 -11.4631 -11.4631 -8.9440 -8.9440 -8.9358 -8.9358 -8.8846 -8.8846 -4.3035 -4.3035 -4.2606 -4.2606 -3.9942 -3.9942 -3.9482 -3.9482 -2.8223 -2.8223 -2.7786 -2.7786 -1.6476 -1.6476 1.8407 1.8407 1.9603 1.9603 2.1862 2.1862 2.5984 2.5984 2.6229 2.6229 3.1799 3.1799 3.6094 3.6094 4.0822 4.0822 4.3347 4.3347 5.4288 5.4288 5.7288 5.7288 6.0678 6.0678 7.6488 7.6488 7.9571 7.9571 8.4530 8.4530 9.5187 9.5187 9.6336 9.6336 k = 0.8142-0.9061-1.7149 ( 8392 PWs) bands (ev): -11.4695 -11.4695 -11.4631 -11.4631 -8.9448 -8.9448 -8.9350 -8.9350 -8.8846 -8.8846 -4.3257 -4.3257 -4.2602 -4.2602 -4.0127 -4.0127 -3.9414 -3.9414 -2.8102 -2.8102 -2.7657 -2.7657 -1.6412 -1.6412 1.8224 1.8224 1.9928 1.9928 2.1391 2.1391 2.6420 2.6420 2.6608 2.6608 3.2256 3.2256 3.6029 3.6029 4.0082 4.0082 4.3036 4.3036 5.4658 5.4658 5.7995 5.7995 6.0867 6.0867 7.6394 7.6394 7.8945 7.8945 8.3592 8.3592 9.5999 9.5999 9.7105 9.7105 k = 0.8074-0.8847-1.6767 ( 8404 PWs) bands (ev): -11.4696 -11.4696 -11.4630 -11.4630 -8.9456 -8.9456 -8.9341 -8.9341 -8.8846 -8.8846 -4.3532 -4.3532 -4.2662 -4.2662 -4.0325 -4.0325 -3.9363 -3.9363 -2.7921 -2.7921 -2.7478 -2.7478 -1.6321 -1.6321 1.8091 1.8091 2.0122 2.0122 2.1159 2.1159 2.6886 2.6886 2.7012 2.7012 3.2685 3.2685 3.5853 3.5853 3.9417 3.9417 4.2870 4.2870 5.5038 5.5038 5.8669 5.8669 6.1064 6.1064 7.6145 7.6145 7.8505 7.8505 8.2705 8.2705 9.6635 9.6635 9.7518 9.7518 k = 0.8006-0.8633-1.6384 ( 8398 PWs) bands (ev): -11.4697 -11.4697 -11.4629 -11.4629 -8.9464 -8.9464 -8.9331 -8.9331 -8.8846 -8.8846 -4.3856 -4.3856 -4.2801 -4.2801 -4.0521 -4.0521 -3.9331 -3.9331 -2.7682 -2.7682 -2.7250 -2.7250 -1.6201 -1.6201 1.8022 1.8022 1.9999 1.9999 2.1339 2.1339 2.7366 2.7366 2.7438 2.7438 3.3048 3.3048 3.5621 3.5621 3.8829 3.8829 4.2862 4.2862 5.5411 5.5411 5.9298 5.9298 6.1271 6.1271 7.5758 7.5758 7.8239 7.8239 8.1884 8.1884 9.6812 9.6812 9.7842 9.7842 k = 0.7937-0.8419-1.6001 ( 8398 PWs) bands (ev): -11.4698 -11.4698 -11.4627 -11.4627 -8.9472 -8.9472 -8.9321 -8.9321 -8.8847 -8.8847 -4.4227 -4.4227 -4.3028 -4.3028 -4.0704 -4.0704 -3.9316 -3.9316 -2.7388 -2.7388 -2.6974 -2.6974 -1.6053 -1.6053 1.8023 1.8023 1.9732 1.9732 2.1755 2.1755 2.7818 2.7818 2.7904 2.7904 3.3278 3.3278 3.5433 3.5433 3.8329 3.8329 4.2995 4.2995 5.5759 5.5759 5.9864 5.9864 6.1493 6.1493 7.5306 7.5306 7.8078 7.8078 8.1149 8.1149 9.6536 9.6536 9.8314 9.8314 k = 0.7869-0.8205-1.5618 ( 8402 PWs) bands (ev): -11.4700 -11.4700 -11.4626 -11.4626 -8.9480 -8.9480 -8.9311 -8.9311 -8.8848 -8.8848 -4.4641 -4.4641 -4.3340 -4.3340 -4.0871 -4.0871 -3.9320 -3.9320 -2.7046 -2.7046 -2.6655 -2.6655 -1.5876 -1.5876 1.8092 1.8092 1.9476 1.9476 2.2252 2.2252 2.8218 2.8218 2.8402 2.8402 3.3311 3.3311 3.5385 3.5385 3.7952 3.7952 4.3245 4.3245 5.6066 5.6066 6.0350 6.0350 6.1735 6.1735 7.4868 7.4868 7.7948 7.7948 8.0521 8.0521 9.6103 9.6103 9.8753 9.8753 k = 0.7801-0.7991-1.5236 ( 8404 PWs) bands (ev): -11.4701 -11.4701 -11.4625 -11.4625 -8.9487 -8.9487 -8.9301 -8.9301 -8.8849 -8.8849 -4.5091 -4.5091 -4.3729 -4.3729 -4.1026 -4.1026 -3.9341 -3.9341 -2.6659 -2.6659 -2.6296 -2.6296 -1.5670 -1.5670 1.8227 1.8227 1.9273 1.9273 2.2790 2.2790 2.8561 2.8561 2.8887 2.8887 3.3189 3.3189 3.5455 3.5455 3.7755 3.7755 4.3582 4.3582 5.6318 5.6318 6.0740 6.0740 6.1995 6.1995 7.4495 7.4495 7.7804 7.7804 8.0021 8.0021 9.5611 9.5611 9.9090 9.9090 k = 0.7732-0.7778-1.4853 ( 8390 PWs) bands (ev): -11.4702 -11.4702 -11.4623 -11.4623 -8.9493 -8.9493 -8.9292 -8.9292 -8.8850 -8.8850 -4.5574 -4.5574 -4.4181 -4.4181 -4.1180 -4.1180 -3.9380 -3.9380 -2.6234 -2.6234 -2.5903 -2.5903 -1.5433 -1.5433 1.8414 1.8414 1.9147 1.9147 2.3355 2.3355 2.8814 2.8814 2.9326 2.9326 3.3055 3.3055 3.5540 3.5540 3.7796 3.7796 4.3983 4.3983 5.6502 5.6502 6.1038 6.1038 6.2257 6.2257 7.4221 7.4221 7.7629 7.7629 7.9659 7.9659 9.5090 9.5090 9.9297 9.9297 k = 0.7664-0.7564-1.4470 ( 8398 PWs) bands (ev): -11.4704 -11.4704 -11.4622 -11.4622 -8.9498 -8.9498 -8.9283 -8.9283 -8.8851 -8.8851 -4.6084 -4.6084 -4.4682 -4.4682 -4.1339 -4.1339 -3.9438 -3.9438 -2.5775 -2.5775 -2.5479 -2.5479 -1.5167 -1.5167 1.8616 1.8616 1.9140 1.9140 2.3937 2.3937 2.8939 2.8939 2.9680 2.9680 3.3037 3.3037 3.5615 3.5615 3.8067 3.8067 4.4432 4.4432 5.6605 5.6605 6.1257 6.1257 6.2491 6.2491 7.4064 7.4064 7.7440 7.7440 7.9421 7.9421 9.4552 9.4552 9.9359 9.9359 k = 0.7596-0.7350-1.4087 ( 8394 PWs) bands (ev): -11.4705 -11.4705 -11.4620 -11.4620 -8.9502 -8.9502 -8.9274 -8.9274 -8.8853 -8.8853 -4.6616 -4.6616 -4.5219 -4.5219 -4.1512 -4.1512 -3.9514 -3.9514 -2.5288 -2.5288 -2.5030 -2.5030 -1.4870 -1.4870 1.8758 1.8758 1.9323 1.9323 2.4531 2.4531 2.8920 2.8920 2.9915 2.9915 3.3209 3.3209 3.5743 3.5743 3.8500 3.8500 4.4916 4.4916 5.6620 5.6620 6.1415 6.1415 6.2671 6.2671 7.4035 7.4035 7.7275 7.7275 7.9278 7.9278 9.4003 9.4003 9.9264 9.9264 k = 0.7528-0.7136-1.3705 ( 8392 PWs) bands (ev): -11.4707 -11.4707 -11.4619 -11.4619 -8.9505 -8.9505 -8.9266 -8.9266 -8.8855 -8.8855 -4.7166 -4.7166 -4.5784 -4.5784 -4.1701 -4.1701 -3.9609 -3.9609 -2.4778 -2.4778 -2.4560 -2.4560 -1.4543 -1.4543 1.8859 1.8859 1.9680 1.9680 2.5127 2.5127 2.8779 2.8779 3.0025 3.0025 3.3573 3.3573 3.5982 3.5982 3.9032 3.9032 4.5424 4.5424 5.6545 5.6545 6.1522 6.1522 6.2783 6.2783 7.4131 7.4131 7.7166 7.7166 7.9204 7.9204 9.3448 9.3448 9.9004 9.9004 k = 0.7459-0.6922-1.3322 ( 8390 PWs) bands (ev): -11.4708 -11.4708 -11.4617 -11.4617 -8.9507 -8.9507 -8.9259 -8.9259 -8.8857 -8.8857 -4.7729 -4.7729 -4.6368 -4.6368 -4.1910 -4.1910 -3.9721 -3.9721 -2.4251 -2.4251 -2.4074 -2.4074 -1.4186 -1.4186 1.8983 1.8983 2.0140 2.0140 2.5714 2.5714 2.8568 2.8568 3.0037 3.0037 3.4085 3.4085 3.6354 3.6354 3.9627 3.9627 4.5952 4.5952 5.6382 5.6382 6.1577 6.1577 6.2828 6.2828 7.4340 7.4340 7.7131 7.7131 7.9187 7.9187 9.2890 9.2890 9.8579 9.8579 k = 0.7391-0.6708-1.2939 ( 8380 PWs) bands (ev): -11.4710 -11.4710 -11.4616 -11.4616 -8.9508 -8.9508 -8.9252 -8.9252 -8.8860 -8.8860 -4.8302 -4.8302 -4.6965 -4.6965 -4.2140 -4.2140 -3.9851 -3.9851 -2.3710 -2.3710 -2.3575 -2.3575 -1.3798 -1.3798 1.9156 1.9156 2.0673 2.0673 2.6268 2.6268 2.8341 2.8341 3.0000 3.0000 3.4699 3.4699 3.6847 3.6847 4.0262 4.0262 4.6493 4.6493 5.6138 5.6138 6.1574 6.1574 6.2823 6.2823 7.4643 7.4643 7.7172 7.7172 7.9231 7.9231 9.2331 9.2331 9.8012 9.8012 k = 0.7323-0.6494-1.2556 ( 8382 PWs) bands (ev): -11.4711 -11.4711 -11.4614 -11.4614 -8.9508 -8.9508 -8.9245 -8.9245 -8.8863 -8.8863 -4.8881 -4.8881 -4.7570 -4.7570 -4.2389 -4.2389 -3.9998 -3.9998 -2.3165 -2.3165 -2.3067 -2.3067 -1.3380 -1.3380 1.9385 1.9385 2.1269 2.1269 2.6747 2.6747 2.8151 2.8151 2.9973 2.9973 3.5379 3.5379 3.7441 3.7441 4.0928 4.0928 4.7043 4.7043 5.5825 5.5825 6.1501 6.1501 6.2790 6.2790 7.5008 7.5008 7.7277 7.7277 7.9352 7.9352 9.1775 9.1775 9.7341 9.7341 k = 0.7254-0.6280-1.2174 ( 8386 PWs) bands (ev): -11.4712 -11.4712 -11.4613 -11.4613 -8.9507 -8.9507 -8.9239 -8.9239 -8.8866 -8.8866 -4.9462 -4.9462 -4.8179 -4.8179 -4.2656 -4.2656 -4.0162 -4.0162 -2.2628 -2.2628 -2.2544 -2.2544 -1.2932 -1.2932 1.9671 1.9671 2.1920 2.1920 2.7076 2.7076 2.8060 2.8060 3.0026 3.0026 3.6104 3.6104 3.8110 3.8110 4.1618 4.1618 4.7600 4.7600 5.5454 5.5454 6.1350 6.1350 6.2755 6.2755 7.5395 7.5395 7.7439 7.7439 7.9571 7.9571 9.1224 9.1224 9.6604 9.6604 k = 0.7186-0.6066-1.1791 ( 8380 PWs) bands (ev): -11.4713 -11.4713 -11.4612 -11.4612 -8.9505 -8.9505 -8.9233 -8.9233 -8.8869 -8.8869 -5.0044 -5.0044 -4.8788 -4.8788 -4.2941 -4.2941 -4.0341 -4.0341 -2.2114 -2.2114 -2.2001 -2.2001 -1.2454 -1.2454 2.0011 2.0011 2.2620 2.2620 2.7200 2.7200 2.8097 2.8097 3.0221 3.0221 3.6857 3.6857 3.8836 3.8836 4.2327 4.2327 4.8160 4.8160 5.5041 5.5041 6.1125 6.1125 6.2729 6.2729 7.5744 7.5744 7.7671 7.7671 7.9899 7.9899 9.0681 9.0681 9.5825 9.5825 k = 0.7118-0.5852-1.1408 ( 8376 PWs) bands (ev): -11.4714 -11.4714 -11.4610 -11.4610 -8.9502 -8.9502 -8.9228 -8.9228 -8.8873 -8.8873 -5.0623 -5.0623 -4.9395 -4.9395 -4.3242 -4.3242 -4.0534 -4.0534 -2.1620 -2.1620 -2.1449 -2.1449 -1.1948 -1.1948 2.0401 2.0401 2.3360 2.3360 2.7211 2.7211 2.8181 2.8181 3.0581 3.0581 3.7630 3.7630 3.9602 3.9602 4.3053 4.3053 4.8722 4.8722 5.4600 5.4600 6.0842 6.0842 6.2713 6.2713 7.5988 7.5988 7.8014 7.8014 8.0332 8.0332 9.0148 9.0148 9.5020 9.5020 k = 0.7049-0.5638-1.1025 ( 8370 PWs) bands (ev): -11.4716 -11.4716 -11.4609 -11.4609 -8.9498 -8.9498 -8.9224 -8.9224 -8.8877 -8.8877 -5.1198 -5.1198 -4.9997 -4.9997 -4.3555 -4.3555 -4.0741 -4.0741 -2.1145 -2.1145 -2.0897 -2.0897 -1.1413 -1.1413 2.0839 2.0839 2.4131 2.4131 2.7225 2.7225 2.8258 2.8258 3.1069 3.1069 3.8413 3.8413 4.0394 4.0394 4.3793 4.3793 4.9283 4.9283 5.4146 5.4146 6.0522 6.0522 6.2703 6.2703 7.6097 7.6097 7.8486 7.8486 8.0850 8.0850 8.9630 8.9630 9.4200 9.4200 k = 0.6981-0.5425-1.0643 ( 8368 PWs) bands (ev): -11.4717 -11.4717 -11.4608 -11.4608 -8.9493 -8.9493 -8.9220 -8.9220 -8.8881 -8.8881 -5.1766 -5.1766 -5.0591 -5.0591 -4.3880 -4.3880 -4.0959 -4.0959 -2.0689 -2.0689 -2.0353 -2.0353 -1.0850 -1.0850 2.1319 2.1319 2.4911 2.4911 2.7308 2.7308 2.8346 2.8346 3.1635 3.1635 3.9200 3.9200 4.1202 4.1202 4.4543 4.4543 4.9839 4.9839 5.3696 5.3696 6.0185 6.0185 6.2694 6.2694 7.6087 7.6087 7.9064 7.9064 8.1425 8.1425 8.9130 8.9130 9.3374 9.3374 k = 0.6913-0.5211-1.0260 ( 8372 PWs) bands (ev): -11.4718 -11.4718 -11.4606 -11.4606 -8.9487 -8.9487 -8.9216 -8.9216 -8.8885 -8.8885 -5.2326 -5.2326 -5.1176 -5.1176 -4.4213 -4.4213 -4.1187 -4.1187 -2.0256 -2.0256 -1.9821 -1.9821 -1.0260 -1.0260 2.1834 2.1834 2.5660 2.5660 2.7510 2.7510 2.8480 2.8480 3.2243 3.2243 3.9983 3.9983 4.2013 4.2013 4.5300 4.5300 5.0381 5.0381 5.3272 5.3272 5.9848 5.9848 6.2682 6.2682 7.5996 7.5996 7.9709 7.9709 8.2026 8.2026 8.8655 8.8655 9.2551 9.2551 k = 0.6844-0.4997-0.9877 ( 8364 PWs) bands (ev): -11.4719 -11.4719 -11.4605 -11.4605 -8.9481 -8.9481 -8.9212 -8.9212 -8.8890 -8.8890 -5.2876 -5.2876 -5.1750 -5.1750 -4.4553 -4.4553 -4.1424 -4.1424 -1.9848 -1.9848 -1.9303 -1.9303 -0.9645 -0.9645 2.2379 2.2379 2.6314 2.6314 2.7887 2.7887 2.8702 2.8702 3.2867 3.2867 4.0758 4.0758 4.2816 4.2816 4.6057 4.6057 5.0885 5.0885 5.2915 5.2915 5.9527 5.9527 6.2668 6.2668 7.5849 7.5849 8.0386 8.0386 8.2619 8.2619 8.8210 8.8210 9.1740 9.1740 k = 0.6776-0.4783-0.9494 ( 8358 PWs) bands (ev): -11.4720 -11.4720 -11.4604 -11.4604 -8.9474 -8.9474 -8.9209 -8.9209 -8.8895 -8.8895 -5.3415 -5.3415 -5.2311 -5.2311 -4.4897 -4.4897 -4.1668 -4.1668 -1.9469 -1.9469 -1.8803 -1.8803 -0.9005 -0.9005 2.2945 2.2945 2.6833 2.6833 2.8418 2.8418 2.9087 2.9087 3.3493 3.3493 4.1519 4.1519 4.3599 4.3599 4.6803 4.6803 5.1271 5.1271 5.2723 5.2723 5.9239 5.9239 6.2649 6.2649 7.5665 7.5665 8.1066 8.1066 8.3166 8.3166 8.7806 8.7806 9.0949 9.0949 k = 0.6708-0.4569-0.9112 ( 8372 PWs) bands (ev): -11.4721 -11.4721 -11.4603 -11.4603 -8.9466 -8.9466 -8.9207 -8.9207 -8.8899 -8.8899 -5.3941 -5.3941 -5.2858 -5.2858 -4.5243 -4.5243 -4.1918 -4.1918 -1.9119 -1.9119 -1.8323 -1.8323 -0.8344 -0.8344 2.3528 2.3528 2.7270 2.7270 2.8950 2.8950 2.9751 2.9751 3.4110 3.4110 4.2262 4.2262 4.4347 4.4347 4.7521 4.7521 5.1393 5.1393 5.2866 5.2866 5.8998 5.8998 6.2626 6.2626 7.5454 7.5454 8.1719 8.1719 8.3621 8.3621 8.7448 8.7448 9.0092 9.0092 k = 0.6639-0.4355-0.8729 ( 8360 PWs) bands (ev): -11.4722 -11.4722 -11.4601 -11.4601 -8.9459 -8.9459 -8.9204 -8.9204 -8.8904 -8.8904 -5.4453 -5.4453 -5.3391 -5.3391 -4.5589 -4.5589 -4.2172 -4.2172 -1.8800 -1.8800 -1.7866 -1.7866 -0.7662 -0.7662 2.4122 2.4122 2.7698 2.7698 2.9463 2.9463 3.0643 3.0643 3.4711 3.4711 4.2982 4.2982 4.5042 4.5042 4.8188 4.8188 5.1309 5.1309 5.3318 5.3318 5.8823 5.8823 6.2600 6.2600 7.5222 7.5222 8.2305 8.2305 8.3937 8.3937 8.7135 8.7135 8.9076 8.9076 k = 0.6571-0.4141-0.8346 ( 8346 PWs) bands (ev): -11.4723 -11.4723 -11.4600 -11.4600 -8.9450 -8.9450 -8.9202 -8.9202 -8.8909 -8.8909 -5.4951 -5.4951 -5.3907 -5.3907 -4.5934 -4.5934 -4.2428 -4.2428 -1.8513 -1.8513 -1.7434 -1.7434 -0.6964 -0.6964 2.4728 2.4728 2.8156 2.8156 3.0034 3.0034 3.1648 3.1648 3.5289 3.5289 4.3678 4.3678 4.5662 4.5662 4.8769 4.8769 5.1221 5.1221 5.3918 5.3918 5.8730 5.8730 6.2572 6.2572 7.4975 7.4975 8.2759 8.2759 8.4079 8.4079 8.6851 8.6851 8.8026 8.8026 k = 0.6503-0.3927-0.7963 ( 8340 PWs) bands (ev): -11.4724 -11.4724 -11.4599 -11.4599 -8.9442 -8.9442 -8.9199 -8.9199 -8.8914 -8.8914 -5.5432 -5.5432 -5.4407 -5.4407 -4.6275 -4.6275 -4.2685 -4.2685 -1.8257 -1.8257 -1.7028 -1.7028 -0.6252 -0.6252 2.5345 2.5345 2.8661 2.8661 3.0691 3.0691 3.2713 3.2713 3.5837 3.5837 4.4346 4.4346 4.6181 4.6181 4.9232 4.9232 5.1240 5.1240 5.4598 5.4598 5.8739 5.8739 6.2546 6.2546 7.4715 7.4715 8.2988 8.2988 8.4032 8.4032 8.6582 8.6582 8.7029 8.7029 k = 0.6435-0.3713-0.7581 ( 8336 PWs) bands (ev): -11.4725 -11.4725 -11.4597 -11.4597 -8.9434 -8.9434 -8.9197 -8.9197 -8.8919 -8.8919 -5.5897 -5.5897 -5.4888 -5.4888 -4.6610 -4.6610 -4.2941 -4.2941 -1.8031 -1.8031 -1.6649 -1.6649 -0.5530 -0.5530 2.5980 2.5980 2.9220 2.9220 3.1439 3.1439 3.3816 3.3816 3.6352 3.6352 4.4986 4.4986 4.6576 4.6576 4.9580 4.9580 5.1388 5.1388 5.5340 5.5340 5.8865 5.8865 6.2522 6.2522 7.4444 7.4444 8.2922 8.2922 8.3764 8.3764 8.5877 8.5877 8.6673 8.6673 k = 0.6366-0.3499-0.7198 ( 8346 PWs) bands (ev): -11.4726 -11.4726 -11.4596 -11.4596 -8.9426 -8.9426 -8.9194 -8.9194 -8.8923 -8.8923 -5.6345 -5.6345 -5.5351 -5.5351 -4.6938 -4.6938 -4.3195 -4.3195 -1.7835 -1.7835 -1.6299 -1.6299 -0.4801 -0.4801 2.6638 2.6638 2.9834 2.9834 3.2273 3.2273 3.4941 3.4941 3.6830 3.6830 4.5595 4.5595 4.6840 4.6840 4.9865 4.9865 5.1617 5.1617 5.6133 5.6133 5.9117 5.9117 6.2507 6.2507 7.4164 7.4164 8.2560 8.2560 8.3257 8.3257 8.4982 8.4982 8.6807 8.6807 k = 0.6298-0.3285-0.6815 ( 8352 PWs) bands (ev): -11.4727 -11.4727 -11.4595 -11.4595 -8.9418 -8.9418 -8.9192 -8.9192 -8.8928 -8.8928 -5.6775 -5.6775 -5.5795 -5.5795 -4.7259 -4.7259 -4.3446 -4.3446 -1.7667 -1.7667 -1.5977 -1.5977 -0.4069 -0.4069 2.7325 2.7325 3.0503 3.0503 3.3181 3.3181 3.6071 3.6071 3.7278 3.7278 4.6167 4.6167 4.6997 4.6997 5.0138 5.0138 5.1862 5.1862 5.6967 5.6967 5.9493 5.9493 6.2504 6.2504 7.3875 7.3875 8.1944 8.1944 8.2551 8.2551 8.4241 8.4241 8.7069 8.7069 k = 0.6230-0.3071-0.6432 ( 8358 PWs) bands (ev): -11.4729 -11.4729 -11.4593 -11.4593 -8.9411 -8.9411 -8.9189 -8.9189 -8.8933 -8.8933 -5.7186 -5.7186 -5.6219 -5.6219 -4.7569 -4.7569 -4.3691 -4.3691 -1.7524 -1.7524 -1.5683 -1.5683 -0.3338 -0.3338 2.8047 2.8047 3.1227 3.1227 3.4151 3.4151 3.7144 3.7144 3.7747 3.7747 4.6667 4.6667 4.7123 4.7123 5.0414 5.0414 5.2088 5.2088 5.7828 5.7828 5.9975 5.9975 6.2524 6.2524 7.3575 7.3575 8.1131 8.1131 8.1710 8.1710 8.3682 8.3682 8.7348 8.7348 k = 0.6161-0.2858-0.6050 ( 8362 PWs) bands (ev): -11.4730 -11.4730 -11.4592 -11.4592 -8.9405 -8.9405 -8.9185 -8.9185 -8.8937 -8.8937 -5.7577 -5.7577 -5.6622 -5.6622 -4.7869 -4.7869 -4.3931 -4.3931 -1.7406 -1.7406 -1.5417 -1.5417 -0.2613 -0.2613 2.8807 2.8807 3.2004 3.2004 3.5168 3.5168 3.7834 3.7834 3.8558 3.8558 4.6926 4.6926 4.7427 4.7427 5.0681 5.0681 5.2289 5.2289 5.8692 5.8692 6.0532 6.0532 6.2583 6.2583 7.3265 7.3265 8.0197 8.0197 8.0814 8.0814 8.3248 8.3248 8.7573 8.7573 k = 0.6093-0.2644-0.5667 ( 8366 PWs) bands (ev): -11.4731 -11.4731 -11.4591 -11.4591 -8.9399 -8.9399 -8.9181 -8.9181 -8.8941 -8.8941 -5.7949 -5.7949 -5.7004 -5.7004 -4.8156 -4.8156 -4.4163 -4.4163 -1.7308 -1.7308 -1.5177 -1.5177 -0.1897 -0.1897 2.9607 2.9607 3.2830 3.2830 3.6204 3.6204 3.8214 3.8214 3.9647 3.9647 4.6991 4.6991 4.7896 4.7896 5.0929 5.0929 5.2475 5.2475 5.9529 5.9529 6.1111 6.1111 6.2715 6.2715 7.2943 7.2943 7.9213 7.9213 7.9909 7.9909 8.2888 8.2888 8.7697 8.7697 k = 0.6025-0.2430-0.5284 ( 8352 PWs) bands (ev): -11.4732 -11.4732 -11.4589 -11.4589 -8.9394 -8.9394 -8.9177 -8.9177 -8.8945 -8.8945 -5.8300 -5.8300 -5.7366 -5.7366 -4.8431 -4.8431 -4.4386 -4.4386 -1.7231 -1.7231 -1.4964 -1.4964 -0.1196 -0.1196 3.0448 3.0448 3.3701 3.3701 3.7191 3.7191 3.8589 3.8589 4.0753 4.0753 4.7036 4.7036 4.8382 4.8382 5.1157 5.1157 5.2656 5.2656 6.0297 6.0297 6.1637 6.1637 6.2975 6.2975 7.2611 7.2611 7.8239 7.8239 7.9020 7.9020 8.2573 8.2573 8.7681 8.7682 k = 0.5956-0.2216-0.4901 ( 8352 PWs) bands (ev): -11.4733 -11.4733 -11.4588 -11.4588 -8.9389 -8.9389 -8.9172 -8.9172 -8.8949 -8.8949 -5.8630 -5.8630 -5.7705 -5.7705 -4.8692 -4.8692 -4.4601 -4.4601 -1.7170 -1.7170 -1.4775 -1.4775 -0.0512 -0.0512 3.1326 3.1326 3.4610 3.4610 3.7938 3.7938 3.9182 3.9182 4.1828 4.1828 4.7102 4.7102 4.8857 4.8857 5.1375 5.1375 5.2838 5.2838 6.0938 6.0938 6.2064 6.2064 6.3394 6.3394 7.2278 7.2278 7.7320 7.7320 7.8169 7.8169 8.2293 8.2293 8.7480 8.7480 k = 0.5888-0.2002-0.4519 ( 8344 PWs) bands (ev): -11.4735 -11.4735 -11.4586 -11.4586 -8.9386 -8.9386 -8.9167 -8.9167 -8.8953 -8.8953 -5.8940 -5.8940 -5.8022 -5.8022 -4.8938 -4.8938 -4.4804 -4.4804 -1.7124 -1.7124 -1.4609 -1.4609 0.0148 0.0148 3.2237 3.2237 3.5551 3.5551 3.8324 3.8324 4.0119 4.0119 4.2843 4.2843 4.7208 4.7208 4.9310 4.9310 5.1603 5.1603 5.3024 5.3024 6.1396 6.1396 6.2434 6.2434 6.3893 6.3893 7.1965 7.1965 7.6494 7.6494 7.7387 7.7387 8.2041 8.2041 8.7033 8.7033 k = 0.5820-0.1788-0.4136 ( 8342 PWs) bands (ev): -11.4736 -11.4736 -11.4585 -11.4585 -8.9383 -8.9383 -8.9162 -8.9162 -8.8956 -8.8956 -5.9227 -5.9227 -5.8318 -5.8318 -4.9168 -4.9168 -4.4996 -4.4996 -1.7090 -1.7090 -1.4465 -1.4465 0.0782 0.0782 3.3172 3.3172 3.6507 3.6507 3.8548 3.8548 4.1213 4.1213 4.3769 4.3769 4.7370 4.7370 4.9730 4.9730 5.1870 5.1870 5.3217 5.3217 6.1676 6.1676 6.2763 6.2763 6.4335 6.4335 7.1713 7.1713 7.5784 7.5784 7.6717 7.6717 8.1811 8.1811 8.6279 8.6279 k = 0.5751-0.1574-0.3753 ( 8336 PWs) bands (ev): -11.4737 -11.4737 -11.4584 -11.4584 -8.9381 -8.9381 -8.9156 -8.9156 -8.8959 -8.8959 -5.9493 -5.9493 -5.8590 -5.8590 -4.9382 -4.9382 -4.5176 -4.5176 -1.7067 -1.7067 -1.4340 -1.4340 0.1384 0.1384 3.4114 3.4114 3.7443 3.7443 3.8762 3.8762 4.2340 4.2340 4.4576 4.4576 4.7608 4.7608 5.0104 5.0104 5.2205 5.2205 5.3420 5.3420 6.1837 6.1837 6.2970 6.2970 6.4619 6.4619 7.1569 7.1569 7.5203 7.5203 7.6214 7.6214 8.1593 8.1593 8.5254 8.5254 k = 0.5683-0.1360-0.3370 ( 8346 PWs) bands (ev): -11.4738 -11.4738 -11.4583 -11.4583 -8.9379 -8.9379 -8.9150 -8.9150 -8.8962 -8.8962 -5.9737 -5.9737 -5.8839 -5.8839 -4.9580 -4.9580 -4.5342 -4.5342 -1.7053 -1.7053 -1.4232 -1.4232 0.1950 0.1950 3.5032 3.5032 3.8234 3.8234 3.9146 3.9146 4.3445 4.3445 4.5240 4.5240 4.7938 4.7938 5.0421 5.0421 5.2620 5.2620 5.3647 5.3647 6.1894 6.1894 6.2992 6.2992 6.4709 6.4709 7.1544 7.1544 7.4751 7.4751 7.5947 7.5947 8.1359 8.1359 8.4078 8.4078 k = 0.5615-0.1146-0.2988 ( 8338 PWs) bands (ev): -11.4739 -11.4739 -11.4582 -11.4582 -8.9378 -8.9378 -8.9144 -8.9144 -8.8964 -8.8964 -5.9958 -5.9958 -5.9066 -5.9066 -4.9760 -4.9760 -4.5495 -4.5495 -1.7045 -1.7045 -1.4141 -1.4141 0.2477 0.2477 3.5872 3.5872 3.8739 3.8739 3.9896 3.9896 4.4476 4.4476 4.5772 4.5772 4.8361 4.8361 5.0690 5.0690 5.3081 5.3081 5.3938 5.3938 6.1764 6.1764 6.2862 6.2862 6.4647 6.4647 7.1581 7.1581 7.4428 7.4428 7.5971 7.5971 8.1042 8.1042 8.2889 8.2889 k = 0.5546-0.0932-0.2605 ( 8328 PWs) bands (ev): -11.4740 -11.4740 -11.4581 -11.4581 -8.9378 -8.9378 -8.9139 -8.9139 -8.8967 -8.8967 -6.0156 -6.0156 -5.9268 -5.9268 -4.9923 -4.9923 -4.5633 -4.5633 -1.7043 -1.7043 -1.4064 -1.4064 0.2960 0.2960 3.6546 3.6546 3.9216 3.9216 4.0829 4.0829 4.5343 4.5343 4.6257 4.6257 4.8849 4.8849 5.0932 5.0932 5.3495 5.3495 5.4374 5.4374 6.1317 6.1317 6.2672 6.2672 6.4542 6.4542 7.1588 7.1588 7.4237 7.4237 7.6297 7.6297 8.0456 8.0456 8.1896 8.1896 k = 0.5478-0.0718-0.2222 ( 8330 PWs) bands (ev): -11.4741 -11.4741 -11.4580 -11.4580 -8.9378 -8.9378 -8.9134 -8.9134 -8.8969 -8.8969 -6.0332 -6.0332 -5.9448 -5.9448 -5.0067 -5.0067 -4.5757 -4.5757 -1.7044 -1.7044 -1.4001 -1.4001 0.3396 0.3396 3.6986 3.6986 3.9868 3.9868 4.1787 4.1787 4.5909 4.5909 4.6842 4.6842 4.9355 4.9355 5.1177 5.1177 5.3809 5.3809 5.4990 5.4990 6.0577 6.0577 6.2356 6.2356 6.4547 6.4547 7.1495 7.1495 7.4171 7.4171 7.6869 7.6869 7.9480 7.9480 8.1212 8.1212 k = 0.5410-0.0505-0.1839 ( 8320 PWs) bands (ev): -11.4741 -11.4741 -11.4579 -11.4579 -8.9378 -8.9378 -8.9129 -8.9129 -8.8970 -8.8970 -6.0485 -6.0485 -5.9604 -5.9604 -5.0193 -5.0193 -4.5864 -4.5864 -1.7047 -1.7047 -1.3948 -1.3948 0.3782 0.3782 3.7222 3.7222 4.0689 4.0689 4.2712 4.2712 4.6228 4.6228 4.7495 4.7495 4.9827 4.9827 5.1456 5.1456 5.4074 5.4074 5.5718 5.5718 5.9671 5.9671 6.1819 6.1819 6.4747 6.4747 7.1281 7.1281 7.4212 7.4212 7.7540 7.7540 7.8400 7.8400 8.0606 8.0606 k = 0.5342-0.0291-0.1457 ( 8310 PWs) bands (ev): -11.4742 -11.4742 -11.4578 -11.4578 -8.9378 -8.9378 -8.9125 -8.9125 -8.8972 -8.8972 -6.0614 -6.0614 -5.9736 -5.9736 -5.0300 -5.0300 -4.5956 -4.5956 -1.7052 -1.7052 -1.3906 -1.3906 0.4113 0.4113 3.7335 3.7335 4.1586 4.1586 4.3564 4.3564 4.6453 4.6453 4.8089 4.8089 5.0223 5.0223 5.1778 5.1778 5.4341 5.4341 5.6476 5.6476 5.8716 5.8716 6.1095 6.1095 6.5108 6.5108 7.0945 7.0945 7.4329 7.4329 7.7153 7.7153 7.8372 7.8372 8.0071 8.0071 k = 0.5273-0.0077-0.1074 ( 8300 PWs) bands (ev): -11.4743 -11.4743 -11.4578 -11.4578 -8.9378 -8.9378 -8.9122 -8.9122 -8.8973 -8.8973 -6.0720 -6.0720 -5.9844 -5.9844 -5.0387 -5.0387 -4.6032 -4.6032 -1.7058 -1.7058 -1.3873 -1.3873 0.4389 0.4389 3.7386 3.7386 4.2470 4.2470 4.4304 4.4304 4.6665 4.6665 4.8583 4.8583 5.0529 5.0529 5.2118 5.2118 5.4642 5.4642 5.7020 5.7020 5.7997 5.7997 6.0256 6.0256 6.5558 6.5558 7.0501 7.0501 7.4491 7.4491 7.6229 7.6229 7.8370 7.8370 8.0189 8.0189 k = 0.5205 0.0137-0.0691 ( 8302 PWs) bands (ev): -11.4743 -11.4743 -11.4577 -11.4577 -8.9378 -8.9378 -8.9119 -8.9119 -8.8974 -8.8974 -6.0802 -6.0802 -5.9928 -5.9928 -5.0456 -5.0456 -4.6091 -4.6091 -1.7063 -1.7063 -1.3849 -1.3849 0.4605 0.4605 3.7406 3.7406 4.3262 4.3262 4.4886 4.4886 4.6908 4.6908 4.8967 4.8967 5.0757 5.0757 5.2425 5.2425 5.4988 5.4988 5.6548 5.6548 5.8351 5.8351 5.9364 5.9364 6.6024 6.6024 6.9990 6.9990 7.4668 7.4668 7.5487 7.5487 7.7768 7.7768 8.0964 8.0964 k = 0.5137 0.0351-0.0308 ( 8302 PWs) bands (ev): -11.4743 -11.4743 -11.4577 -11.4577 -8.9379 -8.9379 -8.9117 -8.9117 -8.8975 -8.8975 -6.0861 -6.0861 -5.9988 -5.9988 -5.0505 -5.0505 -4.6134 -4.6134 -1.7067 -1.7067 -1.3832 -1.3832 0.4761 0.4761 3.7412 3.7412 4.3888 4.3888 4.5278 4.5278 4.7192 4.7192 4.9243 4.9243 5.0914 5.0914 5.2662 5.2662 5.5287 5.5287 5.5976 5.5976 5.8463 5.8463 5.8997 5.8997 6.6421 6.6421 6.9503 6.9503 7.4705 7.4705 7.5114 7.5114 7.7104 7.7104 8.1849 8.1849 k = 0.5068 0.0565 0.0074 ( 8308 PWs) bands (ev): -11.4744 -11.4744 -11.4577 -11.4577 -8.9379 -8.9379 -8.9115 -8.9115 -8.8975 -8.8975 -6.0897 -6.0897 -6.0024 -6.0024 -5.0534 -5.0534 -4.6159 -4.6159 -1.7069 -1.7069 -1.3822 -1.3822 0.4855 0.4855 3.7413 3.7413 4.4288 4.4288 4.5488 4.5488 4.7452 4.7452 4.9411 4.9411 5.0996 5.0996 5.2812 5.2812 5.5096 5.5096 5.6205 5.6205 5.7611 5.7611 5.9475 5.9475 6.6672 6.6672 6.9160 6.9160 7.4458 7.4458 7.5249 7.5249 7.6563 7.6563 8.2593 8.2593 k = 0.5000 0.0779 0.0457 ( 8302 PWs) bands (ev): -11.4744 -11.4744 -11.4577 -11.4577 -8.9379 -8.9379 -8.9115 -8.9115 -8.8975 -8.8975 -6.0909 -6.0909 -6.0037 -6.0037 -5.0544 -5.0544 -4.6168 -4.6168 -1.7070 -1.7070 -1.3818 -1.3818 0.4887 0.4887 3.7413 3.7413 4.4425 4.4425 4.5551 4.5551 4.7562 4.7562 4.9468 4.9468 5.1018 5.1018 5.2864 5.2864 5.4939 5.4939 5.6817 5.6817 5.6862 5.6862 5.9654 5.9654 6.6751 6.6751 6.9041 6.9041 7.4350 7.4350 7.5372 7.5372 7.6321 7.6321 8.2841 8.2841 k = 0.5000 0.0779 0.0457 ( 8302 PWs) bands (ev): -11.4744 -11.4744 -11.4577 -11.4577 -8.9379 -8.9379 -8.9115 -8.9115 -8.8975 -8.8975 -6.0909 -6.0909 -6.0037 -6.0037 -5.0544 -5.0544 -4.6168 -4.6168 -1.7070 -1.7070 -1.3818 -1.3818 0.4887 0.4887 3.7413 3.7413 4.4425 4.4425 4.5551 4.5551 4.7562 4.7562 4.9468 4.9468 5.1018 5.1018 5.2864 5.2864 5.4939 5.4939 5.6817 5.6817 5.6862 5.6862 5.9654 5.9654 6.6751 6.6751 6.9041 6.9041 7.4350 7.4350 7.5372 7.5372 7.6321 7.6321 8.2841 8.2841 k = 0.4583 0.0714 0.0419 ( 8308 PWs) bands (ev): -11.4744 -11.4744 -11.4577 -11.4577 -8.9379 -8.9379 -8.9115 -8.9115 -8.8975 -8.8975 -6.0954 -6.0954 -5.9977 -5.9977 -5.0605 -5.0605 -4.6111 -4.6111 -1.7245 -1.7245 -1.3623 -1.3623 0.4846 0.4846 3.7448 3.7448 4.4386 4.4386 4.5580 4.5580 4.7570 4.7570 4.9468 4.9468 5.1017 5.1017 5.2846 5.2846 5.4838 5.4838 5.6827 5.6827 5.6964 5.6964 5.9641 5.9641 6.6769 6.6769 6.9016 6.9016 7.4345 7.4345 7.5387 7.5387 7.6348 7.6348 8.2809 8.2809 k = 0.4167 0.0649 0.0381 ( 8314 PWs) bands (ev): -11.4744 -11.4744 -11.4577 -11.4577 -8.9379 -8.9379 -8.9115 -8.9115 -8.8975 -8.8975 -6.1063 -6.1063 -5.9824 -5.9824 -5.0777 -5.0777 -4.5952 -4.5952 -1.7676 -1.7676 -1.3133 -1.3133 0.4724 0.4724 3.7552 3.7552 4.4276 4.4276 4.5658 4.5658 4.7594 4.7594 4.9468 4.9468 5.1014 5.1014 5.2791 5.2791 5.4587 5.4587 5.6857 5.6857 5.7220 5.7220 5.9601 5.9601 6.6819 6.6819 6.8944 6.8944 7.4320 7.4320 7.5445 7.5445 7.6429 7.6429 8.2716 8.2716 k = 0.3750 0.0584 0.0343 ( 8311 PWs) bands (ev): -11.4744 -11.4744 -11.4577 -11.4577 -8.9379 -8.9379 -8.9115 -8.9115 -8.8975 -8.8975 -6.1196 -6.1196 -5.9620 -5.9620 -5.1034 -5.1034 -4.5716 -4.5716 -1.8220 -1.8220 -1.2490 -1.2490 0.4527 0.4527 3.7720 3.7720 4.4115 4.4115 4.5768 4.5768 4.7631 4.7631 4.9469 4.9469 5.1009 5.1009 5.2701 5.2701 5.4265 5.4265 5.6906 5.6906 5.7552 5.7552 5.9537 5.9537 6.6894 6.6894 6.8841 6.8841 7.4244 7.4244 7.5566 7.5566 7.6563 7.6563 8.2569 8.2570 k = 0.3333 0.0519 0.0305 ( 8296 PWs) bands (ev): -11.4744 -11.4744 -11.4577 -11.4577 -8.9379 -8.9379 -8.9115 -8.9115 -8.8975 -8.8975 -6.1332 -6.1332 -5.9389 -5.9389 -5.1348 -5.1348 -4.5434 -4.5434 -1.8794 -1.8794 -1.1780 -1.1780 0.4264 0.4264 3.7947 3.7947 4.3918 4.3918 4.5897 4.5897 4.7673 4.7673 4.9469 4.9469 5.1003 5.1003 5.2580 5.2580 5.3924 5.3924 5.6974 5.6974 5.7909 5.7909 5.9449 5.9449 6.6979 6.6979 6.8731 6.8731 7.4105 7.4105 7.5761 7.5761 7.6745 7.6745 8.2377 8.2377 k = 0.2917 0.0454 0.0267 ( 8313 PWs) bands (ev): -11.4744 -11.4744 -11.4577 -11.4577 -8.9379 -8.9379 -8.9115 -8.9115 -8.8975 -8.8975 -6.1459 -6.1459 -5.9142 -5.9142 -5.1692 -5.1692 -4.5133 -4.5133 -1.9355 -1.9355 -1.1050 -1.1050 0.3945 0.3945 3.8225 3.8225 4.3692 4.3692 4.6038 4.6038 4.7714 4.7714 4.9470 4.9470 5.0996 5.0996 5.2435 5.2435 5.3592 5.3592 5.7058 5.7058 5.8268 5.8268 5.9342 5.9342 6.7051 6.7051 6.8645 6.8645 7.3905 7.3905 7.6020 7.6020 7.6975 7.6975 8.2146 8.2146 k = 0.2500 0.0389 0.0229 ( 8304 PWs) bands (ev): -11.4744 -11.4744 -11.4577 -11.4577 -8.9379 -8.9379 -8.9115 -8.9115 -8.8975 -8.8975 -6.1574 -6.1574 -5.8890 -5.8890 -5.2047 -5.2047 -4.4832 -4.4832 -1.9877 -1.9877 -1.0330 -1.0330 0.3585 0.3585 3.8543 3.8543 4.3445 4.3445 4.6190 4.6190 4.7744 4.7744 4.9471 4.9471 5.0988 5.0988 5.2276 5.2276 5.3284 5.3284 5.7158 5.7158 5.8611 5.8611 5.9219 5.9219 6.7083 6.7083 6.8618 6.8618 7.3662 7.3662 7.6323 7.6323 7.7245 7.7245 8.1886 8.1886 k = 0.2083 0.0325 0.0190 ( 8295 PWs) bands (ev): -11.4744 -11.4744 -11.4577 -11.4577 -8.9379 -8.9379 -8.9115 -8.9115 -8.8975 -8.8975 -6.1674 -6.1674 -5.8641 -5.8641 -5.2394 -5.2394 -4.4550 -4.4550 -2.0345 -2.0345 -0.9644 -0.9644 0.3205 0.3205 3.8890 3.8890 4.3180 4.3180 4.6349 4.6349 4.7752 4.7752 4.9472 4.9472 5.0981 5.0981 5.2119 5.2119 5.3008 5.3008 5.7270 5.7270 5.8926 5.8926 5.9083 5.9083 6.7057 6.7057 6.8670 6.8670 7.3392 7.3392 7.6652 7.6652 7.7553 7.7553 8.1605 8.1868 k = 0.1667 0.0260 0.0152 ( 8301 PWs) bands (ev): -11.4744 -11.4744 -11.4577 -11.4577 -8.9379 -8.9379 -8.9115 -8.9115 -8.8975 -8.8975 -6.1757 -6.1757 -5.8405 -5.8405 -5.2716 -5.2716 -4.4299 -4.4299 -2.0745 -2.0745 -0.9017 -0.9017 0.2828 0.2828 3.9251 3.9251 4.2903 4.2903 4.6515 4.6515 4.7732 4.7732 4.9473 4.9473 5.0974 5.0974 5.1981 5.1981 5.2766 5.2766 5.7391 5.7391 5.8940 5.8940 5.9204 5.9204 6.6983 6.6983 6.8792 6.8792 7.3115 7.3115 7.6988 7.6988 7.7890 7.7890 8.1316 8.1316 k = 0.1250 0.0195 0.0114 ( 8319 PWs) bands (ev): -11.4744 -11.4744 -11.4577 -11.4577 -8.9379 -8.9379 -8.9115 -8.9115 -8.8975 -8.8975 -6.1822 -6.1822 -5.8196 -5.8196 -5.2997 -5.2997 -4.4092 -4.4092 -2.1068 -2.1068 -0.8479 -0.8479 0.2482 0.2482 3.9607 3.9607 4.2624 4.2624 4.6686 4.6686 4.7677 4.7677 4.9473 4.9473 5.0968 5.0968 5.1878 5.1878 5.2561 5.2561 5.7515 5.7515 5.8797 5.8797 5.9435 5.9435 6.6888 6.6888 6.8951 6.8951 7.2851 7.2851 7.7309 7.7309 7.8246 7.8246 8.1035 8.1078 k = 0.0833 0.0130 0.0076 ( 8328 PWs) bands (ev): -11.4744 -11.4744 -11.4577 -11.4577 -8.9379 -8.9379 -8.9115 -8.9115 -8.8975 -8.8975 -6.1868 -6.1868 -5.8028 -5.8028 -5.3218 -5.3218 -4.3938 -4.3938 -2.1305 -2.1305 -0.8060 -0.8060 0.2199 0.2199 3.9931 3.9931 4.2361 4.2361 4.6855 4.6855 4.7591 4.7591 4.9474 4.9474 5.0964 5.0964 5.1815 5.1815 5.2396 5.2396 5.7632 5.7632 5.8665 5.8665 5.9608 5.9608 6.6801 6.6801 6.9109 6.9109 7.2627 7.2627 7.7587 7.7587 7.8606 7.8606 8.0686 8.0686 k = 0.0417 0.0065 0.0038 ( 8346 PWs) bands (ev): -11.4744 -11.4744 -11.4577 -11.4577 -8.9379 -8.9379 -8.9115 -8.9115 -8.8975 -8.8975 -6.1897 -6.1897 -5.7918 -5.7918 -5.3361 -5.3361 -4.3842 -4.3842 -2.1450 -2.1450 -0.7792 -0.7792 0.2012 0.2012 4.0176 4.0176 4.2156 4.2156 4.7005 4.7005 4.7490 4.7490 4.9474 4.9474 5.0961 5.0961 5.1789 5.1789 5.2285 5.2285 5.7724 5.7724 5.8564 5.8564 5.9715 5.9715 6.6740 6.6740 6.9226 6.9226 7.2474 7.2474 7.7784 7.7784 7.8924 7.8924 8.0347 8.0347 k = 0.0000 0.0000 0.0000 ( 8343 PWs) bands (ev): -11.4744 -11.4744 -11.4577 -11.4577 -8.9379 -8.9379 -8.9115 -8.9115 -8.8975 -8.8975 -6.1906 -6.1906 -5.7879 -5.7879 -5.3411 -5.3411 -4.3810 -4.3810 -2.1499 -2.1499 -0.7700 -0.7700 0.1947 0.1947 4.0272 4.0272 4.2074 4.2074 4.7079 4.7079 4.7432 4.7432 4.9474 4.9474 5.0960 5.0960 5.1783 5.1783 5.2245 5.2245 5.7761 5.7761 5.8525 5.8525 5.9752 5.9752 6.6719 6.6719 6.9269 6.9269 7.2418 7.2418 7.7856 7.7856 7.9075 7.9075 8.0189 8.0189 k = 0.0000 0.0000 0.0000 ( 8343 PWs) bands (ev): -11.4744 -11.4744 -11.4577 -11.4577 -8.9379 -8.9379 -8.9115 -8.9115 -8.8975 -8.8975 -6.1906 -6.1906 -5.7879 -5.7879 -5.3411 -5.3411 -4.3810 -4.3810 -2.1499 -2.1499 -0.7700 -0.7700 0.1947 0.1947 4.0272 4.0272 4.2074 4.2074 4.7079 4.7079 4.7432 4.7432 4.9474 4.9474 5.0960 5.0960 5.1783 5.1783 5.2245 5.2245 5.7761 5.7761 5.8525 5.8525 5.9752 5.9752 6.6719 6.6719 6.9269 6.9269 7.2418 7.2418 7.7856 7.7856 7.9075 7.9075 8.0189 8.0189 k = 0.0069-0.0215-0.0384 ( 8347 PWs) bands (ev): -11.4744 -11.4744 -11.4577 -11.4577 -8.9379 -8.9379 -8.9115 -8.9115 -8.8975 -8.8975 -6.1894 -6.1894 -5.7868 -5.7868 -5.3400 -5.3400 -4.3802 -4.3802 -2.1494 -2.1494 -0.7714 -0.7714 0.1929 0.1929 4.0200 4.0200 4.1998 4.1998 4.7069 4.7069 4.7309 4.7309 4.9465 4.9465 5.0761 5.0761 5.1925 5.1925 5.2279 5.2279 5.7535 5.7535 5.8428 5.8428 6.0097 6.0097 6.6778 6.6778 6.9256 6.9256 7.2387 7.2387 7.7726 7.7726 7.9229 7.9229 7.9632 7.9632 k = 0.0137-0.0430-0.0769 ( 8345 PWs) bands (ev): -11.4743 -11.4743 -11.4577 -11.4577 -8.9379 -8.9379 -8.9117 -8.9117 -8.8975 -8.8975 -6.1858 -6.1858 -5.7832 -5.7832 -5.3368 -5.3368 -4.3780 -4.3780 -2.1479 -2.1479 -0.7756 -0.7756 0.1873 0.1873 3.9989 3.9989 4.1780 4.1780 4.6950 4.6950 4.7044 4.7044 4.9391 4.9391 5.0317 5.0317 5.2151 5.2151 5.2460 5.2460 5.7130 5.7130 5.8165 5.8165 6.0828 6.0828 6.6872 6.6872 6.9259 6.9259 7.2333 7.2333 7.7480 7.7480 7.8975 7.8975 7.9710 7.9710 k = 0.0206-0.0644-0.1153 ( 8335 PWs) bands (ev): -11.4743 -11.4743 -11.4577 -11.4577 -8.9378 -8.9378 -8.9119 -8.9119 -8.8974 -8.8974 -6.1797 -6.1797 -5.7773 -5.7773 -5.3316 -5.3316 -4.3743 -4.3743 -2.1455 -2.1455 -0.7826 -0.7826 0.1781 0.1781 3.9651 3.9651 4.1443 4.1443 4.6428 4.6428 4.6946 4.6946 4.9145 4.9145 4.9807 4.9807 5.2298 5.2298 5.2881 5.2881 5.6781 5.6781 5.7799 5.7799 6.1613 6.1613 6.6820 6.6820 6.9365 6.9365 7.2375 7.2375 7.7256 7.7256 7.8591 7.8591 8.0152 8.0152 k = 0.0274-0.0859-0.1537 ( 8331 PWs) bands (ev): -11.4743 -11.4743 -11.4578 -11.4578 -8.9378 -8.9378 -8.9122 -8.9122 -8.8973 -8.8973 -6.1712 -6.1712 -5.7690 -5.7690 -5.3243 -5.3243 -4.3691 -4.3691 -2.1421 -2.1421 -0.7925 -0.7925 0.1651 0.1651 3.9205 3.9205 4.1017 4.1017 4.5744 4.5744 4.6758 4.6758 4.8654 4.8654 4.9360 4.9360 5.2460 5.2460 5.3422 5.3422 5.6537 5.6537 5.7393 5.7393 6.2258 6.2258 6.6510 6.6510 6.9615 6.9615 7.2660 7.2660 7.7104 7.7104 7.8382 7.8382 8.0569 8.0569 k = 0.0343-0.1074-0.1921 ( 8323 PWs) bands (ev): -11.4742 -11.4742 -11.4578 -11.4578 -8.9378 -8.9378 -8.9125 -8.9125 -8.8972 -8.8972 -6.1603 -6.1603 -5.7584 -5.7584 -5.3148 -5.3148 -4.3625 -4.3625 -2.1379 -2.1379 -0.8052 -0.8052 0.1484 0.1484 3.8671 3.8671 4.0526 4.0526 4.4925 4.4925 4.6414 4.6414 4.8049 4.8049 4.8958 4.8958 5.2650 5.2650 5.4008 5.4008 5.6383 5.6383 5.7004 5.7004 6.2614 6.2614 6.5975 6.5975 7.0033 7.0033 7.3237 7.3237 7.7041 7.7041 7.8345 7.8345 8.0895 8.0895 k = 0.0411-0.1289-0.2306 ( 8325 PWs) bands (ev): -11.4741 -11.4741 -11.4579 -11.4579 -8.9378 -8.9378 -8.9129 -8.9129 -8.8970 -8.8970 -6.1471 -6.1471 -5.7455 -5.7455 -5.3034 -5.3034 -4.3546 -4.3546 -2.1328 -2.1328 -0.8209 -0.8209 0.1279 0.1279 3.8066 3.8066 3.9991 3.9991 4.4003 4.4003 4.5839 4.5839 4.7490 4.7490 4.8564 4.8564 5.2824 5.2824 5.4578 5.4578 5.6210 5.6210 5.6778 5.6778 6.2625 6.2625 6.5291 6.5291 7.0674 7.0674 7.4016 7.4016 7.7074 7.7074 7.8476 7.8476 8.1096 8.1096 k = 0.0480-0.1503-0.2690 ( 8327 PWs) bands (ev): -11.4741 -11.4741 -11.4580 -11.4580 -8.9378 -8.9378 -8.9134 -8.9134 -8.8969 -8.8969 -6.1314 -6.1314 -5.7302 -5.7302 -5.2898 -5.2898 -4.3452 -4.3452 -2.1270 -2.1270 -0.8396 -0.8396 0.1035 0.1035 3.7403 3.7403 3.9428 3.9428 4.3022 4.3022 4.5029 4.5029 4.7021 4.7021 4.8181 4.8181 5.2923 5.2923 5.5049 5.5049 5.5868 5.5868 5.6919 5.6919 6.2350 6.2350 6.4530 6.4530 7.1516 7.1516 7.4854 7.4854 7.7215 7.7215 7.8784 7.8784 8.1168 8.1168 k = 0.0549-0.1718-0.3074 ( 8325 PWs) bands (ev): -11.4740 -11.4740 -11.4581 -11.4581 -8.9378 -8.9378 -8.9139 -8.9139 -8.8967 -8.8967 -6.1133 -6.1133 -5.7127 -5.7127 -5.2743 -5.2743 -4.3346 -4.3346 -2.1206 -2.1206 -0.8614 -0.8614 0.0753 0.0753 3.6690 3.6690 3.8851 3.8851 4.2026 4.2026 4.4052 4.4052 4.6592 4.6592 4.7811 4.7811 5.2897 5.2897 5.5102 5.5102 5.5726 5.5726 5.7342 5.7342 6.1914 6.1914 6.3748 6.3748 7.2457 7.2457 7.5620 7.5620 7.7494 7.7494 7.9267 7.9267 8.1166 8.1166 k = 0.0617-0.1933-0.3458 ( 8337 PWs) bands (ev): -11.4739 -11.4739 -11.4582 -11.4582 -8.9378 -8.9378 -8.9145 -8.9145 -8.8964 -8.8964 -6.0929 -6.0929 -5.6928 -5.6928 -5.2568 -5.2568 -4.3227 -4.3227 -2.1136 -2.1136 -0.8863 -0.8863 0.0433 0.0433 3.5929 3.5929 3.8268 3.8268 4.1056 4.1056 4.2978 4.2978 4.6160 4.6160 4.7446 4.7446 5.2720 5.2720 5.4571 5.4571 5.6020 5.6020 5.7919 5.7919 6.1437 6.1437 6.2992 6.2992 7.3373 7.3373 7.6219 7.6219 7.7948 7.7948 7.9818 7.9818 8.1259 8.1259 k = 0.0686-0.2148-0.3843 ( 8337 PWs) bands (ev): -11.4738 -11.4738 -11.4583 -11.4583 -8.9379 -8.9379 -8.9150 -8.9150 -8.8962 -8.8962 -6.0701 -6.0701 -5.6708 -5.6708 -5.2373 -5.2373 -4.3096 -4.3096 -2.1062 -2.1062 -0.9143 -0.9143 0.0074 0.0074 3.5119 3.5119 3.7686 3.7686 4.0144 4.0144 4.1849 4.1849 4.5702 4.5702 4.7076 4.7076 5.2391 5.2391 5.3877 5.3877 5.6372 5.6372 5.8531 5.8531 6.1022 6.1022 6.2294 6.2294 7.4161 7.4161 7.6644 7.6644 7.8519 7.8519 8.0180 8.0180 8.1796 8.1796 k = 0.0754-0.2362-0.4227 ( 8335 PWs) bands (ev): -11.4737 -11.4737 -11.4584 -11.4584 -8.9381 -8.9381 -8.9156 -8.9156 -8.8959 -8.8959 -6.0450 -6.0450 -5.6465 -5.6465 -5.2158 -5.2158 -4.2954 -4.2954 -2.0985 -2.0985 -0.9455 -0.9455 -0.0322 -0.0322 3.4260 3.4260 3.7110 3.7110 3.9315 3.9315 4.0696 4.0696 4.5206 4.5206 4.6693 4.6693 5.1914 5.1914 5.3089 5.3089 5.6728 5.6728 5.9037 5.9037 6.0782 6.0782 6.1691 6.1691 7.4769 7.4769 7.6957 7.6957 7.8878 7.8878 8.0635 8.0635 8.2766 8.2766 k = 0.0823-0.2577-0.4611 ( 8333 PWs) bands (ev): -11.4736 -11.4736 -11.4585 -11.4585 -8.9383 -8.9383 -8.9162 -8.9162 -8.8956 -8.8956 -6.0176 -6.0176 -5.6200 -5.6200 -5.1925 -5.1925 -4.2802 -4.2802 -2.0908 -2.0908 -0.9799 -0.9799 -0.0755 -0.0755 3.3356 3.3356 3.6539 3.6539 3.8580 3.8580 3.9543 3.9543 4.4665 4.4665 4.6290 4.6290 5.1293 5.1293 5.2248 5.2248 5.7073 5.7073 5.9250 5.9250 6.0752 6.0752 6.1332 6.1332 7.5193 7.5193 7.7203 7.7203 7.8823 7.8823 8.1541 8.1541 8.3897 8.3897 k = 0.0892-0.2792-0.4995 ( 8335 PWs) bands (ev): -11.4735 -11.4735 -11.4587 -11.4587 -8.9386 -8.9386 -8.9167 -8.9167 -8.8953 -8.8953 -5.9878 -5.9878 -5.5913 -5.5913 -5.1674 -5.1674 -4.2641 -4.2641 -2.0830 -2.0830 -1.0175 -1.0175 -0.1224 -0.1224 3.2414 3.2414 3.5971 3.5971 3.7931 3.7931 3.8426 3.8426 4.4073 4.4073 4.5862 4.5862 5.0529 5.0529 5.1400 5.1400 5.7390 5.7390 5.9187 5.9187 6.0478 6.0478 6.1630 6.1630 7.5442 7.5442 7.7398 7.7398 7.8640 7.8640 8.2567 8.2567 8.4104 8.4104 k = 0.0960-0.3007-0.5380 ( 8337 PWs) bands (ev): -11.4733 -11.4733 -11.4588 -11.4588 -8.9389 -8.9389 -8.9172 -8.9172 -8.8949 -8.8949 -5.9559 -5.9559 -5.5606 -5.5606 -5.1405 -5.1405 -4.2471 -4.2471 -2.0756 -2.0756 -1.0583 -1.0583 -0.1725 -0.1725 3.1448 3.1448 3.5388 3.5388 3.7203 3.7203 3.7532 3.7532 4.3426 4.3426 4.5404 4.5404 4.9646 4.9646 5.0572 5.0572 5.7666 5.7666 5.9029 5.9029 6.0115 6.0115 6.2216 6.2216 7.5503 7.5503 7.7547 7.7547 7.8542 7.8542 8.2952 8.2952 8.4649 8.4649 k = 0.1029-0.3221-0.5764 ( 8349 PWs) bands (ev): -11.4732 -11.4732 -11.4589 -11.4589 -8.9394 -8.9394 -8.9177 -8.9177 -8.8945 -8.8945 -5.9217 -5.9217 -5.5278 -5.5278 -5.1118 -5.1118 -4.2294 -4.2294 -2.0686 -2.0686 -1.1022 -1.1022 -0.2258 -0.2258 3.0472 3.0472 3.4750 3.4750 3.6266 3.6266 3.7034 3.7034 4.2721 4.2721 4.4914 4.4914 4.8695 4.8695 4.9764 4.9764 5.7885 5.7885 5.8857 5.8857 5.9798 5.9798 6.2837 6.2837 7.5376 7.5376 7.7684 7.7684 7.8588 7.8588 8.2667 8.2667 8.5858 8.5858 k = 0.1097-0.3436-0.6148 ( 8341 PWs) bands (ev): -11.4731 -11.4731 -11.4591 -11.4591 -8.9399 -8.9399 -8.9181 -8.9181 -8.8941 -8.8941 -5.8853 -5.8853 -5.4930 -5.4930 -5.0815 -5.0815 -4.2110 -4.2110 -2.0623 -2.0623 -1.1491 -1.1491 -0.2819 -0.2819 2.9501 2.9501 3.3993 3.3993 3.5452 3.5452 3.6657 3.6657 4.1955 4.1955 4.4388 4.4388 4.7729 4.7729 4.8969 4.8969 5.8028 5.8028 5.8699 5.8699 5.9536 5.9536 6.3422 6.3422 7.5114 7.5114 7.7860 7.7860 7.8734 7.8734 8.2246 8.2246 8.7186 8.7186 k = 0.1166-0.3651-0.6532 ( 8355 PWs) bands (ev): -11.4730 -11.4730 -11.4592 -11.4592 -8.9405 -8.9405 -8.9185 -8.9185 -8.8937 -8.8937 -5.8467 -5.8467 -5.4562 -5.4562 -5.0495 -5.0495 -4.1922 -4.1922 -2.0570 -2.0570 -1.1990 -1.1990 -0.3405 -0.3405 2.8548 2.8548 3.3101 3.3101 3.4819 3.4819 3.6348 3.6348 4.1133 4.1133 4.3824 4.3824 4.6787 4.6787 4.8188 4.8188 5.8066 5.8066 5.8575 5.8575 5.9318 5.9318 6.3929 6.3929 7.4806 7.4806 7.8085 7.8085 7.8918 7.8918 8.1824 8.1824 8.8503 8.8503 k = 0.1234-0.3866-0.6917 ( 8357 PWs) bands (ev): -11.4729 -11.4729 -11.4593 -11.4593 -8.9412 -8.9412 -8.9189 -8.9189 -8.8932 -8.8932 -5.8061 -5.8061 -5.4175 -5.4175 -5.0161 -5.0161 -4.1729 -4.1729 -2.0530 -2.0530 -1.2517 -1.2517 -0.4014 -0.4014 2.7623 2.7623 3.2134 3.2134 3.4310 3.4310 3.6089 3.6089 4.0263 4.0263 4.3219 4.3219 4.5897 4.5897 4.7427 4.7427 5.7986 5.7986 5.8498 5.8498 5.9125 5.9125 6.4324 6.4324 7.4536 7.4536 7.8346 7.8346 7.9099 7.9099 8.1460 8.1460 8.9757 8.9757 k = 0.1303-0.4080-0.7301 ( 8359 PWs) bands (ev): -11.4727 -11.4727 -11.4595 -11.4595 -8.9419 -8.9419 -8.9192 -8.9192 -8.8928 -8.8928 -5.7634 -5.7634 -5.3770 -5.3770 -4.9812 -4.9812 -4.1535 -4.1535 -2.0504 -2.0504 -1.3070 -1.3070 -0.4640 -0.4640 2.6736 2.6736 3.1150 3.1150 3.3865 3.3865 3.5860 3.5860 3.9361 3.9361 4.2575 4.2575 4.5075 4.5075 4.6695 4.6695 5.7823 5.7823 5.8442 5.8442 5.8926 5.8926 6.4573 6.4573 7.4366 7.4366 7.8631 7.8631 7.9238 7.9238 8.1211 8.1211 9.0913 9.0913 k = 0.1372-0.4295-0.7685 ( 8351 PWs) bands (ev): -11.4726 -11.4726 -11.4596 -11.4596 -8.9427 -8.9427 -8.9195 -8.9195 -8.8923 -8.8923 -5.7186 -5.7186 -5.3348 -5.3348 -4.9450 -4.9450 -4.1339 -4.1339 -2.0497 -2.0497 -1.3647 -1.3647 -0.5280 -0.5280 2.5895 2.5895 3.0179 3.0179 3.3448 3.3448 3.5627 3.5627 3.8459 3.8459 4.1900 4.1900 4.4332 4.4332 4.5999 4.5999 5.7616 5.7616 5.8374 5.8374 5.8697 5.8697 6.4652 6.4652 7.4337 7.4337 7.8926 7.8926 7.9316 7.9316 8.1123 8.1123 9.1939 9.1939 k = 0.1440-0.4510-0.8070 ( 8339 PWs) bands (ev): -11.4725 -11.4725 -11.4597 -11.4597 -8.9435 -8.9435 -8.9197 -8.9197 -8.8918 -8.8918 -5.6719 -5.6719 -5.2909 -5.2909 -4.9075 -4.9075 -4.1144 -4.1144 -2.0512 -2.0512 -1.4247 -1.4247 -0.5930 -0.5930 2.5105 2.5105 2.9236 2.9236 3.3034 3.3034 3.5335 3.5335 3.7614 3.7614 4.1209 4.1209 4.3670 4.3670 4.5343 4.5343 5.7383 5.7383 5.8265 5.8265 5.8437 5.8437 6.4552 6.4552 7.4468 7.4468 7.9173 7.9173 7.9395 7.9395 8.1197 8.1197 9.2812 9.2812 k = 0.1509-0.4725-0.8454 ( 8345 PWs) bands (ev): -11.4724 -11.4724 -11.4599 -11.4599 -8.9443 -8.9443 -8.9200 -8.9200 -8.8913 -8.8913 -5.6233 -5.6233 -5.2454 -5.2454 -4.8690 -4.8690 -4.0951 -4.0951 -2.0551 -2.0551 -1.4867 -1.4867 -0.6585 -0.6585 2.4373 2.4373 2.8332 2.8332 3.2604 3.2604 3.4886 3.4886 3.6918 3.6918 4.0520 4.0520 4.3088 4.3088 4.4737 4.4737 5.7125 5.7125 5.7991 5.7991 5.8258 5.8258 6.4285 6.4285 7.4752 7.4752 7.9252 7.9252 7.9651 7.9651 8.1393 8.1393 9.3522 9.3522 k = 0.1577-0.4939-0.8838 ( 8349 PWs) bands (ev): -11.4723 -11.4723 -11.4600 -11.4600 -8.9451 -8.9451 -8.9202 -8.9202 -8.8909 -8.8909 -5.5729 -5.5729 -5.1984 -5.1984 -4.8294 -4.8294 -4.0761 -4.0761 -2.0617 -2.0617 -1.5504 -1.5504 -0.7240 -0.7240 2.3703 2.3703 2.7472 2.7472 3.2142 3.2142 3.4208 3.4208 3.6441 3.6441 3.9848 3.9848 4.2587 4.2587 4.4188 4.4188 5.6834 5.6834 5.7583 5.7583 5.8138 5.8138 6.3874 6.3874 7.5166 7.5166 7.9315 7.9315 7.9981 7.9981 8.1664 8.1664 9.4070 9.4070 k = 0.1646-0.5154-0.9222 ( 8351 PWs) bands (ev): -11.4722 -11.4722 -11.4601 -11.4601 -8.9459 -8.9459 -8.9204 -8.9204 -8.8904 -8.8904 -5.5207 -5.5207 -5.1501 -5.1501 -4.7889 -4.7889 -4.0577 -4.0577 -2.0713 -2.0713 -1.6156 -1.6156 -0.7893 -0.7893 2.3100 2.3100 2.6661 2.6661 3.1636 3.1636 3.3349 3.3349 3.6124 3.6124 3.9202 3.9202 4.2174 4.2174 4.3708 4.3708 5.6488 5.6488 5.7130 5.7130 5.8010 5.8010 6.3350 6.3350 7.5681 7.5681 7.9450 7.9450 8.0327 8.0327 8.1980 8.1980 9.4458 9.4458 k = 0.1715-0.5369-0.9607 ( 8361 PWs) bands (ev): -11.4721 -11.4721 -11.4603 -11.4603 -8.9467 -8.9467 -8.9207 -8.9207 -8.8899 -8.8899 -5.4669 -5.4669 -5.1005 -5.1005 -4.7476 -4.7476 -4.0399 -4.0399 -2.0842 -2.0842 -1.6820 -1.6820 -0.8537 -0.8537 2.2567 2.2567 2.5901 2.5901 3.1075 3.1075 3.2405 3.2405 3.5863 3.5863 3.8582 3.8582 4.1858 4.1858 4.3308 4.3308 5.6039 5.6039 5.6695 5.6695 5.7867 5.7867 6.2742 6.2742 7.6270 7.6270 7.9680 7.9680 8.0682 8.0682 8.2323 8.2323 9.4693 9.4693 k = 0.1783-0.5584-0.9991 ( 8365 PWs) bands (ev): -11.4720 -11.4720 -11.4604 -11.4604 -8.9475 -8.9475 -8.9210 -8.9210 -8.8894 -8.8894 -5.4115 -5.4115 -5.0499 -5.0499 -4.7058 -4.7058 -4.0229 -4.0229 -2.1005 -2.1005 -1.7494 -1.7494 -0.9170 -0.9170 2.2107 2.2107 2.5198 2.5198 3.0455 3.0455 3.1437 3.1437 3.5591 3.5591 3.7980 3.7980 4.1647 4.1647 4.3001 4.3001 5.5463 5.5463 5.6313 5.6313 5.7701 5.7701 6.2077 6.2077 7.6909 7.6909 8.0008 8.0008 8.1042 8.1042 8.2685 8.2685 9.4784 9.4784 k = 0.1852-0.5799-1.0375 ( 8367 PWs) bands (ev): -11.4719 -11.4719 -11.4605 -11.4605 -8.9481 -8.9481 -8.9213 -8.9213 -8.8889 -8.8889 -5.3546 -5.3546 -4.9983 -4.9983 -4.6636 -4.6636 -4.0068 -4.0068 -2.1204 -2.1204 -1.8173 -1.8173 -0.9787 -0.9787 2.1721 2.1721 2.4552 2.4552 2.9770 2.9770 3.0482 3.0482 3.5272 3.5272 3.7388 3.7388 4.1547 4.1547 4.2795 4.2795 5.4792 5.4792 5.5965 5.5965 5.7508 5.7508 6.1379 6.1379 7.7578 7.7578 8.0433 8.0433 8.1407 8.1407 8.3060 8.3060 9.4739 9.4739 k = 0.1920-0.6013-1.0759 ( 8379 PWs) bands (ev): -11.4718 -11.4718 -11.4606 -11.4606 -8.9488 -8.9488 -8.9216 -8.9216 -8.8885 -8.8885 -5.2965 -5.2965 -4.9459 -4.9459 -4.6211 -4.6211 -3.9919 -3.9919 -2.1440 -2.1440 -1.8856 -1.8856 -1.0385 -1.0385 2.1413 2.1413 2.3968 2.3968 2.9013 2.9013 2.9573 2.9573 3.4894 3.4894 3.6792 3.6792 4.1553 4.1553 4.2693 4.2693 5.4062 5.4062 5.5629 5.5629 5.7282 5.7282 6.0671 6.0671 7.8265 7.8265 8.0945 8.0945 8.1774 8.1774 8.3445 8.3445 9.4572 9.4572 k = 0.1989-0.6228-1.1144 ( 8381 PWs) bands (ev): -11.4717 -11.4717 -11.4608 -11.4608 -8.9493 -8.9493 -8.9220 -8.9220 -8.8881 -8.8881 -5.2371 -5.2371 -4.8930 -4.8930 -4.5785 -4.5785 -3.9782 -3.9782 -2.1712 -2.1712 -1.9539 -1.9539 -1.0962 -1.0962 2.1180 2.1180 2.3447 2.3447 2.8185 2.8185 2.8729 2.8729 3.4455 3.4455 3.6187 3.6187 4.1654 4.1654 4.2693 4.2693 5.3297 5.3297 5.5294 5.5294 5.7013 5.7013 5.9975 5.9975 7.8959 7.8959 8.1531 8.1531 8.2147 8.2147 8.3838 8.3838 9.4300 9.4300 k = 0.2057-0.6443-1.1528 ( 8391 PWs) bands (ev): -11.4715 -11.4715 -11.4609 -11.4609 -8.9498 -8.9498 -8.9224 -8.9224 -8.8876 -8.8876 -5.1767 -5.1767 -4.8397 -4.8397 -4.5360 -4.5360 -3.9659 -3.9659 -2.2019 -2.2019 -2.0218 -2.0218 -1.1514 -1.1514 2.1024 2.1024 2.2993 2.2993 2.7318 2.7318 2.7937 2.7937 3.3963 3.3963 3.5567 3.5567 4.1836 4.1836 4.2784 4.2784 5.2514 5.2514 5.4957 5.4957 5.6693 5.6693 5.9316 5.9316 7.9650 7.9650 8.2166 8.2166 8.2531 8.2531 8.4241 8.4241 9.3940 9.3940 k = 0.2126-0.6658-1.1912 ( 8383 PWs) bands (ev): -11.4714 -11.4714 -11.4610 -11.4610 -8.9502 -8.9502 -8.9229 -8.9229 -8.8873 -8.8873 -5.1154 -5.1154 -4.7863 -4.7863 -4.4938 -4.4938 -3.9550 -3.9550 -2.2359 -2.2359 -2.0892 -2.0892 -1.2040 -1.2040 2.0941 2.0941 2.2611 2.2611 2.6449 2.6449 2.7173 2.7173 3.3429 3.3429 3.4932 3.4932 4.2078 4.2078 4.2954 4.2954 5.1728 5.1728 5.4617 5.4617 5.6313 5.6313 5.8715 5.8715 8.0328 8.0328 8.2780 8.2780 8.2981 8.2981 8.4660 8.4660 9.3513 9.3513 k = 0.2195-0.6872-1.2296 ( 8381 PWs) bands (ev): -11.4713 -11.4713 -11.4612 -11.4612 -8.9505 -8.9505 -8.9234 -8.9234 -8.8869 -8.8869 -5.0535 -5.0535 -4.7331 -4.7331 -4.4521 -4.4521 -3.9456 -3.9456 -2.2729 -2.2729 -2.1556 -2.1556 -1.2539 -1.2539 2.0925 2.0925 2.2304 2.2304 2.5604 2.5604 2.6428 2.6428 3.2862 3.2862 3.4284 3.4284 4.2356 4.2356 4.3186 4.3186 5.0952 5.0952 5.4278 5.4278 5.5875 5.5875 5.8183 5.8183 8.0974 8.0974 8.3240 8.3240 8.3602 8.3602 8.5113 8.5113 9.3041 9.3041 k = 0.2263-0.7087-1.2681 ( 8377 PWs) bands (ev): -11.4712 -11.4712 -11.4613 -11.4613 -8.9507 -8.9507 -8.9240 -8.9240 -8.8865 -8.8865 -4.9912 -4.9912 -4.6803 -4.6803 -4.4111 -4.4111 -3.9377 -3.9377 -2.3125 -2.3125 -2.2208 -2.2208 -1.3009 -1.3009 2.0964 2.0964 2.2084 2.2084 2.4794 2.4794 2.5702 2.5702 3.2272 3.2272 3.3625 3.3625 4.2639 4.2639 4.3468 4.3468 5.0202 5.0202 5.3945 5.3945 5.5399 5.5399 5.7720 5.7720 8.1564 8.1564 8.3666 8.3666 8.4245 8.4245 8.5626 8.5626 9.2547 9.2547 k = 0.2332-0.7302-1.3065 ( 8375 PWs) bands (ev): -11.4711 -11.4711 -11.4614 -11.4614 -8.9508 -8.9508 -8.9246 -8.9246 -8.8862 -8.8862 -4.9287 -4.9287 -4.6284 -4.6284 -4.3710 -4.3710 -3.9315 -3.9315 -2.3542 -2.3542 -2.2842 -2.2842 -1.3451 -1.3451 2.1035 2.1035 2.1971 2.1971 2.4028 2.4028 2.5001 2.5001 3.1667 3.1667 3.2958 3.2958 4.2888 4.2888 4.3788 4.3788 4.9496 4.9496 5.3625 5.3625 5.4915 5.4915 5.7311 5.7311 8.2062 8.2062 8.4106 8.4106 8.4831 8.4831 8.6230 8.6230 9.2054 9.2054 k = 0.2400-0.7517-1.3449 ( 8379 PWs) bands (ev): -11.4709 -11.4709 -11.4616 -11.4616 -8.9508 -8.9508 -8.9253 -8.9253 -8.8859 -8.8859 -4.8663 -4.8663 -4.5778 -4.5778 -4.3319 -4.3319 -3.9268 -3.9268 -2.3975 -2.3975 -2.3457 -2.3457 -1.3863 -1.3863 2.1101 2.1101 2.1991 2.1991 2.3317 2.3317 2.4329 2.4329 3.1053 3.1053 3.2286 3.2286 4.3055 4.3055 4.4132 4.4132 4.8858 4.8858 5.3329 5.3329 5.4465 5.4465 5.6938 5.6938 8.2440 8.2440 8.4534 8.4534 8.5377 8.5377 8.6918 8.6918 9.1586 9.1587 k = 0.2469-0.7731-1.3833 ( 8379 PWs) bands (ev): -11.4708 -11.4708 -11.4617 -11.4617 -8.9507 -8.9507 -8.9260 -8.9260 -8.8857 -8.8857 -4.8043 -4.8043 -4.5289 -4.5289 -4.2942 -4.2942 -3.9236 -3.9236 -2.4420 -2.4420 -2.4047 -2.4047 -1.4247 -1.4247 2.1129 2.1129 2.2149 2.2149 2.2685 2.2685 2.3698 2.3698 3.0436 3.0436 3.1613 3.1613 4.3095 4.3095 4.4477 4.4477 4.8312 4.8312 5.3072 5.3072 5.4088 5.4088 5.6588 5.6588 8.2681 8.2681 8.4880 8.4880 8.5952 8.5952 8.7645 8.7645 9.1162 9.1163 k = 0.2538-0.7946-1.4218 ( 8373 PWs) bands (ev): -11.4707 -11.4707 -11.4619 -11.4619 -8.9504 -8.9504 -8.9267 -8.9267 -8.8855 -8.8855 -4.7433 -4.7433 -4.4822 -4.4822 -4.2578 -4.2578 -3.9219 -3.9219 -2.4871 -2.4871 -2.4608 -2.4608 -1.4600 -1.4600 2.1098 2.1098 2.2077 2.2077 2.2498 2.2498 2.3132 2.3132 2.9819 2.9819 3.0940 3.0940 4.2978 4.2978 4.4780 4.4780 4.7882 4.7882 5.2872 5.2872 5.3822 5.3822 5.6251 5.6251 8.2783 8.2783 8.5087 8.5087 8.6589 8.6589 8.8342 8.8342 9.0784 9.0784 k = 0.2606-0.8161-1.4602 ( 8385 PWs) bands (ev): -11.4705 -11.4705 -11.4620 -11.4620 -8.9501 -8.9501 -8.9276 -8.9276 -8.8853 -8.8853 -4.6835 -4.6835 -4.4384 -4.4384 -4.2230 -4.2230 -3.9214 -3.9214 -2.5323 -2.5323 -2.5134 -2.5134 -1.4924 -1.4924 2.0927 2.0927 2.1735 2.1735 2.2544 2.2544 2.2971 2.2971 2.9208 2.9208 3.0271 3.0271 4.2698 4.2698 4.4984 4.4984 4.7579 4.7579 5.2750 5.2750 5.3700 5.3700 5.5921 5.5921 8.2745 8.2745 8.5146 8.5146 8.7245 8.7245 8.8921 8.8921 9.0453 9.0453 k = 0.2675-0.8376-1.4986 ( 8397 PWs) bands (ev): -11.4704 -11.4704 -11.4622 -11.4622 -8.9497 -8.9497 -8.9284 -8.9284 -8.8851 -8.8851 -4.6256 -4.6256 -4.3979 -4.3979 -4.1898 -4.1898 -3.9220 -3.9220 -2.5772 -2.5772 -2.5620 -2.5620 -1.5217 -1.5217 2.0577 2.0577 2.1501 2.1501 2.2281 2.2281 2.3413 2.3413 2.8605 2.8605 2.9608 2.9608 4.2276 4.2276 4.5032 4.5032 4.7400 4.7400 5.2726 5.2726 5.3743 5.3743 5.5596 5.5596 8.2571 8.2571 8.5055 8.5055 8.7833 8.7833 8.9291 8.9291 9.0276 9.0276 k = 0.2743-0.8590-1.5371 ( 8397 PWs) bands (ev): -11.4702 -11.4702 -11.4623 -11.4623 -8.9492 -8.9492 -8.9293 -8.9293 -8.8850 -8.8850 -4.5701 -4.5701 -4.3616 -4.3616 -4.1583 -4.1583 -3.9235 -3.9235 -2.6206 -2.6206 -2.6065 -2.6065 -1.5481 -1.5481 2.0174 2.0174 2.1172 2.1172 2.2295 2.2295 2.3953 2.3953 2.8017 2.8017 2.8953 2.8953 4.1748 4.1748 4.4901 4.4901 4.7305 4.7305 5.2825 5.2825 5.3947 5.3947 5.5278 5.5278 8.2270 8.2270 8.4812 8.4812 8.8233 8.8233 8.9411 8.9411 9.0478 9.0478 k = 0.2812-0.8805-1.5755 ( 8411 PWs) bands (ev): -11.4701 -11.4701 -11.4625 -11.4625 -8.9485 -8.9485 -8.9303 -8.9303 -8.8848 -8.8848 -4.5176 -4.5176 -4.3301 -4.3301 -4.1285 -4.1285 -3.9257 -3.9257 -2.6615 -2.6615 -2.6470 -2.6470 -1.5715 -1.5715 1.9792 1.9792 2.0785 2.0785 2.2507 2.2507 2.4548 2.4548 2.7450 2.7450 2.8308 2.8308 4.1152 4.1152 4.4617 4.4617 4.7230 4.7230 5.3064 5.3064 5.4272 5.4272 5.4988 5.4988 8.1858 8.1858 8.4422 8.4422 8.8397 8.8397 8.9454 8.9454 9.1037 9.1037 k = 0.2880-0.9020-1.6139 ( 8409 PWs) bands (ev): -11.4699 -11.4699 -11.4626 -11.4626 -8.9479 -8.9479 -8.9313 -8.9313 -8.8848 -8.8848 -4.4688 -4.4688 -4.3039 -4.3039 -4.1005 -4.1005 -3.9284 -3.9284 -2.6988 -2.6988 -2.6834 -2.6834 -1.5918 -1.5918 1.9455 1.9455 2.0413 2.0413 2.2831 2.2831 2.5169 2.5169 2.6925 2.6925 2.7677 2.7677 4.0517 4.0517 4.4230 4.4230 4.7118 4.7118 5.3441 5.3441 5.4461 5.4461 5.4961 5.4961 8.1358 8.1358 8.3904 8.3904 8.8428 8.8428 8.9537 8.9537 9.1781 9.1781 k = 0.2949-0.9235-1.6523 ( 8411 PWs) bands (ev): -11.4698 -11.4698 -11.4628 -11.4628 -8.9471 -8.9471 -8.9323 -8.9323 -8.8847 -8.8847 -4.4244 -4.4244 -4.2836 -4.2836 -4.0741 -4.0741 -3.9314 -3.9314 -2.7321 -2.7321 -2.7151 -2.7151 -1.6091 -1.6091 1.9171 1.9171 2.0081 2.0081 2.3235 2.3235 2.5676 2.5676 2.6572 2.6572 2.7068 2.7068 3.9862 3.9862 4.3780 4.3780 4.6949 4.6949 5.3902 5.3902 5.4273 5.4273 5.5449 5.5449 8.0794 8.0794 8.3291 8.3291 8.8430 8.8430 8.9646 8.9646 9.2606 9.2606 k = 0.3018-0.9449-1.6908 ( 8401 PWs) bands (ev): -11.4697 -11.4697 -11.4629 -11.4629 -8.9463 -8.9463 -8.9333 -8.9333 -8.8846 -8.8846 -4.3850 -4.3850 -4.2693 -4.2693 -4.0496 -4.0496 -3.9349 -3.9349 -2.7611 -2.7611 -2.7415 -2.7415 -1.6234 -1.6234 1.8944 1.8944 1.9799 1.9799 2.3706 2.3706 2.5569 2.5569 2.6423 2.6423 2.6949 2.6949 3.9204 3.9204 4.3298 4.3298 4.6724 4.6724 5.3857 5.3857 5.4623 5.4623 5.6073 5.6073 8.0185 8.0185 8.2615 8.2615 8.8442 8.8442 8.9761 8.9761 9.3463 9.3463 k = 0.3086-0.9664-1.7292 ( 8393 PWs) bands (ev): -11.4696 -11.4696 -11.4630 -11.4630 -8.9454 -8.9454 -8.9343 -8.9343 -8.8846 -8.8846 -4.3511 -4.3511 -4.2610 -4.2610 -4.0271 -4.0271 -3.9392 -3.9392 -2.7855 -2.7855 -2.7622 -2.7622 -1.6348 -1.6348 1.8772 1.8772 1.9573 1.9573 2.4229 2.4229 2.5145 2.5145 2.5861 2.5861 2.7644 2.7644 3.8555 3.8555 4.2805 4.2805 4.6454 4.6454 5.3555 5.3555 5.5295 5.5295 5.6751 5.6751 7.9552 7.9552 8.1907 8.1907 8.8466 8.8466 8.9874 8.9874 9.4321 9.4321 k = 0.3155-0.9879-1.7676 ( 8397 PWs) bands (ev): -11.4695 -11.4695 -11.4631 -11.4631 -8.9446 -8.9446 -8.9352 -8.9352 -8.8846 -8.8846 -4.3229 -4.3229 -4.2584 -4.2584 -4.0069 -4.0069 -3.9444 -3.9444 -2.8047 -2.8047 -2.7770 -2.7770 -1.6433 -1.6433 1.8654 1.8654 1.9408 1.9408 2.4590 2.4590 2.4873 2.4873 2.5346 2.5346 2.8429 2.8429 3.7924 3.7924 4.2317 4.2317 4.6153 4.6153 5.3241 5.3241 5.6024 5.6024 5.7454 5.7454 7.8909 7.8909 8.1193 8.1193 8.8497 8.8497 8.9979 8.9979 9.5158 9.5158 k = 0.3223-1.0094-1.8060 ( 8393 PWs) bands (ev): -11.4694 -11.4694 -11.4631 -11.4631 -8.9439 -8.9439 -8.9360 -8.9360 -8.8846 -8.8846 -4.3007 -4.3007 -4.2607 -4.2607 -3.9895 -3.9895 -3.9509 -3.9509 -2.8185 -2.8185 -2.7860 -2.7860 -1.6489 -1.6489 1.8585 1.8585 1.9309 1.9309 2.4203 2.4203 2.4700 2.4700 2.5570 2.5570 2.9240 2.9240 3.7323 3.7323 4.1850 4.1850 4.5832 4.5832 5.2928 5.2928 5.6775 5.6775 5.8161 5.8161 7.8272 7.8272 8.0497 8.0497 8.8531 8.8531 9.0072 9.0072 9.5949 9.5949 k = 0.3292-1.0308-1.8445 ( 8397 PWs) bands (ev): -11.4694 -11.4694 -11.4632 -11.4632 -8.9435 -8.9435 -8.9365 -8.9365 -8.8846 -8.8846 -4.2851 -4.2851 -4.2665 -4.2665 -3.9761 -3.9761 -3.9583 -3.9583 -2.8266 -2.8266 -2.7896 -2.7896 -1.6518 -1.6518 1.8561 1.8561 1.9276 1.9276 2.3788 2.3788 2.4209 2.4209 2.6242 2.6242 3.0049 3.0049 3.6766 3.6766 4.1415 4.1415 4.5502 4.5502 5.2621 5.2621 5.7521 5.7521 5.8849 5.8849 7.7656 7.7656 7.9845 7.9845 8.8561 8.8561 9.0151 9.0151 9.6670 9.6670 k = 0.3361-1.0523-1.8829 ( 8403 PWs) bands (ev): -11.4694 -11.4694 -11.4632 -11.4632 -8.9434 -8.9434 -8.9365 -8.9365 -8.8846 -8.8846 -4.2827 -4.2827 -4.2679 -4.2679 -3.9742 -3.9742 -3.9597 -3.9597 -2.8289 -2.8289 -2.7883 -2.7883 -1.6520 -1.6520 1.8575 1.8575 1.9306 1.9306 2.3401 2.3401 2.3742 2.3742 2.6973 2.6973 3.0824 3.0824 3.6274 3.6274 4.1028 4.1028 4.5171 4.5171 5.2322 5.2322 5.8234 5.8234 5.9498 5.9498 7.7078 7.7078 7.9258 7.9258 8.8585 8.8585 9.0215 9.0215 9.7289 9.7289 k = 0.6639-0.9744-1.8372 ( 8403 PWs) bands (ev): -11.4694 -11.4694 -11.4632 -11.4632 -8.9434 -8.9434 -8.9365 -8.9365 -8.8846 -8.8846 -4.2827 -4.2827 -4.2679 -4.2679 -3.9742 -3.9742 -3.9597 -3.9597 -2.8289 -2.8289 -2.7883 -2.7883 -1.6520 -1.6520 1.8575 1.8575 1.9306 1.9306 2.3401 2.3401 2.3742 2.3742 2.6973 2.6973 3.0824 3.0824 3.6274 3.6274 4.1028 4.1028 4.5171 4.5171 5.2322 5.2322 5.8234 5.8234 5.9498 5.9498 7.7078 7.7078 7.9258 7.9258 8.8585 8.8585 9.0215 9.0215 9.7289 9.7289 k = 0.6571-0.9306-1.8372 ( 8403 PWs) bands (ev): -11.4694 -11.4694 -11.4631 -11.4631 -8.9438 -8.9438 -8.9361 -8.9361 -8.8846 -8.8846 -4.2944 -4.2944 -4.2629 -4.2629 -3.9851 -3.9851 -3.9540 -3.9540 -2.8257 -2.8257 -2.7828 -2.7828 -1.6495 -1.6495 1.8621 1.8621 1.9389 1.9389 2.3047 2.3047 2.3332 2.3332 2.7732 2.7732 3.1517 3.1517 3.5885 3.5885 4.0708 4.0708 4.4848 4.4848 5.2036 5.2036 5.8884 5.8884 6.0079 6.0079 7.6563 7.6563 7.8764 7.8764 8.8599 8.8599 9.0262 9.0262 9.7761 9.7761 k = 0.6503-0.8867-1.8372 ( 8405 PWs) bands (ev): -11.4695 -11.4695 -11.4631 -11.4631 -8.9446 -8.9446 -8.9353 -8.9353 -8.8846 -8.8846 -4.3101 -4.3101 -4.2605 -4.2605 -3.9994 -3.9994 -3.9507 -3.9507 -2.8175 -2.8175 -2.7737 -2.7737 -1.6445 -1.6445 1.8690 1.8690 1.9507 1.9507 2.2720 2.2720 2.3015 2.3015 2.8500 2.8500 3.2066 3.2066 3.5649 3.5649 4.0476 4.0476 4.4539 4.4539 5.1764 5.1764 5.9443 5.9443 6.0567 6.0567 7.6136 7.6136 7.8384 7.8384 8.8602 8.8602 9.0291 9.0291 9.8041 9.8041 k = 0.6435-0.8429-1.8372 ( 8407 PWs) bands (ev): -11.4696 -11.4696 -11.4630 -11.4630 -8.9455 -8.9455 -8.9342 -8.9342 -8.8845 -8.8845 -4.3277 -4.3277 -4.2614 -4.2614 -4.0157 -4.0157 -3.9507 -3.9507 -2.8050 -2.8050 -2.7619 -2.7619 -1.6371 -1.6371 1.8771 1.8771 1.9628 1.9628 2.2429 2.2429 2.2826 2.2826 2.9244 2.9244 3.2413 3.2413 3.5619 3.5619 4.0359 4.0359 4.4255 4.4255 5.1508 5.1508 5.9882 5.9882 6.0929 6.0929 7.5831 7.5831 7.8136 7.8136 8.8594 8.8594 9.0302 9.0302 9.8077 9.8077 k = 0.6366-0.7990-1.8372 ( 8403 PWs) bands (ev): -11.4697 -11.4697 -11.4629 -11.4629 -8.9466 -8.9466 -8.9331 -8.9331 -8.8845 -8.8845 -4.3468 -4.3468 -4.2654 -4.2654 -4.0334 -4.0334 -3.9539 -3.9539 -2.7889 -2.7889 -2.7479 -2.7479 -1.6272 -1.6272 1.8843 1.8843 1.9714 1.9714 2.2212 2.2212 2.2787 2.2787 2.9898 2.9898 3.2590 3.2590 3.5782 3.5782 4.0385 4.0385 4.4010 4.4010 5.1274 5.1274 6.0179 6.0179 6.1132 6.1132 7.5684 7.5684 7.8034 7.8034 8.8572 8.8572 9.0294 9.0294 9.7831 9.7831 k = 0.6298-0.7552-1.8372 ( 8401 PWs) bands (ev): -11.4698 -11.4698 -11.4627 -11.4627 -8.9478 -8.9478 -8.9319 -8.9319 -8.8845 -8.8845 -4.3668 -4.3668 -4.2718 -4.2718 -4.0522 -4.0522 -3.9599 -3.9599 -2.7703 -2.7703 -2.7326 -2.7326 -1.6151 -1.6151 1.8881 1.8881 1.9729 1.9729 2.2113 2.2113 2.2914 2.2914 3.0349 3.0349 3.2756 3.2756 3.6053 3.6053 4.0561 4.0561 4.3830 4.3830 5.1066 5.1066 6.0319 6.0319 6.1146 6.1146 7.5725 7.5725 7.8086 7.8086 8.8536 8.8536 9.0263 9.0263 9.7291 9.7291 k = 0.6230-0.7113-1.8372 ( 8409 PWs) bands (ev): -11.4700 -11.4700 -11.4626 -11.4626 -8.9489 -8.9489 -8.9306 -8.9306 -8.8845 -8.8845 -4.3874 -4.3874 -4.2803 -4.2803 -4.0718 -4.0718 -3.9682 -3.9682 -2.7500 -2.7500 -2.7164 -2.7164 -1.6008 -1.6008 1.8861 1.8861 1.9660 1.9660 2.2167 2.2167 2.3208 2.3208 3.0499 3.0499 3.3055 3.3055 3.6374 3.6374 4.0847 4.0847 4.3756 4.3756 5.0890 5.0890 6.0297 6.0297 6.0957 6.0957 7.5969 7.5969 7.8285 7.8285 8.8483 8.8483 9.0209 9.0209 9.6482 9.6482 k = 0.6161-0.6675-1.8372 ( 8399 PWs) bands (ev): -11.4702 -11.4702 -11.4624 -11.4624 -8.9501 -8.9501 -8.9294 -8.9294 -8.8844 -8.8844 -4.4082 -4.4082 -4.2904 -4.2904 -4.0917 -4.0917 -3.9783 -3.9783 -2.7289 -2.7289 -2.6998 -2.6998 -1.5845 -1.5845 1.8772 1.8772 1.9527 1.9527 2.2378 2.2378 2.3651 2.3651 3.0395 3.0395 3.3437 3.3437 3.6766 3.6766 4.1148 4.1148 4.3855 4.3855 5.0756 5.0756 6.0119 6.0119 6.0570 6.0570 7.6411 7.6411 7.8617 7.8617 8.8409 8.8409 9.0124 9.0124 9.5454 9.5454 k = 0.6093-0.6237-1.8372 ( 8403 PWs) bands (ev): -11.4704 -11.4704 -11.4622 -11.4622 -8.9513 -8.9513 -8.9281 -8.9281 -8.8843 -8.8843 -4.4289 -4.4289 -4.3018 -4.3018 -4.1118 -4.1118 -3.9898 -3.9898 -2.7077 -2.7077 -2.6832 -2.6832 -1.5663 -1.5663 1.8622 1.8622 1.9361 1.9361 2.2734 2.2734 2.4216 2.4216 3.0153 3.0153 3.3759 3.3759 3.7278 3.7278 4.1365 4.1365 4.4178 4.4178 5.0675 5.0675 5.9786 5.9786 6.0019 6.0019 7.7028 7.7028 7.9059 7.9059 8.8304 8.8304 9.0001 9.0001 9.4267 9.4267 k = 0.6025-0.5798-1.8372 ( 8403 PWs) bands (ev): -11.4706 -11.4706 -11.4620 -11.4620 -8.9524 -8.9524 -8.9269 -8.9269 -8.8842 -8.8842 -4.4494 -4.4494 -4.3140 -4.3140 -4.1316 -4.1316 -4.0021 -4.0021 -2.6871 -2.6871 -2.6670 -2.6670 -1.5466 -1.5466 1.8426 1.8426 1.9184 1.9184 2.3212 2.3212 2.4879 2.4879 2.9852 2.9852 3.3952 3.3952 3.7914 3.7914 4.1486 4.1486 4.4700 4.4700 5.0663 5.0663 5.9198 5.9198 5.9457 5.9457 7.7786 7.7786 7.9582 7.9582 8.8149 8.8149 8.9826 8.9826 9.2989 9.2989 k = 0.5956-0.5360-1.8372 ( 8401 PWs) bands (ev): -11.4708 -11.4708 -11.4618 -11.4618 -8.9536 -8.9536 -8.9257 -8.9257 -8.8841 -8.8841 -4.4694 -4.4694 -4.3268 -4.3268 -4.1510 -4.1510 -4.0149 -4.0149 -2.6676 -2.6676 -2.6515 -2.6515 -1.5255 -1.5255 1.8202 1.8202 1.9012 1.9012 2.3792 2.3792 2.5622 2.5622 2.9531 2.9531 3.4028 3.4028 3.8601 3.8601 4.1594 4.1594 4.5326 4.5326 5.0738 5.0738 5.8363 5.8363 5.8934 5.8934 7.8641 7.8641 8.0155 8.0155 8.7898 8.7898 8.9574 8.9574 9.1713 9.1713 k = 0.5888-0.4921-1.8372 ( 8397 PWs) bands (ev): -11.4710 -11.4710 -11.4616 -11.4616 -8.9546 -8.9546 -8.9246 -8.9246 -8.8840 -8.8840 -4.4887 -4.4887 -4.3399 -4.3399 -4.1698 -4.1698 -4.0278 -4.0278 -2.6496 -2.6496 -2.6367 -2.6367 -1.5034 -1.5034 1.7966 1.7966 1.8849 1.8849 2.4458 2.4458 2.6430 2.6430 2.9210 2.9210 3.4026 3.4026 3.9204 3.9204 4.1814 4.1814 4.5964 4.5964 5.0910 5.0910 5.7416 5.7416 5.8386 5.8386 7.9536 7.9536 8.0757 8.0757 8.7454 8.7454 8.9204 8.9204 9.0594 9.0594 k = 0.5820-0.4483-1.8372 ( 8397 PWs) bands (ev): -11.4712 -11.4712 -11.4614 -11.4614 -8.9556 -8.9556 -8.9236 -8.9236 -8.8838 -8.8838 -4.5072 -4.5072 -4.3529 -4.3529 -4.1878 -4.1878 -4.0407 -4.0407 -2.6332 -2.6332 -2.6228 -2.6228 -1.4808 -1.4808 1.7730 1.7730 1.8699 1.8699 2.5199 2.5199 2.7288 2.7288 2.8904 2.8904 3.3982 3.3982 3.9588 3.9588 4.2253 4.2253 4.6557 4.6557 5.1167 5.1167 5.6400 5.6400 5.7851 5.7851 8.0355 8.0355 8.1407 8.1407 8.6680 8.6680 8.8678 8.8678 8.9852 8.9852 k = 0.5751-0.4044-1.8372 ( 8401 PWs) bands (ev): -11.4714 -11.4714 -11.4612 -11.4612 -8.9566 -8.9566 -8.9226 -8.9226 -8.8837 -8.8837 -4.5246 -4.5246 -4.3656 -4.3656 -4.2048 -4.2048 -4.0531 -4.0531 -2.6186 -2.6186 -2.6100 -2.6100 -1.4579 -1.4579 1.7501 1.7501 1.8563 1.8563 2.6004 2.6004 2.8136 2.8136 2.8672 2.8672 3.3919 3.3919 3.9740 3.9740 4.2888 4.2888 4.7093 4.7093 5.1443 5.1443 5.5349 5.5349 5.7407 5.7407 8.0899 8.0899 8.2183 8.2183 8.5578 8.5578 8.8096 8.8096 8.9483 8.9483 k = 0.5683-0.3606-1.8372 ( 8383 PWs) bands (ev): -11.4716 -11.4716 -11.4610 -11.4610 -8.9575 -8.9575 -8.9217 -8.9217 -8.8835 -8.8835 -4.5410 -4.5410 -4.3779 -4.3779 -4.2207 -4.2207 -4.0650 -4.0650 -2.6058 -2.6058 -2.5982 -2.5982 -1.4352 -1.4352 1.7283 1.7283 1.8442 1.8442 2.6865 2.6865 2.8251 2.8251 2.9227 2.9227 3.3855 3.3855 3.9749 3.9749 4.3576 4.3576 4.7596 4.7596 5.1605 5.1605 5.4301 5.4301 5.7175 5.7175 8.1023 8.1023 8.3006 8.3006 8.4419 8.4419 8.7590 8.7590 8.9319 8.9319 k = 0.5615-0.3167-1.8372 ( 8383 PWs) bands (ev): -11.4718 -11.4718 -11.4608 -11.4608 -8.9584 -8.9584 -8.9209 -8.9209 -8.8833 -8.8833 -4.5560 -4.5560 -4.3896 -4.3896 -4.2354 -4.2354 -4.0762 -4.0762 -2.5947 -2.5947 -2.5877 -2.5877 -1.4132 -1.4132 1.7081 1.7081 1.8335 1.8335 2.7763 2.7763 2.8027 2.8027 3.0177 3.0177 3.3802 3.3802 3.9690 3.9690 4.4185 4.4185 4.8084 4.8084 5.1516 5.1516 5.3315 5.3315 5.7273 5.7273 8.0635 8.0635 8.2908 8.2908 8.4291 8.4291 8.7220 8.7220 8.9284 8.9284 k = 0.5546-0.2729-1.8372 ( 8383 PWs) bands (ev): -11.4720 -11.4720 -11.4607 -11.4607 -8.9591 -8.9591 -8.9201 -8.9201 -8.8831 -8.8831 -4.5698 -4.5698 -4.4004 -4.4004 -4.2488 -4.2488 -4.0865 -4.0865 -2.5851 -2.5851 -2.5785 -2.5785 -1.3922 -1.3922 1.6896 1.6896 1.8243 1.8243 2.7780 2.7780 2.8728 2.8728 3.1147 3.1147 3.3782 3.3782 3.9604 3.9604 4.4639 4.4639 4.8466 4.8466 5.1192 5.1192 5.2479 5.2479 5.7722 5.7722 7.9686 7.9686 8.2097 8.2097 8.5032 8.5032 8.7014 8.7014 8.9368 8.9368 k = 0.5478-0.2290-1.8372 ( 8379 PWs) bands (ev): -11.4722 -11.4722 -11.4605 -11.4605 -8.9598 -8.9598 -8.9195 -8.9195 -8.8829 -8.8829 -4.5821 -4.5821 -4.4102 -4.4102 -4.2608 -4.2608 -4.0958 -4.0958 -2.5769 -2.5769 -2.5706 -2.5706 -1.3727 -1.3727 1.6730 1.6730 1.8164 1.8164 2.7573 2.7573 2.9701 2.9701 3.2068 3.2068 3.3841 3.3841 3.9511 3.9511 4.4918 4.4918 4.8440 4.8440 5.0781 5.0781 5.2030 5.2030 5.8435 5.8435 7.8377 7.8377 8.1368 8.1368 8.5624 8.5624 8.6967 8.6967 8.9594 8.9594 k = 0.5410-0.1852-1.8372 ( 8377 PWs) bands (ev): -11.4723 -11.4723 -11.4604 -11.4604 -8.9604 -8.9604 -8.9189 -8.9189 -8.8828 -8.8828 -4.5929 -4.5929 -4.4190 -4.4190 -4.2713 -4.2713 -4.1040 -4.1040 -2.5699 -2.5699 -2.5640 -2.5640 -1.3550 -1.3550 1.6585 1.6585 1.8098 1.8098 2.7391 2.7391 3.0687 3.0687 3.2773 3.2773 3.4138 3.4138 3.9420 3.9420 4.5023 4.5023 4.7883 4.7883 5.0150 5.0150 5.2318 5.2318 5.9298 5.9298 7.6941 7.6941 8.0666 8.0666 8.5900 8.5900 8.7064 8.7064 8.9967 8.9967 k = 0.5342-0.1413-1.8372 ( 8385 PWs) bands (ev): -11.4724 -11.4724 -11.4603 -11.4603 -8.9609 -8.9609 -8.9185 -8.9185 -8.8826 -8.8826 -4.6022 -4.6022 -4.4266 -4.4266 -4.2803 -4.2803 -4.1111 -4.1111 -2.5641 -2.5641 -2.5586 -2.5586 -1.3395 -1.3395 1.6461 1.6461 1.8044 1.8044 2.7234 2.7234 3.1666 3.1666 3.3084 3.3084 3.4838 3.4838 3.9341 3.9341 4.4918 4.4918 4.7132 4.7132 4.9366 4.9366 5.3047 5.3047 6.0226 6.0226 7.5496 7.5496 7.9987 7.9987 8.5910 8.5910 8.7208 8.7208 9.0373 9.0373 k = 0.5273-0.0975-1.8372 ( 8385 PWs) bands (ev): -11.4725 -11.4725 -11.4602 -11.4602 -8.9614 -8.9614 -8.9181 -8.9181 -8.8825 -8.8825 -4.6098 -4.6098 -4.4329 -4.4329 -4.2877 -4.2877 -4.1170 -4.1170 -2.5595 -2.5595 -2.5544 -2.5544 -1.3264 -1.3264 1.6359 1.6359 1.8002 1.8002 2.7105 2.7105 3.2606 3.2606 3.3175 3.3175 3.5753 3.5753 3.9284 3.9284 4.4479 4.4479 4.6543 4.6543 4.8565 4.8565 5.3886 5.3886 6.1159 6.1159 7.4109 7.4109 7.9356 7.9356 8.5792 8.5792 8.7315 8.7315 9.0591 9.0591 k = 0.5205-0.0536-1.8372 ( 8381 PWs) bands (ev): -11.4726 -11.4726 -11.4601 -11.4601 -8.9617 -8.9617 -8.9178 -8.9178 -8.8824 -8.8824 -4.6158 -4.6158 -4.4378 -4.4378 -4.2935 -4.2935 -4.1216 -4.1216 -2.5559 -2.5559 -2.5512 -2.5512 -1.3159 -1.3159 1.6279 1.6279 1.7969 1.7969 2.7004 2.7004 3.3188 3.3188 3.3479 3.3479 3.6694 3.6694 3.9272 3.9272 4.3678 4.3678 4.6259 4.6259 4.7818 4.7818 5.4681 5.4681 6.2040 6.2040 7.2844 7.2844 7.8810 7.8810 8.5632 8.5632 8.7378 8.7378 9.0639 9.0639 k = 0.5137-0.0098-1.8372 ( 8368 PWs) bands (ev): -11.4726 -11.4726 -11.4601 -11.4601 -8.9619 -8.9619 -8.9176 -8.9176 -8.8823 -8.8823 -4.6201 -4.6201 -4.4414 -4.4414 -4.2977 -4.2977 -4.1249 -4.1249 -2.5533 -2.5533 -2.5490 -2.5490 -1.3083 -1.3083 1.6222 1.6222 1.7947 1.7947 2.6931 2.6931 3.3198 3.3198 3.4191 3.4191 3.7533 3.7533 3.9378 3.9378 4.2697 4.2697 4.6170 4.6170 4.7183 4.7183 5.5331 5.5331 6.2804 6.2804 7.1782 7.1782 7.8385 7.8385 8.5482 8.5482 8.7413 8.7413 9.0637 9.0637 k = 0.5068 0.0341-1.8372 ( 8366 PWs) bands (ev): -11.4727 -11.4727 -11.4601 -11.4601 -8.9621 -8.9621 -8.9174 -8.9174 -8.8822 -8.8822 -4.6226 -4.6226 -4.4436 -4.4436 -4.3002 -4.3002 -4.1269 -4.1269 -2.5518 -2.5518 -2.5477 -2.5477 -1.3037 -1.3037 1.6187 1.6187 1.7934 1.7934 2.6887 2.6887 3.3199 3.3199 3.4679 3.4679 3.8074 3.8074 3.9764 3.9764 4.1700 4.1700 4.6188 4.6188 4.6714 4.6714 5.5760 5.5760 6.3351 6.3351 7.1043 7.1043 7.8113 7.8113 8.5379 8.5379 8.7430 8.7430 9.0628 9.0628 k = 0.5000 0.0779-1.8372 ( 8374 PWs) bands (ev): -11.4727 -11.4727 -11.4601 -11.4601 -8.9621 -8.9621 -8.9174 -8.9174 -8.8822 -8.8822 -4.6235 -4.6235 -4.4443 -4.4443 -4.3010 -4.3010 -4.1276 -4.1276 -2.5513 -2.5513 -2.5473 -2.5473 -1.3022 -1.3022 1.6176 1.6176 1.7929 1.7929 2.6873 2.6873 3.3199 3.3199 3.4854 3.4854 3.8229 3.8229 4.0245 4.0245 4.1033 4.1033 4.6247 4.6247 4.6500 4.6500 5.5909 5.5909 6.3556 6.3556 7.0772 7.0772 7.8019 7.8019 8.5342 8.5342 8.7435 8.7435 9.0624 9.0624 k = 0.5000 0.0779-1.8372 ( 8374 PWs) bands (ev): -11.4727 -11.4727 -11.4601 -11.4601 -8.9621 -8.9621 -8.9174 -8.9174 -8.8822 -8.8822 -4.6235 -4.6235 -4.4443 -4.4443 -4.3010 -4.3010 -4.1276 -4.1276 -2.5513 -2.5513 -2.5473 -2.5473 -1.3022 -1.3022 1.6176 1.6176 1.7929 1.7929 2.6873 2.6873 3.3199 3.3199 3.4854 3.4854 3.8229 3.8229 4.0245 4.0245 4.1033 4.1033 4.6247 4.6247 4.6500 4.6500 5.5909 5.5909 6.3556 6.3556 7.0772 7.0772 7.8019 7.8019 8.5342 8.5342 8.7435 8.7435 9.0624 9.0624 k = 0.5410 0.0843-1.8258 ( 8361 PWs) bands (ev): -11.4727 -11.4727 -11.4600 -11.4600 -8.9621 -8.9621 -8.9174 -8.9174 -8.8822 -8.8822 -4.6237 -4.6237 -4.4444 -4.4444 -4.3012 -4.3012 -4.1274 -4.1274 -2.5624 -2.5624 -2.5358 -2.5358 -1.3023 -1.3023 1.5999 1.5999 1.8154 1.8154 2.6894 2.6894 3.3209 3.3209 3.4787 3.4787 3.8037 3.8037 4.0316 4.0316 4.0955 4.0955 4.6061 4.6061 4.6966 4.6966 5.5895 5.5895 6.3433 6.3433 7.0886 7.0886 7.8092 7.8092 8.5259 8.5259 8.6720 8.6720 9.1390 9.1390 k = 0.5820 0.0907-1.8143 ( 8364 PWs) bands (ev): -11.4727 -11.4727 -11.4601 -11.4601 -8.9621 -8.9621 -8.9174 -8.9174 -8.8822 -8.8822 -4.6244 -4.6244 -4.4447 -4.4447 -4.3016 -4.3016 -4.1268 -4.1268 -2.5748 -2.5748 -2.5223 -2.5223 -1.3028 -1.3028 1.5621 1.5621 1.8674 1.8674 2.6957 2.6957 3.3238 3.3238 3.4591 3.4591 3.7543 3.7543 4.0239 4.0239 4.0989 4.0989 4.6061 4.6061 4.7733 4.7733 5.5861 5.5861 6.3090 6.3090 7.1208 7.1208 7.8306 7.8306 8.4691 8.4691 8.5754 8.5754 9.2581 9.2581 k = 0.6230 0.0971-1.8029 ( 8359 PWs) bands (ev): -11.4727 -11.4727 -11.4601 -11.4601 -8.9621 -8.9621 -8.9174 -8.9174 -8.8822 -8.8822 -4.6254 -4.6254 -4.4452 -4.4452 -4.3022 -4.3022 -4.1258 -4.1258 -2.5866 -2.5866 -2.5086 -2.5086 -1.3036 -1.3036 1.5206 1.5206 1.9323 1.9323 2.7063 2.7063 3.3277 3.3277 3.4291 3.4291 3.6870 3.6870 3.9824 3.9824 4.1330 4.1330 4.6281 4.6281 4.8602 4.8602 5.5828 5.5828 6.2580 6.2580 7.1683 7.1683 7.8648 7.8648 8.3310 8.3310 8.5437 8.5437 9.2438 9.2438 k = 0.6639 0.1034-1.7915 ( 8364 PWs) bands (ev): -11.4727 -11.4727 -11.4601 -11.4601 -8.9621 -8.9621 -8.9174 -8.9174 -8.8822 -8.8822 -4.6270 -4.6270 -4.4458 -4.4458 -4.3030 -4.3030 -4.1246 -4.1246 -2.5978 -2.5978 -2.4949 -2.4949 -1.3046 -1.3046 1.4813 1.4813 2.0037 2.0037 2.7209 2.7209 3.3289 3.3289 3.3937 3.3937 3.6104 3.6104 3.9310 3.9310 4.1780 4.1780 4.6647 4.6647 4.9466 4.9466 5.5833 5.5833 6.1965 6.1965 7.2253 7.2253 7.9086 7.9086 8.1795 8.1795 8.5242 8.5242 9.1990 9.1990 k = 0.6639 0.1034-1.7915 ( 8364 PWs) bands (ev): -11.4727 -11.4727 -11.4601 -11.4601 -8.9621 -8.9621 -8.9174 -8.9174 -8.8822 -8.8822 -4.6270 -4.6270 -4.4458 -4.4458 -4.3030 -4.3030 -4.1246 -4.1246 -2.5978 -2.5978 -2.4949 -2.4949 -1.3046 -1.3046 1.4813 1.4813 2.0037 2.0037 2.7209 2.7209 3.3289 3.3289 3.3937 3.3937 3.6104 3.6104 3.9310 3.9310 4.1780 4.1780 4.6647 4.6647 4.9466 4.9466 5.5833 5.5833 6.1965 6.1965 7.2253 7.2253 7.9086 7.9086 8.1795 8.1795 8.5242 8.5242 9.1990 9.1990 k = 0.6600 0.1028-1.7477 ( 8373 PWs) bands (ev): -11.4727 -11.4727 -11.4601 -11.4601 -8.9620 -8.9620 -8.9174 -8.9174 -8.8823 -8.8823 -4.6414 -4.6414 -4.4605 -4.4605 -4.3037 -4.3037 -4.1159 -4.1159 -2.5681 -2.5681 -2.5102 -2.5102 -1.2977 -1.2977 1.4595 1.4595 2.0613 2.0613 2.7180 2.7180 3.3297 3.3297 3.3908 3.3908 3.5606 3.5606 3.9468 3.9468 4.1683 4.1683 4.6754 4.6754 4.9859 4.9859 5.6040 5.6040 6.2116 6.2116 7.2151 7.2151 7.8961 7.8961 8.0989 8.0989 8.5233 8.5233 9.2106 9.2106 k = 0.6561 0.1022-1.7040 ( 8375 PWs) bands (ev): -11.4727 -11.4727 -11.4601 -11.4601 -8.9618 -8.9618 -8.9174 -8.9174 -8.8824 -8.8824 -4.6659 -4.6659 -4.4887 -4.4887 -4.3012 -4.3012 -4.1038 -4.1038 -2.5321 -2.5321 -2.5183 -2.5183 -1.2876 -1.2876 1.4443 1.4443 2.1211 2.1211 2.7210 2.7210 3.3312 3.3312 3.3779 3.3779 3.5258 3.5258 3.9667 3.9667 4.1601 4.1601 4.6821 4.6821 5.0317 5.0317 5.6279 5.6279 6.2286 6.2286 7.2055 7.2055 7.8800 7.8800 8.0269 8.0269 8.5245 8.5245 9.2210 9.2210 k = 0.6522 0.1016-1.6603 ( 8365 PWs) bands (ev): -11.4727 -11.4727 -11.4601 -11.4601 -8.9615 -8.9615 -8.9175 -8.9175 -8.8826 -8.8826 -4.6986 -4.6986 -4.5268 -4.5268 -4.2979 -4.2979 -4.0906 -4.0906 -2.5235 -2.5235 -2.4861 -2.4861 -1.2746 -1.2746 1.4360 1.4360 2.1816 2.1816 2.7300 2.7300 3.3240 3.3240 3.3612 3.3612 3.5117 3.5117 3.9896 3.9896 4.1536 4.1536 4.6868 4.6868 5.0802 5.0802 5.6550 5.6550 6.2478 6.2478 7.1964 7.1964 7.8541 7.8541 7.9713 7.9713 8.5271 8.5271 9.2300 9.2300 k = 0.6483 0.1010-1.6165 ( 8364 PWs) bands (ev): -11.4726 -11.4726 -11.4601 -11.4601 -8.9610 -8.9610 -8.9175 -8.9175 -8.8828 -8.8828 -4.7376 -4.7376 -4.5719 -4.5719 -4.2961 -4.2961 -4.0782 -4.0782 -2.5193 -2.5193 -2.4371 -2.4371 -1.2587 -1.2587 1.4349 1.4349 2.2416 2.2416 2.7448 2.7448 3.2939 3.2939 3.3626 3.3626 3.5133 3.5133 4.0149 4.0149 4.1490 4.1490 4.6913 4.6913 5.1283 5.1283 5.6850 5.6850 6.2692 6.2692 7.1874 7.1874 7.8132 7.8132 7.9390 7.9390 8.5310 8.5310 9.2376 9.2376 k = 0.6444 0.1004-1.5728 ( 8356 PWs) bands (ev): -11.4726 -11.4726 -11.4601 -11.4601 -8.9605 -8.9605 -8.9176 -8.9176 -8.8831 -8.8831 -4.7813 -4.7813 -4.6218 -4.6218 -4.2970 -4.2970 -4.0682 -4.0682 -2.5084 -2.5084 -2.3836 -2.3836 -1.2403 -1.2403 1.4410 1.4410 2.2993 2.2993 2.7646 2.7646 3.2585 3.2585 3.3741 3.3741 3.5235 3.5235 4.0416 4.0416 4.1470 4.1470 4.6967 4.6967 5.1743 5.1743 5.7168 5.7168 6.2931 6.2931 7.1780 7.1780 7.7650 7.7650 7.9240 7.9240 8.5358 8.5358 9.2434 9.2434 k = 0.6405 0.0998-1.5290 ( 8349 PWs) bands (ev): -11.4726 -11.4726 -11.4601 -11.4601 -8.9599 -8.9599 -8.9176 -8.9176 -8.8834 -8.8834 -4.8286 -4.8286 -4.6751 -4.6751 -4.3011 -4.3011 -4.0616 -4.0616 -2.4905 -2.4905 -2.3264 -2.3264 -1.2194 -1.2194 1.4545 1.4545 2.3536 2.3536 2.7874 2.7874 3.2307 3.2307 3.3905 3.3905 3.5386 3.5386 4.0680 4.0680 4.1490 4.1490 4.7037 4.7037 5.2170 5.2170 5.7493 5.7493 6.3196 6.3196 7.1680 7.1680 7.7198 7.7198 7.9175 7.9175 8.5413 8.5413 9.2473 9.2473 k = 0.6366 0.0992-1.4853 ( 8348 PWs) bands (ev): -11.4726 -11.4726 -11.4601 -11.4601 -8.9593 -8.9593 -8.9177 -8.9177 -8.8838 -8.8838 -4.8785 -4.8785 -4.7308 -4.7308 -4.3088 -4.3088 -4.0589 -4.0589 -2.4661 -2.4661 -2.2668 -2.2668 -1.1960 -1.1960 1.4756 1.4756 2.4031 2.4031 2.8099 2.8099 3.2172 3.2172 3.4112 3.4112 3.5568 3.5568 4.0909 4.0909 4.1581 4.1581 4.7127 4.7127 5.2560 5.2560 5.7807 5.7807 6.3486 6.3486 7.1570 7.1570 7.6832 7.6832 7.9156 7.9156 8.5473 8.5473 9.2489 9.2489 k = 0.6327 0.0986-1.4415 ( 8347 PWs) bands (ev): -11.4725 -11.4725 -11.4601 -11.4601 -8.9585 -8.9585 -8.9178 -8.9178 -8.8842 -8.8842 -4.9303 -4.9303 -4.7880 -4.7880 -4.3200 -4.3200 -4.0602 -4.0602 -2.4356 -2.4356 -2.2055 -2.2055 -1.1703 -1.1703 1.5044 1.5044 2.4473 2.4473 2.8283 2.8283 3.2231 3.2231 3.4365 3.4365 3.5774 3.5774 4.1067 4.1067 4.1780 4.1780 4.7240 4.7240 5.2912 5.2912 5.8094 5.8094 6.3797 6.3797 7.1452 7.1452 7.6578 7.6578 7.9168 7.9168 8.5534 8.5534 9.2481 9.2481 k = 0.6288 0.0980-1.3978 ( 8351 PWs) bands (ev): -11.4725 -11.4725 -11.4601 -11.4601 -8.9577 -8.9577 -8.9179 -8.9179 -8.8846 -8.8846 -4.9834 -4.9834 -4.8461 -4.8461 -4.3347 -4.3347 -4.0654 -4.0654 -2.3998 -2.3998 -2.1436 -2.1436 -1.1421 -1.1421 1.5407 1.5407 2.4854 2.4854 2.8415 2.8415 3.2496 3.2496 3.4670 3.4670 3.6001 3.6001 4.1166 4.1166 4.2074 4.2074 4.7379 4.7379 5.3228 5.3228 5.8337 5.8337 6.4126 6.4126 7.1329 7.1329 7.6449 7.6449 7.9209 7.9209 8.5593 8.5593 9.2443 9.2443 k = 0.6249 0.0974-1.3541 ( 8349 PWs) bands (ev): -11.4725 -11.4725 -11.4601 -11.4601 -8.9568 -8.9568 -8.9180 -8.9180 -8.8851 -8.8851 -5.0373 -5.0373 -4.9047 -4.9047 -4.3526 -4.3526 -4.0742 -4.0742 -2.3593 -2.3593 -2.0819 -2.0819 -1.1113 -1.1113 1.5846 1.5846 2.5170 2.5170 2.8522 2.8522 3.2931 3.2931 3.5042 3.5042 3.6247 3.6247 4.1248 4.1248 4.2423 4.2423 4.7545 4.7545 5.3512 5.3512 5.8523 5.8523 6.4461 6.4461 7.1212 7.1212 7.6447 7.6447 7.9278 7.9278 8.5646 8.5646 9.2374 9.2374 k = 0.6210 0.0968-1.3103 ( 8359 PWs) bands (ev): -11.4725 -11.4725 -11.4601 -11.4601 -8.9558 -8.9558 -8.9181 -8.9181 -8.8856 -8.8856 -5.0916 -5.0916 -4.9633 -4.9633 -4.3736 -4.3736 -4.0863 -4.0863 -2.3152 -2.3152 -2.0214 -2.0214 -1.0776 -1.0776 1.6359 1.6359 2.5416 2.5416 2.8652 2.8652 3.3466 3.3466 3.5493 3.5493 3.6516 3.6516 4.1340 4.1340 4.2804 4.2804 4.7739 4.7739 5.3768 5.3768 5.8646 5.8646 6.4792 6.4792 7.1112 7.1112 7.6564 7.6564 7.9381 7.9381 8.5686 8.5686 9.2271 9.2271 k = 0.6171 0.0961-1.2666 ( 8362 PWs) bands (ev): -11.4724 -11.4724 -11.4601 -11.4601 -8.9548 -8.9548 -8.9182 -8.9182 -8.8862 -8.8862 -5.1460 -5.1460 -5.0217 -5.0217 -4.3972 -4.3972 -4.1011 -4.1011 -2.2684 -2.2684 -1.9628 -1.9628 -1.0406 -1.0406 1.6945 1.6945 2.5596 2.5596 2.8848 2.8848 3.4030 3.4030 3.6027 3.6027 3.6826 3.6826 4.1458 4.1458 4.3204 4.3204 4.7962 4.7962 5.3998 5.3998 5.8706 5.8706 6.5108 6.5108 7.1038 7.1038 7.6783 7.6783 7.9527 7.9527 8.5708 8.5708 9.2132 9.2132 k = 0.6132 0.0955-1.2228 ( 8363 PWs) bands (ev): -11.4724 -11.4724 -11.4601 -11.4601 -8.9537 -8.9537 -8.9183 -8.9183 -8.8867 -8.8867 -5.2001 -5.2001 -5.0794 -5.0794 -4.4231 -4.4231 -4.1183 -4.1183 -2.2196 -2.2196 -1.9071 -1.9071 -1.0001 -1.0001 1.7602 1.7602 2.5725 2.5725 2.9128 2.9128 3.4575 3.4575 3.6574 3.6574 3.7246 3.7246 4.1618 4.1618 4.3618 4.3618 4.8213 4.8213 5.4203 5.4203 5.8705 5.8705 6.5401 6.5401 7.0996 7.0996 7.7079 7.7079 7.9733 7.9733 8.5705 8.5705 9.1956 9.1956 k = 0.6093 0.0949-1.1791 ( 8366 PWs) bands (ev): -11.4724 -11.4724 -11.4600 -11.4600 -8.9526 -8.9526 -8.9184 -8.9184 -8.8873 -8.8873 -5.2538 -5.2538 -5.1364 -5.1364 -4.4509 -4.4509 -4.1375 -4.1375 -2.1699 -2.1699 -1.8548 -1.8548 -0.9558 -0.9558 1.8326 1.8326 2.5827 2.5827 2.9493 2.9493 3.5086 3.5086 3.6999 3.6999 3.7882 3.7882 4.1840 4.1840 4.4043 4.4043 4.8493 4.8493 5.4386 5.4386 5.8653 5.8653 6.5663 6.5663 7.0989 7.0989 7.7417 7.7417 8.0021 8.0021 8.5668 8.5668 9.1743 9.1743 k = 0.6054 0.0943-1.1353 ( 8355 PWs) bands (ev): -11.4724 -11.4724 -11.4600 -11.4600 -8.9514 -8.9514 -8.9185 -8.9185 -8.8879 -8.8879 -5.3067 -5.3067 -5.1924 -5.1924 -4.4803 -4.4803 -4.1583 -4.1583 -2.1201 -2.1201 -1.8066 -1.8066 -0.9073 -0.9073 1.9113 1.9113 2.5931 2.5931 2.9931 2.9931 3.5573 3.5573 3.7316 3.7316 3.8661 3.8661 4.2156 4.2156 4.4476 4.4476 4.8800 4.8800 5.4546 5.4546 5.8562 5.8562 6.5893 6.5893 7.1014 7.1014 7.7755 7.7755 8.0417 8.0417 8.5589 8.5589 9.1495 9.1495 k = 0.6015 0.0937-1.0916 ( 8354 PWs) bands (ev): -11.4724 -11.4724 -11.4600 -11.4600 -8.9502 -8.9502 -8.9186 -8.9186 -8.8885 -8.8885 -5.3587 -5.3587 -5.2472 -5.2472 -4.5109 -4.5109 -4.1805 -4.1805 -2.0709 -2.0709 -1.7627 -1.7627 -0.8547 -0.8547 1.9957 1.9957 2.6061 2.6061 3.0430 3.0430 3.6048 3.6048 3.7588 3.7588 3.9449 3.9449 4.2608 4.2608 4.4916 4.4916 4.9132 4.9132 5.4687 5.4687 5.8445 5.8445 6.6088 6.6088 7.1068 7.1068 7.8060 7.8060 8.0937 8.0937 8.5460 8.5460 9.1212 9.1212 k = 0.5976 0.0931-1.0479 ( 8367 PWs) bands (ev): -11.4725 -11.4725 -11.4599 -11.4599 -8.9491 -8.9491 -8.9187 -8.9187 -8.8891 -8.8891 -5.4097 -5.4097 -5.3007 -5.3007 -4.5423 -4.5423 -4.2036 -4.2036 -2.0232 -2.0232 -1.7232 -1.7232 -0.7979 -0.7979 2.0853 2.0853 2.6239 2.6239 3.0981 3.0981 3.6521 3.6521 3.7837 3.7837 4.0157 4.0157 4.3236 4.3236 4.5364 4.5364 4.9485 4.9485 5.4812 5.4812 5.8317 5.8317 6.6249 6.6249 7.1148 7.1148 7.8319 7.8319 8.1574 8.1574 8.5275 8.5275 9.0897 9.0897 k = 0.5937 0.0925-1.0041 ( 8371 PWs) bands (ev): -11.4725 -11.4725 -11.4598 -11.4598 -8.9479 -8.9479 -8.9188 -8.9188 -8.8897 -8.8897 -5.4595 -5.4595 -5.3528 -5.3528 -4.5744 -4.5744 -4.2274 -4.2274 -1.9775 -1.9775 -1.6879 -1.6879 -0.7373 -0.7373 2.1791 2.1791 2.6483 2.6483 3.1575 3.1575 3.6994 3.6994 3.8072 3.8072 4.0751 4.0751 4.4043 4.4043 4.5828 4.5828 4.9856 4.9856 5.4926 5.4926 5.8189 5.8189 6.6373 6.6373 7.1250 7.1250 7.8535 7.8535 8.2302 8.2302 8.5026 8.5026 9.0550 9.0550 k = 0.5898 0.0919-0.9604 ( 8358 PWs) bands (ev): -11.4726 -11.4726 -11.4598 -11.4598 -8.9467 -8.9467 -8.9188 -8.9188 -8.8903 -8.8903 -5.5079 -5.5079 -5.4033 -5.4033 -4.6066 -4.6066 -4.2518 -4.2518 -1.9345 -1.9345 -1.6565 -1.6565 -0.6733 -0.6733 2.2761 2.2761 2.6809 2.6809 3.2205 3.2205 3.7460 3.7460 3.8307 3.8307 4.1249 4.1249 4.4967 4.4967 4.6328 4.6328 5.0237 5.0237 5.5042 5.5042 5.8072 5.8072 6.6458 6.6458 7.1374 7.1374 7.8720 7.8720 8.3079 8.3079 8.4720 8.4720 9.0170 9.0170 k = 0.5859 0.0913-0.9166 ( 8359 PWs) bands (ev): -11.4726 -11.4726 -11.4597 -11.4597 -8.9456 -8.9456 -8.9188 -8.9188 -8.8909 -8.8909 -5.5549 -5.5549 -5.4521 -5.4521 -4.6389 -4.6389 -4.2765 -4.2765 -1.8948 -1.8948 -1.6285 -1.6285 -0.6065 -0.6065 2.3745 2.3745 2.7235 2.7235 3.2868 3.2868 3.7887 3.7887 3.8576 3.8576 4.1693 4.1693 4.5877 4.5877 4.6934 4.6934 5.0623 5.0623 5.5176 5.5176 5.7972 5.7972 6.6502 6.6502 7.1516 7.1516 7.8885 7.8885 8.3786 8.3786 8.4434 8.4434 8.9753 8.9753 k = 0.5820 0.0907-0.8729 ( 8352 PWs) bands (ev): -11.4727 -11.4727 -11.4596 -11.4596 -8.9445 -8.9445 -8.9188 -8.9188 -8.8915 -8.8915 -5.6003 -5.6003 -5.4993 -5.4993 -4.6709 -4.6709 -4.3012 -4.3012 -1.8589 -1.8589 -1.6032 -1.6032 -0.5374 -0.5374 2.4724 2.4724 2.7780 2.7780 3.3559 3.3559 3.8216 3.8216 3.8941 3.8941 4.2114 4.2114 4.6602 4.6602 4.7755 4.7755 5.1013 5.1013 5.5351 5.5351 5.7893 5.7893 6.6500 6.6500 7.1678 7.1678 7.9039 7.9039 8.3720 8.3720 8.4834 8.4834 8.9285 8.9285 k = 0.5781 0.0901-0.8292 ( 8349 PWs) bands (ev): -11.4728 -11.4728 -11.4595 -11.4595 -8.9434 -8.9434 -8.9187 -8.9187 -8.8920 -8.8920 -5.6440 -5.6440 -5.5446 -5.5446 -4.7025 -4.7025 -4.3259 -4.3259 -1.8272 -1.8272 -1.5801 -1.5801 -0.4667 -0.4667 2.5677 2.5677 2.8462 2.8462 3.4273 3.4273 3.8435 3.8435 3.9421 3.9421 4.2528 4.2528 4.7140 4.7140 4.8726 4.8726 5.1425 5.1425 5.5593 5.5593 5.7836 5.7836 6.6451 6.6451 7.1858 7.1858 7.9188 7.9188 8.3218 8.3218 8.5536 8.5536 8.8715 8.8715 k = 0.5742 0.0895-0.7854 ( 8332 PWs) bands (ev): -11.4728 -11.4728 -11.4594 -11.4594 -8.9425 -8.9425 -8.9186 -8.9186 -8.8926 -8.8926 -5.6860 -5.6860 -5.5881 -5.5881 -4.7334 -4.7334 -4.3502 -4.3502 -1.7997 -1.7997 -1.5587 -1.5587 -0.3950 -0.3950 2.6589 2.6589 2.9291 2.9291 3.5008 3.5008 3.8590 3.8590 3.9973 3.9973 4.2944 4.2944 4.7591 4.7591 4.9649 4.9649 5.1915 5.1915 5.5916 5.5916 5.7806 5.7806 6.6351 6.6351 7.2055 7.2055 7.9334 7.9334 8.2619 8.2619 8.6087 8.6087 8.7869 8.7869 k = 0.5703 0.0888-0.7417 ( 8340 PWs) bands (ev): -11.4729 -11.4729 -11.4592 -11.4592 -8.9416 -8.9416 -8.9184 -8.9184 -8.8931 -8.8931 -5.7262 -5.7262 -5.6296 -5.6296 -4.7635 -4.7635 -4.3742 -4.3742 -1.7766 -1.7766 -1.5386 -1.5386 -0.3230 -0.3230 2.7466 2.7466 3.0254 3.0254 3.5756 3.5756 3.8715 3.8715 4.0569 4.0569 4.3365 4.3365 4.8001 4.8001 5.0360 5.0360 5.2579 5.2579 5.6315 5.6315 5.7824 5.7824 6.6199 6.6199 7.2268 7.2268 7.9480 7.9480 8.1950 8.1950 8.5909 8.5909 8.7154 8.7154 k = 0.5664 0.0882-0.6979 ( 8342 PWs) bands (ev): -11.4730 -11.4730 -11.4591 -11.4591 -8.9408 -8.9408 -8.9182 -8.9182 -8.8936 -8.8936 -5.7645 -5.7645 -5.6691 -5.6691 -4.7927 -4.7927 -4.3976 -4.3976 -1.7577 -1.7577 -1.5196 -1.5196 -0.2513 -0.2513 2.8326 2.8326 3.1321 3.1321 3.6508 3.6508 3.8834 3.8834 4.1198 4.1198 4.3791 4.3791 4.8378 4.8378 5.0816 5.0816 5.3433 5.3433 5.6723 5.6723 5.7960 5.7960 6.5994 6.5994 7.2494 7.2494 7.9623 7.9623 8.1215 8.1215 8.4734 8.4734 8.6843 8.6843 k = 0.5625 0.0876-0.6542 ( 8340 PWs) bands (ev): -11.4732 -11.4732 -11.4590 -11.4590 -8.9401 -8.9401 -8.9179 -8.9179 -8.8940 -8.8940 -5.8009 -5.8009 -5.7066 -5.7066 -4.8207 -4.8207 -4.4203 -4.4203 -1.7426 -1.7426 -1.5018 -1.5018 -0.1803 -0.1803 2.9192 2.9192 3.2456 3.2456 3.7242 3.7242 3.8980 3.8980 4.1853 4.1853 4.4220 4.4220 4.8723 4.8723 5.1113 5.1113 5.4369 5.4369 5.7002 5.7002 5.8350 5.8350 6.5737 6.5737 7.2734 7.2734 7.9751 7.9751 8.0413 8.0413 8.3405 8.3405 8.6282 8.6282 k = 0.5586 0.0870-0.6104 ( 8341 PWs) bands (ev): -11.4733 -11.4733 -11.4589 -11.4589 -8.9395 -8.9395 -8.9175 -8.9175 -8.8945 -8.8945 -5.8353 -5.8353 -5.7420 -5.7420 -4.8475 -4.8475 -4.4422 -4.4422 -1.7308 -1.7308 -1.4851 -1.4851 -0.1108 -0.1108 3.0081 3.0081 3.3624 3.3624 3.7896 3.7896 3.9222 3.9222 4.2527 4.2527 4.4652 4.4652 4.9031 4.9031 5.1353 5.1353 5.5270 5.5270 5.7129 5.7129 5.9020 5.9020 6.5430 6.5430 7.2984 7.2984 7.9515 7.9515 7.9851 7.9851 8.2163 8.2163 8.5593 8.5593 k = 0.5546 0.0864-0.5667 ( 8341 PWs) bands (ev): -11.4734 -11.4734 -11.4587 -11.4587 -8.9390 -8.9390 -8.9171 -8.9171 -8.8949 -8.8949 -5.8677 -5.8677 -5.7752 -5.7752 -4.8730 -4.8730 -4.4632 -4.4632 -1.7220 -1.7220 -1.4696 -1.4696 -0.0430 -0.0430 3.1002 3.1002 3.4791 3.4791 3.8361 3.8361 3.9682 3.9682 4.3212 4.3212 4.5092 4.5092 4.9298 4.9298 5.1598 5.1598 5.6003 5.6003 5.7280 5.7280 5.9845 5.9845 6.5082 6.5082 7.3245 7.3245 7.8545 7.8545 7.9748 7.9748 8.1211 8.1211 8.4837 8.4837 k = 0.5507 0.0858-0.5230 ( 8354 PWs) bands (ev): -11.4735 -11.4735 -11.4586 -11.4586 -8.9386 -8.9386 -8.9166 -8.9166 -8.8953 -8.8953 -5.8980 -5.8980 -5.8063 -5.8063 -4.8971 -4.8971 -4.4831 -4.4831 -1.7154 -1.7154 -1.4555 -1.4555 0.0224 0.0224 3.1955 3.1955 3.5918 3.5918 3.8640 3.8640 4.0379 4.0379 4.3891 4.3891 4.5549 4.5549 4.9526 4.9526 5.1881 5.1881 5.6351 5.6351 5.7711 5.7711 6.0708 6.0708 6.4707 6.4707 7.3512 7.3512 7.7484 7.7484 7.9207 7.9207 8.0849 8.0849 8.4034 8.4034 k = 0.5468 0.0852-0.4792 ( 8356 PWs) bands (ev): -11.4736 -11.4736 -11.4585 -11.4585 -8.9383 -8.9383 -8.9161 -8.9161 -8.8956 -8.8956 -5.9261 -5.9261 -5.8352 -5.8352 -4.9196 -4.9196 -4.5019 -4.5019 -1.7109 -1.7109 -1.4428 -1.4428 0.0850 0.0850 3.2936 3.2936 3.6940 3.6940 3.8892 3.8892 4.1209 4.1209 4.4534 4.4534 4.6047 4.6047 4.9722 4.9722 5.2215 5.2215 5.6365 5.6365 5.8391 5.8391 6.1498 6.1498 6.4339 6.4339 7.3781 7.3781 7.6392 7.6392 7.8424 7.8424 8.0869 8.0869 8.3196 8.3196 k = 0.5429 0.0846-0.4355 ( 8325 PWs) bands (ev): -11.4737 -11.4737 -11.4584 -11.4584 -8.9381 -8.9381 -8.9155 -8.9155 -8.8959 -8.8959 -5.9522 -5.9522 -5.8619 -5.8619 -4.9406 -4.9406 -4.5195 -4.5195 -1.7078 -1.7078 -1.4315 -1.4315 0.1445 0.1445 3.3929 3.3929 3.7734 3.7734 3.9295 3.9295 4.2105 4.2105 4.5103 4.5103 4.6618 4.6618 4.9902 4.9902 5.2602 5.2602 5.6252 5.6252 5.9115 5.9115 6.2063 6.2063 6.4061 6.4061 7.4020 7.4020 7.5374 7.5374 7.7668 7.7668 8.0986 8.0986 8.2333 8.2333 k = 0.5390 0.0840-0.3917 ( 8332 PWs) bands (ev): -11.4738 -11.4738 -11.4583 -11.4583 -8.9379 -8.9379 -8.9149 -8.9149 -8.8962 -8.8962 -5.9761 -5.9761 -5.8864 -5.8864 -4.9600 -4.9600 -4.5359 -4.5359 -1.7059 -1.7059 -1.4216 -1.4216 0.2003 0.2003 3.4905 3.4905 3.8225 3.8225 3.9963 3.9963 4.3035 4.3035 4.5574 4.5574 4.7277 4.7277 5.0081 5.0081 5.3037 5.3037 5.6092 5.6092 5.9769 5.9769 6.2251 6.2251 6.3981 6.3981 7.4010 7.4010 7.4707 7.4707 7.7034 7.7034 8.1103 8.1103 8.1467 8.1467 k = 0.5351 0.0834-0.3480 ( 8334 PWs) bands (ev): -11.4739 -11.4739 -11.4582 -11.4582 -8.9378 -8.9378 -8.9144 -8.9144 -8.8965 -8.8965 -5.9977 -5.9977 -5.9085 -5.9085 -4.9776 -4.9776 -4.5508 -4.5508 -1.7048 -1.7048 -1.4130 -1.4130 0.2522 0.2522 3.5806 3.5806 3.8586 3.8586 4.0777 4.0777 4.3967 4.3967 4.5963 4.5963 4.7998 4.7998 5.0278 5.0278 5.3512 5.3512 5.5921 5.5921 6.0202 6.0202 6.2202 6.2202 6.4003 6.4003 7.3456 7.3456 7.4663 7.4663 7.6639 7.6639 8.0544 8.0544 8.1242 8.1242 k = 0.5312 0.0828-0.3042 ( 8333 PWs) bands (ev): -11.4740 -11.4740 -11.4581 -11.4581 -8.9378 -8.9378 -8.9139 -8.9139 -8.8967 -8.8967 -6.0172 -6.0172 -5.9284 -5.9284 -4.9935 -4.9935 -4.5644 -4.5644 -1.7044 -1.7044 -1.4057 -1.4057 0.2997 0.2997 3.6530 3.6530 3.9045 3.9045 4.1606 4.1606 4.4852 4.4852 4.6320 4.6320 4.8724 4.8724 5.0513 5.0513 5.4006 5.4006 5.5781 5.5781 6.0181 6.0181 6.2274 6.2274 6.3944 6.3944 7.2893 7.2893 7.4610 7.4610 7.6628 7.6628 7.9675 7.9675 8.1257 8.1257 k = 0.5273 0.0822-0.2605 ( 8323 PWs) bands (ev): -11.4741 -11.4741 -11.4580 -11.4580 -8.9378 -8.9378 -8.9134 -8.9134 -8.8969 -8.8969 -6.0344 -6.0344 -5.9460 -5.9460 -5.0077 -5.0077 -4.5765 -4.5765 -1.7045 -1.7045 -1.3996 -1.3996 0.3425 0.3425 3.6991 3.6991 3.9729 3.9729 4.2399 4.2399 4.5601 4.5601 4.6731 4.6731 4.9379 4.9379 5.0818 5.0818 5.4458 5.4458 5.5755 5.5755 5.9732 5.9732 6.2315 6.2315 6.3945 6.3945 7.2383 7.2383 7.4477 7.4477 7.6934 7.6934 7.8872 7.8872 8.1085 8.1085 k = 0.5234 0.0815-0.2168 ( 8319 PWs) bands (ev): -11.4742 -11.4742 -11.4579 -11.4579 -8.9378 -8.9378 -8.9129 -8.9129 -8.8970 -8.8970 -6.0493 -6.0493 -5.9613 -5.9613 -5.0200 -5.0200 -4.5871 -4.5871 -1.7048 -1.7048 -1.3945 -1.3945 0.3803 0.3803 3.7228 3.7228 4.0602 4.0602 4.3141 4.3141 4.6107 4.6107 4.7288 4.7288 4.9893 4.9893 5.1217 5.1217 5.4734 5.4734 5.5998 5.5998 5.9079 5.9079 6.1904 6.1904 6.4296 6.4296 7.1845 7.1845 7.4412 7.4412 7.7135 7.7135 7.8408 7.8408 8.0627 8.0627 k = 0.5195 0.0809-0.1730 ( 8311 PWs) bands (ev): -11.4742 -11.4742 -11.4578 -11.4578 -8.9378 -8.9378 -8.9125 -8.9125 -8.8972 -8.8972 -6.0620 -6.0620 -5.9742 -5.9742 -5.0305 -5.0305 -4.5961 -4.5961 -1.7053 -1.7053 -1.3904 -1.3904 0.4129 0.4129 3.7339 3.7339 4.1547 4.1547 4.3820 4.3820 4.6421 4.6421 4.7924 4.7924 5.0261 5.0261 5.1672 5.1672 5.4836 5.4836 5.6498 5.6498 5.8380 5.8380 6.1156 6.1156 6.4861 6.4861 7.1251 7.1251 7.4451 7.4451 7.6681 7.6681 7.8606 7.8606 8.0095 8.0095 k = 0.5156 0.0803-0.1293 ( 8294 PWs) bands (ev): -11.4743 -11.4743 -11.4578 -11.4578 -8.9378 -8.9378 -8.9121 -8.9121 -8.8973 -8.8973 -6.0724 -6.0724 -5.9848 -5.9848 -5.0391 -5.0391 -4.6035 -4.6035 -1.7058 -1.7058 -1.3872 -1.3872 0.4399 0.4399 3.7387 3.7387 4.2465 4.2465 4.4425 4.4425 4.6667 4.6667 4.8502 4.8502 5.0538 5.0538 5.2094 5.2094 5.4937 5.4937 5.6818 5.6818 5.7977 5.7977 6.0272 6.0272 6.5459 6.5459 7.0624 7.0624 7.4565 7.4565 7.6008 7.6008 7.8428 7.8428 8.0241 8.0241 k = 0.5117 0.0797-0.0855 ( 8300 PWs) bands (ev): -11.4743 -11.4743 -11.4577 -11.4577 -8.9378 -8.9378 -8.9119 -8.9119 -8.8974 -8.8974 -6.0805 -6.0805 -5.9930 -5.9930 -5.0458 -5.0458 -4.6093 -4.6093 -1.7063 -1.7063 -1.3848 -1.3848 0.4611 0.4611 3.7407 3.7407 4.3272 4.3272 4.4926 4.4926 4.6918 4.6918 4.8947 4.8947 5.0758 5.0758 5.2428 5.2428 5.5133 5.5133 5.6389 5.6389 5.8391 5.8391 5.9353 5.9353 6.6002 6.6002 7.0017 7.0017 7.4709 7.4709 7.5400 7.5400 7.7766 7.7766 8.1004 8.1004 k = 0.5078 0.0791-0.0418 ( 8306 PWs) bands (ev): -11.4743 -11.4743 -11.4577 -11.4577 -8.9379 -8.9379 -8.9117 -8.9117 -8.8975 -8.8975 -6.0862 -6.0862 -5.9989 -5.9989 -5.0506 -5.0506 -4.6135 -4.6135 -1.7067 -1.7067 -1.3831 -1.3831 0.4764 0.4764 3.7412 3.7412 4.3897 4.3897 4.5287 4.5287 4.7199 4.7199 4.9243 4.9243 5.0916 5.0916 5.2666 5.2666 5.5328 5.5328 5.5930 5.5930 5.8451 5.8451 5.9009 5.9009 6.6423 6.6423 6.9500 6.9500 7.4708 7.4708 7.5102 7.5102 7.7094 7.7094 8.1870 8.1870 k = 0.5039 0.0785 0.0020 ( 8308 PWs) bands (ev): -11.4744 -11.4744 -11.4577 -11.4577 -8.9379 -8.9379 -8.9115 -8.9115 -8.8975 -8.8975 -6.0897 -6.0897 -6.0025 -6.0025 -5.0535 -5.0535 -4.6160 -4.6160 -1.7069 -1.7069 -1.3821 -1.3821 0.4856 0.4856 3.7413 3.7413 4.4291 4.4291 4.5489 4.5489 4.7454 4.7454 4.9412 4.9412 5.0997 5.0997 5.2813 5.2813 5.5094 5.5094 5.6210 5.6210 5.7603 5.7603 5.9479 5.9479 6.6673 6.6673 6.9158 6.9158 7.4456 7.4456 7.5251 7.5251 7.6559 7.6559 8.2599 8.2599 k = 0.5000 0.0779 0.0457 ( 8302 PWs) bands (ev): -11.4744 -11.4744 -11.4577 -11.4577 -8.9379 -8.9379 -8.9115 -8.9115 -8.8975 -8.8975 -6.0909 -6.0909 -6.0037 -6.0037 -5.0544 -5.0544 -4.6168 -4.6168 -1.7070 -1.7070 -1.3818 -1.3818 0.4887 0.4887 3.7413 3.7413 4.4425 4.4425 4.5551 4.5551 4.7562 4.7562 4.9468 4.9468 5.1018 5.1018 5.2864 5.2864 5.4939 5.4939 5.6817 5.6817 5.6862 5.6862 5.9654 5.9654 6.6751 6.6751 6.9041 6.9041 7.4350 7.4350 7.5372 7.5372 7.6321 7.6321 8.2841 8.2841 k = 0.5000-1.5657-0.9186 ( 8356 PWs) bands (ev): -11.4727 -11.4727 -11.4600 -11.4600 -8.9621 -8.9621 -8.9174 -8.9174 -8.8822 -8.8822 -4.6252 -4.6252 -4.4450 -4.4450 -4.2966 -4.2966 -4.1274 -4.1274 -2.6750 -2.6750 -2.4079 -2.4079 -1.3235 -1.3235 1.3510 1.3510 2.3724 2.3724 2.9397 2.9397 3.0114 3.0114 3.1889 3.1889 3.4803 3.4803 3.5930 3.5930 4.5231 4.5231 4.8126 4.8126 5.4118 5.4118 5.4252 5.4252 5.9357 5.9357 7.3571 7.3571 7.8138 7.8138 8.2296 8.2296 8.4888 8.4888 8.7265 8.7265 k = 0.5410-1.5560-0.9129 ( 8366 PWs) bands (ev): -11.4727 -11.4727 -11.4600 -11.4600 -8.9621 -8.9621 -8.9174 -8.9174 -8.8822 -8.8822 -4.6252 -4.6252 -4.4449 -4.4449 -4.2968 -4.2968 -4.1274 -4.1274 -2.6736 -2.6736 -2.4095 -2.4095 -1.3231 -1.3231 1.3531 1.3531 2.3623 2.3623 2.9268 2.9268 3.0244 3.0244 3.2027 3.2027 3.4719 3.4719 3.6049 3.6049 4.5123 4.5123 4.8162 4.8162 5.3474 5.3474 5.4894 5.4894 5.9305 5.9305 7.3684 7.3684 7.8013 7.8013 8.2399 8.2399 8.4627 8.4627 8.7530 8.7530 k = 0.5820-1.5462-0.9072 ( 8360 PWs) bands (ev): -11.4727 -11.4727 -11.4600 -11.4600 -8.9621 -8.9621 -8.9174 -8.9174 -8.8822 -8.8822 -4.6253 -4.6253 -4.4447 -4.4447 -4.2975 -4.2975 -4.1271 -4.1271 -2.6697 -2.6697 -2.4142 -2.4142 -1.3217 -1.3217 1.3595 1.3595 2.3338 2.3338 2.8979 2.8979 3.0566 3.0566 3.2389 3.2389 3.4531 3.4531 3.6340 3.6340 4.4828 4.4828 4.8228 4.8228 5.2809 5.2809 5.5528 5.5528 5.9195 5.9195 7.3981 7.3981 7.7723 7.7723 8.2603 8.2603 8.4112 8.4112 8.8112 8.8112 k = 0.6230-1.5365-0.9015 ( 8362 PWs) bands (ev): -11.4727 -11.4727 -11.4601 -11.4601 -8.9621 -8.9621 -8.9174 -8.9174 -8.8822 -8.8822 -4.6254 -4.6254 -4.4445 -4.4445 -4.2985 -4.2985 -4.1268 -4.1268 -2.6632 -2.6632 -2.4220 -2.4220 -1.3196 -1.3196 1.3700 1.3700 2.2915 2.2915 2.8636 2.8636 3.1011 3.1011 3.2888 3.2888 3.4320 3.4320 3.6725 3.6725 4.4409 4.4409 4.8240 4.8240 5.2216 5.2216 5.5986 5.5986 5.9166 5.9166 7.4308 7.4308 7.7482 7.7482 8.2531 8.2531 8.3847 8.3847 8.8786 8.8786 k = 0.6639-1.5268-0.8957 ( 8365 PWs) bands (ev): -11.4727 -11.4727 -11.4601 -11.4601 -8.9621 -8.9621 -8.9174 -8.9174 -8.8822 -8.8822 -4.6256 -4.6256 -4.4443 -4.4443 -4.2998 -4.2998 -4.1263 -4.1263 -2.6543 -2.6543 -2.4325 -2.4325 -1.3168 -1.3168 1.3846 1.3846 2.2400 2.2400 2.8289 2.8289 3.1532 3.1532 3.3460 3.3460 3.4128 3.4128 3.7169 3.7169 4.3917 4.3917 4.8126 4.8126 5.1706 5.1706 5.6160 5.6160 5.9386 5.9386 7.4392 7.4392 7.7593 7.7593 8.1969 8.1969 8.4060 8.4060 8.9473 8.9473 k = 0.7049-1.5170-0.8900 ( 8361 PWs) bands (ev): -11.4727 -11.4727 -11.4601 -11.4601 -8.9621 -8.9621 -8.9174 -8.9174 -8.8822 -8.8822 -4.6259 -4.6259 -4.4442 -4.4442 -4.3010 -4.3010 -4.1258 -4.1258 -2.6431 -2.6431 -2.4454 -2.4454 -1.3137 -1.3137 1.4032 1.4032 2.1831 2.1831 2.7961 2.7961 3.2088 3.2088 3.3868 3.3868 3.4173 3.4173 3.7660 3.7660 4.3386 4.3386 4.7862 4.7862 5.1241 5.1241 5.6093 5.6093 5.9881 5.9881 7.4088 7.4088 7.8196 7.8196 8.1261 8.1261 8.4410 8.4410 9.0149 9.0149 k = 0.7459-1.5073-0.8843 ( 8363 PWs) bands (ev): -11.4727 -11.4727 -11.4601 -11.4601 -8.9621 -8.9621 -8.9174 -8.9174 -8.8822 -8.8822 -4.6262 -4.6262 -4.4444 -4.4444 -4.3021 -4.3021 -4.1253 -4.1253 -2.6297 -2.6297 -2.4604 -2.4604 -1.3105 -1.3105 1.4257 1.4257 2.1236 2.1236 2.7667 2.7667 3.2636 3.2636 3.3772 3.3772 3.4787 3.4787 3.8189 3.8189 4.2842 4.2842 4.7484 4.7484 5.0747 5.0747 5.5952 5.5952 6.0539 6.0539 7.3538 7.3538 7.9092 7.9092 8.0613 8.0613 8.4742 8.4742 9.0802 9.0802 k = 0.7869-1.4976-0.8786 ( 8365 PWs) bands (ev): -11.4727 -11.4727 -11.4601 -11.4601 -8.9621 -8.9621 -8.9174 -8.9174 -8.8822 -8.8822 -4.6265 -4.6265 -4.4449 -4.4449 -4.3028 -4.3028 -4.1249 -4.1249 -2.6146 -2.6146 -2.4771 -2.4771 -1.3073 -1.3073 1.4519 1.4519 2.0633 2.0633 2.7415 2.7415 3.3098 3.3098 3.3729 3.3729 3.5448 3.5448 3.8745 3.8745 4.2301 4.2301 4.7057 4.7057 5.0160 5.0160 5.5855 5.5855 6.1256 6.1256 7.2899 7.2899 7.9530 7.9530 8.0668 8.0668 8.5021 8.5021 9.1423 9.1423 k = 0.8279-1.4878-0.8729 ( 8364 PWs) bands (ev): -11.4727 -11.4727 -11.4601 -11.4601 -8.9621 -8.9621 -8.9174 -8.9174 -8.8822 -8.8822 -4.6270 -4.6270 -4.4458 -4.4458 -4.3030 -4.3030 -4.1246 -4.1246 -2.5978 -2.5978 -2.4949 -2.4949 -1.3046 -1.3046 1.4813 1.4813 2.0037 2.0037 2.7209 2.7209 3.3289 3.3289 3.3937 3.3937 3.6104 3.6104 3.9310 3.9310 4.1780 4.1780 4.6647 4.6647 4.9466 4.9466 5.5833 5.5833 6.1965 6.1965 7.2253 7.2253 7.9086 7.9086 8.1795 8.1795 8.5242 8.5242 9.1990 9.1990 Writing output data file Sb2Te4Pb.save init_run : 0.78s CPU 0.96s WALL ( 1 calls) electrons : 895.35s CPU 900.42s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.15s CPU 0.23s WALL ( 1 calls) Called by electrons: c_bands : 895.34s CPU 900.41s WALL ( 1 calls) v_of_rho : 0.02s CPU 0.03s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.02s CPU 0.03s WALL ( 1 calls) newd : 0.11s CPU 0.13s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.07s WALL ( 263 calls) cegterg : 823.96s CPU 827.51s WALL ( 452 calls) Called by sum_band: Called by *egterg: h_psi : 711.27s CPU 714.96s WALL ( 7711 calls) s_psi : 9.88s CPU 9.74s WALL ( 7711 calls) g_psi : 0.25s CPU 0.24s WALL ( 6996 calls) cdiaghg : 135.36s CPU 135.86s WALL ( 7259 calls) cegterg:over : 14.45s CPU 14.26s WALL ( 6996 calls) cegterg:upda : 7.98s CPU 8.02s WALL ( 6996 calls) cegterg:last : 4.48s CPU 4.52s WALL ( 1143 calls) cdiaghg:chol : 4.89s CPU 5.13s WALL ( 7259 calls) cdiaghg:inve : 3.10s CPU 3.10s WALL ( 7259 calls) cdiaghg:para : 8.65s CPU 8.76s WALL ( 14518 calls) Called by h_psi: h_psi:vloc : 688.66s CPU 692.07s WALL ( 7711 calls) h_psi:vnl : 22.39s CPU 22.67s WALL ( 7711 calls) add_vuspsi : 11.34s CPU 11.64s WALL ( 7711 calls) General routines calbec : 11.00s CPU 11.00s WALL ( 7711 calls) fft : 0.04s CPU 0.04s WALL ( 19 calls) ffts : 0.00s CPU 0.01s WALL ( 4 calls) fftw : 654.74s CPU 658.28s WALL ( 808432 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.16s CPU 1.11s WALL ( 526 calls) Parallel routines fft_scatter : 248.33s CPU 248.82s WALL ( 808455 calls) PWSCF : 15m43.78s CPU 16m13.42s WALL This run was terminated on: 9:23:48 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=