Program PWSCF v.5.3.0 (svn rev. 11974) starts on 1Feb2017 at 2:12:35 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: ./SiI3.save/ file I.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 38 38 10 1209 1209 174 Max 39 39 11 1213 1213 178 Sum 2741 2741 751 87179 87179 12643 bravais-lattice index = 14 lattice parameter (alat) = 16.0164 a.u. unit-cell volume = 2208.2455 (a.u.)^3 number of atoms/cell = 8 number of atomic types = 2 number of electrons = 50.00 number of Kohn-Sham states= 60 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 176.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 16.016416 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.644801 celldm(5)= 0.644801 celldm(6)= 0.644801 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.644801 0.764350 0.000000 ) a(3) = ( 0.644801 0.299643 0.703168 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.843594 -0.557511 ) b(2) = ( 0.000000 1.308301 -0.557511 ) b(3) = ( 0.000000 0.000000 1.422136 ) PseudoPot. # 1 for I read from file: /users/gautes/Pseudo/I.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 7c65668ffc3f6431347fa26e98076fd5 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1247 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 Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 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 I 7.00 126.90450 I( 1.00) Si 4.00 28.08550 Si( 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= 194 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 2) = ( 0.0185185 -0.0156221 -0.0103243), wk = 0.0051546 k( 3) = ( 0.0370370 -0.0312442 -0.0206486), wk = 0.0051546 k( 4) = ( 0.0555556 -0.0468664 -0.0309728), wk = 0.0051546 k( 5) = ( 0.0740741 -0.0624885 -0.0412971), wk = 0.0051546 k( 6) = ( 0.0925926 -0.0781106 -0.0516214), wk = 0.0051546 k( 7) = ( 0.1111111 -0.0937327 -0.0619457), wk = 0.0051546 k( 8) = ( 0.1296296 -0.1093548 -0.0722700), wk = 0.0051546 k( 9) = ( 0.1481482 -0.1249769 -0.0825942), wk = 0.0051546 k( 10) = ( 0.1666667 -0.1405990 -0.0929185), wk = 0.0051546 k( 11) = ( 0.1851852 -0.1562212 -0.1032428), wk = 0.0051546 k( 12) = ( 0.2037037 -0.1718433 -0.1135671), wk = 0.0051546 k( 13) = ( 0.2222222 -0.1874654 -0.1238914), wk = 0.0051546 k( 14) = ( 0.2407407 -0.2030875 -0.1342156), wk = 0.0051546 k( 15) = ( 0.2592593 -0.2187096 -0.1445399), wk = 0.0051546 k( 16) = ( 0.2777778 -0.2343317 -0.1548642), wk = 0.0051546 k( 17) = ( 0.2962963 -0.2499539 -0.1651885), wk = 0.0051546 k( 18) = ( 0.3148148 -0.2655760 -0.1755128), wk = 0.0051546 k( 19) = ( 0.3333333 -0.2811981 -0.1858370), wk = 0.0051546 k( 20) = ( 0.3518519 -0.2968202 -0.1961613), wk = 0.0051546 k( 21) = ( 0.3703704 -0.3124423 -0.2064856), wk = 0.0051546 k( 22) = ( 0.3888889 -0.3280644 -0.2168099), wk = 0.0051546 k( 23) = ( 0.4074074 -0.3436866 -0.2271342), wk = 0.0051546 k( 24) = ( 0.4259259 -0.3593087 -0.2374585), wk = 0.0051546 k( 25) = ( 0.4444444 -0.3749308 -0.2477827), wk = 0.0051546 k( 26) = ( 0.4629630 -0.3905529 -0.2581070), wk = 0.0051546 k( 27) = ( 0.4814815 -0.4061750 -0.2684313), wk = 0.0051546 k( 28) = ( 0.5000000 -0.4217971 -0.2787556), wk = 0.0051546 k( 29) = ( 0.5000000 -0.4217971 -0.2787556), wk = 0.0051546 k( 30) = ( 0.5000000 -0.4075119 -0.3003712), wk = 0.0051546 k( 31) = ( 0.5000000 -0.3932267 -0.3219868), wk = 0.0051546 k( 32) = ( 0.5000000 -0.3789414 -0.3436024), wk = 0.0051546 k( 33) = ( 0.5000000 -0.3646562 -0.3652180), wk = 0.0051546 k( 34) = ( 0.5000000 -0.3503709 -0.3868336), wk = 0.0051546 k( 35) = ( 0.5000000 -0.3360857 -0.4084493), wk = 0.0051546 k( 36) = ( 0.5000000 -0.3218005 -0.4300649), wk = 0.0051546 k( 37) = ( 0.5000000 -0.3075152 -0.4516805), wk = 0.0051546 k( 38) = ( 0.5000000 -0.2932300 -0.4732961), wk = 0.0051546 k( 39) = ( 0.5000000 -0.2789448 -0.4949117), wk = 0.0051546 k( 40) = ( 0.5000000 -0.2646595 -0.5165273), wk = 0.0051546 k( 41) = ( 0.5000000 -0.2503743 -0.5381429), wk = 0.0051546 k( 42) = ( 0.5000000 -0.2360890 -0.5597586), wk = 0.0051546 k( 43) = ( 0.5000000 -0.2218038 -0.5813742), wk = 0.0051546 k( 44) = ( 0.5000000 -0.2075186 -0.6029898), wk = 0.0051546 k( 45) = ( 0.5000000 -0.1932333 -0.6246054), wk = 0.0051546 k( 46) = ( 0.5000000 -0.1789481 -0.6462210), wk = 0.0051546 k( 47) = ( 0.5000000 -0.1646628 -0.6678366), wk = 0.0051546 k( 48) = ( 0.5000000 -0.1503776 -0.6894522), wk = 0.0051546 k( 49) = ( 0.5000000 -0.1360924 -0.7110679), wk = 0.0051546 k( 50) = ( 0.7816215 -0.0052210 -0.4039544), wk = 0.0051546 k( 51) = ( 0.7703566 0.0042820 -0.3816540), wk = 0.0051546 k( 52) = ( 0.7590918 0.0137850 -0.3593535), wk = 0.0051546 k( 53) = ( 0.7478269 0.0232879 -0.3370531), wk = 0.0051546 k( 54) = ( 0.7365621 0.0327909 -0.3147526), wk = 0.0051546 k( 55) = ( 0.7252972 0.0422939 -0.2924522), wk = 0.0051546 k( 56) = ( 0.7140323 0.0517969 -0.2701518), wk = 0.0051546 k( 57) = ( 0.7027675 0.0612998 -0.2478513), wk = 0.0051546 k( 58) = ( 0.6915026 0.0708028 -0.2255509), wk = 0.0051546 k( 59) = ( 0.6802378 0.0803058 -0.2032504), wk = 0.0051546 k( 60) = ( 0.6689729 0.0898087 -0.1809500), wk = 0.0051546 k( 61) = ( 0.6577080 0.0993117 -0.1586495), wk = 0.0051546 k( 62) = ( 0.6464432 0.1088147 -0.1363491), wk = 0.0051546 k( 63) = ( 0.6351783 0.1183177 -0.1140486), wk = 0.0051546 k( 64) = ( 0.6239135 0.1278206 -0.0917482), wk = 0.0051546 k( 65) = ( 0.6126486 0.1373236 -0.0694478), wk = 0.0051546 k( 66) = ( 0.6013837 0.1468266 -0.0471473), wk = 0.0051546 k( 67) = ( 0.5901189 0.1563296 -0.0248468), wk = 0.0051546 k( 68) = ( 0.5788540 0.1658325 -0.0025464), wk = 0.0051546 k( 69) = ( 0.5675892 0.1753355 0.0197540), wk = 0.0051546 k( 70) = ( 0.5563243 0.1848385 0.0420545), wk = 0.0051546 k( 71) = ( 0.5450594 0.1943414 0.0643549), wk = 0.0051546 k( 72) = ( 0.5337946 0.2038444 0.0866554), wk = 0.0051546 k( 73) = ( 0.5225297 0.2133474 0.1089558), wk = 0.0051546 k( 74) = ( 0.5112649 0.2228504 0.1312563), wk = 0.0051546 k( 75) = ( 0.5000000 0.2323533 0.1535567), wk = 0.0051546 k( 76) = ( 0.5000000 0.2323533 0.1535567), wk = 0.0051546 k( 77) = ( 0.4772727 0.2217918 0.1465769), wk = 0.0051546 k( 78) = ( 0.4545455 0.2112303 0.1395970), wk = 0.0051546 k( 79) = ( 0.4318182 0.2006688 0.1326172), wk = 0.0051546 k( 80) = ( 0.4090909 0.1901073 0.1256373), wk = 0.0051546 k( 81) = ( 0.3863636 0.1795458 0.1186575), wk = 0.0051546 k( 82) = ( 0.3636364 0.1689842 0.1116776), wk = 0.0051546 k( 83) = ( 0.3409091 0.1584227 0.1046978), wk = 0.0051546 k( 84) = ( 0.3181818 0.1478612 0.0977179), wk = 0.0051546 k( 85) = ( 0.2954545 0.1372997 0.0907381), wk = 0.0051546 k( 86) = ( 0.2727273 0.1267382 0.0837582), wk = 0.0051546 k( 87) = ( 0.2500000 0.1161767 0.0767784), wk = 0.0051546 k( 88) = ( 0.2272727 0.1056151 0.0697985), wk = 0.0051546 k( 89) = ( 0.2045454 0.0950536 0.0628187), wk = 0.0051546 k( 90) = ( 0.1818182 0.0844921 0.0558388), wk = 0.0051546 k( 91) = ( 0.1590909 0.0739306 0.0488590), wk = 0.0051546 k( 92) = ( 0.1363636 0.0633691 0.0418791), wk = 0.0051546 k( 93) = ( 0.1136364 0.0528076 0.0348993), wk = 0.0051546 k( 94) = ( 0.0909091 0.0422461 0.0279194), wk = 0.0051546 k( 95) = ( 0.0681818 0.0316845 0.0209396), wk = 0.0051546 k( 96) = ( 0.0454546 0.0211230 0.0139597), wk = 0.0051546 k( 97) = ( 0.0227273 0.0105615 0.0069798), wk = 0.0051546 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 100) = ( 0.0112247 -0.0094691 -0.0222209), wk = 0.0051546 k( 101) = ( 0.0224493 -0.0189381 -0.0444417), wk = 0.0051546 k( 102) = ( 0.0336740 -0.0284072 -0.0666626), wk = 0.0051546 k( 103) = ( 0.0448987 -0.0378763 -0.0888835), wk = 0.0051546 k( 104) = ( 0.0561233 -0.0473453 -0.1111044), wk = 0.0051546 k( 105) = ( 0.0673480 -0.0568144 -0.1333252), wk = 0.0051546 k( 106) = ( 0.0785726 -0.0662834 -0.1555461), wk = 0.0051546 k( 107) = ( 0.0897973 -0.0757525 -0.1777670), wk = 0.0051546 k( 108) = ( 0.1010220 -0.0852216 -0.1999878), wk = 0.0051546 k( 109) = ( 0.1122466 -0.0946906 -0.2222087), wk = 0.0051546 k( 110) = ( 0.1234713 -0.1041597 -0.2444296), wk = 0.0051546 k( 111) = ( 0.1346960 -0.1136287 -0.2666505), wk = 0.0051546 k( 112) = ( 0.1459206 -0.1230978 -0.2888713), wk = 0.0051546 k( 113) = ( 0.1571453 -0.1325669 -0.3110922), wk = 0.0051546 k( 114) = ( 0.1683700 -0.1420359 -0.3333131), wk = 0.0051546 k( 115) = ( 0.1795946 -0.1515050 -0.3555339), wk = 0.0051546 k( 116) = ( 0.1908193 -0.1609741 -0.3777548), wk = 0.0051546 k( 117) = ( 0.2020439 -0.1704431 -0.3999757), wk = 0.0051546 k( 118) = ( 0.2132686 -0.1799122 -0.4221965), wk = 0.0051546 k( 119) = ( 0.2244933 -0.1893812 -0.4444174), wk = 0.0051546 k( 120) = ( 0.2357179 -0.1988503 -0.4666383), wk = 0.0051546 k( 121) = ( 0.2469426 -0.2083194 -0.4888592), wk = 0.0051546 k( 122) = ( 0.2581673 -0.2177884 -0.5110800), wk = 0.0051546 k( 123) = ( 0.2693919 -0.2272575 -0.5333009), wk = 0.0051546 k( 124) = ( 0.2806166 -0.2367266 -0.5555218), wk = 0.0051546 k( 125) = ( 0.2918413 -0.2461956 -0.5777426), wk = 0.0051546 k( 126) = ( 0.3030659 -0.2556647 -0.5999635), wk = 0.0051546 k( 127) = ( 0.3142906 -0.2651337 -0.6221844), wk = 0.0051546 k( 128) = ( 0.3255152 -0.2746028 -0.6444052), wk = 0.0051546 k( 129) = ( 0.3367399 -0.2840719 -0.6666261), wk = 0.0051546 k( 130) = ( 0.3479646 -0.2935409 -0.6888470), wk = 0.0051546 k( 131) = ( 0.3591892 -0.3030100 -0.7110678), wk = 0.0051546 k( 132) = ( 0.6408108 -0.0706567 -0.5575111), wk = 0.0051546 k( 133) = ( 0.6299792 -0.0473482 -0.5575111), wk = 0.0051546 k( 134) = ( 0.6191476 -0.0240397 -0.5575111), wk = 0.0051546 k( 135) = ( 0.6083160 -0.0007313 -0.5575111), wk = 0.0051546 k( 136) = ( 0.5974844 0.0225772 -0.5575111), wk = 0.0051546 k( 137) = ( 0.5866528 0.0458856 -0.5575111), wk = 0.0051546 k( 138) = ( 0.5758212 0.0691941 -0.5575111), wk = 0.0051546 k( 139) = ( 0.5649896 0.0925026 -0.5575111), wk = 0.0051546 k( 140) = ( 0.5541580 0.1158110 -0.5575111), wk = 0.0051546 k( 141) = ( 0.5433264 0.1391195 -0.5575111), wk = 0.0051546 k( 142) = ( 0.5324948 0.1624279 -0.5575111), wk = 0.0051546 k( 143) = ( 0.5216632 0.1857364 -0.5575111), wk = 0.0051546 k( 144) = ( 0.5108316 0.2090449 -0.5575111), wk = 0.0051546 k( 145) = ( 0.5000000 0.2323533 -0.5575111), wk = 0.0051546 k( 146) = ( 0.5000000 0.2323533 -0.5575111), wk = 0.0051546 k( 147) = ( 0.5156456 0.2396240 -0.5404493), wk = 0.0051546 k( 148) = ( 0.5312913 0.2468946 -0.5233874), wk = 0.0051546 k( 149) = ( 0.5469369 0.2541652 -0.5063256), wk = 0.0051546 k( 150) = ( 0.5625826 0.2614359 -0.4892637), wk = 0.0051546 k( 151) = ( 0.5782282 0.2687065 -0.4722019), wk = 0.0051546 k( 152) = ( 0.5938738 0.2759771 -0.4551400), wk = 0.0051546 k( 153) = ( 0.6095195 0.2832478 -0.4380782), wk = 0.0051546 k( 154) = ( 0.6251651 0.2905184 -0.4210163), wk = 0.0051546 k( 155) = ( 0.6408108 0.2977890 -0.4039544), wk = 0.0051546 k( 156) = ( 0.6408108 0.2977890 -0.4039544), wk = 0.0051546 k( 157) = ( 0.6344103 0.2948147 -0.3786130), wk = 0.0051546 k( 158) = ( 0.6280098 0.2918403 -0.3532716), wk = 0.0051546 k( 159) = ( 0.6216093 0.2888660 -0.3279302), wk = 0.0051546 k( 160) = ( 0.6152088 0.2858916 -0.3025888), wk = 0.0051546 k( 161) = ( 0.6088083 0.2829173 -0.2772473), wk = 0.0051546 k( 162) = ( 0.6024078 0.2799429 -0.2519059), wk = 0.0051546 k( 163) = ( 0.5960073 0.2769686 -0.2265645), wk = 0.0051546 k( 164) = ( 0.5896068 0.2739942 -0.2012231), wk = 0.0051546 k( 165) = ( 0.5832064 0.2710199 -0.1758817), wk = 0.0051546 k( 166) = ( 0.5768059 0.2680455 -0.1505403), wk = 0.0051546 k( 167) = ( 0.5704054 0.2650712 -0.1251989), wk = 0.0051546 k( 168) = ( 0.5640049 0.2620968 -0.0998574), wk = 0.0051546 k( 169) = ( 0.5576044 0.2591225 -0.0745160), wk = 0.0051546 k( 170) = ( 0.5512039 0.2561481 -0.0491746), wk = 0.0051546 k( 171) = ( 0.5448034 0.2531738 -0.0238332), wk = 0.0051546 k( 172) = ( 0.5384029 0.2501994 0.0015082), wk = 0.0051546 k( 173) = ( 0.5320024 0.2472251 0.0268496), wk = 0.0051546 k( 174) = ( 0.5256020 0.2442507 0.0521910), wk = 0.0051546 k( 175) = ( 0.5192015 0.2412764 0.0775325), wk = 0.0051546 k( 176) = ( 0.5128010 0.2383020 0.1028739), wk = 0.0051546 k( 177) = ( 0.5064005 0.2353277 0.1282153), wk = 0.0051546 k( 178) = ( 0.5000000 0.2323533 0.1535567), wk = 0.0051546 k( 179) = ( 0.5000000 -0.4217971 -0.2787556), wk = 0.0051546 k( 180) = ( 0.5187748 -0.4063069 -0.2685185), wk = 0.0051546 k( 181) = ( 0.5375495 -0.3908167 -0.2582813), wk = 0.0051546 k( 182) = ( 0.5563243 -0.3753265 -0.2480442), wk = 0.0051546 k( 183) = ( 0.5750991 -0.3598363 -0.2378071), wk = 0.0051546 k( 184) = ( 0.5938738 -0.3443460 -0.2275700), wk = 0.0051546 k( 185) = ( 0.6126486 -0.3288558 -0.2173329), wk = 0.0051546 k( 186) = ( 0.6314234 -0.3133656 -0.2070958), wk = 0.0051546 k( 187) = ( 0.6501981 -0.2978754 -0.1968587), wk = 0.0051546 k( 188) = ( 0.6689729 -0.2823851 -0.1866215), wk = 0.0051546 k( 189) = ( 0.6877477 -0.2668949 -0.1763844), wk = 0.0051546 k( 190) = ( 0.7065224 -0.2514047 -0.1661473), wk = 0.0051546 k( 191) = ( 0.7252972 -0.2359145 -0.1559102), wk = 0.0051546 k( 192) = ( 0.7440720 -0.2204243 -0.1456731), wk = 0.0051546 k( 193) = ( 0.7628468 -0.2049340 -0.1354360), wk = 0.0051546 k( 194) = ( 0.7816215 -0.1894438 -0.1251989), wk = 0.0051546 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 2) = ( 0.0185185 0.0000000 -0.0000000), wk = 0.0051546 k( 3) = ( 0.0370370 0.0000000 -0.0000000), wk = 0.0051546 k( 4) = ( 0.0555556 0.0000000 0.0000000), wk = 0.0051546 k( 5) = ( 0.0740741 0.0000000 -0.0000000), wk = 0.0051546 k( 6) = ( 0.0925926 -0.0000000 -0.0000000), wk = 0.0051546 k( 7) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0051546 k( 8) = ( 0.1296296 0.0000000 0.0000000), wk = 0.0051546 k( 9) = ( 0.1481482 -0.0000000 -0.0000000), wk = 0.0051546 k( 10) = ( 0.1666667 -0.0000000 -0.0000000), wk = 0.0051546 k( 11) = ( 0.1851852 0.0000000 -0.0000000), wk = 0.0051546 k( 12) = ( 0.2037037 -0.0000000 -0.0000000), wk = 0.0051546 k( 13) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0051546 k( 14) = ( 0.2407407 -0.0000000 -0.0000000), wk = 0.0051546 k( 15) = ( 0.2592593 0.0000000 0.0000000), wk = 0.0051546 k( 16) = ( 0.2777778 -0.0000000 0.0000000), wk = 0.0051546 k( 17) = ( 0.2962963 -0.0000000 -0.0000000), wk = 0.0051546 k( 18) = ( 0.3148148 -0.0000000 -0.0000000), wk = 0.0051546 k( 19) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0051546 k( 20) = ( 0.3518519 -0.0000000 -0.0000000), wk = 0.0051546 k( 21) = ( 0.3703704 0.0000000 -0.0000000), wk = 0.0051546 k( 22) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0051546 k( 23) = ( 0.4074074 -0.0000000 -0.0000000), wk = 0.0051546 k( 24) = ( 0.4259259 0.0000000 0.0000000), wk = 0.0051546 k( 25) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0051546 k( 26) = ( 0.4629630 -0.0000000 -0.0000000), wk = 0.0051546 k( 27) = ( 0.4814815 -0.0000000 -0.0000000), wk = 0.0051546 k( 28) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0051546 k( 29) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0051546 k( 30) = ( 0.5000000 0.0109189 -0.0109189), wk = 0.0051546 k( 31) = ( 0.5000000 0.0218378 -0.0218379), wk = 0.0051546 k( 32) = ( 0.5000000 0.0327568 -0.0327568), wk = 0.0051546 k( 33) = ( 0.5000000 0.0436757 -0.0436757), wk = 0.0051546 k( 34) = ( 0.5000000 0.0545946 -0.0545946), wk = 0.0051546 k( 35) = ( 0.5000000 0.0655135 -0.0655136), wk = 0.0051546 k( 36) = ( 0.5000000 0.0764325 -0.0764325), wk = 0.0051546 k( 37) = ( 0.5000000 0.0873514 -0.0873514), wk = 0.0051546 k( 38) = ( 0.5000000 0.0982703 -0.0982703), wk = 0.0051546 k( 39) = ( 0.5000000 0.1091892 -0.1091892), wk = 0.0051546 k( 40) = ( 0.5000000 0.1201082 -0.1201082), wk = 0.0051546 k( 41) = ( 0.5000000 0.1310271 -0.1310271), wk = 0.0051546 k( 42) = ( 0.5000000 0.1419460 -0.1419460), wk = 0.0051546 k( 43) = ( 0.5000000 0.1528649 -0.1528649), wk = 0.0051546 k( 44) = ( 0.5000000 0.1637839 -0.1637839), wk = 0.0051546 k( 45) = ( 0.5000000 0.1747028 -0.1747028), wk = 0.0051546 k( 46) = ( 0.5000000 0.1856217 -0.1856217), wk = 0.0051546 k( 47) = ( 0.5000000 0.1965406 -0.1965406), wk = 0.0051546 k( 48) = ( 0.5000000 0.2074596 -0.2074596), wk = 0.0051546 k( 49) = ( 0.5000000 0.2183785 -0.2183785), wk = 0.0051546 k( 50) = ( 0.7816215 0.5000000 0.2183785), wk = 0.0051546 k( 51) = ( 0.7703566 0.5000000 0.2296433), wk = 0.0051546 k( 52) = ( 0.7590918 0.5000000 0.2409082), wk = 0.0051546 k( 53) = ( 0.7478269 0.5000000 0.2521731), wk = 0.0051546 k( 54) = ( 0.7365621 0.5000000 0.2634379), wk = 0.0051546 k( 55) = ( 0.7252972 0.5000000 0.2747028), wk = 0.0051546 k( 56) = ( 0.7140323 0.5000000 0.2859677), wk = 0.0051546 k( 57) = ( 0.7027675 0.5000000 0.2972325), wk = 0.0051546 k( 58) = ( 0.6915026 0.5000000 0.3084974), wk = 0.0051546 k( 59) = ( 0.6802378 0.5000000 0.3197622), wk = 0.0051546 k( 60) = ( 0.6689729 0.5000000 0.3310271), wk = 0.0051546 k( 61) = ( 0.6577080 0.5000000 0.3422919), wk = 0.0051546 k( 62) = ( 0.6464432 0.5000000 0.3535568), wk = 0.0051546 k( 63) = ( 0.6351783 0.5000000 0.3648217), wk = 0.0051546 k( 64) = ( 0.6239135 0.5000000 0.3760865), wk = 0.0051546 k( 65) = ( 0.6126486 0.5000000 0.3873514), wk = 0.0051546 k( 66) = ( 0.6013837 0.5000000 0.3986163), wk = 0.0051546 k( 67) = ( 0.5901189 0.5000000 0.4098811), wk = 0.0051546 k( 68) = ( 0.5788540 0.5000000 0.4211460), wk = 0.0051546 k( 69) = ( 0.5675892 0.5000000 0.4324108), wk = 0.0051546 k( 70) = ( 0.5563243 0.5000000 0.4436757), wk = 0.0051546 k( 71) = ( 0.5450594 0.5000000 0.4549406), wk = 0.0051546 k( 72) = ( 0.5337946 0.5000000 0.4662054), wk = 0.0051546 k( 73) = ( 0.5225297 0.5000000 0.4774703), wk = 0.0051546 k( 74) = ( 0.5112649 0.5000000 0.4887351), wk = 0.0051546 k( 75) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051546 k( 76) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051546 k( 77) = ( 0.4772727 0.4772727 0.4772727), wk = 0.0051546 k( 78) = ( 0.4545455 0.4545455 0.4545455), wk = 0.0051546 k( 79) = ( 0.4318182 0.4318182 0.4318182), wk = 0.0051546 k( 80) = ( 0.4090909 0.4090909 0.4090909), wk = 0.0051546 k( 81) = ( 0.3863636 0.3863636 0.3863636), wk = 0.0051546 k( 82) = ( 0.3636364 0.3636364 0.3636364), wk = 0.0051546 k( 83) = ( 0.3409091 0.3409091 0.3409091), wk = 0.0051546 k( 84) = ( 0.3181818 0.3181818 0.3181818), wk = 0.0051546 k( 85) = ( 0.2954545 0.2954545 0.2954545), wk = 0.0051546 k( 86) = ( 0.2727273 0.2727273 0.2727273), wk = 0.0051546 k( 87) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0051546 k( 88) = ( 0.2272727 0.2272727 0.2272727), wk = 0.0051546 k( 89) = ( 0.2045454 0.2045454 0.2045454), wk = 0.0051546 k( 90) = ( 0.1818182 0.1818182 0.1818182), wk = 0.0051546 k( 91) = ( 0.1590909 0.1590909 0.1590909), wk = 0.0051546 k( 92) = ( 0.1363636 0.1363636 0.1363636), wk = 0.0051546 k( 93) = ( 0.1136364 0.1136364 0.1136364), wk = 0.0051546 k( 94) = ( 0.0909091 0.0909091 0.0909091), wk = 0.0051546 k( 95) = ( 0.0681818 0.0681818 0.0681818), wk = 0.0051546 k( 96) = ( 0.0454546 0.0454546 0.0454546), wk = 0.0051546 k( 97) = ( 0.0227273 0.0227273 0.0227273), wk = 0.0051546 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0051546 k( 100) = ( 0.0112247 0.0000000 -0.0112247), wk = 0.0051546 k( 101) = ( 0.0224493 0.0000000 -0.0224493), wk = 0.0051546 k( 102) = ( 0.0336740 -0.0000000 -0.0336740), wk = 0.0051546 k( 103) = ( 0.0448987 0.0000000 -0.0448987), wk = 0.0051546 k( 104) = ( 0.0561233 -0.0000000 -0.0561233), wk = 0.0051546 k( 105) = ( 0.0673480 -0.0000000 -0.0673480), wk = 0.0051546 k( 106) = ( 0.0785726 -0.0000000 -0.0785726), wk = 0.0051546 k( 107) = ( 0.0897973 0.0000000 -0.0897973), wk = 0.0051546 k( 108) = ( 0.1010220 -0.0000000 -0.1010220), wk = 0.0051546 k( 109) = ( 0.1122466 -0.0000000 -0.1122466), wk = 0.0051546 k( 110) = ( 0.1234713 -0.0000000 -0.1234713), wk = 0.0051546 k( 111) = ( 0.1346960 -0.0000000 -0.1346960), wk = 0.0051546 k( 112) = ( 0.1459206 -0.0000000 -0.1459206), wk = 0.0051546 k( 113) = ( 0.1571453 -0.0000000 -0.1571453), wk = 0.0051546 k( 114) = ( 0.1683700 0.0000000 -0.1683700), wk = 0.0051546 k( 115) = ( 0.1795946 0.0000000 -0.1795946), wk = 0.0051546 k( 116) = ( 0.1908193 -0.0000000 -0.1908193), wk = 0.0051546 k( 117) = ( 0.2020439 -0.0000000 -0.2020439), wk = 0.0051546 k( 118) = ( 0.2132686 0.0000000 -0.2132686), wk = 0.0051546 k( 119) = ( 0.2244933 -0.0000000 -0.2244933), wk = 0.0051546 k( 120) = ( 0.2357179 0.0000000 -0.2357179), wk = 0.0051546 k( 121) = ( 0.2469426 0.0000000 -0.2469426), wk = 0.0051546 k( 122) = ( 0.2581673 0.0000000 -0.2581673), wk = 0.0051546 k( 123) = ( 0.2693919 -0.0000000 -0.2693919), wk = 0.0051546 k( 124) = ( 0.2806166 0.0000000 -0.2806166), wk = 0.0051546 k( 125) = ( 0.2918413 -0.0000000 -0.2918413), wk = 0.0051546 k( 126) = ( 0.3030659 -0.0000000 -0.3030659), wk = 0.0051546 k( 127) = ( 0.3142906 -0.0000000 -0.3142906), wk = 0.0051546 k( 128) = ( 0.3255152 -0.0000000 -0.3255152), wk = 0.0051546 k( 129) = ( 0.3367399 0.0000000 -0.3367399), wk = 0.0051546 k( 130) = ( 0.3479646 -0.0000000 -0.3479646), wk = 0.0051546 k( 131) = ( 0.3591892 0.0000000 -0.3591892), wk = 0.0051546 k( 132) = ( 0.6408108 0.3591892 0.0000000), wk = 0.0051546 k( 133) = ( 0.6299792 0.3700208 0.0000000), wk = 0.0051546 k( 134) = ( 0.6191476 0.3808524 -0.0000000), wk = 0.0051546 k( 135) = ( 0.6083160 0.3916840 -0.0000000), wk = 0.0051546 k( 136) = ( 0.5974844 0.4025156 0.0000000), wk = 0.0051546 k( 137) = ( 0.5866528 0.4133472 -0.0000000), wk = 0.0051546 k( 138) = ( 0.5758212 0.4241788 -0.0000000), wk = 0.0051546 k( 139) = ( 0.5649896 0.4350104 -0.0000000), wk = 0.0051546 k( 140) = ( 0.5541580 0.4458420 -0.0000000), wk = 0.0051546 k( 141) = ( 0.5433264 0.4566736 0.0000000), wk = 0.0051546 k( 142) = ( 0.5324948 0.4675052 0.0000000), wk = 0.0051546 k( 143) = ( 0.5216632 0.4783368 0.0000000), wk = 0.0051546 k( 144) = ( 0.5108316 0.4891684 0.0000000), wk = 0.0051546 k( 145) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0051546 k( 146) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0051546 k( 147) = ( 0.5156456 0.5156456 0.0242643), wk = 0.0051546 k( 148) = ( 0.5312913 0.5312913 0.0485286), wk = 0.0051546 k( 149) = ( 0.5469369 0.5469369 0.0727928), wk = 0.0051546 k( 150) = ( 0.5625826 0.5625826 0.0970571), wk = 0.0051546 k( 151) = ( 0.5782282 0.5782282 0.1213214), wk = 0.0051546 k( 152) = ( 0.5938738 0.5938738 0.1455857), wk = 0.0051546 k( 153) = ( 0.6095195 0.6095195 0.1698499), wk = 0.0051546 k( 154) = ( 0.6251651 0.6251651 0.1941142), wk = 0.0051546 k( 155) = ( 0.6408108 0.6408108 0.2183785), wk = 0.0051546 k( 156) = ( 0.6408108 0.6408108 0.2183785), wk = 0.0051546 k( 157) = ( 0.6344103 0.6344103 0.2311795), wk = 0.0051546 k( 158) = ( 0.6280098 0.6280098 0.2439804), wk = 0.0051546 k( 159) = ( 0.6216093 0.6216093 0.2567814), wk = 0.0051546 k( 160) = ( 0.6152088 0.6152088 0.2695824), wk = 0.0051546 k( 161) = ( 0.6088083 0.6088083 0.2823834), wk = 0.0051546 k( 162) = ( 0.6024078 0.6024078 0.2951843), wk = 0.0051546 k( 163) = ( 0.5960073 0.5960073 0.3079853), wk = 0.0051546 k( 164) = ( 0.5896068 0.5896068 0.3207863), wk = 0.0051546 k( 165) = ( 0.5832064 0.5832064 0.3335873), wk = 0.0051546 k( 166) = ( 0.5768059 0.5768059 0.3463883), wk = 0.0051546 k( 167) = ( 0.5704054 0.5704054 0.3591892), wk = 0.0051546 k( 168) = ( 0.5640049 0.5640049 0.3719902), wk = 0.0051546 k( 169) = ( 0.5576044 0.5576044 0.3847912), wk = 0.0051546 k( 170) = ( 0.5512039 0.5512039 0.3975922), wk = 0.0051546 k( 171) = ( 0.5448034 0.5448034 0.4103932), wk = 0.0051546 k( 172) = ( 0.5384029 0.5384029 0.4231941), wk = 0.0051546 k( 173) = ( 0.5320024 0.5320024 0.4359951), wk = 0.0051546 k( 174) = ( 0.5256020 0.5256020 0.4487961), wk = 0.0051546 k( 175) = ( 0.5192015 0.5192015 0.4615971), wk = 0.0051546 k( 176) = ( 0.5128010 0.5128010 0.4743980), wk = 0.0051546 k( 177) = ( 0.5064005 0.5064005 0.4871990), wk = 0.0051546 k( 178) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0051546 k( 179) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0051546 k( 180) = ( 0.5187748 0.0239460 0.0239460), wk = 0.0051546 k( 181) = ( 0.5375495 0.0478919 0.0478919), wk = 0.0051546 k( 182) = ( 0.5563243 0.0718378 0.0718378), wk = 0.0051546 k( 183) = ( 0.5750991 0.0957838 0.0957838), wk = 0.0051546 k( 184) = ( 0.5938738 0.1197297 0.1197298), wk = 0.0051546 k( 185) = ( 0.6126486 0.1436757 0.1436757), wk = 0.0051546 k( 186) = ( 0.6314234 0.1676216 0.1676217), wk = 0.0051546 k( 187) = ( 0.6501981 0.1915676 0.1915676), wk = 0.0051546 k( 188) = ( 0.6689729 0.2155136 0.2155135), wk = 0.0051546 k( 189) = ( 0.6877477 0.2394595 0.2394595), wk = 0.0051546 k( 190) = ( 0.7065224 0.2634054 0.2634054), wk = 0.0051546 k( 191) = ( 0.7252972 0.2873514 0.2873514), wk = 0.0051546 k( 192) = ( 0.7440720 0.3112973 0.3112973), wk = 0.0051546 k( 193) = ( 0.7628468 0.3352433 0.3352433), wk = 0.0051546 k( 194) = ( 0.7816215 0.3591892 0.3591892), wk = 0.0051546 Dense grid: 87179 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.29 Mb ( 314, 60) NL pseudopotentials 0.65 Mb ( 157, 272) Each V/rho on FFT grid 0.08 Mb ( 5184) Each G-vector array 0.01 Mb ( 1210) G-vector shells 0.01 Mb ( 1098) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.15 Mb ( 314, 240) Each subspace H/S matrix 0.02 Mb ( 40, 40) Each matrix 0.50 Mb ( 272, 2, 60) The potential is recalculated from file : ./SiI3.save/charge-density.dat Starting wfc are 64 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.4 secs Computing kpt #: 2 total cpu time spent up to now is 4.6 secs Computing kpt #: 3 total cpu time spent up to now is 5.8 secs Computing kpt #: 4 total cpu time spent up to now is 7.0 secs Computing kpt #: 5 total cpu time spent up to now is 9.2 secs Computing kpt #: 6 total cpu time spent up to now is 10.4 secs Computing kpt #: 7 total cpu time spent up to now is 11.5 secs Computing kpt #: 8 total cpu time spent up to now is 12.7 secs Computing kpt #: 9 total cpu time spent up to now is 13.8 secs Computing kpt #: 10 total cpu time spent up to now is 14.9 secs Computing kpt #: 11 total cpu time spent up to now is 16.0 secs Computing kpt #: 12 total cpu time spent up to now is 17.0 secs Computing kpt #: 13 total cpu time spent up to now is 18.3 secs Computing kpt #: 14 total cpu time spent up to now is 19.4 secs Computing kpt #: 15 total cpu time spent up to now is 20.4 secs Computing kpt #: 16 total cpu time spent up to now is 21.5 secs Computing kpt #: 17 total cpu time spent up to now is 22.6 secs Computing kpt #: 18 total cpu time spent up to now is 23.7 secs Computing kpt #: 19 total cpu time spent up to now is 24.7 secs Computing kpt #: 20 total cpu time spent up to now is 25.8 secs Computing kpt #: 21 total cpu time spent up to now is 26.9 secs Computing kpt #: 22 total cpu time spent up to now is 28.0 secs Computing kpt #: 23 total cpu time spent up to now is 29.0 secs Computing kpt #: 24 total cpu time spent up to now is 30.1 secs Computing kpt #: 25 total cpu time spent up to now is 31.2 secs Computing kpt #: 26 total cpu time spent up to now is 32.3 secs Computing kpt #: 27 total cpu time spent up to now is 33.3 secs Computing kpt #: 28 total cpu time spent up to now is 34.4 secs Computing kpt #: 29 total cpu time spent up to now is 35.4 secs Computing kpt #: 30 total cpu time spent up to now is 36.5 secs Computing kpt #: 31 total cpu time spent up to now is 37.6 secs Computing kpt #: 32 total cpu time spent up to now is 38.6 secs Computing kpt #: 33 total cpu time spent up to now is 39.7 secs Computing kpt #: 34 total cpu time spent up to now is 40.8 secs Computing kpt #: 35 total cpu time spent up to now is 41.9 secs Computing kpt #: 36 total cpu time spent up to now is 42.9 secs Computing kpt #: 37 total cpu time spent up to now is 44.0 secs Computing kpt #: 38 total cpu time spent up to now is 45.1 secs Computing kpt #: 39 total cpu time spent up to now is 46.2 secs Computing kpt #: 40 total cpu time spent up to now is 47.3 secs Computing kpt #: 41 total cpu time spent up to now is 48.4 secs Computing kpt #: 42 total cpu time spent up to now is 49.5 secs Computing kpt #: 43 total cpu time spent up to now is 50.6 secs Computing kpt #: 44 total cpu time spent up to now is 51.7 secs Computing kpt #: 45 total cpu time spent up to now is 52.8 secs Computing kpt #: 46 total cpu time spent up to now is 53.8 secs Computing kpt #: 47 total cpu time spent up to now is 54.9 secs Computing kpt #: 48 total cpu time spent up to now is 55.9 secs Computing kpt #: 49 total cpu time spent up to now is 57.0 secs Computing kpt #: 50 total cpu time spent up to now is 58.0 secs Computing kpt #: 51 total cpu time spent up to now is 59.1 secs Computing kpt #: 52 total cpu time spent up to now is 60.2 secs Computing kpt #: 53 total cpu time spent up to now is 61.2 secs Computing kpt #: 54 total cpu time spent up to now is 62.3 secs Computing kpt #: 55 total cpu time spent up to now is 63.3 secs Computing kpt #: 56 total cpu time spent up to now is 64.4 secs Computing kpt #: 57 total cpu time spent up to now is 65.5 secs Computing kpt #: 58 total cpu time spent up to now is 66.6 secs Computing kpt #: 59 total cpu time spent up to now is 67.7 secs Computing kpt #: 60 total cpu time spent up to now is 68.8 secs Computing kpt #: 61 total cpu time spent up to now is 70.0 secs Computing kpt #: 62 total cpu time spent up to now is 71.2 secs Computing kpt #: 63 total cpu time spent up to now is 72.3 secs Computing kpt #: 64 total cpu time spent up to now is 73.4 secs Computing kpt #: 65 total cpu time spent up to now is 74.4 secs Computing kpt #: 66 total cpu time spent up to now is 75.7 secs Computing kpt #: 67 total cpu time spent up to now is 76.9 secs Computing kpt #: 68 total cpu time spent up to now is 78.1 secs Computing kpt #: 69 total cpu time spent up to now is 79.3 secs Computing kpt #: 70 total cpu time spent up to now is 80.5 secs Computing kpt #: 71 total cpu time spent up to now is 81.7 secs Computing kpt #: 72 total cpu time spent up to now is 82.9 secs Computing kpt #: 73 total cpu time spent up to now is 84.1 secs Computing kpt #: 74 total cpu time spent up to now is 85.2 secs Computing kpt #: 75 total cpu time spent up to now is 86.2 secs Computing kpt #: 76 total cpu time spent up to now is 87.3 secs Computing kpt #: 77 total cpu time spent up to now is 88.3 secs Computing kpt #: 78 total cpu time spent up to now is 89.4 secs Computing kpt #: 79 total cpu time spent up to now is 90.4 secs Computing kpt #: 80 total cpu time spent up to now is 91.5 secs Computing kpt #: 81 total cpu time spent up to now is 92.7 secs Computing kpt #: 82 total cpu time spent up to now is 93.9 secs Computing kpt #: 83 total cpu time spent up to now is 94.9 secs Computing kpt #: 84 total cpu time spent up to now is 96.0 secs Computing kpt #: 85 total cpu time spent up to now is 97.0 secs Computing kpt #: 86 total cpu time spent up to now is 98.1 secs Computing kpt #: 87 total cpu time spent up to now is 99.2 secs Computing kpt #: 88 total cpu time spent up to now is 100.4 secs Computing kpt #: 89 total cpu time spent up to now is 101.6 secs Computing kpt #: 90 total cpu time spent up to now is 102.9 secs Computing kpt #: 91 total cpu time spent up to now is 104.2 secs Computing kpt #: 92 total cpu time spent up to now is 105.4 secs Computing kpt #: 93 total cpu time spent up to now is 106.6 secs Computing kpt #: 94 total cpu time spent up to now is 107.9 secs Computing kpt #: 95 total cpu time spent up to now is 109.1 secs Computing kpt #: 96 total cpu time spent up to now is 110.3 secs Computing kpt #: 97 total cpu time spent up to now is 111.5 secs Computing kpt #: 98 total cpu time spent up to now is 112.8 secs Computing kpt #: 99 total cpu time spent up to now is 114.0 secs Computing kpt #: 100 total cpu time spent up to now is 115.2 secs Computing kpt #: 101 total cpu time spent up to now is 116.4 secs Computing kpt #: 102 total cpu time spent up to now is 117.7 secs Computing kpt #: 103 total cpu time spent up to now is 118.9 secs Computing kpt #: 104 total cpu time spent up to now is 120.2 secs Computing kpt #: 105 total cpu time spent up to now is 121.7 secs Computing kpt #: 106 total cpu time spent up to now is 122.8 secs Computing kpt #: 107 total cpu time spent up to now is 123.9 secs Computing kpt #: 108 total cpu time spent up to now is 125.1 secs Computing kpt #: 109 total cpu time spent up to now is 126.3 secs Computing kpt #: 110 total cpu time spent up to now is 127.4 secs Computing kpt #: 111 total cpu time spent up to now is 128.5 secs Computing kpt #: 112 total cpu time spent up to now is 129.5 secs Computing kpt #: 113 total cpu time spent up to now is 130.6 secs Computing kpt #: 114 total cpu time spent up to now is 131.7 secs Computing kpt #: 115 total cpu time spent up to now is 132.8 secs Computing kpt #: 116 total cpu time spent up to now is 133.9 secs Computing kpt #: 117 total cpu time spent up to now is 134.9 secs Computing kpt #: 118 total cpu time spent up to now is 136.0 secs Computing kpt #: 119 total cpu time spent up to now is 137.1 secs Computing kpt #: 120 total cpu time spent up to now is 138.2 secs Computing kpt #: 121 total cpu time spent up to now is 139.2 secs Computing kpt #: 122 total cpu time spent up to now is 140.3 secs Computing kpt #: 123 total cpu time spent up to now is 141.4 secs Computing kpt #: 124 total cpu time spent up to now is 142.5 secs Computing kpt #: 125 total cpu time spent up to now is 143.5 secs Computing kpt #: 126 total cpu time spent up to now is 144.6 secs Computing kpt #: 127 total cpu time spent up to now is 145.7 secs Computing kpt #: 128 total cpu time spent up to now is 146.8 secs Computing kpt #: 129 total cpu time spent up to now is 147.8 secs Computing kpt #: 130 total cpu time spent up to now is 148.9 secs Computing kpt #: 131 total cpu time spent up to now is 150.0 secs Computing kpt #: 132 total cpu time spent up to now is 151.1 secs Computing kpt #: 133 total cpu time spent up to now is 152.1 secs Computing kpt #: 134 total cpu time spent up to now is 153.2 secs Computing kpt #: 135 total cpu time spent up to now is 154.3 secs Computing kpt #: 136 total cpu time spent up to now is 155.3 secs Computing kpt #: 137 total cpu time spent up to now is 156.3 secs Computing kpt #: 138 total cpu time spent up to now is 157.4 secs Computing kpt #: 139 total cpu time spent up to now is 158.4 secs Computing kpt #: 140 total cpu time spent up to now is 159.4 secs Computing kpt #: 141 total cpu time spent up to now is 160.4 secs Computing kpt #: 142 total cpu time spent up to now is 161.5 secs Computing kpt #: 143 total cpu time spent up to now is 162.5 secs Computing kpt #: 144 total cpu time spent up to now is 163.5 secs Computing kpt #: 145 total cpu time spent up to now is 164.5 secs Computing kpt #: 146 total cpu time spent up to now is 165.5 secs Computing kpt #: 147 total cpu time spent up to now is 166.6 secs Computing kpt #: 148 total cpu time spent up to now is 167.6 secs Computing kpt #: 149 total cpu time spent up to now is 168.6 secs Computing kpt #: 150 total cpu time spent up to now is 169.7 secs Computing kpt #: 151 total cpu time spent up to now is 170.7 secs Computing kpt #: 152 total cpu time spent up to now is 171.7 secs Computing kpt #: 153 total cpu time spent up to now is 172.7 secs Computing kpt #: 154 total cpu time spent up to now is 173.7 secs Computing kpt #: 155 total cpu time spent up to now is 174.8 secs Computing kpt #: 156 total cpu time spent up to now is 175.8 secs Computing kpt #: 157 total cpu time spent up to now is 176.8 secs Computing kpt #: 158 total cpu time spent up to now is 177.8 secs Computing kpt #: 159 total cpu time spent up to now is 178.9 secs Computing kpt #: 160 total cpu time spent up to now is 179.9 secs Computing kpt #: 161 total cpu time spent up to now is 181.0 secs Computing kpt #: 162 total cpu time spent up to now is 182.0 secs Computing kpt #: 163 total cpu time spent up to now is 183.0 secs Computing kpt #: 164 total cpu time spent up to now is 184.1 secs Computing kpt #: 165 total cpu time spent up to now is 185.2 secs Computing kpt #: 166 total cpu time spent up to now is 186.2 secs Computing kpt #: 167 total cpu time spent up to now is 187.3 secs Computing kpt #: 168 total cpu time spent up to now is 188.5 secs Computing kpt #: 169 total cpu time spent up to now is 189.6 secs Computing kpt #: 170 total cpu time spent up to now is 190.6 secs Computing kpt #: 171 total cpu time spent up to now is 191.9 secs Computing kpt #: 172 total cpu time spent up to now is 193.1 secs Computing kpt #: 173 total cpu time spent up to now is 194.3 secs Computing kpt #: 174 total cpu time spent up to now is 195.5 secs Computing kpt #: 175 total cpu time spent up to now is 196.5 secs Computing kpt #: 176 total cpu time spent up to now is 197.6 secs Computing kpt #: 177 total cpu time spent up to now is 198.7 secs Computing kpt #: 178 total cpu time spent up to now is 199.8 secs Computing kpt #: 179 total cpu time spent up to now is 200.8 secs Computing kpt #: 180 total cpu time spent up to now is 201.9 secs Computing kpt #: 181 total cpu time spent up to now is 202.9 secs Computing kpt #: 182 total cpu time spent up to now is 204.0 secs Computing kpt #: 183 total cpu time spent up to now is 205.0 secs Computing kpt #: 184 total cpu time spent up to now is 206.1 secs Computing kpt #: 185 total cpu time spent up to now is 207.1 secs Computing kpt #: 186 total cpu time spent up to now is 208.1 secs Computing kpt #: 187 total cpu time spent up to now is 209.2 secs Computing kpt #: 188 total cpu time spent up to now is 210.2 secs Computing kpt #: 189 total cpu time spent up to now is 211.3 secs Computing kpt #: 190 total cpu time spent up to now is 212.3 secs Computing kpt #: 191 total cpu time spent up to now is 213.3 secs Computing kpt #: 192 total cpu time spent up to now is 214.4 secs Computing kpt #: 193 total cpu time spent up to now is 215.4 secs Computing kpt #: 194 total cpu time spent up to now is 216.4 secs ethr = 2.00E-08, avg # of iterations = 19.8 total cpu time spent up to now is 216.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 10877 PWs) bands (ev): -10.7748 -10.7748 -10.2724 -10.2724 -9.5446 -9.5446 -9.5444 -9.5444 -9.4874 -9.4874 -9.4874 -9.4874 -5.6694 -5.6694 -3.9455 -3.9455 -1.9028 -1.9028 -1.6203 -1.6203 -1.4492 -1.4492 -1.3674 -1.3674 -0.9180 -0.9180 0.3712 0.3712 0.4708 0.4708 0.5885 0.5885 0.7826 0.7826 0.8372 0.8372 0.9892 0.9892 1.0735 1.0735 1.3506 1.3506 1.6662 1.6662 1.7868 1.7868 2.0021 2.0021 2.0146 2.0146 5.0423 5.0423 5.5862 5.5862 5.6164 5.6164 5.6463 5.6463 7.1639 7.1639 k = 0.0185-0.0156-0.0103 ( 10875 PWs) bands (ev): -10.7743 -10.7743 -10.2722 -10.2722 -9.5452 -9.5452 -9.5446 -9.5446 -9.4876 -9.4876 -9.4876 -9.4876 -5.6689 -5.6689 -3.9452 -3.9452 -1.9024 -1.9024 -1.6204 -1.6204 -1.4480 -1.4480 -1.3668 -1.3668 -0.9175 -0.9175 0.3698 0.3698 0.4724 0.4724 0.5876 0.5876 0.7801 0.7801 0.8382 0.8382 0.9839 0.9839 1.0798 1.0798 1.3515 1.3515 1.6648 1.6648 1.7865 1.7865 1.9996 1.9996 2.0127 2.0127 5.0438 5.0438 5.5845 5.5845 5.6174 5.6174 5.6496 5.6496 7.1595 7.1595 k = 0.0370-0.0312-0.0206 ( 10873 PWs) bands (ev): -10.7730 -10.7730 -10.2714 -10.2714 -9.5473 -9.5473 -9.5451 -9.5451 -9.4883 -9.4883 -9.4881 -9.4881 -5.6671 -5.6671 -3.9443 -3.9443 -1.9012 -1.9012 -1.6204 -1.6204 -1.4447 -1.4447 -1.3651 -1.3651 -0.9160 -0.9160 0.3660 0.3660 0.4766 0.4766 0.5849 0.5849 0.7737 0.7737 0.8406 0.8406 0.9715 0.9715 1.0951 1.0951 1.3542 1.3542 1.6605 1.6605 1.7854 1.7854 1.9924 1.9924 2.0072 2.0072 5.0483 5.0483 5.5805 5.5805 5.6193 5.6193 5.6597 5.6597 7.1508 7.1508 k = 0.0556-0.0469-0.0310 ( 10869 PWs) bands (ev): -10.7706 -10.7706 -10.2702 -10.2702 -9.5508 -9.5508 -9.5459 -9.5459 -9.4895 -9.4895 -9.4890 -9.4890 -5.6643 -5.6643 -3.9428 -3.9428 -1.8992 -1.8992 -1.6204 -1.6204 -1.4392 -1.4392 -1.3623 -1.3623 -0.9133 -0.9133 0.3603 0.3603 0.4817 0.4817 0.5814 0.5814 0.7650 0.7650 0.8432 0.8432 0.9570 0.9570 1.1146 1.1146 1.3583 1.3583 1.6534 1.6534 1.7833 1.7833 1.9810 1.9810 1.9983 1.9983 5.0553 5.0553 5.5759 5.5759 5.6206 5.6206 5.6760 5.6760 7.1409 7.1409 k = 0.0741-0.0625-0.0413 ( 10872 PWs) bands (ev): -10.7674 -10.7674 -10.2684 -10.2684 -9.5556 -9.5556 -9.5469 -9.5469 -9.4912 -9.4912 -9.4902 -9.4902 -5.6603 -5.6603 -3.9407 -3.9407 -1.8965 -1.8965 -1.6201 -1.6201 -1.4319 -1.4319 -1.3584 -1.3584 -0.9095 -0.9095 0.3531 0.3531 0.4847 0.4847 0.5785 0.5785 0.7555 0.7555 0.8448 0.8448 0.9432 0.9432 1.1355 1.1355 1.3636 1.3636 1.6435 1.6435 1.7798 1.7798 1.9664 1.9664 1.9867 1.9867 5.0643 5.0643 5.5711 5.5711 5.6213 5.6213 5.6974 5.6974 7.1305 7.1305 k = 0.0926-0.0781-0.0516 ( 10877 PWs) bands (ev): -10.7633 -10.7633 -10.2662 -10.2662 -9.5616 -9.5616 -9.5482 -9.5482 -9.4933 -9.4933 -9.4918 -9.4918 -5.6553 -5.6553 -3.9381 -3.9381 -1.8931 -1.8931 -1.6193 -1.6193 -1.4229 -1.4229 -1.3535 -1.3535 -0.9045 -0.9045 0.3447 0.3447 0.4830 0.4830 0.5780 0.5780 0.7469 0.7469 0.8445 0.8445 0.9314 0.9314 1.1567 1.1567 1.3696 1.3696 1.6310 1.6310 1.7746 1.7746 1.9499 1.9499 1.9730 1.9730 5.0747 5.0747 5.5663 5.5663 5.6217 5.6217 5.7227 5.7227 7.1192 7.1192 k = 0.1111-0.0937-0.0619 ( 10878 PWs) bands (ev): -10.7584 -10.7584 -10.2636 -10.2636 -9.5688 -9.5688 -9.5496 -9.5496 -9.4959 -9.4959 -9.4937 -9.4937 -5.6493 -5.6493 -3.9350 -3.9350 -1.8892 -1.8892 -1.6180 -1.6180 -1.4127 -1.4127 -1.3478 -1.3478 -0.8981 -0.8981 0.3350 0.3350 0.4751 0.4751 0.5799 0.5799 0.7408 0.7408 0.8419 0.8419 0.9224 0.9224 1.1775 1.1775 1.3757 1.3757 1.6161 1.6161 1.7669 1.7669 1.9325 1.9325 1.9586 1.9586 5.0856 5.0856 5.5615 5.5615 5.6219 5.6219 5.7510 5.7510 7.1068 7.1068 k = 0.1296-0.1094-0.0723 ( 10875 PWs) bands (ev): -10.7526 -10.7526 -10.2606 -10.2606 -9.5770 -9.5770 -9.5513 -9.5513 -9.4990 -9.4990 -9.4960 -9.4960 -5.6423 -5.6423 -3.9313 -3.9313 -1.8848 -1.8848 -1.6158 -1.6158 -1.4015 -1.4015 -1.3411 -1.3411 -0.8902 -0.8902 0.3236 0.3236 0.4620 0.4620 0.5822 0.5822 0.7384 0.7384 0.8367 0.8367 0.9166 0.9166 1.1974 1.1974 1.3813 1.3813 1.5991 1.5991 1.7564 1.7564 1.9150 1.9150 1.9448 1.9448 5.0961 5.0961 5.5565 5.5565 5.6221 5.6221 5.7814 5.7814 7.0928 7.0928 k = 0.1481-0.1250-0.0826 ( 10878 PWs) bands (ev): -10.7461 -10.7461 -10.2572 -10.2572 -9.5863 -9.5863 -9.5532 -9.5532 -9.5026 -9.5026 -9.4985 -9.4985 -5.6345 -5.6345 -3.9272 -3.9272 -1.8800 -1.8800 -1.6127 -1.6127 -1.3897 -1.3897 -1.3336 -1.3336 -0.8810 -0.8810 0.3103 0.3103 0.4458 0.4458 0.5820 0.5820 0.7405 0.7405 0.8299 0.8299 0.9136 0.9136 1.2157 1.2157 1.3861 1.3861 1.5806 1.5806 1.7432 1.7432 1.8974 1.8974 1.9334 1.9334 5.1057 5.1057 5.5513 5.5513 5.6221 5.6221 5.8129 5.8129 7.0768 7.0768 k = 0.1667-0.1406-0.0929 ( 10875 PWs) bands (ev): -10.7389 -10.7389 -10.2535 -10.2535 -9.5964 -9.5964 -9.5551 -9.5551 -9.5065 -9.5065 -9.5013 -9.5013 -5.6260 -5.6260 -3.9227 -3.9227 -1.8750 -1.8750 -1.6085 -1.6085 -1.3777 -1.3777 -1.3253 -1.3253 -0.8702 -0.8702 0.2949 0.2949 0.4283 0.4283 0.5775 0.5775 0.7458 0.7458 0.8232 0.8232 0.9130 0.9130 1.2315 1.2315 1.3900 1.3900 1.5616 1.5616 1.7279 1.7279 1.8796 1.8796 1.9258 1.9258 5.1135 5.1135 5.5458 5.5458 5.6218 5.6218 5.8447 5.8447 7.0588 7.0588 k = 0.1852-0.1562-0.1032 ( 10881 PWs) bands (ev): -10.7310 -10.7310 -10.2494 -10.2494 -9.6072 -9.6072 -9.5572 -9.5572 -9.5109 -9.5109 -9.5044 -9.5044 -5.6168 -5.6168 -3.9178 -3.9178 -1.8697 -1.8697 -1.6032 -1.6032 -1.3659 -1.3659 -1.3160 -1.3160 -0.8582 -0.8582 0.2773 0.2773 0.4107 0.4107 0.5687 0.5687 0.7502 0.7502 0.8197 0.8197 0.9141 0.9141 1.2435 1.2435 1.3932 1.3932 1.5436 1.5436 1.7115 1.7115 1.8617 1.8617 1.9219 1.9219 5.1193 5.1193 5.5399 5.5399 5.6209 5.6209 5.8760 5.8760 7.0391 7.0391 k = 0.2037-0.1718-0.1136 ( 10884 PWs) bands (ev): -10.7225 -10.7225 -10.2452 -10.2452 -9.6187 -9.6187 -9.5593 -9.5593 -9.5155 -9.5155 -9.5077 -9.5077 -5.6071 -5.6071 -3.9126 -3.9126 -1.8643 -1.8643 -1.5967 -1.5967 -1.3546 -1.3546 -1.3058 -1.3058 -0.8450 -0.8450 0.2581 0.2581 0.3934 0.3934 0.5563 0.5563 0.7488 0.7488 0.8228 0.8228 0.9170 0.9170 1.2499 1.2499 1.3967 1.3967 1.5279 1.5279 1.6952 1.6952 1.8440 1.8440 1.9213 1.9213 5.1227 5.1227 5.5336 5.5336 5.6192 5.6192 5.9061 5.9061 7.0181 7.0181 k = 0.2222-0.1875-0.1239 ( 10877 PWs) bands (ev): -10.7135 -10.7135 -10.2408 -10.2408 -9.6307 -9.6307 -9.5613 -9.5613 -9.5205 -9.5205 -9.5112 -9.5112 -5.5970 -5.5970 -3.9072 -3.9072 -1.8588 -1.8588 -1.5891 -1.5891 -1.3441 -1.3441 -1.2947 -1.2947 -0.8310 -0.8310 0.2380 0.2380 0.3765 0.3765 0.5411 0.5411 0.7401 0.7401 0.8317 0.8317 0.9220 0.9220 1.2494 1.2494 1.4014 1.4014 1.5160 1.5160 1.6799 1.6799 1.8270 1.8270 1.9233 1.9233 5.1237 5.1237 5.5269 5.5269 5.6162 5.6162 5.9343 5.9343 6.9967 6.9967 k = 0.2407-0.2031-0.1342 ( 10863 PWs) bands (ev): -10.7041 -10.7041 -10.2363 -10.2363 -9.6430 -9.6430 -9.5634 -9.5634 -9.5257 -9.5257 -9.5149 -9.5149 -5.5866 -5.5866 -3.9015 -3.9015 -1.8531 -1.8531 -1.5805 -1.5805 -1.3346 -1.3346 -1.2830 -1.2830 -0.8163 -0.8163 0.2179 0.2179 0.3596 0.3596 0.5240 0.5240 0.7265 0.7265 0.8419 0.8419 0.9297 0.9297 1.2419 1.2419 1.4074 1.4074 1.5089 1.5089 1.6662 1.6662 1.8111 1.8111 1.9272 1.9272 5.1224 5.1224 5.5197 5.5197 5.6117 5.6117 5.9602 5.9602 6.9754 6.9754 k = 0.2593-0.2187-0.1445 ( 10867 PWs) bands (ev): -10.6944 -10.6944 -10.2318 -10.2318 -9.6555 -9.6555 -9.5654 -9.5654 -9.5311 -9.5311 -9.5186 -9.5186 -5.5761 -5.5761 -3.8958 -3.8958 -1.8474 -1.8474 -1.5710 -1.5710 -1.3260 -1.3260 -1.2709 -1.2709 -0.8015 -0.8015 0.1988 0.1988 0.3425 0.3425 0.5057 0.5057 0.7100 0.7100 0.8496 0.8496 0.9405 0.9405 1.2290 1.2290 1.4135 1.4135 1.5069 1.5069 1.6547 1.6547 1.7966 1.7966 1.9324 1.9324 5.1191 5.1191 5.5123 5.5123 5.6053 5.6053 5.9835 5.9835 6.9551 6.9551 k = 0.2778-0.2343-0.1549 ( 10873 PWs) bands (ev): -10.6845 -10.6845 -10.2273 -10.2273 -9.6681 -9.6681 -9.5672 -9.5672 -9.5366 -9.5366 -9.5224 -9.5224 -5.5656 -5.5656 -3.8901 -3.8901 -1.8416 -1.8416 -1.5606 -1.5606 -1.3185 -1.3185 -1.2585 -1.2585 -0.7868 -0.7868 0.1814 0.1814 0.3247 0.3247 0.4872 0.4872 0.6916 0.6916 0.8537 0.8537 0.9534 0.9534 1.2133 1.2133 1.4184 1.4184 1.5098 1.5098 1.6457 1.6457 1.7839 1.7839 1.9384 1.9384 5.1140 5.1140 5.5046 5.5046 5.5970 5.5970 6.0039 6.0039 6.9362 6.9362 k = 0.2963-0.2500-0.1652 ( 10866 PWs) bands (ev): -10.6745 -10.6745 -10.2229 -10.2229 -9.6805 -9.6805 -9.5689 -9.5689 -9.5421 -9.5421 -9.5262 -9.5262 -5.5553 -5.5553 -3.8844 -3.8844 -1.8358 -1.8358 -1.5496 -1.5496 -1.3124 -1.3124 -1.2461 -1.2461 -0.7727 -0.7727 0.1664 0.1664 0.3060 0.3060 0.4690 0.4690 0.6720 0.6720 0.8542 0.8542 0.9668 0.9668 1.1969 1.1969 1.4216 1.4216 1.5162 1.5162 1.6395 1.6395 1.7732 1.7732 1.9451 1.9451 5.1075 5.1075 5.4967 5.4967 5.5867 5.5867 6.0213 6.0213 6.9191 6.9191 k = 0.3148-0.2656-0.1755 ( 10861 PWs) bands (ev): -10.6646 -10.6646 -10.2187 -10.2187 -9.6926 -9.6926 -9.5705 -9.5705 -9.5476 -9.5476 -9.5300 -9.5300 -5.5452 -5.5452 -3.8788 -3.8788 -1.8299 -1.8299 -1.5381 -1.5381 -1.3077 -1.3077 -1.2336 -1.2336 -0.7594 -0.7594 0.1541 0.1541 0.2863 0.2863 0.4520 0.4520 0.6515 0.6515 0.8519 0.8519 0.9793 0.9793 1.1817 1.1817 1.4236 1.4236 1.5239 1.5239 1.6366 1.6366 1.7648 1.7648 1.9520 1.9520 5.0999 5.0999 5.4889 5.4889 5.5747 5.5747 6.0359 6.0359 6.9040 6.9040 k = 0.3333-0.2812-0.1858 ( 10857 PWs) bands (ev): -10.6549 -10.6549 -10.2148 -10.2148 -9.7043 -9.7043 -9.5719 -9.5719 -9.5529 -9.5529 -9.5337 -9.5337 -5.5356 -5.5356 -3.8735 -3.8735 -1.8240 -1.8240 -1.5262 -1.5262 -1.3048 -1.3048 -1.2211 -1.2211 -0.7473 -0.7473 0.1446 0.1446 0.2659 0.2659 0.4369 0.4369 0.6304 0.6304 0.8477 0.8477 0.9896 0.9896 1.1683 1.1683 1.4253 1.4253 1.5305 1.5305 1.6372 1.6372 1.7589 1.7589 1.9591 1.9591 5.0916 5.0916 5.4812 5.4812 5.5612 5.5612 6.0478 6.0478 6.8910 6.8910 k = 0.3519-0.2968-0.1962 ( 10868 PWs) bands (ev): -10.6456 -10.6456 -10.2111 -10.2111 -9.7152 -9.7152 -9.5730 -9.5730 -9.5580 -9.5580 -9.5373 -9.5373 -5.5266 -5.5266 -3.8685 -3.8685 -1.8181 -1.8181 -1.5140 -1.5140 -1.3037 -1.3037 -1.2088 -1.2088 -0.7366 -0.7366 0.1378 0.1378 0.2452 0.2452 0.4243 0.4243 0.6089 0.6089 0.8423 0.8423 0.9974 0.9974 1.1569 1.1569 1.4276 1.4276 1.5342 1.5342 1.6416 1.6416 1.7552 1.7552 1.9661 1.9661 5.0829 5.0829 5.4737 5.4737 5.5468 5.5468 6.0573 6.0573 6.8800 6.8800 k = 0.3704-0.3124-0.2065 ( 10872 PWs) bands (ev): -10.6368 -10.6368 -10.2078 -10.2078 -9.7254 -9.7254 -9.5740 -9.5740 -9.5627 -9.5627 -9.5406 -9.5406 -5.5182 -5.5182 -3.8638 -3.8638 -1.8125 -1.8125 -1.5018 -1.5018 -1.3046 -1.3046 -1.1968 -1.1968 -0.7275 -0.7275 0.1329 0.1329 0.2252 0.2252 0.4145 0.4145 0.5871 0.5871 0.8362 0.8362 1.0028 1.0028 1.1474 1.1474 1.4309 1.4309 1.5344 1.5344 1.6492 1.6492 1.7536 1.7536 1.9729 1.9729 5.0743 5.0743 5.4669 5.4669 5.5319 5.5319 6.0648 6.0648 6.8707 6.8707 k = 0.3889-0.3281-0.2168 ( 10875 PWs) bands (ev): -10.6287 -10.6287 -10.2049 -10.2049 -9.7346 -9.7346 -9.5748 -9.5748 -9.5671 -9.5671 -9.5437 -9.5437 -5.5107 -5.5107 -3.8597 -3.8597 -1.8072 -1.8072 -1.4896 -1.4896 -1.3074 -1.3074 -1.1854 -1.1854 -0.7198 -0.7198 0.1290 0.1290 0.2072 0.2072 0.4081 0.4081 0.5652 0.5652 0.8301 0.8301 1.0063 1.0063 1.1392 1.1392 1.4355 1.4355 1.5315 1.5315 1.6593 1.6593 1.7532 1.7532 1.9794 1.9794 5.0659 5.0659 5.4607 5.4607 5.5170 5.5170 6.0705 6.0705 6.8630 6.8630 k = 0.4074-0.3437-0.2271 ( 10883 PWs) bands (ev): -10.6215 -10.6215 -10.2024 -10.2024 -9.7426 -9.7426 -9.5754 -9.5754 -9.5709 -9.5709 -9.5465 -9.5465 -5.5042 -5.5042 -3.8560 -3.8560 -1.8023 -1.8023 -1.4776 -1.4776 -1.3117 -1.3117 -1.1748 -1.1748 -0.7135 -0.7135 0.1244 0.1244 0.1931 0.1931 0.4050 0.4050 0.5434 0.5434 0.8243 0.8243 1.0084 1.0084 1.1319 1.1319 1.4413 1.4413 1.5261 1.5261 1.6707 1.6707 1.7534 1.7534 1.9853 1.9853 5.0582 5.0582 5.4556 5.4556 5.5028 5.5028 6.0747 6.0747 6.8565 6.8565 k = 0.4259-0.3593-0.2375 ( 10880 PWs) bands (ev): -10.6154 -10.6154 -10.2004 -10.2004 -9.7493 -9.7493 -9.5759 -9.5759 -9.5741 -9.5741 -9.5490 -9.5490 -5.4987 -5.4987 -3.8529 -3.8529 -1.7980 -1.7980 -1.4664 -1.4664 -1.3171 -1.3171 -1.1655 -1.1655 -0.7087 -0.7087 0.1179 0.1179 0.1843 0.1843 0.4055 0.4055 0.5220 0.5220 0.8192 0.8192 1.0098 1.0098 1.1255 1.1255 1.4482 1.4482 1.5189 1.5189 1.6824 1.6824 1.7534 1.7534 1.9907 1.9907 5.0514 5.0514 5.4517 5.4517 5.4896 5.4896 6.0779 6.0779 6.8511 6.8511 k = 0.4444-0.3749-0.2478 ( 10883 PWs) bands (ev): -10.6104 -10.6104 -10.1989 -10.1989 -9.7547 -9.7547 -9.5771 -9.5771 -9.5757 -9.5757 -9.5510 -9.5510 -5.4943 -5.4943 -3.8505 -3.8505 -1.7945 -1.7945 -1.4562 -1.4562 -1.3229 -1.3229 -1.1578 -1.1578 -0.7050 -0.7050 0.1100 0.1100 0.1803 0.1803 0.4093 0.4093 0.5014 0.5014 0.8151 0.8151 1.0106 1.0106 1.1200 1.1200 1.4560 1.4560 1.5107 1.5107 1.6935 1.6935 1.7527 1.7527 1.9951 1.9951 5.0458 5.0458 5.4493 5.4493 5.4780 5.4780 6.0801 6.0801 6.8468 6.8468 k = 0.4630-0.3906-0.2581 ( 10895 PWs) bands (ev): -10.6068 -10.6068 -10.1977 -10.1977 -9.7586 -9.7586 -9.5789 -9.5789 -9.5759 -9.5759 -9.5525 -9.5525 -5.4911 -5.4911 -3.8487 -3.8487 -1.7918 -1.7918 -1.4478 -1.4478 -1.3284 -1.3284 -1.1520 -1.1520 -0.7025 -0.7025 0.1026 0.1026 0.1793 0.1793 0.4161 0.4161 0.4823 0.4823 0.8121 0.8121 1.0111 1.0111 1.1157 1.1157 1.4645 1.4645 1.5017 1.5017 1.7032 1.7032 1.7512 1.7512 1.9985 1.9985 5.0417 5.0417 5.4485 5.4485 5.4684 5.4684 6.0815 6.0815 6.8436 6.8436 k = 0.4815-0.4062-0.2684 ( 10899 PWs) bands (ev): -10.6045 -10.6045 -10.1971 -10.1971 -9.7610 -9.7610 -9.5801 -9.5801 -9.5760 -9.5760 -9.5534 -9.5534 -5.4892 -5.4892 -3.8476 -3.8476 -1.7902 -1.7902 -1.4422 -1.4422 -1.3323 -1.3323 -1.1485 -1.1485 -0.7010 -0.7010 0.0974 0.0974 0.1795 0.1795 0.4248 0.4248 0.4662 0.4662 0.8103 0.8103 1.0115 1.0115 1.1130 1.1130 1.4735 1.4735 1.4925 1.4925 1.7102 1.7102 1.7494 1.7494 2.0006 2.0006 5.0391 5.0391 5.4493 5.4493 5.4611 5.4611 6.0824 6.0824 6.8415 6.8415 k = 0.5000-0.4218-0.2788 ( 10894 PWs) bands (ev): -10.6038 -10.6038 -10.1969 -10.1969 -9.7618 -9.7618 -9.5805 -9.5805 -9.5760 -9.5760 -9.5537 -9.5537 -5.4886 -5.4886 -3.8473 -3.8473 -1.7897 -1.7897 -1.4402 -1.4402 -1.3338 -1.3338 -1.1473 -1.1473 -0.7005 -0.7005 0.0956 0.0956 0.1797 0.1797 0.4303 0.4303 0.4582 0.4582 0.8097 0.8097 1.0116 1.0116 1.1121 1.1121 1.4813 1.4813 1.4845 1.4845 1.7128 1.7128 1.7486 1.7486 2.0013 2.0013 5.0382 5.0382 5.4504 5.4504 5.4578 5.4578 6.0826 6.0826 6.8408 6.8408 k = 0.5000-0.4218-0.2788 ( 10894 PWs) bands (ev): -10.6038 -10.6038 -10.1969 -10.1969 -9.7618 -9.7618 -9.5805 -9.5805 -9.5760 -9.5760 -9.5537 -9.5537 -5.4886 -5.4886 -3.8473 -3.8473 -1.7897 -1.7897 -1.4402 -1.4402 -1.3338 -1.3338 -1.1473 -1.1473 -0.7005 -0.7005 0.0956 0.0956 0.1797 0.1797 0.4303 0.4303 0.4582 0.4582 0.8097 0.8097 1.0116 1.0116 1.1121 1.1121 1.4813 1.4813 1.4845 1.4845 1.7128 1.7128 1.7486 1.7486 2.0013 2.0013 5.0382 5.0382 5.4504 5.4504 5.4578 5.4578 6.0826 6.0826 6.8408 6.8408 k = 0.5000-0.4075-0.3004 ( 10900 PWs) bands (ev): -10.6035 -10.6035 -10.1968 -10.1968 -9.7616 -9.7616 -9.5805 -9.5805 -9.5765 -9.5765 -9.5540 -9.5540 -5.4882 -5.4882 -3.8469 -3.8469 -1.7894 -1.7894 -1.4408 -1.4408 -1.3327 -1.3327 -1.1476 -1.1476 -0.7017 -0.7017 0.0940 0.0940 0.1804 0.1804 0.4230 0.4230 0.4666 0.4666 0.8096 0.8096 1.0102 1.0102 1.1135 1.1135 1.4678 1.4678 1.4972 1.4972 1.7141 1.7141 1.7496 1.7496 2.0019 2.0019 5.0357 5.0357 5.4299 5.4299 5.4777 5.4777 6.0813 6.0813 6.8410 6.8410 k = 0.5000-0.3932-0.3220 ( 10900 PWs) bands (ev): -10.6028 -10.6028 -10.1965 -10.1965 -9.7611 -9.7611 -9.5807 -9.5807 -9.5776 -9.5776 -9.5547 -9.5547 -5.4872 -5.4872 -3.8459 -3.8459 -1.7884 -1.7884 -1.4426 -1.4426 -1.3296 -1.3296 -1.1486 -1.1486 -0.7053 -0.7053 0.0894 0.0894 0.1821 0.1821 0.4104 0.4104 0.4823 0.4823 0.8095 0.8095 1.0062 1.0062 1.1172 1.1172 1.4520 1.4520 1.5105 1.5105 1.7177 1.7177 1.7524 1.7524 2.0037 2.0037 5.0282 5.0282 5.4056 5.4056 5.5000 5.5000 6.0772 6.0772 6.8415 6.8415 k = 0.5000-0.3789-0.3436 ( 10906 PWs) bands (ev): -10.6016 -10.6016 -10.1962 -10.1962 -9.7603 -9.7603 -9.5825 -9.5825 -9.5781 -9.5781 -9.5560 -9.5560 -5.4855 -5.4855 -3.8443 -3.8443 -1.7868 -1.7868 -1.4454 -1.4454 -1.3247 -1.3247 -1.1501 -1.1501 -0.7111 -0.7111 0.0823 0.0823 0.1843 0.1843 0.3978 0.3978 0.5000 0.5000 0.8091 0.8091 1.0005 1.0005 1.1228 1.1228 1.4355 1.4355 1.5229 1.5229 1.7233 1.7233 1.7571 1.7571 2.0066 2.0066 5.0162 5.0162 5.3807 5.3807 5.5216 5.5216 6.0706 6.0706 6.8427 6.8427 k = 0.5000-0.3647-0.3652 ( 10912 PWs) bands (ev): -10.6000 -10.6000 -10.1957 -10.1957 -9.7591 -9.7591 -9.5862 -9.5862 -9.5776 -9.5776 -9.5577 -9.5577 -5.4832 -5.4832 -3.8422 -3.8422 -1.7846 -1.7846 -1.4491 -1.4491 -1.3183 -1.3183 -1.1519 -1.1519 -0.7190 -0.7190 0.0735 0.0735 0.1864 0.1864 0.3865 0.3865 0.5185 0.5185 0.8085 0.8085 0.9938 0.9938 1.1293 1.1293 1.4186 1.4186 1.5344 1.5344 1.7306 1.7306 1.7635 1.7635 2.0106 2.0106 5.0004 5.0004 5.3556 5.3556 5.5422 5.5422 6.0617 6.0617 6.8448 6.8448 k = 0.5000-0.3504-0.3868 ( 10906 PWs) bands (ev): -10.5979 -10.5979 -10.1952 -10.1952 -9.7576 -9.7576 -9.5910 -9.5910 -9.5766 -9.5766 -9.5598 -9.5598 -5.4803 -5.4803 -3.8395 -3.8395 -1.7817 -1.7817 -1.4534 -1.4534 -1.3109 -1.3109 -1.1538 -1.1538 -0.7288 -0.7288 0.0635 0.0635 0.1877 0.1877 0.3769 0.3769 0.5371 0.5371 0.8075 0.8075 0.9869 0.9869 1.1361 1.1361 1.4014 1.4014 1.5450 1.5450 1.7389 1.7389 1.7716 1.7716 2.0156 2.0156 4.9816 4.9816 5.3306 5.3306 5.5619 5.5619 6.0509 6.0509 6.8480 6.8480 k = 0.5000-0.3361-0.4084 ( 10892 PWs) bands (ev): -10.5955 -10.5955 -10.1946 -10.1946 -9.7558 -9.7558 -9.5967 -9.5967 -9.5755 -9.5755 -9.5622 -9.5622 -5.4770 -5.4770 -3.8366 -3.8366 -1.7781 -1.7781 -1.4582 -1.4582 -1.3030 -1.3030 -1.1554 -1.1554 -0.7401 -0.7401 0.0526 0.0526 0.1880 0.1880 0.3692 0.3692 0.5557 0.5557 0.8062 0.8062 0.9802 0.9802 1.1428 1.1428 1.3841 1.3841 1.5546 1.5546 1.7476 1.7476 1.7813 1.7813 2.0216 2.0216 4.9608 4.9608 5.3061 5.3061 5.5805 5.5805 6.0386 6.0386 6.8523 6.8523 k = 0.5000-0.3218-0.4301 ( 10884 PWs) bands (ev): -10.5928 -10.5928 -10.1941 -10.1941 -9.7538 -9.7538 -9.6032 -9.6032 -9.5743 -9.5743 -9.5646 -9.5646 -5.4733 -5.4733 -3.8334 -3.8334 -1.7738 -1.7738 -1.4633 -1.4633 -1.2951 -1.2951 -1.1562 -1.1562 -0.7527 -0.7527 0.0413 0.0413 0.1870 0.1870 0.3634 0.3634 0.5737 0.5737 0.8046 0.8046 0.9740 0.9740 1.1489 1.1489 1.3670 1.3670 1.5633 1.5633 1.7560 1.7560 1.7924 1.7924 2.0283 2.0283 4.9389 4.9389 5.2826 5.2826 5.5979 5.5979 6.0252 6.0252 6.8569 6.8569 k = 0.5000-0.3075-0.4517 ( 10872 PWs) bands (ev): -10.5897 -10.5897 -10.1937 -10.1937 -9.7514 -9.7514 -9.6103 -9.6103 -9.5738 -9.5738 -9.5663 -9.5663 -5.4692 -5.4692 -3.8301 -3.8301 -1.7688 -1.7688 -1.4685 -1.4685 -1.2879 -1.2879 -1.1558 -1.1558 -0.7659 -0.7659 0.0298 0.0298 0.1848 0.1848 0.3595 0.3595 0.5910 0.5910 0.8027 0.8027 0.9684 0.9684 1.1540 1.1540 1.3504 1.3504 1.5709 1.5709 1.7636 1.7636 1.8046 1.8046 2.0356 2.0356 4.9170 4.9170 5.2606 5.2606 5.6140 5.6140 6.0114 6.0114 6.8604 6.8604 k = 0.5000-0.2932-0.4733 ( 10866 PWs) bands (ev): -10.5865 -10.5865 -10.1935 -10.1935 -9.7487 -9.7487 -9.6179 -9.6179 -9.5749 -9.5749 -9.5664 -9.5664 -5.4650 -5.4650 -3.8270 -3.8270 -1.7632 -1.7632 -1.4736 -1.4736 -1.2822 -1.2822 -1.1538 -1.1538 -0.7795 -0.7795 0.0183 0.0183 0.1815 0.1815 0.3572 0.3572 0.6072 0.6072 0.8007 0.8007 0.9634 0.9634 1.1578 1.1578 1.3346 1.3346 1.5772 1.5772 1.7704 1.7704 1.8176 1.8176 2.0432 2.0432 4.8959 4.8959 5.2406 5.2406 5.6289 5.6289 5.9976 5.9976 6.8603 6.8603 k = 0.5000-0.2789-0.4949 ( 10876 PWs) bands (ev): -10.5831 -10.5831 -10.1935 -10.1935 -9.7458 -9.7458 -9.6258 -9.6258 -9.5774 -9.5774 -9.5649 -9.5649 -5.4607 -5.4607 -3.8240 -3.8240 -1.7571 -1.7571 -1.4784 -1.4784 -1.2784 -1.2784 -1.1498 -1.1498 -0.7928 -0.7928 0.0071 0.0071 0.1775 0.1775 0.3562 0.3562 0.6219 0.6219 0.7988 0.7988 0.9589 0.9589 1.1601 1.1601 1.3201 1.3201 1.5824 1.5824 1.7761 1.7761 1.8309 1.8309 2.0509 2.0509 4.8766 4.8766 5.2233 5.2233 5.6424 5.6424 5.9845 5.9845 6.8558 6.8558 k = 0.5000-0.2647-0.5165 ( 10878 PWs) bands (ev): -10.5796 -10.5796 -10.1939 -10.1939 -9.7427 -9.7427 -9.6339 -9.6339 -9.5802 -9.5802 -9.5627 -9.5627 -5.4564 -5.4564 -3.8214 -3.8214 -1.7507 -1.7507 -1.4828 -1.4828 -1.2768 -1.2768 -1.1443 -1.1443 -0.8053 -0.8053 -0.0035 -0.0035 0.1732 0.1732 0.3564 0.3564 0.6347 0.6347 0.7971 0.7971 0.9550 0.9550 1.1605 1.1605 1.3071 1.3071 1.5861 1.5861 1.7806 1.7806 1.8441 1.8441 2.0582 2.0582 4.8598 4.8598 5.2090 5.2090 5.6544 5.6544 5.9726 5.9726 6.8474 6.8474 k = 0.5000-0.2504-0.5381 ( 10880 PWs) bands (ev): -10.5762 -10.5762 -10.1948 -10.1948 -9.7392 -9.7392 -9.6421 -9.6421 -9.5829 -9.5829 -9.5602 -9.5602 -5.4522 -5.4522 -3.8194 -3.8194 -1.7441 -1.7441 -1.4864 -1.4864 -1.2772 -1.2772 -1.1377 -1.1377 -0.8164 -0.8164 -0.0133 -0.0133 0.1688 0.1688 0.3574 0.3574 0.6453 0.6453 0.7956 0.7956 0.9514 0.9514 1.1589 1.1589 1.2959 1.2959 1.5885 1.5885 1.7840 1.7840 1.8569 1.8569 2.0649 2.0649 4.8461 4.8461 5.1983 5.1983 5.6650 5.6650 5.9625 5.9625 6.8357 6.8357 k = 0.5000-0.2361-0.5598 ( 10876 PWs) bands (ev): -10.5728 -10.5728 -10.1962 -10.1962 -9.7356 -9.7356 -9.6501 -9.6501 -9.5853 -9.5853 -9.5573 -9.5573 -5.4483 -5.4483 -3.8180 -3.8180 -1.7376 -1.7376 -1.4890 -1.4890 -1.2792 -1.2792 -1.1311 -1.1311 -0.8254 -0.8254 -0.0218 -0.0218 0.1646 0.1646 0.3590 0.3590 0.6533 0.6533 0.7944 0.7944 0.9484 0.9484 1.1555 1.1555 1.2867 1.2867 1.5894 1.5894 1.7860 1.7860 1.8689 1.8689 2.0705 2.0705 4.8361 4.8361 5.1915 5.1915 5.6741 5.6741 5.9546 5.9546 6.8213 6.8213 k = 0.5000-0.2218-0.5814 ( 10874 PWs) bands (ev): -10.5696 -10.5696 -10.1982 -10.1982 -9.7316 -9.7316 -9.6578 -9.6578 -9.5873 -9.5873 -9.5543 -9.5543 -5.4447 -5.4447 -3.8173 -3.8173 -1.7316 -1.7316 -1.4905 -1.4905 -1.2825 -1.2825 -1.1255 -1.1255 -0.8318 -0.8318 -0.0286 -0.0286 0.1608 0.1608 0.3611 0.3611 0.6588 0.6588 0.7930 0.7930 0.9461 0.9461 1.1504 1.1504 1.2794 1.2794 1.5891 1.5891 1.7865 1.7865 1.8800 1.8800 2.0749 2.0749 4.8301 4.8301 5.1887 5.1887 5.6820 5.6820 5.9492 5.9492 6.8055 6.8055 k = 0.5000-0.2075-0.6030 ( 10868 PWs) bands (ev): -10.5668 -10.5668 -10.2008 -10.2008 -9.7274 -9.7274 -9.6651 -9.6651 -9.5887 -9.5887 -9.5511 -9.5511 -5.4415 -5.4415 -3.8175 -3.8175 -1.7262 -1.7262 -1.4905 -1.4905 -1.2868 -1.2868 -1.1216 -1.1216 -0.8353 -0.8353 -0.0334 -0.0334 0.1574 0.1574 0.3636 0.3636 0.6617 0.6617 0.7909 0.7909 0.9449 0.9449 1.1440 1.1440 1.2738 1.2738 1.5875 1.5875 1.7854 1.7854 1.8900 1.8900 2.0778 2.0778 4.8285 4.8285 5.1900 5.1900 5.6887 5.6887 5.9465 5.9465 6.7896 6.7896 k = 0.5000-0.1932-0.6246 ( 10866 PWs) bands (ev): -10.5642 -10.5642 -10.2043 -10.2043 -9.7229 -9.7229 -9.6718 -9.6718 -9.5895 -9.5895 -9.5478 -9.5478 -5.4388 -5.4388 -3.8186 -3.8186 -1.7218 -1.7218 -1.4891 -1.4891 -1.2917 -1.2917 -1.1200 -1.1200 -0.8361 -0.8361 -0.0355 -0.0355 0.1544 0.1544 0.3667 0.3667 0.6623 0.6623 0.7877 0.7877 0.9450 0.9450 1.1370 1.1370 1.2697 1.2697 1.5849 1.5849 1.7825 1.7825 1.8987 1.8987 2.0789 2.0789 4.8314 4.8314 5.1954 5.1954 5.6947 5.6947 5.9465 5.9465 6.7753 6.7753 k = 0.5000-0.1789-0.6462 ( 10878 PWs) bands (ev): -10.5622 -10.5622 -10.2085 -10.2085 -9.7181 -9.7181 -9.6778 -9.6778 -9.5896 -9.5896 -9.5444 -9.5444 -5.4368 -5.4368 -3.8206 -3.8206 -1.7185 -1.7185 -1.4863 -1.4863 -1.2972 -1.2972 -1.1208 -1.1208 -0.8343 -0.8343 -0.0346 -0.0346 0.1518 0.1518 0.3704 0.3704 0.6609 0.6609 0.7829 0.7829 0.9463 0.9463 1.1298 1.1298 1.2670 1.2670 1.5814 1.5814 1.7778 1.7778 1.9060 1.9060 2.0782 2.0782 4.8386 4.8386 5.2048 5.2048 5.7004 5.7004 5.9491 5.9491 6.7640 6.7640 k = 0.5000-0.1647-0.6678 ( 10886 PWs) bands (ev): -10.5607 -10.5607 -10.2136 -10.2136 -9.7129 -9.7129 -9.6829 -9.6829 -9.5889 -9.5889 -9.5408 -9.5408 -5.4354 -5.4354 -3.8236 -3.8236 -1.7164 -1.7164 -1.4822 -1.4822 -1.3030 -1.3030 -1.1237 -1.1237 -0.8308 -0.8308 -0.0304 -0.0304 0.1495 0.1495 0.3750 0.3750 0.6577 0.6577 0.7768 0.7768 0.9486 0.9486 1.1229 1.1229 1.2653 1.2653 1.5770 1.5770 1.7712 1.7712 1.9116 1.9116 2.0759 2.0759 4.8502 4.8502 5.2180 5.2180 5.7063 5.7063 5.9540 5.9540 6.7565 6.7565 k = 0.5000-0.1504-0.6895 ( 10876 PWs) bands (ev): -10.5597 -10.5597 -10.2195 -10.2195 -9.7075 -9.7075 -9.6869 -9.6869 -9.5876 -9.5876 -9.5373 -9.5373 -5.4347 -5.4347 -3.8275 -3.8275 -1.7154 -1.7154 -1.4772 -1.4772 -1.3091 -1.3091 -1.1285 -1.1285 -0.8263 -0.8263 -0.0226 -0.0226 0.1475 0.1475 0.3807 0.3807 0.6530 0.6530 0.7697 0.7697 0.9512 0.9512 1.1169 1.1169 1.2648 1.2648 1.5720 1.5720 1.7629 1.7629 1.9153 1.9153 2.0721 2.0721 4.8657 4.8657 5.2346 5.2346 5.7126 5.7126 5.9608 5.9608 6.7536 6.7536 k = 0.5000-0.1361-0.7111 ( 10868 PWs) bands (ev): -10.5595 -10.5595 -10.2262 -10.2262 -9.7018 -9.7018 -9.6897 -9.6897 -9.5855 -9.5855 -9.5336 -9.5336 -5.4347 -5.4347 -3.8323 -3.8323 -1.7155 -1.7155 -1.4716 -1.4716 -1.3155 -1.3155 -1.1347 -1.1347 -0.8217 -0.8217 -0.0115 -0.0115 0.1459 0.1459 0.3879 0.3879 0.6471 0.6471 0.7625 0.7625 0.9533 0.9533 1.1120 1.1120 1.2655 1.2655 1.5663 1.5663 1.7530 1.7530 1.9166 1.9166 2.0673 2.0673 4.8849 4.8849 5.2543 5.2543 5.7199 5.7199 5.9692 5.9692 6.7556 6.7556 k = 0.7816-0.0052-0.4040 ( 10868 PWs) bands (ev): -10.5595 -10.5595 -10.2262 -10.2262 -9.7018 -9.7018 -9.6897 -9.6897 -9.5855 -9.5855 -9.5336 -9.5336 -5.4347 -5.4347 -3.8323 -3.8323 -1.7155 -1.7155 -1.4716 -1.4716 -1.3154 -1.3154 -1.1347 -1.1347 -0.8217 -0.8217 -0.0115 -0.0115 0.1459 0.1459 0.3879 0.3879 0.6471 0.6471 0.7625 0.7625 0.9533 0.9533 1.1120 1.1120 1.2655 1.2655 1.5663 1.5663 1.7530 1.7530 1.9166 1.9166 2.0673 2.0673 4.8849 4.8849 5.2543 5.2543 5.7199 5.7199 5.9692 5.9692 6.7556 6.7556 k = 0.7704 0.0043-0.3817 ( 10856 PWs) bands (ev): -10.5600 -10.5600 -10.2339 -10.2339 -9.6964 -9.6964 -9.6905 -9.6905 -9.5827 -9.5827 -9.5299 -9.5299 -5.4355 -5.4355 -3.8382 -3.8382 -1.7164 -1.7164 -1.4659 -1.4659 -1.3221 -1.3221 -1.1423 -1.1423 -0.8175 -0.8175 0.0031 0.0031 0.1449 0.1449 0.3970 0.3970 0.6402 0.6402 0.7557 0.7557 0.9541 0.9541 1.1085 1.1085 1.2674 1.2674 1.5598 1.5598 1.7416 1.7416 1.9149 1.9149 2.0619 2.0619 4.9080 4.9080 5.2775 5.2775 5.7286 5.7286 5.9793 5.9793 6.7627 6.7627 k = 0.7591 0.0138-0.3594 ( 10872 PWs) bands (ev): -10.5612 -10.5612 -10.2423 -10.2423 -9.6943 -9.6943 -9.6865 -9.6865 -9.5792 -9.5792 -9.5261 -9.5261 -5.4372 -5.4372 -3.8449 -3.8449 -1.7180 -1.7180 -1.4606 -1.4606 -1.3287 -1.3287 -1.1509 -1.1509 -0.8146 -0.8146 0.0197 0.0197 0.1453 0.1453 0.4081 0.4081 0.6330 0.6330 0.7501 0.7501 0.9530 0.9530 1.1066 1.1066 1.2706 1.2706 1.5524 1.5524 1.7297 1.7297 1.9097 1.9097 2.0567 2.0567 4.9338 4.9338 5.3030 5.3030 5.7385 5.7385 5.9903 5.9903 6.7747 6.7747 k = 0.7478 0.0233-0.3371 ( 10880 PWs) bands (ev): -10.5632 -10.5632 -10.2515 -10.2515 -9.6931 -9.6931 -9.6797 -9.6797 -9.5751 -9.5751 -9.5224 -9.5224 -5.4396 -5.4396 -3.8524 -3.8524 -1.7200 -1.7200 -1.4563 -1.4563 -1.3352 -1.3352 -1.1603 -1.1603 -0.8134 -0.8134 0.0368 0.0368 0.1480 0.1480 0.4212 0.4212 0.6261 0.6261 0.7465 0.7465 0.9499 0.9499 1.1059 1.1059 1.2752 1.2752 1.5440 1.5440 1.7181 1.7181 1.9007 1.9007 2.0523 2.0523 4.9617 4.9617 5.3304 5.3304 5.7498 5.7498 6.0020 6.0020 6.7912 6.7912 k = 0.7366 0.0328-0.3148 ( 10888 PWs) bands (ev): -10.5660 -10.5660 -10.2612 -10.2612 -9.6910 -9.6910 -9.6722 -9.6722 -9.5706 -9.5706 -9.5187 -9.5187 -5.4429 -5.4429 -3.8604 -3.8604 -1.7223 -1.7223 -1.4533 -1.4533 -1.3411 -1.3411 -1.1705 -1.1705 -0.8143 -0.8143 0.0523 0.0523 0.1546 0.1546 0.4359 0.4359 0.6205 0.6205 0.7450 0.7450 0.9450 0.9450 1.1057 1.1057 1.2813 1.2813 1.5345 1.5345 1.7076 1.7076 1.8882 1.8882 2.0488 2.0488 4.9908 4.9908 5.3591 5.3591 5.7622 5.7622 6.0140 6.0140 6.8116 6.8116 k = 0.7253 0.0423-0.2925 ( 10890 PWs) bands (ev): -10.5695 -10.5695 -10.2713 -10.2713 -9.6878 -9.6878 -9.6644 -9.6644 -9.5656 -9.5656 -9.5151 -9.5151 -5.4468 -5.4468 -3.8690 -3.8690 -1.7247 -1.7247 -1.4519 -1.4519 -1.3465 -1.3465 -1.1816 -1.1816 -0.8174 -0.8174 0.0643 0.0643 0.1660 0.1660 0.4518 0.4518 0.6174 0.6174 0.7459 0.7459 0.9389 0.9389 1.1054 1.1054 1.2885 1.2885 1.5238 1.5238 1.6992 1.6992 1.8726 1.8726 2.0463 2.0463 5.0205 5.0205 5.3886 5.3886 5.7756 5.7756 6.0258 6.0258 6.8352 6.8352 k = 0.7140 0.0518-0.2702 ( 10896 PWs) bands (ev): -10.5737 -10.5737 -10.2818 -10.2818 -9.6833 -9.6833 -9.6562 -9.6562 -9.5603 -9.5603 -9.5116 -9.5116 -5.4515 -5.4515 -3.8780 -3.8780 -1.7271 -1.7271 -1.4522 -1.4522 -1.3510 -1.3510 -1.1934 -1.1934 -0.8230 -0.8230 0.0725 0.0725 0.1820 0.1820 0.4679 0.4679 0.6176 0.6176 0.7493 0.7493 0.9324 0.9324 1.1041 1.1041 1.2967 1.2967 1.5122 1.5122 1.6936 1.6936 1.8549 1.8549 2.0444 2.0444 5.0498 5.0498 5.4183 5.4183 5.7896 5.7896 6.0372 6.0372 6.8611 6.8611 k = 0.7028 0.0613-0.2479 ( 10894 PWs) bands (ev): -10.5785 -10.5785 -10.2926 -10.2926 -9.6778 -9.6778 -9.6479 -9.6479 -9.5546 -9.5546 -9.5082 -9.5082 -5.4568 -5.4568 -3.8872 -3.8872 -1.7294 -1.7294 -1.4542 -1.4542 -1.3548 -1.3548 -1.2059 -1.2059 -0.8311 -0.8311 0.0775 0.0775 0.2009 0.2009 0.4831 0.4831 0.6220 0.6220 0.7552 0.7552 0.9264 0.9264 1.1018 1.1018 1.3052 1.3052 1.5002 1.5002 1.6911 1.6911 1.8362 1.8362 2.0430 2.0430 5.0781 5.0781 5.4478 5.4478 5.8040 5.8040 6.0476 6.0476 6.8886 6.8886 k = 0.6915 0.0708-0.2256 ( 10898 PWs) bands (ev): -10.5837 -10.5837 -10.3035 -10.3035 -9.6713 -9.6713 -9.6396 -9.6396 -9.5488 -9.5488 -9.5050 -9.5050 -5.4626 -5.4626 -3.8966 -3.8966 -1.7317 -1.7317 -1.4576 -1.4576 -1.3580 -1.3580 -1.2189 -1.2189 -0.8414 -0.8414 0.0803 0.0803 0.2212 0.2212 0.4964 0.4964 0.6306 0.6306 0.7632 0.7632 0.9219 0.9219 1.0982 1.0982 1.3131 1.3131 1.4887 1.4887 1.6918 1.6918 1.8179 1.8179 2.0416 2.0416 5.1044 5.1044 5.4764 5.4764 5.8183 5.8183 6.0567 6.0567 6.9168 6.9168 k = 0.6802 0.0803-0.2033 ( 10900 PWs) bands (ev): -10.5894 -10.5894 -10.3143 -10.3143 -9.6639 -9.6639 -9.6312 -9.6312 -9.5429 -9.5429 -9.5019 -9.5019 -5.4689 -5.4689 -3.9061 -3.9061 -1.7339 -1.7339 -1.4622 -1.4622 -1.3607 -1.3607 -1.2322 -1.2322 -0.8539 -0.8539 0.0816 0.0816 0.2416 0.2416 0.5077 0.5077 0.6423 0.6423 0.7725 0.7725 0.9200 0.9200 1.0941 1.0941 1.3193 1.3193 1.4788 1.4788 1.6956 1.6956 1.8013 1.8013 2.0402 2.0402 5.1281 5.1281 5.5038 5.5038 5.8323 5.8323 6.0639 6.0639 6.9452 6.9452 k = 0.6690 0.0898-0.1809 ( 10896 PWs) bands (ev): -10.5954 -10.5954 -10.3251 -10.3251 -9.6557 -9.6557 -9.6229 -9.6229 -9.5369 -9.5369 -9.4990 -9.4990 -5.4756 -5.4756 -3.9154 -3.9154 -1.7361 -1.7361 -1.4675 -1.4675 -1.3632 -1.3632 -1.2457 -1.2457 -0.8681 -0.8681 0.0817 0.0817 0.2614 0.2614 0.5173 0.5173 0.6554 0.6554 0.7817 0.7817 0.9216 0.9216 1.0904 1.0904 1.3228 1.3228 1.4712 1.4712 1.7016 1.7016 1.7884 1.7884 2.0387 2.0387 5.1485 5.1485 5.5294 5.5294 5.8454 5.8454 6.0689 6.0689 6.9733 6.9733 k = 0.6577 0.0993-0.1586 ( 10888 PWs) bands (ev): -10.6016 -10.6016 -10.3356 -10.3356 -9.6470 -9.6470 -9.6148 -9.6148 -9.5309 -9.5309 -9.4963 -9.4963 -5.4826 -5.4826 -3.9246 -3.9246 -1.7384 -1.7384 -1.4732 -1.4732 -1.3657 -1.3657 -1.2592 -1.2592 -0.8835 -0.8835 0.0807 0.0807 0.2804 0.2804 0.5258 0.5258 0.6684 0.6684 0.7892 0.7892 0.9268 0.9268 1.0888 1.0888 1.3225 1.3225 1.4664 1.4664 1.7088 1.7088 1.7815 1.7815 2.0369 2.0369 5.1651 5.1651 5.5528 5.5528 5.8574 5.8574 6.0712 6.0712 7.0007 7.0007 k = 0.6464 0.1088-0.1363 ( 10890 PWs) bands (ev): -10.6079 -10.6079 -10.3459 -10.3459 -9.6378 -9.6378 -9.6069 -9.6069 -9.5250 -9.5250 -9.4938 -9.4938 -5.4897 -5.4897 -3.9335 -3.9335 -1.7407 -1.7407 -1.4788 -1.4788 -1.3686 -1.3686 -1.2723 -1.2723 -0.8996 -0.8996 0.0785 0.0785 0.2981 0.2981 0.5336 0.5336 0.6801 0.6801 0.7946 0.7946 0.9337 0.9337 1.0911 1.0911 1.3184 1.3184 1.4640 1.4640 1.7161 1.7161 1.7826 1.7826 2.0351 2.0351 5.1774 5.1774 5.5736 5.5736 5.8680 5.8680 6.0708 6.0708 7.0272 7.0272 k = 0.6352 0.1183-0.1140 ( 10892 PWs) bands (ev): -10.6142 -10.6142 -10.3557 -10.3557 -9.6283 -9.6283 -9.5994 -9.5994 -9.5192 -9.5192 -9.4915 -9.4915 -5.4969 -5.4969 -3.9420 -3.9420 -1.7433 -1.7433 -1.4842 -1.4842 -1.3720 -1.3720 -1.2849 -1.2849 -0.9158 -0.9158 0.0753 0.0753 0.3140 0.3140 0.5409 0.5409 0.6903 0.6903 0.7982 0.7982 0.9396 0.9396 1.0985 1.0985 1.3113 1.3113 1.4629 1.4629 1.7235 1.7235 1.7926 1.7926 2.0330 2.0330 5.1851 5.1851 5.5915 5.5915 5.8770 5.8770 6.0676 6.0676 7.0526 7.0526 k = 0.6239 0.1278-0.0917 ( 10886 PWs) bands (ev): -10.6203 -10.6203 -10.3650 -10.3650 -9.6187 -9.6187 -9.5922 -9.5922 -9.5137 -9.5137 -9.4895 -9.4895 -5.5040 -5.5040 -3.9501 -3.9501 -1.7461 -1.7461 -1.4890 -1.4890 -1.3762 -1.3762 -1.2967 -1.2967 -0.9315 -0.9315 0.0712 0.0712 0.3278 0.3278 0.5479 0.5479 0.6992 0.6992 0.8011 0.8011 0.9425 0.9425 1.1103 1.1103 1.3029 1.3029 1.4616 1.4616 1.7331 1.7331 1.8098 1.8098 2.0310 2.0310 5.1882 5.1882 5.6062 5.6062 5.8844 5.8844 6.0619 6.0619 7.0769 7.0769 k = 0.6126 0.1373-0.0694 ( 10890 PWs) bands (ev): -10.6263 -10.6263 -10.3738 -10.3738 -9.6092 -9.6092 -9.5855 -9.5855 -9.5085 -9.5085 -9.4877 -9.4877 -5.5109 -5.5109 -3.9576 -3.9576 -1.7491 -1.7491 -1.4930 -1.4930 -1.3813 -1.3813 -1.3075 -1.3075 -0.9463 -0.9463 0.0665 0.0665 0.3387 0.3387 0.5548 0.5548 0.7073 0.7073 0.8042 0.8042 0.9424 0.9424 1.1229 1.1229 1.2956 1.2956 1.4592 1.4592 1.7465 1.7465 1.8318 1.8318 2.0289 2.0289 5.1869 5.1869 5.6175 5.6175 5.8900 5.8900 6.0541 6.0541 7.0999 7.0999 k = 0.6014 0.1468-0.0471 ( 10882 PWs) bands (ev): -10.6319 -10.6319 -10.3819 -10.3819 -9.5999 -9.5999 -9.5792 -9.5792 -9.5037 -9.5037 -9.4862 -9.4862 -5.5176 -5.5176 -3.9646 -3.9646 -1.7524 -1.7524 -1.4961 -1.4961 -1.3876 -1.3876 -1.3171 -1.3171 -0.9597 -0.9597 0.0612 0.0612 0.3462 0.3462 0.5615 0.5615 0.7152 0.7152 0.8080 0.8080 0.9404 0.9404 1.1317 1.1317 1.2922 1.2922 1.4553 1.4553 1.7645 1.7645 1.8570 1.8570 2.0269 2.0269 5.1814 5.1814 5.6251 5.6251 5.8939 5.8939 6.0450 6.0450 7.1214 7.1214 k = 0.5901 0.1563-0.0248 ( 10888 PWs) bands (ev): -10.6372 -10.6372 -10.3894 -10.3894 -9.5909 -9.5909 -9.5735 -9.5735 -9.4992 -9.4992 -9.4850 -9.4850 -5.5239 -5.5239 -3.9710 -3.9710 -1.7558 -1.7558 -1.4982 -1.4982 -1.3950 -1.3950 -1.3252 -1.3252 -0.9717 -0.9717 0.0558 0.0558 0.3504 0.3504 0.5680 0.5680 0.7234 0.7234 0.8131 0.8131 0.9376 0.9376 1.1327 1.1327 1.2950 1.2950 1.4500 1.4500 1.7863 1.7863 1.8839 1.8839 2.0249 2.0249 5.1723 5.1723 5.6292 5.6292 5.8962 5.8962 6.0356 6.0356 7.1410 7.1410 k = 0.5789 0.1658-0.0025 ( 10898 PWs) bands (ev): -10.6420 -10.6420 -10.3961 -10.3961 -9.5825 -9.5825 -9.5683 -9.5683 -9.4952 -9.4952 -9.4840 -9.4840 -5.5297 -5.5297 -3.9767 -3.9767 -1.7593 -1.7593 -1.4992 -1.4992 -1.4034 -1.4034 -1.3318 -1.3318 -0.9820 -0.9820 0.0503 0.0503 0.3513 0.3513 0.5743 0.5743 0.7318 0.7318 0.8201 0.8201 0.9345 0.9345 1.1251 1.1251 1.3038 1.3038 1.4438 1.4438 1.8108 1.8108 1.9113 1.9113 2.0229 2.0229 5.1605 5.1605 5.6298 5.6298 5.8973 5.8973 6.0264 6.0264 7.1585 7.1585 k = 0.5676 0.1753 0.0198 ( 10892 PWs) bands (ev): -10.6463 -10.6463 -10.4019 -10.4019 -9.5748 -9.5748 -9.5637 -9.5637 -9.4917 -9.4917 -9.4832 -9.4832 -5.5350 -5.5350 -3.9817 -3.9817 -1.7628 -1.7628 -1.4993 -1.4993 -1.4124 -1.4124 -1.3372 -1.3372 -0.9905 -0.9905 0.0451 0.0451 0.3496 0.3496 0.5800 0.5800 0.7401 0.7401 0.8298 0.8298 0.9315 0.9315 1.1104 1.1104 1.3161 1.3161 1.4370 1.4370 1.8366 1.8366 1.9379 1.9379 2.0210 2.0210 5.1470 5.1470 5.6275 5.6275 5.8974 5.8974 6.0183 6.0183 7.1735 7.1735 k = 0.5563 0.1848 0.0421 ( 10898 PWs) bands (ev): -10.6501 -10.6501 -10.4070 -10.4070 -9.5679 -9.5679 -9.5598 -9.5598 -9.4887 -9.4887 -9.4826 -9.4826 -5.5396 -5.5396 -3.9860 -3.9860 -1.7660 -1.7660 -1.4983 -1.4983 -1.4215 -1.4215 -1.3415 -1.3415 -0.9974 -0.9974 0.0403 0.0403 0.3462 0.3462 0.5849 0.5849 0.7477 0.7477 0.8425 0.8425 0.9288 0.9288 1.0912 1.0912 1.3295 1.3295 1.4302 1.4302 1.8622 1.8622 1.9627 1.9627 2.0190 2.0190 5.1328 5.1328 5.6230 5.6230 5.8969 5.8969 6.0115 6.0115 7.1860 7.1860 k = 0.5451 0.1943 0.0644 ( 10910 PWs) bands (ev): -10.6532 -10.6532 -10.4112 -10.4112 -9.5620 -9.5620 -9.5566 -9.5566 -9.4863 -9.4863 -9.4823 -9.4823 -5.5434 -5.5434 -3.9895 -3.9895 -1.7690 -1.7690 -1.4966 -1.4966 -1.4304 -1.4304 -1.3448 -1.3448 -1.0027 -1.0027 0.0361 0.0361 0.3420 0.3420 0.5889 0.5889 0.7544 0.7544 0.8578 0.8578 0.9268 0.9268 1.0692 1.0692 1.3422 1.3422 1.4236 1.4236 1.8862 1.8862 1.9843 1.9843 2.0171 2.0171 5.1192 5.1192 5.6171 5.6171 5.8962 5.8962 6.0062 6.0062 7.1958 7.1958 k = 0.5338 0.2038 0.0867 ( 10916 PWs) bands (ev): -10.6557 -10.6557 -10.4145 -10.4145 -9.5572 -9.5572 -9.5540 -9.5540 -9.4844 -9.4844 -9.4821 -9.4821 -5.5465 -5.5465 -3.9922 -3.9922 -1.7714 -1.7714 -1.4943 -1.4943 -1.4385 -1.4385 -1.3472 -1.3472 -1.0067 -1.0067 0.0326 0.0326 0.3378 0.3378 0.5918 0.5918 0.7600 0.7600 0.8744 0.8744 0.9263 0.9263 1.0459 1.0459 1.3532 1.3532 1.4177 1.4177 1.9072 1.9072 2.0005 2.0005 2.0167 2.0167 5.1073 5.1073 5.6110 5.6110 5.8954 5.8954 6.0023 6.0023 7.2031 7.2031 k = 0.5225 0.2133 0.1090 ( 10942 PWs) bands (ev): -10.6575 -10.6575 -10.4168 -10.4168 -9.5537 -9.5537 -9.5521 -9.5521 -9.4830 -9.4830 -9.4819 -9.4819 -5.5488 -5.5488 -3.9942 -3.9942 -1.7732 -1.7732 -1.4919 -1.4919 -1.4453 -1.4453 -1.3490 -1.3490 -1.0094 -1.0094 0.0300 0.0300 0.3344 0.3344 0.5937 0.5937 0.7643 0.7643 0.8892 0.8892 0.9294 0.9294 1.0227 1.0227 1.3619 1.3619 1.4127 1.4127 1.9239 1.9239 2.0060 2.0060 2.0221 2.0221 5.0980 5.0980 5.6058 5.6058 5.8948 5.8948 5.9996 5.9996 7.2081 7.2081 k = 0.5113 0.2229 0.1313 ( 10960 PWs) bands (ev): -10.6586 -10.6586 -10.4183 -10.4183 -9.5516 -9.5516 -9.5509 -9.5509 -9.4823 -9.4823 -9.4818 -9.4818 -5.5501 -5.5501 -3.9954 -3.9954 -1.7744 -1.7744 -1.4898 -1.4898 -1.4500 -1.4500 -1.3500 -1.3500 -1.0109 -1.0109 0.0284 0.0284 0.3321 0.3321 0.5948 0.5948 0.7671 0.7671 0.8978 0.8978 0.9382 0.9382 1.0019 1.0019 1.3676 1.3676 1.4092 1.4092 1.9350 1.9350 2.0053 2.0053 2.0289 2.0289 5.0920 5.0920 5.6023 5.6023 5.8944 5.8944 5.9981 5.9981 7.2111 7.2111 k = 0.5000 0.2324 0.1536 ( 10950 PWs) bands (ev): -10.6589 -10.6589 -10.4187 -10.4187 -9.5510 -9.5510 -9.5504 -9.5504 -9.4821 -9.4821 -9.4817 -9.4817 -5.5506 -5.5506 -3.9958 -3.9958 -1.7748 -1.7748 -1.4890 -1.4890 -1.4517 -1.4517 -1.3503 -1.3503 -1.0114 -1.0114 0.0279 0.0279 0.3313 0.3313 0.5951 0.5951 0.7680 0.7680 0.9002 0.9002 0.9451 0.9451 0.9915 0.9915 1.3697 1.3697 1.4079 1.4079 1.9390 1.9390 2.0046 2.0046 2.0315 2.0315 5.0900 5.0900 5.6010 5.6010 5.8943 5.8943 5.9976 5.9976 7.2120 7.2120 k = 0.5000 0.2324 0.1536 ( 10950 PWs) bands (ev): -10.6589 -10.6589 -10.4187 -10.4187 -9.5510 -9.5510 -9.5504 -9.5504 -9.4821 -9.4821 -9.4817 -9.4817 -5.5506 -5.5506 -3.9958 -3.9958 -1.7748 -1.7748 -1.4890 -1.4890 -1.4517 -1.4517 -1.3503 -1.3503 -1.0114 -1.0114 0.0279 0.0279 0.3313 0.3313 0.5951 0.5951 0.7680 0.7680 0.9002 0.9002 0.9451 0.9451 0.9915 0.9915 1.3697 1.3697 1.4079 1.4079 1.9390 1.9390 2.0046 2.0046 2.0315 2.0315 5.0900 5.0900 5.6010 5.6010 5.8943 5.8943 5.9976 5.9976 7.2120 7.2120 k = 0.4773 0.2218 0.1466 ( 10953 PWs) bands (ev): -10.6599 -10.6599 -10.4176 -10.4176 -9.5510 -9.5510 -9.5504 -9.5504 -9.4821 -9.4821 -9.4818 -9.4818 -5.5512 -5.5512 -3.9955 -3.9955 -1.7757 -1.7757 -1.4899 -1.4899 -1.4509 -1.4509 -1.3508 -1.3508 -1.0107 -1.0107 0.0301 0.0301 0.3314 0.3314 0.5945 0.5945 0.7671 0.7671 0.8989 0.8989 0.9466 0.9466 0.9931 0.9931 1.3663 1.3663 1.4121 1.4121 1.9391 1.9391 2.0043 2.0043 2.0316 2.0316 5.0895 5.0895 5.6012 5.6012 5.8922 5.8922 5.9951 5.9951 7.2124 7.2124 k = 0.4545 0.2112 0.1396 ( 10947 PWs) bands (ev): -10.6626 -10.6626 -10.4144 -10.4144 -9.5509 -9.5509 -9.5503 -9.5503 -9.4822 -9.4822 -9.4818 -9.4818 -5.5530 -5.5530 -3.9947 -3.9947 -1.7785 -1.7785 -1.4926 -1.4926 -1.4487 -1.4487 -1.3523 -1.3523 -1.0084 -1.0084 0.0366 0.0366 0.3316 0.3316 0.5925 0.5925 0.7647 0.7647 0.8954 0.8954 0.9510 0.9510 0.9974 0.9974 1.3588 1.3588 1.4220 1.4220 1.9397 1.9397 2.0032 2.0032 2.0320 2.0320 5.0879 5.0879 5.6016 5.6016 5.8858 5.8858 5.9878 5.9878 7.2135 7.2135 k = 0.4318 0.2007 0.1326 ( 10953 PWs) bands (ev): -10.6670 -10.6670 -10.4093 -10.4093 -9.5508 -9.5508 -9.5502 -9.5502 -9.4823 -9.4823 -9.4820 -9.4820 -5.5561 -5.5561 -3.9934 -3.9934 -1.7829 -1.7829 -1.4970 -1.4970 -1.4452 -1.4452 -1.3548 -1.3548 -1.0048 -1.0048 0.0473 0.0473 0.3320 0.3320 0.5894 0.5894 0.7611 0.7611 0.8904 0.8904 0.9579 0.9579 1.0038 1.0038 1.3503 1.3503 1.4345 1.4345 1.9406 1.9406 2.0013 2.0013 2.0325 2.0325 5.0853 5.0853 5.6022 5.6022 5.8754 5.8754 5.9761 5.9761 7.2151 7.2151 k = 0.4091 0.1901 0.1256 ( 10938 PWs) bands (ev): -10.6727 -10.6727 -10.4026 -10.4026 -9.5506 -9.5506 -9.5500 -9.5500 -9.4825 -9.4825 -9.4821 -9.4821 -5.5603 -5.5603 -3.9916 -3.9916 -1.7888 -1.7888 -1.5029 -1.5029 -1.4405 -1.4405 -1.3583 -1.3583 -1.0000 -1.0000 0.0621 0.0621 0.3327 0.3327 0.5853 0.5853 0.7569 0.7569 0.8844 0.8844 0.9666 0.9666 1.0114 1.0114 1.3420 1.3420 1.4482 1.4482 1.9419 1.9419 1.9985 1.9985 2.0331 2.0331 5.0819 5.0819 5.6030 5.6030 5.8615 5.8615 5.9603 5.9603 7.2170 7.2170 k = 0.3864 0.1795 0.1187 ( 10941 PWs) bands (ev): -10.6794 -10.6794 -10.3946 -10.3946 -9.5503 -9.5503 -9.5497 -9.5497 -9.4827 -9.4827 -9.4824 -9.4824 -5.5655 -5.5655 -3.9894 -3.9894 -1.7958 -1.7958 -1.5100 -1.5100 -1.4350 -1.4350 -1.3626 -1.3626 -0.9943 -0.9943 0.0807 0.0807 0.3338 0.3338 0.5802 0.5802 0.7527 0.7527 0.8781 0.8781 0.9766 0.9766 1.0195 1.0195 1.3346 1.3346 1.4626 1.4626 1.9436 1.9436 1.9948 1.9948 2.0339 2.0339 5.0778 5.0778 5.6039 5.6039 5.8446 5.8446 5.9410 5.9410 7.2191 7.2191 k = 0.3636 0.1690 0.1117 ( 10938 PWs) bands (ev): -10.6870 -10.6870 -10.3855 -10.3855 -9.5500 -9.5500 -9.5494 -9.5494 -9.4830 -9.4830 -9.4826 -9.4826 -5.5716 -5.5716 -3.9867 -3.9867 -1.8038 -1.8038 -1.5181 -1.5181 -1.4289 -1.4289 -1.3677 -1.3677 -0.9878 -0.9878 0.1027 0.1027 0.3353 0.3353 0.5745 0.5745 0.7488 0.7488 0.8716 0.8716 0.9872 0.9872 1.0275 1.0275 1.3281 1.3281 1.4773 1.4773 1.9455 1.9455 1.9901 1.9901 2.0348 2.0348 5.0731 5.0731 5.6050 5.6050 5.8252 5.8252 5.9191 5.9191 7.2211 7.2211 k = 0.3409 0.1584 0.1047 ( 10935 PWs) bands (ev): -10.6950 -10.6950 -10.3758 -10.3758 -9.5497 -9.5497 -9.5491 -9.5491 -9.4832 -9.4832 -9.4829 -9.4829 -5.5786 -5.5786 -3.9838 -3.9838 -1.8125 -1.8125 -1.5269 -1.5269 -1.4224 -1.4224 -1.3734 -1.3734 -0.9809 -0.9809 0.1279 0.1279 0.3376 0.3376 0.5682 0.5682 0.7457 0.7457 0.8653 0.8653 0.9981 0.9981 1.0349 1.0349 1.3229 1.3229 1.4920 1.4920 1.9478 1.9478 1.9842 1.9842 2.0357 2.0357 5.0682 5.0682 5.6061 5.6061 5.8040 5.8040 5.8951 5.8951 7.2226 7.2226 k = 0.3182 0.1479 0.0977 ( 10950 PWs) bands (ev): -10.7032 -10.7032 -10.3656 -10.3656 -9.5493 -9.5493 -9.5488 -9.5488 -9.4836 -9.4836 -9.4833 -9.4833 -5.5861 -5.5861 -3.9805 -3.9805 -1.8215 -1.8215 -1.5361 -1.5361 -1.4159 -1.4159 -1.3797 -1.3797 -0.9737 -0.9737 0.1555 0.1555 0.3407 0.3407 0.5617 0.5617 0.7435 0.7435 0.8591 0.8591 1.0088 1.0088 1.0414 1.0414 1.3191 1.3191 1.5066 1.5066 1.9504 1.9504 1.9771 1.9771 2.0364 2.0364 5.0631 5.0631 5.6073 5.6073 5.7817 5.7817 5.8699 5.8699 7.2235 7.2235 k = 0.2955 0.1373 0.0907 ( 10923 PWs) bands (ev): -10.7116 -10.7116 -10.3553 -10.3553 -9.5489 -9.5489 -9.5484 -9.5484 -9.4839 -9.4839 -9.4836 -9.4836 -5.5942 -5.5942 -3.9771 -3.9771 -1.8307 -1.8307 -1.5455 -1.5455 -1.4094 -1.4094 -1.3865 -1.3865 -0.9665 -0.9665 0.1850 0.1850 0.3451 0.3451 0.5550 0.5550 0.7425 0.7425 0.8532 0.8532 1.0191 1.0191 1.0466 1.0466 1.3167 1.3167 1.5207 1.5207 1.9532 1.9532 1.9685 1.9685 2.0371 2.0371 5.0582 5.0582 5.6084 5.6084 5.7589 5.7589 5.8441 5.8441 7.2236 7.2236 k = 0.2727 0.1267 0.0838 ( 10887 PWs) bands (ev): -10.7197 -10.7197 -10.3450 -10.3450 -9.5484 -9.5484 -9.5480 -9.5480 -9.4843 -9.4843 -9.4840 -9.4840 -5.6025 -5.6025 -3.9736 -3.9736 -1.8398 -1.8398 -1.5549 -1.5549 -1.4032 -1.4032 -1.3935 -1.3935 -0.9595 -0.9595 0.2154 0.2154 0.3511 0.3511 0.5482 0.5482 0.7426 0.7426 0.8475 0.8475 1.0287 1.0287 1.0503 1.0503 1.3158 1.3158 1.5345 1.5345 1.9563 1.9563 1.9585 1.9585 2.0375 2.0375 5.0537 5.0537 5.6094 5.6094 5.7361 5.7361 5.8185 5.8185 7.2227 7.2227 k = 0.2500 0.1162 0.0768 ( 10875 PWs) bands (ev): -10.7277 -10.7277 -10.3349 -10.3349 -9.5480 -9.5480 -9.5475 -9.5475 -9.4846 -9.4846 -9.4844 -9.4844 -5.6110 -5.6110 -3.9700 -3.9700 -1.8488 -1.8488 -1.5641 -1.5641 -1.4006 -1.4006 -1.3974 -1.3974 -0.9529 -0.9529 0.2454 0.2454 0.3598 0.3598 0.5417 0.5417 0.7440 0.7440 0.8423 0.8423 1.0374 1.0374 1.0522 1.0522 1.3165 1.3165 1.5476 1.5476 1.9470 1.9470 1.9596 1.9596 2.0376 2.0376 5.0496 5.0496 5.6103 5.6103 5.7139 5.7139 5.7935 5.7935 7.2209 7.2209 k = 0.2273 0.1056 0.0698 ( 10853 PWs) bands (ev): -10.7352 -10.7352 -10.3252 -10.3252 -9.5475 -9.5475 -9.5471 -9.5471 -9.4850 -9.4850 -9.4848 -9.4848 -5.6194 -5.6194 -3.9664 -3.9664 -1.8573 -1.8573 -1.5730 -1.5730 -1.4076 -1.4076 -1.3920 -1.3920 -0.9467 -0.9467 0.2732 0.2732 0.3721 0.3721 0.5354 0.5354 0.7465 0.7465 0.8375 0.8375 1.0452 1.0452 1.0523 1.0523 1.3185 1.3185 1.5603 1.5603 1.9340 1.9340 1.9632 1.9632 2.0374 2.0374 5.0462 5.0462 5.6111 5.6111 5.6927 5.6927 5.7698 5.7698 7.2180 7.2180 k = 0.2045 0.0951 0.0628 ( 10853 PWs) bands (ev): -10.7423 -10.7423 -10.3160 -10.3160 -9.5471 -9.5471 -9.5467 -9.5467 -9.4854 -9.4854 -9.4852 -9.4852 -5.6276 -5.6276 -3.9629 -3.9629 -1.8654 -1.8654 -1.5813 -1.5813 -1.4145 -1.4145 -1.3871 -1.3871 -0.9411 -0.9411 0.2966 0.2966 0.3894 0.3894 0.5297 0.5297 0.7499 0.7499 0.8332 0.8332 1.0503 1.0503 1.0519 1.0519 1.3216 1.3216 1.5725 1.5725 1.9195 1.9195 1.9670 1.9670 2.0367 2.0367 5.0436 5.0436 5.6117 5.6117 5.6730 5.6730 5.7476 5.7476 7.2143 7.2143 k = 0.1818 0.0845 0.0558 ( 10859 PWs) bands (ev): -10.7488 -10.7488 -10.3074 -10.3074 -9.5466 -9.5466 -9.5463 -9.5463 -9.4857 -9.4857 -9.4856 -9.4856 -5.6355 -5.6355 -3.9596 -3.9596 -1.8728 -1.8728 -1.5891 -1.5891 -1.4210 -1.4210 -1.3828 -1.3828 -0.9360 -0.9360 0.3147 0.3147 0.4116 0.4116 0.5248 0.5248 0.7541 0.7541 0.8298 0.8298 1.0464 1.0464 1.0575 1.0575 1.3256 1.3256 1.5845 1.5845 1.9037 1.9037 1.9709 1.9709 2.0355 2.0355 5.0418 5.0418 5.6122 5.6122 5.6550 5.6550 5.7273 5.7273 7.2044 7.2044 k = 0.1591 0.0739 0.0489 ( 10856 PWs) bands (ev): -10.7547 -10.7547 -10.2996 -10.2996 -9.5462 -9.5462 -9.5459 -9.5459 -9.4861 -9.4861 -9.4860 -9.4860 -5.6428 -5.6428 -3.9566 -3.9566 -1.8796 -1.8796 -1.5961 -1.5961 -1.4271 -1.4271 -1.3790 -1.3790 -0.9316 -0.9316 0.3284 0.3284 0.4358 0.4358 0.5218 0.5218 0.7588 0.7588 0.8273 0.8273 1.0407 1.0407 1.0621 1.0621 1.3302 1.3302 1.5963 1.5963 1.8867 1.8867 1.9751 1.9751 2.0338 2.0338 5.0407 5.0407 5.6127 5.6127 5.6389 5.6389 5.7090 5.7090 7.1929 7.1929 k = 0.1364 0.0634 0.0419 ( 10856 PWs) bands (ev): -10.7599 -10.7599 -10.2926 -10.2926 -9.5458 -9.5458 -9.5455 -9.5455 -9.4864 -9.4864 -9.4863 -9.4863 -5.6495 -5.6495 -3.9538 -3.9538 -1.8856 -1.8856 -1.6024 -1.6024 -1.4326 -1.4326 -1.3758 -1.3758 -0.9279 -0.9279 0.3392 0.3392 0.4575 0.4575 0.5228 0.5228 0.7637 0.7637 0.8259 0.8259 1.0333 1.0333 1.0658 1.0658 1.3348 1.3348 1.6082 1.6082 1.8689 1.8689 1.9794 1.9794 2.0316 2.0316 5.0402 5.0402 5.6131 5.6131 5.6248 5.6248 5.6930 5.6930 7.1836 7.1836 k = 0.1136 0.0528 0.0349 ( 10874 PWs) bands (ev): -10.7644 -10.7644 -10.2866 -10.2866 -9.5455 -9.5455 -9.5452 -9.5452 -9.4867 -9.4867 -9.4866 -9.4866 -5.6553 -5.6553 -3.9514 -3.9514 -1.8908 -1.8908 -1.6078 -1.6078 -1.4375 -1.4375 -1.3732 -1.3732 -0.9248 -0.9248 0.3482 0.3482 0.4710 0.4710 0.5314 0.5314 0.7686 0.7686 0.8260 0.8260 1.0246 1.0246 1.0685 1.0685 1.3393 1.3393 1.6203 1.6203 1.8507 1.8507 1.9838 1.9838 2.0290 2.0290 5.0403 5.0403 5.6130 5.6130 5.6136 5.6136 5.6793 5.6793 7.1764 7.1764 k = 0.0909 0.0422 0.0279 ( 10874 PWs) bands (ev): -10.7681 -10.7681 -10.2816 -10.2816 -9.5452 -9.5452 -9.5449 -9.5449 -9.4869 -9.4869 -9.4869 -9.4869 -5.6603 -5.6603 -3.9493 -3.9493 -1.8951 -1.8951 -1.6122 -1.6122 -1.4416 -1.4416 -1.3711 -1.3711 -0.9223 -0.9223 0.3558 0.3558 0.4752 0.4752 0.5467 0.5467 0.7731 0.7731 0.8274 0.8274 1.0152 1.0152 1.0705 1.0705 1.3432 1.3432 1.6326 1.6326 1.8327 1.8327 1.9883 1.9883 2.0259 2.0259 5.0407 5.0407 5.6033 5.6033 5.6142 5.6142 5.6679 5.6679 7.1711 7.1711 k = 0.0682 0.0317 0.0209 ( 10856 PWs) bands (ev): -10.7710 -10.7710 -10.2776 -10.2776 -9.5449 -9.5449 -9.5447 -9.5447 -9.4871 -9.4871 -9.4871 -9.4871 -5.6642 -5.6642 -3.9476 -3.9476 -1.8984 -1.8984 -1.6158 -1.6158 -1.4449 -1.4449 -1.3695 -1.3695 -0.9204 -0.9204 0.3621 0.3621 0.4748 0.4748 0.5633 0.5633 0.7770 0.7770 0.8301 0.8301 1.0057 1.0057 1.0719 1.0719 1.3464 1.3464 1.6445 1.6445 1.8157 1.8157 1.9927 1.9927 2.0226 2.0226 5.0412 5.0412 5.5958 5.5958 5.6148 5.6148 5.6587 5.6587 7.1676 7.1676 k = 0.0455 0.0211 0.0140 ( 10859 PWs) bands (ev): -10.7731 -10.7731 -10.2747 -10.2747 -9.5447 -9.5447 -9.5445 -9.5445 -9.4873 -9.4873 -9.4873 -9.4873 -5.6671 -5.6671 -3.9465 -3.9465 -1.9009 -1.9009 -1.6183 -1.6183 -1.4472 -1.4472 -1.3683 -1.3683 -0.9191 -0.9191 0.3670 0.3670 0.4730 0.4730 0.5769 0.5769 0.7800 0.7800 0.8334 0.8334 0.9973 0.9973 1.0728 1.0728 1.3487 1.3487 1.6553 1.6553 1.8010 1.8010 1.9970 1.9970 2.0191 2.0191 5.0418 5.0418 5.5904 5.5904 5.6155 5.6155 5.6520 5.6520 7.1654 7.1654 k = 0.0227 0.0106 0.0070 ( 10880 PWs) bands (ev): -10.7744 -10.7744 -10.2730 -10.2730 -9.5446 -9.5446 -9.5444 -9.5444 -9.4874 -9.4874 -9.4874 -9.4874 -5.6689 -5.6689 -3.9457 -3.9457 -1.9023 -1.9023 -1.6198 -1.6198 -1.4487 -1.4487 -1.3677 -1.3677 -0.9183 -0.9183 0.3701 0.3701 0.4714 0.4714 0.5856 0.5856 0.7819 0.7819 0.8361 0.8361 0.9914 0.9914 1.0733 1.0733 1.3501 1.3501 1.6632 1.6632 1.7906 1.7906 2.0005 2.0005 2.0160 2.0160 5.0422 5.0422 5.5872 5.5872 5.6161 5.6161 5.6478 5.6478 7.1643 7.1643 k = 0.0000 0.0000 0.0000 ( 10877 PWs) bands (ev): -10.7748 -10.7748 -10.2724 -10.2724 -9.5446 -9.5446 -9.5444 -9.5444 -9.4874 -9.4874 -9.4874 -9.4874 -5.6694 -5.6694 -3.9455 -3.9455 -1.9028 -1.9028 -1.6203 -1.6203 -1.4492 -1.4492 -1.3674 -1.3674 -0.9180 -0.9180 0.3712 0.3712 0.4708 0.4708 0.5885 0.5885 0.7826 0.7826 0.8372 0.8372 0.9892 0.9892 1.0735 1.0735 1.3506 1.3506 1.6662 1.6662 1.7868 1.7868 2.0021 2.0021 2.0146 2.0146 5.0423 5.0423 5.5862 5.5862 5.6164 5.6164 5.6463 5.6463 7.1639 7.1639 k = 0.0000 0.0000 0.0000 ( 10877 PWs) bands (ev): -10.7748 -10.7748 -10.2724 -10.2724 -9.5446 -9.5446 -9.5444 -9.5444 -9.4874 -9.4874 -9.4874 -9.4874 -5.6694 -5.6694 -3.9455 -3.9455 -1.9028 -1.9028 -1.6203 -1.6203 -1.4492 -1.4492 -1.3674 -1.3674 -0.9180 -0.9180 0.3712 0.3712 0.4708 0.4708 0.5885 0.5885 0.7826 0.7826 0.8372 0.8372 0.9892 0.9892 1.0735 1.0735 1.3506 1.3506 1.6662 1.6662 1.7868 1.7868 2.0021 2.0021 2.0146 2.0146 5.0423 5.0423 5.5862 5.5862 5.6164 5.6164 5.6463 5.6463 7.1639 7.1639 k = 0.0112-0.0095-0.0222 ( 10869 PWs) bands (ev): -10.7743 -10.7743 -10.2721 -10.2721 -9.5452 -9.5452 -9.5447 -9.5447 -9.4877 -9.4877 -9.4875 -9.4875 -5.6689 -5.6689 -3.9451 -3.9451 -1.9024 -1.9024 -1.6204 -1.6204 -1.4479 -1.4479 -1.3668 -1.3668 -0.9174 -0.9174 0.3698 0.3698 0.4725 0.4725 0.5877 0.5877 0.7799 0.7799 0.8384 0.8384 0.9832 0.9832 1.0804 1.0804 1.3516 1.3516 1.6649 1.6649 1.7861 1.7861 1.9995 1.9995 2.0124 2.0124 5.0440 5.0440 5.5842 5.5842 5.6176 5.6176 5.6498 5.6498 7.1590 7.1590 k = 0.0224-0.0189-0.0444 ( 10873 PWs) bands (ev): -10.7729 -10.7729 -10.2711 -10.2711 -9.5473 -9.5473 -9.5455 -9.5455 -9.4887 -9.4887 -9.4879 -9.4879 -5.6671 -5.6671 -3.9441 -3.9441 -1.9012 -1.9012 -1.6206 -1.6206 -1.4444 -1.4444 -1.3648 -1.3648 -0.9157 -0.9157 0.3658 0.3658 0.4771 0.4771 0.5856 0.5856 0.7730 0.7730 0.8413 0.8413 0.9693 0.9693 1.0970 1.0970 1.3547 1.3547 1.6609 1.6609 1.7839 1.7839 1.9919 1.9919 2.0060 2.0060 5.0489 5.0489 5.5796 5.5796 5.6197 5.6197 5.6605 5.6605 7.1497 7.1497 k = 0.0337-0.0284-0.0667 ( 10871 PWs) bands (ev): -10.7705 -10.7705 -10.2695 -10.2695 -9.5506 -9.5506 -9.5468 -9.5468 -9.4903 -9.4903 -9.4886 -9.4886 -5.6642 -5.6642 -3.9424 -3.9424 -1.8992 -1.8992 -1.6208 -1.6208 -1.4385 -1.4385 -1.3617 -1.3617 -0.9126 -0.9126 0.3599 0.3599 0.4824 0.4824 0.5830 0.5830 0.7633 0.7633 0.8446 0.8446 0.9531 0.9531 1.1178 1.1178 1.3596 1.3596 1.6543 1.6543 1.7801 1.7801 1.9798 1.9798 1.9960 1.9960 5.0567 5.0567 5.5738 5.5738 5.6213 5.6213 5.6777 5.6777 7.1390 7.1390 k = 0.0449-0.0379-0.0889 ( 10871 PWs) bands (ev): -10.7672 -10.7672 -10.2673 -10.2673 -9.5552 -9.5552 -9.5485 -9.5485 -9.4925 -9.4925 -9.4896 -9.4896 -5.6601 -5.6601 -3.9399 -3.9399 -1.8964 -1.8964 -1.6207 -1.6207 -1.4306 -1.4306 -1.3574 -1.3574 -0.9083 -0.9083 0.3526 0.3526 0.4859 0.4859 0.5815 0.5815 0.7526 0.7526 0.8468 0.8468 0.9374 0.9374 1.1402 1.1402 1.3659 1.3659 1.6451 1.6451 1.7744 1.7744 1.9637 1.9637 1.9836 1.9836 5.0667 5.0667 5.5674 5.5674 5.6226 5.6226 5.7002 5.7002 7.1277 7.1277 k = 0.0561-0.0473-0.1111 ( 10877 PWs) bands (ev): -10.7630 -10.7630 -10.2645 -10.2645 -9.5610 -9.5610 -9.5508 -9.5508 -9.4953 -9.4953 -9.4909 -9.4909 -5.6550 -5.6550 -3.9369 -3.9369 -1.8931 -1.8931 -1.6203 -1.6203 -1.4209 -1.4209 -1.3522 -1.3522 -0.9024 -0.9024 0.3440 0.3440 0.4850 0.4850 0.5819 0.5819 0.7426 0.7426 0.8469 0.8469 0.9240 0.9240 1.1627 1.1627 1.3732 1.3732 1.6333 1.6333 1.7666 1.7666 1.9441 1.9441 1.9706 1.9706 5.0780 5.0780 5.5604 5.5604 5.6236 5.6236 5.7267 5.7267 7.1157 7.1157 k = 0.0673-0.0568-0.1333 ( 10871 PWs) bands (ev): -10.7579 -10.7579 -10.2611 -10.2611 -9.5679 -9.5679 -9.5535 -9.5535 -9.4986 -9.4986 -9.4925 -9.4925 -5.6488 -5.6488 -3.9332 -3.9332 -1.8891 -1.8891 -1.6193 -1.6193 -1.4097 -1.4097 -1.3462 -1.3462 -0.8950 -0.8950 0.3342 0.3342 0.4787 0.4787 0.5833 0.5833 0.7355 0.7355 0.8438 0.8438 0.9141 0.9141 1.1846 1.1846 1.3808 1.3808 1.6191 1.6191 1.7567 1.7567 1.9215 1.9215 1.9585 1.9585 5.0897 5.0897 5.5524 5.5524 5.6246 5.6246 5.7561 5.7561 7.1025 7.1025 k = 0.0786-0.0663-0.1555 ( 10869 PWs) bands (ev): -10.7520 -10.7520 -10.2573 -10.2573 -9.5757 -9.5757 -9.5567 -9.5567 -9.5024 -9.5024 -9.4944 -9.4944 -5.6417 -5.6417 -3.9289 -3.9289 -1.8847 -1.8847 -1.6174 -1.6174 -1.3973 -1.3973 -1.3396 -1.3396 -0.8859 -0.8859 0.3228 0.3228 0.4682 0.4682 0.5825 0.5825 0.7331 0.7331 0.8373 0.8373 0.9085 0.9085 1.2053 1.2053 1.3878 1.3878 1.6031 1.6031 1.7452 1.7452 1.8972 1.8972 1.9484 1.9484 5.1009 5.1009 5.5433 5.5433 5.6255 5.6255 5.7875 5.7875 7.0876 7.0876 k = 0.0898-0.0758-0.1778 ( 10875 PWs) bands (ev): -10.7453 -10.7453 -10.2529 -10.2529 -9.5844 -9.5844 -9.5603 -9.5603 -9.5066 -9.5066 -9.4966 -9.4966 -5.6337 -5.6337 -3.9241 -3.9241 -1.8799 -1.8799 -1.6147 -1.6147 -1.3840 -1.3840 -1.3324 -1.3324 -0.8751 -0.8751 0.3097 0.3097 0.4550 0.4550 0.5767 0.5767 0.7358 0.7358 0.8287 0.8287 0.9065 0.9065 1.2244 1.2244 1.3934 1.3934 1.5860 1.5860 1.7324 1.7324 1.8726 1.8726 1.9409 1.9409 5.1104 5.1104 5.5329 5.5329 5.6264 5.6264 5.8197 5.8197 7.0705 7.0705 k = 0.1010-0.0852-0.2000 ( 10875 PWs) bands (ev): -10.7379 -10.7379 -10.2482 -10.2482 -9.5939 -9.5939 -9.5642 -9.5642 -9.5112 -9.5112 -9.4992 -9.4992 -5.6250 -5.6250 -3.9187 -3.9187 -1.8749 -1.8749 -1.6109 -1.6109 -1.3703 -1.3703 -1.3247 -1.3247 -0.8628 -0.8628 0.2947 0.2947 0.4406 0.4406 0.5651 0.5651 0.7404 0.7404 0.8216 0.8216 0.9072 0.9072 1.2410 1.2410 1.3966 1.3966 1.5694 1.5694 1.7189 1.7189 1.8493 1.8493 1.9360 1.9360 5.1175 5.1175 5.5211 5.5211 5.6272 5.6272 5.8519 5.8519 7.0510 7.0510 k = 0.1122-0.0947-0.2222 ( 10877 PWs) bands (ev): -10.7297 -10.7297 -10.2432 -10.2432 -9.6040 -9.6040 -9.5686 -9.5686 -9.5161 -9.5161 -9.5021 -9.5021 -5.6155 -5.6155 -3.9129 -3.9129 -1.8696 -1.8696 -1.6059 -1.6059 -1.3565 -1.3565 -1.3164 -1.3164 -0.8491 -0.8491 0.2779 0.2779 0.4259 0.4259 0.5489 0.5489 0.7402 0.7402 0.8203 0.8203 0.9103 0.9103 1.2540 1.2540 1.3975 1.3975 1.5545 1.5545 1.7052 1.7052 1.8287 1.8287 1.9336 1.9336 5.1214 5.1214 5.5078 5.5078 5.6276 5.6276 5.8832 5.8832 7.0291 7.0291 k = 0.1235-0.1042-0.2444 ( 10879 PWs) bands (ev): -10.7210 -10.7210 -10.2380 -10.2380 -9.6145 -9.6145 -9.5732 -9.5732 -9.5212 -9.5212 -9.5052 -9.5052 -5.6054 -5.6054 -3.9067 -3.9067 -1.8641 -1.8641 -1.5999 -1.5999 -1.3433 -1.3433 -1.3072 -1.3072 -0.8345 -0.8345 0.2596 0.2596 0.4114 0.4114 0.5297 0.5297 0.7308 0.7308 0.8261 0.8261 0.9163 0.9163 1.2618 1.2618 1.3972 1.3972 1.5420 1.5420 1.6923 1.6923 1.8119 1.8119 1.9335 1.9335 5.1216 5.1216 5.4929 5.4929 5.6277 5.6277 5.9127 5.9127 7.0053 7.0053 k = 0.1347-0.1136-0.2667 ( 10872 PWs) bands (ev): -10.7117 -10.7117 -10.2325 -10.2325 -9.6254 -9.6254 -9.5781 -9.5781 -9.5265 -9.5265 -9.5086 -9.5086 -5.5949 -5.5949 -3.9001 -3.9001 -1.8584 -1.8584 -1.5928 -1.5928 -1.3312 -1.3312 -1.2969 -1.2969 -0.8193 -0.8193 0.2402 0.2402 0.3971 0.3971 0.5090 0.5090 0.7140 0.7140 0.8339 0.8339 0.9267 0.9267 1.2629 1.2629 1.3978 1.3978 1.5313 1.5313 1.6819 1.6819 1.7990 1.7990 1.9355 1.9355 5.1179 5.1179 5.4762 5.4762 5.6272 5.6272 5.9400 5.9400 6.9804 6.9804 k = 0.1459-0.1231-0.2889 ( 10874 PWs) bands (ev): -10.7020 -10.7020 -10.2271 -10.2271 -9.6365 -9.6365 -9.5832 -9.5832 -9.5318 -9.5318 -9.5123 -9.5123 -5.5839 -5.5839 -3.8933 -3.8933 -1.8525 -1.8525 -1.5849 -1.5849 -1.3206 -1.3206 -1.2854 -1.2854 -0.8043 -0.8043 0.2205 0.2205 0.3826 0.3826 0.4879 0.4879 0.6929 0.6929 0.8388 0.8388 0.9420 0.9420 1.2573 1.2573 1.4002 1.4002 1.5217 1.5217 1.6754 1.6754 1.7899 1.7899 1.9394 1.9394 5.1104 5.1104 5.4579 5.4579 5.6262 5.6262 5.9644 5.9644 6.9551 6.9551 k = 0.1571-0.1326-0.3111 ( 10878 PWs) bands (ev): -10.6919 -10.6919 -10.2216 -10.2216 -9.6477 -9.6477 -9.5884 -9.5884 -9.5371 -9.5371 -9.5162 -9.5162 -5.5727 -5.5727 -3.8863 -3.8863 -1.8464 -1.8464 -1.5762 -1.5762 -1.3116 -1.3116 -1.2728 -1.2728 -0.7901 -0.7901 0.2012 0.2012 0.3670 0.3670 0.4681 0.4681 0.6692 0.6692 0.8394 0.8394 0.9609 0.9609 1.2469 1.2469 1.4023 1.4023 1.5143 1.5143 1.6737 1.6737 1.7840 1.7840 1.9450 1.9450 5.0991 5.0991 5.4380 5.4380 5.6246 5.6246 5.9856 5.9856 6.9302 6.9302 k = 0.1684-0.1420-0.3333 ( 10870 PWs) bands (ev): -10.6816 -10.6816 -10.2163 -10.2163 -9.6588 -9.6588 -9.5936 -9.5936 -9.5423 -9.5423 -9.5204 -9.5204 -5.5614 -5.5614 -3.8791 -3.8791 -1.8400 -1.8400 -1.5671 -1.5671 -1.3037 -1.3037 -1.2597 -1.2597 -0.7774 -0.7774 0.1828 0.1828 0.3493 0.3493 0.4510 0.4510 0.6445 0.6445 0.8364 0.8364 0.9810 0.9810 1.2348 1.2348 1.4001 1.4001 1.5119 1.5119 1.6763 1.6763 1.7809 1.7809 1.9520 1.9520 5.0843 5.0843 5.4167 5.4167 5.6224 5.6224 6.0033 6.0033 6.9064 6.9064 k = 0.1796-0.1515-0.3555 ( 10872 PWs) bands (ev): -10.6711 -10.6711 -10.2113 -10.2113 -9.6696 -9.6696 -9.5989 -9.5989 -9.5474 -9.5474 -9.5247 -9.5247 -5.5500 -5.5500 -3.8720 -3.8720 -1.8334 -1.8334 -1.5577 -1.5577 -1.2966 -1.2966 -1.2464 -1.2464 -0.7670 -0.7670 0.1655 0.1655 0.3290 0.3290 0.4380 0.4380 0.6196 0.6196 0.8309 0.8309 1.0000 1.0000 1.2230 1.2230 1.3911 1.3911 1.5165 1.5165 1.6820 1.6820 1.7804 1.7804 1.9604 1.9604 5.0667 5.0667 5.3942 5.3942 5.6198 5.6198 6.0173 6.0173 6.8842 6.8842 k = 0.1908-0.1610-0.3778 ( 10872 PWs) bands (ev): -10.6605 -10.6605 -10.2066 -10.2066 -9.6800 -9.6800 -9.6040 -9.6040 -9.5521 -9.5521 -9.5292 -9.5292 -5.5387 -5.5387 -3.8649 -3.8649 -1.8263 -1.8263 -1.5486 -1.5486 -1.2900 -1.2900 -1.2332 -1.2332 -0.7595 -0.7595 0.1492 0.1492 0.3065 0.3065 0.4291 0.4291 0.5958 0.5958 0.8240 0.8240 1.0159 1.0159 1.2134 1.2134 1.3763 1.3763 1.5270 1.5270 1.6895 1.6895 1.7825 1.7825 1.9697 1.9697 5.0466 5.0466 5.3710 5.3710 5.6171 5.6171 6.0275 6.0275 6.8642 6.8642 k = 0.2020-0.1704-0.4000 ( 10876 PWs) bands (ev): -10.6500 -10.6500 -10.2023 -10.2023 -9.6899 -9.6899 -9.6091 -9.6091 -9.5565 -9.5565 -9.5338 -9.5338 -5.5276 -5.5276 -3.8580 -3.8580 -1.8188 -1.8188 -1.5398 -1.5398 -1.2839 -1.2839 -1.2205 -1.2205 -0.7554 -0.7554 0.1334 0.1334 0.2837 0.2837 0.4238 0.4238 0.5741 0.5741 0.8166 0.8166 1.0273 1.0273 1.2069 1.2069 1.3586 1.3586 1.5406 1.5406 1.6978 1.6978 1.7874 1.7874 1.9799 1.9799 5.0247 5.0247 5.3473 5.3473 5.6143 5.6143 6.0340 6.0340 6.8466 6.8466 k = 0.2133-0.1799-0.4222 ( 10870 PWs) bands (ev): -10.6397 -10.6397 -10.1986 -10.1986 -9.6991 -9.6991 -9.6141 -9.6141 -9.5603 -9.5603 -9.5386 -9.5386 -5.5168 -5.5168 -3.8514 -3.8514 -1.8108 -1.8108 -1.5320 -1.5320 -1.2781 -1.2781 -1.2082 -1.2082 -0.7549 -0.7549 0.1168 0.1168 0.2627 0.2627 0.4206 0.4206 0.5559 0.5559 0.8092 0.8092 1.0333 1.0333 1.2037 1.2037 1.3402 1.3402 1.5549 1.5549 1.7059 1.7059 1.7950 1.7950 1.9906 1.9906 5.0015 5.0015 5.3238 5.3238 5.6119 5.6119 6.0370 6.0370 6.8315 6.8315 k = 0.2245-0.1894-0.4444 ( 10868 PWs) bands (ev): -10.6297 -10.6297 -10.1955 -10.1955 -9.7074 -9.7074 -9.6190 -9.6190 -9.5636 -9.5636 -9.5435 -9.5435 -5.5064 -5.5064 -3.8451 -3.8451 -1.8025 -1.8025 -1.5252 -1.5252 -1.2724 -1.2724 -1.1966 -1.1966 -0.7580 -0.7580 0.0985 0.0985 0.2454 0.2454 0.4182 0.4182 0.5427 0.5427 0.8026 0.8026 1.0340 1.0340 1.2029 1.2029 1.3227 1.3227 1.5682 1.5682 1.7139 1.7139 1.8049 1.8049 2.0015 2.0015 4.9777 4.9777 5.3009 5.3009 5.6100 5.6100 6.0367 6.0367 6.8191 6.8191 k = 0.2357-0.1989-0.4666 ( 10872 PWs) bands (ev): -10.6201 -10.6201 -10.1931 -10.1931 -9.7148 -9.7148 -9.6238 -9.6238 -9.5660 -9.5660 -9.5484 -9.5484 -5.4965 -5.4965 -3.8393 -3.8393 -1.7937 -1.7937 -1.5198 -1.5198 -1.2667 -1.2667 -1.1856 -1.1856 -0.7644 -0.7644 0.0780 0.0780 0.2326 0.2326 0.4148 0.4148 0.5357 0.5357 0.7971 0.7971 1.0302 1.0302 1.2032 1.2032 1.3073 1.3073 1.5796 1.5796 1.7217 1.7217 1.8166 1.8166 2.0126 2.0126 4.9539 4.9539 5.2792 5.2792 5.6091 5.6091 6.0337 6.0337 6.8094 6.8094 k = 0.2469-0.2083-0.4889 ( 10874 PWs) bands (ev): -10.6110 -10.6110 -10.1914 -10.1914 -9.7210 -9.7210 -9.6285 -9.6285 -9.5677 -9.5677 -9.5534 -9.5534 -5.4871 -5.4871 -3.8340 -3.8340 -1.7846 -1.7846 -1.5160 -1.5160 -1.2610 -1.2610 -1.1756 -1.1756 -0.7735 -0.7735 0.0560 0.0560 0.2237 0.2237 0.4098 0.4098 0.5355 0.5355 0.7931 0.7931 1.0230 1.0230 1.2028 1.2028 1.2950 1.2950 1.5884 1.5884 1.7296 1.7296 1.8293 1.8293 2.0235 2.0235 4.9306 4.9306 5.2592 5.2592 5.6093 5.6093 6.0283 6.0283 6.8025 6.8025 k = 0.2582-0.2178-0.5111 ( 10878 PWs) bands (ev): -10.6026 -10.6026 -10.1904 -10.1904 -9.7261 -9.7261 -9.6333 -9.6333 -9.5683 -9.5683 -9.5584 -9.5584 -5.4785 -5.4785 -3.8294 -3.8294 -1.7752 -1.7752 -1.5137 -1.5137 -1.2551 -1.2551 -1.1668 -1.1668 -0.7846 -0.7846 0.0340 0.0340 0.2173 0.2173 0.4033 0.4033 0.5414 0.5414 0.7908 0.7908 1.0136 1.0136 1.2003 1.2003 1.2863 1.2863 1.5944 1.5944 1.7376 1.7376 1.8422 1.8422 2.0339 2.0339 4.9086 4.9086 5.2413 5.2413 5.6110 5.6110 6.0210 6.0210 6.7986 6.7986 k = 0.2694-0.2273-0.5333 ( 10886 PWs) bands (ev): -10.5948 -10.5948 -10.1902 -10.1902 -9.7299 -9.7299 -9.6381 -9.6381 -9.5681 -9.5681 -9.5633 -9.5633 -5.4705 -5.4705 -3.8254 -3.8254 -1.7657 -1.7657 -1.5128 -1.5128 -1.2492 -1.2492 -1.1596 -1.1596 -0.7967 -0.7967 0.0133 0.0133 0.2119 0.2119 0.3963 0.3963 0.5519 0.5519 0.7904 0.7904 1.0031 1.0031 1.1952 1.1952 1.2811 1.2811 1.5978 1.5978 1.7454 1.7454 1.8546 1.8546 2.0436 2.0436 4.8882 4.8882 5.2259 5.2259 5.6143 5.6143 6.0124 6.0124 6.7979 6.7979 k = 0.2806-0.2367-0.5555 ( 10874 PWs) bands (ev): -10.5878 -10.5878 -10.1908 -10.1908 -9.7324 -9.7324 -9.6429 -9.6429 -9.5686 -9.5686 -9.5665 -9.5665 -5.4633 -5.4633 -3.8221 -3.8221 -1.7563 -1.7563 -1.5129 -1.5129 -1.2434 -1.2434 -1.1544 -1.1544 -0.8087 -0.8087 -0.0048 -0.0048 0.2063 0.2063 0.3896 0.3896 0.5652 0.5652 0.7916 0.7916 0.9922 0.9922 1.1879 1.1879 1.2784 1.2784 1.5990 1.5990 1.7527 1.7527 1.8662 1.8662 2.0524 2.0524 4.8702 4.8702 5.2135 5.2135 5.6194 5.6194 6.0031 6.0031 6.8005 6.8005 k = 0.2918-0.2462-0.5777 ( 10886 PWs) bands (ev): -10.5816 -10.5816 -10.1920 -10.1920 -9.7336 -9.7336 -9.6478 -9.6478 -9.5734 -9.5734 -9.5644 -9.5644 -5.4570 -5.4570 -3.8197 -3.8197 -1.7472 -1.7472 -1.5136 -1.5136 -1.2382 -1.2382 -1.1516 -1.1516 -0.8193 -0.8193 -0.0198 -0.0198 0.2001 0.2001 0.3838 0.3838 0.5798 0.5798 0.7941 0.7941 0.9818 0.9818 1.1793 1.1793 1.2770 1.2770 1.5983 1.5983 1.7592 1.7592 1.8765 1.8765 2.0601 2.0601 4.8550 4.8550 5.2043 5.2043 5.6263 5.6263 5.9938 5.9938 6.8064 6.8064 k = 0.3031-0.2557-0.6000 ( 10876 PWs) bands (ev): -10.5763 -10.5763 -10.1939 -10.1939 -9.7334 -9.7334 -9.6526 -9.6526 -9.5782 -9.5782 -9.5613 -9.5613 -5.4514 -5.4514 -3.8181 -3.8181 -1.7386 -1.7386 -1.5143 -1.5143 -1.2343 -1.2343 -1.1512 -1.1512 -0.8276 -0.8276 -0.0311 -0.0311 0.1931 0.1931 0.3787 0.3787 0.5944 0.5944 0.7973 0.7973 0.9727 0.9727 1.1701 1.1701 1.2761 1.2761 1.5961 1.5961 1.7646 1.7646 1.8854 1.8854 2.0665 2.0665 4.8430 4.8430 5.1984 5.1984 5.6348 5.6348 5.9849 5.9849 6.8154 6.8154 k = 0.3143-0.2651-0.6222 ( 10878 PWs) bands (ev): -10.5718 -10.5718 -10.1964 -10.1964 -9.7320 -9.7320 -9.6575 -9.6575 -9.5830 -9.5830 -9.5574 -9.5574 -5.4468 -5.4468 -3.8172 -3.8172 -1.7309 -1.7309 -1.5145 -1.5145 -1.2326 -1.2326 -1.1527 -1.1527 -0.8327 -0.8327 -0.0386 -0.0386 0.1857 0.1857 0.3744 0.3744 0.6077 0.6077 0.8003 0.8003 0.9657 0.9657 1.1608 1.1608 1.2750 1.2750 1.5927 1.5927 1.7688 1.7688 1.8928 1.8928 2.0715 2.0715 4.8345 4.8345 5.1961 5.1961 5.6448 5.6448 5.9772 5.9772 6.8266 6.8266 k = 0.3255-0.2746-0.6444 ( 10880 PWs) bands (ev): -10.5681 -10.5681 -10.1994 -10.1994 -9.7293 -9.7293 -9.6622 -9.6622 -9.5876 -9.5876 -9.5529 -9.5529 -5.4429 -5.4429 -3.8172 -3.8172 -1.7241 -1.7241 -1.5136 -1.5136 -1.2345 -1.2345 -1.1549 -1.1549 -0.8342 -0.8342 -0.0424 -0.0424 0.1782 0.1782 0.3708 0.3708 0.6188 0.6188 0.8023 0.8023 0.9616 0.9616 1.1517 1.1517 1.2733 1.2733 1.5883 1.5883 1.7716 1.7716 1.8986 1.8986 2.0753 2.0753 4.8298 4.8298 5.1974 5.1974 5.6558 5.6558 5.9714 5.9714 6.8368 6.8368 k = 0.3367-0.2841-0.6666 ( 10890 PWs) bands (ev): -10.5653 -10.5653 -10.2027 -10.2027 -9.7256 -9.7256 -9.6669 -9.6669 -9.5921 -9.5921 -9.5478 -9.5478 -5.4399 -5.4399 -3.8180 -3.8180 -1.7186 -1.7186 -1.5112 -1.5112 -1.2412 -1.2412 -1.1564 -1.1564 -0.8322 -0.8322 -0.0429 -0.0429 0.1714 0.1714 0.3678 0.3678 0.6271 0.6271 0.8025 0.8025 0.9605 0.9605 1.1431 1.1431 1.2710 1.2710 1.5829 1.5829 1.7729 1.7729 1.9029 1.9029 2.0778 2.0778 4.8290 4.8290 5.2022 5.2022 5.6673 5.6673 5.9681 5.9681 6.8351 6.8351 k = 0.3480-0.2935-0.6888 ( 10896 PWs) bands (ev): -10.5632 -10.5632 -10.2064 -10.2064 -9.7209 -9.7209 -9.6713 -9.6713 -9.5964 -9.5964 -9.5424 -9.5424 -5.4376 -5.4376 -3.8195 -3.8195 -1.7142 -1.7142 -1.5071 -1.5071 -1.2529 -1.2529 -1.1563 -1.1563 -0.8270 -0.8270 -0.0404 -0.0404 0.1656 0.1656 0.3654 0.3654 0.6321 0.6321 0.8004 0.8004 0.9625 0.9625 1.1351 1.1351 1.2681 1.2681 1.5767 1.5767 1.7728 1.7728 1.9057 1.9057 2.0795 2.0795 4.8321 4.8321 5.2104 5.2104 5.6788 5.6788 5.9679 5.9679 6.8166 6.8166 k = 0.3592-0.3030-0.7111 ( 10892 PWs) bands (ev): -10.5617 -10.5617 -10.2103 -10.2103 -9.7154 -9.7154 -9.6756 -9.6756 -9.6006 -9.6006 -9.5368 -9.5368 -5.4361 -5.4361 -3.8216 -3.8216 -1.7109 -1.7109 -1.5014 -1.5014 -1.2685 -1.2685 -1.1550 -1.1550 -0.8193 -0.8193 -0.0358 -0.0358 0.1615 0.1615 0.3636 0.3636 0.6336 0.6336 0.7961 0.7961 0.9667 0.9667 1.1278 1.1278 1.2647 1.2647 1.5695 1.5695 1.7712 1.7712 1.9072 1.9072 2.0807 2.0807 4.8391 4.8391 5.2218 5.2218 5.6896 5.6896 5.9712 5.9712 6.7919 6.7919 k = 0.6408-0.0707-0.5575 ( 10892 PWs) bands (ev): -10.5617 -10.5617 -10.2103 -10.2103 -9.7154 -9.7154 -9.6756 -9.6756 -9.6006 -9.6006 -9.5368 -9.5368 -5.4361 -5.4361 -3.8216 -3.8216 -1.7109 -1.7109 -1.5014 -1.5014 -1.2685 -1.2685 -1.1550 -1.1550 -0.8193 -0.8193 -0.0358 -0.0358 0.1615 0.1615 0.3636 0.3636 0.6336 0.6336 0.7961 0.7961 0.9667 0.9667 1.1278 1.1278 1.2647 1.2647 1.5695 1.5695 1.7712 1.7712 1.9072 1.9072 2.0807 2.0807 4.8391 4.8391 5.2218 5.2218 5.6896 5.6896 5.9712 5.9712 6.7919 6.7919 k = 0.6300-0.0473-0.5575 ( 10892 PWs) bands (ev): -10.5609 -10.5609 -10.2141 -10.2141 -9.7096 -9.7096 -9.6794 -9.6794 -9.6044 -9.6044 -9.5314 -9.5314 -5.4352 -5.4352 -3.8241 -3.8241 -1.7084 -1.7084 -1.4945 -1.4945 -1.2861 -1.2861 -1.1530 -1.1530 -0.8099 -0.8099 -0.0300 -0.0300 0.1598 0.1598 0.3627 0.3627 0.6319 0.6319 0.7899 0.7899 0.9720 0.9720 1.1216 1.1216 1.2614 1.2614 1.5618 1.5618 1.7683 1.7683 1.9074 1.9074 2.0818 2.0818 4.8491 4.8491 5.2356 5.2356 5.6987 5.6987 5.9781 5.9781 6.7674 6.7674 k = 0.6191-0.0240-0.5575 ( 10902 PWs) bands (ev): -10.5605 -10.5605 -10.2179 -10.2179 -9.7035 -9.7035 -9.6827 -9.6827 -9.6080 -9.6080 -9.5259 -9.5259 -5.4349 -5.4349 -3.8271 -3.8271 -1.7065 -1.7065 -1.4868 -1.4868 -1.3048 -1.3048 -1.1509 -1.1509 -0.7994 -0.7994 -0.0236 -0.0236 0.1607 0.1607 0.3626 0.3626 0.6274 0.6274 0.7818 0.7818 0.9776 0.9776 1.1161 1.1161 1.2586 1.2586 1.5531 1.5531 1.7641 1.7641 1.9064 1.9064 2.0832 2.0832 4.8620 4.8620 5.2518 5.2518 5.7064 5.7064 5.9884 5.9884 6.7438 6.7438 k = 0.6083-0.0007-0.5575 ( 10900 PWs) bands (ev): -10.5605 -10.5605 -10.2217 -10.2217 -9.6979 -9.6979 -9.6850 -9.6850 -9.6115 -9.6115 -9.5207 -9.5207 -5.4350 -5.4350 -3.8303 -3.8303 -1.7049 -1.7049 -1.4787 -1.4787 -1.3234 -1.3234 -1.1490 -1.1490 -0.7880 -0.7880 -0.0175 -0.0175 0.1646 0.1646 0.3634 0.3634 0.6206 0.6206 0.7722 0.7722 0.9829 0.9829 1.1112 1.1112 1.2566 1.2566 1.5435 1.5435 1.7588 1.7588 1.9042 1.9042 2.0853 2.0853 4.8773 4.8773 5.2700 5.2700 5.7123 5.7123 6.0019 6.0019 6.7219 6.7219 k = 0.5975 0.0226-0.5575 ( 10904 PWs) bands (ev): -10.5608 -10.5608 -10.2254 -10.2254 -9.6949 -9.6949 -9.6843 -9.6843 -9.6147 -9.6147 -9.5156 -9.5156 -5.4354 -5.4354 -3.8337 -3.8337 -1.7032 -1.7032 -1.4711 -1.4711 -1.3409 -1.3409 -1.1475 -1.1475 -0.7764 -0.7764 -0.0121 -0.0121 0.1718 0.1718 0.3650 0.3650 0.6120 0.6120 0.7609 0.7609 0.9875 0.9875 1.1064 1.1064 1.2561 1.2561 1.5330 1.5330 1.7526 1.7526 1.9008 1.9008 2.0881 2.0881 4.8943 4.8943 5.2897 5.2897 5.7166 5.7166 6.0178 6.0178 6.7022 6.7022 k = 0.5867 0.0459-0.5575 ( 10900 PWs) bands (ev): -10.5613 -10.5613 -10.2288 -10.2288 -9.6958 -9.6958 -9.6795 -9.6795 -9.6177 -9.6177 -9.5110 -9.5110 -5.4361 -5.4361 -3.8372 -3.8372 -1.7015 -1.7015 -1.4649 -1.4649 -1.3562 -1.3562 -1.1464 -1.1464 -0.7649 -0.7649 -0.0079 -0.0079 0.1821 0.1821 0.3674 0.3674 0.6024 0.6024 0.7481 0.7481 0.9913 0.9913 1.1015 1.1015 1.2576 1.2576 1.5217 1.5217 1.7459 1.7459 1.8964 1.8964 2.0918 2.0918 4.9125 4.9125 5.3104 5.3104 5.7193 5.7193 6.0353 6.0353 6.6848 6.6848 k = 0.5758 0.0692-0.5575 ( 10882 PWs) bands (ev): -10.5620 -10.5620 -10.2320 -10.2320 -9.6977 -9.6977 -9.6735 -9.6735 -9.6206 -9.6206 -9.5067 -9.5067 -5.4370 -5.4370 -3.8406 -3.8406 -1.6995 -1.6995 -1.4612 -1.4612 -1.3680 -1.3680 -1.1458 -1.1458 -0.7539 -0.7539 -0.0049 -0.0049 0.1952 0.1952 0.3703 0.3703 0.5924 0.5924 0.7340 0.7340 0.9946 0.9946 1.0960 1.0960 1.2612 1.2612 1.5097 1.5097 1.7390 1.7390 1.8913 1.8913 2.0961 2.0961 4.9310 4.9310 5.3315 5.3315 5.7206 5.7206 6.0536 6.0536 6.6701 6.6701 k = 0.5650 0.0925-0.5575 ( 10876 PWs) bands (ev): -10.5627 -10.5627 -10.2349 -10.2349 -9.6998 -9.6998 -9.6674 -9.6674 -9.6233 -9.6233 -9.5029 -9.5029 -5.4380 -5.4380 -3.8438 -3.8438 -1.6973 -1.6973 -1.4612 -1.4612 -1.3751 -1.3751 -1.1457 -1.1457 -0.7437 -0.7437 -0.0030 -0.0030 0.2104 0.2104 0.3731 0.3731 0.5828 0.5828 0.7188 0.7188 0.9975 0.9975 1.0898 1.0898 1.2670 1.2670 1.4972 1.4972 1.7323 1.7323 1.8858 1.8858 2.1007 2.1007 4.9490 4.9490 5.3524 5.3524 5.7206 5.7206 6.0717 6.0717 6.6581 6.6581 k = 0.5542 0.1158-0.5575 ( 10888 PWs) bands (ev): -10.5634 -10.5634 -10.2374 -10.2374 -9.7016 -9.7016 -9.6615 -9.6615 -9.6258 -9.6258 -9.4996 -9.4996 -5.4390 -5.4390 -3.8468 -3.8468 -1.6950 -1.6950 -1.4648 -1.4648 -1.3776 -1.3776 -1.1459 -1.1459 -0.7346 -0.7346 -0.0019 -0.0019 0.2270 0.2270 0.3751 0.3751 0.5746 0.5746 0.7030 0.7030 1.0004 1.0004 1.0830 1.0830 1.2744 1.2744 1.4845 1.4845 1.7260 1.7260 1.8803 1.8803 2.1055 2.1055 4.9658 4.9658 5.3723 5.3723 5.7194 5.7194 6.0887 6.0887 6.6487 6.6487 k = 0.5433 0.1391-0.5575 ( 10894 PWs) bands (ev): -10.5641 -10.5641 -10.2395 -10.2395 -9.7032 -9.7032 -9.6562 -9.6562 -9.6282 -9.6282 -9.4969 -9.4969 -5.4399 -5.4399 -3.8493 -3.8493 -1.6927 -1.6927 -1.4706 -1.4706 -1.3769 -1.3769 -1.1464 -1.1464 -0.7268 -0.7268 -0.0014 -0.0014 0.2441 0.2441 0.3758 0.3758 0.5687 0.5687 0.6871 0.6871 1.0034 1.0034 1.0760 1.0760 1.2828 1.2828 1.4721 1.4721 1.7204 1.7204 1.8752 1.8752 2.1099 2.1099 4.9806 4.9806 5.3906 5.3906 5.7174 5.7174 6.1038 6.1038 6.6417 6.6417 k = 0.5325 0.1624-0.5575 ( 10888 PWs) bands (ev): -10.5646 -10.5646 -10.2411 -10.2411 -9.7044 -9.7044 -9.6514 -9.6514 -9.6306 -9.6306 -9.4947 -9.4947 -5.4407 -5.4407 -3.8514 -3.8514 -1.6905 -1.6905 -1.4769 -1.4769 -1.3747 -1.3747 -1.1470 -1.1470 -0.7205 -0.7205 -0.0013 -0.0013 0.2606 0.2606 0.3745 0.3745 0.5655 0.5655 0.6720 0.6720 1.0065 1.0065 1.0692 1.0692 1.2914 1.2914 1.4606 1.4606 1.7159 1.7159 1.8708 1.8708 2.1137 2.1137 4.9928 4.9928 5.4063 5.4063 5.7149 5.7149 6.1164 6.1164 6.6369 6.6369 k = 0.5217 0.1857-0.5575 ( 10874 PWs) bands (ev): -10.5651 -10.5651 -10.2423 -10.2423 -9.7053 -9.7053 -9.6473 -9.6473 -9.6329 -9.6329 -9.4932 -9.4932 -5.4413 -5.4413 -3.8529 -3.8529 -1.6888 -1.6888 -1.4822 -1.4822 -1.3723 -1.3723 -1.1475 -1.1475 -0.7159 -0.7159 -0.0013 -0.0013 0.2752 0.2752 0.3713 0.3713 0.5650 0.5650 0.6589 0.6589 1.0094 1.0094 1.0633 1.0633 1.2991 1.2991 1.4510 1.4510 1.7125 1.7125 1.8675 1.8675 2.1166 2.1166 5.0019 5.0019 5.4185 5.4185 5.7124 5.7124 6.1258 6.1258 6.6338 6.6338 k = 0.5108 0.2090-0.5575 ( 10878 PWs) bands (ev): -10.5653 -10.5653 -10.2431 -10.2431 -9.7059 -9.7059 -9.6441 -9.6441 -9.6350 -9.6350 -9.4923 -9.4923 -5.4417 -5.4417 -3.8539 -3.8539 -1.6876 -1.6876 -1.4858 -1.4858 -1.3705 -1.3705 -1.1479 -1.1479 -0.7131 -0.7131 -0.0014 -0.0014 0.2857 0.2857 0.3678 0.3678 0.5660 0.5660 0.6496 0.6496 1.0117 1.0117 1.0592 1.0592 1.3045 1.3045 1.4446 1.4446 1.7104 1.7104 1.8654 1.8654 2.1184 2.1184 5.0076 5.0076 5.4263 5.4263 5.7106 5.7106 6.1316 6.1316 6.6321 6.6321 k = 0.5000 0.2324-0.5575 ( 10890 PWs) bands (ev): -10.5654 -10.5654 -10.2433 -10.2433 -9.7060 -9.7060 -9.6426 -9.6426 -9.6361 -9.6361 -9.4920 -9.4920 -5.4419 -5.4419 -3.8542 -3.8542 -1.6872 -1.6872 -1.4870 -1.4870 -1.3699 -1.3699 -1.1480 -1.1480 -0.7122 -0.7122 -0.0014 -0.0014 0.2898 0.2898 0.3662 0.3662 0.5666 0.5666 0.6462 0.6462 1.0125 1.0125 1.0577 1.0577 1.3065 1.3065 1.4422 1.4422 1.7097 1.7097 1.8647 1.8647 2.1190 2.1190 5.0095 5.0095 5.4290 5.4290 5.7100 5.7100 6.1336 6.1336 6.6316 6.6316 k = 0.5000 0.2324-0.5575 ( 10890 PWs) bands (ev): -10.5654 -10.5654 -10.2433 -10.2433 -9.7060 -9.7060 -9.6426 -9.6426 -9.6361 -9.6361 -9.4920 -9.4920 -5.4419 -5.4419 -3.8542 -3.8542 -1.6872 -1.6872 -1.4870 -1.4870 -1.3699 -1.3699 -1.1480 -1.1480 -0.7122 -0.7122 -0.0014 -0.0014 0.2898 0.2898 0.3662 0.3662 0.5666 0.5666 0.6462 0.6462 1.0125 1.0125 1.0577 1.0577 1.3065 1.3065 1.4422 1.4422 1.7097 1.7097 1.8647 1.8647 2.1190 2.1190 5.0095 5.0095 5.4290 5.4290 5.7100 5.7100 6.1336 6.1336 6.6316 6.6316 k = 0.5156 0.2396-0.5404 ( 10897 PWs) bands (ev): -10.5655 -10.5655 -10.2435 -10.2435 -9.7066 -9.7066 -9.6422 -9.6422 -9.6356 -9.6356 -9.4921 -9.4921 -5.4419 -5.4419 -3.8544 -3.8544 -1.6879 -1.6879 -1.4859 -1.4859 -1.3708 -1.3708 -1.1471 -1.1471 -0.7133 -0.7133 -0.0009 -0.0009 0.2891 0.2891 0.3672 0.3672 0.5655 0.5655 0.6479 0.6479 1.0117 1.0117 1.0581 1.0581 1.3052 1.3052 1.4437 1.4437 1.7092 1.7092 1.8650 1.8650 2.1183 2.1183 5.0105 5.0105 5.4289 5.4289 5.7100 5.7100 6.1327 6.1327 6.6327 6.6327 k = 0.5313 0.2469-0.5234 ( 10893 PWs) bands (ev): -10.5656 -10.5656 -10.2442 -10.2442 -9.7080 -9.7080 -9.6411 -9.6411 -9.6338 -9.6338 -9.4924 -9.4924 -5.4422 -5.4422 -3.8549 -3.8549 -1.6898 -1.6898 -1.4827 -1.4827 -1.3734 -1.3734 -1.1444 -1.1444 -0.7165 -0.7165 0.0006 0.0006 0.2873 0.2873 0.3699 0.3699 0.5627 0.5627 0.6526 0.6526 1.0090 1.0090 1.0592 1.0592 1.3019 1.3019 1.4480 1.4480 1.7076 1.7076 1.8661 1.8661 2.1163 2.1163 5.0137 5.0137 5.4288 5.4288 5.7099 5.7099 6.1300 6.1300 6.6361 6.6361 k = 0.5469 0.2542-0.5063 ( 10895 PWs) bands (ev): -10.5657 -10.5657 -10.2453 -10.2453 -9.7101 -9.7101 -9.6398 -9.6398 -9.6306 -9.6306 -9.4930 -9.4930 -5.4426 -5.4426 -3.8558 -3.8558 -1.6927 -1.6927 -1.4778 -1.4778 -1.3772 -1.3772 -1.1402 -1.1402 -0.7218 -0.7218 0.0030 0.0030 0.2849 0.2849 0.3739 0.3739 0.5592 0.5592 0.6594 0.6594 1.0048 1.0048 1.0610 1.0610 1.2975 1.2975 1.4541 1.4541 1.7051 1.7051 1.8676 1.8676 2.1129 2.1129 5.0189 5.0189 5.4287 5.4287 5.7098 5.7098 6.1258 6.1258 6.6417 6.6417 k = 0.5626 0.2614-0.4893 ( 10883 PWs) bands (ev): -10.5660 -10.5660 -10.2468 -10.2468 -9.7126 -9.7126 -9.6383 -9.6383 -9.6263 -9.6263 -9.4937 -9.4937 -5.4432 -5.4432 -3.8570 -3.8570 -1.6965 -1.6965 -1.4718 -1.4718 -1.3817 -1.3817 -1.1351 -1.1351 -0.7289 -0.7289 0.0062 0.0062 0.2822 0.2822 0.3784 0.3784 0.5560 0.5560 0.6675 0.6675 0.9989 0.9989 1.0635 1.0635 1.2931 1.2931 1.4611 1.4611 1.7017 1.7017 1.8695 1.8695 2.1084 2.1084 5.0260 5.0260 5.4287 5.4287 5.7096 5.7096 6.1203 6.1203 6.6494 6.6494 k = 0.5782 0.2687-0.4722 ( 10879 PWs) bands (ev): -10.5664 -10.5664 -10.2486 -10.2486 -9.7152 -9.7152 -9.6365 -9.6365 -9.6212 -9.6212 -9.4947 -9.4947 -5.4439 -5.4439 -3.8586 -3.8586 -1.7008 -1.7008 -1.4655 -1.4655 -1.3859 -1.3859 -1.1295 -1.1295 -0.7374 -0.7374 0.0101 0.0101 0.2796 0.2796 0.3827 0.3827 0.5540 0.5540 0.6762 0.6762 0.9916 0.9916 1.0665 1.0665 1.2896 1.2896 1.4684 1.4684 1.6974 1.6974 1.8715 1.8715 2.1027 2.1027 5.0347 5.0347 5.4291 5.4291 5.7091 5.7091 6.1139 6.1139 6.6589 6.6589 k = 0.5939 0.2760-0.4551 ( 10883 PWs) bands (ev): -10.5671 -10.5671 -10.2507 -10.2507 -9.7178 -9.7178 -9.6345 -9.6345 -9.6155 -9.6155 -9.4958 -9.4958 -5.4450 -5.4450 -3.8604 -3.8604 -1.7055 -1.7055 -1.4601 -1.4601 -1.3887 -1.3887 -1.1240 -1.1240 -0.7471 -0.7471 0.0145 0.0145 0.2774 0.2774 0.3864 0.3864 0.5538 0.5538 0.6852 0.6852 0.9831 0.9831 1.0701 1.0701 1.2876 1.2876 1.4754 1.4754 1.6924 1.6924 1.8732 1.8732 2.0960 2.0960 5.0447 5.0447 5.4300 5.4300 5.7082 5.7082 6.1069 6.1069 6.6702 6.6702 k = 0.6095 0.2832-0.4381 ( 10875 PWs) bands (ev): -10.5679 -10.5679 -10.2530 -10.2530 -9.7201 -9.7201 -9.6323 -9.6323 -9.6094 -9.6094 -9.4972 -9.4972 -5.4463 -5.4463 -3.8624 -3.8624 -1.7103 -1.7103 -1.4568 -1.4568 -1.3889 -1.3889 -1.1193 -1.1193 -0.7573 -0.7573 0.0193 0.0193 0.2757 0.2757 0.3892 0.3892 0.5556 0.5556 0.6943 0.6943 0.9737 0.9737 1.0743 1.0743 1.2873 1.2873 1.4818 1.4818 1.6868 1.6868 1.8745 1.8745 2.0885 2.0885 5.0557 5.0557 5.4317 5.4317 5.7069 5.7069 6.0998 6.0998 6.6830 6.6830 k = 0.6252 0.2905-0.4210 ( 10882 PWs) bands (ev): -10.5691 -10.5691 -10.2554 -10.2554 -9.7221 -9.7221 -9.6298 -9.6298 -9.6032 -9.6032 -9.4987 -9.4987 -5.4479 -5.4479 -3.8647 -3.8647 -1.7152 -1.7152 -1.4565 -1.4565 -1.3857 -1.3857 -1.1159 -1.1159 -0.7675 -0.7675 0.0244 0.0244 0.2744 0.2744 0.3913 0.3913 0.5594 0.5594 0.7035 0.7035 0.9639 0.9639 1.0790 1.0790 1.2888 1.2888 1.4874 1.4874 1.6808 1.6808 1.8749 1.8749 2.0803 2.0803 5.0672 5.0672 5.4344 5.4344 5.7051 5.7051 6.0930 6.0930 6.6973 6.6973 k = 0.6408 0.2978-0.4040 ( 10892 PWs) bands (ev): -10.5706 -10.5706 -10.2577 -10.2577 -9.7237 -9.7237 -9.6270 -9.6270 -9.5969 -9.5969 -9.5004 -9.5004 -5.4498 -5.4498 -3.8671 -3.8671 -1.7201 -1.7201 -1.4587 -1.4587 -1.3794 -1.3794 -1.1144 -1.1144 -0.7772 -0.7772 0.0296 0.0296 0.2734 0.2734 0.3929 0.3929 0.5647 0.5647 0.7130 0.7130 0.9541 0.9541 1.0842 1.0842 1.2918 1.2918 1.4922 1.4922 1.6746 1.6746 1.8743 1.8743 2.0716 2.0716 5.0787 5.0787 5.4383 5.4383 5.7028 5.7028 6.0869 6.0869 6.7130 6.7130 k = 0.6408 0.2978-0.4040 ( 10892 PWs) bands (ev): -10.5706 -10.5706 -10.2577 -10.2577 -9.7237 -9.7237 -9.6270 -9.6270 -9.5969 -9.5969 -9.5004 -9.5004 -5.4498 -5.4498 -3.8671 -3.8671 -1.7201 -1.7201 -1.4587 -1.4587 -1.3794 -1.3794 -1.1144 -1.1144 -0.7772 -0.7772 0.0296 0.0296 0.2734 0.2734 0.3929 0.3929 0.5647 0.5647 0.7130 0.7130 0.9541 0.9541 1.0842 1.0842 1.2918 1.2918 1.4922 1.4922 1.6746 1.6746 1.8743 1.8743 2.0716 2.0716 5.0787 5.0787 5.4383 5.4383 5.7028 5.7028 6.0869 6.0869 6.7130 6.7130 k = 0.6344 0.2948-0.3786 ( 10894 PWs) bands (ev): -10.5720 -10.5720 -10.2667 -10.2667 -9.7188 -9.7188 -9.6246 -9.6246 -9.5905 -9.5905 -9.4996 -9.4996 -5.4514 -5.4514 -3.8730 -3.8730 -1.7203 -1.7203 -1.4619 -1.4619 -1.3771 -1.3771 -1.1249 -1.1249 -0.7885 -0.7885 0.0383 0.0383 0.2740 0.2740 0.4034 0.4034 0.5702 0.5702 0.7247 0.7247 0.9521 0.9521 1.0776 1.0776 1.3016 1.3016 1.4855 1.4855 1.6678 1.6678 1.8638 1.8638 2.0697 2.0697 5.0933 5.0933 5.4571 5.4571 5.7158 5.7158 6.0877 6.0877 6.7321 6.7321 k = 0.6280 0.2918-0.3533 ( 10898 PWs) bands (ev): -10.5745 -10.5745 -10.2762 -10.2762 -9.7125 -9.7125 -9.6219 -9.6219 -9.5836 -9.5836 -9.4987 -9.4987 -5.4541 -5.4541 -3.8797 -3.8797 -1.7212 -1.7212 -1.4658 -1.4658 -1.3747 -1.3747 -1.1379 -1.1379 -0.8006 -0.8006 0.0475 0.0475 0.2751 0.2751 0.4160 0.4160 0.5776 0.5776 0.7380 0.7380 0.9485 0.9485 1.0733 1.0733 1.3113 1.3113 1.4787 1.4787 1.6624 1.6624 1.8508 1.8508 2.0672 2.0672 5.1091 5.1091 5.4770 5.4770 5.7304 5.7304 6.0886 6.0886 6.7551 6.7551 k = 0.6216 0.2889-0.3279 ( 10890 PWs) bands (ev): -10.5778 -10.5778 -10.2862 -10.2862 -9.7051 -9.7051 -9.6187 -9.6187 -9.5762 -9.5762 -9.4976 -9.4976 -5.4576 -5.4576 -3.8869 -3.8869 -1.7227 -1.7227 -1.4699 -1.4699 -1.3722 -1.3722 -1.1530 -1.1530 -0.8135 -0.8135 0.0563 0.0563 0.2772 0.2772 0.4303 0.4303 0.5869 0.5869 0.7530 0.7530 0.9434 0.9434 1.0711 1.0711 1.3199 1.3199 1.4723 1.4723 1.6595 1.6595 1.8359 1.8359 2.0643 2.0643 5.1254 5.1254 5.4973 5.4973 5.7463 5.7463 6.0896 6.0896 6.7816 6.7816 k = 0.6152 0.2859-0.3026 ( 10878 PWs) bands (ev): -10.5819 -10.5819 -10.2965 -10.2965 -9.6966 -9.6966 -9.6152 -9.6152 -9.5685 -9.5685 -9.4963 -9.4963 -5.4619 -5.4619 -3.8947 -3.8947 -1.7247 -1.7247 -1.4741 -1.4741 -1.3700 -1.3700 -1.1698 -1.1698 -0.8271 -0.8271 0.0641 0.0641 0.2806 0.2806 0.4458 0.4458 0.5976 0.5976 0.7695 0.7695 0.9373 0.9373 1.0704 1.0704 1.3266 1.3266 1.4669 1.4669 1.6598 1.6598 1.8200 1.8200 2.0610 2.0610 5.1414 5.1414 5.5174 5.5174 5.7633 5.7633 6.0904 6.0904 6.8112 6.8112 k = 0.6088 0.2829-0.2772 ( 10884 PWs) bands (ev): -10.5866 -10.5866 -10.3070 -10.3070 -9.6872 -9.6872 -9.6114 -9.6114 -9.5607 -9.5607 -9.4950 -9.4950 -5.4669 -5.4669 -3.9028 -3.9028 -1.7270 -1.7270 -1.4782 -1.4782 -1.3683 -1.3683 -1.1878 -1.1878 -0.8416 -0.8416 0.0703 0.0703 0.2856 0.2856 0.4619 0.4619 0.6094 0.6094 0.7869 0.7869 0.9310 0.9310 1.0706 1.0706 1.3306 1.3306 1.4630 1.4630 1.6637 1.6637 1.8042 1.8042 2.0575 2.0575 5.1564 5.1564 5.5369 5.5369 5.7810 5.7810 6.0908 6.0908 6.8434 6.8434 k = 0.6024 0.2799-0.2519 ( 10893 PWs) bands (ev): -10.5919 -10.5919 -10.3175 -10.3175 -9.6771 -9.6771 -9.6073 -9.6073 -9.5528 -9.5528 -9.4937 -9.4937 -5.4725 -5.4725 -3.9111 -3.9111 -1.7296 -1.7296 -1.4821 -1.4821 -1.3671 -1.3671 -1.2065 -1.2065 -0.8567 -0.8567 0.0746 0.0746 0.2920 0.2920 0.4780 0.4780 0.6216 0.6216 0.8043 0.8043 0.9254 0.9254 1.0719 1.0719 1.3314 1.3314 1.4610 1.4610 1.6715 1.6715 1.7899 1.7899 2.0538 2.0538 5.1698 5.1698 5.5552 5.5552 5.7988 5.7988 6.0902 6.0902 6.8776 6.8776 k = 0.5960 0.2770-0.2266 ( 10895 PWs) bands (ev): -10.5975 -10.5975 -10.3279 -10.3279 -9.6665 -9.6665 -9.6029 -9.6029 -9.5449 -9.5449 -9.4923 -9.4923 -5.4786 -5.4786 -3.9195 -3.9195 -1.7324 -1.7324 -1.4857 -1.4857 -1.3666 -1.3666 -1.2255 -1.2255 -0.8724 -0.8724 0.0770 0.0770 0.2999 0.2999 0.4938 0.4938 0.6336 0.6336 0.8201 0.8201 0.9214 0.9214 1.0747 1.0747 1.3290 1.3290 1.4607 1.4607 1.6825 1.6825 1.7785 1.7785 2.0500 2.0500 5.1810 5.1810 5.5720 5.5720 5.8163 5.8163 6.0885 6.0885 6.9130 6.9130 k = 0.5896 0.2740-0.2012 ( 10908 PWs) bands (ev): -10.6034 -10.6034 -10.3381 -10.3381 -9.6555 -9.6555 -9.5984 -9.5984 -9.5373 -9.5373 -9.4908 -9.4908 -5.4851 -5.4851 -3.9279 -3.9279 -1.7354 -1.7354 -1.4890 -1.4890 -1.3670 -1.3670 -1.2441 -1.2441 -0.8884 -0.8884 0.0775 0.0775 0.3090 0.3090 0.5089 0.5089 0.6450 0.6450 0.8319 0.8319 0.9201 0.9201 1.0800 1.0800 1.3237 1.3237 1.4615 1.4615 1.6956 1.6956 1.7724 1.7724 2.0462 2.0462 5.1894 5.1894 5.5871 5.5871 5.8331 5.8331 6.0852 6.0852 6.9489 6.9489 k = 0.5832 0.2710-0.1759 ( 10898 PWs) bands (ev): -10.6094 -10.6094 -10.3480 -10.3480 -9.6444 -9.6444 -9.5938 -9.5938 -9.5299 -9.5299 -9.4895 -9.4895 -5.4918 -5.4918 -3.9361 -3.9361 -1.7385 -1.7385 -1.4920 -1.4920 -1.3683 -1.3683 -1.2619 -1.2619 -0.9044 -0.9044 0.0764 0.0764 0.3187 0.3187 0.5227 0.5227 0.6558 0.6558 0.8384 0.8384 0.9213 0.9213 1.0888 1.0888 1.3164 1.3164 1.4626 1.4626 1.7089 1.7089 1.7741 1.7741 2.0424 2.0424 5.1948 5.1948 5.6003 5.6003 5.8485 5.8485 6.0801 6.0801 6.9846 6.9846 k = 0.5768 0.2680-0.1505 ( 10896 PWs) bands (ev): -10.6155 -10.6155 -10.3576 -10.3576 -9.6332 -9.6332 -9.5890 -9.5890 -9.5229 -9.5229 -9.4882 -9.4882 -5.4986 -5.4986 -3.9441 -3.9441 -1.7418 -1.7418 -1.4946 -1.4946 -1.3708 -1.3708 -1.2784 -1.2784 -0.9202 -0.9202 0.0737 0.0737 0.3283 0.3283 0.5352 0.5352 0.6662 0.6662 0.8400 0.8400 0.9238 0.9238 1.1011 1.1011 1.3077 1.3077 1.4629 1.4629 1.7213 1.7213 1.7851 1.7851 2.0388 2.0388 5.1969 5.1969 5.6113 5.6113 5.8621 5.8621 6.0733 6.0733 7.0192 7.0192 k = 0.5704 0.2651-0.1252 ( 10891 PWs) bands (ev): -10.6215 -10.6215 -10.3666 -10.3666 -9.6222 -9.6222 -9.5843 -9.5843 -9.5164 -9.5164 -9.4869 -9.4869 -5.5054 -5.5054 -3.9518 -3.9518 -1.7452 -1.7452 -1.4967 -1.4967 -1.3746 -1.3746 -1.2933 -1.2933 -0.9352 -0.9352 0.0700 0.0700 0.3371 0.3371 0.5459 0.5459 0.6769 0.6769 0.8384 0.8384 0.9262 0.9262 1.1151 1.1151 1.2992 1.2992 1.4619 1.4619 1.7340 1.7340 1.8043 1.8043 2.0353 2.0353 5.1955 5.1955 5.6202 5.6202 5.8735 5.8735 6.0649 6.0649 7.0521 7.0521 k = 0.5640 0.2621-0.0999 ( 10886 PWs) bands (ev): -10.6272 -10.6272 -10.3751 -10.3751 -9.6115 -9.6115 -9.5796 -9.5796 -9.5103 -9.5103 -9.4858 -9.4858 -5.5121 -5.5121 -3.9590 -3.9590 -1.7487 -1.7487 -1.4985 -1.4985 -1.3798 -1.3798 -1.3062 -1.3062 -0.9492 -0.9492 0.0654 0.0654 0.3444 0.3444 0.5550 0.5550 0.6882 0.6882 0.8354 0.8354 0.9279 0.9279 1.1277 1.1277 1.2928 1.2928 1.4593 1.4593 1.7491 1.7491 1.8286 1.8286 2.0321 2.0321 5.1908 5.1908 5.6267 5.6267 5.8826 5.8826 6.0553 6.0553 7.0827 7.0827 k = 0.5576 0.2591-0.0745 ( 10888 PWs) bands (ev): -10.6327 -10.6327 -10.3830 -10.3830 -9.6013 -9.6013 -9.5750 -9.5750 -9.5048 -9.5048 -9.4848 -9.4848 -5.5186 -5.5186 -3.9657 -3.9657 -1.7523 -1.7523 -1.4997 -1.4997 -1.3865 -1.3865 -1.3169 -1.3169 -0.9620 -0.9620 0.0603 0.0603 0.3494 0.3494 0.5627 0.5627 0.7004 0.7004 0.8324 0.8324 0.9288 0.9288 1.1349 1.1349 1.2909 1.2909 1.4551 1.4551 1.7678 1.7678 1.8557 1.8557 2.0292 2.0292 5.1829 5.1829 5.6307 5.6307 5.8892 5.8892 6.0452 6.0452 7.1103 7.1103 k = 0.5512 0.2561-0.0492 ( 10892 PWs) bands (ev): -10.6379 -10.6379 -10.3903 -10.3903 -9.5917 -9.5917 -9.5706 -9.5706 -9.4998 -9.4998 -9.4840 -9.4840 -5.5247 -5.5247 -3.9718 -3.9718 -1.7559 -1.7559 -1.5003 -1.5003 -1.3945 -1.3945 -1.3255 -1.3255 -0.9734 -0.9734 0.0550 0.0550 0.3518 0.3518 0.5695 0.5695 0.7132 0.7132 0.8307 0.8307 0.9291 0.9291 1.1339 1.1339 1.2951 1.2951 1.4496 1.4496 1.7897 1.7897 1.8839 1.8839 2.0265 2.0265 5.1724 5.1724 5.6321 5.6321 5.8935 5.8935 6.0351 6.0351 7.1347 7.1347 k = 0.5448 0.2532-0.0238 ( 10896 PWs) bands (ev): -10.6425 -10.6425 -10.3968 -10.3968 -9.5828 -9.5828 -9.5664 -9.5664 -9.4955 -9.4955 -9.4833 -9.4833 -5.5304 -5.5304 -3.9773 -3.9773 -1.7595 -1.7595 -1.5003 -1.5003 -1.4034 -1.4034 -1.3323 -1.3323 -0.9831 -0.9831 0.0497 0.0497 0.3517 0.3517 0.5755 0.5755 0.7257 0.7257 0.8318 0.8318 0.9288 0.9288 1.1247 1.1247 1.3047 1.3047 1.4432 1.4432 1.8140 1.8140 1.9121 1.9121 2.0240 2.0240 5.1598 5.1598 5.6310 5.6310 5.8959 5.8959 6.0258 6.0258 7.1555 7.1555 k = 0.5384 0.2502 0.0015 ( 10898 PWs) bands (ev): -10.6467 -10.6467 -10.4025 -10.4025 -9.5748 -9.5748 -9.5626 -9.5626 -9.4918 -9.4918 -9.4828 -9.4828 -5.5355 -5.5355 -3.9821 -3.9821 -1.7630 -1.7630 -1.4997 -1.4997 -1.4128 -1.4128 -1.3376 -1.3376 -0.9913 -0.9913 0.0446 0.0446 0.3495 0.3495 0.5808 0.5808 0.7372 0.7372 0.8369 0.8369 0.9280 0.9280 1.1093 1.1093 1.3172 1.3172 1.4364 1.4364 1.8393 1.8393 1.9391 1.9391 2.0216 2.0216 5.1459 5.1459 5.6277 5.6277 5.8968 5.8968 6.0177 6.0177 7.1726 7.1726 k = 0.5320 0.2472 0.0268 ( 10905 PWs) bands (ev): -10.6504 -10.6504 -10.4074 -10.4074 -9.5677 -9.5677 -9.5592 -9.5592 -9.4887 -9.4887 -9.4824 -9.4824 -5.5399 -5.5399 -3.9863 -3.9863 -1.7663 -1.7663 -1.4984 -1.4984 -1.4221 -1.4221 -1.3418 -1.3418 -0.9979 -0.9979 0.0399 0.0399 0.3460 0.3460 0.5854 0.5854 0.7468 0.7468 0.8464 0.8464 0.9269 0.9269 1.0898 1.0898 1.3305 1.3305 1.4297 1.4297 1.8643 1.8643 1.9639 1.9639 2.0193 2.0193 5.1318 5.1318 5.6227 5.6227 5.8966 5.8966 6.0111 6.0111 7.1860 7.1860 k = 0.5256 0.2443 0.0522 ( 10916 PWs) bands (ev): -10.6534 -10.6534 -10.4114 -10.4114 -9.5618 -9.5618 -9.5562 -9.5562 -9.4862 -9.4862 -9.4822 -9.4822 -5.5437 -5.5437 -3.9897 -3.9897 -1.7691 -1.7691 -1.4966 -1.4966 -1.4309 -1.4309 -1.3449 -1.3449 -1.0030 -1.0030 0.0358 0.0358 0.3418 0.3418 0.5891 0.5891 0.7544 0.7544 0.8599 0.8599 0.9260 0.9260 1.0679 1.0679 1.3429 1.3429 1.4232 1.4232 1.8877 1.8877 1.9852 1.9852 2.0173 2.0173 5.1184 5.1184 5.6168 5.6168 5.8961 5.8961 6.0059 6.0059 7.1961 7.1961 k = 0.5192 0.2413 0.0775 ( 10923 PWs) bands (ev): -10.6558 -10.6558 -10.4146 -10.4146 -9.5570 -9.5570 -9.5539 -9.5539 -9.4843 -9.4843 -9.4820 -9.4820 -5.5466 -5.5466 -3.9923 -3.9923 -1.7715 -1.7715 -1.4942 -1.4942 -1.4389 -1.4389 -1.3473 -1.3473 -1.0068 -1.0068 0.0325 0.0325 0.3377 0.3377 0.5919 0.5919 0.7602 0.7602 0.8754 0.8754 0.9261 0.9261 1.0449 1.0449 1.3536 1.3536 1.4174 1.4174 1.9081 1.9081 2.0009 2.0009 2.0169 2.0169 5.1068 5.1068 5.6108 5.6108 5.8954 5.8954 6.0021 6.0021 7.2033 7.2033 k = 0.5128 0.2383 0.1029 ( 10945 PWs) bands (ev): -10.6575 -10.6575 -10.4169 -10.4169 -9.5536 -9.5536 -9.5521 -9.5521 -9.4830 -9.4830 -9.4819 -9.4819 -5.5488 -5.5488 -3.9943 -3.9943 -1.7733 -1.7733 -1.4918 -1.4918 -1.4455 -1.4455 -1.3490 -1.3490 -1.0094 -1.0094 0.0300 0.0300 0.3343 0.3343 0.5937 0.5937 0.7644 0.7644 0.8896 0.8896 0.9296 0.9296 1.0219 1.0219 1.3621 1.3621 1.4126 1.4126 1.9244 1.9244 2.0060 2.0060 2.0223 2.0223 5.0977 5.0977 5.6057 5.6057 5.8948 5.8948 5.9995 5.9995 7.2083 7.2083 k = 0.5064 0.2353 0.1282 ( 10963 PWs) bands (ev): -10.6586 -10.6586 -10.4183 -10.4183 -9.5516 -9.5516 -9.5509 -9.5509 -9.4823 -9.4823 -9.4818 -9.4818 -5.5501 -5.5501 -3.9954 -3.9954 -1.7744 -1.7744 -1.4898 -1.4898 -1.4500 -1.4500 -1.3500 -1.3500 -1.0109 -1.0109 0.0284 0.0284 0.3321 0.3321 0.5948 0.5948 0.7671 0.7671 0.8979 0.8979 0.9384 0.9384 1.0016 1.0016 1.3677 1.3677 1.4091 1.4091 1.9351 1.9351 2.0053 2.0053 2.0290 2.0290 5.0920 5.0920 5.6022 5.6022 5.8944 5.8944 5.9981 5.9981 7.2111 7.2111 k = 0.5000 0.2324 0.1536 ( 10950 PWs) bands (ev): -10.6589 -10.6589 -10.4187 -10.4187 -9.5510 -9.5510 -9.5504 -9.5504 -9.4821 -9.4821 -9.4817 -9.4817 -5.5506 -5.5506 -3.9958 -3.9958 -1.7748 -1.7748 -1.4890 -1.4890 -1.4517 -1.4517 -1.3503 -1.3503 -1.0114 -1.0114 0.0279 0.0279 0.3313 0.3313 0.5951 0.5951 0.7680 0.7680 0.9002 0.9002 0.9451 0.9451 0.9915 0.9915 1.3697 1.3697 1.4079 1.4079 1.9390 1.9390 2.0046 2.0046 2.0315 2.0315 5.0900 5.0900 5.6010 5.6010 5.8943 5.8943 5.9976 5.9976 7.2120 7.2120 k = 0.5000-0.4218-0.2788 ( 10894 PWs) bands (ev): -10.6038 -10.6038 -10.1969 -10.1969 -9.7618 -9.7618 -9.5805 -9.5805 -9.5760 -9.5760 -9.5537 -9.5537 -5.4886 -5.4886 -3.8473 -3.8473 -1.7897 -1.7897 -1.4402 -1.4402 -1.3338 -1.3338 -1.1473 -1.1473 -0.7005 -0.7005 0.0956 0.0956 0.1797 0.1797 0.4303 0.4303 0.4582 0.4582 0.8097 0.8097 1.0116 1.0116 1.1121 1.1121 1.4813 1.4813 1.4845 1.4845 1.7128 1.7128 1.7486 1.7486 2.0013 2.0013 5.0382 5.0382 5.4504 5.4504 5.4578 5.4578 6.0826 6.0826 6.8408 6.8408 k = 0.5188-0.4063-0.2685 ( 10893 PWs) bands (ev): -10.6035 -10.6035 -10.1973 -10.1973 -9.7616 -9.7616 -9.5816 -9.5816 -9.5759 -9.5759 -9.5528 -9.5528 -5.4882 -5.4882 -3.8474 -3.8474 -1.7892 -1.7892 -1.4415 -1.4415 -1.3324 -1.3324 -1.1470 -1.1470 -0.7014 -0.7014 0.0942 0.0942 0.1812 0.1812 0.4263 0.4263 0.4633 0.4633 0.8085 0.8085 1.0086 1.0086 1.1144 1.1144 1.4626 1.4626 1.5021 1.5021 1.7073 1.7073 1.7552 1.7552 2.0011 2.0011 5.0389 5.0389 5.4459 5.4459 5.4633 5.4633 6.0826 6.0826 6.8372 6.8372 k = 0.5375-0.3908-0.2583 ( 10885 PWs) bands (ev): -10.6028 -10.6028 -10.1984 -10.1984 -9.7611 -9.7611 -9.5842 -9.5842 -9.5759 -9.5759 -9.5504 -9.5504 -5.4873 -5.4873 -3.8478 -3.8478 -1.7879 -1.7879 -1.4451 -1.4451 -1.3288 -1.3288 -1.1463 -1.1463 -0.7041 -0.7041 0.0903 0.0903 0.1856 0.1856 0.4184 0.4184 0.4742 0.4742 0.8050 0.8050 1.0005 1.0005 1.1204 1.1204 1.4417 1.4417 1.5197 1.5197 1.6965 1.6965 1.7693 1.7693 2.0005 2.0005 5.0408 5.0408 5.4396 5.4396 5.4724 5.4724 6.0825 6.0825 6.8281 6.8281 k = 0.5563-0.3753-0.2480 ( 10884 PWs) bands (ev): -10.6016 -10.6016 -10.2004 -10.2004 -9.7604 -9.7604 -9.5876 -9.5876 -9.5761 -9.5761 -9.5469 -9.5469 -5.4858 -5.4858 -3.8484 -3.8484 -1.7857 -1.7857 -1.4501 -1.4501 -1.3240 -1.3240 -1.1448 -1.1448 -0.7084 -0.7084 0.0847 0.0847 0.1919 0.1919 0.4102 0.4102 0.4873 0.4873 0.7994 0.7994 0.9894 0.9894 1.1283 1.1283 1.4204 1.4204 1.5353 1.5353 1.6852 1.6852 1.7859 1.7859 1.9997 1.9997 5.0440 5.0440 5.4335 5.4335 5.4832 5.4832 6.0823 6.0823 6.8168 6.8168 k = 0.5751-0.3598-0.2378 ( 10885 PWs) bands (ev): -10.5999 -10.5999 -10.2031 -10.2031 -9.7593 -9.7593 -9.5915 -9.5915 -9.5767 -9.5767 -9.5429 -9.5429 -5.4837 -5.4837 -3.8493 -3.8493 -1.7827 -1.7827 -1.4558 -1.4558 -1.3191 -1.3191 -1.1424 -1.1424 -0.7142 -0.7142 0.0782 0.0782 0.1996 0.1996 0.4027 0.4027 0.5013 0.5013 0.7917 0.7917 0.9769 0.9769 1.1365 1.1365 1.3992 1.3992 1.5481 1.5481 1.6752 1.6752 1.8035 1.8035 1.9987 1.9987 5.0481 5.0481 5.4278 5.4278 5.4957 5.4957 6.0819 6.0819 6.8050 6.8050 k = 0.5939-0.3443-0.2276 ( 10889 PWs) bands (ev): -10.5978 -10.5978 -10.2065 -10.2065 -9.7578 -9.7578 -9.5955 -9.5955 -9.5775 -9.5775 -9.5387 -9.5387 -5.4811 -5.4811 -3.8504 -3.8504 -1.7789 -1.7789 -1.4613 -1.4613 -1.3153 -1.3153 -1.1389 -1.1389 -0.7214 -0.7214 0.0712 0.0712 0.2079 0.2079 0.3962 0.3962 0.5156 0.5156 0.7825 0.7825 0.9643 0.9643 1.1439 1.1439 1.3784 1.3784 1.5575 1.5575 1.6671 1.6671 1.8214 1.8214 1.9980 1.9980 5.0531 5.0531 5.4225 5.4225 5.5101 5.5101 6.0812 6.0812 6.7936 6.7936 k = 0.6126-0.3289-0.2173 ( 10892 PWs) bands (ev): -10.5954 -10.5954 -10.2106 -10.2106 -9.7560 -9.7560 -9.5995 -9.5995 -9.5785 -9.5785 -9.5343 -9.5343 -5.4782 -5.4782 -3.8517 -3.8517 -1.7745 -1.7745 -1.4662 -1.4662 -1.3135 -1.3135 -1.1341 -1.1341 -0.7295 -0.7295 0.0642 0.0642 0.2165 0.2165 0.3908 0.3908 0.5297 0.5297 0.7721 0.7721 0.9526 0.9526 1.1498 1.1498 1.3584 1.3584 1.5628 1.5628 1.6617 1.6617 1.8387 1.8387 1.9980 1.9980 5.0586 5.0586 5.4178 5.4178 5.5263 5.5263 6.0802 6.0802 6.7829 6.7829 k = 0.6314-0.3134-0.2071 ( 10896 PWs) bands (ev): -10.5926 -10.5926 -10.2152 -10.2152 -9.7539 -9.7539 -9.6034 -9.6034 -9.5798 -9.5798 -9.5299 -9.5299 -5.4748 -5.4748 -3.8531 -3.8531 -1.7695 -1.7695 -1.4700 -1.4700 -1.3140 -1.3140 -1.1282 -1.1282 -0.7383 -0.7383 0.0575 0.0575 0.2252 0.2252 0.3866 0.3866 0.5429 0.5429 0.7613 0.7613 0.9423 0.9423 1.1536 1.1536 1.3398 1.3398 1.5637 1.5637 1.6592 1.6592 1.8546 1.8546 1.9991 1.9991 5.0643 5.0643 5.4138 5.4138 5.5443 5.5443 6.0789 6.0789 6.7730 6.7730 k = 0.6502-0.2979-0.1969 ( 10897 PWs) bands (ev): -10.5897 -10.5897 -10.2202 -10.2202 -9.7513 -9.7513 -9.6072 -9.6072 -9.5813 -9.5813 -9.5256 -9.5256 -5.4713 -5.4713 -3.8547 -3.8547 -1.7640 -1.7640 -1.4725 -1.4725 -1.3170 -1.3170 -1.1217 -1.1217 -0.7473 -0.7473 0.0513 0.0513 0.2336 0.2336 0.3834 0.3834 0.5545 0.5545 0.7507 0.7507 0.9340 0.9340 1.1547 1.1547 1.3233 1.3233 1.5606 1.5606 1.6591 1.6591 1.8680 1.8680 2.0022 2.0022 5.0697 5.0697 5.4110 5.4110 5.5640 5.5640 6.0773 6.0773 6.7639 6.7639 k = 0.6690-0.2824-0.1866 ( 10899 PWs) bands (ev): -10.5865 -10.5865 -10.2257 -10.2257 -9.7484 -9.7484 -9.6108 -9.6108 -9.5830 -9.5830 -9.5214 -9.5214 -5.4676 -5.4676 -3.8565 -3.8565 -1.7582 -1.7582 -1.4735 -1.4735 -1.3225 -1.3225 -1.1151 -1.1151 -0.7561 -0.7561 0.0456 0.0456 0.2417 0.2417 0.3813 0.3813 0.5638 0.5638 0.7411 0.7411 0.9282 0.9282 1.1525 1.1525 1.3096 1.3096 1.5543 1.5543 1.6608 1.6608 1.8782 1.8782 2.0077 2.0077 5.0745 5.0745 5.4095 5.4095 5.5850 5.5850 6.0757 6.0757 6.7555 6.7555 k = 0.6877-0.2669-0.1764 ( 10893 PWs) bands (ev): -10.5833 -10.5833 -10.2313 -10.2313 -9.7452 -9.7452 -9.6142 -9.6142 -9.5849 -9.5849 -9.5174 -9.5174 -5.4640 -5.4640 -3.8583 -3.8583 -1.7520 -1.7520 -1.4731 -1.4731 -1.3301 -1.3301 -1.1092 -1.1092 -0.7641 -0.7641 0.0407 0.0407 0.2494 0.2494 0.3804 0.3804 0.5701 0.5701 0.7331 0.7331 0.9252 0.9252 1.1468 1.1468 1.2992 1.2992 1.5458 1.5458 1.6632 1.6632 1.8845 1.8845 2.0159 2.0159 5.0783 5.0783 5.4097 5.4097 5.6069 5.6069 6.0743 6.0743 6.7477 6.7477 k = 0.7065-0.2514-0.1661 ( 10897 PWs) bands (ev): -10.5802 -10.5802 -10.2370 -10.2370 -9.7416 -9.7416 -9.6173 -9.6173 -9.5869 -9.5869 -9.5135 -9.5135 -5.4604 -5.4604 -3.8601 -3.8601 -1.7456 -1.7456 -1.4713 -1.4713 -1.3394 -1.3394 -1.1050 -1.1050 -0.7707 -0.7707 0.0366 0.0366 0.2563 0.2563 0.3805 0.3805 0.5732 0.5732 0.7269 0.7269 0.9253 0.9253 1.1376 1.1376 1.2924 1.2924 1.5360 1.5360 1.6659 1.6659 1.8872 1.8872 2.0263 2.0263 5.0809 5.0809 5.4118 5.4118 5.6290 5.6290 6.0736 6.0736 6.7402 6.7402 k = 0.7253-0.2359-0.1559 ( 10897 PWs) bands (ev): -10.5772 -10.5772 -10.2427 -10.2427 -9.7376 -9.7376 -9.6202 -9.6202 -9.5892 -9.5892 -9.5099 -9.5099 -5.4571 -5.4571 -3.8619 -3.8619 -1.7392 -1.7392 -1.4684 -1.4684 -1.3498 -1.3498 -1.1030 -1.1030 -0.7755 -0.7755 0.0334 0.0334 0.2624 0.2624 0.3818 0.3818 0.5734 0.5734 0.7223 0.7223 0.9286 0.9286 1.1257 1.1257 1.2889 1.2889 1.5253 1.5253 1.6685 1.6685 1.8868 1.8868 2.0379 2.0379 5.0821 5.0821 5.4159 5.4159 5.6505 5.6505 6.0740 6.0741 6.7329 6.7329 k = 0.7441-0.2204-0.1457 ( 10885 PWs) bands (ev): -10.5745 -10.5745 -10.2482 -10.2482 -9.7333 -9.7333 -9.6228 -9.6228 -9.5916 -9.5916 -9.5064 -9.5064 -5.4542 -5.4542 -3.8637 -3.8637 -1.7327 -1.7327 -1.4648 -1.4648 -1.3605 -1.3605 -1.1039 -1.1039 -0.7782 -0.7782 0.0311 0.0311 0.2674 0.2674 0.3843 0.3843 0.5714 0.5714 0.7188 0.7188 0.9349 0.9349 1.1121 1.1121 1.2880 1.2880 1.5142 1.5142 1.6708 1.6708 1.8841 1.8841 2.0499 2.0499 5.0820 5.0820 5.4219 5.4219 5.6706 5.6706 6.0762 6.0762 6.7259 6.7259 k = 0.7628-0.2049-0.1354 ( 10880 PWs) bands (ev): -10.5723 -10.5723 -10.2532 -10.2532 -9.7286 -9.7286 -9.6250 -9.6250 -9.5942 -9.5942 -9.5033 -9.5033 -5.4517 -5.4517 -3.8655 -3.8655 -1.7263 -1.7263 -1.4612 -1.4612 -1.3708 -1.3708 -1.1077 -1.1077 -0.7787 -0.7787 0.0298 0.0298 0.2711 0.2711 0.3880 0.3880 0.5682 0.5682 0.7159 0.7159 0.9437 0.9437 1.0979 1.0979 1.2892 1.2892 1.5030 1.5030 1.6729 1.6729 1.8798 1.8798 2.0613 2.0613 5.0808 5.0808 5.4295 5.4295 5.6882 5.6882 6.0804 6.0804 6.7192 6.7192 k = 0.7816-0.1894-0.1252 ( 10892 PWs) bands (ev): -10.5706 -10.5706 -10.2577 -10.2577 -9.7237 -9.7237 -9.6270 -9.6270 -9.5969 -9.5969 -9.5004 -9.5004 -5.4498 -5.4498 -3.8671 -3.8671 -1.7201 -1.7201 -1.4587 -1.4587 -1.3794 -1.3794 -1.1144 -1.1144 -0.7772 -0.7772 0.0296 0.0296 0.2734 0.2734 0.3929 0.3929 0.5647 0.5647 0.7130 0.7130 0.9541 0.9541 1.0842 1.0842 1.2918 1.2918 1.4922 1.4922 1.6746 1.6746 1.8743 1.8743 2.0715 2.0715 5.0787 5.0787 5.4383 5.4383 5.7028 5.7028 6.0868 6.0868 6.7130 6.7130 Writing output data file SiI3.save init_run : 0.36s CPU 0.48s WALL ( 1 calls) electrons : 211.96s CPU 214.35s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.02s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 211.96s CPU 214.34s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.00s WALL ( 1 calls) newd : 0.11s CPU 0.11s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.06s CPU 0.08s WALL ( 194 calls) cegterg : 193.96s CPU 195.83s WALL ( 240 calls) Called by sum_band: Called by *egterg: h_psi : 122.04s CPU 123.88s WALL ( 4283 calls) s_psi : 8.54s CPU 8.53s WALL ( 4283 calls) g_psi : 0.22s CPU 0.20s WALL ( 3849 calls) cdiaghg : 59.32s CPU 59.47s WALL ( 4043 calls) cegterg:over : 7.51s CPU 7.52s WALL ( 3849 calls) cegterg:upda : 5.32s CPU 5.49s WALL ( 3849 calls) cegterg:last : 2.79s CPU 2.84s WALL ( 628 calls) cdiaghg:chol : 2.44s CPU 2.57s WALL ( 4043 calls) cdiaghg:inve : 1.74s CPU 1.63s WALL ( 4043 calls) cdiaghg:para : 3.48s CPU 3.43s WALL ( 8086 calls) Called by h_psi: h_psi:vloc : 105.40s CPU 107.15s WALL ( 4283 calls) h_psi:vnl : 16.46s CPU 16.55s WALL ( 4283 calls) add_vuspsi : 8.83s CPU 8.93s WALL ( 4283 calls) General routines calbec : 7.60s CPU 7.61s WALL ( 4283 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 102.04s CPU 103.49s WALL ( 511932 calls) davcio : 0.15s CPU 0.18s WALL ( 388 calls) Parallel routines fft_scatter : 60.84s CPU 61.48s WALL ( 511947 calls) PWSCF : 3m59.99s CPU 4m17.73s WALL This run was terminated on: 2:16:53 1Feb2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=