Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 19:26:15 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./In2Te3.save/ file In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 4D 4D renormalized file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 63 47 14 1339 870 141 Max 64 48 15 1342 890 143 Sum 2297 1727 513 48283 31707 5095 bravais-lattice index = 14 lattice parameter (alat) = 17.4519 a.u. unit-cell volume = 894.7915 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 2 number of electrons = 44.00 number of Kohn-Sham states= 52 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 217.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 17.451891 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.899373 celldm(5)= 0.899373 celldm(6)= 0.899373 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.899373 0.437181 0.000000 ) a(3) = ( 0.899373 0.207010 0.385064 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -2.057210 -1.229693 ) b(2) = ( 0.000000 2.287381 -1.229693 ) b(3) = ( 0.000000 0.000000 2.596971 ) PseudoPot. # 1 for In read from file: /users/gautes/Pseudo/In.rel-pbe-dn-rrkjus_psl.1.0.0.UPF MD5 check sum: 52ff8a85f9af3f41268f91f861ab85bf Pseudo is Ultrasoft + core correction, Zval = 13.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1241 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 Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1245 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential In 13.00 114.81800 In( 1.00) Te 6.00 127.60000 Te( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 288 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 2) = ( 0.0111111 -0.0228579 -0.0136633), wk = 0.0034722 k( 3) = ( 0.0222222 -0.0457158 -0.0273265), wk = 0.0034722 k( 4) = ( 0.0333333 -0.0685737 -0.0409898), wk = 0.0034722 k( 5) = ( 0.0444444 -0.0914315 -0.0546530), wk = 0.0034722 k( 6) = ( 0.0555556 -0.1142895 -0.0683163), wk = 0.0034722 k( 7) = ( 0.0666667 -0.1371473 -0.0819796), wk = 0.0034722 k( 8) = ( 0.0777778 -0.1600052 -0.0956428), wk = 0.0034722 k( 9) = ( 0.0888889 -0.1828631 -0.1093061), wk = 0.0034722 k( 10) = ( 0.1000000 -0.2057210 -0.1229693), wk = 0.0034722 k( 11) = ( 0.1111111 -0.2285789 -0.1366326), wk = 0.0034722 k( 12) = ( 0.1222222 -0.2514368 -0.1502958), wk = 0.0034722 k( 13) = ( 0.1333333 -0.2742947 -0.1639591), wk = 0.0034722 k( 14) = ( 0.1444444 -0.2971525 -0.1776224), wk = 0.0034722 k( 15) = ( 0.1555556 -0.3200104 -0.1912856), wk = 0.0034722 k( 16) = ( 0.1666667 -0.3428683 -0.2049489), wk = 0.0034722 k( 17) = ( 0.1777778 -0.3657262 -0.2186121), wk = 0.0034722 k( 18) = ( 0.1888889 -0.3885841 -0.2322754), wk = 0.0034722 k( 19) = ( 0.2000000 -0.4114420 -0.2459387), wk = 0.0034722 k( 20) = ( 0.2111111 -0.4342999 -0.2596019), wk = 0.0034722 k( 21) = ( 0.2222222 -0.4571578 -0.2732652), wk = 0.0034722 k( 22) = ( 0.2333333 -0.4800156 -0.2869284), wk = 0.0034722 k( 23) = ( 0.2444444 -0.5028735 -0.3005917), wk = 0.0034722 k( 24) = ( 0.2555556 -0.5257314 -0.3142550), wk = 0.0034722 k( 25) = ( 0.2666667 -0.5485893 -0.3279182), wk = 0.0034722 k( 26) = ( 0.2777778 -0.5714472 -0.3415815), wk = 0.0034722 k( 27) = ( 0.2888889 -0.5943051 -0.3552447), wk = 0.0034722 k( 28) = ( 0.3000000 -0.6171630 -0.3689080), wk = 0.0034722 k( 29) = ( 0.3111111 -0.6400209 -0.3825712), wk = 0.0034722 k( 30) = ( 0.3222222 -0.6628788 -0.3962345), wk = 0.0034722 k( 31) = ( 0.3333333 -0.6857366 -0.4098978), wk = 0.0034722 k( 32) = ( 0.3444444 -0.7085945 -0.4235610), wk = 0.0034722 k( 33) = ( 0.3555556 -0.7314524 -0.4372243), wk = 0.0034722 k( 34) = ( 0.3666667 -0.7543103 -0.4508875), wk = 0.0034722 k( 35) = ( 0.3777778 -0.7771682 -0.4645508), wk = 0.0034722 k( 36) = ( 0.3888889 -0.8000261 -0.4782141), wk = 0.0034722 k( 37) = ( 0.4000000 -0.8228840 -0.4918773), wk = 0.0034722 k( 38) = ( 0.4111111 -0.8457419 -0.5055406), wk = 0.0034722 k( 39) = ( 0.4222222 -0.8685998 -0.5192038), wk = 0.0034722 k( 40) = ( 0.4333333 -0.8914576 -0.5328671), wk = 0.0034722 k( 41) = ( 0.4444444 -0.9143155 -0.5465303), wk = 0.0034722 k( 42) = ( 0.4555556 -0.9371734 -0.5601936), wk = 0.0034722 k( 43) = ( 0.4666667 -0.9600313 -0.5738569), wk = 0.0034722 k( 44) = ( 0.4777778 -0.9828892 -0.5875201), wk = 0.0034722 k( 45) = ( 0.4888889 -1.0057471 -0.6011834), wk = 0.0034722 k( 46) = ( 0.5000000 -1.0286050 -0.6148466), wk = 0.0034722 k( 47) = ( 0.5000000 -1.0286050 -0.6148466), wk = 0.0034722 k( 48) = ( 0.5000000 -1.0140105 -0.6392623), wk = 0.0034722 k( 49) = ( 0.5000000 -0.9994161 -0.6636780), wk = 0.0034722 k( 50) = ( 0.5000000 -0.9848217 -0.6880937), wk = 0.0034722 k( 51) = ( 0.5000000 -0.9702273 -0.7125094), wk = 0.0034722 k( 52) = ( 0.5000000 -0.9556329 -0.7369250), wk = 0.0034722 k( 53) = ( 0.5000000 -0.9410384 -0.7613407), wk = 0.0034722 k( 54) = ( 0.5000000 -0.9264440 -0.7857564), wk = 0.0034722 k( 55) = ( 0.5000000 -0.9118496 -0.8101720), wk = 0.0034722 k( 56) = ( 0.5000000 -0.8972552 -0.8345877), wk = 0.0034722 k( 57) = ( 0.5000000 -0.8826608 -0.8590034), wk = 0.0034722 k( 58) = ( 0.5000000 -0.8680663 -0.8834190), wk = 0.0034722 k( 59) = ( 0.5000000 -0.8534719 -0.9078347), wk = 0.0034722 k( 60) = ( 0.5000000 -0.8388775 -0.9322504), wk = 0.0034722 k( 61) = ( 0.5000000 -0.8242831 -0.9566661), wk = 0.0034722 k( 62) = ( 0.5000000 -0.8096886 -0.9810818), wk = 0.0034722 k( 63) = ( 0.5000000 -0.7950942 -1.0054974), wk = 0.0034722 k( 64) = ( 0.5000000 -0.7804998 -1.0299131), wk = 0.0034722 k( 65) = ( 0.5000000 -0.7659054 -1.0543288), wk = 0.0034722 k( 66) = ( 0.5000000 -0.7513110 -1.0787444), wk = 0.0034722 k( 67) = ( 0.5000000 -0.7367165 -1.1031601), wk = 0.0034722 k( 68) = ( 0.5000000 -0.7221221 -1.1275758), wk = 0.0034722 k( 69) = ( 0.5000000 -0.7075277 -1.1519915), wk = 0.0034722 k( 70) = ( 0.5000000 -0.6929333 -1.1764071), wk = 0.0034722 k( 71) = ( 0.5000000 -0.6783389 -1.2008228), wk = 0.0034722 k( 72) = ( 0.5000000 -0.6637444 -1.2252385), wk = 0.0034722 k( 73) = ( 0.5000000 -0.6491500 -1.2496542), wk = 0.0034722 k( 74) = ( 0.5000000 -0.6345556 -1.2740698), wk = 0.0034722 k( 75) = ( 0.5000000 -0.6199612 -1.2984855), wk = 0.0034722 k( 76) = ( 0.8213486 -0.5459960 -1.1609011), wk = 0.0034722 k( 77) = ( 0.8147905 -0.5325045 -1.1358053), wk = 0.0034722 k( 78) = ( 0.8082324 -0.5190130 -1.1107095), wk = 0.0034722 k( 79) = ( 0.8016742 -0.5055216 -1.0856137), wk = 0.0034722 k( 80) = ( 0.7951161 -0.4920301 -1.0605180), wk = 0.0034722 k( 81) = ( 0.7885579 -0.4785386 -1.0354222), wk = 0.0034722 k( 82) = ( 0.7819998 -0.4650472 -1.0103264), wk = 0.0034722 k( 83) = ( 0.7754417 -0.4515557 -0.9852306), wk = 0.0034722 k( 84) = ( 0.7688835 -0.4380643 -0.9601348), wk = 0.0034722 k( 85) = ( 0.7623254 -0.4245728 -0.9350390), wk = 0.0034722 k( 86) = ( 0.7557673 -0.4110813 -0.9099433), wk = 0.0034722 k( 87) = ( 0.7492091 -0.3975899 -0.8848475), wk = 0.0034722 k( 88) = ( 0.7426510 -0.3840984 -0.8597517), wk = 0.0034722 k( 89) = ( 0.7360929 -0.3706070 -0.8346559), wk = 0.0034722 k( 90) = ( 0.7295347 -0.3571155 -0.8095601), wk = 0.0034722 k( 91) = ( 0.7229766 -0.3436240 -0.7844643), wk = 0.0034722 k( 92) = ( 0.7164185 -0.3301326 -0.7593686), wk = 0.0034722 k( 93) = ( 0.7098603 -0.3166411 -0.7342728), wk = 0.0034722 k( 94) = ( 0.7033022 -0.3031497 -0.7091770), wk = 0.0034722 k( 95) = ( 0.6967440 -0.2896582 -0.6840812), wk = 0.0034722 k( 96) = ( 0.6901859 -0.2761667 -0.6589855), wk = 0.0034722 k( 97) = ( 0.6836278 -0.2626753 -0.6338897), wk = 0.0034722 k( 98) = ( 0.6770696 -0.2491838 -0.6087939), wk = 0.0034722 k( 99) = ( 0.6705115 -0.2356923 -0.5836981), wk = 0.0034722 k( 100) = ( 0.6639534 -0.2222009 -0.5586023), wk = 0.0034722 k( 101) = ( 0.6573952 -0.2087094 -0.5335065), wk = 0.0034722 k( 102) = ( 0.6508371 -0.1952180 -0.5084108), wk = 0.0034722 k( 103) = ( 0.6442790 -0.1817265 -0.4833150), wk = 0.0034722 k( 104) = ( 0.6377208 -0.1682351 -0.4582192), wk = 0.0034722 k( 105) = ( 0.6311627 -0.1547436 -0.4331234), wk = 0.0034722 k( 106) = ( 0.6246046 -0.1412521 -0.4080276), wk = 0.0034722 k( 107) = ( 0.6180464 -0.1277607 -0.3829318), wk = 0.0034722 k( 108) = ( 0.6114883 -0.1142692 -0.3578361), wk = 0.0034722 k( 109) = ( 0.6049302 -0.1007777 -0.3327403), wk = 0.0034722 k( 110) = ( 0.5983720 -0.0872863 -0.3076445), wk = 0.0034722 k( 111) = ( 0.5918139 -0.0737948 -0.2825487), wk = 0.0034722 k( 112) = ( 0.5852558 -0.0603034 -0.2574530), wk = 0.0034722 k( 113) = ( 0.5786976 -0.0468119 -0.2323572), wk = 0.0034722 k( 114) = ( 0.5721395 -0.0333204 -0.2072614), wk = 0.0034722 k( 115) = ( 0.5655813 -0.0198290 -0.1821656), wk = 0.0034722 k( 116) = ( 0.5590232 -0.0063375 -0.1570698), wk = 0.0034722 k( 117) = ( 0.5524651 0.0071539 -0.1319740), wk = 0.0034722 k( 118) = ( 0.5459070 0.0206454 -0.1068783), wk = 0.0034722 k( 119) = ( 0.5393488 0.0341369 -0.0817825), wk = 0.0034722 k( 120) = ( 0.5327907 0.0476283 -0.0566867), wk = 0.0034722 k( 121) = ( 0.5262325 0.0611198 -0.0315909), wk = 0.0034722 k( 122) = ( 0.5196744 0.0746112 -0.0064952), wk = 0.0034722 k( 123) = ( 0.5131163 0.0881027 0.0186007), wk = 0.0034722 k( 124) = ( 0.5065581 0.1015942 0.0436964), wk = 0.0034722 k( 125) = ( 0.5000000 0.1150856 0.0687922), wk = 0.0034722 k( 126) = ( 0.5000000 0.1150856 0.0687922), wk = 0.0034722 k( 127) = ( 0.4722222 0.1086920 0.0649704), wk = 0.0034722 k( 128) = ( 0.4444444 0.1022983 0.0611486), wk = 0.0034722 k( 129) = ( 0.4166667 0.0959047 0.0573268), wk = 0.0034722 k( 130) = ( 0.3888889 0.0895110 0.0535051), wk = 0.0034722 k( 131) = ( 0.3611111 0.0831174 0.0496833), wk = 0.0034722 k( 132) = ( 0.3333333 0.0767238 0.0458615), wk = 0.0034722 k( 133) = ( 0.3055556 0.0703301 0.0420397), wk = 0.0034722 k( 134) = ( 0.2777778 0.0639365 0.0382179), wk = 0.0034722 k( 135) = ( 0.2500000 0.0575428 0.0343961), wk = 0.0034722 k( 136) = ( 0.2222222 0.0511492 0.0305743), wk = 0.0034722 k( 137) = ( 0.1944444 0.0447555 0.0267525), wk = 0.0034722 k( 138) = ( 0.1666667 0.0383619 0.0229307), wk = 0.0034722 k( 139) = ( 0.1388889 0.0319682 0.0191089), wk = 0.0034722 k( 140) = ( 0.1111111 0.0255746 0.0152872), wk = 0.0034722 k( 141) = ( 0.0833333 0.0191809 0.0114654), wk = 0.0034722 k( 142) = ( 0.0555556 0.0127873 0.0076436), wk = 0.0034722 k( 143) = ( 0.0277778 0.0063936 0.0038218), wk = 0.0034722 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 146) = ( 0.0065255 -0.0134243 -0.0249709), wk = 0.0034722 k( 147) = ( 0.0130510 -0.0268486 -0.0499418), wk = 0.0034722 k( 148) = ( 0.0195765 -0.0402729 -0.0749126), wk = 0.0034722 k( 149) = ( 0.0261020 -0.0536973 -0.0998835), wk = 0.0034722 k( 150) = ( 0.0326275 -0.0671216 -0.1248544), wk = 0.0034722 k( 151) = ( 0.0391530 -0.0805459 -0.1498252), wk = 0.0034722 k( 152) = ( 0.0456785 -0.0939702 -0.1747961), wk = 0.0034722 k( 153) = ( 0.0522039 -0.1073945 -0.1997670), wk = 0.0034722 k( 154) = ( 0.0587295 -0.1208188 -0.2247379), wk = 0.0034722 k( 155) = ( 0.0652549 -0.1342431 -0.2497087), wk = 0.0034722 k( 156) = ( 0.0717804 -0.1476674 -0.2746796), wk = 0.0034722 k( 157) = ( 0.0783059 -0.1610917 -0.2996505), wk = 0.0034722 k( 158) = ( 0.0848314 -0.1745160 -0.3246214), wk = 0.0034722 k( 159) = ( 0.0913569 -0.1879404 -0.3495923), wk = 0.0034722 k( 160) = ( 0.0978824 -0.2013647 -0.3745631), wk = 0.0034722 k( 161) = ( 0.1044079 -0.2147890 -0.3995340), wk = 0.0034722 k( 162) = ( 0.1109334 -0.2282133 -0.4245049), wk = 0.0034722 k( 163) = ( 0.1174589 -0.2416376 -0.4494757), wk = 0.0034722 k( 164) = ( 0.1239844 -0.2550619 -0.4744466), wk = 0.0034722 k( 165) = ( 0.1305099 -0.2684862 -0.4994175), wk = 0.0034722 k( 166) = ( 0.1370354 -0.2819105 -0.5243884), wk = 0.0034722 k( 167) = ( 0.1435609 -0.2953349 -0.5493593), wk = 0.0034722 k( 168) = ( 0.1500864 -0.3087592 -0.5743301), wk = 0.0034722 k( 169) = ( 0.1566119 -0.3221835 -0.5993010), wk = 0.0034722 k( 170) = ( 0.1631373 -0.3356078 -0.6242719), wk = 0.0034722 k( 171) = ( 0.1696629 -0.3490321 -0.6492428), wk = 0.0034722 k( 172) = ( 0.1761883 -0.3624564 -0.6742136), wk = 0.0034722 k( 173) = ( 0.1827138 -0.3758807 -0.6991845), wk = 0.0034722 k( 174) = ( 0.1892393 -0.3893050 -0.7241554), wk = 0.0034722 k( 175) = ( 0.1957648 -0.4027293 -0.7491262), wk = 0.0034722 k( 176) = ( 0.2022903 -0.4161537 -0.7740971), wk = 0.0034722 k( 177) = ( 0.2088158 -0.4295780 -0.7990680), wk = 0.0034722 k( 178) = ( 0.2153413 -0.4430023 -0.8240389), wk = 0.0034722 k( 179) = ( 0.2218668 -0.4564266 -0.8490098), wk = 0.0034722 k( 180) = ( 0.2283923 -0.4698509 -0.8739806), wk = 0.0034722 k( 181) = ( 0.2349178 -0.4832752 -0.8989515), wk = 0.0034722 k( 182) = ( 0.2414433 -0.4966995 -0.9239224), wk = 0.0034722 k( 183) = ( 0.2479688 -0.5101238 -0.9488932), wk = 0.0034722 k( 184) = ( 0.2544943 -0.5235481 -0.9738641), wk = 0.0034722 k( 185) = ( 0.2610198 -0.5369724 -0.9988350), wk = 0.0034722 k( 186) = ( 0.2675453 -0.5503968 -1.0238059), wk = 0.0034722 k( 187) = ( 0.2740707 -0.5638211 -1.0487768), wk = 0.0034722 k( 188) = ( 0.2805962 -0.5772454 -1.0737476), wk = 0.0034722 k( 189) = ( 0.2871217 -0.5906697 -1.0987185), wk = 0.0034722 k( 190) = ( 0.2936472 -0.6040940 -1.1236894), wk = 0.0034722 k( 191) = ( 0.3001727 -0.6175183 -1.1486603), wk = 0.0034722 k( 192) = ( 0.3066982 -0.6309426 -1.1736311), wk = 0.0034722 k( 193) = ( 0.3132237 -0.6443669 -1.1986020), wk = 0.0034722 k( 194) = ( 0.3197492 -0.6577913 -1.2235729), wk = 0.0034722 k( 195) = ( 0.3262747 -0.6712156 -1.2485437), wk = 0.0034722 k( 196) = ( 0.3328002 -0.6846399 -1.2735146), wk = 0.0034722 k( 197) = ( 0.3393257 -0.6980642 -1.2984855), wk = 0.0034722 k( 198) = ( 0.6606743 -0.5829786 -1.2296933), wk = 0.0034722 k( 199) = ( 0.6542473 -0.5550560 -1.2296933), wk = 0.0034722 k( 200) = ( 0.6478204 -0.5271334 -1.2296933), wk = 0.0034722 k( 201) = ( 0.6413934 -0.4992108 -1.2296933), wk = 0.0034722 k( 202) = ( 0.6349664 -0.4712883 -1.2296933), wk = 0.0034722 k( 203) = ( 0.6285394 -0.4433657 -1.2296933), wk = 0.0034722 k( 204) = ( 0.6221125 -0.4154432 -1.2296933), wk = 0.0034722 k( 205) = ( 0.6156855 -0.3875206 -1.2296933), wk = 0.0034722 k( 206) = ( 0.6092585 -0.3595980 -1.2296933), wk = 0.0034722 k( 207) = ( 0.6028316 -0.3316755 -1.2296933), wk = 0.0034722 k( 208) = ( 0.5964046 -0.3037529 -1.2296933), wk = 0.0034722 k( 209) = ( 0.5899776 -0.2758303 -1.2296933), wk = 0.0034722 k( 210) = ( 0.5835506 -0.2479077 -1.2296933), wk = 0.0034722 k( 211) = ( 0.5771237 -0.2199852 -1.2296933), wk = 0.0034722 k( 212) = ( 0.5706967 -0.1920626 -1.2296933), wk = 0.0034722 k( 213) = ( 0.5642697 -0.1641400 -1.2296933), wk = 0.0034722 k( 214) = ( 0.5578428 -0.1362175 -1.2296933), wk = 0.0034722 k( 215) = ( 0.5514158 -0.1082949 -1.2296933), wk = 0.0034722 k( 216) = ( 0.5449888 -0.0803724 -1.2296933), wk = 0.0034722 k( 217) = ( 0.5385618 -0.0524498 -1.2296933), wk = 0.0034722 k( 218) = ( 0.5321349 -0.0245272 -1.2296933), wk = 0.0034722 k( 219) = ( 0.5257079 0.0033954 -1.2296933), wk = 0.0034722 k( 220) = ( 0.5192809 0.0313179 -1.2296933), wk = 0.0034722 k( 221) = ( 0.5128539 0.0592405 -1.2296933), wk = 0.0034722 k( 222) = ( 0.5064270 0.0871631 -1.2296933), wk = 0.0034722 k( 223) = ( 0.5000000 0.1150856 -1.2296933), wk = 0.0034722 k( 224) = ( 0.5000000 0.1150856 -1.2296933), wk = 0.0034722 k( 225) = ( 0.5229535 0.1203689 -1.2198658), wk = 0.0034722 k( 226) = ( 0.5459070 0.1256521 -1.2100384), wk = 0.0034722 k( 227) = ( 0.5688604 0.1309353 -1.2002109), wk = 0.0034722 k( 228) = ( 0.5918139 0.1362185 -1.1903835), wk = 0.0034722 k( 229) = ( 0.6147674 0.1415018 -1.1805560), wk = 0.0034722 k( 230) = ( 0.6377208 0.1467850 -1.1707286), wk = 0.0034722 k( 231) = ( 0.6606743 0.1520682 -1.1609011), wk = 0.0034722 k( 232) = ( 0.6606743 0.1520682 -1.1609011), wk = 0.0034722 k( 233) = ( 0.6569377 0.1512082 -1.1323036), wk = 0.0034722 k( 234) = ( 0.6532011 0.1503481 -1.1037060), wk = 0.0034722 k( 235) = ( 0.6494645 0.1494881 -1.0751085), wk = 0.0034722 k( 236) = ( 0.6457279 0.1486280 -1.0465110), wk = 0.0034722 k( 237) = ( 0.6419913 0.1477679 -1.0179135), wk = 0.0034722 k( 238) = ( 0.6382546 0.1469079 -0.9893160), wk = 0.0034722 k( 239) = ( 0.6345180 0.1460478 -0.9607184), wk = 0.0034722 k( 240) = ( 0.6307814 0.1451878 -0.9321209), wk = 0.0034722 k( 241) = ( 0.6270448 0.1443277 -0.9035234), wk = 0.0034722 k( 242) = ( 0.6233082 0.1434676 -0.8749259), wk = 0.0034722 k( 243) = ( 0.6195716 0.1426076 -0.8463284), wk = 0.0034722 k( 244) = ( 0.6158350 0.1417475 -0.8177309), wk = 0.0034722 k( 245) = ( 0.6120984 0.1408874 -0.7891333), wk = 0.0034722 k( 246) = ( 0.6083617 0.1400274 -0.7605358), wk = 0.0034722 k( 247) = ( 0.6046251 0.1391673 -0.7319383), wk = 0.0034722 k( 248) = ( 0.6008885 0.1383073 -0.7033408), wk = 0.0034722 k( 249) = ( 0.5971519 0.1374472 -0.6747433), wk = 0.0034722 k( 250) = ( 0.5934153 0.1365871 -0.6461457), wk = 0.0034722 k( 251) = ( 0.5896787 0.1357271 -0.6175482), wk = 0.0034722 k( 252) = ( 0.5859421 0.1348670 -0.5889507), wk = 0.0034722 k( 253) = ( 0.5822055 0.1340070 -0.5603532), wk = 0.0034722 k( 254) = ( 0.5784689 0.1331469 -0.5317557), wk = 0.0034722 k( 255) = ( 0.5747322 0.1322868 -0.5031581), wk = 0.0034722 k( 256) = ( 0.5709956 0.1314268 -0.4745606), wk = 0.0034722 k( 257) = ( 0.5672590 0.1305667 -0.4459631), wk = 0.0034722 k( 258) = ( 0.5635224 0.1297067 -0.4173656), wk = 0.0034722 k( 259) = ( 0.5597858 0.1288466 -0.3887681), wk = 0.0034722 k( 260) = ( 0.5560492 0.1279865 -0.3601706), wk = 0.0034722 k( 261) = ( 0.5523126 0.1271265 -0.3315730), wk = 0.0034722 k( 262) = ( 0.5485760 0.1262664 -0.3029755), wk = 0.0034722 k( 263) = ( 0.5448393 0.1254064 -0.2743780), wk = 0.0034722 k( 264) = ( 0.5411027 0.1245463 -0.2457805), wk = 0.0034722 k( 265) = ( 0.5373661 0.1236862 -0.2171830), wk = 0.0034722 k( 266) = ( 0.5336295 0.1228262 -0.1885855), wk = 0.0034722 k( 267) = ( 0.5298929 0.1219661 -0.1599879), wk = 0.0034722 k( 268) = ( 0.5261563 0.1211061 -0.1313904), wk = 0.0034722 k( 269) = ( 0.5224197 0.1202460 -0.1027929), wk = 0.0034722 k( 270) = ( 0.5186831 0.1193859 -0.0741954), wk = 0.0034722 k( 271) = ( 0.5149464 0.1185259 -0.0455979), wk = 0.0034722 k( 272) = ( 0.5112098 0.1176658 -0.0170004), wk = 0.0034722 k( 273) = ( 0.5074732 0.1168057 0.0115972), wk = 0.0034722 k( 274) = ( 0.5037366 0.1159457 0.0401947), wk = 0.0034722 k( 275) = ( 0.5000000 0.1150856 0.0687922), wk = 0.0034722 k( 276) = ( 0.5000000 -1.0286050 -0.6148466), wk = 0.0034722 k( 277) = ( 0.5267791 -1.0190145 -0.6091140), wk = 0.0034722 k( 278) = ( 0.5535581 -1.0094240 -0.6033813), wk = 0.0034722 k( 279) = ( 0.5803371 -0.9998336 -0.5976486), wk = 0.0034722 k( 280) = ( 0.6071162 -0.9902431 -0.5919159), wk = 0.0034722 k( 281) = ( 0.6338953 -0.9806526 -0.5861832), wk = 0.0034722 k( 282) = ( 0.6606743 -0.9710622 -0.5804505), wk = 0.0034722 k( 283) = ( 0.6874534 -0.9614717 -0.5747178), wk = 0.0034722 k( 284) = ( 0.7142324 -0.9518812 -0.5689852), wk = 0.0034722 k( 285) = ( 0.7410115 -0.9422907 -0.5632525), wk = 0.0034722 k( 286) = ( 0.7677905 -0.9327003 -0.5575198), wk = 0.0034722 k( 287) = ( 0.7945696 -0.9231098 -0.5517871), wk = 0.0034722 k( 288) = ( 0.8213486 -0.9135193 -0.5460544), wk = 0.0034722 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 2) = ( 0.0111111 -0.0000000 -0.0000000), wk = 0.0034722 k( 3) = ( 0.0222222 -0.0000000 -0.0000000), wk = 0.0034722 k( 4) = ( 0.0333333 -0.0000000 -0.0000000), wk = 0.0034722 k( 5) = ( 0.0444444 -0.0000000 -0.0000000), wk = 0.0034722 k( 6) = ( 0.0555556 -0.0000000 -0.0000000), wk = 0.0034722 k( 7) = ( 0.0666667 -0.0000000 -0.0000000), wk = 0.0034722 k( 8) = ( 0.0777778 -0.0000000 -0.0000000), wk = 0.0034722 k( 9) = ( 0.0888889 -0.0000000 -0.0000000), wk = 0.0034722 k( 10) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0034722 k( 11) = ( 0.1111111 -0.0000000 -0.0000000), wk = 0.0034722 k( 12) = ( 0.1222222 -0.0000000 -0.0000000), wk = 0.0034722 k( 13) = ( 0.1333333 -0.0000000 -0.0000000), wk = 0.0034722 k( 14) = ( 0.1444444 -0.0000000 -0.0000000), wk = 0.0034722 k( 15) = ( 0.1555556 -0.0000000 -0.0000000), wk = 0.0034722 k( 16) = ( 0.1666667 -0.0000000 0.0000000), wk = 0.0034722 k( 17) = ( 0.1777778 -0.0000000 -0.0000000), wk = 0.0034722 k( 18) = ( 0.1888889 -0.0000000 -0.0000000), wk = 0.0034722 k( 19) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0034722 k( 20) = ( 0.2111111 -0.0000000 -0.0000000), wk = 0.0034722 k( 21) = ( 0.2222222 -0.0000000 -0.0000000), wk = 0.0034722 k( 22) = ( 0.2333333 -0.0000000 0.0000000), wk = 0.0034722 k( 23) = ( 0.2444444 -0.0000000 -0.0000000), wk = 0.0034722 k( 24) = ( 0.2555556 -0.0000000 -0.0000000), wk = 0.0034722 k( 25) = ( 0.2666667 -0.0000000 -0.0000000), wk = 0.0034722 k( 26) = ( 0.2777778 -0.0000000 -0.0000000), wk = 0.0034722 k( 27) = ( 0.2888889 -0.0000000 -0.0000000), wk = 0.0034722 k( 28) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0034722 k( 29) = ( 0.3111111 -0.0000000 -0.0000000), wk = 0.0034722 k( 30) = ( 0.3222222 -0.0000000 -0.0000000), wk = 0.0034722 k( 31) = ( 0.3333333 -0.0000000 -0.0000000), wk = 0.0034722 k( 32) = ( 0.3444444 -0.0000000 -0.0000000), wk = 0.0034722 k( 33) = ( 0.3555556 -0.0000000 -0.0000000), wk = 0.0034722 k( 34) = ( 0.3666667 -0.0000000 -0.0000000), wk = 0.0034722 k( 35) = ( 0.3777778 -0.0000000 -0.0000000), wk = 0.0034722 k( 36) = ( 0.3888889 -0.0000000 -0.0000000), wk = 0.0034722 k( 37) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0034722 k( 38) = ( 0.4111111 -0.0000000 -0.0000000), wk = 0.0034722 k( 39) = ( 0.4222222 -0.0000000 -0.0000000), wk = 0.0034722 k( 40) = ( 0.4333333 -0.0000000 -0.0000000), wk = 0.0034722 k( 41) = ( 0.4444444 -0.0000000 -0.0000000), wk = 0.0034722 k( 42) = ( 0.4555556 -0.0000000 -0.0000000), wk = 0.0034722 k( 43) = ( 0.4666667 -0.0000000 -0.0000000), wk = 0.0034722 k( 44) = ( 0.4777778 -0.0000000 -0.0000000), wk = 0.0034722 k( 45) = ( 0.4888889 -0.0000000 -0.0000000), wk = 0.0034722 k( 46) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034722 k( 47) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034722 k( 48) = ( 0.5000000 0.0063804 -0.0063804), wk = 0.0034722 k( 49) = ( 0.5000000 0.0127608 -0.0127608), wk = 0.0034722 k( 50) = ( 0.5000000 0.0191412 -0.0191412), wk = 0.0034722 k( 51) = ( 0.5000000 0.0255216 -0.0255216), wk = 0.0034722 k( 52) = ( 0.5000000 0.0319020 -0.0319020), wk = 0.0034722 k( 53) = ( 0.5000000 0.0382824 -0.0382824), wk = 0.0034722 k( 54) = ( 0.5000000 0.0446628 -0.0446629), wk = 0.0034722 k( 55) = ( 0.5000000 0.0510432 -0.0510433), wk = 0.0034722 k( 56) = ( 0.5000000 0.0574237 -0.0574237), wk = 0.0034722 k( 57) = ( 0.5000000 0.0638041 -0.0638041), wk = 0.0034722 k( 58) = ( 0.5000000 0.0701845 -0.0701845), wk = 0.0034722 k( 59) = ( 0.5000000 0.0765649 -0.0765649), wk = 0.0034722 k( 60) = ( 0.5000000 0.0829453 -0.0829453), wk = 0.0034722 k( 61) = ( 0.5000000 0.0893257 -0.0893257), wk = 0.0034722 k( 62) = ( 0.5000000 0.0957061 -0.0957061), wk = 0.0034722 k( 63) = ( 0.5000000 0.1020865 -0.1020865), wk = 0.0034722 k( 64) = ( 0.5000000 0.1084669 -0.1084669), wk = 0.0034722 k( 65) = ( 0.5000000 0.1148473 -0.1148473), wk = 0.0034722 k( 66) = ( 0.5000000 0.1212277 -0.1212277), wk = 0.0034722 k( 67) = ( 0.5000000 0.1276081 -0.1276081), wk = 0.0034722 k( 68) = ( 0.5000000 0.1339885 -0.1339885), wk = 0.0034722 k( 69) = ( 0.5000000 0.1403689 -0.1403689), wk = 0.0034722 k( 70) = ( 0.5000000 0.1467493 -0.1467494), wk = 0.0034722 k( 71) = ( 0.5000000 0.1531298 -0.1531297), wk = 0.0034722 k( 72) = ( 0.5000000 0.1595102 -0.1595102), wk = 0.0034722 k( 73) = ( 0.5000000 0.1658906 -0.1658906), wk = 0.0034722 k( 74) = ( 0.5000000 0.1722710 -0.1722710), wk = 0.0034722 k( 75) = ( 0.5000000 0.1786514 -0.1786514), wk = 0.0034722 k( 76) = ( 0.8213486 0.5000000 0.1786514), wk = 0.0034722 k( 77) = ( 0.8147905 0.5000000 0.1852095), wk = 0.0034722 k( 78) = ( 0.8082324 0.5000000 0.1917676), wk = 0.0034722 k( 79) = ( 0.8016742 0.5000000 0.1983258), wk = 0.0034722 k( 80) = ( 0.7951161 0.5000000 0.2048839), wk = 0.0034722 k( 81) = ( 0.7885579 0.5000000 0.2114421), wk = 0.0034722 k( 82) = ( 0.7819998 0.5000000 0.2180002), wk = 0.0034722 k( 83) = ( 0.7754417 0.5000000 0.2245583), wk = 0.0034722 k( 84) = ( 0.7688835 0.5000000 0.2311165), wk = 0.0034722 k( 85) = ( 0.7623254 0.5000000 0.2376746), wk = 0.0034722 k( 86) = ( 0.7557673 0.5000000 0.2442327), wk = 0.0034722 k( 87) = ( 0.7492091 0.5000000 0.2507909), wk = 0.0034722 k( 88) = ( 0.7426510 0.5000000 0.2573490), wk = 0.0034722 k( 89) = ( 0.7360929 0.5000000 0.2639071), wk = 0.0034722 k( 90) = ( 0.7295347 0.5000000 0.2704653), wk = 0.0034722 k( 91) = ( 0.7229766 0.5000000 0.2770234), wk = 0.0034722 k( 92) = ( 0.7164185 0.5000000 0.2835815), wk = 0.0034722 k( 93) = ( 0.7098603 0.5000000 0.2901397), wk = 0.0034722 k( 94) = ( 0.7033022 0.5000000 0.2966978), wk = 0.0034722 k( 95) = ( 0.6967440 0.5000000 0.3032559), wk = 0.0034722 k( 96) = ( 0.6901859 0.5000000 0.3098141), wk = 0.0034722 k( 97) = ( 0.6836278 0.5000000 0.3163722), wk = 0.0034722 k( 98) = ( 0.6770696 0.5000000 0.3229303), wk = 0.0034722 k( 99) = ( 0.6705115 0.5000000 0.3294885), wk = 0.0034722 k( 100) = ( 0.6639534 0.5000000 0.3360466), wk = 0.0034722 k( 101) = ( 0.6573952 0.5000000 0.3426048), wk = 0.0034722 k( 102) = ( 0.6508371 0.5000000 0.3491629), wk = 0.0034722 k( 103) = ( 0.6442790 0.5000000 0.3557210), wk = 0.0034722 k( 104) = ( 0.6377208 0.5000000 0.3622792), wk = 0.0034722 k( 105) = ( 0.6311627 0.5000000 0.3688373), wk = 0.0034722 k( 106) = ( 0.6246046 0.5000000 0.3753954), wk = 0.0034722 k( 107) = ( 0.6180464 0.5000000 0.3819536), wk = 0.0034722 k( 108) = ( 0.6114883 0.5000000 0.3885117), wk = 0.0034722 k( 109) = ( 0.6049302 0.5000000 0.3950698), wk = 0.0034722 k( 110) = ( 0.5983720 0.5000000 0.4016280), wk = 0.0034722 k( 111) = ( 0.5918139 0.5000000 0.4081861), wk = 0.0034722 k( 112) = ( 0.5852558 0.5000000 0.4147442), wk = 0.0034722 k( 113) = ( 0.5786976 0.5000000 0.4213024), wk = 0.0034722 k( 114) = ( 0.5721395 0.5000000 0.4278605), wk = 0.0034722 k( 115) = ( 0.5655813 0.5000000 0.4344186), wk = 0.0034722 k( 116) = ( 0.5590232 0.5000000 0.4409768), wk = 0.0034722 k( 117) = ( 0.5524651 0.5000000 0.4475349), wk = 0.0034722 k( 118) = ( 0.5459070 0.5000000 0.4540930), wk = 0.0034722 k( 119) = ( 0.5393488 0.5000000 0.4606512), wk = 0.0034722 k( 120) = ( 0.5327907 0.5000000 0.4672093), wk = 0.0034722 k( 121) = ( 0.5262325 0.5000000 0.4737675), wk = 0.0034722 k( 122) = ( 0.5196744 0.5000000 0.4803256), wk = 0.0034722 k( 123) = ( 0.5131163 0.5000000 0.4868837), wk = 0.0034722 k( 124) = ( 0.5065581 0.5000000 0.4934419), wk = 0.0034722 k( 125) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034722 k( 126) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034722 k( 127) = ( 0.4722222 0.4722222 0.4722222), wk = 0.0034722 k( 128) = ( 0.4444444 0.4444444 0.4444444), wk = 0.0034722 k( 129) = ( 0.4166667 0.4166667 0.4166667), wk = 0.0034722 k( 130) = ( 0.3888889 0.3888889 0.3888889), wk = 0.0034722 k( 131) = ( 0.3611111 0.3611111 0.3611111), wk = 0.0034722 k( 132) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0034722 k( 133) = ( 0.3055556 0.3055556 0.3055556), wk = 0.0034722 k( 134) = ( 0.2777778 0.2777778 0.2777778), wk = 0.0034722 k( 135) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034722 k( 136) = ( 0.2222222 0.2222222 0.2222222), wk = 0.0034722 k( 137) = ( 0.1944444 0.1944444 0.1944444), wk = 0.0034722 k( 138) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0034722 k( 139) = ( 0.1388889 0.1388889 0.1388889), wk = 0.0034722 k( 140) = ( 0.1111111 0.1111111 0.1111111), wk = 0.0034722 k( 141) = ( 0.0833333 0.0833333 0.0833333), wk = 0.0034722 k( 142) = ( 0.0555556 0.0555556 0.0555556), wk = 0.0034722 k( 143) = ( 0.0277778 0.0277778 0.0277778), wk = 0.0034722 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 145) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034722 k( 146) = ( 0.0065255 -0.0000000 -0.0065255), wk = 0.0034722 k( 147) = ( 0.0130510 -0.0000000 -0.0130510), wk = 0.0034722 k( 148) = ( 0.0195765 -0.0000000 -0.0195765), wk = 0.0034722 k( 149) = ( 0.0261020 -0.0000000 -0.0261020), wk = 0.0034722 k( 150) = ( 0.0326275 -0.0000000 -0.0326275), wk = 0.0034722 k( 151) = ( 0.0391530 -0.0000000 -0.0391530), wk = 0.0034722 k( 152) = ( 0.0456785 -0.0000000 -0.0456785), wk = 0.0034722 k( 153) = ( 0.0522039 -0.0000000 -0.0522040), wk = 0.0034722 k( 154) = ( 0.0587295 -0.0000000 -0.0587295), wk = 0.0034722 k( 155) = ( 0.0652549 -0.0000000 -0.0652549), wk = 0.0034722 k( 156) = ( 0.0717804 -0.0000000 -0.0717804), wk = 0.0034722 k( 157) = ( 0.0783059 -0.0000000 -0.0783059), wk = 0.0034722 k( 158) = ( 0.0848314 -0.0000000 -0.0848314), wk = 0.0034722 k( 159) = ( 0.0913569 -0.0000000 -0.0913569), wk = 0.0034722 k( 160) = ( 0.0978824 -0.0000000 -0.0978824), wk = 0.0034722 k( 161) = ( 0.1044079 -0.0000000 -0.1044079), wk = 0.0034722 k( 162) = ( 0.1109334 -0.0000000 -0.1109334), wk = 0.0034722 k( 163) = ( 0.1174589 -0.0000000 -0.1174589), wk = 0.0034722 k( 164) = ( 0.1239844 -0.0000000 -0.1239844), wk = 0.0034722 k( 165) = ( 0.1305099 -0.0000000 -0.1305099), wk = 0.0034722 k( 166) = ( 0.1370354 0.0000000 -0.1370354), wk = 0.0034722 k( 167) = ( 0.1435609 0.0000000 -0.1435609), wk = 0.0034722 k( 168) = ( 0.1500864 0.0000000 -0.1500864), wk = 0.0034722 k( 169) = ( 0.1566119 -0.0000000 -0.1566119), wk = 0.0034722 k( 170) = ( 0.1631373 -0.0000000 -0.1631373), wk = 0.0034722 k( 171) = ( 0.1696629 -0.0000000 -0.1696629), wk = 0.0034722 k( 172) = ( 0.1761883 -0.0000000 -0.1761883), wk = 0.0034722 k( 173) = ( 0.1827138 -0.0000000 -0.1827138), wk = 0.0034722 k( 174) = ( 0.1892393 -0.0000000 -0.1892393), wk = 0.0034722 k( 175) = ( 0.1957648 -0.0000000 -0.1957648), wk = 0.0034722 k( 176) = ( 0.2022903 -0.0000000 -0.2022903), wk = 0.0034722 k( 177) = ( 0.2088158 -0.0000000 -0.2088158), wk = 0.0034722 k( 178) = ( 0.2153413 -0.0000000 -0.2153413), wk = 0.0034722 k( 179) = ( 0.2218668 -0.0000000 -0.2218668), wk = 0.0034722 k( 180) = ( 0.2283923 -0.0000000 -0.2283923), wk = 0.0034722 k( 181) = ( 0.2349178 -0.0000000 -0.2349178), wk = 0.0034722 k( 182) = ( 0.2414433 -0.0000000 -0.2414433), wk = 0.0034722 k( 183) = ( 0.2479688 -0.0000000 -0.2479688), wk = 0.0034722 k( 184) = ( 0.2544943 -0.0000000 -0.2544943), wk = 0.0034722 k( 185) = ( 0.2610198 -0.0000000 -0.2610198), wk = 0.0034722 k( 186) = ( 0.2675453 -0.0000000 -0.2675453), wk = 0.0034722 k( 187) = ( 0.2740707 -0.0000000 -0.2740707), wk = 0.0034722 k( 188) = ( 0.2805962 -0.0000000 -0.2805962), wk = 0.0034722 k( 189) = ( 0.2871217 0.0000000 -0.2871217), wk = 0.0034722 k( 190) = ( 0.2936472 -0.0000000 -0.2936472), wk = 0.0034722 k( 191) = ( 0.3001727 -0.0000000 -0.3001727), wk = 0.0034722 k( 192) = ( 0.3066982 -0.0000000 -0.3066982), wk = 0.0034722 k( 193) = ( 0.3132237 -0.0000000 -0.3132237), wk = 0.0034722 k( 194) = ( 0.3197492 -0.0000000 -0.3197492), wk = 0.0034722 k( 195) = ( 0.3262747 -0.0000000 -0.3262747), wk = 0.0034722 k( 196) = ( 0.3328002 0.0000000 -0.3328002), wk = 0.0034722 k( 197) = ( 0.3393257 -0.0000000 -0.3393257), wk = 0.0034722 k( 198) = ( 0.6606743 0.3393257 -0.0000000), wk = 0.0034722 k( 199) = ( 0.6542473 0.3457527 0.0000000), wk = 0.0034722 k( 200) = ( 0.6478204 0.3521796 -0.0000000), wk = 0.0034722 k( 201) = ( 0.6413934 0.3586066 0.0000000), wk = 0.0034722 k( 202) = ( 0.6349664 0.3650336 -0.0000000), wk = 0.0034722 k( 203) = ( 0.6285394 0.3714605 -0.0000000), wk = 0.0034722 k( 204) = ( 0.6221125 0.3778875 0.0000000), wk = 0.0034722 k( 205) = ( 0.6156855 0.3843145 -0.0000000), wk = 0.0034722 k( 206) = ( 0.6092585 0.3907415 -0.0000000), wk = 0.0034722 k( 207) = ( 0.6028316 0.3971684 -0.0000000), wk = 0.0034722 k( 208) = ( 0.5964046 0.4035954 -0.0000000), wk = 0.0034722 k( 209) = ( 0.5899776 0.4100224 -0.0000000), wk = 0.0034722 k( 210) = ( 0.5835506 0.4164494 -0.0000000), wk = 0.0034722 k( 211) = ( 0.5771237 0.4228763 -0.0000000), wk = 0.0034722 k( 212) = ( 0.5706967 0.4293033 0.0000000), wk = 0.0034722 k( 213) = ( 0.5642697 0.4357303 -0.0000000), wk = 0.0034722 k( 214) = ( 0.5578428 0.4421572 -0.0000000), wk = 0.0034722 k( 215) = ( 0.5514158 0.4485842 -0.0000000), wk = 0.0034722 k( 216) = ( 0.5449888 0.4550112 -0.0000000), wk = 0.0034722 k( 217) = ( 0.5385618 0.4614382 -0.0000000), wk = 0.0034722 k( 218) = ( 0.5321349 0.4678651 -0.0000000), wk = 0.0034722 k( 219) = ( 0.5257079 0.4742921 -0.0000000), wk = 0.0034722 k( 220) = ( 0.5192809 0.4807191 -0.0000000), wk = 0.0034722 k( 221) = ( 0.5128539 0.4871461 0.0000000), wk = 0.0034722 k( 222) = ( 0.5064270 0.4935730 -0.0000000), wk = 0.0034722 k( 223) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034722 k( 224) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0034722 k( 225) = ( 0.5229535 0.5229535 0.0255216), wk = 0.0034722 k( 226) = ( 0.5459070 0.5459069 0.0510432), wk = 0.0034722 k( 227) = ( 0.5688604 0.5688604 0.0765649), wk = 0.0034722 k( 228) = ( 0.5918139 0.5918139 0.1020865), wk = 0.0034722 k( 229) = ( 0.6147674 0.6147674 0.1276081), wk = 0.0034722 k( 230) = ( 0.6377208 0.6377208 0.1531297), wk = 0.0034722 k( 231) = ( 0.6606743 0.6606743 0.1786514), wk = 0.0034722 k( 232) = ( 0.6606743 0.6606743 0.1786514), wk = 0.0034722 k( 233) = ( 0.6569377 0.6569377 0.1861246), wk = 0.0034722 k( 234) = ( 0.6532011 0.6532011 0.1935978), wk = 0.0034722 k( 235) = ( 0.6494645 0.6494645 0.2010711), wk = 0.0034722 k( 236) = ( 0.6457279 0.6457279 0.2085443), wk = 0.0034722 k( 237) = ( 0.6419913 0.6419912 0.2160175), wk = 0.0034722 k( 238) = ( 0.6382546 0.6382546 0.2234907), wk = 0.0034722 k( 239) = ( 0.6345180 0.6345180 0.2309640), wk = 0.0034722 k( 240) = ( 0.6307814 0.6307814 0.2384372), wk = 0.0034722 k( 241) = ( 0.6270448 0.6270448 0.2459104), wk = 0.0034722 k( 242) = ( 0.6233082 0.6233082 0.2533836), wk = 0.0034722 k( 243) = ( 0.6195716 0.6195716 0.2608568), wk = 0.0034722 k( 244) = ( 0.6158350 0.6158350 0.2683301), wk = 0.0034722 k( 245) = ( 0.6120984 0.6120984 0.2758033), wk = 0.0034722 k( 246) = ( 0.6083617 0.6083617 0.2832765), wk = 0.0034722 k( 247) = ( 0.6046251 0.6046251 0.2907497), wk = 0.0034722 k( 248) = ( 0.6008885 0.6008885 0.2982230), wk = 0.0034722 k( 249) = ( 0.5971519 0.5971519 0.3056962), wk = 0.0034722 k( 250) = ( 0.5934153 0.5934153 0.3131694), wk = 0.0034722 k( 251) = ( 0.5896787 0.5896787 0.3206426), wk = 0.0034722 k( 252) = ( 0.5859421 0.5859421 0.3281158), wk = 0.0034722 k( 253) = ( 0.5822055 0.5822055 0.3355891), wk = 0.0034722 k( 254) = ( 0.5784689 0.5784688 0.3430623), wk = 0.0034722 k( 255) = ( 0.5747322 0.5747322 0.3505355), wk = 0.0034722 k( 256) = ( 0.5709956 0.5709956 0.3580087), wk = 0.0034722 k( 257) = ( 0.5672590 0.5672590 0.3654820), wk = 0.0034722 k( 258) = ( 0.5635224 0.5635224 0.3729552), wk = 0.0034722 k( 259) = ( 0.5597858 0.5597858 0.3804284), wk = 0.0034722 k( 260) = ( 0.5560492 0.5560492 0.3879016), wk = 0.0034722 k( 261) = ( 0.5523126 0.5523126 0.3953749), wk = 0.0034722 k( 262) = ( 0.5485760 0.5485760 0.4028481), wk = 0.0034722 k( 263) = ( 0.5448393 0.5448393 0.4103213), wk = 0.0034722 k( 264) = ( 0.5411027 0.5411027 0.4177945), wk = 0.0034722 k( 265) = ( 0.5373661 0.5373661 0.4252678), wk = 0.0034722 k( 266) = ( 0.5336295 0.5336295 0.4327410), wk = 0.0034722 k( 267) = ( 0.5298929 0.5298929 0.4402142), wk = 0.0034722 k( 268) = ( 0.5261563 0.5261563 0.4476874), wk = 0.0034722 k( 269) = ( 0.5224197 0.5224197 0.4551607), wk = 0.0034722 k( 270) = ( 0.5186831 0.5186831 0.4626339), wk = 0.0034722 k( 271) = ( 0.5149464 0.5149464 0.4701071), wk = 0.0034722 k( 272) = ( 0.5112098 0.5112098 0.4775803), wk = 0.0034722 k( 273) = ( 0.5074732 0.5074732 0.4850535), wk = 0.0034722 k( 274) = ( 0.5037366 0.5037366 0.4925268), wk = 0.0034722 k( 275) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0034722 k( 276) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0034722 k( 277) = ( 0.5267791 0.0282771 0.0282771), wk = 0.0034722 k( 278) = ( 0.5535581 0.0565543 0.0565543), wk = 0.0034722 k( 279) = ( 0.5803371 0.0848314 0.0848314), wk = 0.0034722 k( 280) = ( 0.6071162 0.1131086 0.1131086), wk = 0.0034722 k( 281) = ( 0.6338953 0.1413857 0.1413857), wk = 0.0034722 k( 282) = ( 0.6606743 0.1696628 0.1696629), wk = 0.0034722 k( 283) = ( 0.6874534 0.1979400 0.1979400), wk = 0.0034722 k( 284) = ( 0.7142324 0.2262171 0.2262171), wk = 0.0034722 k( 285) = ( 0.7410115 0.2544943 0.2544943), wk = 0.0034722 k( 286) = ( 0.7677905 0.2827714 0.2827714), wk = 0.0034722 k( 287) = ( 0.7945696 0.3110485 0.3110486), wk = 0.0034722 k( 288) = ( 0.8213486 0.3393257 0.3393257), wk = 0.0034722 Dense grid: 48283 G-vectors FFT dimensions: ( 81, 81, 81) Smooth grid: 31707 G-vectors FFT dimensions: ( 72, 72, 72) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.18 Mb ( 224, 52) NL pseudopotentials 0.29 Mb ( 112, 170) Each V/rho on FFT grid 0.30 Mb ( 19683) Each G-vector array 0.01 Mb ( 1342) G-vector shells 0.01 Mb ( 1142) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.71 Mb ( 224, 208) Each subspace H/S matrix 0.04 Mb ( 52, 52) Each matrix 0.27 Mb ( 170, 2, 52) The potential is recalculated from file : ./In2Te3.save/charge-density.dat Starting wfc are 60 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 3.6 secs Computing kpt #: 2 total cpu time spent up to now is 4.5 secs Computing kpt #: 3 total cpu time spent up to now is 5.4 secs Computing kpt #: 4 total cpu time spent up to now is 6.2 secs Computing kpt #: 5 total cpu time spent up to now is 7.1 secs Computing kpt #: 6 total cpu time spent up to now is 8.0 secs Computing kpt #: 7 total cpu time spent up to now is 8.9 secs Computing kpt #: 8 total cpu time spent up to now is 9.7 secs Computing kpt #: 9 total cpu time spent up to now is 10.6 secs Computing kpt #: 10 total cpu time spent up to now is 11.4 secs Computing kpt #: 11 total cpu time spent up to now is 12.2 secs Computing kpt #: 12 total cpu time spent up to now is 13.1 secs Computing kpt #: 13 total cpu time spent up to now is 13.9 secs Computing kpt #: 14 total cpu time spent up to now is 14.8 secs Computing kpt #: 15 total cpu time spent up to now is 15.7 secs Computing kpt #: 16 total cpu time spent up to now is 16.7 secs Computing kpt #: 17 total cpu time spent up to now is 17.7 secs Computing kpt #: 18 total cpu time spent up to now is 18.7 secs Computing kpt #: 19 total cpu time spent up to now is 19.6 secs Computing kpt #: 20 total cpu time spent up to now is 20.9 secs Computing kpt #: 21 total cpu time spent up to now is 21.8 secs Computing kpt #: 22 total cpu time spent up to now is 22.7 secs Computing kpt #: 23 total cpu time spent up to now is 23.6 secs Computing kpt #: 24 total cpu time spent up to now is 24.4 secs Computing kpt #: 25 total cpu time spent up to now is 25.3 secs Computing kpt #: 26 total cpu time spent up to now is 26.1 secs Computing kpt #: 27 total cpu time spent up to now is 26.9 secs Computing kpt #: 28 total cpu time spent up to now is 27.7 secs Computing kpt #: 29 total cpu time spent up to now is 28.5 secs Computing kpt #: 30 total cpu time spent up to now is 29.4 secs Computing kpt #: 31 total cpu time spent up to now is 30.2 secs Computing kpt #: 32 total cpu time spent up to now is 31.0 secs Computing kpt #: 33 total cpu time spent up to now is 31.8 secs Computing kpt #: 34 total cpu time spent up to now is 32.6 secs Computing kpt #: 35 total cpu time spent up to now is 33.4 secs Computing kpt #: 36 total cpu time spent up to now is 34.2 secs Computing kpt #: 37 total cpu time spent up to now is 35.0 secs Computing kpt #: 38 total cpu time spent up to now is 36.0 secs Computing kpt #: 39 total cpu time spent up to now is 36.8 secs Computing kpt #: 40 total cpu time spent up to now is 37.5 secs Computing kpt #: 41 total cpu time spent up to now is 38.3 secs Computing kpt #: 42 total cpu time spent up to now is 39.0 secs Computing kpt #: 43 total cpu time spent up to now is 39.7 secs Computing kpt #: 44 total cpu time spent up to now is 40.4 secs Computing kpt #: 45 total cpu time spent up to now is 41.2 secs Computing kpt #: 46 total cpu time spent up to now is 41.9 secs Computing kpt #: 47 total cpu time spent up to now is 42.6 secs Computing kpt #: 48 total cpu time spent up to now is 43.4 secs Computing kpt #: 49 total cpu time spent up to now is 44.1 secs Computing kpt #: 50 total cpu time spent up to now is 44.9 secs Computing kpt #: 51 total cpu time spent up to now is 45.7 secs Computing kpt #: 52 total cpu time spent up to now is 46.5 secs Computing kpt #: 53 total cpu time spent up to now is 47.2 secs Computing kpt #: 54 total cpu time spent up to now is 48.0 secs Computing kpt #: 55 total cpu time spent up to now is 48.8 secs Computing kpt #: 56 total cpu time spent up to now is 49.5 secs Computing kpt #: 57 total cpu time spent up to now is 50.3 secs Computing kpt #: 58 total cpu time spent up to now is 51.1 secs Computing kpt #: 59 total cpu time spent up to now is 52.0 secs Computing kpt #: 60 total cpu time spent up to now is 52.9 secs Computing kpt #: 61 total cpu time spent up to now is 53.8 secs Computing kpt #: 62 total cpu time spent up to now is 54.7 secs Computing kpt #: 63 total cpu time spent up to now is 55.6 secs Computing kpt #: 64 total cpu time spent up to now is 56.5 secs Computing kpt #: 65 total cpu time spent up to now is 57.4 secs Computing kpt #: 66 total cpu time spent up to now is 58.3 secs Computing kpt #: 67 total cpu time spent up to now is 59.1 secs Computing kpt #: 68 total cpu time spent up to now is 59.8 secs Computing kpt #: 69 total cpu time spent up to now is 60.6 secs Computing kpt #: 70 total cpu time spent up to now is 61.4 secs Computing kpt #: 71 total cpu time spent up to now is 62.1 secs Computing kpt #: 72 total cpu time spent up to now is 62.9 secs Computing kpt #: 73 total cpu time spent up to now is 63.6 secs Computing kpt #: 74 total cpu time spent up to now is 64.4 secs Computing kpt #: 75 total cpu time spent up to now is 65.1 secs Computing kpt #: 76 total cpu time spent up to now is 65.9 secs Computing kpt #: 77 total cpu time spent up to now is 66.6 secs Computing kpt #: 78 total cpu time spent up to now is 67.4 secs Computing kpt #: 79 total cpu time spent up to now is 68.1 secs Computing kpt #: 80 total cpu time spent up to now is 68.8 secs Computing kpt #: 81 total cpu time spent up to now is 69.6 secs Computing kpt #: 82 total cpu time spent up to now is 70.3 secs Computing kpt #: 83 total cpu time spent up to now is 71.1 secs Computing kpt #: 84 total cpu time spent up to now is 71.9 secs Computing kpt #: 85 total cpu time spent up to now is 72.6 secs Computing kpt #: 86 total cpu time spent up to now is 73.4 secs Computing kpt #: 87 total cpu time spent up to now is 74.2 secs Computing kpt #: 88 total cpu time spent up to now is 74.9 secs Computing kpt #: 89 total cpu time spent up to now is 75.7 secs Computing kpt #: 90 total cpu time spent up to now is 76.5 secs Computing kpt #: 91 total cpu time spent up to now is 77.3 secs Computing kpt #: 92 total cpu time spent up to now is 78.1 secs Computing kpt #: 93 total cpu time spent up to now is 78.9 secs Computing kpt #: 94 total cpu time spent up to now is 79.7 secs Computing kpt #: 95 total cpu time spent up to now is 80.6 secs Computing kpt #: 96 total cpu time spent up to now is 81.6 secs Computing kpt #: 97 total cpu time spent up to now is 82.5 secs Computing kpt #: 98 total cpu time spent up to now is 83.4 secs Computing kpt #: 99 total cpu time spent up to now is 84.3 secs Computing kpt #: 100 total cpu time spent up to now is 85.3 secs Computing kpt #: 101 total cpu time spent up to now is 86.1 secs Computing kpt #: 102 total cpu time spent up to now is 86.9 secs Computing kpt #: 103 total cpu time spent up to now is 87.7 secs Computing kpt #: 104 total cpu time spent up to now is 88.5 secs Computing kpt #: 105 total cpu time spent up to now is 89.3 secs Computing kpt #: 106 total cpu time spent up to now is 90.2 secs Computing kpt #: 107 total cpu time spent up to now is 91.0 secs Computing kpt #: 108 total cpu time spent up to now is 91.8 secs Computing kpt #: 109 total cpu time spent up to now is 92.8 secs Computing kpt #: 110 total cpu time spent up to now is 93.7 secs Computing kpt #: 111 total cpu time spent up to now is 94.7 secs Computing kpt #: 112 total cpu time spent up to now is 95.6 secs Computing kpt #: 113 total cpu time spent up to now is 96.5 secs Computing kpt #: 114 total cpu time spent up to now is 97.3 secs Computing kpt #: 115 total cpu time spent up to now is 98.2 secs Computing kpt #: 116 total cpu time spent up to now is 99.1 secs Computing kpt #: 117 total cpu time spent up to now is 100.0 secs Computing kpt #: 118 total cpu time spent up to now is 100.8 secs Computing kpt #: 119 total cpu time spent up to now is 101.6 secs Computing kpt #: 120 total cpu time spent up to now is 102.5 secs Computing kpt #: 121 total cpu time spent up to now is 103.3 secs Computing kpt #: 122 total cpu time spent up to now is 104.2 secs Computing kpt #: 123 total cpu time spent up to now is 105.2 secs Computing kpt #: 124 total cpu time spent up to now is 106.2 secs Computing kpt #: 125 total cpu time spent up to now is 107.1 secs Computing kpt #: 126 total cpu time spent up to now is 108.1 secs Computing kpt #: 127 total cpu time spent up to now is 109.0 secs Computing kpt #: 128 total cpu time spent up to now is 110.0 secs Computing kpt #: 129 total cpu time spent up to now is 111.0 secs Computing kpt #: 130 total cpu time spent up to now is 111.9 secs Computing kpt #: 131 total cpu time spent up to now is 112.9 secs Computing kpt #: 132 total cpu time spent up to now is 113.9 secs Computing kpt #: 133 total cpu time spent up to now is 114.8 secs Computing kpt #: 134 total cpu time spent up to now is 115.8 secs Computing kpt #: 135 total cpu time spent up to now is 116.8 secs Computing kpt #: 136 total cpu time spent up to now is 117.7 secs Computing kpt #: 137 total cpu time spent up to now is 118.7 secs Computing kpt #: 138 total cpu time spent up to now is 119.7 secs Computing kpt #: 139 total cpu time spent up to now is 120.6 secs Computing kpt #: 140 total cpu time spent up to now is 121.6 secs Computing kpt #: 141 total cpu time spent up to now is 122.5 secs Computing kpt #: 142 total cpu time spent up to now is 123.5 secs Computing kpt #: 143 total cpu time spent up to now is 124.5 secs Computing kpt #: 144 total cpu time spent up to now is 125.4 secs Computing kpt #: 145 total cpu time spent up to now is 126.4 secs Computing kpt #: 146 total cpu time spent up to now is 127.3 secs Computing kpt #: 147 total cpu time spent up to now is 128.2 secs Computing kpt #: 148 total cpu time spent up to now is 129.0 secs Computing kpt #: 149 total cpu time spent up to now is 129.9 secs Computing kpt #: 150 total cpu time spent up to now is 130.8 secs Computing kpt #: 151 total cpu time spent up to now is 131.8 secs Computing kpt #: 152 total cpu time spent up to now is 132.6 secs Computing kpt #: 153 total cpu time spent up to now is 133.5 secs Computing kpt #: 154 total cpu time spent up to now is 134.3 secs Computing kpt #: 155 total cpu time spent up to now is 135.1 secs Computing kpt #: 156 total cpu time spent up to now is 136.0 secs Computing kpt #: 157 total cpu time spent up to now is 136.8 secs Computing kpt #: 158 total cpu time spent up to now is 137.8 secs Computing kpt #: 159 total cpu time spent up to now is 138.7 secs Computing kpt #: 160 total cpu time spent up to now is 139.6 secs Computing kpt #: 161 total cpu time spent up to now is 140.4 secs Computing kpt #: 162 total cpu time spent up to now is 141.2 secs Computing kpt #: 163 total cpu time spent up to now is 142.0 secs Computing kpt #: 164 total cpu time spent up to now is 142.9 secs Computing kpt #: 165 total cpu time spent up to now is 143.7 secs Computing kpt #: 166 total cpu time spent up to now is 144.5 secs Computing kpt #: 167 total cpu time spent up to now is 145.4 secs Computing kpt #: 168 total cpu time spent up to now is 146.4 secs Computing kpt #: 169 total cpu time spent up to now is 147.3 secs Computing kpt #: 170 total cpu time spent up to now is 148.2 secs Computing kpt #: 171 total cpu time spent up to now is 149.1 secs Computing kpt #: 172 total cpu time spent up to now is 150.1 secs Computing kpt #: 173 total cpu time spent up to now is 151.0 secs Computing kpt #: 174 total cpu time spent up to now is 151.9 secs Computing kpt #: 175 total cpu time spent up to now is 152.8 secs Computing kpt #: 176 total cpu time spent up to now is 153.8 secs Computing kpt #: 177 total cpu time spent up to now is 154.7 secs Computing kpt #: 178 total cpu time spent up to now is 155.6 secs Computing kpt #: 179 total cpu time spent up to now is 156.5 secs Computing kpt #: 180 total cpu time spent up to now is 157.5 secs Computing kpt #: 181 total cpu time spent up to now is 158.4 secs Computing kpt #: 182 total cpu time spent up to now is 159.4 secs Computing kpt #: 183 total cpu time spent up to now is 160.3 secs Computing kpt #: 184 total cpu time spent up to now is 161.3 secs Computing kpt #: 185 total cpu time spent up to now is 162.2 secs Computing kpt #: 186 total cpu time spent up to now is 163.2 secs Computing kpt #: 187 total cpu time spent up to now is 164.3 secs Computing kpt #: 188 total cpu time spent up to now is 165.4 secs Computing kpt #: 189 total cpu time spent up to now is 166.4 secs Computing kpt #: 190 total cpu time spent up to now is 167.5 secs Computing kpt #: 191 total cpu time spent up to now is 168.4 secs Computing kpt #: 192 total cpu time spent up to now is 169.3 secs Computing kpt #: 193 total cpu time spent up to now is 170.2 secs Computing kpt #: 194 total cpu time spent up to now is 171.1 secs Computing kpt #: 195 total cpu time spent up to now is 172.0 secs Computing kpt #: 196 total cpu time spent up to now is 172.9 secs Computing kpt #: 197 total cpu time spent up to now is 173.8 secs Computing kpt #: 198 total cpu time spent up to now is 174.5 secs Computing kpt #: 199 total cpu time spent up to now is 175.3 secs Computing kpt #: 200 total cpu time spent up to now is 176.1 secs Computing kpt #: 201 total cpu time spent up to now is 177.0 secs Computing kpt #: 202 total cpu time spent up to now is 177.8 secs Computing kpt #: 203 total cpu time spent up to now is 178.5 secs Computing kpt #: 204 total cpu time spent up to now is 179.3 secs Computing kpt #: 205 total cpu time spent up to now is 180.1 secs Computing kpt #: 206 total cpu time spent up to now is 180.9 secs Computing kpt #: 207 total cpu time spent up to now is 181.6 secs Computing kpt #: 208 total cpu time spent up to now is 182.4 secs Computing kpt #: 209 total cpu time spent up to now is 183.2 secs Computing kpt #: 210 total cpu time spent up to now is 183.9 secs Computing kpt #: 211 total cpu time spent up to now is 184.7 secs Computing kpt #: 212 total cpu time spent up to now is 185.6 secs Computing kpt #: 213 total cpu time spent up to now is 186.5 secs Computing kpt #: 214 total cpu time spent up to now is 187.4 secs Computing kpt #: 215 total cpu time spent up to now is 188.3 secs Computing kpt #: 216 total cpu time spent up to now is 189.2 secs Computing kpt #: 217 total cpu time spent up to now is 190.1 secs Computing kpt #: 218 total cpu time spent up to now is 190.9 secs Computing kpt #: 219 total cpu time spent up to now is 191.7 secs Computing kpt #: 220 total cpu time spent up to now is 192.5 secs Computing kpt #: 221 total cpu time spent up to now is 193.2 secs Computing kpt #: 222 total cpu time spent up to now is 194.0 secs Computing kpt #: 223 total cpu time spent up to now is 194.7 secs Computing kpt #: 224 total cpu time spent up to now is 195.4 secs Computing kpt #: 225 total cpu time spent up to now is 196.1 secs Computing kpt #: 226 total cpu time spent up to now is 196.9 secs Computing kpt #: 227 total cpu time spent up to now is 197.7 secs Computing kpt #: 228 total cpu time spent up to now is 198.7 secs Computing kpt #: 229 total cpu time spent up to now is 199.9 secs Computing kpt #: 230 total cpu time spent up to now is 200.8 secs Computing kpt #: 231 total cpu time spent up to now is 201.7 secs Computing kpt #: 232 total cpu time spent up to now is 202.6 secs Computing kpt #: 233 total cpu time spent up to now is 203.5 secs Computing kpt #: 234 total cpu time spent up to now is 204.5 secs Computing kpt #: 235 total cpu time spent up to now is 205.4 secs Computing kpt #: 236 total cpu time spent up to now is 206.3 secs Computing kpt #: 237 total cpu time spent up to now is 207.2 secs Computing kpt #: 238 total cpu time spent up to now is 208.1 secs Computing kpt #: 239 total cpu time spent up to now is 208.9 secs Computing kpt #: 240 total cpu time spent up to now is 209.8 secs Computing kpt #: 241 total cpu time spent up to now is 210.7 secs Computing kpt #: 242 total cpu time spent up to now is 211.6 secs Computing kpt #: 243 total cpu time spent up to now is 212.5 secs Computing kpt #: 244 total cpu time spent up to now is 213.5 secs Computing kpt #: 245 total cpu time spent up to now is 214.4 secs Computing kpt #: 246 total cpu time spent up to now is 215.3 secs Computing kpt #: 247 total cpu time spent up to now is 216.2 secs Computing kpt #: 248 total cpu time spent up to now is 217.2 secs Computing kpt #: 249 total cpu time spent up to now is 218.0 secs Computing kpt #: 250 total cpu time spent up to now is 218.8 secs Computing kpt #: 251 total cpu time spent up to now is 219.6 secs Computing kpt #: 252 total cpu time spent up to now is 220.4 secs Computing kpt #: 253 total cpu time spent up to now is 221.2 secs Computing kpt #: 254 total cpu time spent up to now is 222.0 secs Computing kpt #: 255 total cpu time spent up to now is 222.8 secs Computing kpt #: 256 total cpu time spent up to now is 223.6 secs Computing kpt #: 257 total cpu time spent up to now is 224.4 secs Computing kpt #: 258 total cpu time spent up to now is 225.2 secs Computing kpt #: 259 total cpu time spent up to now is 225.9 secs Computing kpt #: 260 total cpu time spent up to now is 226.7 secs Computing kpt #: 261 total cpu time spent up to now is 227.5 secs Computing kpt #: 262 total cpu time spent up to now is 228.2 secs Computing kpt #: 263 total cpu time spent up to now is 229.0 secs Computing kpt #: 264 total cpu time spent up to now is 229.8 secs Computing kpt #: 265 total cpu time spent up to now is 230.6 secs Computing kpt #: 266 total cpu time spent up to now is 231.4 secs Computing kpt #: 267 total cpu time spent up to now is 232.3 secs Computing kpt #: 268 total cpu time spent up to now is 233.1 secs Computing kpt #: 269 total cpu time spent up to now is 234.0 secs Computing kpt #: 270 total cpu time spent up to now is 234.9 secs Computing kpt #: 271 total cpu time spent up to now is 235.8 secs Computing kpt #: 272 total cpu time spent up to now is 236.7 secs Computing kpt #: 273 total cpu time spent up to now is 237.7 secs Computing kpt #: 274 total cpu time spent up to now is 238.6 secs Computing kpt #: 275 total cpu time spent up to now is 239.6 secs Computing kpt #: 276 total cpu time spent up to now is 240.3 secs Computing kpt #: 277 total cpu time spent up to now is 241.1 secs Computing kpt #: 278 total cpu time spent up to now is 241.8 secs Computing kpt #: 279 total cpu time spent up to now is 242.6 secs Computing kpt #: 280 total cpu time spent up to now is 243.4 secs Computing kpt #: 281 total cpu time spent up to now is 244.2 secs Computing kpt #: 282 total cpu time spent up to now is 245.0 secs Computing kpt #: 283 total cpu time spent up to now is 245.7 secs Computing kpt #: 284 total cpu time spent up to now is 246.5 secs Computing kpt #: 285 total cpu time spent up to now is 247.3 secs Computing kpt #: 286 total cpu time spent up to now is 248.1 secs Computing kpt #: 287 total cpu time spent up to now is 248.9 secs Computing kpt #: 288 total cpu time spent up to now is 249.8 secs ethr = 2.27E-08, avg # of iterations = 20.5 total cpu time spent up to now is 249.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3899 PWs) bands (ev): -6.0543 -6.0543 -6.0474 -6.0474 -6.0372 -6.0372 -6.0362 -6.0362 -5.2449 -5.2449 -5.2287 -5.2287 -5.1924 -5.1924 -5.1892 -5.1892 -5.1673 -5.1673 -5.1598 -5.1598 -4.0183 -4.0183 -2.6798 -2.6798 -2.4107 -2.4107 3.6935 3.6935 4.3977 4.3977 7.5523 7.5523 7.6067 7.6067 8.1581 8.1581 8.2933 8.2933 8.3462 8.3462 9.0284 9.0284 9.5002 9.5002 10.0110 10.0110 11.3343 11.3343 11.9006 11.9006 11.9645 11.9645 k = 0.0111-0.0229-0.0137 ( 3905 PWs) bands (ev): -6.0544 -6.0544 -6.0475 -6.0475 -6.0374 -6.0374 -6.0360 -6.0360 -5.2450 -5.2450 -5.2287 -5.2287 -5.1925 -5.1925 -5.1894 -5.1894 -5.1673 -5.1673 -5.1598 -5.1598 -4.0171 -4.0171 -2.6788 -2.6788 -2.4093 -2.4093 3.6931 3.6931 4.3984 4.3984 7.5440 7.5440 7.5966 7.5966 8.1566 8.1566 8.2894 8.2894 8.3388 8.3388 9.0156 9.0156 9.5038 9.5038 10.0288 10.0288 11.3432 11.3432 11.8513 11.8513 11.9908 11.9908 k = 0.0222-0.0457-0.0273 ( 3905 PWs) bands (ev): -6.0545 -6.0545 -6.0475 -6.0475 -6.0379 -6.0379 -6.0357 -6.0357 -5.2453 -5.2453 -5.2286 -5.2286 -5.1927 -5.1927 -5.1898 -5.1898 -5.1671 -5.1671 -5.1597 -5.1597 -4.0135 -4.0135 -2.6758 -2.6758 -2.4050 -2.4050 3.6918 3.6918 4.4006 4.4006 7.5194 7.5194 7.5667 7.5667 8.1511 8.1511 8.2780 8.2780 8.3175 8.3175 8.9790 8.9790 9.5152 9.5152 10.0791 10.0791 11.3666 11.3666 11.7670 11.7670 12.0264 12.0264 k = 0.0333-0.0686-0.0410 ( 3905 PWs) bands (ev): -6.0547 -6.0547 -6.0477 -6.0477 -6.0384 -6.0384 -6.0354 -6.0354 -5.2458 -5.2458 -5.2286 -5.2286 -5.1931 -5.1931 -5.1904 -5.1904 -5.1669 -5.1669 -5.1595 -5.1595 -4.0075 -4.0075 -2.6709 -2.6709 -2.3981 -2.3981 3.6896 3.6896 4.4043 4.4043 7.4776 7.4776 7.5210 7.5210 8.1377 8.1377 8.2546 8.2546 8.2909 8.2909 8.9240 8.9240 9.5348 9.5348 10.1553 10.1553 11.3894 11.3894 11.6886 11.6886 12.0679 12.0679 k = 0.0444-0.0914-0.0547 ( 3913 PWs) bands (ev): -6.0550 -6.0550 -6.0479 -6.0479 -6.0389 -6.0389 -6.0351 -6.0351 -5.2465 -5.2465 -5.2286 -5.2286 -5.1936 -5.1936 -5.1912 -5.1912 -5.1666 -5.1666 -5.1593 -5.1593 -3.9991 -3.9991 -2.6640 -2.6640 -2.3883 -2.3883 3.6863 3.6863 4.4093 4.4093 7.4142 7.4142 7.4688 7.4688 8.1099 8.1099 8.2053 8.2053 8.2794 8.2794 8.8571 8.8571 9.5618 9.5618 10.2506 10.2506 11.3735 11.3735 11.6593 11.6593 12.1198 12.1198 k = 0.0556-0.1143-0.0683 ( 3917 PWs) bands (ev): -6.0555 -6.0555 -6.0482 -6.0482 -6.0394 -6.0394 -6.0350 -6.0350 -5.2474 -5.2474 -5.2286 -5.2286 -5.1942 -5.1942 -5.1922 -5.1922 -5.1662 -5.1662 -5.1589 -5.1589 -3.9883 -3.9883 -2.6551 -2.6551 -2.3760 -2.3760 3.6819 3.6819 4.4155 4.4155 7.3294 7.3294 7.4153 7.4153 8.0645 8.0645 8.1340 8.1340 8.2818 8.2818 8.7847 8.7847 9.5937 9.5937 10.3591 10.3591 11.2979 11.2979 11.7009 11.7009 12.1830 12.1830 k = 0.0667-0.1371-0.0820 ( 3918 PWs) bands (ev): -6.0561 -6.0561 -6.0485 -6.0485 -6.0398 -6.0398 -6.0349 -6.0349 -5.2485 -5.2485 -5.2287 -5.2287 -5.1950 -5.1950 -5.1933 -5.1933 -5.1658 -5.1658 -5.1586 -5.1586 -3.9752 -3.9752 -2.6442 -2.6442 -2.3610 -2.3610 3.6763 3.6763 4.4228 4.4228 7.2298 7.2298 7.3593 7.3593 8.0037 8.0037 8.0465 8.0465 8.2897 8.2897 8.7126 8.7126 9.6276 9.6276 10.4763 10.4763 11.1929 11.1929 11.7827 11.7827 12.2576 12.2576 k = 0.0778-0.1600-0.0956 ( 3920 PWs) bands (ev): -6.0569 -6.0569 -6.0490 -6.0490 -6.0401 -6.0401 -6.0349 -6.0349 -5.2498 -5.2498 -5.2288 -5.2288 -5.1960 -5.1960 -5.1944 -5.1944 -5.1653 -5.1653 -5.1581 -5.1581 -3.9596 -3.9596 -2.6314 -2.6314 -2.3434 -2.3434 3.6692 3.6692 4.4310 4.4310 7.1208 7.1208 7.3002 7.3002 7.9261 7.9261 7.9507 7.9507 8.2953 8.2953 8.6468 8.6468 9.6607 9.6607 10.5984 10.5984 11.0797 11.0797 11.8823 11.8823 12.3427 12.3427 k = 0.0889-0.1829-0.1093 ( 3924 PWs) bands (ev): -6.0579 -6.0579 -6.0495 -6.0495 -6.0404 -6.0404 -6.0349 -6.0349 -5.2513 -5.2513 -5.2289 -5.2289 -5.1971 -5.1971 -5.1954 -5.1954 -5.1648 -5.1648 -5.1576 -5.1576 -3.9417 -3.9417 -2.6166 -2.6166 -2.3235 -2.3235 3.6604 3.6604 4.4400 4.4400 7.0059 7.0059 7.2382 7.2382 7.8184 7.8184 7.8653 7.8653 8.2900 8.2900 8.5949 8.5949 9.6905 9.6905 10.7189 10.7189 10.9694 10.9694 11.9903 11.9903 12.4373 12.4373 k = 0.1000-0.2057-0.1230 ( 3926 PWs) bands (ev): -6.0591 -6.0591 -6.0500 -6.0500 -6.0405 -6.0405 -6.0350 -6.0350 -5.2530 -5.2530 -5.2292 -5.2292 -5.1985 -5.1985 -5.1963 -5.1963 -5.1642 -5.1642 -5.1571 -5.1571 -3.9215 -3.9215 -2.5998 -2.5998 -2.3013 -2.3013 3.6497 3.6497 4.4493 4.4493 6.8880 6.8880 7.1733 7.1733 7.6932 7.6932 7.7830 7.7830 8.2654 8.2654 8.5638 8.5638 9.7147 9.7147 10.7910 10.7910 10.9098 10.9098 12.1011 12.1011 12.5392 12.5392 k = 0.1111-0.2286-0.1366 ( 3931 PWs) bands (ev): -6.0605 -6.0605 -6.0506 -6.0506 -6.0405 -6.0405 -6.0352 -6.0352 -5.2550 -5.2550 -5.2296 -5.2296 -5.2000 -5.2000 -5.1971 -5.1971 -5.1636 -5.1636 -5.1564 -5.1564 -3.8989 -3.8989 -2.5811 -2.5811 -2.2768 -2.2768 3.6367 3.6367 4.4588 4.4588 6.7693 6.7693 7.1057 7.1057 7.5588 7.5588 7.6997 7.6997 8.2199 8.2199 8.5545 8.5545 9.7316 9.7316 10.7131 10.7131 11.0020 11.0020 12.2102 12.2102 12.6416 12.6416 k = 0.1222-0.2514-0.1503 ( 3931 PWs) bands (ev): -6.0621 -6.0621 -6.0512 -6.0512 -6.0405 -6.0405 -6.0353 -6.0353 -5.2571 -5.2571 -5.2301 -5.2301 -5.2015 -5.2015 -5.1978 -5.1978 -5.1629 -5.1629 -5.1558 -5.1558 -3.8740 -3.8740 -2.5605 -2.5605 -2.2503 -2.2503 3.6212 3.6212 4.4681 4.4681 6.6516 6.6516 7.0353 7.0353 7.4186 7.4186 7.6162 7.6162 8.1593 8.1593 8.5605 8.5605 9.7396 9.7396 10.6094 10.6094 11.1211 11.1211 12.3129 12.3129 12.7317 12.7317 k = 0.1333-0.2743-0.1640 ( 3940 PWs) bands (ev): -6.0640 -6.0640 -6.0519 -6.0519 -6.0405 -6.0405 -6.0355 -6.0355 -5.2595 -5.2595 -5.2307 -5.2307 -5.2030 -5.2030 -5.1985 -5.1985 -5.1622 -5.1622 -5.1550 -5.1550 -3.8468 -3.8468 -2.5379 -2.5379 -2.2219 -2.2219 3.6026 3.6026 4.4767 4.4767 6.5363 6.5363 6.9617 6.9617 7.2751 7.2751 7.5336 7.5336 8.0901 8.0901 8.5745 8.5745 9.7375 9.7375 10.5074 10.5074 11.2386 11.2386 12.4039 12.4039 12.8196 12.8196 k = 0.1444-0.2972-0.1776 ( 3950 PWs) bands (ev): -6.0660 -6.0660 -6.0526 -6.0526 -6.0404 -6.0404 -6.0357 -6.0357 -5.2620 -5.2620 -5.2316 -5.2316 -5.2044 -5.2044 -5.1991 -5.1991 -5.1615 -5.1615 -5.1542 -5.1542 -3.8173 -3.8173 -2.5136 -2.5136 -2.1916 -2.1916 3.5807 3.5807 4.4842 4.4842 6.4247 6.4247 6.8839 6.8839 7.1314 7.1314 7.4529 7.4529 8.0164 8.0164 8.5921 8.5921 9.7245 9.7245 10.4102 10.4102 11.3501 11.3501 12.4771 12.4771 12.9133 12.9133 k = 0.1556-0.3200-0.1913 ( 3951 PWs) bands (ev): -6.0682 -6.0682 -6.0534 -6.0534 -6.0404 -6.0404 -6.0358 -6.0358 -5.2646 -5.2646 -5.2327 -5.2327 -5.2057 -5.2057 -5.1996 -5.1996 -5.1608 -5.1608 -5.1534 -5.1534 -3.7856 -3.7856 -2.4874 -2.4874 -2.1598 -2.1598 3.5551 3.5551 4.4901 4.4901 6.3179 6.3179 6.7991 6.7991 6.9924 6.9924 7.3748 7.3748 7.9405 7.9405 8.6108 8.6108 9.6999 9.6999 10.3190 10.3190 11.4531 11.4531 12.5273 12.5273 13.0129 13.0129 k = 0.1667-0.3429-0.2049 ( 3954 PWs) bands (ev): -6.0706 -6.0706 -6.0543 -6.0543 -6.0403 -6.0403 -6.0359 -6.0359 -5.2674 -5.2674 -5.2340 -5.2340 -5.2068 -5.2068 -5.2001 -5.2001 -5.1600 -5.1600 -5.1525 -5.1525 -3.7517 -3.7517 -2.4595 -2.4595 -2.1265 -2.1265 3.5253 3.5253 4.4938 4.4938 6.2165 6.2165 6.7013 6.7013 6.8658 6.8658 7.2999 7.2999 7.8636 7.8636 8.6294 8.6294 9.6637 9.6637 10.2341 10.2341 11.5452 11.5452 12.5515 12.5515 13.1139 13.1139 k = 0.1778-0.3657-0.2186 ( 3954 PWs) bands (ev): -6.0730 -6.0730 -6.0553 -6.0553 -6.0402 -6.0402 -6.0359 -6.0359 -5.2703 -5.2703 -5.2356 -5.2356 -5.2077 -5.2077 -5.2005 -5.2005 -5.1592 -5.1592 -5.1516 -5.1516 -3.7156 -3.7156 -2.4299 -2.4299 -2.0919 -2.0919 3.4911 3.4911 4.4946 4.4946 6.1208 6.1208 6.5852 6.5852 6.7595 6.7595 7.2286 7.2286 7.7865 7.7865 8.6468 8.6468 9.6167 9.6167 10.1550 10.1550 11.6247 11.6247 12.5519 12.5519 13.2036 13.2036 k = 0.1889-0.3886-0.2323 ( 3961 PWs) bands (ev): -6.0756 -6.0756 -6.0564 -6.0564 -6.0401 -6.0401 -6.0359 -6.0359 -5.2733 -5.2733 -5.2374 -5.2374 -5.2085 -5.2085 -5.2008 -5.2008 -5.1584 -5.1584 -5.1506 -5.1506 -3.6774 -3.6774 -2.3987 -2.3987 -2.0562 -2.0562 3.4522 3.4522 4.4919 4.4919 6.0303 6.0303 6.4555 6.4555 6.6713 6.6713 7.1611 7.1611 7.7097 7.7097 8.6627 8.6627 9.5602 9.5602 10.0806 10.0806 11.6895 11.6895 12.5351 12.5351 13.2631 13.2631 k = 0.2000-0.4114-0.2459 ( 3957 PWs) bands (ev): -6.0784 -6.0784 -6.0576 -6.0576 -6.0400 -6.0400 -6.0358 -6.0358 -5.2763 -5.2763 -5.2394 -5.2394 -5.2091 -5.2091 -5.2010 -5.2010 -5.1575 -5.1575 -5.1496 -5.1496 -3.6371 -3.6371 -2.3660 -2.3660 -2.0196 -2.0196 3.4085 3.4085 4.4850 4.4850 5.9433 5.9433 6.3230 6.3230 6.5945 6.5945 7.0974 7.0974 7.6336 7.6336 8.6766 8.6766 9.4964 9.4964 10.0094 10.0094 11.7385 11.7385 12.5087 12.5087 13.2975 13.2975 k = 0.2111-0.4343-0.2596 ( 3965 PWs) bands (ev): -6.0812 -6.0812 -6.0589 -6.0589 -6.0399 -6.0399 -6.0357 -6.0357 -5.2794 -5.2794 -5.2415 -5.2415 -5.2095 -5.2095 -5.2012 -5.2012 -5.1567 -5.1567 -5.1485 -5.1485 -3.5948 -3.5948 -2.3319 -2.3319 -1.9823 -1.9823 3.3600 3.3600 4.4733 4.4733 5.8560 5.8560 6.1972 6.1972 6.5251 6.5251 7.0377 7.0377 7.5585 7.5585 8.6881 8.6881 9.4273 9.4273 9.9396 9.9396 11.7711 11.7711 12.4789 12.4789 13.3077 13.3077 k = 0.2222-0.4572-0.2733 ( 3961 PWs) bands (ev): -6.0840 -6.0840 -6.0603 -6.0603 -6.0398 -6.0398 -6.0355 -6.0355 -5.2824 -5.2824 -5.2438 -5.2438 -5.2098 -5.2098 -5.2014 -5.2014 -5.1558 -5.1558 -5.1475 -5.1475 -3.5505 -3.5505 -2.2965 -2.2965 -1.9445 -1.9445 3.3068 3.3068 4.4562 4.4562 5.7621 5.7621 6.0872 6.0872 6.4621 6.4621 6.9819 6.9819 7.4846 7.4846 8.6968 8.6968 9.3553 9.3553 9.8698 9.8698 11.7874 11.7874 12.4497 12.4497 13.2912 13.2912 k = 0.2333-0.4800-0.2869 ( 3960 PWs) bands (ev): -6.0870 -6.0870 -6.0618 -6.0618 -6.0397 -6.0397 -6.0353 -6.0353 -5.2854 -5.2854 -5.2462 -5.2462 -5.2100 -5.2100 -5.2015 -5.2015 -5.1549 -5.1549 -5.1463 -5.1463 -3.5043 -3.5043 -2.2599 -2.2599 -1.9066 -1.9066 3.2493 3.2493 4.4334 4.4334 5.6556 5.6556 6.0004 6.0004 6.4050 6.4050 6.9299 6.9299 7.4122 7.4122 8.7023 8.7023 9.2821 9.2821 9.7990 9.7990 11.7890 11.7890 12.4232 12.4232 13.2543 13.2543 k = 0.2444-0.5029-0.3006 ( 3963 PWs) bands (ev): -6.0899 -6.0899 -6.0634 -6.0634 -6.0396 -6.0396 -6.0351 -6.0351 -5.2884 -5.2884 -5.2487 -5.2487 -5.2101 -5.2101 -5.2015 -5.2015 -5.1540 -5.1540 -5.1452 -5.1452 -3.4564 -3.4564 -2.2222 -2.2222 -1.8687 -1.8687 3.1880 3.1880 4.4045 4.4045 5.5353 5.5353 5.9385 5.9385 6.3542 6.3542 6.8818 6.8818 7.3414 7.3414 8.7039 8.7039 9.2097 9.2097 9.7263 9.7263 11.7783 11.7783 12.3997 12.3997 13.2057 13.2057 k = 0.2556-0.5257-0.3143 ( 3969 PWs) bands (ev): -6.0929 -6.0929 -6.0650 -6.0650 -6.0394 -6.0394 -6.0349 -6.0349 -5.2913 -5.2913 -5.2513 -5.2513 -5.2100 -5.2100 -5.2015 -5.2015 -5.1531 -5.1531 -5.1441 -5.1441 -3.4067 -3.4067 -2.1835 -2.1835 -1.8311 -1.8311 3.1236 3.1236 4.3695 4.3695 5.4052 5.4052 5.8978 5.8978 6.3097 6.3097 6.8375 6.8375 7.2724 7.2724 8.7007 8.7007 9.1398 9.1398 9.6517 9.6517 11.7582 11.7582 12.3788 12.3788 13.1514 13.1514 k = 0.2667-0.5486-0.3279 ( 3960 PWs) bands (ev): -6.0960 -6.0960 -6.0667 -6.0667 -6.0393 -6.0393 -6.0347 -6.0347 -5.2941 -5.2941 -5.2538 -5.2538 -5.2099 -5.2099 -5.2015 -5.2015 -5.1522 -5.1522 -5.1429 -5.1429 -3.3553 -3.3553 -2.1441 -2.1441 -1.7941 -1.7941 3.0567 3.0567 4.3286 4.3286 5.2700 5.2700 5.8732 5.8732 6.2718 6.2718 6.7972 6.7972 7.2054 7.2054 8.6911 8.6911 9.0744 9.0744 9.5750 9.5750 11.7317 11.7317 12.3597 12.3597 13.0952 13.0952 k = 0.2778-0.5714-0.3416 ( 3960 PWs) bands (ev): -6.0990 -6.0990 -6.0684 -6.0684 -6.0391 -6.0391 -6.0345 -6.0345 -5.2969 -5.2969 -5.2564 -5.2564 -5.2098 -5.2098 -5.2015 -5.2015 -5.1513 -5.1513 -5.1417 -5.1417 -3.3025 -3.3025 -2.1041 -2.1041 -1.7581 -1.7581 2.9883 2.9883 4.2820 4.2820 5.1329 5.1329 5.8613 5.8613 6.2402 6.2402 6.7607 6.7607 7.1404 7.1404 8.6736 8.6736 9.0155 9.0155 9.4967 9.4967 11.7011 11.7011 12.3414 12.3414 13.0395 13.0395 k = 0.2889-0.5943-0.3552 ( 3962 PWs) bands (ev): -6.1020 -6.1020 -6.0701 -6.0701 -6.0389 -6.0389 -6.0343 -6.0343 -5.2995 -5.2995 -5.2589 -5.2589 -5.2096 -5.2096 -5.2015 -5.2015 -5.1504 -5.1504 -5.1406 -5.1406 -3.2483 -3.2483 -2.0636 -2.0636 -1.7233 -1.7233 2.9192 2.9192 4.2303 4.2303 4.9961 4.9961 5.8595 5.8595 6.2149 6.2149 6.7283 6.7283 7.0778 7.0778 8.6462 8.6462 8.9648 8.9648 9.4174 9.4174 11.6687 11.6687 12.3235 12.3235 12.9859 12.9859 k = 0.3000-0.6172-0.3689 ( 3955 PWs) bands (ev): -6.1050 -6.1050 -6.0718 -6.0718 -6.0387 -6.0387 -6.0341 -6.0341 -5.3020 -5.3020 -5.2614 -5.2614 -5.2093 -5.2093 -5.2014 -5.2014 -5.1495 -5.1495 -5.1394 -5.1394 -3.1928 -3.1928 -2.0229 -2.0229 -1.6902 -1.6902 2.8503 2.8503 4.1740 4.1740 4.8610 4.8610 5.8659 5.8659 6.1952 6.1952 6.7001 6.7001 7.0175 7.0175 8.6083 8.6083 8.9229 8.9229 9.3381 9.3381 11.6358 11.6358 12.3057 12.3057 12.9355 12.9355 k = 0.3111-0.6400-0.3826 ( 3953 PWs) bands (ev): -6.1079 -6.1079 -6.0736 -6.0736 -6.0384 -6.0384 -6.0339 -6.0339 -5.3044 -5.3044 -5.2639 -5.2639 -5.2091 -5.2091 -5.2014 -5.2014 -5.1487 -5.1487 -5.1383 -5.1383 -3.1362 -3.1362 -1.9821 -1.9821 -1.6590 -1.6590 2.7827 2.7827 4.1136 4.1136 4.7286 4.7286 5.8792 5.8792 6.1805 6.1805 6.6761 6.6761 6.9598 6.9598 8.5611 8.5611 8.8877 8.8877 9.2603 9.2603 11.6035 11.6035 12.2875 12.2875 12.8893 12.8893 k = 0.3222-0.6629-0.3962 ( 3949 PWs) bands (ev): -6.1108 -6.1108 -6.0752 -6.0752 -6.0382 -6.0382 -6.0337 -6.0337 -5.3066 -5.3066 -5.2662 -5.2662 -5.2088 -5.2088 -5.2013 -5.2013 -5.1478 -5.1478 -5.1372 -5.1372 -3.0788 -3.0788 -1.9416 -1.9416 -1.6301 -1.6301 2.7171 2.7171 4.0500 4.0500 4.5996 4.5996 5.8983 5.8983 6.1703 6.1703 6.6565 6.6565 6.9048 6.9048 8.5067 8.5067 8.8556 8.8556 9.1863 9.1863 11.5725 11.5725 12.2690 12.2690 12.8478 12.8478 k = 0.3333-0.6857-0.4099 ( 3948 PWs) bands (ev): -6.1136 -6.1136 -6.0769 -6.0769 -6.0380 -6.0380 -6.0335 -6.0335 -5.3087 -5.3087 -5.2685 -5.2685 -5.2084 -5.2084 -5.2013 -5.2013 -5.1470 -5.1470 -5.1361 -5.1361 -3.0206 -3.0206 -1.9014 -1.9014 -1.6039 -1.6039 2.6545 2.6545 3.9836 3.9836 4.4750 4.4750 5.9220 5.9220 6.1637 6.1637 6.6414 6.6414 6.8527 6.8527 8.4479 8.4479 8.8216 8.8216 9.1192 9.1192 11.5434 11.5434 12.2501 12.2501 12.8117 12.8117 k = 0.3444-0.7086-0.4236 ( 3946 PWs) bands (ev): -6.1163 -6.1163 -6.0785 -6.0785 -6.0378 -6.0378 -6.0334 -6.0334 -5.3107 -5.3107 -5.2707 -5.2707 -5.2081 -5.2081 -5.2012 -5.2012 -5.1462 -5.1462 -5.1350 -5.1350 -2.9620 -2.9620 -1.8619 -1.8619 -1.5806 -1.5806 2.5956 2.5956 3.9150 3.9150 4.3553 4.3553 5.9496 5.9496 6.1602 6.1602 6.6308 6.6308 6.8038 6.8038 8.3866 8.3866 8.7809 8.7809 9.0626 9.0626 11.5163 11.5163 12.2308 12.2308 12.7815 12.7815 k = 0.3556-0.7315-0.4372 ( 3959 PWs) bands (ev): -6.1189 -6.1189 -6.0800 -6.0800 -6.0376 -6.0376 -6.0332 -6.0332 -5.3126 -5.3126 -5.2728 -5.2728 -5.2078 -5.2078 -5.2012 -5.2012 -5.1455 -5.1455 -5.1340 -5.1340 -2.9032 -2.9032 -1.8233 -1.8233 -1.5606 -1.5606 2.5411 2.5411 3.8448 3.8448 4.2415 4.2415 5.9798 5.9798 6.1591 6.1591 6.6243 6.6243 6.7584 6.7584 8.3242 8.3242 8.7304 8.7304 9.0189 9.0189 11.4915 11.4915 12.2110 12.2110 12.7574 12.7574 k = 0.3667-0.7543-0.4509 ( 3965 PWs) bands (ev): -6.1214 -6.1214 -6.0815 -6.0815 -6.0374 -6.0374 -6.0331 -6.0331 -5.3143 -5.3143 -5.2747 -5.2747 -5.2074 -5.2074 -5.2011 -5.2011 -5.1447 -5.1447 -5.1331 -5.1331 -2.8446 -2.8446 -1.7860 -1.7860 -1.5441 -1.5441 2.4917 2.4917 3.7732 3.7732 4.1343 4.1343 6.0115 6.0115 6.1603 6.1603 6.6216 6.6216 6.7173 6.7173 8.2617 8.2617 8.6706 8.6706 8.9877 8.9877 11.4690 11.4690 12.1909 12.1909 12.7397 12.7397 k = 0.3778-0.7772-0.4646 ( 3966 PWs) bands (ev): -6.1237 -6.1237 -6.0829 -6.0829 -6.0372 -6.0372 -6.0330 -6.0330 -5.3158 -5.3158 -5.2766 -5.2766 -5.2071 -5.2071 -5.2011 -5.2011 -5.1441 -5.1441 -5.1322 -5.1322 -2.7865 -2.7865 -1.7501 -1.7501 -1.5312 -1.5312 2.4478 2.4478 3.7007 3.7007 4.0347 4.0347 6.0432 6.0432 6.1640 6.1640 6.6211 6.6211 6.6818 6.6818 8.1999 8.1999 8.6044 8.6044 8.9661 8.9661 11.4488 11.4488 12.1708 12.1708 12.7284 12.7284 k = 0.3889-0.8000-0.4782 ( 3966 PWs) bands (ev): -6.1259 -6.1259 -6.0842 -6.0842 -6.0370 -6.0370 -6.0329 -6.0329 -5.3172 -5.3172 -5.2783 -5.2783 -5.2067 -5.2067 -5.2010 -5.2010 -5.1434 -5.1434 -5.1314 -5.1314 -2.7293 -2.7293 -1.7161 -1.7161 -1.5221 -1.5221 2.4097 2.4097 3.6276 3.6276 3.9435 3.9435 6.0725 6.0725 6.1710 6.1710 6.6178 6.6178 6.6571 6.6571 8.1393 8.1393 8.5356 8.5356 8.9510 8.9510 11.4310 11.4310 12.1507 12.1507 12.7229 12.7229 k = 0.4000-0.8229-0.4919 ( 3964 PWs) bands (ev): -6.1279 -6.1279 -6.0854 -6.0854 -6.0368 -6.0368 -6.0328 -6.0328 -5.3185 -5.3185 -5.2798 -5.2798 -5.2064 -5.2064 -5.2010 -5.2010 -5.1428 -5.1428 -5.1306 -5.1306 -2.6735 -2.6735 -1.6841 -1.6841 -1.5166 -1.5166 2.3778 2.3778 3.5545 3.5545 3.8613 3.8613 6.0967 6.0967 6.1827 6.1827 6.6037 6.6037 6.6513 6.6513 8.0804 8.0804 8.4669 8.4669 8.9403 8.9403 11.4153 11.4153 12.1312 12.1312 12.7214 12.7214 k = 0.4111-0.8457-0.5055 ( 3966 PWs) bands (ev): -6.1298 -6.1298 -6.0865 -6.0865 -6.0366 -6.0366 -6.0328 -6.0328 -5.3196 -5.3196 -5.2813 -5.2813 -5.2061 -5.2061 -5.2010 -5.2010 -5.1423 -5.1423 -5.1299 -5.1299 -2.6198 -2.6198 -1.6546 -1.6546 -1.5146 -1.5146 2.3519 2.3519 3.4825 3.4825 3.7883 3.7883 6.1139 6.1139 6.1989 6.1989 6.5866 6.5866 6.6570 6.6570 8.0236 8.0236 8.4006 8.4006 8.9323 8.9323 11.4018 11.4018 12.1125 12.1125 12.7160 12.7160 k = 0.4222-0.8686-0.5192 ( 3967 PWs) bands (ev): -6.1314 -6.1314 -6.0875 -6.0875 -6.0364 -6.0364 -6.0327 -6.0327 -5.3206 -5.3206 -5.2825 -5.2825 -5.2058 -5.2058 -5.2010 -5.2010 -5.1418 -5.1418 -5.1292 -5.1292 -2.5689 -2.5689 -1.6278 -1.6278 -1.5158 -1.5158 2.3320 2.3320 3.4129 3.4129 3.7247 3.7247 6.1253 6.1253 6.2168 6.2168 6.5748 6.5748 6.6658 6.6658 7.9697 7.9697 8.3384 8.3384 8.9263 8.9263 11.3902 11.3902 12.0950 12.0950 12.7003 12.7003 k = 0.4333-0.8915-0.5329 ( 3963 PWs) bands (ev): -6.1329 -6.1329 -6.0884 -6.0884 -6.0363 -6.0363 -6.0327 -6.0327 -5.3215 -5.3215 -5.2836 -5.2836 -5.2055 -5.2055 -5.2010 -5.2010 -5.1414 -5.1414 -5.1287 -5.1287 -2.5215 -2.5215 -1.6040 -1.6040 -1.5194 -1.5194 2.3175 2.3175 3.3472 3.3472 3.6702 3.6702 6.1332 6.1332 6.2322 6.2322 6.5713 6.5713 6.6750 6.6750 7.9193 7.9193 8.2816 8.2816 8.9217 8.9217 11.3805 11.3805 12.0791 12.0791 12.6825 12.6825 k = 0.4444-0.9143-0.5465 ( 3955 PWs) bands (ev): -6.1341 -6.1341 -6.0891 -6.0891 -6.0362 -6.0362 -6.0326 -6.0326 -5.3222 -5.3222 -5.2846 -5.2846 -5.2053 -5.2053 -5.2010 -5.2010 -5.1410 -5.1410 -5.1282 -5.1282 -2.4785 -2.4785 -1.5838 -1.5838 -1.5246 -1.5246 2.3079 2.3079 3.2872 3.2872 3.6244 3.6244 6.1395 6.1395 6.2423 6.2423 6.5767 6.5767 6.6830 6.6830 7.8734 7.8734 8.2315 8.2315 8.9182 8.9182 11.3726 11.3726 12.0650 12.0650 12.6664 12.6664 k = 0.4556-0.9372-0.5602 ( 3954 PWs) bands (ev): -6.1351 -6.1351 -6.0898 -6.0898 -6.0360 -6.0360 -6.0326 -6.0326 -5.3228 -5.3228 -5.2853 -5.2853 -5.2050 -5.2050 -5.2010 -5.2010 -5.1407 -5.1407 -5.1278 -5.1278 -2.4411 -2.4411 -1.5677 -1.5677 -1.5302 -1.5302 2.3023 2.3023 3.2348 3.2348 3.5873 3.5873 6.1450 6.1450 6.2468 6.2468 6.5897 6.5897 6.6885 6.6885 7.8332 7.8332 8.1891 8.1891 8.9155 8.9155 11.3663 11.3663 12.0531 12.0531 12.6529 12.6529 k = 0.4667-0.9600-0.5739 ( 3958 PWs) bands (ev): -6.1359 -6.1359 -6.0902 -6.0902 -6.0360 -6.0360 -6.0326 -6.0326 -5.3232 -5.3232 -5.2859 -5.2859 -5.2049 -5.2049 -5.2011 -5.2011 -5.1405 -5.1405 -5.1275 -5.1275 -2.4104 -2.4104 -1.5572 -1.5572 -1.5338 -1.5338 2.2996 2.2996 3.1916 3.1916 3.5585 3.5585 6.1498 6.1498 6.2470 6.2470 6.6076 6.6076 6.6904 6.6904 7.7999 7.7999 8.1552 8.1552 8.9135 8.9135 11.3615 11.3615 12.0437 12.0437 12.6422 12.6422 k = 0.4778-0.9829-0.5875 ( 3960 PWs) bands (ev): -6.1365 -6.1365 -6.0906 -6.0906 -6.0359 -6.0359 -6.0326 -6.0326 -5.3236 -5.3236 -5.2864 -5.2864 -5.2048 -5.2048 -5.2011 -5.2011 -5.1403 -5.1403 -5.1273 -5.1273 -2.3874 -2.3874 -1.5544 -1.5544 -1.5326 -1.5326 2.2988 2.2988 3.1593 3.1593 3.5381 3.5381 6.1539 6.1539 6.2450 6.2450 6.6274 6.6274 6.6882 6.6882 7.7749 7.7749 8.1304 8.1304 8.9121 8.9121 11.3581 11.3581 12.0367 12.0367 12.6345 12.6345 k = 0.4889-1.0057-0.6012 ( 3963 PWs) bands (ev): -6.1368 -6.1368 -6.0908 -6.0908 -6.0359 -6.0359 -6.0326 -6.0326 -5.3238 -5.3238 -5.2866 -5.2866 -5.2047 -5.2047 -5.2011 -5.2011 -5.1402 -5.1402 -5.1271 -5.1271 -2.3731 -2.3731 -1.5557 -1.5557 -1.5293 -1.5293 2.2987 2.2987 3.1393 3.1393 3.5258 3.5258 6.1567 6.1567 6.2427 6.2427 6.6455 6.6455 6.6820 6.6820 7.7594 7.7594 8.1153 8.1153 8.9113 8.9113 11.3561 11.3561 12.0326 12.0326 12.6299 12.6299 k = 0.5000-1.0286-0.6148 ( 3974 PWs) bands (ev): -6.1370 -6.1370 -6.0909 -6.0909 -6.0359 -6.0359 -6.0326 -6.0326 -5.3238 -5.3238 -5.2867 -5.2867 -5.2047 -5.2047 -5.2011 -5.2011 -5.1402 -5.1402 -5.1271 -5.1271 -2.3683 -2.3683 -1.5565 -1.5565 -1.5279 -1.5279 2.2988 2.2988 3.1325 3.1325 3.5217 3.5217 6.1577 6.1577 6.2418 6.2418 6.6550 6.6550 6.6767 6.6767 7.7541 7.7541 8.1103 8.1103 8.9110 8.9110 11.3555 11.3555 12.0311 12.0311 12.6284 12.6284 k = 0.5000-1.0286-0.6148 ( 3974 PWs) bands (ev): -6.1370 -6.1370 -6.0909 -6.0909 -6.0359 -6.0359 -6.0326 -6.0326 -5.3238 -5.3238 -5.2867 -5.2867 -5.2047 -5.2047 -5.2011 -5.2011 -5.1402 -5.1402 -5.1271 -5.1271 -2.3683 -2.3683 -1.5565 -1.5565 -1.5279 -1.5279 2.2988 2.2988 3.1325 3.1325 3.5217 3.5217 6.1577 6.1577 6.2418 6.2418 6.6550 6.6550 6.6767 6.6767 7.7541 7.7541 8.1103 8.1103 8.9110 8.9110 11.3555 11.3555 12.0311 12.0311 12.6284 12.6284 k = 0.5000-1.0140-0.6393 ( 3970 PWs) bands (ev): -6.1369 -6.1369 -6.0909 -6.0909 -6.0360 -6.0360 -6.0325 -6.0325 -5.3238 -5.3238 -5.2867 -5.2867 -5.2047 -5.2047 -5.2012 -5.2012 -5.1402 -5.1402 -5.1271 -5.1271 -2.3670 -2.3670 -1.5560 -1.5560 -1.5277 -1.5277 2.2995 2.2995 3.1330 3.1330 3.5229 3.5229 6.1327 6.1327 6.2227 6.2227 6.6494 6.6494 6.7137 6.7137 7.7567 7.7567 8.1217 8.1217 8.8987 8.8987 11.3382 11.3382 12.0479 12.0479 12.6170 12.6170 k = 0.5000-0.9994-0.6637 ( 3960 PWs) bands (ev): -6.1366 -6.1366 -6.0908 -6.0908 -6.0363 -6.0363 -6.0325 -6.0325 -5.3236 -5.3236 -5.2867 -5.2867 -5.2050 -5.2050 -5.2014 -5.2014 -5.1402 -5.1402 -5.1272 -5.1272 -2.3632 -2.3632 -1.5548 -1.5548 -1.5272 -1.5272 2.3013 2.3013 3.1343 3.1343 3.5264 3.5264 6.0689 6.0689 6.1678 6.1678 6.6676 6.6676 6.7766 6.7766 7.7645 7.7645 8.1554 8.1554 8.8625 8.8625 11.2890 11.2890 12.0964 12.0964 12.5975 12.5975 k = 0.5000-0.9848-0.6881 ( 3954 PWs) bands (ev): -6.1361 -6.1361 -6.0907 -6.0907 -6.0369 -6.0369 -6.0325 -6.0325 -5.3232 -5.3232 -5.2868 -5.2868 -5.2056 -5.2056 -5.2018 -5.2018 -5.1403 -5.1403 -5.1274 -5.1274 -2.3569 -2.3569 -1.5527 -1.5527 -1.5263 -1.5263 2.3044 2.3044 3.1365 3.1365 3.5322 3.5322 5.9829 5.9829 6.0876 6.0876 6.7037 6.7037 6.8456 6.8456 7.7775 7.7775 8.2098 8.2098 8.8047 8.8047 11.2140 11.2140 12.1726 12.1726 12.5879 12.5879 k = 0.5000-0.9702-0.7125 ( 3954 PWs) bands (ev): -6.1354 -6.1354 -6.0907 -6.0907 -6.0376 -6.0376 -6.0325 -6.0325 -5.3228 -5.3228 -5.2868 -5.2868 -5.2065 -5.2065 -5.2022 -5.2022 -5.1404 -5.1404 -5.1276 -5.1276 -2.3480 -2.3480 -1.5498 -1.5498 -1.5251 -1.5251 2.3086 2.3086 3.1393 3.1393 3.5403 3.5403 5.8843 5.8843 5.9936 5.9936 6.7460 6.7460 6.9133 6.9133 7.7955 7.7955 8.2826 8.2826 8.7285 8.7285 11.1202 11.1202 12.2719 12.2719 12.5949 12.5949 k = 0.5000-0.9556-0.7369 ( 3964 PWs) bands (ev): -6.1345 -6.1345 -6.0905 -6.0905 -6.0385 -6.0385 -6.0325 -6.0325 -5.3222 -5.3222 -5.2868 -5.2868 -5.2077 -5.2077 -5.2026 -5.2026 -5.1405 -5.1405 -5.1279 -5.1279 -2.3367 -2.3367 -1.5462 -1.5462 -1.5235 -1.5235 2.3139 2.3139 3.1427 3.1427 3.5507 3.5507 5.7783 5.7783 5.8928 5.8928 6.7887 6.7887 6.9757 6.9757 7.8181 7.8181 8.3701 8.3701 8.6385 8.6385 11.0140 11.0140 12.3903 12.3903 12.6197 12.6197 k = 0.5000-0.9410-0.7613 ( 3964 PWs) bands (ev): -6.1335 -6.1335 -6.0904 -6.0904 -6.0396 -6.0396 -6.0326 -6.0326 -5.3215 -5.3215 -5.2869 -5.2869 -5.2093 -5.2093 -5.2029 -5.2029 -5.1406 -5.1406 -5.1283 -5.1283 -2.3230 -2.3230 -1.5419 -1.5419 -1.5218 -1.5218 2.3202 2.3202 3.1464 3.1464 3.5632 3.5632 5.6683 5.6683 5.7892 5.7892 6.8297 6.8297 7.0307 7.0307 7.8439 7.8439 8.4600 8.4600 8.5484 8.5484 10.9006 10.9006 12.5234 12.5234 12.6621 12.6621 k = 0.5000-0.9264-0.7858 ( 3972 PWs) bands (ev): -6.1323 -6.1323 -6.0903 -6.0903 -6.0408 -6.0408 -6.0327 -6.0327 -5.3207 -5.3207 -5.2869 -5.2869 -5.2112 -5.2112 -5.2033 -5.2033 -5.1406 -5.1406 -5.1287 -5.1287 -2.3069 -2.3069 -1.5370 -1.5370 -1.5198 -1.5198 2.3273 2.3273 3.1502 3.1502 3.5780 3.5780 5.5568 5.5568 5.6853 5.6853 6.8685 6.8685 7.0767 7.0767 7.8709 7.8709 8.4148 8.4148 8.5973 8.5973 10.7841 10.7841 12.6626 12.6626 12.7263 12.7263 k = 0.5000-0.9118-0.8102 ( 3964 PWs) bands (ev): -6.1309 -6.1309 -6.0901 -6.0901 -6.0421 -6.0421 -6.0328 -6.0328 -5.3197 -5.3197 -5.2870 -5.2870 -5.2134 -5.2134 -5.2036 -5.2036 -5.1407 -5.1407 -5.1291 -5.1291 -2.2885 -2.2885 -1.5317 -1.5317 -1.5177 -1.5177 2.3353 2.3353 3.1538 3.1538 3.5949 3.5949 5.4458 5.4458 5.5828 5.5828 6.9053 6.9053 7.1131 7.1131 7.8941 7.8941 8.3097 8.3097 8.7144 8.7144 10.6680 10.6680 12.7695 12.7695 12.8464 12.8464 k = 0.5000-0.8973-0.8346 ( 3968 PWs) bands (ev): -6.1293 -6.1293 -6.0899 -6.0899 -6.0436 -6.0436 -6.0330 -6.0330 -5.3186 -5.3186 -5.2870 -5.2870 -5.2159 -5.2159 -5.2039 -5.2039 -5.1408 -5.1408 -5.1296 -5.1296 -2.2679 -2.2679 -1.5260 -1.5260 -1.5155 -1.5155 2.3438 2.3438 3.1567 3.1567 3.6139 3.6139 5.3368 5.3368 5.4830 5.4830 6.9407 6.9407 7.1393 7.1393 7.9025 7.9025 8.2143 8.2143 8.8402 8.8402 10.5550 10.5550 12.8561 12.8561 13.0067 13.0067 k = 0.5000-0.8827-0.8590 ( 3974 PWs) bands (ev): -6.1277 -6.1277 -6.0898 -6.0898 -6.0452 -6.0452 -6.0332 -6.0332 -5.3174 -5.3174 -5.2871 -5.2871 -5.2186 -5.2186 -5.2043 -5.2043 -5.1408 -5.1408 -5.1301 -5.1301 -2.2452 -2.2452 -1.5202 -1.5202 -1.5133 -1.5133 2.3528 2.3528 3.1584 3.1584 3.6348 3.6348 5.2314 5.2314 5.3868 5.3868 6.9749 6.9749 7.1548 7.1548 7.8741 7.8741 8.1537 8.1537 8.9706 8.9706 10.4475 10.4475 12.9496 12.9496 13.1764 13.1764 k = 0.5000-0.8681-0.8834 ( 3972 PWs) bands (ev): -6.1258 -6.1258 -6.0896 -6.0896 -6.0469 -6.0469 -6.0335 -6.0335 -5.3161 -5.3161 -5.2872 -5.2872 -5.2215 -5.2215 -5.2046 -5.2046 -5.1408 -5.1408 -5.1306 -5.1306 -2.2204 -2.2204 -1.5146 -1.5146 -1.5108 -1.5108 2.3620 2.3620 3.1586 3.1586 3.6576 3.6576 5.1311 5.1311 5.2952 5.2952 7.0079 7.0079 7.1589 7.1589 7.7986 7.7986 8.1399 8.1399 9.1039 9.1039 10.3474 10.3474 13.0523 13.0523 13.3494 13.3494 k = 0.5000-0.8535-0.9078 ( 3970 PWs) bands (ev): -6.1239 -6.1239 -6.0895 -6.0895 -6.0488 -6.0488 -6.0337 -6.0337 -5.3147 -5.3147 -5.2873 -5.2873 -5.2246 -5.2246 -5.2049 -5.2049 -5.1408 -5.1408 -5.1312 -5.1312 -2.1937 -2.1937 -1.5108 -1.5108 -1.5070 -1.5070 2.3712 2.3712 3.1565 3.1565 3.6821 3.6821 5.0372 5.0372 5.2091 5.2091 7.0384 7.0384 7.1514 7.1514 7.6980 7.6980 8.1528 8.1528 9.2387 9.2387 10.2566 10.2566 13.1635 13.1635 13.5218 13.5218 k = 0.5000-0.8389-0.9323 ( 3962 PWs) bands (ev): -6.1219 -6.1219 -6.0894 -6.0894 -6.0507 -6.0507 -6.0340 -6.0340 -5.3131 -5.3131 -5.2875 -5.2875 -5.2278 -5.2278 -5.2053 -5.2053 -5.1407 -5.1407 -5.1317 -5.1317 -2.1652 -2.1652 -1.5089 -1.5089 -1.5018 -1.5018 2.3803 2.3803 3.1515 3.1515 3.7083 3.7083 4.9509 4.9509 5.1293 5.1293 7.0592 7.0592 7.1365 7.1365 7.5935 7.5935 8.1748 8.1748 9.3739 9.3739 10.1762 10.1762 13.2819 13.2819 13.6867 13.6867 k = 0.5000-0.8243-0.9567 ( 3964 PWs) bands (ev): -6.1197 -6.1197 -6.0892 -6.0892 -6.0527 -6.0527 -6.0343 -6.0343 -5.3115 -5.3115 -5.2876 -5.2876 -5.2311 -5.2311 -5.2056 -5.2056 -5.1406 -5.1406 -5.1322 -5.1322 -2.1350 -2.1350 -1.5079 -1.5079 -1.4967 -1.4967 2.3891 2.3891 3.1431 3.1431 3.7361 3.7361 4.8735 4.8735 5.0566 5.0566 7.0425 7.0425 7.1381 7.1381 7.4966 7.4966 8.1984 8.1984 9.5087 9.5087 10.1075 10.1075 13.4059 13.4059 13.8276 13.8276 k = 0.5000-0.8097-0.9811 ( 3964 PWs) bands (ev): -6.1176 -6.1176 -6.0892 -6.0892 -6.0548 -6.0548 -6.0345 -6.0345 -5.3097 -5.3097 -5.2878 -5.2878 -5.2345 -5.2345 -5.2059 -5.2059 -5.1405 -5.1405 -5.1327 -5.1327 -2.1033 -2.1033 -1.5075 -1.5075 -1.4921 -1.4921 2.3973 2.3973 3.1308 3.1308 3.7652 3.7652 4.8059 4.8059 4.9917 4.9917 6.9806 6.9806 7.1603 7.1603 7.4142 7.4142 8.2212 8.2212 9.6421 9.6421 10.0509 10.0509 13.5328 13.5328 13.9290 13.9290 k = 0.5000-0.7951-1.0055 ( 3964 PWs) bands (ev): -6.1153 -6.1153 -6.0891 -6.0891 -6.0570 -6.0570 -6.0348 -6.0348 -5.3079 -5.3079 -5.2879 -5.2879 -5.2379 -5.2379 -5.2062 -5.2062 -5.1404 -5.1404 -5.1332 -5.1332 -2.0702 -2.0702 -1.5079 -1.5079 -1.4885 -1.4885 2.4048 2.4048 3.1140 3.1140 3.7957 3.7957 4.7491 4.7491 4.9353 4.9353 6.8918 6.8918 7.1808 7.1808 7.3516 7.3516 8.2425 8.2425 9.7735 9.7735 10.0070 10.0070 13.6584 13.6584 14.0009 14.0009 k = 0.5000-0.7805-1.0299 ( 3966 PWs) bands (ev): -6.1130 -6.1130 -6.0890 -6.0890 -6.0593 -6.0593 -6.0350 -6.0350 -5.3060 -5.3060 -5.2881 -5.2881 -5.2413 -5.2413 -5.2065 -5.2065 -5.1402 -5.1402 -5.1337 -5.1337 -2.0359 -2.0359 -1.5092 -1.5092 -1.4859 -1.4859 2.4115 2.4115 3.0928 3.0928 3.8273 3.8273 4.7037 4.7037 4.8880 4.8880 6.7864 6.7864 7.1773 7.1773 7.3219 7.3219 8.2625 8.2625 9.8989 9.8989 9.9784 9.9784 13.7750 13.7750 14.0519 14.0519 k = 0.5000-0.7659-1.0543 ( 3964 PWs) bands (ev): -6.1108 -6.1108 -6.0890 -6.0890 -6.0616 -6.0616 -6.0353 -6.0353 -5.3040 -5.3040 -5.2883 -5.2883 -5.2446 -5.2446 -5.2068 -5.2068 -5.1400 -5.1400 -5.1342 -5.1342 -2.0006 -2.0006 -1.5114 -1.5114 -1.4847 -1.4847 2.4173 2.4173 3.0671 3.0671 3.8601 3.8601 4.6699 4.6699 4.8501 4.8501 6.6712 6.6712 7.1360 7.1360 7.3329 7.3329 8.2820 8.2820 9.9432 9.9432 10.0393 10.0393 13.8675 13.8675 14.0903 14.0903 k = 0.5000-0.7513-1.0787 ( 3962 PWs) bands (ev): -6.1085 -6.1085 -6.0889 -6.0889 -6.0639 -6.0639 -6.0355 -6.0355 -5.3021 -5.3021 -5.2885 -5.2885 -5.2479 -5.2479 -5.2070 -5.2070 -5.1398 -5.1398 -5.1346 -5.1346 -1.9646 -1.9646 -1.5147 -1.5147 -1.4852 -1.4852 2.4223 2.4223 3.0375 3.0375 3.8941 3.8941 4.6477 4.6477 4.8220 4.8220 6.5511 6.5511 7.0729 7.0729 7.3648 7.3648 8.3016 8.3016 9.9332 9.9332 10.1612 10.1612 13.9128 13.9128 14.1313 14.1313 k = 0.5000-0.7367-1.1032 ( 3970 PWs) bands (ev): -6.1064 -6.1064 -6.0888 -6.0888 -6.0662 -6.0662 -6.0356 -6.0356 -5.3000 -5.3000 -5.2887 -5.2887 -5.2510 -5.2510 -5.2072 -5.2072 -5.1396 -5.1396 -5.1350 -5.1350 -1.9281 -1.9281 -1.5191 -1.5191 -1.4874 -1.4874 2.4266 2.4266 3.0046 3.0046 3.9291 3.9291 4.6368 4.6368 4.8038 4.8038 6.4293 6.4293 6.9990 6.9990 7.4047 7.4047 8.3222 8.3222 9.9285 9.9285 10.2829 10.2829 13.9056 13.9056 14.1721 14.1721 k = 0.5000-0.7221-1.1276 ( 3974 PWs) bands (ev): -6.1044 -6.1044 -6.0885 -6.0885 -6.0684 -6.0684 -6.0358 -6.0358 -5.2981 -5.2981 -5.2890 -5.2890 -5.2539 -5.2539 -5.2074 -5.2074 -5.1394 -5.1394 -5.1354 -5.1354 -1.8915 -1.8915 -1.5246 -1.5246 -1.4918 -1.4918 2.4304 2.4304 2.9694 2.9694 3.9655 3.9655 4.6367 4.6367 4.7954 4.7954 6.3076 6.3076 6.9176 6.9176 7.4486 7.4486 8.3442 8.3442 9.9298 9.9298 10.4021 10.4021 13.8641 13.8641 14.1890 14.1890 k = 0.5000-0.7075-1.1520 ( 3964 PWs) bands (ev): -6.1026 -6.1026 -6.0882 -6.0882 -6.0707 -6.0707 -6.0359 -6.0359 -5.2962 -5.2962 -5.2892 -5.2892 -5.2566 -5.2566 -5.2075 -5.2075 -5.1392 -5.1392 -5.1357 -5.1357 -1.8555 -1.8555 -1.5310 -1.5310 -1.4986 -1.4986 2.4341 2.4341 2.9329 2.9329 4.0034 4.0034 4.6466 4.6466 4.7963 4.7963 6.1875 6.1875 6.8303 6.8303 7.4950 7.4950 8.3680 8.3680 9.9357 9.9357 10.5184 10.5184 13.8030 13.8030 14.1711 14.1711 k = 0.5000-0.6929-1.1764 ( 3974 PWs) bands (ev): -6.1011 -6.1011 -6.0876 -6.0876 -6.0728 -6.0728 -6.0359 -6.0359 -5.2944 -5.2944 -5.2895 -5.2895 -5.2590 -5.2590 -5.2076 -5.2076 -5.1390 -5.1390 -5.1359 -5.1359 -1.8208 -1.8208 -1.5377 -1.5377 -1.5079 -1.5079 2.4379 2.4379 2.8962 2.8962 4.0430 4.0430 4.6657 4.6657 4.8061 4.8061 6.0699 6.0699 6.7381 6.7381 7.5435 7.5435 8.3938 8.3938 9.9449 9.9449 10.6317 10.6317 13.7306 13.7306 14.1236 14.1236 k = 0.5000-0.6783-1.2008 ( 3976 PWs) bands (ev): -6.1000 -6.1000 -6.0869 -6.0869 -6.0748 -6.0748 -6.0360 -6.0360 -5.2929 -5.2929 -5.2897 -5.2897 -5.2609 -5.2609 -5.2077 -5.2077 -5.1388 -5.1388 -5.1362 -5.1362 -1.7887 -1.7887 -1.5439 -1.5439 -1.5199 -1.5199 2.4424 2.4424 2.8605 2.8605 4.0847 4.0847 4.6929 4.6929 4.8241 4.8241 5.9557 5.9557 6.6422 6.6422 7.5936 7.5936 8.4216 8.4216 9.9562 9.9562 10.7418 10.7418 13.6515 13.6515 14.0571 14.0571 k = 0.5000-0.6637-1.2252 ( 3978 PWs) bands (ev): -6.0993 -6.0993 -6.0859 -6.0859 -6.0765 -6.0765 -6.0360 -6.0360 -5.2916 -5.2916 -5.2900 -5.2900 -5.2623 -5.2623 -5.2077 -5.2077 -5.1386 -5.1386 -5.1363 -5.1363 -1.7613 -1.7613 -1.5477 -1.5477 -1.5350 -1.5350 2.4481 2.4481 2.8268 2.8268 4.1287 4.1287 4.7275 4.7275 4.8496 4.8496 5.8454 5.8454 6.5436 6.5436 7.6453 7.6453 8.4511 8.4511 9.9682 9.9682 10.8486 10.8486 13.5688 13.5688 13.9806 13.9806 k = 0.5000-0.6492-1.2497 ( 3976 PWs) bands (ev): -6.0990 -6.0990 -6.0850 -6.0850 -6.0778 -6.0778 -6.0360 -6.0360 -5.2908 -5.2908 -5.2903 -5.2903 -5.2631 -5.2631 -5.2077 -5.2077 -5.1385 -5.1385 -5.1364 -5.1364 -1.7419 -1.7419 -1.5533 -1.5533 -1.5462 -1.5462 2.4554 2.4554 2.7960 2.7960 4.1752 4.1752 4.7683 4.7683 4.8816 4.8816 5.7399 5.7399 6.4435 6.4435 7.6982 7.6982 8.4824 8.4824 9.9801 9.9801 10.9518 10.9518 13.4848 13.4848 13.9004 13.9004 k = 0.5000-0.6346-1.2741 ( 3980 PWs) bands (ev): -6.0990 -6.0990 -6.0846 -6.0846 -6.0782 -6.0782 -6.0359 -6.0359 -5.2909 -5.2909 -5.2901 -5.2901 -5.2631 -5.2631 -5.2076 -5.2076 -5.1385 -5.1385 -5.1364 -5.1364 -1.7335 -1.7335 -1.5745 -1.5745 -1.5370 -1.5370 2.4650 2.4650 2.7690 2.7690 4.2246 4.2246 4.8144 4.8144 4.9194 4.9194 5.6398 5.6398 6.3430 6.3430 7.7523 7.7523 8.5151 8.5151 9.9909 9.9909 11.0512 11.0512 13.4011 13.4011 13.8205 13.8205 k = 0.5000-0.6200-1.2985 ( 3980 PWs) bands (ev): -6.0992 -6.0992 -6.0851 -6.0851 -6.0774 -6.0774 -6.0359 -6.0359 -5.2915 -5.2915 -5.2899 -5.2899 -5.2626 -5.2626 -5.2075 -5.2075 -5.1385 -5.1385 -5.1364 -5.1364 -1.7373 -1.7373 -1.5992 -1.5992 -1.5188 -1.5188 2.4773 2.4773 2.7463 2.7463 4.2768 4.2768 4.8642 4.8642 4.9619 4.9619 5.5462 5.5462 6.2431 6.2431 7.8075 7.8075 8.5489 8.5489 9.9997 9.9997 11.1462 11.1462 13.3191 13.3191 13.7438 13.7438 k = 0.8213-0.5460-1.1609 ( 3980 PWs) bands (ev): -6.0992 -6.0992 -6.0851 -6.0851 -6.0774 -6.0774 -6.0359 -6.0359 -5.2915 -5.2915 -5.2899 -5.2899 -5.2626 -5.2626 -5.2075 -5.2075 -5.1385 -5.1385 -5.1364 -5.1364 -1.7373 -1.7373 -1.5992 -1.5992 -1.5188 -1.5188 2.4773 2.4773 2.7463 2.7463 4.2768 4.2768 4.8642 4.8642 4.9619 4.9619 5.5462 5.5462 6.2431 6.2431 7.8075 7.8075 8.5489 8.5489 9.9997 9.9997 11.1462 11.1462 13.3191 13.3191 13.7438 13.7438 k = 0.8148-0.5325-1.1358 ( 3980 PWs) bands (ev): -6.0997 -6.0997 -6.0860 -6.0860 -6.0759 -6.0759 -6.0358 -6.0358 -5.2924 -5.2924 -5.2898 -5.2898 -5.2614 -5.2614 -5.2074 -5.2074 -5.1386 -5.1386 -5.1363 -5.1363 -1.7521 -1.7521 -1.6280 -1.6280 -1.4930 -1.4930 2.4931 2.4931 2.7282 2.7282 4.3335 4.3335 4.9170 4.9170 5.0099 5.0099 5.4585 5.4585 6.1427 6.1427 7.8650 7.8650 8.5844 8.5844 10.0060 10.0060 11.2389 11.2389 13.2378 13.2378 13.6702 13.6702 k = 0.8082-0.5190-1.1107 ( 3986 PWs) bands (ev): -6.1002 -6.1002 -6.0870 -6.0870 -6.0741 -6.0741 -6.0357 -6.0357 -5.2934 -5.2934 -5.2897 -5.2897 -5.2597 -5.2597 -5.2073 -5.2073 -5.1387 -5.1387 -5.1362 -5.1362 -1.7752 -1.7752 -1.6602 -1.6602 -1.4629 -1.4629 2.5126 2.5126 2.7159 2.7159 4.3932 4.3932 4.9670 4.9670 5.0614 5.0614 5.3827 5.3827 6.0464 6.0464 7.9234 7.9234 8.6205 8.6205 10.0091 10.0091 11.3254 11.3254 13.1612 13.1612 13.6035 13.6035 k = 0.8017-0.5055-1.0856 ( 3978 PWs) bands (ev): -6.1009 -6.1009 -6.0879 -6.0879 -6.0721 -6.0721 -6.0356 -6.0356 -5.2945 -5.2945 -5.2896 -5.2896 -5.2577 -5.2577 -5.2071 -5.2071 -5.1389 -5.1389 -5.1361 -5.1361 -1.8046 -1.8046 -1.6959 -1.6959 -1.4308 -1.4308 2.5359 2.5359 2.7096 2.7096 4.4557 4.4557 5.0057 5.0057 5.1159 5.1159 5.3256 5.3256 5.9566 5.9566 7.9823 7.9823 8.6566 8.6566 10.0084 10.0084 11.4046 11.4046 13.0906 13.0906 13.5449 13.5449 k = 0.7951-0.4920-1.0605 ( 3976 PWs) bands (ev): -6.1016 -6.1016 -6.0887 -6.0887 -6.0700 -6.0700 -6.0355 -6.0355 -5.2957 -5.2957 -5.2895 -5.2895 -5.2554 -5.2554 -5.2070 -5.2070 -5.1391 -5.1391 -5.1360 -5.1360 -1.8388 -1.8388 -1.7349 -1.7349 -1.3982 -1.3982 2.5634 2.5634 2.7098 2.7098 4.5206 4.5206 5.0204 5.0204 5.1696 5.1696 5.3002 5.3002 5.8773 5.8773 8.0416 8.0416 8.6923 8.6923 10.0038 10.0038 11.4750 11.4750 13.0281 13.0281 13.4951 13.4951 k = 0.7886-0.4785-1.0354 ( 3976 PWs) bands (ev): -6.1024 -6.1024 -6.0893 -6.0893 -6.0680 -6.0680 -6.0354 -6.0354 -5.2969 -5.2969 -5.2893 -5.2893 -5.2530 -5.2530 -5.2068 -5.2068 -5.1393 -5.1393 -5.1360 -5.1360 -1.8771 -1.8771 -1.7770 -1.7770 -1.3661 -1.3661 2.5950 2.5950 2.7165 2.7165 4.5869 4.5869 5.0061 5.0061 5.2090 5.2090 5.3200 5.3200 5.8145 5.8145 8.1012 8.1012 8.7271 8.7271 9.9954 9.9954 11.5345 11.5345 12.9757 12.9757 13.4545 13.4545 k = 0.7820-0.4650-1.0103 ( 3976 PWs) bands (ev): -6.1031 -6.1031 -6.0897 -6.0897 -6.0660 -6.0660 -6.0353 -6.0353 -5.2981 -5.2981 -5.2890 -5.2890 -5.2505 -5.2505 -5.2066 -5.2066 -5.1395 -5.1395 -5.1359 -5.1359 -1.9189 -1.9189 -1.8222 -1.8222 -1.3352 -1.3352 2.6307 2.6307 2.7300 2.7300 4.6529 4.6529 4.9752 4.9752 5.2221 5.2221 5.3786 5.3786 5.7760 5.7760 8.1608 8.1608 8.7604 8.7604 9.9832 9.9832 11.5810 11.5810 12.9359 12.9359 13.4232 13.4232 k = 0.7754-0.4516-0.9852 ( 3974 PWs) bands (ev): -6.1037 -6.1037 -6.0899 -6.0899 -6.0640 -6.0640 -6.0352 -6.0352 -5.2991 -5.2991 -5.2885 -5.2885 -5.2479 -5.2479 -5.2064 -5.2064 -5.1398 -5.1398 -5.1359 -5.1359 -1.9638 -1.9638 -1.8700 -1.8700 -1.3058 -1.3058 2.6703 2.6703 2.7501 2.7501 4.7133 4.7133 4.9457 4.9457 5.2103 5.2103 5.4553 5.4553 5.7681 5.7681 8.2202 8.2202 8.7916 8.7916 9.9678 9.9678 11.6124 11.6124 12.9107 12.9107 13.4010 13.4010 k = 0.7689-0.4381-0.9601 ( 3970 PWs) bands (ev): -6.1042 -6.1042 -6.0900 -6.0900 -6.0621 -6.0621 -6.0351 -6.0351 -5.3000 -5.3000 -5.2880 -5.2880 -5.2453 -5.2453 -5.2062 -5.2062 -5.1401 -5.1401 -5.1360 -5.1360 -2.0113 -2.0113 -1.9204 -1.9204 -1.2785 -1.2785 2.7134 2.7134 2.7769 2.7769 4.7548 4.7548 4.9378 4.9378 5.1769 5.1769 5.5405 5.5405 5.7909 5.7909 8.2791 8.2791 8.8200 8.8200 9.9499 9.9499 11.6275 11.6275 12.9017 12.9017 13.3876 13.3876 k = 0.7623-0.4246-0.9350 ( 3968 PWs) bands (ev): -6.1046 -6.1046 -6.0899 -6.0899 -6.0603 -6.0603 -6.0351 -6.0351 -5.3007 -5.3007 -5.2874 -5.2874 -5.2428 -5.2428 -5.2061 -5.2061 -5.1404 -5.1404 -5.1361 -5.1361 -2.0612 -2.0612 -1.9730 -1.9730 -1.2534 -1.2534 2.7597 2.7597 2.8103 2.8103 4.7613 4.7613 4.9699 4.9699 5.1292 5.1292 5.6310 5.6310 5.8379 5.8379 8.3373 8.3373 8.8448 8.8448 9.9304 9.9304 11.6259 11.6259 12.9090 12.9090 13.3822 13.3822 k = 0.7558-0.4111-0.9099 ( 3968 PWs) bands (ev): -6.1049 -6.1049 -6.0897 -6.0897 -6.0586 -6.0586 -6.0350 -6.0350 -5.3013 -5.3013 -5.2866 -5.2866 -5.2402 -5.2402 -5.2059 -5.2059 -5.1408 -5.1408 -5.1363 -5.1363 -2.1130 -2.1130 -2.0275 -2.0275 -1.2310 -1.2310 2.8087 2.8087 2.8501 2.8501 4.7441 4.7441 5.0282 5.0282 5.0789 5.0789 5.7254 5.7254 5.9017 5.9017 8.3945 8.3945 8.8653 8.8653 9.9103 9.9103 11.6088 11.6088 12.9315 12.9315 13.3841 13.3841 k = 0.7492-0.3976-0.8848 ( 3974 PWs) bands (ev): -6.1050 -6.1050 -6.0892 -6.0892 -6.0569 -6.0569 -6.0350 -6.0350 -5.3017 -5.3017 -5.2858 -5.2858 -5.2377 -5.2377 -5.2058 -5.2058 -5.1412 -5.1412 -5.1365 -5.1365 -2.1666 -2.1666 -2.0838 -2.0838 -1.2114 -1.2114 2.8598 2.8598 2.8959 2.8959 4.7202 4.7202 5.0141 5.0141 5.1139 5.1139 5.8231 5.8231 5.9770 5.9770 8.4504 8.4504 8.8805 8.8805 9.8910 9.8910 11.5783 11.5783 12.9668 12.9668 13.3923 13.3923 k = 0.7427-0.3841-0.8598 ( 3968 PWs) bands (ev): -6.1049 -6.1049 -6.0887 -6.0887 -6.0553 -6.0553 -6.0349 -6.0349 -5.3019 -5.3019 -5.2848 -5.2848 -5.2353 -5.2353 -5.2057 -5.2057 -5.1417 -5.1417 -5.1367 -5.1367 -2.2216 -2.2216 -2.1415 -2.1415 -1.1947 -1.1947 2.9124 2.9124 2.9472 2.9472 4.6959 4.6959 4.9654 4.9654 5.1946 5.1946 5.9235 5.9235 6.0603 6.0603 8.5045 8.5045 8.8899 8.8899 9.8737 9.8737 11.5370 11.5370 13.0119 13.0119 13.4060 13.4060 k = 0.7361-0.3706-0.8347 ( 3970 PWs) bands (ev): -6.1046 -6.1046 -6.0880 -6.0880 -6.0538 -6.0538 -6.0349 -6.0349 -5.3020 -5.3020 -5.2837 -5.2837 -5.2329 -5.2329 -5.2056 -5.2056 -5.1422 -5.1422 -5.1371 -5.1371 -2.2777 -2.2777 -2.2004 -2.2004 -1.1811 -1.1811 2.9654 2.9654 3.0038 3.0038 4.6730 4.6730 4.9241 4.9241 5.2800 5.2800 6.0262 6.0262 6.1496 6.1496 8.5564 8.5564 8.8928 8.8928 9.8595 9.8595 11.4877 11.4877 13.0638 13.0638 13.4243 13.4243 k = 0.7295-0.3571-0.8096 ( 3972 PWs) bands (ev): -6.1042 -6.1042 -6.0871 -6.0871 -6.0524 -6.0524 -6.0349 -6.0349 -5.3019 -5.3019 -5.2824 -5.2824 -5.2307 -5.2307 -5.2056 -5.2056 -5.1427 -5.1427 -5.1374 -5.1374 -2.3347 -2.3347 -2.2602 -2.2602 -1.1707 -1.1707 3.0171 3.0171 3.0659 3.0659 4.6519 4.6519 4.8944 4.8944 5.3680 5.3680 6.1309 6.1309 6.2438 6.2438 8.6054 8.6054 8.8894 8.8894 9.8494 9.8494 11.4327 11.4327 13.1195 13.1195 13.4460 13.4460 k = 0.7230-0.3436-0.7845 ( 3972 PWs) bands (ev): -6.1036 -6.1036 -6.0862 -6.0862 -6.0510 -6.0510 -6.0350 -6.0350 -5.3016 -5.3016 -5.2810 -5.2810 -5.2285 -5.2285 -5.2055 -5.2055 -5.1433 -5.1433 -5.1379 -5.1379 -2.3922 -2.3922 -2.3206 -2.3206 -1.1635 -1.1635 3.0654 3.0654 3.1335 3.1335 4.6337 4.6337 4.8783 4.8783 5.4578 5.4578 6.2370 6.2370 6.3421 6.3421 8.6501 8.6501 8.8805 8.8805 9.8442 9.8442 11.3740 11.3740 13.1762 13.1762 13.4704 13.4704 k = 0.7164-0.3301-0.7594 ( 3978 PWs) bands (ev): -6.1028 -6.1028 -6.0850 -6.0850 -6.0498 -6.0498 -6.0350 -6.0350 -5.3011 -5.3011 -5.2795 -5.2795 -5.2264 -5.2264 -5.2055 -5.2055 -5.1439 -5.1439 -5.1384 -5.1384 -2.4501 -2.4501 -2.3814 -2.3814 -1.1596 -1.1596 3.1085 3.1085 3.2066 3.2066 4.6204 4.6204 4.8761 4.8761 5.5488 5.5488 6.3443 6.3443 6.4438 6.4438 8.6880 8.6880 8.8686 8.8686 9.8441 9.8441 11.3131 11.3131 13.2312 13.2312 13.4962 13.4962 k = 0.7099-0.3166-0.7343 ( 3978 PWs) bands (ev): -6.1019 -6.1019 -6.0838 -6.0838 -6.0486 -6.0486 -6.0351 -6.0351 -5.3004 -5.3004 -5.2778 -5.2778 -5.2244 -5.2244 -5.2055 -5.2055 -5.1446 -5.1446 -5.1389 -5.1389 -2.5081 -2.5081 -2.4423 -2.4423 -1.1588 -1.1588 3.1445 3.1445 3.2848 3.2848 4.6153 4.6153 4.8870 4.8870 5.6406 5.6406 6.4522 6.4522 6.5487 6.5487 8.7132 8.7132 8.8599 8.8599 9.8491 9.8491 11.2513 11.2513 13.2812 13.2812 13.5219 13.5219 k = 0.7033-0.3031-0.7092 ( 3972 PWs) bands (ev): -6.1007 -6.1007 -6.0825 -6.0825 -6.0476 -6.0476 -6.0352 -6.0352 -5.2995 -5.2995 -5.2760 -5.2760 -5.2225 -5.2225 -5.2056 -5.2056 -5.1453 -5.1453 -5.1395 -5.1395 -2.5659 -2.5659 -2.5032 -2.5032 -1.1611 -1.1611 3.1720 3.1720 3.3678 3.3678 4.6211 4.6211 4.9097 4.9097 5.7328 5.7328 6.5605 6.5605 6.6563 6.6563 8.7173 8.7173 8.8636 8.8636 9.8590 9.8590 11.1897 11.1897 13.3214 13.3214 13.5446 13.5446 k = 0.6967-0.2897-0.6841 ( 3968 PWs) bands (ev): -6.0994 -6.0994 -6.0810 -6.0810 -6.0466 -6.0466 -6.0353 -6.0353 -5.2985 -5.2985 -5.2741 -5.2741 -5.2208 -5.2208 -5.2056 -5.2056 -5.1460 -5.1460 -5.1401 -5.1401 -2.6234 -2.6234 -2.5639 -2.5639 -1.1665 -1.1665 3.1896 3.1896 3.4553 3.4553 4.6404 4.6404 4.9430 4.9430 5.8252 5.8252 6.6686 6.6686 6.7662 6.7662 8.6990 8.6990 8.8817 8.8817 9.8734 9.8734 11.1290 11.1290 13.3441 13.3441 13.5602 13.5602 k = 0.6902-0.2762-0.6590 ( 3970 PWs) bands (ev): -6.0980 -6.0980 -6.0794 -6.0794 -6.0457 -6.0457 -6.0354 -6.0354 -5.2972 -5.2972 -5.2720 -5.2720 -5.2192 -5.2192 -5.2056 -5.2056 -5.1468 -5.1468 -5.1408 -5.1408 -2.6804 -2.6804 -2.6241 -2.6241 -1.1747 -1.1747 3.1968 3.1968 3.5472 3.5472 4.6744 4.6744 4.9862 4.9862 5.9172 5.9172 6.7763 6.7763 6.8781 6.8781 8.6667 8.6667 8.9068 8.9068 9.8918 9.8918 11.0702 11.0702 13.3397 13.3397 13.5681 13.5681 k = 0.6836-0.2627-0.6339 ( 3968 PWs) bands (ev): -6.0964 -6.0964 -6.0778 -6.0778 -6.0448 -6.0448 -6.0355 -6.0355 -5.2958 -5.2958 -5.2699 -5.2699 -5.2176 -5.2176 -5.2057 -5.2057 -5.1476 -5.1476 -5.1416 -5.1416 -2.7366 -2.7366 -2.6837 -2.6837 -1.1855 -1.1855 3.1939 3.1939 3.6432 3.6432 4.7235 4.7235 5.0383 5.0383 6.0087 6.0087 6.8832 6.8832 6.9914 6.9914 8.6270 8.6270 8.9328 8.9328 9.9141 9.9141 11.0139 11.0139 13.3066 13.3066 13.5708 13.5708 k = 0.6771-0.2492-0.6088 ( 3968 PWs) bands (ev): -6.0947 -6.0947 -6.0761 -6.0761 -6.0441 -6.0441 -6.0357 -6.0357 -5.2942 -5.2942 -5.2676 -5.2676 -5.2163 -5.2163 -5.2057 -5.2057 -5.1485 -5.1485 -5.1423 -5.1423 -2.7920 -2.7920 -2.7425 -2.7425 -1.1988 -1.1988 3.1817 3.1817 3.7430 3.7430 4.7870 4.7870 5.0990 5.0990 6.0993 6.0993 6.9888 6.9888 7.1056 7.1056 8.5838 8.5838 8.9572 8.9572 9.9398 9.9398 10.9607 10.9607 13.2538 13.2538 13.5638 13.5638 k = 0.6705-0.2357-0.5837 ( 3962 PWs) bands (ev): -6.0929 -6.0929 -6.0744 -6.0744 -6.0434 -6.0434 -6.0358 -6.0358 -5.2925 -5.2925 -5.2652 -5.2652 -5.2150 -5.2150 -5.2057 -5.2057 -5.1494 -5.1494 -5.1431 -5.1431 -2.8463 -2.8463 -2.8003 -2.8003 -1.2144 -1.2144 3.1616 3.1616 3.8464 3.8464 4.8637 4.8637 5.1676 5.1676 6.1886 6.1886 7.0927 7.0927 7.2201 7.2201 8.5389 8.5389 8.9785 8.9785 9.9690 9.9690 10.9113 10.9113 13.1909 13.1909 13.5442 13.5442 k = 0.6640-0.2222-0.5586 ( 3966 PWs) bands (ev): -6.0910 -6.0910 -6.0726 -6.0726 -6.0428 -6.0428 -6.0360 -6.0360 -5.2906 -5.2906 -5.2627 -5.2627 -5.2139 -5.2139 -5.2057 -5.2057 -5.1502 -5.1502 -5.1440 -5.1440 -2.8994 -2.8994 -2.8571 -2.8571 -1.2320 -1.2320 3.1351 3.1351 3.9533 3.9533 4.9521 4.9521 5.2437 5.2437 6.2764 6.2764 7.1943 7.1943 7.3342 7.3342 8.4942 8.4942 8.9961 8.9961 10.0017 10.0017 10.8663 10.8663 13.1233 13.1233 13.5159 13.5159 k = 0.6574-0.2087-0.5335 ( 3960 PWs) bands (ev): -6.0890 -6.0890 -6.0707 -6.0707 -6.0423 -6.0423 -6.0361 -6.0361 -5.2886 -5.2886 -5.2602 -5.2602 -5.2130 -5.2130 -5.2055 -5.2055 -5.1512 -5.1512 -5.1448 -5.1448 -2.9512 -2.9512 -2.9126 -2.9126 -1.2513 -1.2513 3.1037 3.1037 4.0633 4.0633 5.0507 5.0507 5.3269 5.3269 6.3622 6.3622 7.2929 7.2929 7.4472 7.4472 8.4508 8.4508 9.0093 9.0093 10.0381 10.0381 10.8266 10.8266 13.0538 13.0538 13.4835 13.4835 k = 0.6508-0.1952-0.5084 ( 3956 PWs) bands (ev): -6.0869 -6.0869 -6.0689 -6.0689 -6.0418 -6.0418 -6.0363 -6.0363 -5.2864 -5.2864 -5.2575 -5.2575 -5.2121 -5.2121 -5.2053 -5.2053 -5.1521 -5.1521 -5.1457 -5.1457 -3.0015 -3.0015 -2.9667 -2.9667 -1.2722 -1.2722 3.0687 3.0687 4.1764 4.1764 5.1581 5.1581 5.4167 5.4167 6.4457 6.4457 7.3874 7.3874 7.5583 7.5583 8.4101 8.4101 9.0179 9.0179 10.0785 10.0785 10.7928 10.7928 12.9836 12.9836 13.4495 13.4495 k = 0.6443-0.1817-0.4833 ( 3956 PWs) bands (ev): -6.0847 -6.0847 -6.0671 -6.0671 -6.0415 -6.0415 -6.0364 -6.0364 -5.2841 -5.2841 -5.2549 -5.2549 -5.2115 -5.2115 -5.2050 -5.2050 -5.1530 -5.1530 -5.1466 -5.1466 -3.0503 -3.0503 -3.0194 -3.0194 -1.2943 -1.2943 3.0314 3.0314 4.2922 4.2922 5.2728 5.2728 5.5129 5.5129 6.5266 6.5266 7.4769 7.4769 7.6666 7.6666 8.3735 8.3735 9.0214 9.0214 10.1232 10.1232 10.7657 10.7657 12.9135 12.9135 13.4148 13.4148 k = 0.6377-0.1682-0.4582 ( 3952 PWs) bands (ev): -6.0825 -6.0825 -6.0653 -6.0653 -6.0411 -6.0411 -6.0365 -6.0365 -5.2817 -5.2817 -5.2522 -5.2522 -5.2109 -5.2109 -5.2046 -5.2046 -5.1539 -5.1539 -5.1475 -5.1475 -3.0974 -3.0974 -3.0705 -3.0705 -1.3174 -1.3174 2.9926 2.9926 4.4105 4.4105 5.3937 5.3937 5.6150 5.6150 6.6045 6.6045 7.5599 7.5599 7.7710 7.7710 8.3429 8.3429 9.0198 9.0198 10.1728 10.1728 10.7462 10.7462 12.8439 12.8439 13.3794 13.3794 k = 0.6312-0.1547-0.4331 ( 3956 PWs) bands (ev): -6.0803 -6.0803 -6.0636 -6.0636 -6.0409 -6.0409 -6.0366 -6.0366 -5.2792 -5.2792 -5.2496 -5.2496 -5.2104 -5.2104 -5.2042 -5.2042 -5.1549 -5.1549 -5.1484 -5.1484 -3.1428 -3.1428 -3.1200 -3.1200 -1.3413 -1.3413 2.9532 2.9532 4.5312 4.5312 5.5197 5.5197 5.7225 5.7225 6.6791 6.6791 7.6345 7.6345 7.8703 7.8703 8.3203 8.3203 9.0129 9.0129 10.2276 10.2276 10.7349 10.7349 12.7746 12.7746 13.3428 13.3428 k = 0.6246-0.1413-0.4080 ( 3958 PWs) bands (ev): -6.0781 -6.0781 -6.0619 -6.0619 -6.0407 -6.0407 -6.0367 -6.0367 -5.2767 -5.2767 -5.2470 -5.2470 -5.2100 -5.2100 -5.2036 -5.2036 -5.1558 -5.1558 -5.1493 -5.1493 -3.1864 -3.1864 -3.1676 -3.1676 -1.3657 -1.3657 2.9137 2.9137 4.6540 4.6540 5.6499 5.6499 5.8351 5.8351 6.7501 6.7501 7.6988 7.6988 7.9628 7.9628 8.3084 8.3084 9.0005 9.0005 10.2881 10.2881 10.7326 10.7326 12.7056 12.7056 13.3039 13.3039 k = 0.6180-0.1278-0.3829 ( 3962 PWs) bands (ev): -6.0758 -6.0758 -6.0604 -6.0604 -6.0406 -6.0406 -6.0367 -6.0367 -5.2741 -5.2741 -5.2445 -5.2445 -5.2095 -5.2095 -5.2030 -5.2030 -5.1567 -5.1567 -5.1502 -5.1502 -3.2280 -3.2280 -3.2134 -3.2134 -1.3903 -1.3903 2.8747 2.8747 4.7786 4.7786 5.7833 5.7833 5.9522 5.9522 6.8172 6.8172 7.7509 7.7509 8.0466 8.0466 8.3102 8.3102 8.9828 8.9828 10.3545 10.3545 10.7399 10.7399 12.6365 12.6365 13.2611 13.2611 k = 0.6115-0.1143-0.3578 ( 3964 PWs) bands (ev): -6.0736 -6.0736 -6.0589 -6.0589 -6.0405 -6.0405 -6.0366 -6.0366 -5.2715 -5.2715 -5.2421 -5.2421 -5.2089 -5.2089 -5.2024 -5.2024 -5.1576 -5.1576 -5.1511 -5.1511 -3.2677 -3.2677 -3.2572 -3.2572 -1.4150 -1.4150 2.8365 2.8365 4.9047 4.9047 5.9189 5.9189 6.0734 6.0734 6.8805 6.8805 7.7896 7.7896 8.1197 8.1197 8.3277 8.3277 8.9599 8.9599 10.4272 10.4272 10.7574 10.7574 12.5669 12.5669 13.2125 13.2125 k = 0.6049-0.1008-0.3327 ( 3966 PWs) bands (ev): -6.0714 -6.0714 -6.0575 -6.0575 -6.0405 -6.0405 -6.0366 -6.0366 -5.2688 -5.2688 -5.2398 -5.2398 -5.2083 -5.2083 -5.2017 -5.2017 -5.1584 -5.1584 -5.1520 -5.1520 -3.3054 -3.3054 -3.2990 -3.2990 -1.4394 -1.4394 2.7996 2.7996 5.0322 5.0322 6.0556 6.0556 6.1980 6.1980 6.9399 6.9399 7.8156 7.8156 8.1811 8.1811 8.3602 8.3602 8.9325 8.9325 10.5061 10.5061 10.7853 10.7853 12.4960 12.4960 13.1554 13.1554 k = 0.5984-0.0873-0.3076 ( 3964 PWs) bands (ev): -6.0693 -6.0693 -6.0562 -6.0562 -6.0405 -6.0405 -6.0364 -6.0364 -5.2663 -5.2663 -5.2378 -5.2378 -5.2075 -5.2075 -5.2010 -5.2010 -5.1593 -5.1593 -5.1529 -5.1529 -3.3411 -3.3411 -3.3387 -3.3387 -1.4635 -1.4635 2.7640 2.7640 5.1606 5.1606 6.1920 6.1920 6.3254 6.3254 6.9961 6.9961 7.8315 7.8315 8.2325 8.2325 8.4026 8.4026 8.9012 8.9012 10.5908 10.5908 10.8237 10.8237 12.4228 12.4228 13.0872 13.0872 k = 0.5918-0.0738-0.2825 ( 3960 PWs) bands (ev): -6.0672 -6.0672 -6.0550 -6.0550 -6.0405 -6.0405 -6.0362 -6.0362 -5.2637 -5.2637 -5.2359 -5.2359 -5.2066 -5.2066 -5.2003 -5.2003 -5.1601 -5.1601 -5.1537 -5.1537 -3.3763 -3.3763 -3.3744 -3.3744 -1.4869 -1.4869 2.7302 2.7302 5.2896 5.2896 6.3265 6.3265 6.4548 6.4548 7.0500 7.0500 7.8405 7.8405 8.2765 8.2765 8.4476 8.4476 8.8674 8.8674 10.6807 10.6807 10.8721 10.8721 12.3463 12.3463 13.0056 13.0056 k = 0.5853-0.0603-0.2575 ( 3962 PWs) bands (ev): -6.0653 -6.0653 -6.0540 -6.0540 -6.0405 -6.0405 -6.0360 -6.0360 -5.2613 -5.2613 -5.2343 -5.2343 -5.2055 -5.2055 -5.1995 -5.1995 -5.1609 -5.1609 -5.1545 -5.1545 -3.4115 -3.4115 -3.4058 -3.4058 -1.5096 -1.5096 2.6982 2.6982 5.4189 5.4189 6.4566 6.4566 6.5852 6.5852 7.1036 7.1036 7.8458 7.8458 8.3143 8.3143 8.4890 8.4890 8.8332 8.8332 10.7745 10.7745 10.9301 10.9301 12.2654 12.2654 12.9096 12.9096 k = 0.5787-0.0468-0.2324 ( 3956 PWs) bands (ev): -6.0635 -6.0635 -6.0530 -6.0530 -6.0406 -6.0406 -6.0358 -6.0358 -5.2590 -5.2590 -5.2330 -5.2330 -5.2043 -5.2043 -5.1986 -5.1986 -5.1616 -5.1616 -5.1553 -5.1553 -3.4445 -3.4445 -3.4350 -3.4350 -1.5313 -1.5313 2.6681 2.6681 5.5480 5.5480 6.5785 6.5785 6.7157 6.7157 7.1600 7.1600 7.8495 7.8495 8.3458 8.3458 8.5216 8.5216 8.8021 8.8021 10.8703 10.8703 10.9963 10.9963 12.1795 12.1795 12.8010 12.8010 k = 0.5721-0.0333-0.2073 ( 3950 PWs) bands (ev): -6.0618 -6.0618 -6.0521 -6.0521 -6.0406 -6.0406 -6.0355 -6.0355 -5.2568 -5.2568 -5.2319 -5.2319 -5.2030 -5.2030 -5.1977 -5.1977 -5.1624 -5.1624 -5.1560 -5.1560 -3.4750 -3.4750 -3.4619 -3.4619 -1.5518 -1.5518 2.6402 2.6402 5.6764 5.6764 6.6869 6.6869 6.8457 6.8457 7.2238 7.2238 7.8527 7.8527 8.3694 8.3694 8.5416 8.5416 8.7791 8.7791 10.9652 10.9652 11.0688 11.0688 12.0897 12.0897 12.6836 12.6836 k = 0.5656-0.0198-0.1822 ( 3946 PWs) bands (ev): -6.0603 -6.0603 -6.0513 -6.0513 -6.0406 -6.0406 -6.0353 -6.0353 -5.2548 -5.2548 -5.2310 -5.2310 -5.2016 -5.2016 -5.1967 -5.1967 -5.1630 -5.1630 -5.1567 -5.1567 -3.5031 -3.5031 -3.4866 -3.4866 -1.5711 -1.5711 2.6144 2.6144 5.8037 5.8037 6.7762 6.7762 6.9746 6.9746 7.2995 7.2995 7.8561 7.8561 8.3819 8.3819 8.5476 8.5476 8.7687 8.7687 11.0556 11.0556 11.1438 11.1438 11.9993 11.9993 12.5637 12.5637 k = 0.5590-0.0063-0.1571 ( 3942 PWs) bands (ev): -6.0589 -6.0589 -6.0506 -6.0506 -6.0405 -6.0405 -6.0351 -6.0351 -5.2530 -5.2530 -5.2302 -5.2302 -5.2002 -5.2002 -5.1956 -5.1956 -5.1637 -5.1637 -5.1573 -5.1573 -3.5288 -3.5288 -3.5089 -3.5089 -1.5890 -1.5890 2.5909 2.5909 5.9291 5.9291 6.8432 6.8432 7.1016 7.1016 7.3893 7.3893 7.8593 7.8593 8.3792 8.3792 8.5451 8.5451 8.7707 8.7707 11.1364 11.1364 11.2139 11.2139 11.9163 11.9163 12.4494 12.4494 k = 0.5525 0.0072-0.1320 ( 3940 PWs) bands (ev): -6.0578 -6.0578 -6.0498 -6.0498 -6.0404 -6.0404 -6.0349 -6.0349 -5.2514 -5.2514 -5.2296 -5.2296 -5.1989 -5.1989 -5.1945 -5.1945 -5.1643 -5.1643 -5.1579 -5.1579 -3.5519 -3.5519 -3.5290 -3.5290 -1.6053 -1.6053 2.5697 2.5697 6.0520 6.0520 6.8891 6.8891 7.2252 7.2252 7.4913 7.4913 7.8619 7.8619 8.3593 8.3593 8.5419 8.5419 8.7804 8.7804 11.1993 11.1993 11.2683 11.2683 11.8534 11.8534 12.3510 12.3510 k = 0.5459 0.0206-0.1069 ( 3936 PWs) bands (ev): -6.0569 -6.0569 -6.0492 -6.0492 -6.0402 -6.0402 -6.0349 -6.0349 -5.2500 -5.2500 -5.2292 -5.2292 -5.1977 -5.1977 -5.1934 -5.1934 -5.1649 -5.1649 -5.1584 -5.1584 -3.5724 -3.5724 -3.5467 -3.5467 -1.6199 -1.6199 2.5510 2.5510 6.1714 6.1714 6.9179 6.9179 7.3431 7.3431 7.6007 7.6007 7.8632 7.8632 8.3263 8.3263 8.5401 8.5401 8.7937 8.7937 11.2267 11.2267 11.3019 11.3019 11.8243 11.8243 12.2813 12.2813 k = 0.5393 0.0341-0.0818 ( 3940 PWs) bands (ev): -6.0562 -6.0562 -6.0486 -6.0486 -6.0399 -6.0399 -6.0349 -6.0349 -5.2488 -5.2488 -5.2288 -5.2288 -5.1965 -5.1965 -5.1923 -5.1923 -5.1654 -5.1654 -5.1589 -5.1589 -3.5902 -3.5902 -3.5622 -3.5622 -1.6328 -1.6328 2.5346 2.5346 6.2862 6.2862 6.9337 6.9337 7.4526 7.4526 7.7116 7.7116 7.8635 7.8635 8.2871 8.2871 8.5371 8.5371 8.8082 8.8082 11.2048 11.2048 11.3175 11.3175 11.8302 11.8302 12.2528 12.2528 k = 0.5328 0.0476-0.0567 ( 3936 PWs) bands (ev): -6.0556 -6.0556 -6.0481 -6.0481 -6.0395 -6.0395 -6.0349 -6.0349 -5.2477 -5.2477 -5.2285 -5.2285 -5.1955 -5.1955 -5.1913 -5.1913 -5.1658 -5.1658 -5.1593 -5.1593 -3.6054 -3.6054 -3.5752 -3.5752 -1.6439 -1.6439 2.5207 2.5207 6.3951 6.3951 6.9393 6.9393 7.5509 7.5509 7.8087 7.8087 7.8727 7.8727 8.2483 8.2483 8.5295 8.5295 8.8230 8.8230 11.1504 11.1504 11.3098 11.3098 11.8572 11.8572 12.2695 12.2695 k = 0.5262 0.0611-0.0316 ( 3938 PWs) bands (ev): -6.0552 -6.0552 -6.0478 -6.0478 -6.0390 -6.0390 -6.0351 -6.0351 -5.2469 -5.2469 -5.2283 -5.2283 -5.1946 -5.1946 -5.1904 -5.1904 -5.1662 -5.1662 -5.1596 -5.1596 -3.6179 -3.6179 -3.5859 -3.5859 -1.6530 -1.6530 2.5093 2.5093 6.4964 6.4964 6.9365 6.9365 7.6344 7.6344 7.8330 7.8330 7.9467 7.9467 8.2147 8.2147 8.5148 8.5148 8.8375 8.8375 11.0855 11.0855 11.2804 11.2804 11.8919 11.8919 12.3204 12.3204 k = 0.5197 0.0746-0.0065 ( 3932 PWs) bands (ev): -6.0549 -6.0549 -6.0475 -6.0475 -6.0385 -6.0385 -6.0353 -6.0353 -5.2463 -5.2463 -5.2282 -5.2282 -5.1939 -5.1939 -5.1897 -5.1897 -5.1665 -5.1665 -5.1599 -5.1599 -3.6276 -3.6276 -3.5942 -3.5942 -1.6602 -1.6602 2.5004 2.5004 6.5880 6.5880 6.9260 6.9260 7.6991 7.6991 7.8274 7.8274 8.0405 8.0405 8.1907 8.1907 8.4915 8.4915 8.8510 8.8510 11.0244 11.0244 11.2406 11.2406 11.9259 11.9259 12.3852 12.3852 k = 0.5131 0.0881 0.0186 ( 3924 PWs) bands (ev): -6.0547 -6.0547 -6.0473 -6.0473 -6.0379 -6.0379 -6.0356 -6.0356 -5.2459 -5.2459 -5.2281 -5.2281 -5.1934 -5.1934 -5.1891 -5.1891 -5.1667 -5.1667 -5.1601 -5.1601 -3.6346 -3.6346 -3.6002 -3.6002 -1.6654 -1.6654 2.4940 2.4940 6.6669 6.6669 6.9082 6.9082 7.7396 7.7396 7.8242 7.8242 8.1149 8.1149 8.1864 8.1864 8.4597 8.4597 8.8623 8.8623 10.9756 10.9756 11.2029 11.2029 11.9533 11.9533 12.4437 12.4437 k = 0.5066 0.1016 0.0437 ( 3924 PWs) bands (ev): -6.0546 -6.0546 -6.0472 -6.0472 -6.0374 -6.0374 -6.0360 -6.0360 -5.2456 -5.2456 -5.2280 -5.2280 -5.1930 -5.1930 -5.1888 -5.1888 -5.1669 -5.1669 -5.1602 -5.1602 -3.6388 -3.6388 -3.6038 -3.6038 -1.6685 -1.6685 2.4902 2.4902 6.7274 6.7274 6.8860 6.8860 7.7546 7.7546 7.8295 7.8295 8.1369 8.1369 8.2252 8.2252 8.4240 8.4240 8.8699 8.8699 10.9444 10.9444 11.1766 11.1766 11.9706 11.9706 12.4819 12.4819 k = 0.5000 0.1151 0.0688 ( 3928 PWs) bands (ev): -6.0546 -6.0546 -6.0472 -6.0472 -6.0371 -6.0371 -6.0362 -6.0362 -5.2455 -5.2455 -5.2280 -5.2280 -5.1929 -5.1929 -5.1887 -5.1887 -5.1669 -5.1669 -5.1602 -5.1602 -3.6402 -3.6402 -3.6050 -3.6050 -1.6695 -1.6695 2.4889 2.4889 6.7536 6.7536 6.8729 6.8729 7.7569 7.7569 7.8337 7.8337 8.1377 8.1377 8.2530 8.2530 8.4040 8.4040 8.8726 8.8726 10.9337 10.9337 11.1672 11.1672 11.9765 11.9765 12.4949 12.4949 k = 0.5000 0.1151 0.0688 ( 3928 PWs) bands (ev): -6.0546 -6.0546 -6.0472 -6.0472 -6.0371 -6.0371 -6.0362 -6.0362 -5.2455 -5.2455 -5.2280 -5.2280 -5.1929 -5.1929 -5.1887 -5.1887 -5.1669 -5.1669 -5.1602 -5.1602 -3.6402 -3.6402 -3.6050 -3.6050 -1.6695 -1.6695 2.4889 2.4889 6.7536 6.7536 6.8729 6.8729 7.7569 7.7569 7.8337 7.8337 8.1377 8.1377 8.2530 8.2530 8.4040 8.4040 8.8726 8.8726 10.9337 10.9337 11.1672 11.1672 11.9765 11.9765 12.4949 12.4949 k = 0.4722 0.1087 0.0650 ( 3925 PWs) bands (ev): -6.0546 -6.0546 -6.0472 -6.0472 -6.0371 -6.0371 -6.0362 -6.0362 -5.2455 -5.2455 -5.2280 -5.2280 -5.1929 -5.1929 -5.1887 -5.1887 -5.1669 -5.1669 -5.1602 -5.1602 -3.6679 -3.6679 -3.5751 -3.5751 -1.6733 -1.6733 2.4947 2.4947 6.6617 6.6617 6.9562 6.9562 7.7592 7.7592 7.8375 7.8375 8.1378 8.1378 8.2553 8.2553 8.4030 8.4030 8.8739 8.8739 10.9293 10.9293 11.1690 11.1690 11.9760 11.9760 12.4864 12.4864 k = 0.4444 0.1023 0.0611 ( 3919 PWs) bands (ev): -6.0545 -6.0545 -6.0472 -6.0472 -6.0371 -6.0371 -6.0362 -6.0362 -5.2455 -5.2455 -5.2280 -5.2280 -5.1929 -5.1929 -5.1887 -5.1887 -5.1669 -5.1669 -5.1602 -5.1602 -3.7059 -3.7059 -3.5306 -3.5306 -1.6846 -1.6846 2.5119 2.5119 6.5228 6.5228 7.0685 7.0685 7.7638 7.7638 7.8522 7.8522 8.1381 8.1381 8.2623 8.2623 8.4001 8.4001 8.8779 8.8779 10.9162 10.9162 11.1741 11.1741 11.9743 11.9743 12.4625 12.4625 k = 0.4167 0.0959 0.0573 ( 3919 PWs) bands (ev): -6.0545 -6.0545 -6.0472 -6.0472 -6.0371 -6.0371 -6.0362 -6.0362 -5.2455 -5.2455 -5.2280 -5.2280 -5.1929 -5.1929 -5.1887 -5.1887 -5.1669 -5.1669 -5.1602 -5.1602 -3.7428 -3.7428 -3.4830 -3.4830 -1.7032 -1.7032 2.5404 2.5404 6.3757 6.3757 7.1693 7.1693 7.7656 7.7656 7.8841 7.8841 8.1386 8.1386 8.2742 8.2742 8.3954 8.3954 8.8844 8.8844 10.8951 10.8951 11.1820 11.1820 11.9716 11.9716 12.4271 12.4271 k = 0.3889 0.0895 0.0535 ( 3919 PWs) bands (ev): -6.0545 -6.0545 -6.0472 -6.0472 -6.0371 -6.0371 -6.0362 -6.0362 -5.2455 -5.2455 -5.2281 -5.2281 -5.1929 -5.1929 -5.1888 -5.1888 -5.1669 -5.1669 -5.1602 -5.1602 -3.7777 -3.7777 -3.4331 -3.4331 -1.7288 -1.7288 2.5797 2.5797 6.2248 6.2248 7.2527 7.2527 7.7624 7.7624 7.9359 7.9359 8.1393 8.1393 8.2922 8.2922 8.3892 8.3892 8.8930 8.8930 10.8665 10.8665 11.1919 11.1919 11.9680 11.9680 12.3843 12.3843 k = 0.3611 0.0831 0.0497 ( 3919 PWs) bands (ev): -6.0545 -6.0545 -6.0472 -6.0472 -6.0371 -6.0371 -6.0362 -6.0362 -5.2454 -5.2454 -5.2281 -5.2281 -5.1928 -5.1928 -5.1888 -5.1888 -5.1670 -5.1670 -5.1602 -5.1602 -3.8104 -3.8104 -3.3812 -3.3812 -1.7608 -1.7608 2.6293 2.6293 6.0717 6.0717 7.3178 7.3178 7.7551 7.7551 8.0035 8.0035 8.1402 8.1402 8.3184 8.3184 8.3818 8.3818 8.9034 8.9034 10.8309 10.8309 11.2034 11.2034 11.9637 11.9637 12.3374 12.3374 k = 0.3333 0.0767 0.0459 ( 3925 PWs) bands (ev): -6.0545 -6.0545 -6.0472 -6.0472 -6.0372 -6.0372 -6.0362 -6.0362 -5.2454 -5.2454 -5.2282 -5.2282 -5.1928 -5.1928 -5.1888 -5.1888 -5.1670 -5.1670 -5.1601 -5.1601 -3.8408 -3.8408 -3.3275 -3.3275 -1.7988 -1.7988 2.6887 2.6887 5.9174 5.9174 7.3666 7.3666 7.7453 7.7453 8.0777 8.0777 8.1413 8.1413 8.3575 8.3575 8.3734 8.3734 8.9152 8.9152 10.7886 10.7886 11.2159 11.2159 11.9589 11.9589 12.2890 12.2890 k = 0.3056 0.0703 0.0420 ( 3937 PWs) bands (ev): -6.0545 -6.0545 -6.0473 -6.0473 -6.0372 -6.0372 -6.0362 -6.0362 -5.2453 -5.2453 -5.2282 -5.2282 -5.1928 -5.1928 -5.1889 -5.1889 -5.1670 -5.1670 -5.1601 -5.1601 -3.8690 -3.8690 -3.2720 -3.2720 -1.8422 -1.8422 2.7571 2.7571 5.7628 5.7628 7.4030 7.4030 7.7337 7.7337 8.1426 8.1426 8.1457 8.1457 8.3644 8.3644 8.4167 8.4167 8.9280 8.9280 10.7400 10.7400 11.2291 11.2291 11.9537 11.9537 12.2410 12.2410 k = 0.2778 0.0639 0.0382 ( 3931 PWs) bands (ev): -6.0545 -6.0545 -6.0473 -6.0473 -6.0372 -6.0372 -6.0362 -6.0362 -5.2453 -5.2453 -5.2283 -5.2283 -5.1927 -5.1927 -5.1889 -5.1889 -5.1671 -5.1671 -5.1601 -5.1601 -3.8947 -3.8947 -3.2149 -3.2149 -1.8903 -1.8903 2.8339 2.8339 5.6085 5.6085 7.4306 7.4306 7.7210 7.7210 8.1441 8.1441 8.1984 8.1984 8.3550 8.3550 8.5002 8.5002 8.9413 8.9413 10.6851 10.6851 11.2428 11.2428 11.9483 11.9483 12.1946 12.1946 k = 0.2500 0.0575 0.0344 ( 3925 PWs) bands (ev): -6.0544 -6.0544 -6.0473 -6.0473 -6.0372 -6.0372 -6.0362 -6.0362 -5.2452 -5.2452 -5.2283 -5.2283 -5.1927 -5.1927 -5.1890 -5.1890 -5.1671 -5.1671 -5.1600 -5.1600 -3.9181 -3.9181 -3.1563 -3.1563 -1.9425 -1.9425 2.9181 2.9181 5.4551 5.4551 7.4523 7.4523 7.7077 7.7077 8.1457 8.1457 8.2359 8.2359 8.3456 8.3456 8.6037 8.6037 8.9548 8.9548 10.6243 10.6243 11.2566 11.2566 11.9428 11.9428 12.1508 12.1508 k = 0.2222 0.0511 0.0306 ( 3922 PWs) bands (ev): -6.0544 -6.0544 -6.0473 -6.0473 -6.0372 -6.0372 -6.0362 -6.0362 -5.2452 -5.2452 -5.2284 -5.2284 -5.1926 -5.1926 -5.1890 -5.1890 -5.1671 -5.1671 -5.1600 -5.1600 -3.9390 -3.9390 -3.0964 -3.0964 -1.9980 -1.9980 3.0090 3.0090 5.3033 5.3033 7.4701 7.4701 7.6939 7.6939 8.1475 8.1475 8.2633 8.2633 8.3363 8.3363 8.7190 8.7190 8.9680 8.9680 10.5578 10.5578 11.2702 11.2702 11.9373 11.9373 12.1107 12.1107 k = 0.1944 0.0448 0.0268 ( 3928 PWs) bands (ev): -6.0544 -6.0544 -6.0473 -6.0473 -6.0372 -6.0372 -6.0362 -6.0362 -5.2451 -5.2451 -5.2284 -5.2284 -5.1926 -5.1926 -5.1891 -5.1891 -5.1672 -5.1672 -5.1600 -5.1600 -3.9576 -3.9576 -3.0355 -3.0355 -2.0562 -2.0562 3.1054 3.1054 5.1539 5.1539 7.4853 7.4853 7.6800 7.6800 8.1493 8.1493 8.2845 8.2845 8.3275 8.3275 8.8399 8.8399 8.9806 8.9806 10.4861 10.4861 11.2833 11.2833 11.9317 11.9317 12.0747 12.0747 k = 0.1667 0.0384 0.0229 ( 3926 PWs) bands (ev): -6.0544 -6.0544 -6.0474 -6.0474 -6.0372 -6.0372 -6.0362 -6.0362 -5.2450 -5.2450 -5.2285 -5.2285 -5.1926 -5.1926 -5.1891 -5.1891 -5.1672 -5.1672 -5.1599 -5.1599 -3.9736 -3.9736 -2.9739 -2.9739 -2.1163 -2.1163 3.2061 3.2061 5.0078 5.0078 7.4988 7.4988 7.6663 7.6663 8.1511 8.1511 8.3016 8.3016 8.3192 8.3192 8.9623 8.9623 8.9923 8.9923 10.4099 10.4099 11.2955 11.2955 11.9261 11.9261 12.0435 12.0435 k = 0.1389 0.0320 0.0191 ( 3908 PWs) bands (ev): -6.0544 -6.0544 -6.0474 -6.0474 -6.0372 -6.0372 -6.0362 -6.0362 -5.2450 -5.2450 -5.2285 -5.2285 -5.1925 -5.1925 -5.1891 -5.1891 -5.1672 -5.1672 -5.1599 -5.1599 -3.9873 -3.9873 -2.9121 -2.9121 -2.1775 -2.1775 3.3095 3.3095 4.8665 4.8665 7.5112 7.5112 7.6529 7.6529 8.1529 8.1529 8.3118 8.3118 8.3155 8.3155 9.0028 9.0028 9.0832 9.0832 10.3299 10.3299 11.3066 11.3066 11.9204 11.9204 12.0176 12.0176 k = 0.1111 0.0256 0.0153 ( 3902 PWs) bands (ev): -6.0543 -6.0543 -6.0474 -6.0474 -6.0372 -6.0372 -6.0362 -6.0362 -5.2450 -5.2450 -5.2286 -5.2286 -5.1925 -5.1925 -5.1892 -5.1892 -5.1673 -5.1673 -5.1599 -5.1599 -3.9984 -3.9984 -2.8510 -2.8510 -2.2386 -2.2386 3.4131 3.4131 4.7321 4.7321 7.5226 7.5226 7.6400 7.6400 8.1546 8.1546 8.3055 8.3055 8.3266 8.3266 9.0117 9.0117 9.1998 9.1998 10.2479 10.2479 11.3162 11.3162 11.9147 11.9147 11.9972 11.9972 k = 0.0833 0.0192 0.0115 ( 3905 PWs) bands (ev): -6.0543 -6.0543 -6.0474 -6.0474 -6.0372 -6.0372 -6.0362 -6.0362 -5.2449 -5.2449 -5.2286 -5.2286 -5.1925 -5.1925 -5.1892 -5.1892 -5.1673 -5.1673 -5.1599 -5.1599 -4.0071 -4.0071 -2.7920 -2.7920 -2.2978 -2.2978 3.5131 3.5131 4.6084 4.6084 7.5332 7.5332 7.6280 7.6280 8.1560 8.1560 8.3003 8.3003 8.3352 8.3352 9.0189 9.0189 9.3086 9.3086 10.1666 10.1666 11.3239 11.3239 11.9094 11.9094 11.9821 11.9821 k = 0.0556 0.0128 0.0076 ( 3911 PWs) bands (ev): -6.0543 -6.0543 -6.0474 -6.0474 -6.0372 -6.0372 -6.0362 -6.0362 -5.2449 -5.2449 -5.2286 -5.2286 -5.1924 -5.1924 -5.1892 -5.1892 -5.1673 -5.1673 -5.1598 -5.1598 -4.0133 -4.0133 -2.7382 -2.7382 -2.3519 -2.3519 3.6023 3.6023 4.5023 4.5023 7.5425 7.5425 7.6175 7.6175 8.1572 8.1572 8.2964 8.2964 8.3413 8.3413 9.0241 9.0241 9.4035 9.4035 10.0916 10.0916 11.3296 11.3296 11.9048 11.9048 11.9720 11.9720 k = 0.0278 0.0064 0.0038 ( 3911 PWs) bands (ev): -6.0543 -6.0543 -6.0474 -6.0474 -6.0372 -6.0372 -6.0362 -6.0362 -5.2449 -5.2449 -5.2287 -5.2287 -5.1924 -5.1924 -5.1892 -5.1892 -5.1673 -5.1673 -5.1598 -5.1598 -4.0171 -4.0171 -2.6966 -2.6966 -2.3938 -2.3938 3.6683 3.6683 4.4263 4.4263 7.5495 7.5495 7.6097 7.6097 8.1579 8.1579 8.2941 8.2941 8.3450 8.3450 9.0273 9.0273 9.4733 9.4733 10.0339 10.0339 11.3331 11.3331 11.9017 11.9017 11.9663 11.9663 k = 0.0000 0.0000 0.0000 ( 3899 PWs) bands (ev): -6.0543 -6.0543 -6.0474 -6.0474 -6.0372 -6.0372 -6.0362 -6.0362 -5.2449 -5.2449 -5.2287 -5.2287 -5.1924 -5.1924 -5.1892 -5.1892 -5.1673 -5.1673 -5.1598 -5.1598 -4.0183 -4.0183 -2.6798 -2.6798 -2.4107 -2.4107 3.6935 3.6935 4.3977 4.3977 7.5523 7.5523 7.6067 7.6067 8.1581 8.1581 8.2933 8.2933 8.3462 8.3462 9.0284 9.0284 9.5002 9.5002 10.0110 10.0110 11.3343 11.3343 11.9006 11.9006 11.9645 11.9645 k = 0.0000 0.0000 0.0000 ( 3899 PWs) bands (ev): -6.0543 -6.0543 -6.0474 -6.0474 -6.0372 -6.0372 -6.0362 -6.0362 -5.2449 -5.2449 -5.2287 -5.2287 -5.1924 -5.1924 -5.1892 -5.1892 -5.1673 -5.1673 -5.1598 -5.1598 -4.0183 -4.0183 -2.6798 -2.6798 -2.4107 -2.4107 3.6935 3.6935 4.3977 4.3977 7.5523 7.5523 7.6067 7.6067 8.1581 8.1581 8.2933 8.2933 8.3462 8.3462 9.0284 9.0284 9.5002 9.5002 10.0110 10.0110 11.3343 11.3343 11.9006 11.9006 11.9645 11.9645 k = 0.0065-0.0134-0.0250 ( 3907 PWs) bands (ev): -6.0544 -6.0544 -6.0475 -6.0475 -6.0374 -6.0374 -6.0360 -6.0360 -5.2450 -5.2450 -5.2287 -5.2287 -5.1925 -5.1925 -5.1894 -5.1894 -5.1673 -5.1673 -5.1598 -5.1598 -4.0171 -4.0171 -2.6784 -2.6784 -2.4095 -2.4095 3.6936 3.6936 4.3979 4.3979 7.5437 7.5437 7.5962 7.5962 8.1566 8.1566 8.2893 8.2893 8.3385 8.3385 9.0151 9.0151 9.5044 9.5044 10.0290 10.0290 11.3436 11.3436 11.8501 11.8501 11.9911 11.9911 k = 0.0131-0.0268-0.0499 ( 3906 PWs) bands (ev): -6.0545 -6.0545 -6.0475 -6.0475 -6.0379 -6.0379 -6.0357 -6.0357 -5.2453 -5.2453 -5.2286 -5.2286 -5.1927 -5.1927 -5.1898 -5.1898 -5.1671 -5.1671 -5.1597 -5.1597 -4.0134 -4.0134 -2.6744 -2.6744 -2.4062 -2.4062 3.6937 3.6937 4.3985 4.3985 7.5183 7.5183 7.5654 7.5654 8.1515 8.1515 8.2776 8.2776 8.3157 8.3157 8.9776 8.9776 9.5171 9.5171 10.0801 10.0801 11.3682 11.3682 11.7643 11.7643 12.0260 12.0260 k = 0.0196-0.0403-0.0749 ( 3908 PWs) bands (ev): -6.0547 -6.0547 -6.0477 -6.0477 -6.0385 -6.0385 -6.0354 -6.0354 -5.2458 -5.2458 -5.2286 -5.2286 -5.1931 -5.1931 -5.1904 -5.1904 -5.1669 -5.1669 -5.1595 -5.1595 -4.0073 -4.0073 -2.6677 -2.6677 -2.4006 -2.4006 3.6938 3.6938 4.3995 4.3995 7.4770 7.4770 7.5161 7.5161 8.1419 8.1419 8.2567 8.2567 8.2810 8.2810 8.9214 8.9214 9.5381 9.5381 10.1580 10.1580 11.3961 11.3961 11.6798 11.6798 12.0682 12.0682 k = 0.0261-0.0537-0.0999 ( 3918 PWs) bands (ev): -6.0550 -6.0550 -6.0479 -6.0479 -6.0390 -6.0390 -6.0351 -6.0351 -5.2465 -5.2465 -5.2286 -5.2286 -5.1936 -5.1936 -5.1912 -5.1912 -5.1666 -5.1666 -5.1592 -5.1592 -3.9988 -3.9988 -2.6583 -2.6583 -2.3927 -2.3927 3.6937 3.6937 4.4008 4.4008 7.4213 7.4213 7.4509 7.4509 8.1245 8.1245 8.2148 8.2148 8.2500 8.2500 8.8531 8.8531 9.5658 9.5658 10.2561 10.2561 11.3985 11.3985 11.6277 11.6277 12.1256 12.1256 k = 0.0326-0.0671-0.1249 ( 3920 PWs) bands (ev): -6.0555 -6.0555 -6.0482 -6.0482 -6.0395 -6.0395 -6.0350 -6.0350 -5.2474 -5.2474 -5.2286 -5.2286 -5.1943 -5.1943 -5.1923 -5.1923 -5.1662 -5.1662 -5.1589 -5.1589 -3.9878 -3.9878 -2.6464 -2.6464 -2.3827 -2.3827 3.6935 3.6935 4.4021 4.4021 7.3525 7.3525 7.3737 7.3737 8.0878 8.0878 8.1624 8.1624 8.2248 8.2248 8.7777 8.7777 9.5980 9.5980 10.3688 10.3688 11.3486 11.3486 11.6328 11.6328 12.2027 12.2027 k = 0.0392-0.0805-0.1498 ( 3924 PWs) bands (ev): -6.0561 -6.0561 -6.0486 -6.0486 -6.0399 -6.0399 -6.0349 -6.0349 -5.2486 -5.2486 -5.2287 -5.2287 -5.1951 -5.1951 -5.1934 -5.1934 -5.1658 -5.1658 -5.1585 -5.1585 -3.9744 -3.9744 -2.6318 -2.6318 -2.3705 -2.3705 3.6929 3.6929 4.4032 4.4032 7.2694 7.2694 7.2908 7.2908 8.0141 8.0141 8.1258 8.1258 8.1988 8.1988 8.6988 8.6988 9.6319 9.6319 10.4917 10.4917 11.2701 11.2701 11.6692 11.6692 12.2999 12.2999 k = 0.0457-0.0940-0.1748 ( 3928 PWs) bands (ev): -6.0569 -6.0569 -6.0490 -6.0490 -6.0402 -6.0402 -6.0349 -6.0349 -5.2499 -5.2499 -5.2288 -5.2288 -5.1961 -5.1961 -5.1945 -5.1945 -5.1653 -5.1653 -5.1581 -5.1581 -3.9586 -3.9586 -2.6148 -2.6148 -2.3562 -2.3562 3.6916 3.6916 4.4039 4.4039 7.1728 7.1728 7.2065 7.2065 7.9132 7.9132 8.0987 8.0987 8.1701 8.1701 8.6179 8.6179 9.6650 9.6650 10.6214 10.6214 11.1876 11.1876 11.7119 11.7119 12.4081 12.4081 k = 0.0522-0.1074-0.1998 ( 3930 PWs) bands (ev): -6.0580 -6.0580 -6.0496 -6.0496 -6.0404 -6.0404 -6.0349 -6.0349 -5.2515 -5.2515 -5.2290 -5.2290 -5.1973 -5.1973 -5.1956 -5.1956 -5.1647 -5.1647 -5.1576 -5.1576 -3.9403 -3.9403 -2.5953 -2.5953 -2.3398 -2.3398 3.6895 3.6895 4.4038 4.4038 7.0682 7.0682 7.1203 7.1203 7.7969 7.7969 8.0725 8.0725 8.1372 8.1372 8.5361 8.5361 9.6948 9.6948 10.7550 10.7550 11.1102 11.1102 11.7537 11.7537 12.4911 12.4911 k = 0.0587-0.1208-0.2247 ( 3932 PWs) bands (ev): -6.0592 -6.0592 -6.0501 -6.0501 -6.0405 -6.0405 -6.0351 -6.0351 -5.2533 -5.2533 -5.2292 -5.2292 -5.1987 -5.1987 -5.1966 -5.1966 -5.1641 -5.1641 -5.1570 -5.1570 -3.9197 -3.9197 -2.5735 -2.5735 -2.3213 -2.3213 3.6863 3.6863 4.4025 4.4025 6.9589 6.9589 7.0327 7.0327 7.6706 7.6706 8.0448 8.0448 8.0985 8.0985 8.4542 8.4542 9.7198 9.7198 10.8883 10.8883 11.0425 11.0425 11.7933 11.7933 12.5512 12.5512 k = 0.0653-0.1342-0.2497 ( 3936 PWs) bands (ev): -6.0606 -6.0606 -6.0508 -6.0508 -6.0406 -6.0406 -6.0352 -6.0352 -5.2553 -5.2553 -5.2296 -5.2296 -5.2001 -5.2001 -5.1975 -5.1975 -5.1635 -5.1635 -5.1564 -5.1564 -3.8966 -3.8966 -2.5495 -2.5495 -2.3009 -2.3009 3.6816 3.6816 4.3994 4.3994 6.8473 6.8473 6.9452 6.9452 7.5379 7.5379 8.0143 8.0143 8.0523 8.0523 8.3736 8.3736 9.7384 9.7384 10.9641 10.9641 11.0409 11.0409 11.8312 11.8312 12.6094 12.6094 k = 0.0718-0.1477-0.2747 ( 3938 PWs) bands (ev): -6.0622 -6.0622 -6.0514 -6.0514 -6.0406 -6.0406 -6.0354 -6.0354 -5.2574 -5.2574 -5.2302 -5.2302 -5.2016 -5.2016 -5.1984 -5.1984 -5.1628 -5.1628 -5.1557 -5.1557 -3.8711 -3.8711 -2.5233 -2.5233 -2.2785 -2.2785 3.6752 3.6752 4.3940 4.3940 6.7353 6.7353 6.8591 6.8591 7.4015 7.4015 7.9763 7.9763 8.0003 8.0003 8.2966 8.2966 9.7501 9.7501 10.9192 10.9192 11.1662 11.1662 11.8683 11.8683 12.6693 12.6693 k = 0.0783-0.1611-0.2997 ( 3948 PWs) bands (ev): -6.0640 -6.0640 -6.0522 -6.0522 -6.0405 -6.0405 -6.0357 -6.0357 -5.2598 -5.2598 -5.2309 -5.2309 -5.2030 -5.2030 -5.1992 -5.1992 -5.1621 -5.1621 -5.1550 -5.1550 -3.8433 -3.8433 -2.4950 -2.4950 -2.2542 -2.2542 3.6667 3.6667 4.3857 4.3857 6.6241 6.6241 6.7756 6.7756 7.2637 7.2637 7.9133 7.9133 7.9575 7.9575 8.2253 8.2253 9.7544 9.7544 10.8752 10.8752 11.2939 11.2939 11.9052 11.9052 12.7308 12.7308 k = 0.0848-0.1745-0.3246 ( 3950 PWs) bands (ev): -6.0660 -6.0660 -6.0530 -6.0530 -6.0405 -6.0405 -6.0359 -6.0359 -5.2622 -5.2622 -5.2319 -5.2319 -5.2042 -5.2042 -5.2001 -5.2001 -5.1614 -5.1614 -5.1542 -5.1542 -3.8131 -3.8131 -2.4647 -2.4647 -2.2282 -2.2282 3.6558 3.6558 4.3737 4.3737 6.5148 6.5148 6.6957 6.6957 7.1267 7.1267 7.8289 7.8289 7.9198 7.9198 8.1602 8.1602 9.7514 9.7514 10.8374 10.8374 11.4150 11.4150 11.9425 11.9425 12.7916 12.7916 k = 0.0914-0.1879-0.3496 ( 3956 PWs) bands (ev): -6.0681 -6.0681 -6.0539 -6.0539 -6.0404 -6.0404 -6.0361 -6.0361 -5.2649 -5.2649 -5.2331 -5.2331 -5.2054 -5.2054 -5.2009 -5.2009 -5.1606 -5.1606 -5.1534 -5.1534 -3.7805 -3.7805 -2.4327 -2.4327 -2.2005 -2.2005 3.6421 3.6421 4.3572 4.3572 6.4079 6.4079 6.6202 6.6202 6.9925 6.9925 7.7310 7.7310 7.8809 7.8809 8.1004 8.1004 9.7412 9.7412 10.8052 10.8052 11.5253 11.5253 11.9804 11.9804 12.8445 12.8445 k = 0.0979-0.2014-0.3746 ( 3952 PWs) bands (ev): -6.0702 -6.0702 -6.0549 -6.0549 -6.0403 -6.0403 -6.0363 -6.0363 -5.2676 -5.2676 -5.2345 -5.2345 -5.2063 -5.2063 -5.2017 -5.2017 -5.1598 -5.1598 -5.1526 -5.1526 -3.7456 -3.7456 -2.3989 -2.3989 -2.1712 -2.1712 3.6253 3.6253 4.3355 4.3355 6.3035 6.3035 6.5497 6.5497 6.8634 6.8634 7.6233 7.6233 7.8399 7.8399 8.0437 8.0437 9.7241 9.7241 10.7778 10.7778 11.6201 11.6201 12.0193 12.0193 12.8704 12.8704 k = 0.1044-0.2148-0.3995 ( 3958 PWs) bands (ev): -6.0725 -6.0725 -6.0560 -6.0560 -6.0403 -6.0403 -6.0365 -6.0365 -5.2703 -5.2703 -5.2361 -5.2361 -5.2071 -5.2071 -5.2025 -5.2025 -5.1590 -5.1590 -5.1518 -5.1518 -3.7084 -3.7084 -2.3636 -2.3636 -2.1404 -2.1404 3.6053 3.6053 4.3080 4.3080 6.2012 6.2012 6.4845 6.4845 6.7421 6.7421 7.5090 7.5090 7.7966 7.7966 7.9883 7.9883 9.7004 9.7004 10.7544 10.7544 11.6938 11.6938 12.0593 12.0593 12.8650 12.8650 k = 0.1109-0.2282-0.4245 ( 3958 PWs) bands (ev): -6.0749 -6.0749 -6.0572 -6.0572 -6.0402 -6.0402 -6.0366 -6.0366 -5.2732 -5.2732 -5.2380 -5.2380 -5.2077 -5.2077 -5.2033 -5.2033 -5.1582 -5.1582 -5.1509 -5.1509 -3.6690 -3.6690 -2.3269 -2.3269 -2.1083 -2.1083 3.5817 3.5817 4.2740 4.2740 6.0996 6.0996 6.4246 6.4246 6.6316 6.6316 7.3905 7.3905 7.7509 7.7509 7.9327 7.9327 9.6700 9.6700 10.7344 10.7344 11.7404 11.7404 12.1006 12.1006 12.8590 12.8590 k = 0.1175-0.2416-0.4495 ( 3968 PWs) bands (ev): -6.0773 -6.0773 -6.0585 -6.0585 -6.0403 -6.0403 -6.0367 -6.0367 -5.2760 -5.2760 -5.2400 -5.2400 -5.2081 -5.2081 -5.2040 -5.2040 -5.1573 -5.1573 -5.1500 -5.1500 -3.6273 -3.6273 -2.2889 -2.2889 -2.0749 -2.0749 3.5547 3.5547 4.2332 4.2332 5.9973 5.9973 6.3693 6.3693 6.5348 6.5348 7.2701 7.2701 7.7030 7.7030 7.8762 7.8762 9.6331 9.6331 10.7176 10.7176 11.7557 11.7557 12.1435 12.1435 12.8710 12.8710 k = 0.1240-0.2551-0.4744 ( 3968 PWs) bands (ev): -6.0797 -6.0797 -6.0598 -6.0598 -6.0403 -6.0403 -6.0368 -6.0368 -5.2788 -5.2788 -5.2422 -5.2422 -5.2085 -5.2085 -5.2048 -5.2048 -5.1564 -5.1564 -5.1491 -5.1491 -3.5834 -3.5834 -2.2498 -2.2498 -2.0404 -2.0404 3.5241 3.5241 4.1855 4.1855 5.8926 5.8926 6.3178 6.3178 6.4544 6.4544 7.1501 7.1501 7.6529 7.6529 7.8184 7.8184 9.5897 9.5897 10.7038 10.7038 11.7397 11.7397 12.1877 12.1877 12.9057 12.9057 k = 0.1305-0.2685-0.4994 ( 3966 PWs) bands (ev): -6.0821 -6.0821 -6.0613 -6.0613 -6.0405 -6.0405 -6.0367 -6.0367 -5.2816 -5.2816 -5.2444 -5.2444 -5.2088 -5.2088 -5.2055 -5.2055 -5.1555 -5.1555 -5.1482 -5.1482 -3.5374 -3.5374 -2.2098 -2.2098 -2.0050 -2.0050 3.4902 3.4902 4.1310 4.1310 5.7849 5.7849 6.2690 6.2690 6.3915 6.3915 7.0328 7.0328 7.6008 7.6008 7.7589 7.7589 9.5398 9.5398 10.6928 10.6928 11.6966 11.6966 12.2332 12.2332 12.9607 12.9607 k = 0.1370-0.2819-0.5244 ( 3958 PWs) bands (ev): -6.0846 -6.0846 -6.0628 -6.0628 -6.0407 -6.0407 -6.0367 -6.0367 -5.2843 -5.2843 -5.2468 -5.2468 -5.2092 -5.2092 -5.2061 -5.2061 -5.1546 -5.1546 -5.1473 -5.1473 -3.4892 -3.4892 -2.1690 -2.1690 -1.9687 -1.9687 3.4533 3.4533 4.0702 4.0702 5.6741 5.6741 6.2218 6.2218 6.3446 6.3446 6.9211 6.9211 7.5470 7.5470 7.6979 7.6979 9.4836 9.4836 10.6847 10.6847 11.6325 11.6325 12.2797 12.2797 13.0305 13.0305 k = 0.1436-0.2953-0.5494 ( 3956 PWs) bands (ev): -6.0870 -6.0870 -6.0644 -6.0644 -6.0409 -6.0409 -6.0366 -6.0366 -5.2869 -5.2869 -5.2492 -5.2492 -5.2097 -5.2097 -5.2066 -5.2066 -5.1537 -5.1537 -5.1464 -5.1464 -3.4391 -3.4391 -2.1277 -2.1277 -1.9319 -1.9319 3.4135 3.4135 4.0037 4.0037 5.5612 5.5612 6.1743 6.1743 6.3112 6.3112 6.8188 6.8188 7.4918 7.4918 7.6354 7.6354 9.4211 9.4211 10.6794 10.6794 11.5532 11.5532 12.3270 12.3270 13.1098 13.1098 k = 0.1501-0.3088-0.5743 ( 3968 PWs) bands (ev): -6.0893 -6.0893 -6.0660 -6.0660 -6.0413 -6.0413 -6.0365 -6.0365 -5.2894 -5.2894 -5.2516 -5.2516 -5.2105 -5.2105 -5.2069 -5.2069 -5.1528 -5.1528 -5.1455 -5.1455 -3.3869 -3.3869 -2.0860 -2.0860 -1.8946 -1.8946 3.3716 3.3716 3.9324 3.9324 5.4475 5.4475 6.1227 6.1227 6.2889 6.2889 6.7305 6.7305 7.4357 7.4357 7.5717 7.5717 9.3528 9.3528 10.6769 10.6769 11.4634 11.4634 12.3750 12.3750 13.1937 13.1937 k = 0.1566-0.3222-0.5993 ( 3970 PWs) bands (ev): -6.0916 -6.0916 -6.0676 -6.0676 -6.0417 -6.0417 -6.0364 -6.0364 -5.2917 -5.2917 -5.2540 -5.2540 -5.2114 -5.2114 -5.2069 -5.2069 -5.1519 -5.1519 -5.1446 -5.1446 -3.3329 -3.3329 -2.0442 -2.0442 -1.8572 -1.8572 3.3279 3.3279 3.8570 3.8570 5.3342 5.3342 6.0615 6.0615 6.2762 6.2762 6.6607 6.6607 7.3790 7.3790 7.5074 7.5074 9.2789 9.2789 10.6770 10.6770 11.3666 11.3666 12.4237 12.4237 13.2789 13.2789 k = 0.1631-0.3356-0.6243 ( 3964 PWs) bands (ev): -6.0938 -6.0938 -6.0693 -6.0693 -6.0421 -6.0421 -6.0362 -6.0362 -5.2940 -5.2940 -5.2564 -5.2564 -5.2125 -5.2125 -5.2069 -5.2069 -5.1510 -5.1510 -5.1437 -5.1437 -3.2770 -3.2770 -2.0024 -2.0024 -1.8197 -1.8197 3.2832 3.2832 3.7786 3.7786 5.2224 5.2224 5.9870 5.9870 6.2719 6.2719 6.6117 6.6117 7.3225 7.3225 7.4431 7.4431 9.1999 9.1999 10.6795 10.6795 11.2652 11.2652 12.4731 12.4731 13.3625 13.3625 k = 0.1697-0.3490-0.6492 ( 3966 PWs) bands (ev): -6.0959 -6.0959 -6.0709 -6.0709 -6.0427 -6.0427 -6.0361 -6.0361 -5.2960 -5.2960 -5.2587 -5.2587 -5.2137 -5.2137 -5.2068 -5.2068 -5.1501 -5.1501 -5.1429 -5.1429 -3.2194 -3.2194 -1.9609 -1.9609 -1.7825 -1.7825 3.2380 3.2380 3.6981 3.6981 5.1132 5.1132 5.8990 5.8990 6.2747 6.2747 6.5825 6.5825 7.2667 7.2667 7.3797 7.3797 9.1163 9.1163 10.6841 10.6841 11.1612 11.1612 12.5229 12.5229 13.4429 13.4429 k = 0.1762-0.3625-0.6742 ( 3966 PWs) bands (ev): -6.0979 -6.0979 -6.0725 -6.0725 -6.0433 -6.0433 -6.0359 -6.0359 -5.2979 -5.2979 -5.2610 -5.2610 -5.2151 -5.2151 -5.2067 -5.2067 -5.1492 -5.1492 -5.1421 -5.1421 -3.1601 -3.1601 -1.9200 -1.9200 -1.7458 -1.7458 3.1930 3.1930 3.6162 3.6162 5.0074 5.0074 5.8001 5.8001 6.2824 6.2824 6.5690 6.5690 7.2126 7.2126 7.3187 7.3187 9.0287 9.0287 10.6904 10.6904 11.0560 11.0560 12.5733 12.5733 13.5188 13.5188 k = 0.1827-0.3759-0.6992 ( 3964 PWs) bands (ev): -6.0998 -6.0998 -6.0741 -6.0741 -6.0440 -6.0440 -6.0358 -6.0358 -5.2997 -5.2997 -5.2632 -5.2632 -5.2165 -5.2165 -5.2066 -5.2066 -5.1484 -5.1484 -5.1413 -5.1413 -3.0993 -3.0993 -1.8798 -1.8798 -1.7099 -1.7099 3.1489 3.1489 3.5339 3.5339 4.9056 4.9056 5.6937 5.6937 6.2928 6.2928 6.5661 6.5661 7.1612 7.1612 7.2623 7.2623 8.9378 8.9378 10.6976 10.6976 10.9512 10.9512 12.6240 12.6240 13.5905 13.5905 k = 0.1892-0.3893-0.7242 ( 3970 PWs) bands (ev): -6.1015 -6.1015 -6.0757 -6.0757 -6.0448 -6.0448 -6.0357 -6.0357 -5.3012 -5.3012 -5.2654 -5.2654 -5.2181 -5.2181 -5.2065 -5.2065 -5.1476 -5.1476 -5.1406 -5.1406 -3.0371 -3.0371 -1.8406 -1.8406 -1.6750 -1.6750 3.1064 3.1064 3.4517 3.4517 4.8084 4.8084 5.5830 5.5830 6.3030 6.3030 6.5686 6.5686 7.1136 7.1136 7.2134 7.2134 8.8439 8.8439 10.7034 10.7034 10.8496 10.8496 12.6752 12.6752 13.6587 13.6587 k = 0.1958-0.4027-0.7491 ( 3974 PWs) bands (ev): -6.1031 -6.1031 -6.0772 -6.0772 -6.0456 -6.0456 -6.0356 -6.0356 -5.3026 -5.3026 -5.2674 -5.2674 -5.2197 -5.2197 -5.2064 -5.2064 -5.1468 -5.1468 -5.1399 -5.1399 -2.9736 -2.9736 -1.8026 -1.8026 -1.6414 -1.6414 3.0659 3.0659 3.3703 3.3703 4.7164 4.7164 5.4702 5.4702 6.3102 6.3102 6.5709 6.5709 7.0716 7.0716 7.1757 7.1757 8.7478 8.7478 10.6922 10.6922 10.7674 10.7674 12.7266 12.7266 13.7250 13.7250 k = 0.2023-0.4162-0.7741 ( 3970 PWs) bands (ev): -6.1045 -6.1045 -6.0786 -6.0786 -6.0465 -6.0465 -6.0355 -6.0355 -5.3037 -5.3037 -5.2694 -5.2694 -5.2214 -5.2214 -5.2063 -5.2063 -5.1460 -5.1460 -5.1393 -5.1393 -2.9088 -2.9088 -1.7662 -1.7662 -1.6094 -1.6094 3.0281 3.0281 3.2902 3.2902 4.6300 4.6300 5.3569 5.3569 6.3113 6.3113 6.5675 6.5675 7.0383 7.0383 7.1527 7.1527 8.6501 8.6501 10.6192 10.6192 10.7496 10.7496 12.7782 12.7782 13.7906 13.7906 k = 0.2088-0.4296-0.7991 ( 3966 PWs) bands (ev): -6.1057 -6.1057 -6.0800 -6.0800 -6.0475 -6.0475 -6.0354 -6.0354 -5.3047 -5.3047 -5.2713 -5.2713 -5.2233 -5.2233 -5.2062 -5.2062 -5.1453 -5.1453 -5.1387 -5.1387 -2.8431 -2.8431 -1.7315 -1.7315 -1.5793 -1.5793 2.9936 2.9936 3.2119 3.2119 4.5498 4.5498 5.2442 5.2442 6.3036 6.3036 6.5533 6.5533 7.0175 7.0175 7.1465 7.1465 8.5513 8.5513 10.5237 10.5237 10.7573 10.7573 12.8298 12.8298 13.8567 13.8567 k = 0.2153-0.4430-0.8240 ( 3974 PWs) bands (ev): -6.1067 -6.1067 -6.0813 -6.0813 -6.0486 -6.0486 -6.0353 -6.0353 -5.3055 -5.3055 -5.2730 -5.2730 -5.2252 -5.2252 -5.2062 -5.2062 -5.1446 -5.1446 -5.1381 -5.1381 -2.7765 -2.7765 -1.6989 -1.6989 -1.5513 -1.5513 2.9627 2.9627 3.1359 3.1359 4.4759 4.4759 5.1332 5.1332 6.2856 6.2856 6.5253 6.5253 7.0120 7.0120 7.1572 7.1572 8.4521 8.4521 10.4274 10.4274 10.7691 10.7691 12.8813 12.8813 13.9240 13.9240 k = 0.2219-0.4564-0.8490 ( 3964 PWs) bands (ev): -6.1076 -6.1076 -6.0825 -6.0825 -6.0497 -6.0497 -6.0353 -6.0353 -5.3060 -5.3060 -5.2747 -5.2747 -5.2272 -5.2272 -5.2062 -5.2062 -5.1440 -5.1440 -5.1376 -5.1376 -2.7092 -2.7092 -1.6685 -1.6685 -1.5258 -1.5258 2.9356 2.9356 3.0627 3.0627 4.4089 4.4089 5.0245 5.0245 6.2570 6.2570 6.4835 6.4835 7.0222 7.0222 7.1834 7.1834 8.3532 8.3532 10.3334 10.3334 10.7821 10.7821 12.9324 12.9324 13.9927 13.9927 k = 0.2284-0.4699-0.8740 ( 3968 PWs) bands (ev): -6.1082 -6.1082 -6.0836 -6.0836 -6.0509 -6.0509 -6.0353 -6.0353 -5.3064 -5.3064 -5.2763 -5.2763 -5.2293 -5.2293 -5.2062 -5.2062 -5.1434 -5.1434 -5.1372 -5.1372 -2.6414 -2.6414 -1.6405 -1.6405 -1.5029 -1.5029 2.9124 2.9124 2.9929 2.9929 4.3491 4.3491 4.9188 4.9188 6.2190 6.2190 6.4308 6.4308 7.0457 7.0457 7.2220 7.2220 8.2555 8.2555 10.2428 10.2428 10.7956 10.7956 12.9827 12.9827 14.0630 14.0630 k = 0.2349-0.4833-0.8990 ( 3974 PWs) bands (ev): -6.1086 -6.1086 -6.0846 -6.0846 -6.0523 -6.0523 -6.0353 -6.0353 -5.3066 -5.3066 -5.2777 -5.2777 -5.2315 -5.2315 -5.2062 -5.2062 -5.1428 -5.1428 -5.1368 -5.1368 -2.5732 -2.5732 -1.6153 -1.6153 -1.4829 -1.4829 2.8908 2.8908 2.9292 2.9292 4.2966 4.2966 4.8167 4.8167 6.1733 6.1733 6.3701 6.3701 7.0794 7.0794 7.2696 7.2696 8.1604 8.1604 10.1563 10.1563 10.8092 10.8092 13.0319 13.0319 14.1346 14.1346 k = 0.2414-0.4967-0.9239 ( 3972 PWs) bands (ev): -6.1088 -6.1088 -6.0855 -6.0855 -6.0536 -6.0536 -6.0353 -6.0353 -5.3065 -5.3065 -5.2791 -5.2791 -5.2337 -5.2337 -5.2063 -5.2063 -5.1423 -5.1423 -5.1365 -5.1365 -2.5051 -2.5051 -1.5929 -1.5929 -1.4659 -1.4659 2.8520 2.8520 2.8909 2.8909 4.2517 4.2517 4.7190 4.7190 6.1218 6.1218 6.3042 6.3042 7.1201 7.1201 7.3224 7.3224 8.0698 8.0698 10.0746 10.0746 10.8229 10.8229 13.0795 13.0795 14.2077 14.2077 k = 0.2480-0.5101-0.9489 ( 3968 PWs) bands (ev): -6.1088 -6.1088 -6.0863 -6.0863 -6.0551 -6.0551 -6.0353 -6.0353 -5.3063 -5.3063 -5.2803 -5.2803 -5.2360 -5.2360 -5.2064 -5.2064 -5.1419 -5.1419 -5.1362 -5.1362 -2.4370 -2.4370 -1.5736 -1.5736 -1.4522 -1.4522 2.7954 2.7954 2.8786 2.8786 4.2145 4.2145 4.6263 4.6263 6.0659 6.0659 6.2351 6.2351 7.1649 7.1649 7.3753 7.3753 7.9874 7.9874 9.9983 9.9983 10.8364 10.8364 13.1248 13.1248 14.2819 14.2819 k = 0.2545-0.5235-0.9739 ( 3972 PWs) bands (ev): -6.1086 -6.1086 -6.0870 -6.0870 -6.0566 -6.0566 -6.0353 -6.0353 -5.3058 -5.3058 -5.2815 -5.2815 -5.2384 -5.2384 -5.2065 -5.2065 -5.1414 -5.1414 -5.1360 -5.1360 -2.3694 -2.3694 -1.5573 -1.5573 -1.4418 -1.4418 2.7400 2.7400 2.8733 2.8733 4.1847 4.1847 4.5398 4.5398 6.0072 6.0072 6.1640 6.1640 7.2112 7.2112 7.4208 7.4208 7.9201 7.9201 9.9283 9.9283 10.8498 10.8498 13.1673 13.1673 14.3568 14.3568 k = 0.2610-0.5370-0.9988 ( 3978 PWs) bands (ev): -6.1082 -6.1082 -6.0876 -6.0876 -6.0583 -6.0583 -6.0354 -6.0354 -5.3052 -5.3052 -5.2826 -5.2826 -5.2408 -5.2408 -5.2066 -5.2066 -5.1410 -5.1410 -5.1358 -5.1358 -2.3024 -2.3024 -1.5443 -1.5443 -1.4348 -1.4348 2.6882 2.6882 2.8725 2.8725 4.1621 4.1621 4.4607 4.4607 5.9465 5.9465 6.0919 6.0919 7.2560 7.2560 7.4471 7.4471 7.8798 7.8798 9.8651 9.8651 10.8630 10.8630 13.2062 13.2062 14.4312 14.4312 k = 0.2675-0.5504-1.0238 ( 3980 PWs) bands (ev): -6.1076 -6.1076 -6.0881 -6.0881 -6.0599 -6.0599 -6.0355 -6.0355 -5.3044 -5.3044 -5.2836 -5.2836 -5.2432 -5.2432 -5.2067 -5.2067 -5.1407 -5.1407 -5.1357 -5.1357 -2.2365 -2.2365 -1.5344 -1.5344 -1.4312 -1.4312 2.6408 2.6408 2.8748 2.8748 4.1456 4.1456 4.3911 4.3911 5.8848 5.8848 6.0196 6.0196 7.2935 7.2935 7.4455 7.4455 7.8788 7.8788 9.8097 9.8097 10.8762 10.8762 13.2407 13.2407 14.5030 14.5030 k = 0.2741-0.5638-1.0488 ( 3976 PWs) bands (ev): -6.1069 -6.1069 -6.0885 -6.0885 -6.0617 -6.0617 -6.0355 -6.0355 -5.3034 -5.3034 -5.2845 -5.2845 -5.2457 -5.2457 -5.2069 -5.2069 -5.1404 -5.1404 -5.1356 -5.1356 -2.1718 -2.1718 -1.5278 -1.5278 -1.4309 -1.4309 2.5979 2.5979 2.8794 2.8794 4.1333 4.1333 4.3340 4.3340 5.8226 5.8226 5.9475 5.9475 7.3074 7.3074 7.4315 7.4315 7.9159 7.9159 9.7628 9.7628 10.8896 10.8896 13.2703 13.2703 14.5682 14.5682 k = 0.2806-0.5772-1.0737 ( 3982 PWs) bands (ev): -6.1059 -6.1059 -6.0888 -6.0888 -6.0635 -6.0635 -6.0356 -6.0356 -5.3022 -5.3022 -5.2853 -5.2853 -5.2482 -5.2482 -5.2070 -5.2070 -5.1401 -5.1401 -5.1356 -5.1356 -2.1088 -2.1088 -1.5243 -1.5243 -1.4339 -1.4339 2.5599 2.5599 2.8848 2.8848 4.1219 4.1219 4.2940 4.2940 5.7605 5.7605 5.8763 5.8763 7.2737 7.2737 7.4397 7.4397 7.9780 7.9780 9.7254 9.7254 10.9034 10.9034 13.2940 13.2940 14.6212 14.6212 k = 0.2871-0.5907-1.0987 ( 3978 PWs) bands (ev): -6.1049 -6.1049 -6.0889 -6.0889 -6.0654 -6.0654 -6.0357 -6.0357 -5.3009 -5.3009 -5.2861 -5.2861 -5.2506 -5.2506 -5.2072 -5.2072 -5.1398 -5.1398 -5.1356 -5.1356 -2.0478 -2.0478 -1.5236 -1.5236 -1.4400 -1.4400 2.5271 2.5271 2.8896 2.8896 4.1084 4.1084 4.2755 4.2755 5.6989 5.6989 5.8062 5.8062 7.2077 7.2077 7.4644 7.4644 8.0542 8.0542 9.6983 9.6983 10.9178 10.9178 13.3115 13.3115 14.6543 14.6543 k = 0.2936-0.6041-1.1237 ( 3978 PWs) bands (ev): -6.1038 -6.1038 -6.0889 -6.0889 -6.0673 -6.0673 -6.0358 -6.0358 -5.2995 -5.2995 -5.2868 -5.2868 -5.2530 -5.2530 -5.2073 -5.2073 -5.1395 -5.1395 -5.1357 -5.1357 -1.9893 -1.9893 -1.5256 -1.5256 -1.4492 -1.4492 2.4996 2.4996 2.8920 2.8920 4.0941 4.0941 4.2786 4.2786 5.6381 5.6381 5.7377 5.7377 7.1299 7.1299 7.4898 7.4898 8.1381 8.1381 9.6821 9.6821 10.9332 10.9332 13.3223 13.3223 14.6613 14.6613 k = 0.3002-0.6175-1.1487 ( 3978 PWs) bands (ev): -6.1027 -6.1027 -6.0887 -6.0887 -6.0692 -6.0692 -6.0358 -6.0358 -5.2979 -5.2979 -5.2874 -5.2874 -5.2553 -5.2553 -5.2074 -5.2074 -5.1393 -5.1393 -5.1358 -5.1358 -1.9338 -1.9338 -1.5299 -1.5299 -1.4610 -1.4610 2.4777 2.4777 2.8906 2.8906 4.0844 4.0844 4.2991 4.2991 5.5783 5.5783 5.6712 5.6712 7.0476 7.0476 7.5105 7.5105 8.2261 8.2261 9.6773 9.6773 10.9502 10.9502 13.3260 13.3260 14.6422 14.6422 k = 0.3067-0.6309-1.1736 ( 3984 PWs) bands (ev): -6.1016 -6.1016 -6.0883 -6.0883 -6.0712 -6.0712 -6.0359 -6.0359 -5.2963 -5.2963 -5.2881 -5.2881 -5.2575 -5.2575 -5.2075 -5.2075 -5.1391 -5.1391 -5.1359 -5.1359 -1.8821 -1.8821 -1.5357 -1.5357 -1.4755 -1.4755 2.4615 2.4615 2.8838 2.8838 4.0843 4.0843 4.3329 4.3329 5.5198 5.5198 5.6071 5.6071 6.9640 6.9640 7.5243 7.5243 8.3160 8.3160 9.6841 9.6841 10.9691 10.9691 13.3228 13.3228 14.6016 14.6016 k = 0.3132-0.6444-1.1986 ( 3982 PWs) bands (ev): -6.1006 -6.1006 -6.0877 -6.0877 -6.0731 -6.0731 -6.0359 -6.0359 -5.2947 -5.2947 -5.2887 -5.2887 -5.2594 -5.2594 -5.2076 -5.2076 -5.1389 -5.1389 -5.1361 -5.1361 -1.8351 -1.8351 -1.5422 -1.5422 -1.4922 -1.4922 2.4512 2.4512 2.8707 2.8707 4.0968 4.0968 4.3771 4.3771 5.4627 5.4627 5.5459 5.5459 6.8805 6.8805 7.5304 7.5304 8.4063 8.4063 9.7025 9.7025 10.9907 10.9907 13.3126 13.3126 14.5442 14.5442 k = 0.3197-0.6578-1.2236 ( 3994 PWs) bands (ev): -6.0998 -6.0998 -6.0869 -6.0869 -6.0749 -6.0749 -6.0360 -6.0360 -5.2931 -5.2931 -5.2892 -5.2892 -5.2611 -5.2611 -5.2077 -5.2077 -5.1387 -5.1387 -5.1362 -5.1362 -1.7944 -1.7944 -1.5478 -1.5478 -1.5110 -1.5110 2.4468 2.4468 2.8512 2.8512 4.1230 4.1230 4.4302 4.4302 5.4073 5.4073 5.4881 5.4881 6.7979 6.7979 7.5286 7.5286 8.4958 8.4958 9.7318 9.7318 11.0154 11.0154 13.2958 13.2958 14.4737 14.4737 k = 0.3263-0.6712-1.2485 ( 4000 PWs) bands (ev): -6.0992 -6.0992 -6.0859 -6.0859 -6.0766 -6.0766 -6.0360 -6.0360 -5.2918 -5.2918 -5.2898 -5.2898 -5.2624 -5.2624 -5.2077 -5.2077 -5.1386 -5.1386 -5.1363 -5.1363 -1.7622 -1.7622 -1.5501 -1.5501 -1.5316 -1.5316 2.4484 2.4484 2.8255 2.8255 4.1625 4.1625 4.4910 4.4910 5.3538 5.3538 5.4343 5.4343 6.7167 6.7167 7.5191 7.5191 8.5832 8.5832 9.7713 9.7713 11.0441 11.0441 13.2725 13.2725 14.3925 14.3925 k = 0.3328-0.6846-1.2735 ( 3994 PWs) bands (ev): -6.0990 -6.0990 -6.0850 -6.0850 -6.0778 -6.0778 -6.0360 -6.0360 -5.2908 -5.2908 -5.2903 -5.2903 -5.2631 -5.2631 -5.2077 -5.2077 -5.1385 -5.1385 -5.1364 -5.1364 -1.7414 -1.7414 -1.5538 -1.5538 -1.5462 -1.5462 2.4559 2.4559 2.7945 2.7945 4.2142 4.2142 4.5584 4.5584 5.3028 5.3028 5.3853 5.3853 6.6374 6.6374 7.5024 7.5024 8.6676 8.6676 9.8196 9.8196 11.0775 11.0775 13.2431 13.2431 14.3027 14.3027 k = 0.3393-0.6981-1.2985 ( 4002 PWs) bands (ev): -6.0990 -6.0990 -6.0847 -6.0847 -6.0782 -6.0782 -6.0359 -6.0359 -5.2912 -5.2912 -5.2899 -5.2899 -5.2631 -5.2631 -5.2076 -5.2076 -5.1385 -5.1385 -5.1364 -5.1364 -1.7334 -1.7334 -1.5771 -1.5771 -1.5347 -1.5347 2.4692 2.4692 2.7592 2.7592 4.2763 4.2763 4.6311 4.6311 5.2551 5.2551 5.3420 5.3420 6.5602 6.5602 7.4790 7.4790 8.7477 8.7477 9.8755 9.8755 11.1163 11.1163 13.2079 13.2079 14.2061 14.2061 k = 0.6607-0.5830-1.2297 ( 4002 PWs) bands (ev): -6.0990 -6.0990 -6.0847 -6.0847 -6.0782 -6.0782 -6.0359 -6.0359 -5.2912 -5.2912 -5.2899 -5.2899 -5.2631 -5.2631 -5.2076 -5.2076 -5.1385 -5.1385 -5.1364 -5.1364 -1.7334 -1.7334 -1.5771 -1.5771 -1.5347 -1.5347 2.4692 2.4692 2.7592 2.7592 4.2763 4.2763 4.6311 4.6311 5.2551 5.2551 5.3420 5.3420 6.5602 6.5602 7.4790 7.4790 8.7477 8.7477 9.8755 9.8755 11.1163 11.1163 13.2079 13.2079 14.2061 14.2061 k = 0.6542-0.5551-1.2297 ( 4000 PWs) bands (ev): -6.0993 -6.0993 -6.0852 -6.0852 -6.0773 -6.0773 -6.0359 -6.0359 -5.2919 -5.2919 -5.2895 -5.2895 -5.2625 -5.2625 -5.2075 -5.2075 -5.1385 -5.1385 -5.1364 -5.1364 -1.7370 -1.7370 -1.6010 -1.6010 -1.5167 -1.5167 2.4878 2.4878 2.7213 2.7213 4.3452 4.3452 4.7063 4.7063 5.2125 5.2125 5.3062 5.3062 6.4863 6.4863 7.4503 7.4503 8.8217 8.8217 9.9362 9.9362 11.1605 11.1605 13.1675 13.1675 14.1062 14.1062 k = 0.6478-0.5271-1.2297 ( 3994 PWs) bands (ev): -6.0999 -6.0999 -6.0862 -6.0862 -6.0756 -6.0756 -6.0358 -6.0358 -5.2929 -5.2929 -5.2896 -5.2896 -5.2612 -5.2612 -5.2074 -5.2074 -5.1386 -5.1386 -5.1362 -5.1362 -1.7487 -1.7487 -1.6257 -1.6257 -1.4950 -1.4950 2.5115 2.5115 2.6814 2.6814 4.4188 4.4188 4.7826 4.7826 5.1763 5.1763 5.2797 5.2797 6.4149 6.4149 7.4166 7.4166 8.8897 8.8897 10.0008 10.0008 11.2112 11.2112 13.1216 13.1216 14.0031 14.0031 k = 0.6414-0.4992-1.2297 ( 3998 PWs) bands (ev): -6.1008 -6.1008 -6.0873 -6.0873 -6.0736 -6.0736 -6.0357 -6.0357 -5.2939 -5.2939 -5.2898 -5.2898 -5.2592 -5.2592 -5.2072 -5.2072 -5.1388 -5.1388 -5.1360 -5.1360 -1.7658 -1.7658 -1.6509 -1.6509 -1.4721 -1.4721 2.5394 2.5394 2.6410 2.6410 4.4927 4.4927 4.8555 4.8555 5.1497 5.1497 5.2666 5.2666 6.3461 6.3461 7.3787 7.3787 8.9511 8.9511 10.0675 10.0675 11.2687 11.2687 13.0701 13.0701 13.8983 13.8983 k = 0.6350-0.4713-1.2297 ( 3998 PWs) bands (ev): -6.1020 -6.1020 -6.0883 -6.0883 -6.0713 -6.0713 -6.0355 -6.0355 -5.2952 -5.2952 -5.2901 -5.2901 -5.2568 -5.2568 -5.2070 -5.2070 -5.1389 -5.1389 -5.1358 -5.1358 -1.7863 -1.7863 -1.6763 -1.6763 -1.4498 -1.4498 2.5669 2.5669 2.6051 2.6051 4.5606 4.5606 4.9182 4.9182 5.1374 5.1374 5.2743 5.2743 6.2800 6.2800 7.3373 7.3373 9.0051 9.0051 10.1340 10.1340 11.3332 11.3332 13.0131 13.0131 13.7927 13.7927 k = 0.6285-0.4434-1.2297 ( 3996 PWs) bands (ev): -6.1034 -6.1034 -6.0892 -6.0892 -6.0689 -6.0689 -6.0353 -6.0353 -5.2967 -5.2967 -5.2905 -5.2905 -5.2541 -5.2541 -5.2067 -5.2067 -5.1391 -5.1391 -5.1354 -5.1354 -1.8089 -1.8089 -1.7018 -1.7018 -1.4288 -1.4288 2.5500 2.5500 2.6175 2.6175 4.6144 4.6144 4.9627 4.9627 5.1469 5.1469 5.3104 5.3104 6.2168 6.2168 7.2930 7.2930 9.0511 9.0511 10.1983 10.1983 11.4046 11.4046 12.9507 12.9507 13.6857 13.6857 k = 0.6221-0.4154-1.2297 ( 4002 PWs) bands (ev): -6.1051 -6.1051 -6.0900 -6.0900 -6.0665 -6.0665 -6.0351 -6.0351 -5.2982 -5.2982 -5.2909 -5.2909 -5.2510 -5.2510 -5.2064 -5.2064 -5.1393 -5.1393 -5.1351 -5.1351 -1.8329 -1.8329 -1.7271 -1.7271 -1.4097 -1.4097 2.5108 2.5108 2.6565 2.6565 4.6472 4.6472 4.9862 4.9862 5.1861 5.1861 5.3755 5.3755 6.1567 6.1567 7.2463 7.2463 9.0889 9.0889 10.2576 10.2576 11.4823 11.4823 12.8838 12.8838 13.5744 13.5744 k = 0.6157-0.3875-1.2297 ( 3998 PWs) bands (ev): -6.1069 -6.1069 -6.0907 -6.0907 -6.0641 -6.0641 -6.0348 -6.0348 -5.2998 -5.2998 -5.2913 -5.2913 -5.2478 -5.2478 -5.2061 -5.2061 -5.1395 -5.1395 -5.1347 -5.1347 -1.8576 -1.8576 -1.7522 -1.7522 -1.3925 -1.3925 2.4708 2.4708 2.6999 2.6999 4.6581 4.6581 4.9948 4.9948 5.2562 5.2562 5.4622 5.4622 6.1002 6.1002 7.1979 7.1979 9.1181 9.1181 10.3094 10.3094 11.5651 11.5651 12.8135 12.8135 13.4536 13.4536 k = 0.6093-0.3596-1.2297 ( 3998 PWs) bands (ev): -6.1088 -6.1088 -6.0913 -6.0913 -6.0616 -6.0616 -6.0346 -6.0346 -5.3014 -5.3014 -5.2917 -5.2917 -5.2444 -5.2444 -5.2058 -5.2058 -5.1397 -5.1397 -5.1342 -5.1342 -1.8827 -1.8827 -1.7767 -1.7767 -1.3775 -1.3775 2.4317 2.4317 2.7460 2.7460 4.6522 4.6522 4.9970 4.9970 5.3506 5.3506 5.5620 5.5620 6.0478 6.0478 7.1484 7.1484 9.1386 9.1386 10.3504 10.3504 11.6510 11.6510 12.7417 12.7417 13.3221 13.3221 k = 0.6028-0.3317-1.2297 ( 3996 PWs) bands (ev): -6.1107 -6.1107 -6.0919 -6.0919 -6.0593 -6.0593 -6.0343 -6.0343 -5.3031 -5.3031 -5.2920 -5.2920 -5.2410 -5.2410 -5.2055 -5.2055 -5.1398 -5.1398 -5.1338 -5.1338 -1.9078 -1.9078 -1.8007 -1.8007 -1.3644 -1.3644 2.3939 2.3939 2.7938 2.7938 4.6360 4.6360 4.9985 4.9985 5.4612 5.4612 5.6681 5.6681 6.0012 6.0012 7.0985 7.0985 9.1504 9.1504 10.3777 10.3777 11.7369 11.7369 12.6706 12.6706 13.1870 13.1870 k = 0.5964-0.3038-1.2297 ( 3992 PWs) bands (ev): -6.1127 -6.1127 -6.0924 -6.0924 -6.0569 -6.0569 -6.0340 -6.0340 -5.3046 -5.3046 -5.2923 -5.2923 -5.2375 -5.2375 -5.2051 -5.2051 -5.1399 -5.1399 -5.1333 -5.1333 -1.9326 -1.9326 -1.8238 -1.8238 -1.3532 -1.3532 2.3578 2.3578 2.8423 2.8423 4.6141 4.6141 5.0022 5.0022 5.5812 5.5812 5.7727 5.7727 5.9661 5.9661 7.0492 7.0492 9.1535 9.1535 10.3883 10.3883 11.8173 11.8173 12.6016 12.6016 13.0589 13.0589 k = 0.5900-0.2758-1.2297 ( 3988 PWs) bands (ev): -6.1146 -6.1146 -6.0929 -6.0929 -6.0547 -6.0547 -6.0337 -6.0337 -5.3062 -5.3062 -5.2926 -5.2926 -5.2341 -5.2341 -5.2047 -5.2047 -5.1400 -5.1400 -5.1328 -5.1328 -1.9568 -1.9568 -1.8460 -1.8460 -1.3437 -1.3437 2.3235 2.3235 2.8908 2.8908 4.5896 4.5896 5.0098 5.0098 5.7003 5.7003 5.8526 5.8526 5.9696 5.9696 7.0020 7.0020 9.1477 9.1477 10.3799 10.3799 11.8837 11.8837 12.5349 12.5349 12.9502 12.9502 k = 0.5836-0.2479-1.2297 ( 3990 PWs) bands (ev): -6.1165 -6.1165 -6.0934 -6.0934 -6.0525 -6.0525 -6.0335 -6.0335 -5.3076 -5.3076 -5.2930 -5.2930 -5.2307 -5.2307 -5.2044 -5.2044 -5.1401 -5.1401 -5.1323 -5.1323 -1.9802 -1.9802 -1.8672 -1.8672 -1.3358 -1.3358 2.2912 2.2912 2.9386 2.9386 4.5641 4.5641 5.0222 5.0222 5.7749 5.7749 5.9115 5.9115 6.0458 6.0458 6.9595 6.9595 9.1332 9.1332 10.3510 10.3510 11.9238 11.9238 12.4686 12.4686 12.8746 12.8746 k = 0.5771-0.2200-1.2297 ( 3984 PWs) bands (ev): -6.1183 -6.1183 -6.0939 -6.0939 -6.0504 -6.0504 -6.0332 -6.0332 -5.3090 -5.3090 -5.2932 -5.2932 -5.2274 -5.2274 -5.2040 -5.2040 -5.1401 -5.1401 -5.1317 -5.1317 -2.0026 -2.0026 -1.8873 -1.8873 -1.3294 -1.3294 2.2609 2.2609 2.9849 2.9849 4.5388 4.5388 5.0399 5.0399 5.7705 5.7705 6.0288 6.0288 6.1431 6.1431 6.9259 6.9259 9.1098 9.1098 10.3015 10.3015 11.9256 11.9256 12.3988 12.3988 12.8416 12.8416 k = 0.5707-0.1921-1.2297 ( 3990 PWs) bands (ev): -6.1201 -6.1201 -6.0943 -6.0943 -6.0485 -6.0485 -6.0329 -6.0329 -5.3103 -5.3103 -5.2935 -5.2935 -5.2242 -5.2242 -5.2037 -5.2037 -5.1401 -5.1401 -5.1312 -5.1312 -2.0239 -2.0239 -1.9060 -1.9060 -1.3241 -1.3241 2.2329 2.2329 3.0289 3.0289 4.5143 4.5143 5.0634 5.0634 5.7447 5.7447 6.1669 6.1669 6.2329 6.2329 6.9083 6.9083 9.0774 9.0774 10.2328 10.2328 11.8865 11.8865 12.3222 12.3222 12.8282 12.8282 k = 0.5643-0.1641-1.2297 ( 3988 PWs) bands (ev): -6.1217 -6.1217 -6.0947 -6.0947 -6.0466 -6.0466 -6.0327 -6.0327 -5.3115 -5.3115 -5.2937 -5.2937 -5.2211 -5.2211 -5.2034 -5.2034 -5.1401 -5.1401 -5.1307 -5.1307 -2.0439 -2.0439 -1.9235 -1.9235 -1.3199 -1.3199 2.2070 2.2070 3.0701 3.0701 4.4913 4.4913 5.0925 5.0925 5.7165 5.7165 6.2818 6.2818 6.3284 6.3284 6.9167 6.9167 9.0359 9.0359 10.1470 10.1470 11.8168 11.8168 12.2391 12.2391 12.7990 12.7990 k = 0.5578-0.1362-1.2297 ( 3982 PWs) bands (ev): -6.1233 -6.1233 -6.0951 -6.0951 -6.0449 -6.0449 -6.0325 -6.0325 -5.3125 -5.3125 -5.2940 -5.2940 -5.2183 -5.2183 -5.2031 -5.2031 -5.1400 -5.1400 -5.1302 -5.1302 -2.0624 -2.0624 -1.9395 -1.9395 -1.3166 -1.3166 2.1835 2.1835 3.1081 3.1081 4.4698 4.4698 5.1271 5.1271 5.6898 5.6898 6.3175 6.3175 6.4722 6.4722 6.9590 6.9590 8.9853 8.9853 10.0472 10.0472 11.7306 11.7306 12.1526 12.1526 12.7752 12.7752 k = 0.5514-0.1083-1.2297 ( 3980 PWs) bands (ev): -6.1247 -6.1247 -6.0955 -6.0955 -6.0433 -6.0433 -6.0323 -6.0323 -5.3135 -5.3135 -5.2942 -5.2942 -5.2156 -5.2156 -5.2029 -5.2029 -5.1399 -5.1399 -5.1298 -5.1298 -2.0793 -2.0793 -1.9541 -1.9541 -1.3140 -1.3140 2.1624 2.1624 3.1423 3.1423 4.4503 4.4503 5.1666 5.1666 5.6659 5.6659 6.3142 6.3142 6.6226 6.6226 7.0336 7.0336 8.9257 8.9257 9.9368 9.9368 11.6392 11.6392 12.0669 12.0669 12.7604 12.7604 k = 0.5450-0.0804-1.2297 ( 3978 PWs) bands (ev): -6.1259 -6.1259 -6.0959 -6.0959 -6.0419 -6.0419 -6.0322 -6.0322 -5.3144 -5.3144 -5.2943 -5.2943 -5.2132 -5.2132 -5.2027 -5.2027 -5.1398 -5.1398 -5.1294 -5.1294 -2.0945 -2.0945 -1.9670 -1.9670 -1.3121 -1.3121 2.1437 2.1437 3.1727 3.1727 4.4327 4.4327 5.2102 5.2102 5.6458 5.6458 6.2855 6.2855 6.7737 6.7737 7.1303 7.1303 8.8574 8.8574 9.8194 9.8194 11.5501 11.5501 11.9856 11.9856 12.7517 12.7517 k = 0.5386-0.0524-1.2297 ( 3976 PWs) bands (ev): -6.1271 -6.1271 -6.0962 -6.0962 -6.0406 -6.0406 -6.0321 -6.0321 -5.3151 -5.3151 -5.2945 -5.2945 -5.2111 -5.2111 -5.2025 -5.2025 -5.1397 -5.1397 -5.1290 -5.1290 -2.1078 -2.1078 -1.9784 -1.9784 -1.3106 -1.3106 2.1274 2.1274 3.1989 3.1989 4.4174 4.4174 5.2564 5.2564 5.6302 5.6302 6.2413 6.2413 6.9235 6.9235 7.2380 7.2380 8.7816 8.7816 9.6988 9.6988 11.4678 11.4678 11.9113 11.9113 12.7465 12.7465 k = 0.5321-0.0245-1.2297 ( 3972 PWs) bands (ev): -6.1280 -6.1280 -6.0965 -6.0965 -6.0395 -6.0395 -6.0320 -6.0320 -5.3158 -5.3158 -5.2946 -5.2946 -5.2092 -5.2092 -5.2024 -5.2024 -5.1396 -5.1396 -5.1286 -5.1286 -2.1193 -2.1193 -1.9881 -1.9881 -1.3096 -1.3096 2.1136 2.1136 3.2210 3.2210 4.4042 4.4042 5.3031 5.3031 5.6203 5.6203 6.1885 6.1885 7.0701 7.0701 7.3477 7.3477 8.6997 8.6997 9.5792 9.5792 11.3954 11.3954 11.8461 11.8461 12.7430 12.7430 k = 0.5257 0.0034-1.2297 ( 3984 PWs) bands (ev): -6.1288 -6.1288 -6.0967 -6.0967 -6.0386 -6.0386 -6.0320 -6.0320 -5.3163 -5.3163 -5.2948 -5.2948 -5.2075 -5.2075 -5.2024 -5.2024 -5.1395 -5.1395 -5.1284 -5.1284 -2.1288 -2.1288 -1.9960 -1.9960 -1.3088 -1.3088 2.1022 2.1022 3.2389 3.2389 4.3934 4.3934 5.3472 5.3472 5.6175 5.6175 6.1320 6.1320 7.2110 7.2110 7.4515 7.4515 8.6149 8.6149 9.4654 9.4654 11.3346 11.3346 11.7912 11.7912 12.7406 12.7406 k = 0.5193 0.0313-1.2297 ( 3994 PWs) bands (ev): -6.1294 -6.1294 -6.0969 -6.0969 -6.0378 -6.0378 -6.0320 -6.0320 -5.3167 -5.3167 -5.2948 -5.2948 -5.2061 -5.2061 -5.2025 -5.2025 -5.1395 -5.1395 -5.1281 -5.1281 -2.1362 -2.1362 -2.0023 -2.0023 -1.3084 -1.3084 2.0934 2.0934 3.2527 3.2527 4.3850 4.3850 5.3845 5.3845 5.6234 5.6234 6.0760 6.0760 7.3427 7.3427 7.5408 7.5408 8.5319 8.5319 9.3636 9.3636 11.2866 11.2866 11.7477 11.7477 12.7387 12.7387 k = 0.5129 0.0592-1.2297 ( 3996 PWs) bands (ev): -6.1299 -6.1299 -6.0970 -6.0970 -6.0372 -6.0372 -6.0320 -6.0320 -5.3170 -5.3170 -5.2949 -5.2949 -5.2050 -5.2050 -5.2027 -5.2027 -5.1394 -5.1394 -5.1280 -5.1280 -2.1416 -2.1416 -2.0068 -2.0068 -1.3080 -1.3080 2.0871 2.0871 3.2626 3.2626 4.3789 4.3789 5.4113 5.4113 5.6373 5.6373 6.0256 6.0256 7.4597 7.4597 7.6055 7.6055 8.4586 8.4586 9.2811 9.2811 11.2520 11.2520 11.7162 11.7162 12.7374 12.7374 k = 0.5064 0.0872-1.2297 ( 3986 PWs) bands (ev): -6.1302 -6.1302 -6.0971 -6.0971 -6.0369 -6.0369 -6.0320 -6.0320 -5.3172 -5.3172 -5.2950 -5.2950 -5.2041 -5.2041 -5.2030 -5.2030 -5.1393 -5.1393 -5.1279 -5.1279 -2.1448 -2.1448 -2.0095 -2.0095 -1.3079 -1.3079 2.0833 2.0833 3.2684 3.2684 4.3753 4.3753 5.4266 5.4266 5.6534 5.6534 5.9884 5.9884 7.5532 7.5532 7.6343 7.6343 8.4065 8.4065 9.2265 9.2265 11.2311 11.2311 11.6971 11.6971 12.7366 12.7366 k = 0.5000 0.1151-1.2297 ( 3986 PWs) bands (ev): -6.1303 -6.1303 -6.0971 -6.0971 -6.0367 -6.0367 -6.0321 -6.0321 -5.3172 -5.3172 -5.2950 -5.2950 -5.2035 -5.2035 -5.2034 -5.2034 -5.1393 -5.1393 -5.1278 -5.1278 -2.1459 -2.1459 -2.0104 -2.0104 -1.3078 -1.3078 2.0820 2.0820 3.2704 3.2704 4.3740 4.3740 5.4313 5.4313 5.6609 5.6609 5.9742 5.9742 7.6031 7.6031 7.6279 7.6279 8.3872 8.3872 9.2073 9.2073 11.2241 11.2241 11.6907 11.6907 12.7363 12.7363 k = 0.5000 0.1151-1.2297 ( 3986 PWs) bands (ev): -6.1303 -6.1303 -6.0971 -6.0971 -6.0367 -6.0367 -6.0321 -6.0321 -5.3172 -5.3172 -5.2950 -5.2950 -5.2035 -5.2035 -5.2034 -5.2034 -5.1393 -5.1393 -5.1278 -5.1278 -2.1459 -2.1459 -2.0104 -2.0104 -1.3078 -1.3078 2.0820 2.0820 3.2704 3.2704 4.3740 4.3740 5.4313 5.4313 5.6609 5.6609 5.9742 5.9742 7.6031 7.6031 7.6279 7.6279 8.3872 8.3872 9.2073 9.2073 11.2241 11.2241 11.6907 11.6907 12.7363 12.7363 k = 0.5230 0.1204-1.2199 ( 3988 PWs) bands (ev): -6.1303 -6.1303 -6.0971 -6.0971 -6.0367 -6.0367 -6.0321 -6.0321 -5.3173 -5.3173 -5.2949 -5.2949 -5.2036 -5.2036 -5.2034 -5.2034 -5.1393 -5.1393 -5.1278 -5.1278 -2.1492 -2.1492 -2.0070 -2.0070 -1.3082 -1.3082 2.0840 2.0840 3.2678 3.2678 4.3720 4.3720 5.4177 5.4177 5.6773 5.6773 5.9810 5.9810 7.5399 7.5399 7.6901 7.6901 8.3796 8.3796 9.2126 9.2126 11.2158 11.2158 11.6939 11.6939 12.7495 12.7495 k = 0.5459 0.1257-1.2100 ( 3986 PWs) bands (ev): -6.1304 -6.1304 -6.0969 -6.0969 -6.0367 -6.0367 -6.0321 -6.0321 -5.3174 -5.3174 -5.2947 -5.2947 -5.2036 -5.2036 -5.2033 -5.2033 -5.1394 -5.1394 -5.1278 -5.1278 -2.1581 -2.1581 -1.9977 -1.9977 -1.3095 -1.3095 2.0899 2.0899 3.2601 3.2601 4.3656 4.3656 5.3873 5.3873 5.7152 5.7152 6.0022 6.0022 7.4656 7.4656 7.7610 7.7610 8.3580 8.3580 9.2275 9.2275 11.1920 11.1920 11.7034 11.7034 12.7879 12.7879 k = 0.5689 0.1309-1.2002 ( 3981 PWs) bands (ev): -6.1306 -6.1306 -6.0967 -6.0967 -6.0367 -6.0367 -6.0321 -6.0321 -5.3177 -5.3177 -5.2944 -5.2944 -5.2037 -5.2037 -5.2032 -5.2032 -5.1394 -5.1394 -5.1278 -5.1278 -2.1711 -2.1711 -1.9841 -1.9841 -1.3117 -1.3117 2.0997 2.0997 3.2478 3.2478 4.3541 4.3541 5.3551 5.3551 5.7582 5.7582 6.0398 6.0398 7.3911 7.3911 7.8279 7.8279 8.3262 8.3262 9.2490 9.2490 11.1564 11.1564 11.7191 11.7191 12.8484 12.8484 k = 0.5918 0.1362-1.1904 ( 3980 PWs) bands (ev): -6.1309 -6.1309 -6.0964 -6.0964 -6.0367 -6.0367 -6.0321 -6.0321 -5.3180 -5.3180 -5.2940 -5.2940 -5.2038 -5.2038 -5.2031 -5.2031 -5.1394 -5.1394 -5.1278 -5.1278 -2.1866 -2.1866 -1.9678 -1.9678 -1.3147 -1.3147 2.1131 2.1131 3.2313 3.2313 4.3365 4.3365 5.3295 5.3295 5.7972 5.7972 6.0948 6.0948 7.3171 7.3171 7.8867 7.8867 8.2907 8.2907 9.2734 9.2734 11.1138 11.1138 11.7409 11.7409 12.9267 12.9267 k = 0.6148 0.1415-1.1806 ( 3976 PWs) bands (ev): -6.1312 -6.1312 -6.0960 -6.0960 -6.0366 -6.0366 -6.0321 -6.0321 -5.3183 -5.3183 -5.2934 -5.2934 -5.2038 -5.2038 -5.2029 -5.2029 -5.1395 -5.1395 -5.1278 -5.1278 -2.2036 -2.2036 -1.9497 -1.9497 -1.3186 -1.3186 2.1300 2.1300 3.2113 3.2113 4.3120 4.3120 5.3146 5.3146 5.8305 5.8305 6.1651 6.1651 7.2441 7.2441 7.9290 7.9290 8.2622 8.2622 9.2964 9.2964 11.0692 11.0692 11.7684 11.7684 13.0178 13.0178 k = 0.6377 0.1468-1.1707 ( 3971 PWs) bands (ev): -6.1315 -6.1315 -6.0956 -6.0956 -6.0366 -6.0366 -6.0322 -6.0322 -5.3188 -5.3188 -5.2929 -5.2929 -5.2039 -5.2039 -5.2028 -5.2028 -5.1396 -5.1396 -5.1278 -5.1278 -2.2214 -2.2214 -1.9305 -1.9305 -1.3233 -1.3233 2.1501 2.1501 3.1887 3.1887 4.2805 4.2805 5.3121 5.3121 5.8596 5.8596 6.2468 6.2468 7.1722 7.1722 7.9418 7.9418 8.2553 8.2553 9.3144 9.3144 11.0274 11.0274 11.8015 11.8015 13.1152 13.1152 k = 0.6607 0.1521-1.1609 ( 3969 PWs) bands (ev): -6.1319 -6.1319 -6.0951 -6.0951 -6.0365 -6.0365 -6.0322 -6.0322 -5.3192 -5.3192 -5.2922 -5.2922 -5.2040 -5.2040 -5.2027 -5.2027 -5.1396 -5.1396 -5.1277 -5.1277 -2.2397 -2.2397 -1.9105 -1.9105 -1.3289 -1.3289 2.1729 2.1729 3.1643 3.1643 4.2424 4.2424 5.3224 5.3224 5.8867 5.8867 6.3359 6.3359 7.1019 7.1019 7.9188 7.9188 8.2777 8.2777 9.3240 9.3240 10.9926 10.9926 11.8397 11.8397 13.2029 13.2029 k = 0.6607 0.1521-1.1609 ( 3969 PWs) bands (ev): -6.1319 -6.1319 -6.0951 -6.0951 -6.0365 -6.0365 -6.0322 -6.0322 -5.3192 -5.3192 -5.2922 -5.2922 -5.2040 -5.2040 -5.2027 -5.2027 -5.1396 -5.1396 -5.1277 -5.1277 -2.2397 -2.2397 -1.9105 -1.9105 -1.3289 -1.3289 2.1729 2.1729 3.1643 3.1643 4.2424 4.2424 5.3224 5.3224 5.8867 5.8867 6.3359 6.3359 7.1019 7.1019 7.9188 7.9188 8.2777 8.2777 9.3240 9.3240 10.9926 10.9926 11.8397 11.8397 13.2029 13.2029 k = 0.6569 0.1512-1.1323 ( 3967 PWs) bands (ev): -6.1315 -6.1315 -6.0948 -6.0948 -6.0365 -6.0365 -6.0323 -6.0323 -5.3190 -5.3190 -5.2918 -5.2918 -5.2040 -5.2040 -5.2028 -5.2028 -5.1398 -5.1398 -5.1279 -5.1279 -2.2492 -2.2492 -1.9352 -1.9352 -1.3197 -1.3197 2.2085 2.2085 3.1532 3.1532 4.2863 4.2863 5.2491 5.2491 5.8861 5.8861 6.3867 6.3867 7.0964 7.0964 7.9319 7.9319 8.2848 8.2848 9.3458 9.3458 11.0444 11.0444 11.8638 11.8638 13.1415 13.1415 k = 0.6532 0.1503-1.1037 ( 3967 PWs) bands (ev): -6.1308 -6.1308 -6.0943 -6.0943 -6.0365 -6.0365 -6.0323 -6.0323 -5.3186 -5.3186 -5.2912 -5.2912 -5.2040 -5.2040 -5.2028 -5.2028 -5.1400 -5.1400 -5.1282 -5.1282 -2.2658 -2.2658 -1.9665 -1.9665 -1.3068 -1.3068 2.2519 2.2519 3.1470 3.1470 4.3345 4.3345 5.1736 5.1736 5.8933 5.8933 6.4442 6.4442 7.0932 7.0932 7.9431 7.9431 8.2934 8.2934 9.3685 9.3685 11.0977 11.0977 11.8917 11.8917 13.0806 13.0806 k = 0.6495 0.1495-1.0751 ( 3967 PWs) bands (ev): -6.1299 -6.1299 -6.0937 -6.0937 -6.0366 -6.0366 -6.0324 -6.0324 -5.3182 -5.3182 -5.2905 -5.2905 -5.2042 -5.2042 -5.2028 -5.2028 -5.1403 -5.1403 -5.1286 -5.1286 -2.2889 -2.2889 -2.0038 -2.0038 -1.2912 -1.2912 2.3028 2.3028 3.1458 3.1458 4.3857 4.3857 5.0999 5.0999 5.9063 5.9063 6.5074 6.5074 7.0925 7.0925 7.9524 7.9524 8.3037 8.3037 9.3917 9.3917 11.1513 11.1513 11.9232 11.9232 13.0241 13.0241 k = 0.6457 0.1486-1.0465 ( 3962 PWs) bands (ev): -6.1288 -6.1288 -6.0930 -6.0930 -6.0366 -6.0366 -6.0325 -6.0325 -5.3176 -5.3176 -5.2896 -5.2896 -5.2043 -5.2043 -5.2028 -5.2028 -5.1406 -5.1406 -5.1290 -5.1290 -2.3174 -2.3174 -2.0465 -2.0465 -1.2741 -1.2741 2.3608 2.3608 3.1494 3.1494 4.4374 4.4374 5.0328 5.0328 5.9239 5.9239 6.5752 6.5752 7.0942 7.0942 7.9600 7.9600 8.3160 8.3160 9.4151 9.4151 11.2040 11.2040 11.9581 11.9581 12.9746 12.9746 k = 0.6420 0.1478-1.0179 ( 3964 PWs) bands (ev): -6.1275 -6.1275 -6.0921 -6.0921 -6.0367 -6.0367 -6.0326 -6.0326 -5.3168 -5.3168 -5.2885 -5.2885 -5.2046 -5.2046 -5.2028 -5.2028 -5.1410 -5.1410 -5.1295 -5.1295 -2.3505 -2.3505 -2.0937 -2.0937 -1.2566 -1.2566 2.4253 2.4253 3.1578 3.1578 4.4851 4.4851 4.9780 4.9780 5.9453 5.9453 6.6465 6.6465 7.0987 7.0987 7.9662 7.9662 8.3302 8.3302 9.4383 9.4383 11.2544 11.2544 11.9962 11.9962 12.9342 12.9342 k = 0.6383 0.1469-0.9893 ( 3968 PWs) bands (ev): -6.1260 -6.1260 -6.0911 -6.0911 -6.0368 -6.0368 -6.0327 -6.0327 -5.3159 -5.3159 -5.2873 -5.2873 -5.2049 -5.2049 -5.2028 -5.2028 -5.1415 -5.1415 -5.1302 -5.1302 -2.3876 -2.3876 -2.1447 -2.1447 -1.2398 -1.2398 2.4958 2.4958 3.1707 3.1707 4.5213 4.5213 4.9444 4.9444 5.9702 5.9702 6.7202 6.7202 7.1065 7.1065 7.9713 7.9713 8.3465 8.3465 9.4611 9.4611 11.3010 11.3010 12.0372 12.0372 12.9045 12.9045 k = 0.6345 0.1460-0.9607 ( 3972 PWs) bands (ev): -6.1243 -6.1243 -6.0900 -6.0900 -6.0369 -6.0369 -6.0328 -6.0328 -5.3149 -5.3149 -5.2859 -5.2859 -5.2052 -5.2052 -5.2028 -5.2028 -5.1420 -5.1420 -5.1308 -5.1308 -2.4280 -2.4280 -2.1986 -2.1986 -1.2246 -1.2246 2.5716 2.5716 3.1879 3.1879 4.5367 4.5367 4.9419 4.9419 5.9982 5.9982 6.7948 6.7948 7.1185 7.1185 7.9756 7.9756 8.3649 8.3649 9.4832 9.4832 11.3422 11.3422 12.0811 12.0811 12.8870 12.8870 k = 0.6308 0.1452-0.9321 ( 3976 PWs) bands (ev): -6.1224 -6.1224 -6.0887 -6.0887 -6.0370 -6.0370 -6.0330 -6.0330 -5.3138 -5.3138 -5.2843 -5.2843 -5.2055 -5.2055 -5.2028 -5.2028 -5.1426 -5.1426 -5.1316 -5.1316 -2.4709 -2.4709 -2.2548 -2.2548 -1.2115 -1.2115 2.6519 2.6519 3.2089 3.2089 4.5294 4.5294 4.9735 4.9735 6.0293 6.0293 6.8679 6.8679 7.1363 7.1363 7.9796 7.9796 8.3853 8.3853 9.5044 9.5044 11.3768 11.3768 12.1274 12.1274 12.8828 12.8828 k = 0.6270 0.1443-0.9035 ( 3970 PWs) bands (ev): -6.1203 -6.1203 -6.0874 -6.0874 -6.0372 -6.0372 -6.0331 -6.0331 -5.3125 -5.3125 -5.2826 -5.2826 -5.2058 -5.2058 -5.2028 -5.2028 -5.1433 -5.1433 -5.1324 -5.1324 -2.5159 -2.5159 -2.3128 -2.3128 -1.2010 -1.2010 2.7356 2.7356 3.2335 3.2335 4.5076 4.5076 5.0322 5.0322 6.0633 6.0633 6.9358 6.9358 7.1631 7.1631 7.9837 7.9837 8.4075 8.4075 9.5246 9.5246 11.4037 11.4037 12.1761 12.1761 12.8922 12.8922 k = 0.6233 0.1435-0.8749 ( 3971 PWs) bands (ev): -6.1181 -6.1181 -6.0859 -6.0859 -6.0373 -6.0373 -6.0333 -6.0333 -5.3110 -5.3110 -5.2808 -5.2808 -5.2062 -5.2062 -5.2028 -5.2028 -5.1439 -5.1439 -5.1333 -5.1333 -2.5626 -2.5626 -2.3721 -2.3721 -1.1936 -1.1936 2.8209 2.8209 3.2614 3.2614 4.4819 4.4819 5.1083 5.1083 6.1002 6.1002 6.9936 6.9936 7.2030 7.2030 7.9886 7.9886 8.4316 8.4316 9.5436 9.5436 11.4228 11.4228 12.2269 12.2269 12.9148 12.9148 k = 0.6196 0.1426-0.8463 ( 3973 PWs) bands (ev): -6.1158 -6.1158 -6.0844 -6.0844 -6.0375 -6.0375 -6.0334 -6.0334 -5.3094 -5.3094 -5.2789 -5.2789 -5.2065 -5.2065 -5.2028 -5.2028 -5.1447 -5.1447 -5.1342 -5.1342 -2.6104 -2.6104 -2.4322 -2.4322 -1.1893 -1.1893 2.9053 2.9053 3.2935 3.2935 4.4603 4.4603 5.1954 5.1954 6.1400 6.1400 7.0380 7.0380 7.2584 7.2584 7.9949 7.9949 8.4575 8.4575 9.5611 9.5611 11.4345 11.4345 12.2794 12.2794 12.9491 12.9491 k = 0.6158 0.1417-0.8177 ( 3973 PWs) bands (ev): -6.1133 -6.1133 -6.0827 -6.0827 -6.0376 -6.0376 -6.0336 -6.0336 -5.3077 -5.3077 -5.2768 -5.2768 -5.2069 -5.2069 -5.2028 -5.2028 -5.1454 -5.1454 -5.1352 -5.1352 -2.6591 -2.6591 -2.4928 -2.4928 -1.1883 -1.1883 2.9841 2.9841 3.3319 3.3319 4.4478 4.4478 5.2897 5.2897 6.1828 6.1828 7.0710 7.0710 7.3262 7.3262 8.0038 8.0038 8.4849 8.4849 9.5771 9.5771 11.4397 11.4397 12.3333 12.3333 12.9924 12.9924 k = 0.6121 0.1409-0.7891 ( 3969 PWs) bands (ev): -6.1107 -6.1107 -6.0810 -6.0810 -6.0378 -6.0378 -6.0338 -6.0338 -5.3058 -5.3058 -5.2746 -5.2746 -5.2073 -5.2073 -5.2028 -5.2028 -5.1462 -5.1462 -5.1363 -5.1363 -2.7082 -2.7082 -2.5535 -2.5535 -1.1906 -1.1906 3.0506 3.0506 3.3815 3.3815 4.4479 4.4479 5.3891 5.3891 6.2284 6.2284 7.0970 7.0970 7.4005 7.4005 8.0164 8.0164 8.5139 8.5139 9.5915 9.5915 11.4398 11.4398 12.3877 12.3877 13.0390 13.0390 k = 0.6084 0.1400-0.7605 ( 3964 PWs) bands (ev): -6.1081 -6.1081 -6.0793 -6.0793 -6.0380 -6.0380 -6.0340 -6.0340 -5.3038 -5.3038 -5.2723 -5.2723 -5.2076 -5.2076 -5.2029 -5.2029 -5.1470 -5.1470 -5.1373 -5.1373 -2.7576 -2.7576 -2.6140 -2.6140 -1.1960 -1.1960 3.0979 3.0979 3.4474 3.4474 4.4628 4.4628 5.4919 5.4919 6.2769 6.2769 7.1194 7.1194 7.4759 7.4759 8.0345 8.0345 8.5444 8.5444 9.6040 9.6040 11.4366 11.4366 12.4420 12.4420 13.0736 13.0736 k = 0.6046 0.1392-0.7319 ( 3958 PWs) bands (ev): -6.1053 -6.1053 -6.0775 -6.0775 -6.0382 -6.0382 -6.0342 -6.0342 -5.3017 -5.3017 -5.2699 -5.2699 -5.2079 -5.2079 -5.2029 -5.2029 -5.1479 -5.1479 -5.1384 -5.1384 -2.8068 -2.8068 -2.6741 -2.6741 -1.2044 -1.2044 3.1233 3.1233 3.5312 3.5312 4.4937 4.4937 5.5971 5.5971 6.3284 6.3284 7.1402 7.1402 7.5480 7.5480 8.0601 8.0601 8.5763 8.5763 9.6149 9.6149 11.4316 11.4316 12.4950 12.4950 13.0746 13.0746 k = 0.6009 0.1383-0.7033 ( 3968 PWs) bands (ev): -6.1025 -6.1025 -6.0756 -6.0756 -6.0383 -6.0383 -6.0345 -6.0345 -5.2994 -5.2994 -5.2674 -5.2674 -5.2083 -5.2083 -5.2029 -5.2029 -5.1488 -5.1488 -5.1396 -5.1396 -2.8557 -2.8557 -2.7335 -2.7335 -1.2156 -1.2156 3.1298 3.1298 3.6296 3.6296 4.5407 4.5407 5.7037 5.7037 6.3827 6.3827 7.1604 7.1604 7.6130 7.6130 8.0956 8.0956 8.6097 8.6097 9.6241 9.6241 11.4262 11.4262 12.5455 12.5455 13.0548 13.0548 k = 0.5972 0.1374-0.6747 ( 3959 PWs) bands (ev): -6.0997 -6.0997 -6.0738 -6.0738 -6.0385 -6.0385 -6.0347 -6.0347 -5.2970 -5.2970 -5.2648 -5.2648 -5.2085 -5.2085 -5.2029 -5.2029 -5.1497 -5.1497 -5.1407 -5.1407 -2.9041 -2.9041 -2.7921 -2.7921 -1.2293 -1.2293 3.1220 3.1220 3.7385 3.7385 4.6033 4.6033 5.8108 5.8108 6.4400 6.4400 7.1807 7.1807 7.6683 7.6683 8.1423 8.1423 8.6447 8.6447 9.6319 9.6319 11.4217 11.4217 12.5919 12.5919 13.0286 13.0286 k = 0.5934 0.1366-0.6461 ( 3959 PWs) bands (ev): -6.0968 -6.0968 -6.0719 -6.0719 -6.0387 -6.0387 -6.0349 -6.0349 -5.2945 -5.2945 -5.2622 -5.2622 -5.2088 -5.2088 -5.2028 -5.2028 -5.1506 -5.1506 -5.1419 -5.1419 -2.9518 -2.9518 -2.8496 -2.8496 -1.2453 -1.2453 3.1037 3.1037 3.8545 3.8545 4.6803 4.6803 5.9177 5.9177 6.5001 6.5001 7.2016 7.2016 7.7129 7.7129 8.1999 8.1999 8.6814 8.6814 9.6389 9.6389 11.4193 11.4193 12.6318 12.6318 13.0010 13.0010 k = 0.5897 0.1357-0.6175 ( 3965 PWs) bands (ev): -6.0939 -6.0939 -6.0700 -6.0700 -6.0389 -6.0389 -6.0352 -6.0352 -5.2919 -5.2919 -5.2595 -5.2595 -5.2090 -5.2090 -5.2028 -5.2028 -5.1515 -5.1515 -5.1431 -5.1431 -2.9985 -2.9985 -2.9059 -2.9059 -1.2633 -1.2633 3.0781 3.0781 3.9755 3.9755 4.7703 4.7703 6.0236 6.0236 6.5628 6.5628 7.2233 7.2233 7.7480 7.7480 8.2655 8.2655 8.7200 8.7200 9.6459 9.6459 11.4196 11.4196 12.6622 12.6622 12.9749 12.9749 k = 0.5859 0.1349-0.5890 ( 3962 PWs) bands (ev): -6.0910 -6.0910 -6.0682 -6.0682 -6.0390 -6.0390 -6.0354 -6.0354 -5.2892 -5.2892 -5.2568 -5.2568 -5.2092 -5.2092 -5.2027 -5.2027 -5.1524 -5.1524 -5.1442 -5.1442 -3.0443 -3.0443 -2.9608 -2.9608 -1.2830 -1.2830 3.0474 3.0474 4.1002 4.1002 4.8720 4.8720 6.1277 6.1277 6.6280 6.6280 7.2464 7.2464 7.7757 7.7757 8.3351 8.3351 8.7607 8.7607 9.6543 9.6543 11.4233 11.4233 12.6795 12.6795 12.9529 12.9529 k = 0.5822 0.1340-0.5604 ( 3959 PWs) bands (ev): -6.0882 -6.0882 -6.0663 -6.0663 -6.0392 -6.0392 -6.0356 -6.0356 -5.2864 -5.2864 -5.2541 -5.2541 -5.2093 -5.2093 -5.2026 -5.2026 -5.1533 -5.1533 -5.1454 -5.1454 -3.0888 -3.0888 -3.0141 -3.0141 -1.3041 -1.3041 3.0132 3.0132 4.2278 4.2278 4.9839 4.9839 6.2293 6.2293 6.6950 6.6950 7.2714 7.2714 7.7986 7.7986 8.4040 8.4040 8.8035 8.8035 9.6660 9.6660 11.4307 11.4307 12.6805 12.6805 12.9358 12.9358 k = 0.5785 0.1331-0.5318 ( 3957 PWs) bands (ev): -6.0853 -6.0853 -6.0646 -6.0646 -6.0393 -6.0393 -6.0358 -6.0358 -5.2835 -5.2835 -5.2514 -5.2514 -5.2093 -5.2093 -5.2025 -5.2025 -5.1542 -5.1542 -5.1465 -5.1465 -3.1321 -3.1321 -3.0658 -3.0658 -1.3264 -1.3264 2.9769 2.9769 4.3574 4.3574 5.1050 5.1050 6.3277 6.3277 6.7632 6.7632 7.2992 7.2992 7.8187 7.8187 8.4677 8.4677 8.8476 8.8476 9.6839 9.6839 11.4422 11.4422 12.6650 12.6650 12.9203 12.9203 k = 0.5747 0.1323-0.5032 ( 3961 PWs) bands (ev): -6.0826 -6.0826 -6.0629 -6.0629 -6.0395 -6.0395 -6.0360 -6.0360 -5.2807 -5.2807 -5.2488 -5.2488 -5.2093 -5.2093 -5.2023 -5.2023 -5.1551 -5.1551 -5.1476 -5.1476 -3.1740 -3.1740 -3.1157 -3.1157 -1.3494 -1.3494 2.9395 2.9395 4.4886 4.4886 5.2340 5.2340 6.4223 6.4223 6.8315 6.8315 7.3306 7.3306 7.8377 7.8377 8.5232 8.5232 8.8910 8.8910 9.7114 9.7114 11.4577 11.4577 12.6359 12.6359 12.8991 12.8991 k = 0.5710 0.1314-0.4746 ( 3965 PWs) bands (ev): -6.0798 -6.0798 -6.0612 -6.0612 -6.0396 -6.0396 -6.0361 -6.0361 -5.2778 -5.2778 -5.2462 -5.2462 -5.2091 -5.2091 -5.2021 -5.2021 -5.1560 -5.1560 -5.1487 -5.1487 -3.2144 -3.2144 -3.1638 -3.1638 -1.3731 -1.3731 2.9016 2.9016 4.6211 4.6211 5.3700 5.3700 6.5126 6.5126 6.8985 6.8985 7.3668 7.3668 7.8568 7.8568 8.5684 8.5684 8.9302 8.9302 9.7523 9.7523 11.4771 11.4771 12.5966 12.5966 12.8647 12.8647 k = 0.5673 0.1306-0.4460 ( 3966 PWs) bands (ev): -6.0772 -6.0772 -6.0597 -6.0597 -6.0397 -6.0397 -6.0362 -6.0362 -5.2749 -5.2749 -5.2437 -5.2437 -5.2088 -5.2088 -5.2018 -5.2018 -5.1569 -5.1569 -5.1498 -5.1498 -3.2532 -3.2532 -3.2098 -3.2098 -1.3971 -1.3971 2.8640 2.8640 4.7544 4.7544 5.5119 5.5119 6.5981 6.5981 6.9629 6.9629 7.4089 7.4089 7.8771 7.8771 8.6027 8.6027 8.9617 8.9617 9.8100 9.8100 11.5001 11.5001 12.5488 12.5488 12.8143 12.8143 k = 0.5635 0.1297-0.4174 ( 3958 PWs) bands (ev): -6.0746 -6.0746 -6.0583 -6.0583 -6.0398 -6.0398 -6.0363 -6.0363 -5.2720 -5.2720 -5.2414 -5.2414 -5.2084 -5.2084 -5.2014 -5.2014 -5.1578 -5.1578 -5.1508 -5.1508 -3.2905 -3.2905 -3.2537 -3.2537 -1.4211 -1.4211 2.8272 2.8272 4.8882 4.8882 5.6589 5.6589 6.6781 6.6781 7.0237 7.0237 7.4571 7.4571 7.8996 7.8996 8.6262 8.6262 8.9828 8.9828 9.8859 9.8859 11.5265 11.5265 12.4922 12.4922 12.7521 12.7521 k = 0.5598 0.1288-0.3888 ( 3953 PWs) bands (ev): -6.0721 -6.0721 -6.0570 -6.0570 -6.0399 -6.0399 -6.0363 -6.0363 -5.2691 -5.2691 -5.2392 -5.2392 -5.2078 -5.2078 -5.2010 -5.2010 -5.1586 -5.1586 -5.1518 -5.1518 -3.3261 -3.3261 -3.2953 -3.2953 -1.4450 -1.4450 2.7913 2.7913 5.0222 5.0222 5.8100 5.8100 6.7519 6.7519 7.0813 7.0813 7.5108 7.5108 7.9254 7.9254 8.6390 8.6390 8.9932 8.9932 9.9795 9.9795 11.5555 11.5555 12.4247 12.4247 12.6866 12.6866 k = 0.5560 0.1280-0.3602 ( 3949 PWs) bands (ev): -6.0698 -6.0698 -6.0558 -6.0558 -6.0401 -6.0401 -6.0362 -6.0362 -5.2664 -5.2664 -5.2373 -5.2373 -5.2071 -5.2071 -5.2005 -5.2005 -5.1594 -5.1594 -5.1528 -5.1528 -3.3601 -3.3601 -3.3345 -3.3345 -1.4684 -1.4684 2.7568 2.7568 5.1561 5.1561 5.9641 5.9641 6.8185 6.8185 7.1372 7.1372 7.5678 7.5678 7.9560 7.9560 8.6414 8.6414 8.9942 8.9942 10.0885 10.0885 11.5866 11.5866 12.3442 12.3442 12.6265 12.6265 k = 0.5523 0.1271-0.3316 ( 3949 PWs) bands (ev): -6.0675 -6.0675 -6.0547 -6.0547 -6.0402 -6.0402 -6.0361 -6.0361 -5.2637 -5.2637 -5.2356 -5.2356 -5.2062 -5.2062 -5.1999 -5.1999 -5.1602 -5.1602 -5.1536 -5.1536 -3.3925 -3.3925 -3.3712 -3.3712 -1.4914 -1.4914 2.7239 2.7239 5.2897 5.2897 6.1200 6.1200 6.8771 6.8771 7.1935 7.1935 7.6249 7.6249 7.9929 7.9929 8.6334 8.6334 8.9880 8.9880 10.2100 10.2100 11.6187 11.6187 12.2511 12.2511 12.5764 12.5764 k = 0.5486 0.1263-0.3030 ( 3957 PWs) bands (ev): -6.0654 -6.0654 -6.0537 -6.0537 -6.0403 -6.0403 -6.0359 -6.0359 -5.2612 -5.2612 -5.2340 -5.2340 -5.2051 -5.2051 -5.1992 -5.1992 -5.1610 -5.1610 -5.1545 -5.1545 -3.4234 -3.4234 -3.4051 -3.4051 -1.5135 -1.5135 2.6927 2.6927 5.4226 5.4226 6.2761 6.2761 6.9277 6.9277 7.2525 7.2525 7.6782 7.6782 8.0376 8.0376 8.6155 8.6155 8.9768 8.9768 10.3407 10.3407 11.6500 11.6500 12.1496 12.1496 12.5370 12.5370 k = 0.5448 0.1254-0.2744 ( 3952 PWs) bands (ev): -6.0635 -6.0635 -6.0528 -6.0528 -6.0404 -6.0404 -6.0357 -6.0357 -5.2589 -5.2589 -5.2328 -5.2328 -5.2039 -5.2039 -5.1984 -5.1984 -5.1617 -5.1617 -5.1553 -5.1553 -3.4530 -3.4530 -3.4359 -3.4359 -1.5347 -1.5347 2.6635 2.6635 5.5544 5.5544 6.4299 6.4299 6.9718 6.9718 7.3155 7.3155 7.7250 7.7250 8.0906 8.0906 8.5884 8.5884 8.9620 8.9620 10.4776 10.4776 11.6773 11.6773 12.0457 12.0457 12.5070 12.5070 k = 0.5411 0.1245-0.2458 ( 3943 PWs) bands (ev): -6.0618 -6.0618 -6.0520 -6.0520 -6.0405 -6.0405 -6.0355 -6.0355 -5.2567 -5.2567 -5.2317 -5.2317 -5.2026 -5.2026 -5.1975 -5.1975 -5.1624 -5.1624 -5.1560 -5.1560 -3.4812 -3.4812 -3.4638 -3.4638 -1.5547 -1.5547 2.6363 2.6363 5.6847 5.6847 6.5772 6.5772 7.0135 7.0135 7.3827 7.3827 7.7635 7.7635 8.1505 8.1505 8.5535 8.5535 8.9447 8.9447 10.6175 10.6175 11.6926 11.6926 11.9497 11.9497 12.4843 12.4843 k = 0.5374 0.1237-0.2172 ( 3940 PWs) bands (ev): -6.0602 -6.0602 -6.0512 -6.0512 -6.0405 -6.0405 -6.0353 -6.0353 -5.2546 -5.2546 -5.2308 -5.2308 -5.2013 -5.2013 -5.1966 -5.1966 -5.1631 -5.1631 -5.1567 -5.1567 -3.5076 -3.5076 -3.4887 -3.4887 -1.5736 -1.5736 2.6112 2.6112 5.8131 5.8131 6.7101 6.7101 7.0607 7.0607 7.4537 7.4537 7.7941 7.7941 8.2141 8.2141 8.5132 8.5132 8.9254 8.9254 10.7566 10.7566 11.6755 11.6755 11.8829 11.8829 12.4640 12.4640 k = 0.5336 0.1228-0.1886 ( 3931 PWs) bands (ev): -6.0589 -6.0589 -6.0505 -6.0505 -6.0405 -6.0405 -6.0351 -6.0351 -5.2528 -5.2528 -5.2301 -5.2301 -5.2000 -5.2000 -5.1955 -5.1955 -5.1638 -5.1638 -5.1573 -5.1573 -3.5321 -3.5321 -3.5110 -3.5110 -1.5910 -1.5910 2.5883 2.5883 5.9389 5.9389 6.8152 6.8152 7.1264 7.1264 7.5278 7.5278 7.8173 7.8173 8.2756 8.2756 8.4716 8.4716 8.9049 8.9049 10.8903 10.8903 11.6104 11.6104 11.8612 11.8612 12.4297 12.4297 k = 0.5299 0.1220-0.1600 ( 3931 PWs) bands (ev): -6.0578 -6.0578 -6.0498 -6.0498 -6.0404 -6.0404 -6.0349 -6.0349 -5.2512 -5.2512 -5.2296 -5.2296 -5.1987 -5.1987 -5.1944 -5.1944 -5.1643 -5.1643 -5.1579 -5.1579 -3.5544 -3.5544 -3.5308 -3.5308 -1.6069 -1.6069 2.5677 2.5677 6.0616 6.0616 6.8825 6.8825 7.2194 7.2194 7.6048 7.6048 7.8342 7.8342 8.3210 8.3210 8.4404 8.4404 8.8841 8.8841 11.0110 11.0110 11.5205 11.5205 11.8610 11.8610 12.3641 12.3641 k = 0.5262 0.1211-0.1314 ( 3937 PWs) bands (ev): -6.0569 -6.0569 -6.0491 -6.0491 -6.0402 -6.0402 -6.0349 -6.0349 -5.2499 -5.2499 -5.2291 -5.2291 -5.1975 -5.1975 -5.1933 -5.1933 -5.1649 -5.1649 -5.1584 -5.1584 -3.5742 -3.5742 -3.5482 -3.5482 -1.6212 -1.6212 2.5494 2.5494 6.1803 6.1803 6.9182 6.9182 7.3310 7.3310 7.6845 7.6845 7.8453 7.8453 8.3206 8.3206 8.4473 8.4473 8.8648 8.8648 11.1059 11.1059 11.4301 11.4301 11.8613 11.8613 12.3055 12.3055 k = 0.5224 0.1202-0.1028 ( 3939 PWs) bands (ev): -6.0561 -6.0561 -6.0486 -6.0486 -6.0399 -6.0399 -6.0349 -6.0349 -5.2487 -5.2487 -5.2288 -5.2288 -5.1964 -5.1964 -5.1922 -5.1922 -5.1654 -5.1654 -5.1589 -5.1589 -3.5915 -3.5915 -3.5632 -3.5632 -1.6338 -1.6338 2.5334 2.5334 6.2940 6.2940 6.9348 6.9348 7.4449 7.4449 7.7660 7.7660 7.8525 7.8525 8.2864 8.2864 8.4776 8.4776 8.8500 8.8500 11.1534 11.1534 11.3569 11.3569 11.8611 11.8611 12.2821 12.2821 k = 0.5187 0.1194-0.0742 ( 3937 PWs) bands (ev): -6.0556 -6.0556 -6.0481 -6.0481 -6.0395 -6.0395 -6.0349 -6.0349 -5.2477 -5.2477 -5.2285 -5.2285 -5.1954 -5.1954 -5.1912 -5.1912 -5.1658 -5.1658 -5.1593 -5.1593 -3.6063 -3.6063 -3.5760 -3.5760 -1.6446 -1.6446 2.5199 2.5199 6.4015 6.4015 6.9398 6.9398 7.5489 7.5489 7.8290 7.8290 7.8768 7.8768 8.2476 8.2476 8.4995 8.4995 8.8427 8.8427 11.1357 11.1357 11.3129 11.3129 11.8716 11.8716 12.2957 12.2957 k = 0.5149 0.1185-0.0456 ( 3933 PWs) bands (ev): -6.0552 -6.0552 -6.0478 -6.0478 -6.0390 -6.0390 -6.0351 -6.0351 -5.2469 -5.2469 -5.2283 -5.2283 -5.1946 -5.1946 -5.1904 -5.1904 -5.1662 -5.1662 -5.1596 -5.1596 -3.6185 -3.6185 -3.5864 -3.5864 -1.6535 -1.6535 2.5088 2.5088 6.5013 6.5013 6.9364 6.9364 7.6356 7.6356 7.8335 7.8335 7.9578 7.9578 8.2140 8.2140 8.5029 8.5029 8.8445 8.8445 11.0804 11.0804 11.2781 11.2781 11.8967 11.8967 12.3367 12.3367 k = 0.5112 0.1177-0.0170 ( 3925 PWs) bands (ev): -6.0549 -6.0549 -6.0475 -6.0475 -6.0384 -6.0384 -6.0353 -6.0353 -5.2463 -5.2463 -5.2282 -5.2282 -5.1939 -5.1939 -5.1897 -5.1897 -5.1665 -5.1665 -5.1599 -5.1599 -3.6279 -3.6279 -3.5945 -3.5945 -1.6605 -1.6605 2.5001 2.5001 6.5913 6.5913 6.9255 6.9255 7.7007 7.7007 7.8270 7.8270 8.0457 8.0457 8.1904 8.1904 8.4877 8.4877 8.8528 8.8528 11.0220 11.0220 11.2388 11.2388 11.9275 11.9275 12.3921 12.3921 k = 0.5075 0.1168 0.0116 ( 3919 PWs) bands (ev): -6.0547 -6.0547 -6.0473 -6.0473 -6.0379 -6.0379 -6.0356 -6.0356 -5.2459 -5.2459 -5.2281 -5.2281 -5.1934 -5.1934 -5.1891 -5.1891 -5.1667 -5.1667 -5.1601 -5.1601 -3.6347 -3.6347 -3.6003 -3.6003 -1.6655 -1.6655 2.4939 2.4939 6.6688 6.6688 6.9077 6.9077 7.7403 7.7403 7.8242 7.8242 8.1164 8.1164 8.1870 8.1870 8.4584 8.4584 8.8626 8.8626 10.9745 10.9745 11.2020 11.2020 11.9539 11.9539 12.4456 12.4456 k = 0.5037 0.1159 0.0402 ( 3919 PWs) bands (ev): -6.0546 -6.0546 -6.0472 -6.0472 -6.0374 -6.0374 -6.0360 -6.0360 -5.2456 -5.2456 -5.2280 -5.2280 -5.1930 -5.1930 -5.1888 -5.1888 -5.1669 -5.1669 -5.1602 -5.1602 -3.6388 -3.6388 -3.6038 -3.6038 -1.6685 -1.6685 2.4902 2.4902 6.7280 6.7280 6.8857 6.8857 7.7547 7.7547 7.8296 7.8296 8.1369 8.1369 8.2258 8.2258 8.4235 8.4235 8.8699 8.8699 10.9441 10.9441 11.1763 11.1763 11.9708 11.9708 12.4823 12.4823 k = 0.5000 0.1151 0.0688 ( 3928 PWs) bands (ev): -6.0546 -6.0546 -6.0472 -6.0472 -6.0371 -6.0371 -6.0362 -6.0362 -5.2455 -5.2455 -5.2280 -5.2280 -5.1929 -5.1929 -5.1887 -5.1887 -5.1669 -5.1669 -5.1602 -5.1602 -3.6402 -3.6402 -3.6050 -3.6050 -1.6695 -1.6695 2.4889 2.4889 6.7536 6.7536 6.8729 6.8729 7.7569 7.7569 7.8337 7.8337 8.1377 8.1377 8.2530 8.2530 8.4040 8.4040 8.8726 8.8726 10.9337 10.9337 11.1672 11.1672 11.9765 11.9765 12.4949 12.4949 k = 0.5000-1.0286-0.6148 ( 3974 PWs) bands (ev): -6.1370 -6.1370 -6.0909 -6.0909 -6.0359 -6.0359 -6.0326 -6.0326 -5.3238 -5.3238 -5.2867 -5.2867 -5.2047 -5.2047 -5.2011 -5.2011 -5.1402 -5.1402 -5.1271 -5.1271 -2.3683 -2.3683 -1.5565 -1.5565 -1.5279 -1.5279 2.2988 2.2988 3.1325 3.1325 3.5217 3.5217 6.1577 6.1577 6.2418 6.2418 6.6550 6.6550 6.6767 6.6767 7.7541 7.7541 8.1103 8.1103 8.9110 8.9110 11.3555 11.3555 12.0311 12.0311 12.6284 12.6284 k = 0.5268-1.0190-0.6091 ( 3970 PWs) bands (ev): -6.1369 -6.1369 -6.0909 -6.0909 -6.0359 -6.0359 -6.0326 -6.0326 -5.3238 -5.3238 -5.2868 -5.2868 -5.2046 -5.2046 -5.2011 -5.2011 -5.1402 -5.1402 -5.1271 -5.1271 -2.3673 -2.3673 -1.5719 -1.5719 -1.5137 -1.5137 2.2979 2.2979 3.1286 3.1286 3.5319 3.5319 6.1232 6.1232 6.2721 6.2721 6.5743 6.5743 6.7623 6.7623 7.7082 7.7082 8.1572 8.1572 8.9081 8.9081 11.3406 11.3406 12.0413 12.0413 12.6352 12.6352 k = 0.5536-1.0094-0.6034 ( 3971 PWs) bands (ev): -6.1368 -6.1368 -6.0910 -6.0910 -6.0359 -6.0359 -6.0325 -6.0325 -5.3237 -5.3237 -5.2869 -5.2869 -5.2046 -5.2046 -5.2011 -5.2011 -5.1402 -5.1402 -5.1271 -5.1271 -2.3645 -2.3645 -1.5973 -1.5973 -1.4919 -1.4919 2.2952 2.2952 3.1185 3.1185 3.5607 3.5607 6.0624 6.0624 6.3142 6.3142 6.4985 6.4985 6.8577 6.8577 7.6110 7.6110 8.2575 8.2575 8.9001 8.9001 11.3000 11.3000 12.0668 12.0668 12.6541 12.6541 k = 0.5803-0.9998-0.5976 ( 3969 PWs) bands (ev): -6.1366 -6.1366 -6.0912 -6.0912 -6.0359 -6.0359 -6.0325 -6.0325 -5.3235 -5.3235 -5.2872 -5.2872 -5.2046 -5.2046 -5.2012 -5.2012 -5.1402 -5.1402 -5.1271 -5.1271 -2.3597 -2.3597 -1.6250 -1.6250 -1.4703 -1.4703 2.2905 2.2905 3.1057 3.1057 3.6045 3.6045 5.9943 5.9943 6.3180 6.3180 6.4705 6.4705 6.9470 6.9470 7.5052 7.5052 8.3690 8.3690 8.8910 8.8910 11.2421 11.2421 12.0955 12.0955 12.6802 12.6802 k = 0.6071-0.9902-0.5919 ( 3961 PWs) bands (ev): -6.1363 -6.1363 -6.0915 -6.0915 -6.0360 -6.0360 -6.0325 -6.0325 -5.3232 -5.3232 -5.2875 -5.2875 -5.2046 -5.2046 -5.2013 -5.2013 -5.1401 -5.1401 -5.1272 -5.1272 -2.3530 -2.3530 -1.6540 -1.6540 -1.4497 -1.4497 2.2838 2.2838 3.0938 3.0938 3.6597 3.6597 5.9212 5.9212 6.2678 6.2678 6.5051 6.5051 7.0159 7.0159 7.4167 7.4167 8.4697 8.4697 8.8892 8.8892 11.1756 11.1756 12.1143 12.1143 12.7065 12.7065 k = 0.6339-0.9807-0.5862 ( 3967 PWs) bands (ev): -6.1359 -6.1359 -6.0918 -6.0918 -6.0360 -6.0360 -6.0325 -6.0325 -5.3229 -5.3229 -5.2879 -5.2879 -5.2045 -5.2045 -5.2014 -5.2014 -5.1401 -5.1401 -5.1272 -5.1272 -2.3445 -2.3445 -1.6841 -1.6841 -1.4302 -1.4302 2.2749 2.2749 3.0853 3.0853 3.7231 3.7231 5.8436 5.8436 6.2048 6.2048 6.5609 6.5609 7.0323 7.0323 7.3820 7.3820 8.5382 8.5382 8.9108 8.9108 11.1072 11.1072 12.1143 12.1143 12.7381 12.7381 k = 0.6607-0.9711-0.5805 ( 3968 PWs) bands (ev): -6.1354 -6.1354 -6.0922 -6.0922 -6.0361 -6.0361 -6.0324 -6.0324 -5.3225 -5.3225 -5.2884 -5.2884 -5.2045 -5.2045 -5.2016 -5.2016 -5.1400 -5.1400 -5.1273 -5.1273 -2.3342 -2.3342 -1.7151 -1.7151 -1.4119 -1.4119 2.2639 2.2639 3.0817 3.0817 3.7927 3.7927 5.7626 5.7626 6.1447 6.1447 6.6206 6.6206 6.9809 6.9809 7.4196 7.4196 8.5590 8.5590 8.9681 8.9681 11.0427 11.0427 12.0944 12.0944 12.7864 12.7864 k = 0.6875-0.9615-0.5747 ( 3971 PWs) bands (ev): -6.1349 -6.1349 -6.0926 -6.0926 -6.0361 -6.0361 -6.0324 -6.0324 -5.3220 -5.3220 -5.2889 -5.2889 -5.2044 -5.2044 -5.2017 -5.2017 -5.1400 -5.1400 -5.1274 -5.1274 -2.3222 -2.3222 -1.7468 -1.7468 -1.3949 -1.3949 2.2511 2.2511 3.0836 3.0836 3.8667 3.8667 5.6798 5.6798 6.0902 6.0902 6.6733 6.6733 6.9022 6.9022 7.4967 7.4967 8.5400 8.5400 9.0501 9.0501 10.9872 10.9872 12.0597 12.0597 12.8529 12.8529 k = 0.7142-0.9519-0.5690 ( 3968 PWs) bands (ev): -6.1343 -6.1343 -6.0931 -6.0931 -6.0362 -6.0362 -6.0324 -6.0324 -5.3215 -5.3215 -5.2896 -5.2896 -5.2043 -5.2043 -5.2019 -5.2019 -5.1399 -5.1399 -5.1274 -5.1274 -2.3085 -2.3085 -1.7792 -1.7792 -1.3791 -1.3791 2.2366 2.2366 3.0911 3.0911 3.9436 3.9436 5.5974 5.5974 6.0414 6.0414 6.6838 6.6838 6.8567 6.8567 7.5872 7.5872 8.4981 8.4981 9.1368 9.1368 10.9457 10.9457 12.0167 12.0167 12.9337 12.9337 k = 0.7410-0.9423-0.5633 ( 3966 PWs) bands (ev): -6.1337 -6.1337 -6.0936 -6.0936 -6.0363 -6.0363 -6.0323 -6.0323 -5.3210 -5.3210 -5.2902 -5.2902 -5.2043 -5.2043 -5.2021 -5.2021 -5.1398 -5.1398 -5.1275 -5.1275 -2.2932 -2.2932 -1.8120 -1.8120 -1.3647 -1.3647 2.2211 2.2211 3.1037 3.1037 4.0217 4.0217 5.5176 5.5176 5.9975 5.9975 6.6175 6.6175 6.8885 6.8885 7.6806 7.6806 8.4442 8.4442 9.2139 9.2139 10.9229 10.9229 11.9705 11.9705 13.0244 13.0244 k = 0.7678-0.9327-0.5575 ( 3964 PWs) bands (ev): -6.1331 -6.1331 -6.0941 -6.0941 -6.0364 -6.0364 -6.0323 -6.0323 -5.3204 -5.3204 -5.2909 -5.2909 -5.2042 -5.2042 -5.2023 -5.2023 -5.1398 -5.1398 -5.1276 -5.1276 -2.2766 -2.2766 -1.8450 -1.8450 -1.3514 -1.3514 2.2049 2.2049 3.1208 3.1208 4.0991 4.0991 5.4431 5.4431 5.9577 5.9577 6.5236 6.5236 6.9523 6.9523 7.7713 7.7713 8.3849 8.3849 9.2732 9.2732 10.9227 10.9227 11.9243 11.9243 13.1201 13.1201 k = 0.7946-0.9231-0.5518 ( 3975 PWs) bands (ev): -6.1325 -6.1325 -6.0946 -6.0946 -6.0364 -6.0364 -6.0322 -6.0322 -5.3198 -5.3198 -5.2916 -5.2916 -5.2041 -5.2041 -5.2025 -5.2025 -5.1397 -5.1397 -5.1277 -5.1277 -2.2586 -2.2586 -1.8779 -1.8779 -1.3395 -1.3395 2.1887 2.1887 3.1414 3.1414 4.1737 4.1737 5.3769 5.3769 5.9211 5.9211 6.4275 6.4275 7.0251 7.0251 7.8540 7.8540 8.3262 8.3262 9.3100 9.3100 10.9466 10.9466 11.8803 11.8803 13.2097 13.2097 k = 0.8213-0.9135-0.5461 ( 3969 PWs) bands (ev): -6.1319 -6.1319 -6.0951 -6.0951 -6.0365 -6.0365 -6.0322 -6.0322 -5.3192 -5.3192 -5.2922 -5.2922 -5.2040 -5.2040 -5.2027 -5.2027 -5.1396 -5.1396 -5.1277 -5.1277 -2.2397 -2.2397 -1.9105 -1.9105 -1.3289 -1.3289 2.1729 2.1729 3.1643 3.1643 4.2424 4.2424 5.3224 5.3224 5.8867 5.8867 6.3359 6.3359 7.1019 7.1019 7.9188 7.9188 8.2777 8.2777 9.3240 9.3240 10.9926 10.9926 11.8397 11.8397 13.2029 13.2029 Writing output data file In2Te3.save init_run : 0.40s CPU 0.58s WALL ( 1 calls) electrons : 244.90s CPU 247.15s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.02s WALL ( 1 calls) potinit : 0.04s CPU 0.08s WALL ( 1 calls) Called by electrons: c_bands : 244.90s CPU 247.14s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.07s CPU 0.09s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.04s CPU 0.05s WALL ( 288 calls) cegterg : 223.93s CPU 225.71s WALL ( 411 calls) Called by sum_band: Called by *egterg: h_psi : 173.22s CPU 174.66s WALL ( 6607 calls) s_psi : 5.59s CPU 5.62s WALL ( 6607 calls) g_psi : 0.18s CPU 0.19s WALL ( 5908 calls) cdiaghg : 48.94s CPU 49.64s WALL ( 6196 calls) cegterg:over : 5.47s CPU 5.29s WALL ( 5908 calls) cegterg:upda : 4.80s CPU 4.67s WALL ( 5908 calls) cegterg:last : 2.19s CPU 2.17s WALL ( 1016 calls) cdiaghg:chol : 2.78s CPU 2.86s WALL ( 6196 calls) cdiaghg:inve : 1.96s CPU 1.91s WALL ( 6196 calls) cdiaghg:para : 2.99s CPU 3.08s WALL ( 12392 calls) Called by h_psi: h_psi:vloc : 159.89s CPU 161.35s WALL ( 6607 calls) h_psi:vnl : 13.18s CPU 13.12s WALL ( 6607 calls) add_vuspsi : 6.77s CPU 6.74s WALL ( 6607 calls) General routines calbec : 6.38s CPU 6.36s WALL ( 6607 calls) fft : 0.01s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 147.66s CPU 148.85s WALL ( 692952 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.18s WALL ( 576 calls) Parallel routines fft_scatter : 35.54s CPU 35.57s WALL ( 692975 calls) PWSCF : 4m19.02s CPU 4m36.32s WALL This run was terminated on: 19:30:51 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=