Program PWSCF v.5.3.0 (svn rev. 11974) starts on 27Jan2017 at 19:25:27 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: ./K4CdAs2.save/ file Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4D 4D renormalized file K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 3S 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 274 70 19 13750 1778 267 Max 275 71 20 13754 1799 270 Sum 9883 2539 717 495063 64421 9655 bravais-lattice index = 14 lattice parameter (alat) = 18.5736 a.u. unit-cell volume = 1814.9655 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 58.00 number of Kohn-Sham states= 70 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 639.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 18.573611 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= 0.826067 celldm(5)= 0.826067 celldm(6)= 0.826067 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.826067 0.563572 0.000000 ) a(3) = ( 0.826067 0.254946 0.502609 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.465771 -0.900054 ) b(2) = ( 0.000000 1.774397 -0.900054 ) b(3) = ( 0.000000 0.000000 1.989619 ) PseudoPot. # 1 for Cd read from file: /users/gautes/Pseudo/Cd.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 1d41bce1441572f114805845d9d822b0 Pseudo is Ultrasoft + core correction, Zval = 12.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1239 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 As read from file: /users/gautes/Pseudo/As.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 91883ac77fc8b4c49e33555c42516b17 Pseudo is Ultrasoft + core correction, Zval = 5.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1209 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for K read from file: /users/gautes/Pseudo/K.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3dd1b7807415f540a701f2a402ca1bb0 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1165 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 Cd 12.00 112.41100 Cd( 1.00) As 5.00 74.92160 As( 1.00) K 9.00 39.09830 K( 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= 217 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046083 k( 2) = ( 0.0156250 -0.0229027 -0.0140633), wk = 0.0046083 k( 3) = ( 0.0312500 -0.0458054 -0.0281267), wk = 0.0046083 k( 4) = ( 0.0468750 -0.0687080 -0.0421900), wk = 0.0046083 k( 5) = ( 0.0625000 -0.0916107 -0.0562534), wk = 0.0046083 k( 6) = ( 0.0781250 -0.1145134 -0.0703167), wk = 0.0046083 k( 7) = ( 0.0937500 -0.1374161 -0.0843800), wk = 0.0046083 k( 8) = ( 0.1093750 -0.1603187 -0.0984434), wk = 0.0046083 k( 9) = ( 0.1250000 -0.1832214 -0.1125067), wk = 0.0046083 k( 10) = ( 0.1406250 -0.2061241 -0.1265701), wk = 0.0046083 k( 11) = ( 0.1562500 -0.2290268 -0.1406334), wk = 0.0046083 k( 12) = ( 0.1718750 -0.2519294 -0.1546967), wk = 0.0046083 k( 13) = ( 0.1875000 -0.2748321 -0.1687601), wk = 0.0046083 k( 14) = ( 0.2031250 -0.2977348 -0.1828234), wk = 0.0046083 k( 15) = ( 0.2187500 -0.3206375 -0.1968868), wk = 0.0046083 k( 16) = ( 0.2343750 -0.3435401 -0.2109501), wk = 0.0046083 k( 17) = ( 0.2500000 -0.3664428 -0.2250134), wk = 0.0046083 k( 18) = ( 0.2656250 -0.3893455 -0.2390768), wk = 0.0046083 k( 19) = ( 0.2812500 -0.4122482 -0.2531401), wk = 0.0046083 k( 20) = ( 0.2968750 -0.4351508 -0.2672034), wk = 0.0046083 k( 21) = ( 0.3125000 -0.4580535 -0.2812668), wk = 0.0046083 k( 22) = ( 0.3281250 -0.4809562 -0.2953301), wk = 0.0046083 k( 23) = ( 0.3437500 -0.5038589 -0.3093935), wk = 0.0046083 k( 24) = ( 0.3593750 -0.5267615 -0.3234568), wk = 0.0046083 k( 25) = ( 0.3750000 -0.5496642 -0.3375201), wk = 0.0046083 k( 26) = ( 0.3906250 -0.5725669 -0.3515835), wk = 0.0046083 k( 27) = ( 0.4062500 -0.5954696 -0.3656468), wk = 0.0046083 k( 28) = ( 0.4218750 -0.6183722 -0.3797102), wk = 0.0046083 k( 29) = ( 0.4375000 -0.6412749 -0.3937735), wk = 0.0046083 k( 30) = ( 0.4531250 -0.6641776 -0.4078368), wk = 0.0046083 k( 31) = ( 0.4687500 -0.6870803 -0.4219002), wk = 0.0046083 k( 32) = ( 0.4843750 -0.7099829 -0.4359635), wk = 0.0046083 k( 33) = ( 0.5000000 -0.7328856 -0.4500269), wk = 0.0046083 k( 34) = ( 0.5000000 -0.7328856 -0.4500269), wk = 0.0046083 k( 35) = ( 0.5000000 -0.7169560 -0.4759689), wk = 0.0046083 k( 36) = ( 0.5000000 -0.7010263 -0.5019109), wk = 0.0046083 k( 37) = ( 0.5000000 -0.6850967 -0.5278529), wk = 0.0046083 k( 38) = ( 0.5000000 -0.6691670 -0.5537949), wk = 0.0046083 k( 39) = ( 0.5000000 -0.6532374 -0.5797370), wk = 0.0046083 k( 40) = ( 0.5000000 -0.6373078 -0.6056790), wk = 0.0046083 k( 41) = ( 0.5000000 -0.6213781 -0.6316210), wk = 0.0046083 k( 42) = ( 0.5000000 -0.6054485 -0.6575630), wk = 0.0046083 k( 43) = ( 0.5000000 -0.5895188 -0.6835050), wk = 0.0046083 k( 44) = ( 0.5000000 -0.5735892 -0.7094470), wk = 0.0046083 k( 45) = ( 0.5000000 -0.5576595 -0.7353891), wk = 0.0046083 k( 46) = ( 0.5000000 -0.5417299 -0.7613311), wk = 0.0046083 k( 47) = ( 0.5000000 -0.5258003 -0.7872731), wk = 0.0046083 k( 48) = ( 0.5000000 -0.5098706 -0.8132151), wk = 0.0046083 k( 49) = ( 0.5000000 -0.4939410 -0.8391571), wk = 0.0046083 k( 50) = ( 0.5000000 -0.4780113 -0.8650992), wk = 0.0046083 k( 51) = ( 0.5000000 -0.4620817 -0.8910412), wk = 0.0046083 k( 52) = ( 0.5000000 -0.4461520 -0.9169832), wk = 0.0046083 k( 53) = ( 0.5000000 -0.4302224 -0.9429252), wk = 0.0046083 k( 54) = ( 0.5000000 -0.4142928 -0.9688672), wk = 0.0046083 k( 55) = ( 0.5000000 -0.3983631 -0.9948093), wk = 0.0046083 k( 56) = ( 0.8114726 -0.3022346 -0.8052982), wk = 0.0046083 k( 57) = ( 0.8023116 -0.2888067 -0.7788260), wk = 0.0046083 k( 58) = ( 0.7931507 -0.2753789 -0.7523538), wk = 0.0046083 k( 59) = ( 0.7839897 -0.2619510 -0.7258817), wk = 0.0046083 k( 60) = ( 0.7748288 -0.2485231 -0.6994095), wk = 0.0046083 k( 61) = ( 0.7656678 -0.2350952 -0.6729373), wk = 0.0046083 k( 62) = ( 0.7565068 -0.2216674 -0.6464651), wk = 0.0046083 k( 63) = ( 0.7473459 -0.2082395 -0.6199930), wk = 0.0046083 k( 64) = ( 0.7381849 -0.1948116 -0.5935208), wk = 0.0046083 k( 65) = ( 0.7290240 -0.1813838 -0.5670487), wk = 0.0046083 k( 66) = ( 0.7198630 -0.1679559 -0.5405765), wk = 0.0046083 k( 67) = ( 0.7107020 -0.1545280 -0.5141043), wk = 0.0046083 k( 68) = ( 0.7015411 -0.1411002 -0.4876321), wk = 0.0046083 k( 69) = ( 0.6923801 -0.1276723 -0.4611600), wk = 0.0046083 k( 70) = ( 0.6832192 -0.1142444 -0.4346878), wk = 0.0046083 k( 71) = ( 0.6740582 -0.1008165 -0.4082156), wk = 0.0046083 k( 72) = ( 0.6648973 -0.0873887 -0.3817435), wk = 0.0046083 k( 73) = ( 0.6557363 -0.0739608 -0.3552713), wk = 0.0046083 k( 74) = ( 0.6465753 -0.0605329 -0.3287991), wk = 0.0046083 k( 75) = ( 0.6374144 -0.0471051 -0.3023270), wk = 0.0046083 k( 76) = ( 0.6282534 -0.0336772 -0.2758548), wk = 0.0046083 k( 77) = ( 0.6190925 -0.0202493 -0.2493826), wk = 0.0046083 k( 78) = ( 0.6099315 -0.0068215 -0.2229105), wk = 0.0046083 k( 79) = ( 0.6007706 0.0066064 -0.1964383), wk = 0.0046083 k( 80) = ( 0.5916096 0.0200343 -0.1699661), wk = 0.0046083 k( 81) = ( 0.5824486 0.0334621 -0.1434940), wk = 0.0046083 k( 82) = ( 0.5732877 0.0468900 -0.1170218), wk = 0.0046083 k( 83) = ( 0.5641267 0.0603179 -0.0905496), wk = 0.0046083 k( 84) = ( 0.5549658 0.0737458 -0.0640774), wk = 0.0046083 k( 85) = ( 0.5458048 0.0871736 -0.0376053), wk = 0.0046083 k( 86) = ( 0.5366438 0.1006015 -0.0111331), wk = 0.0046083 k( 87) = ( 0.5274829 0.1140294 0.0153390), wk = 0.0046083 k( 88) = ( 0.5183219 0.1274572 0.0418112), wk = 0.0046083 k( 89) = ( 0.5091610 0.1408851 0.0682834), wk = 0.0046083 k( 90) = ( 0.5000000 0.1543130 0.0947556), wk = 0.0046083 k( 91) = ( 0.5000000 0.1543130 0.0947556), wk = 0.0046083 k( 92) = ( 0.4705882 0.1452357 0.0891817), wk = 0.0046083 k( 93) = ( 0.4411765 0.1361585 0.0836078), wk = 0.0046083 k( 94) = ( 0.4117647 0.1270813 0.0780340), wk = 0.0046083 k( 95) = ( 0.3823529 0.1180040 0.0724601), wk = 0.0046083 k( 96) = ( 0.3529412 0.1089268 0.0668863), wk = 0.0046083 k( 97) = ( 0.3235294 0.0998496 0.0613124), wk = 0.0046083 k( 98) = ( 0.2941177 0.0907723 0.0557386), wk = 0.0046083 k( 99) = ( 0.2647059 0.0816951 0.0501647), wk = 0.0046083 k( 100) = ( 0.2352941 0.0726179 0.0445908), wk = 0.0046083 k( 101) = ( 0.2058823 0.0635406 0.0390170), wk = 0.0046083 k( 102) = ( 0.1764706 0.0544634 0.0334431), wk = 0.0046083 k( 103) = ( 0.1470588 0.0453862 0.0278693), wk = 0.0046083 k( 104) = ( 0.1176471 0.0363089 0.0222954), wk = 0.0046083 k( 105) = ( 0.0882353 0.0272317 0.0167216), wk = 0.0046083 k( 106) = ( 0.0588235 0.0181545 0.0111477), wk = 0.0046083 k( 107) = ( 0.0294118 0.0090772 0.0055739), wk = 0.0046083 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046083 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046083 k( 110) = ( 0.0090596 -0.0132793 -0.0261792), wk = 0.0046083 k( 111) = ( 0.0181191 -0.0265585 -0.0523584), wk = 0.0046083 k( 112) = ( 0.0271787 -0.0398378 -0.0785376), wk = 0.0046083 k( 113) = ( 0.0362383 -0.0531170 -0.1047168), wk = 0.0046083 k( 114) = ( 0.0452979 -0.0663963 -0.1308960), wk = 0.0046083 k( 115) = ( 0.0543574 -0.0796756 -0.1570752), wk = 0.0046083 k( 116) = ( 0.0634170 -0.0929548 -0.1832543), wk = 0.0046083 k( 117) = ( 0.0724766 -0.1062341 -0.2094335), wk = 0.0046083 k( 118) = ( 0.0815361 -0.1195133 -0.2356127), wk = 0.0046083 k( 119) = ( 0.0905957 -0.1327926 -0.2617919), wk = 0.0046083 k( 120) = ( 0.0996553 -0.1460718 -0.2879711), wk = 0.0046083 k( 121) = ( 0.1087149 -0.1593511 -0.3141503), wk = 0.0046083 k( 122) = ( 0.1177744 -0.1726304 -0.3403295), wk = 0.0046083 k( 123) = ( 0.1268340 -0.1859096 -0.3665087), wk = 0.0046083 k( 124) = ( 0.1358936 -0.1991889 -0.3926879), wk = 0.0046083 k( 125) = ( 0.1449531 -0.2124681 -0.4188671), wk = 0.0046083 k( 126) = ( 0.1540127 -0.2257474 -0.4450463), wk = 0.0046083 k( 127) = ( 0.1630723 -0.2390267 -0.4712254), wk = 0.0046083 k( 128) = ( 0.1721319 -0.2523059 -0.4974046), wk = 0.0046083 k( 129) = ( 0.1811914 -0.2655852 -0.5235838), wk = 0.0046083 k( 130) = ( 0.1902510 -0.2788644 -0.5497630), wk = 0.0046083 k( 131) = ( 0.1993106 -0.2921437 -0.5759422), wk = 0.0046083 k( 132) = ( 0.2083701 -0.3054230 -0.6021214), wk = 0.0046083 k( 133) = ( 0.2174297 -0.3187022 -0.6283006), wk = 0.0046083 k( 134) = ( 0.2264893 -0.3319815 -0.6544798), wk = 0.0046083 k( 135) = ( 0.2355489 -0.3452607 -0.6806590), wk = 0.0046083 k( 136) = ( 0.2446084 -0.3585400 -0.7068382), wk = 0.0046083 k( 137) = ( 0.2536680 -0.3718192 -0.7330174), wk = 0.0046083 k( 138) = ( 0.2627276 -0.3850985 -0.7591965), wk = 0.0046083 k( 139) = ( 0.2717871 -0.3983777 -0.7853757), wk = 0.0046083 k( 140) = ( 0.2808467 -0.4116570 -0.8115549), wk = 0.0046083 k( 141) = ( 0.2899063 -0.4249363 -0.8377341), wk = 0.0046083 k( 142) = ( 0.2989658 -0.4382155 -0.8639133), wk = 0.0046083 k( 143) = ( 0.3080254 -0.4514948 -0.8900925), wk = 0.0046083 k( 144) = ( 0.3170850 -0.4647740 -0.9162717), wk = 0.0046083 k( 145) = ( 0.3261446 -0.4780533 -0.9424509), wk = 0.0046083 k( 146) = ( 0.3352041 -0.4913326 -0.9686301), wk = 0.0046083 k( 147) = ( 0.3442637 -0.5046118 -0.9948093), wk = 0.0046083 k( 148) = ( 0.6557363 -0.3502989 -0.9000537), wk = 0.0046083 k( 149) = ( 0.6465753 -0.3206158 -0.9000537), wk = 0.0046083 k( 150) = ( 0.6374144 -0.2909328 -0.9000537), wk = 0.0046083 k( 151) = ( 0.6282534 -0.2612497 -0.9000537), wk = 0.0046083 k( 152) = ( 0.6190925 -0.2315667 -0.9000537), wk = 0.0046083 k( 153) = ( 0.6099315 -0.2018836 -0.9000537), wk = 0.0046083 k( 154) = ( 0.6007706 -0.1722006 -0.9000537), wk = 0.0046083 k( 155) = ( 0.5916096 -0.1425175 -0.9000537), wk = 0.0046083 k( 156) = ( 0.5824486 -0.1128345 -0.9000537), wk = 0.0046083 k( 157) = ( 0.5732877 -0.0831514 -0.9000537), wk = 0.0046083 k( 158) = ( 0.5641267 -0.0534684 -0.9000537), wk = 0.0046083 k( 159) = ( 0.5549658 -0.0237853 -0.9000537), wk = 0.0046083 k( 160) = ( 0.5458048 0.0058977 -0.9000537), wk = 0.0046083 k( 161) = ( 0.5366438 0.0355808 -0.9000537), wk = 0.0046083 k( 162) = ( 0.5274829 0.0652638 -0.9000537), wk = 0.0046083 k( 163) = ( 0.5183219 0.0949469 -0.9000537), wk = 0.0046083 k( 164) = ( 0.5091610 0.1246299 -0.9000537), wk = 0.0046083 k( 165) = ( 0.5000000 0.1543130 -0.9000537), wk = 0.0046083 k( 166) = ( 0.5000000 0.1543130 -0.9000537), wk = 0.0046083 k( 167) = ( 0.5222480 0.1611793 -0.8865172), wk = 0.0046083 k( 168) = ( 0.5444961 0.1680456 -0.8729807), wk = 0.0046083 k( 169) = ( 0.5667441 0.1749119 -0.8594442), wk = 0.0046083 k( 170) = ( 0.5889922 0.1817783 -0.8459077), wk = 0.0046083 k( 171) = ( 0.6112402 0.1886446 -0.8323712), wk = 0.0046083 k( 172) = ( 0.6334883 0.1955109 -0.8188347), wk = 0.0046083 k( 173) = ( 0.6557363 0.2023772 -0.8052982), wk = 0.0046083 k( 174) = ( 0.6557363 0.2023772 -0.8052982), wk = 0.0046083 k( 175) = ( 0.6505451 0.2007751 -0.7752964), wk = 0.0046083 k( 176) = ( 0.6453539 0.1991729 -0.7452946), wk = 0.0046083 k( 177) = ( 0.6401627 0.1975708 -0.7152928), wk = 0.0046083 k( 178) = ( 0.6349715 0.1959687 -0.6852910), wk = 0.0046083 k( 179) = ( 0.6297803 0.1943665 -0.6552892), wk = 0.0046083 k( 180) = ( 0.6245890 0.1927644 -0.6252874), wk = 0.0046083 k( 181) = ( 0.6193978 0.1911622 -0.5952856), wk = 0.0046083 k( 182) = ( 0.6142066 0.1895601 -0.5652838), wk = 0.0046083 k( 183) = ( 0.6090154 0.1879580 -0.5352821), wk = 0.0046083 k( 184) = ( 0.6038242 0.1863558 -0.5052803), wk = 0.0046083 k( 185) = ( 0.5986330 0.1847537 -0.4752785), wk = 0.0046083 k( 186) = ( 0.5934418 0.1831515 -0.4452767), wk = 0.0046083 k( 187) = ( 0.5882506 0.1815494 -0.4152749), wk = 0.0046083 k( 188) = ( 0.5830594 0.1799472 -0.3852731), wk = 0.0046083 k( 189) = ( 0.5778682 0.1783451 -0.3552713), wk = 0.0046083 k( 190) = ( 0.5726769 0.1767430 -0.3252695), wk = 0.0046083 k( 191) = ( 0.5674857 0.1751408 -0.2952677), wk = 0.0046083 k( 192) = ( 0.5622945 0.1735387 -0.2652659), wk = 0.0046083 k( 193) = ( 0.5571033 0.1719365 -0.2352641), wk = 0.0046083 k( 194) = ( 0.5519121 0.1703344 -0.2052624), wk = 0.0046083 k( 195) = ( 0.5467209 0.1687322 -0.1752606), wk = 0.0046083 k( 196) = ( 0.5415297 0.1671301 -0.1452588), wk = 0.0046083 k( 197) = ( 0.5363385 0.1655280 -0.1152570), wk = 0.0046083 k( 198) = ( 0.5311473 0.1639258 -0.0852552), wk = 0.0046083 k( 199) = ( 0.5259561 0.1623237 -0.0552534), wk = 0.0046083 k( 200) = ( 0.5207648 0.1607215 -0.0252516), wk = 0.0046083 k( 201) = ( 0.5155736 0.1591194 0.0047502), wk = 0.0046083 k( 202) = ( 0.5103824 0.1575173 0.0347520), wk = 0.0046083 k( 203) = ( 0.5051912 0.1559151 0.0647538), wk = 0.0046083 k( 204) = ( 0.5000000 0.1543130 0.0947556), wk = 0.0046083 k( 205) = ( 0.5000000 -0.7328856 -0.4500269), wk = 0.0046083 k( 206) = ( 0.5259561 -0.7200262 -0.4421306), wk = 0.0046083 k( 207) = ( 0.5519121 -0.7071668 -0.4342343), wk = 0.0046083 k( 208) = ( 0.5778682 -0.6943074 -0.4263380), wk = 0.0046083 k( 209) = ( 0.6038242 -0.6814479 -0.4184417), wk = 0.0046083 k( 210) = ( 0.6297803 -0.6685885 -0.4105454), wk = 0.0046083 k( 211) = ( 0.6557363 -0.6557291 -0.4026491), wk = 0.0046083 k( 212) = ( 0.6816923 -0.6428697 -0.3947528), wk = 0.0046083 k( 213) = ( 0.7076484 -0.6300103 -0.3868565), wk = 0.0046083 k( 214) = ( 0.7336044 -0.6171509 -0.3789602), wk = 0.0046083 k( 215) = ( 0.7595605 -0.6042915 -0.3710639), wk = 0.0046083 k( 216) = ( 0.7855165 -0.5914321 -0.3631676), wk = 0.0046083 k( 217) = ( 0.8114726 -0.5785726 -0.3552713), wk = 0.0046083 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046083 k( 2) = ( 0.0156250 0.0000000 0.0000000), wk = 0.0046083 k( 3) = ( 0.0312500 0.0000000 0.0000000), wk = 0.0046083 k( 4) = ( 0.0468750 0.0000000 0.0000000), wk = 0.0046083 k( 5) = ( 0.0625000 0.0000000 0.0000000), wk = 0.0046083 k( 6) = ( 0.0781250 0.0000000 -0.0000000), wk = 0.0046083 k( 7) = ( 0.0937500 0.0000000 0.0000000), wk = 0.0046083 k( 8) = ( 0.1093750 -0.0000000 0.0000000), wk = 0.0046083 k( 9) = ( 0.1250000 0.0000000 0.0000000), wk = 0.0046083 k( 10) = ( 0.1406250 0.0000000 0.0000000), wk = 0.0046083 k( 11) = ( 0.1562500 0.0000000 -0.0000000), wk = 0.0046083 k( 12) = ( 0.1718750 -0.0000000 -0.0000000), wk = 0.0046083 k( 13) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0046083 k( 14) = ( 0.2031250 0.0000000 0.0000000), wk = 0.0046083 k( 15) = ( 0.2187500 -0.0000000 0.0000000), wk = 0.0046083 k( 16) = ( 0.2343750 -0.0000000 -0.0000000), wk = 0.0046083 k( 17) = ( 0.2500000 0.0000000 0.0000000), wk = 0.0046083 k( 18) = ( 0.2656250 0.0000000 0.0000000), wk = 0.0046083 k( 19) = ( 0.2812500 0.0000000 0.0000000), wk = 0.0046083 k( 20) = ( 0.2968750 0.0000000 -0.0000000), wk = 0.0046083 k( 21) = ( 0.3125000 0.0000000 -0.0000000), wk = 0.0046083 k( 22) = ( 0.3281250 0.0000000 -0.0000000), wk = 0.0046083 k( 23) = ( 0.3437500 -0.0000000 -0.0000000), wk = 0.0046083 k( 24) = ( 0.3593750 0.0000000 0.0000000), wk = 0.0046083 k( 25) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0046083 k( 26) = ( 0.3906250 0.0000000 -0.0000000), wk = 0.0046083 k( 27) = ( 0.4062500 0.0000000 0.0000000), wk = 0.0046083 k( 28) = ( 0.4218750 0.0000000 0.0000000), wk = 0.0046083 k( 29) = ( 0.4375000 -0.0000000 0.0000000), wk = 0.0046083 k( 30) = ( 0.4531250 0.0000000 0.0000000), wk = 0.0046083 k( 31) = ( 0.4687500 -0.0000000 -0.0000000), wk = 0.0046083 k( 32) = ( 0.4843750 0.0000000 0.0000000), wk = 0.0046083 k( 33) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0046083 k( 34) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0046083 k( 35) = ( 0.5000000 0.0089775 -0.0089775), wk = 0.0046083 k( 36) = ( 0.5000000 0.0179550 -0.0179550), wk = 0.0046083 k( 37) = ( 0.5000000 0.0269325 -0.0269325), wk = 0.0046083 k( 38) = ( 0.5000000 0.0359100 -0.0359100), wk = 0.0046083 k( 39) = ( 0.5000000 0.0448875 -0.0448875), wk = 0.0046083 k( 40) = ( 0.5000000 0.0538650 -0.0538650), wk = 0.0046083 k( 41) = ( 0.5000000 0.0628425 -0.0628425), wk = 0.0046083 k( 42) = ( 0.5000000 0.0718200 -0.0718200), wk = 0.0046083 k( 43) = ( 0.5000000 0.0807975 -0.0807975), wk = 0.0046083 k( 44) = ( 0.5000000 0.0897750 -0.0897750), wk = 0.0046083 k( 45) = ( 0.5000000 0.0987524 -0.0987524), wk = 0.0046083 k( 46) = ( 0.5000000 0.1077300 -0.1077300), wk = 0.0046083 k( 47) = ( 0.5000000 0.1167074 -0.1167074), wk = 0.0046083 k( 48) = ( 0.5000000 0.1256849 -0.1256849), wk = 0.0046083 k( 49) = ( 0.5000000 0.1346624 -0.1346624), wk = 0.0046083 k( 50) = ( 0.5000000 0.1436399 -0.1436399), wk = 0.0046083 k( 51) = ( 0.5000000 0.1526174 -0.1526174), wk = 0.0046083 k( 52) = ( 0.5000000 0.1615949 -0.1615949), wk = 0.0046083 k( 53) = ( 0.5000000 0.1705724 -0.1705724), wk = 0.0046083 k( 54) = ( 0.5000000 0.1795499 -0.1795499), wk = 0.0046083 k( 55) = ( 0.5000000 0.1885274 -0.1885274), wk = 0.0046083 k( 56) = ( 0.8114726 0.5000000 0.1885274), wk = 0.0046083 k( 57) = ( 0.8023116 0.5000000 0.1976884), wk = 0.0046083 k( 58) = ( 0.7931507 0.5000000 0.2068493), wk = 0.0046083 k( 59) = ( 0.7839897 0.5000000 0.2160103), wk = 0.0046083 k( 60) = ( 0.7748288 0.5000000 0.2251712), wk = 0.0046083 k( 61) = ( 0.7656678 0.5000000 0.2343322), wk = 0.0046083 k( 62) = ( 0.7565068 0.5000000 0.2434932), wk = 0.0046083 k( 63) = ( 0.7473459 0.5000000 0.2526541), wk = 0.0046083 k( 64) = ( 0.7381849 0.5000000 0.2618151), wk = 0.0046083 k( 65) = ( 0.7290240 0.5000000 0.2709760), wk = 0.0046083 k( 66) = ( 0.7198630 0.5000000 0.2801370), wk = 0.0046083 k( 67) = ( 0.7107020 0.5000000 0.2892980), wk = 0.0046083 k( 68) = ( 0.7015411 0.5000000 0.2984589), wk = 0.0046083 k( 69) = ( 0.6923801 0.5000000 0.3076199), wk = 0.0046083 k( 70) = ( 0.6832192 0.5000000 0.3167808), wk = 0.0046083 k( 71) = ( 0.6740582 0.5000000 0.3259418), wk = 0.0046083 k( 72) = ( 0.6648973 0.5000000 0.3351027), wk = 0.0046083 k( 73) = ( 0.6557363 0.5000000 0.3442637), wk = 0.0046083 k( 74) = ( 0.6465753 0.5000000 0.3534247), wk = 0.0046083 k( 75) = ( 0.6374144 0.5000000 0.3625856), wk = 0.0046083 k( 76) = ( 0.6282534 0.5000000 0.3717466), wk = 0.0046083 k( 77) = ( 0.6190925 0.5000000 0.3809075), wk = 0.0046083 k( 78) = ( 0.6099315 0.5000000 0.3900685), wk = 0.0046083 k( 79) = ( 0.6007706 0.5000000 0.3992294), wk = 0.0046083 k( 80) = ( 0.5916096 0.5000000 0.4083904), wk = 0.0046083 k( 81) = ( 0.5824486 0.5000000 0.4175514), wk = 0.0046083 k( 82) = ( 0.5732877 0.5000000 0.4267123), wk = 0.0046083 k( 83) = ( 0.5641267 0.5000000 0.4358733), wk = 0.0046083 k( 84) = ( 0.5549658 0.5000000 0.4450343), wk = 0.0046083 k( 85) = ( 0.5458048 0.5000000 0.4541952), wk = 0.0046083 k( 86) = ( 0.5366438 0.5000000 0.4633562), wk = 0.0046083 k( 87) = ( 0.5274829 0.5000000 0.4725171), wk = 0.0046083 k( 88) = ( 0.5183219 0.5000000 0.4816781), wk = 0.0046083 k( 89) = ( 0.5091610 0.5000000 0.4908390), wk = 0.0046083 k( 90) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046083 k( 91) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046083 k( 92) = ( 0.4705882 0.4705882 0.4705882), wk = 0.0046083 k( 93) = ( 0.4411765 0.4411765 0.4411765), wk = 0.0046083 k( 94) = ( 0.4117647 0.4117647 0.4117647), wk = 0.0046083 k( 95) = ( 0.3823529 0.3823529 0.3823529), wk = 0.0046083 k( 96) = ( 0.3529412 0.3529412 0.3529412), wk = 0.0046083 k( 97) = ( 0.3235294 0.3235294 0.3235294), wk = 0.0046083 k( 98) = ( 0.2941177 0.2941176 0.2941177), wk = 0.0046083 k( 99) = ( 0.2647059 0.2647059 0.2647059), wk = 0.0046083 k( 100) = ( 0.2352941 0.2352941 0.2352941), wk = 0.0046083 k( 101) = ( 0.2058823 0.2058823 0.2058823), wk = 0.0046083 k( 102) = ( 0.1764706 0.1764706 0.1764706), wk = 0.0046083 k( 103) = ( 0.1470588 0.1470588 0.1470588), wk = 0.0046083 k( 104) = ( 0.1176471 0.1176471 0.1176471), wk = 0.0046083 k( 105) = ( 0.0882353 0.0882353 0.0882353), wk = 0.0046083 k( 106) = ( 0.0588235 0.0588235 0.0588235), wk = 0.0046083 k( 107) = ( 0.0294118 0.0294118 0.0294118), wk = 0.0046083 k( 108) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046083 k( 109) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0046083 k( 110) = ( 0.0090596 0.0000000 -0.0090596), wk = 0.0046083 k( 111) = ( 0.0181191 0.0000000 -0.0181191), wk = 0.0046083 k( 112) = ( 0.0271787 -0.0000000 -0.0271787), wk = 0.0046083 k( 113) = ( 0.0362383 0.0000000 -0.0362383), wk = 0.0046083 k( 114) = ( 0.0452979 0.0000000 -0.0452979), wk = 0.0046083 k( 115) = ( 0.0543574 0.0000000 -0.0543574), wk = 0.0046083 k( 116) = ( 0.0634170 0.0000000 -0.0634170), wk = 0.0046083 k( 117) = ( 0.0724766 0.0000000 -0.0724766), wk = 0.0046083 k( 118) = ( 0.0815361 0.0000000 -0.0815361), wk = 0.0046083 k( 119) = ( 0.0905957 0.0000000 -0.0905957), wk = 0.0046083 k( 120) = ( 0.0996553 0.0000000 -0.0996553), wk = 0.0046083 k( 121) = ( 0.1087149 0.0000000 -0.1087149), wk = 0.0046083 k( 122) = ( 0.1177744 0.0000000 -0.1177744), wk = 0.0046083 k( 123) = ( 0.1268340 0.0000000 -0.1268340), wk = 0.0046083 k( 124) = ( 0.1358936 0.0000000 -0.1358936), wk = 0.0046083 k( 125) = ( 0.1449531 0.0000000 -0.1449531), wk = 0.0046083 k( 126) = ( 0.1540127 0.0000000 -0.1540127), wk = 0.0046083 k( 127) = ( 0.1630723 0.0000000 -0.1630723), wk = 0.0046083 k( 128) = ( 0.1721319 0.0000000 -0.1721318), wk = 0.0046083 k( 129) = ( 0.1811914 0.0000000 -0.1811914), wk = 0.0046083 k( 130) = ( 0.1902510 0.0000000 -0.1902510), wk = 0.0046083 k( 131) = ( 0.1993106 0.0000000 -0.1993106), wk = 0.0046083 k( 132) = ( 0.2083701 0.0000000 -0.2083701), wk = 0.0046083 k( 133) = ( 0.2174297 0.0000000 -0.2174297), wk = 0.0046083 k( 134) = ( 0.2264893 0.0000000 -0.2264893), wk = 0.0046083 k( 135) = ( 0.2355489 0.0000000 -0.2355489), wk = 0.0046083 k( 136) = ( 0.2446084 0.0000000 -0.2446084), wk = 0.0046083 k( 137) = ( 0.2536680 0.0000000 -0.2536680), wk = 0.0046083 k( 138) = ( 0.2627276 0.0000000 -0.2627276), wk = 0.0046083 k( 139) = ( 0.2717871 0.0000000 -0.2717871), wk = 0.0046083 k( 140) = ( 0.2808467 0.0000000 -0.2808467), wk = 0.0046083 k( 141) = ( 0.2899063 0.0000000 -0.2899063), wk = 0.0046083 k( 142) = ( 0.2989658 0.0000000 -0.2989658), wk = 0.0046083 k( 143) = ( 0.3080254 0.0000000 -0.3080254), wk = 0.0046083 k( 144) = ( 0.3170850 0.0000000 -0.3170850), wk = 0.0046083 k( 145) = ( 0.3261446 0.0000000 -0.3261446), wk = 0.0046083 k( 146) = ( 0.3352041 0.0000000 -0.3352041), wk = 0.0046083 k( 147) = ( 0.3442637 0.0000000 -0.3442637), wk = 0.0046083 k( 148) = ( 0.6557363 0.3442637 0.0000000), wk = 0.0046083 k( 149) = ( 0.6465753 0.3534247 0.0000000), wk = 0.0046083 k( 150) = ( 0.6374144 0.3625856 -0.0000000), wk = 0.0046083 k( 151) = ( 0.6282534 0.3717466 -0.0000000), wk = 0.0046083 k( 152) = ( 0.6190925 0.3809075 -0.0000000), wk = 0.0046083 k( 153) = ( 0.6099315 0.3900685 -0.0000000), wk = 0.0046083 k( 154) = ( 0.6007706 0.3992294 0.0000000), wk = 0.0046083 k( 155) = ( 0.5916096 0.4083904 0.0000000), wk = 0.0046083 k( 156) = ( 0.5824486 0.4175514 0.0000000), wk = 0.0046083 k( 157) = ( 0.5732877 0.4267123 0.0000000), wk = 0.0046083 k( 158) = ( 0.5641267 0.4358733 -0.0000000), wk = 0.0046083 k( 159) = ( 0.5549658 0.4450343 -0.0000000), wk = 0.0046083 k( 160) = ( 0.5458048 0.4541952 -0.0000000), wk = 0.0046083 k( 161) = ( 0.5366438 0.4633562 -0.0000000), wk = 0.0046083 k( 162) = ( 0.5274829 0.4725171 0.0000000), wk = 0.0046083 k( 163) = ( 0.5183219 0.4816781 0.0000000), wk = 0.0046083 k( 164) = ( 0.5091610 0.4908390 -0.0000000), wk = 0.0046083 k( 165) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0046083 k( 166) = ( 0.5000000 0.5000000 -0.0000000), wk = 0.0046083 k( 167) = ( 0.5222480 0.5222480 0.0269325), wk = 0.0046083 k( 168) = ( 0.5444961 0.5444961 0.0538650), wk = 0.0046083 k( 169) = ( 0.5667441 0.5667441 0.0807975), wk = 0.0046083 k( 170) = ( 0.5889922 0.5889922 0.1077300), wk = 0.0046083 k( 171) = ( 0.6112402 0.6112402 0.1346624), wk = 0.0046083 k( 172) = ( 0.6334883 0.6334883 0.1615949), wk = 0.0046083 k( 173) = ( 0.6557363 0.6557363 0.1885274), wk = 0.0046083 k( 174) = ( 0.6557363 0.6557363 0.1885274), wk = 0.0046083 k( 175) = ( 0.6505451 0.6505451 0.1989098), wk = 0.0046083 k( 176) = ( 0.6453539 0.6453539 0.2092922), wk = 0.0046083 k( 177) = ( 0.6401627 0.6401627 0.2196747), wk = 0.0046083 k( 178) = ( 0.6349715 0.6349715 0.2300571), wk = 0.0046083 k( 179) = ( 0.6297803 0.6297802 0.2404395), wk = 0.0046083 k( 180) = ( 0.6245890 0.6245890 0.2508219), wk = 0.0046083 k( 181) = ( 0.6193978 0.6193978 0.2612043), wk = 0.0046083 k( 182) = ( 0.6142066 0.6142066 0.2715868), wk = 0.0046083 k( 183) = ( 0.6090154 0.6090154 0.2819692), wk = 0.0046083 k( 184) = ( 0.6038242 0.6038242 0.2923516), wk = 0.0046083 k( 185) = ( 0.5986330 0.5986330 0.3027340), wk = 0.0046083 k( 186) = ( 0.5934418 0.5934418 0.3131164), wk = 0.0046083 k( 187) = ( 0.5882506 0.5882506 0.3234989), wk = 0.0046083 k( 188) = ( 0.5830594 0.5830594 0.3338813), wk = 0.0046083 k( 189) = ( 0.5778682 0.5778682 0.3442637), wk = 0.0046083 k( 190) = ( 0.5726769 0.5726769 0.3546461), wk = 0.0046083 k( 191) = ( 0.5674857 0.5674857 0.3650285), wk = 0.0046083 k( 192) = ( 0.5622945 0.5622945 0.3754110), wk = 0.0046083 k( 193) = ( 0.5571033 0.5571033 0.3857934), wk = 0.0046083 k( 194) = ( 0.5519121 0.5519121 0.3961758), wk = 0.0046083 k( 195) = ( 0.5467209 0.5467209 0.4065582), wk = 0.0046083 k( 196) = ( 0.5415297 0.5415297 0.4169406), wk = 0.0046083 k( 197) = ( 0.5363385 0.5363385 0.4273231), wk = 0.0046083 k( 198) = ( 0.5311473 0.5311473 0.4377055), wk = 0.0046083 k( 199) = ( 0.5259561 0.5259561 0.4480879), wk = 0.0046083 k( 200) = ( 0.5207648 0.5207648 0.4584703), wk = 0.0046083 k( 201) = ( 0.5155736 0.5155736 0.4688527), wk = 0.0046083 k( 202) = ( 0.5103824 0.5103824 0.4792352), wk = 0.0046083 k( 203) = ( 0.5051912 0.5051912 0.4896176), wk = 0.0046083 k( 204) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0046083 k( 205) = ( 0.5000000 0.0000000 0.0000000), wk = 0.0046083 k( 206) = ( 0.5259561 0.0286886 0.0286886), wk = 0.0046083 k( 207) = ( 0.5519121 0.0573773 0.0573773), wk = 0.0046083 k( 208) = ( 0.5778682 0.0860659 0.0860659), wk = 0.0046083 k( 209) = ( 0.6038242 0.1147546 0.1147546), wk = 0.0046083 k( 210) = ( 0.6297803 0.1434432 0.1434432), wk = 0.0046083 k( 211) = ( 0.6557363 0.1721319 0.1721319), wk = 0.0046083 k( 212) = ( 0.6816923 0.2008205 0.2008205), wk = 0.0046083 k( 213) = ( 0.7076484 0.2295091 0.2295091), wk = 0.0046083 k( 214) = ( 0.7336044 0.2581978 0.2581978), wk = 0.0046083 k( 215) = ( 0.7595605 0.2868864 0.2868864), wk = 0.0046083 k( 216) = ( 0.7855165 0.3155751 0.3155751), wk = 0.0046083 k( 217) = ( 0.8114726 0.3442637 0.3442637), wk = 0.0046083 Dense grid: 495063 G-vectors FFT dimensions: ( 150, 150, 150) Smooth grid: 64421 G-vectors FFT dimensions: ( 75, 75, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.49 Mb ( 462, 70) NL pseudopotentials 0.70 Mb ( 231, 198) Each V/rho on FFT grid 1.72 Mb ( 112500) Each G-vector array 0.10 Mb ( 13751) G-vector shells 0.08 Mb ( 10945) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.97 Mb ( 462, 280) Each subspace H/S matrix 0.07 Mb ( 70, 70) Each matrix 0.42 Mb ( 198, 2, 70) The potential is recalculated from file : ./K4CdAs2.save/charge-density.dat Starting wfc are 98 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 7.5 secs Computing kpt #: 2 total cpu time spent up to now is 10.8 secs Computing kpt #: 3 total cpu time spent up to now is 14.1 secs Computing kpt #: 4 total cpu time spent up to now is 17.3 secs Computing kpt #: 5 total cpu time spent up to now is 20.6 secs Computing kpt #: 6 total cpu time spent up to now is 24.6 secs Computing kpt #: 7 total cpu time spent up to now is 27.9 secs Computing kpt #: 8 total cpu time spent up to now is 31.3 secs Computing kpt #: 9 total cpu time spent up to now is 34.6 secs Computing kpt #: 10 total cpu time spent up to now is 37.9 secs Computing kpt #: 11 total cpu time spent up to now is 41.1 secs Computing kpt #: 12 total cpu time spent up to now is 44.4 secs Computing kpt #: 13 total cpu time spent up to now is 47.7 secs Computing kpt #: 14 total cpu time spent up to now is 50.9 secs Computing kpt #: 15 total cpu time spent up to now is 54.1 secs Computing kpt #: 16 total cpu time spent up to now is 57.4 secs Computing kpt #: 17 total cpu time spent up to now is 60.6 secs Computing kpt #: 18 total cpu time spent up to now is 63.4 secs Computing kpt #: 19 total cpu time spent up to now is 66.7 secs Computing kpt #: 20 total cpu time spent up to now is 69.5 secs Computing kpt #: 21 total cpu time spent up to now is 72.7 secs Computing kpt #: 22 total cpu time spent up to now is 75.9 secs Computing kpt #: 23 total cpu time spent up to now is 79.2 secs Computing kpt #: 24 total cpu time spent up to now is 82.4 secs Computing kpt #: 25 total cpu time spent up to now is 85.6 secs Computing kpt #: 26 total cpu time spent up to now is 88.8 secs Computing kpt #: 27 total cpu time spent up to now is 92.0 secs Computing kpt #: 28 total cpu time spent up to now is 95.2 secs Computing kpt #: 29 total cpu time spent up to now is 98.4 secs Computing kpt #: 30 total cpu time spent up to now is 101.2 secs Computing kpt #: 31 total cpu time spent up to now is 104.4 secs Computing kpt #: 32 total cpu time spent up to now is 107.6 secs Computing kpt #: 33 total cpu time spent up to now is 110.8 secs Computing kpt #: 34 total cpu time spent up to now is 114.1 secs Computing kpt #: 35 total cpu time spent up to now is 117.3 secs Computing kpt #: 36 total cpu time spent up to now is 120.5 secs Computing kpt #: 37 total cpu time spent up to now is 123.8 secs Computing kpt #: 38 total cpu time spent up to now is 126.5 secs Computing kpt #: 39 total cpu time spent up to now is 129.3 secs Computing kpt #: 40 total cpu time spent up to now is 132.5 secs Computing kpt #: 41 total cpu time spent up to now is 135.7 secs Computing kpt #: 42 total cpu time spent up to now is 139.7 secs Computing kpt #: 43 total cpu time spent up to now is 142.9 secs Computing kpt #: 44 total cpu time spent up to now is 146.1 secs Computing kpt #: 45 total cpu time spent up to now is 149.3 secs Computing kpt #: 46 total cpu time spent up to now is 152.5 secs Computing kpt #: 47 total cpu time spent up to now is 155.7 secs Computing kpt #: 48 total cpu time spent up to now is 158.9 secs Computing kpt #: 49 total cpu time spent up to now is 162.1 secs Computing kpt #: 50 total cpu time spent up to now is 165.3 secs Computing kpt #: 51 total cpu time spent up to now is 168.5 secs Computing kpt #: 52 total cpu time spent up to now is 171.8 secs Computing kpt #: 53 total cpu time spent up to now is 175.0 secs Computing kpt #: 54 total cpu time spent up to now is 178.2 secs Computing kpt #: 55 total cpu time spent up to now is 181.4 secs Computing kpt #: 56 total cpu time spent up to now is 184.6 secs Computing kpt #: 57 total cpu time spent up to now is 187.8 secs Computing kpt #: 58 total cpu time spent up to now is 190.6 secs Computing kpt #: 59 total cpu time spent up to now is 193.3 secs Computing kpt #: 60 total cpu time spent up to now is 196.1 secs Computing kpt #: 61 total cpu time spent up to now is 199.2 secs Computing kpt #: 62 total cpu time spent up to now is 202.0 secs Computing kpt #: 63 total cpu time spent up to now is 204.8 secs Computing kpt #: 64 total cpu time spent up to now is 207.5 secs Computing kpt #: 65 total cpu time spent up to now is 210.3 secs Computing kpt #: 66 total cpu time spent up to now is 213.0 secs Computing kpt #: 67 total cpu time spent up to now is 215.8 secs Computing kpt #: 68 total cpu time spent up to now is 218.5 secs Computing kpt #: 69 total cpu time spent up to now is 221.3 secs Computing kpt #: 70 total cpu time spent up to now is 224.0 secs Computing kpt #: 71 total cpu time spent up to now is 226.8 secs Computing kpt #: 72 total cpu time spent up to now is 229.5 secs Computing kpt #: 73 total cpu time spent up to now is 232.3 secs Computing kpt #: 74 total cpu time spent up to now is 235.0 secs Computing kpt #: 75 total cpu time spent up to now is 237.7 secs Computing kpt #: 76 total cpu time spent up to now is 240.9 secs Computing kpt #: 77 total cpu time spent up to now is 243.6 secs Computing kpt #: 78 total cpu time spent up to now is 246.3 secs Computing kpt #: 79 total cpu time spent up to now is 249.0 secs Computing kpt #: 80 total cpu time spent up to now is 251.7 secs Computing kpt #: 81 total cpu time spent up to now is 254.5 secs Computing kpt #: 82 total cpu time spent up to now is 257.2 secs Computing kpt #: 83 total cpu time spent up to now is 259.9 secs Computing kpt #: 84 total cpu time spent up to now is 262.7 secs Computing kpt #: 85 total cpu time spent up to now is 265.4 secs Computing kpt #: 86 total cpu time spent up to now is 268.6 secs Computing kpt #: 87 total cpu time spent up to now is 271.8 secs Computing kpt #: 88 total cpu time spent up to now is 275.0 secs Computing kpt #: 89 total cpu time spent up to now is 278.2 secs Computing kpt #: 90 total cpu time spent up to now is 281.3 secs Computing kpt #: 91 total cpu time spent up to now is 284.5 secs Computing kpt #: 92 total cpu time spent up to now is 287.7 secs Computing kpt #: 93 total cpu time spent up to now is 290.9 secs Computing kpt #: 94 total cpu time spent up to now is 294.1 secs Computing kpt #: 95 total cpu time spent up to now is 297.3 secs Computing kpt #: 96 total cpu time spent up to now is 300.5 secs Computing kpt #: 97 total cpu time spent up to now is 303.7 secs Computing kpt #: 98 total cpu time spent up to now is 306.9 secs Computing kpt #: 99 total cpu time spent up to now is 310.1 secs Computing kpt #: 100 total cpu time spent up to now is 313.3 secs Computing kpt #: 101 total cpu time spent up to now is 316.5 secs Computing kpt #: 102 total cpu time spent up to now is 319.7 secs Computing kpt #: 103 total cpu time spent up to now is 322.9 secs Computing kpt #: 104 total cpu time spent up to now is 326.1 secs Computing kpt #: 105 total cpu time spent up to now is 329.3 secs Computing kpt #: 106 total cpu time spent up to now is 332.6 secs Computing kpt #: 107 total cpu time spent up to now is 335.8 secs Computing kpt #: 108 total cpu time spent up to now is 339.0 secs Computing kpt #: 109 total cpu time spent up to now is 342.2 secs Computing kpt #: 110 total cpu time spent up to now is 345.5 secs Computing kpt #: 111 total cpu time spent up to now is 348.7 secs Computing kpt #: 112 total cpu time spent up to now is 351.9 secs Computing kpt #: 113 total cpu time spent up to now is 355.3 secs Computing kpt #: 114 total cpu time spent up to now is 358.6 secs Computing kpt #: 115 total cpu time spent up to now is 362.0 secs Computing kpt #: 116 total cpu time spent up to now is 365.3 secs Computing kpt #: 117 total cpu time spent up to now is 368.7 secs Computing kpt #: 118 total cpu time spent up to now is 372.0 secs Computing kpt #: 119 total cpu time spent up to now is 375.3 secs Computing kpt #: 120 total cpu time spent up to now is 378.6 secs Computing kpt #: 121 total cpu time spent up to now is 382.0 secs Computing kpt #: 122 total cpu time spent up to now is 385.3 secs Computing kpt #: 123 total cpu time spent up to now is 388.6 secs Computing kpt #: 124 total cpu time spent up to now is 392.0 secs Computing kpt #: 125 total cpu time spent up to now is 395.3 secs Computing kpt #: 126 total cpu time spent up to now is 398.6 secs Computing kpt #: 127 total cpu time spent up to now is 401.9 secs Computing kpt #: 128 total cpu time spent up to now is 405.2 secs Computing kpt #: 129 total cpu time spent up to now is 408.5 secs Computing kpt #: 130 total cpu time spent up to now is 411.9 secs Computing kpt #: 131 total cpu time spent up to now is 415.9 secs Computing kpt #: 132 total cpu time spent up to now is 419.4 secs Computing kpt #: 133 total cpu time spent up to now is 422.9 secs Computing kpt #: 134 total cpu time spent up to now is 426.9 secs Computing kpt #: 135 total cpu time spent up to now is 430.3 secs Computing kpt #: 136 total cpu time spent up to now is 433.9 secs Computing kpt #: 137 total cpu time spent up to now is 437.3 secs Computing kpt #: 138 total cpu time spent up to now is 440.6 secs Computing kpt #: 139 total cpu time spent up to now is 444.0 secs Computing kpt #: 140 total cpu time spent up to now is 447.2 secs Computing kpt #: 141 total cpu time spent up to now is 450.5 secs Computing kpt #: 142 total cpu time spent up to now is 453.8 secs Computing kpt #: 143 total cpu time spent up to now is 457.0 secs Computing kpt #: 144 total cpu time spent up to now is 460.3 secs Computing kpt #: 145 total cpu time spent up to now is 463.5 secs Computing kpt #: 146 total cpu time spent up to now is 466.7 secs Computing kpt #: 147 total cpu time spent up to now is 470.0 secs Computing kpt #: 148 total cpu time spent up to now is 473.2 secs Computing kpt #: 149 total cpu time spent up to now is 476.4 secs Computing kpt #: 150 total cpu time spent up to now is 479.6 secs Computing kpt #: 151 total cpu time spent up to now is 482.3 secs Computing kpt #: 152 total cpu time spent up to now is 485.5 secs Computing kpt #: 153 total cpu time spent up to now is 488.3 secs Computing kpt #: 154 total cpu time spent up to now is 491.0 secs Computing kpt #: 155 total cpu time spent up to now is 493.8 secs Computing kpt #: 156 total cpu time spent up to now is 496.5 secs Computing kpt #: 157 total cpu time spent up to now is 499.3 secs Computing kpt #: 158 total cpu time spent up to now is 502.0 secs Computing kpt #: 159 total cpu time spent up to now is 504.7 secs Computing kpt #: 160 total cpu time spent up to now is 507.4 secs Computing kpt #: 161 total cpu time spent up to now is 510.2 secs Computing kpt #: 162 total cpu time spent up to now is 512.8 secs Computing kpt #: 163 total cpu time spent up to now is 515.5 secs Computing kpt #: 164 total cpu time spent up to now is 518.2 secs Computing kpt #: 165 total cpu time spent up to now is 520.9 secs Computing kpt #: 166 total cpu time spent up to now is 523.6 secs Computing kpt #: 167 total cpu time spent up to now is 526.3 secs Computing kpt #: 168 total cpu time spent up to now is 529.0 secs Computing kpt #: 169 total cpu time spent up to now is 531.7 secs Computing kpt #: 170 total cpu time spent up to now is 534.5 secs Computing kpt #: 171 total cpu time spent up to now is 537.2 secs Computing kpt #: 172 total cpu time spent up to now is 540.2 secs Computing kpt #: 173 total cpu time spent up to now is 543.4 secs Computing kpt #: 174 total cpu time spent up to now is 546.7 secs Computing kpt #: 175 total cpu time spent up to now is 549.9 secs Computing kpt #: 176 total cpu time spent up to now is 552.6 secs Computing kpt #: 177 total cpu time spent up to now is 555.4 secs Computing kpt #: 178 total cpu time spent up to now is 558.1 secs Computing kpt #: 179 total cpu time spent up to now is 560.9 secs Computing kpt #: 180 total cpu time spent up to now is 563.7 secs Computing kpt #: 181 total cpu time spent up to now is 566.4 secs Computing kpt #: 182 total cpu time spent up to now is 569.2 secs Computing kpt #: 183 total cpu time spent up to now is 571.9 secs Computing kpt #: 184 total cpu time spent up to now is 574.6 secs Computing kpt #: 185 total cpu time spent up to now is 577.4 secs Computing kpt #: 186 total cpu time spent up to now is 580.1 secs Computing kpt #: 187 total cpu time spent up to now is 582.8 secs Computing kpt #: 188 total cpu time spent up to now is 585.6 secs Computing kpt #: 189 total cpu time spent up to now is 588.3 secs Computing kpt #: 190 total cpu time spent up to now is 591.0 secs Computing kpt #: 191 total cpu time spent up to now is 593.7 secs Computing kpt #: 192 total cpu time spent up to now is 596.4 secs Computing kpt #: 193 total cpu time spent up to now is 599.1 secs Computing kpt #: 194 total cpu time spent up to now is 601.8 secs Computing kpt #: 195 total cpu time spent up to now is 604.5 secs Computing kpt #: 196 total cpu time spent up to now is 607.2 secs Computing kpt #: 197 total cpu time spent up to now is 610.0 secs Computing kpt #: 198 total cpu time spent up to now is 612.7 secs Computing kpt #: 199 total cpu time spent up to now is 615.5 secs Computing kpt #: 200 total cpu time spent up to now is 618.7 secs Computing kpt #: 201 total cpu time spent up to now is 621.8 secs Computing kpt #: 202 total cpu time spent up to now is 625.0 secs Computing kpt #: 203 total cpu time spent up to now is 628.2 secs Computing kpt #: 204 total cpu time spent up to now is 630.9 secs Computing kpt #: 205 total cpu time spent up to now is 634.2 secs Computing kpt #: 206 total cpu time spent up to now is 637.4 secs Computing kpt #: 207 total cpu time spent up to now is 640.6 secs Computing kpt #: 208 total cpu time spent up to now is 643.9 secs Computing kpt #: 209 total cpu time spent up to now is 647.1 secs Computing kpt #: 210 total cpu time spent up to now is 650.4 secs Computing kpt #: 211 total cpu time spent up to now is 653.6 secs Computing kpt #: 212 total cpu time spent up to now is 656.9 secs Computing kpt #: 213 total cpu time spent up to now is 660.2 secs Computing kpt #: 214 total cpu time spent up to now is 663.4 secs Computing kpt #: 215 total cpu time spent up to now is 666.6 secs Computing kpt #: 216 total cpu time spent up to now is 669.8 secs Computing kpt #: 217 total cpu time spent up to now is 672.6 secs ethr = 1.72E-08, avg # of iterations = 22.2 total cpu time spent up to now is 672.6 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 8057 PWs) bands (ev): -27.1409 -27.1409 -27.1385 -27.1385 -26.9882 -26.9882 -26.9750 -26.9750 -10.8605 -10.8605 -10.8427 -10.8427 -10.7016 -10.7016 -10.6449 -10.6449 -10.6024 -10.6024 -10.5891 -10.5891 -10.5606 -10.5606 -10.5432 -10.5432 -10.4377 -10.4377 -10.4111 -10.4111 -10.3851 -10.3851 -10.3568 -10.3568 -6.4480 -6.4480 -5.3798 -5.3798 -5.0766 -5.0766 -4.8995 -4.8995 -4.4089 -4.4089 -4.3749 -4.3749 -4.0190 -4.0190 0.3527 0.3527 2.5152 2.5152 2.7790 2.7790 2.9152 2.9152 3.2712 3.2712 3.4197 3.4197 4.1110 4.1110 6.4078 6.4078 6.4511 6.4511 6.5377 6.5377 6.9567 6.9567 7.5839 7.5839 k = 0.0156-0.0229-0.0141 ( 8047 PWs) bands (ev): -27.1409 -27.1409 -27.1385 -27.1385 -26.9881 -26.9881 -26.9750 -26.9750 -10.8605 -10.8605 -10.8427 -10.8427 -10.7017 -10.7017 -10.6451 -10.6451 -10.6025 -10.6025 -10.5890 -10.5890 -10.5605 -10.5605 -10.5432 -10.5432 -10.4376 -10.4376 -10.4112 -10.4112 -10.3850 -10.3850 -10.3568 -10.3568 -6.4479 -6.4479 -5.3797 -5.3797 -5.0766 -5.0766 -4.8994 -4.8994 -4.4089 -4.4089 -4.3749 -4.3749 -4.0188 -4.0188 0.3532 0.3532 2.5150 2.5150 2.7771 2.7771 2.9131 2.9131 3.2706 3.2706 3.4189 3.4189 4.1171 4.1171 6.4035 6.4035 6.4509 6.4509 6.5290 6.5290 6.9725 6.9725 7.5839 7.5839 k = 0.0312-0.0458-0.0281 ( 8045 PWs) bands (ev): -27.1409 -27.1409 -27.1385 -27.1385 -26.9881 -26.9881 -26.9750 -26.9750 -10.8604 -10.8604 -10.8428 -10.8428 -10.7020 -10.7020 -10.6455 -10.6455 -10.6027 -10.6027 -10.5889 -10.5889 -10.5602 -10.5602 -10.5433 -10.5433 -10.4374 -10.4374 -10.4115 -10.4115 -10.3846 -10.3846 -10.3569 -10.3569 -6.4475 -6.4475 -5.3793 -5.3793 -5.0766 -5.0766 -4.8993 -4.8993 -4.4089 -4.4089 -4.3749 -4.3749 -4.0183 -4.0183 0.3546 0.3546 2.5146 2.5146 2.7715 2.7715 2.9074 2.9074 3.2685 3.2685 3.4167 3.4167 4.1350 4.1350 6.3824 6.3824 6.4553 6.4553 6.5118 6.5118 7.0138 7.0138 7.5840 7.5840 k = 0.0469-0.0687-0.0422 ( 8052 PWs) bands (ev): -27.1409 -27.1409 -27.1385 -27.1385 -26.9881 -26.9881 -26.9751 -26.9751 -10.8604 -10.8604 -10.8429 -10.8429 -10.7025 -10.7025 -10.6462 -10.6462 -10.6031 -10.6031 -10.5886 -10.5886 -10.5597 -10.5597 -10.5433 -10.5433 -10.4370 -10.4370 -10.4120 -10.4120 -10.3840 -10.3840 -10.3572 -10.3572 -6.4467 -6.4467 -5.3786 -5.3786 -5.0766 -5.0766 -4.8992 -4.8992 -4.4089 -4.4089 -4.3749 -4.3749 -4.0174 -4.0174 0.3570 0.3570 2.5138 2.5138 2.7612 2.7612 2.8995 2.8995 3.2650 3.2650 3.4133 3.4133 4.1639 4.1639 6.3378 6.3378 6.4677 6.4677 6.4997 6.4997 7.0693 7.0693 7.5838 7.5838 k = 0.0625-0.0916-0.0563 ( 8040 PWs) bands (ev): -27.1408 -27.1408 -27.1384 -27.1384 -26.9881 -26.9881 -26.9751 -26.9751 -10.8604 -10.8604 -10.8431 -10.8431 -10.7031 -10.7031 -10.6472 -10.6472 -10.6036 -10.6036 -10.5884 -10.5884 -10.5590 -10.5590 -10.5433 -10.5433 -10.4364 -10.4364 -10.4126 -10.4126 -10.3833 -10.3833 -10.3575 -10.3575 -6.4458 -6.4458 -5.3777 -5.3777 -5.0765 -5.0765 -4.8990 -4.8990 -4.4089 -4.4089 -4.3748 -4.3748 -4.0162 -4.0162 0.3603 0.3603 2.5125 2.5125 2.7457 2.7457 2.8914 2.8914 3.2598 3.2598 3.4088 3.4088 4.2028 4.2028 6.2766 6.2766 6.4760 6.4760 6.5053 6.5053 7.1287 7.1287 7.5819 7.5819 k = 0.0781-0.1145-0.0703 ( 8042 PWs) bands (ev): -27.1408 -27.1408 -27.1384 -27.1384 -26.9880 -26.9880 -26.9752 -26.9752 -10.8603 -10.8603 -10.8434 -10.8434 -10.7040 -10.7040 -10.6486 -10.6486 -10.6040 -10.6040 -10.5882 -10.5882 -10.5582 -10.5582 -10.5433 -10.5433 -10.4357 -10.4357 -10.4133 -10.4133 -10.3824 -10.3824 -10.3579 -10.3579 -6.4445 -6.4445 -5.3766 -5.3766 -5.0765 -5.0765 -4.8987 -4.8987 -4.4090 -4.4090 -4.3748 -4.3748 -4.0146 -4.0146 0.3646 0.3646 2.5106 2.5106 2.7248 2.7248 2.8846 2.8846 3.2526 3.2526 3.4038 3.4038 4.2502 4.2502 6.2068 6.2068 6.4719 6.4719 6.5332 6.5332 7.1831 7.1831 7.5644 7.5644 k = 0.0938-0.1374-0.0844 ( 8043 PWs) bands (ev): -27.1408 -27.1408 -27.1384 -27.1384 -26.9880 -26.9880 -26.9753 -26.9753 -10.8603 -10.8603 -10.8437 -10.8437 -10.7049 -10.7049 -10.6502 -10.6502 -10.6044 -10.6044 -10.5880 -10.5880 -10.5572 -10.5572 -10.5433 -10.5433 -10.4349 -10.4349 -10.4141 -10.4141 -10.3814 -10.3814 -10.3583 -10.3583 -6.4430 -6.4430 -5.3752 -5.3752 -5.0765 -5.0765 -4.8984 -4.8984 -4.4090 -4.4090 -4.3748 -4.3748 -4.0127 -4.0127 0.3697 0.3697 2.5077 2.5077 2.6993 2.6993 2.8799 2.8799 3.2433 3.2433 3.3986 3.3986 4.3049 4.3049 6.1331 6.1331 6.4652 6.4652 6.5712 6.5712 7.2217 7.2217 7.5439 7.5439 k = 0.1094-0.1603-0.0984 ( 8029 PWs) bands (ev): -27.1407 -27.1407 -27.1383 -27.1383 -26.9879 -26.9879 -26.9755 -26.9755 -10.8602 -10.8602 -10.8440 -10.8440 -10.7060 -10.7060 -10.6521 -10.6521 -10.6048 -10.6048 -10.5880 -10.5880 -10.5561 -10.5561 -10.5433 -10.5433 -10.4339 -10.4339 -10.4149 -10.4149 -10.3803 -10.3803 -10.3587 -10.3587 -6.4413 -6.4413 -5.3737 -5.3737 -5.0765 -5.0765 -4.8980 -4.8980 -4.4090 -4.4090 -4.3747 -4.3747 -4.0106 -4.0106 0.3757 0.3757 2.5035 2.5035 2.6709 2.6709 2.8772 2.8772 3.2318 3.2318 3.3936 3.3936 4.3655 4.3655 6.0578 6.0578 6.4578 6.4578 6.6159 6.6159 7.2337 7.2337 7.5380 7.5380 k = 0.1250-0.1832-0.1125 ( 8027 PWs) bands (ev): -27.1406 -27.1406 -27.1383 -27.1383 -26.9878 -26.9878 -26.9756 -26.9756 -10.8601 -10.8601 -10.8444 -10.8444 -10.7072 -10.7072 -10.6542 -10.6542 -10.6051 -10.6051 -10.5880 -10.5880 -10.5549 -10.5549 -10.5432 -10.5432 -10.4329 -10.4329 -10.4157 -10.4157 -10.3793 -10.3793 -10.3592 -10.3592 -6.4394 -6.4394 -5.3719 -5.3719 -5.0765 -5.0765 -4.8976 -4.8976 -4.4090 -4.4090 -4.3747 -4.3747 -4.0081 -4.0081 0.3824 0.3824 2.4969 2.4969 2.6418 2.6418 2.8761 2.8761 3.2179 3.2179 3.3892 3.3892 4.4309 4.4309 5.9823 5.9823 6.4499 6.4499 6.6663 6.6663 7.2175 7.2175 7.5387 7.5387 k = 0.1406-0.2061-0.1266 ( 8028 PWs) bands (ev): -27.1405 -27.1405 -27.1383 -27.1383 -26.9877 -26.9877 -26.9757 -26.9757 -10.8601 -10.8601 -10.8449 -10.8449 -10.7085 -10.7085 -10.6566 -10.6566 -10.6053 -10.6053 -10.5882 -10.5882 -10.5536 -10.5536 -10.5431 -10.5431 -10.4318 -10.4318 -10.4166 -10.4166 -10.3783 -10.3783 -10.3597 -10.3597 -6.4373 -6.4373 -5.3699 -5.3699 -5.0764 -5.0764 -4.8971 -4.8971 -4.4091 -4.4091 -4.3746 -4.3746 -4.0054 -4.0054 0.3899 0.3899 2.4865 2.4865 2.6145 2.6145 2.8764 2.8764 3.2019 3.2019 3.3854 3.3854 4.5000 4.5000 5.9075 5.9075 6.4415 6.4415 6.7211 6.7211 7.1822 7.1822 7.5322 7.5322 k = 0.1562-0.2290-0.1406 ( 8025 PWs) bands (ev): -27.1405 -27.1405 -27.1383 -27.1383 -26.9876 -26.9876 -26.9759 -26.9759 -10.8600 -10.8600 -10.8453 -10.8453 -10.7099 -10.7099 -10.6592 -10.6592 -10.6054 -10.6054 -10.5884 -10.5884 -10.5522 -10.5522 -10.5428 -10.5428 -10.4307 -10.4307 -10.4173 -10.4173 -10.3773 -10.3773 -10.3601 -10.3601 -6.4350 -6.4350 -5.3678 -5.3678 -5.0764 -5.0764 -4.8966 -4.8966 -4.4091 -4.4091 -4.3746 -4.3746 -4.0024 -4.0024 0.3981 0.3981 2.4707 2.4707 2.5917 2.5917 2.8777 2.8777 3.1840 3.1840 3.3825 3.3825 4.5719 4.5719 5.8338 5.8338 6.4326 6.4326 6.7789 6.7789 7.1378 7.1378 7.5168 7.5168 k = 0.1719-0.2519-0.1547 ( 8023 PWs) bands (ev): -27.1404 -27.1404 -27.1382 -27.1382 -26.9875 -26.9875 -26.9761 -26.9761 -10.8599 -10.8599 -10.8458 -10.8458 -10.7113 -10.7113 -10.6620 -10.6620 -10.6055 -10.6055 -10.5888 -10.5888 -10.5509 -10.5509 -10.5426 -10.5426 -10.4296 -10.4296 -10.4180 -10.4180 -10.3764 -10.3764 -10.3604 -10.3604 -6.4325 -6.4325 -5.3655 -5.3655 -5.0764 -5.0764 -4.8961 -4.8961 -4.4091 -4.4091 -4.3745 -4.3745 -3.9993 -3.9993 0.4070 0.4070 2.4485 2.4485 2.5750 2.5750 2.8798 2.8798 3.1644 3.1644 3.3803 3.3803 4.6457 4.6457 5.7617 5.7617 6.4234 6.4234 6.8367 6.8367 7.0914 7.0914 7.4941 7.4941 k = 0.1875-0.2748-0.1688 ( 8017 PWs) bands (ev): -27.1403 -27.1403 -27.1382 -27.1382 -26.9874 -26.9874 -26.9763 -26.9763 -10.8598 -10.8598 -10.8464 -10.8464 -10.7127 -10.7127 -10.6650 -10.6650 -10.6056 -10.6056 -10.5892 -10.5892 -10.5497 -10.5497 -10.5422 -10.5422 -10.4285 -10.4285 -10.4186 -10.4186 -10.3757 -10.3757 -10.3607 -10.3607 -6.4300 -6.4300 -5.3631 -5.3631 -5.0764 -5.0764 -4.8956 -4.8956 -4.4092 -4.4092 -4.3744 -4.3744 -3.9959 -3.9959 0.4163 0.4163 2.4210 2.4210 2.5641 2.5641 2.8824 2.8824 3.1436 3.1436 3.3787 3.3787 4.7207 4.7207 5.6915 5.6915 6.4138 6.4138 6.8867 6.8867 7.0525 7.0525 7.4655 7.4655 k = 0.2031-0.2977-0.1828 ( 8029 PWs) bands (ev): -27.1402 -27.1402 -27.1382 -27.1382 -26.9873 -26.9873 -26.9765 -26.9765 -10.8598 -10.8598 -10.8469 -10.8469 -10.7141 -10.7141 -10.6680 -10.6680 -10.6057 -10.6057 -10.5897 -10.5897 -10.5485 -10.5485 -10.5416 -10.5416 -10.4275 -10.4275 -10.4191 -10.4191 -10.3751 -10.3751 -10.3608 -10.3608 -6.4273 -6.4273 -5.3606 -5.3606 -5.0764 -5.0764 -4.8950 -4.8950 -4.4092 -4.4092 -4.3744 -4.3744 -3.9924 -3.9924 0.4262 0.4262 2.3902 2.3902 2.5574 2.5574 2.8855 2.8855 3.1219 3.1219 3.3777 3.3777 4.7961 4.7961 5.6235 5.6235 6.4040 6.4040 6.9053 6.9053 7.0436 7.0436 7.4340 7.4340 k = 0.2188-0.3206-0.1969 ( 8024 PWs) bands (ev): -27.1401 -27.1401 -27.1382 -27.1382 -26.9872 -26.9872 -26.9767 -26.9767 -10.8597 -10.8597 -10.8475 -10.8475 -10.7154 -10.7154 -10.6711 -10.6711 -10.6057 -10.6057 -10.5902 -10.5902 -10.5474 -10.5474 -10.5410 -10.5410 -10.4266 -10.4266 -10.4194 -10.4194 -10.3746 -10.3746 -10.3607 -10.3607 -6.4246 -6.4246 -5.3580 -5.3580 -5.0764 -5.0764 -4.8944 -4.8944 -4.4093 -4.4093 -4.3744 -4.3744 -3.9888 -3.9888 0.4365 0.4365 2.3580 2.3580 2.5532 2.5532 2.8889 2.8889 3.0996 3.0996 3.3771 3.3771 4.8712 4.8712 5.5579 5.5579 6.3941 6.3941 6.8796 6.8796 7.0742 7.0742 7.4044 7.4044 k = 0.2344-0.3435-0.2110 ( 8029 PWs) bands (ev): -27.1400 -27.1400 -27.1382 -27.1382 -26.9871 -26.9871 -26.9769 -26.9769 -10.8596 -10.8596 -10.8480 -10.8480 -10.7168 -10.7168 -10.6744 -10.6744 -10.6058 -10.6058 -10.5908 -10.5908 -10.5465 -10.5465 -10.5402 -10.5402 -10.4259 -10.4259 -10.4195 -10.4195 -10.3744 -10.3744 -10.3605 -10.3605 -6.4219 -6.4219 -5.3553 -5.3553 -5.0764 -5.0764 -4.8939 -4.8939 -4.4093 -4.4093 -4.3743 -4.3743 -3.9851 -3.9851 0.4470 0.4470 2.3256 2.3256 2.5507 2.5507 2.8926 2.8926 3.0771 3.0771 3.3770 3.3770 4.9454 4.9454 5.4949 5.4949 6.3842 6.3842 6.8364 6.8364 7.1100 7.1100 7.3854 7.3854 k = 0.2500-0.3664-0.2250 ( 8021 PWs) bands (ev): -27.1399 -27.1399 -27.1381 -27.1381 -26.9869 -26.9869 -26.9772 -26.9772 -10.8596 -10.8596 -10.8486 -10.8486 -10.7181 -10.7181 -10.6776 -10.6776 -10.6059 -10.6059 -10.5913 -10.5913 -10.5457 -10.5457 -10.5393 -10.5393 -10.4254 -10.4254 -10.4194 -10.4194 -10.3742 -10.3742 -10.3602 -10.3602 -6.4191 -6.4191 -5.3526 -5.3526 -5.0764 -5.0764 -4.8933 -4.8933 -4.4094 -4.4094 -4.3742 -4.3742 -3.9814 -3.9814 0.4578 0.4578 2.2937 2.2937 2.5493 2.5493 2.8964 2.8964 3.0546 3.0546 3.3771 3.3771 5.0180 5.0180 5.4346 5.4346 6.3742 6.3742 6.7895 6.7895 7.1258 7.1258 7.3880 7.3880 k = 0.2656-0.3893-0.2391 ( 8030 PWs) bands (ev): -27.1398 -27.1398 -27.1381 -27.1381 -26.9868 -26.9868 -26.9774 -26.9774 -10.8595 -10.8595 -10.8492 -10.8492 -10.7193 -10.7193 -10.6808 -10.6808 -10.6060 -10.6060 -10.5919 -10.5919 -10.5450 -10.5450 -10.5382 -10.5382 -10.4251 -10.4251 -10.4191 -10.4191 -10.3741 -10.3741 -10.3597 -10.3597 -6.4164 -6.4164 -5.3500 -5.3500 -5.0764 -5.0764 -4.8927 -4.8927 -4.4094 -4.4094 -4.3742 -4.3742 -3.9777 -3.9777 0.4687 0.4687 2.2630 2.2630 2.5487 2.5487 2.9003 2.9003 3.0323 3.0323 3.3774 3.3774 5.0884 5.0884 5.3772 5.3772 6.3643 6.3643 6.7430 6.7430 7.1149 7.1149 7.4138 7.4138 k = 0.2812-0.4122-0.2531 ( 8038 PWs) bands (ev): -27.1397 -27.1397 -27.1381 -27.1381 -26.9867 -26.9867 -26.9777 -26.9777 -10.8595 -10.8595 -10.8497 -10.8497 -10.7204 -10.7204 -10.6841 -10.6841 -10.6061 -10.6061 -10.5925 -10.5925 -10.5445 -10.5445 -10.5372 -10.5372 -10.4249 -10.4249 -10.4186 -10.4186 -10.3742 -10.3742 -10.3592 -10.3592 -6.4137 -6.4137 -5.3473 -5.3473 -5.0764 -5.0764 -4.8921 -4.8921 -4.4095 -4.4095 -4.3742 -4.3742 -3.9739 -3.9739 0.4796 0.4796 2.2337 2.2337 2.5487 2.5487 2.9042 2.9042 3.0104 3.0104 3.3780 3.3780 5.1561 5.1561 5.3229 5.3229 6.3547 6.3547 6.6986 6.6986 7.0861 7.0861 7.4497 7.4497 k = 0.2969-0.4352-0.2672 ( 8035 PWs) bands (ev): -27.1396 -27.1396 -27.1381 -27.1381 -26.9865 -26.9865 -26.9779 -26.9779 -10.8595 -10.8595 -10.8503 -10.8503 -10.7214 -10.7214 -10.6873 -10.6873 -10.6063 -10.6063 -10.5931 -10.5931 -10.5440 -10.5440 -10.5361 -10.5361 -10.4248 -10.4248 -10.4181 -10.4181 -10.3742 -10.3742 -10.3587 -10.3587 -6.4110 -6.4110 -5.3447 -5.3447 -5.0764 -5.0764 -4.8916 -4.8916 -4.4096 -4.4096 -4.3741 -4.3741 -3.9703 -3.9703 0.4904 0.4904 2.2060 2.2060 2.5492 2.5492 2.9081 2.9081 2.9893 2.9893 3.3786 3.3786 5.2202 5.2202 5.2719 5.2719 6.3452 6.3452 6.6569 6.6569 7.0494 7.0494 7.4820 7.4820 k = 0.3125-0.4581-0.2813 ( 8044 PWs) bands (ev): -27.1395 -27.1395 -27.1381 -27.1381 -26.9863 -26.9863 -26.9782 -26.9782 -10.8595 -10.8595 -10.8508 -10.8508 -10.7222 -10.7222 -10.6904 -10.6904 -10.6065 -10.6065 -10.5936 -10.5936 -10.5435 -10.5435 -10.5350 -10.5350 -10.4247 -10.4247 -10.4177 -10.4177 -10.3743 -10.3743 -10.3581 -10.3581 -6.4085 -6.4085 -5.3422 -5.3422 -5.0764 -5.0764 -4.8911 -4.8911 -4.4096 -4.4096 -4.3741 -4.3741 -3.9667 -3.9667 0.5010 0.5010 2.1800 2.1800 2.5501 2.5501 2.9117 2.9117 2.9691 2.9691 3.3793 3.3793 5.2237 5.2237 5.2809 5.2809 6.3361 6.3361 6.6187 6.6187 7.0105 7.0105 7.5029 7.5029 k = 0.3281-0.4810-0.2953 ( 8044 PWs) bands (ev): -27.1394 -27.1394 -27.1380 -27.1380 -26.9862 -26.9862 -26.9784 -26.9784 -10.8595 -10.8595 -10.8513 -10.8513 -10.7230 -10.7230 -10.6935 -10.6935 -10.6067 -10.6067 -10.5941 -10.5941 -10.5432 -10.5432 -10.5340 -10.5340 -10.4247 -10.4247 -10.4172 -10.4172 -10.3743 -10.3743 -10.3575 -10.3575 -6.4060 -6.4060 -5.3397 -5.3397 -5.0764 -5.0764 -4.8906 -4.8906 -4.4097 -4.4097 -4.3740 -4.3740 -3.9633 -3.9633 0.5113 0.5113 2.1560 2.1560 2.5514 2.5514 2.9149 2.9149 2.9501 2.9501 3.3801 3.3801 5.1794 5.1794 5.3366 5.3366 6.3273 6.3273 6.5842 6.5842 6.9722 6.9722 7.5102 7.5102 k = 0.3438-0.5039-0.3094 ( 8053 PWs) bands (ev): -27.1393 -27.1393 -27.1380 -27.1380 -26.9860 -26.9860 -26.9787 -26.9787 -10.8595 -10.8595 -10.8518 -10.8518 -10.7236 -10.7236 -10.6965 -10.6965 -10.6070 -10.6070 -10.5945 -10.5945 -10.5428 -10.5428 -10.5330 -10.5330 -10.4246 -10.4246 -10.4169 -10.4169 -10.3743 -10.3743 -10.3570 -10.3570 -6.4037 -6.4037 -5.3374 -5.3374 -5.0765 -5.0765 -4.8901 -4.8901 -4.4097 -4.4097 -4.3740 -4.3740 -3.9600 -3.9600 0.5212 0.5212 2.1339 2.1339 2.5529 2.5529 2.9161 2.9161 2.9340 2.9340 3.3809 3.3809 5.1385 5.1385 5.3875 5.3875 6.3191 6.3191 6.5539 6.5539 6.9362 6.9362 7.5053 7.5053 k = 0.3594-0.5268-0.3235 ( 8058 PWs) bands (ev): -27.1393 -27.1393 -27.1380 -27.1380 -26.9859 -26.9859 -26.9790 -26.9790 -10.8595 -10.8595 -10.8522 -10.8522 -10.7240 -10.7240 -10.6993 -10.6993 -10.6073 -10.6073 -10.5949 -10.5949 -10.5425 -10.5425 -10.5321 -10.5321 -10.4244 -10.4244 -10.4166 -10.4166 -10.3743 -10.3743 -10.3565 -10.3565 -6.4016 -6.4016 -5.3352 -5.3352 -5.0765 -5.0765 -4.8897 -4.8897 -4.4098 -4.4098 -4.3740 -4.3740 -3.9570 -3.9570 0.5305 0.5305 2.1138 2.1138 2.5547 2.5547 2.9086 2.9086 2.9275 2.9275 3.3816 3.3816 5.1013 5.1013 5.4329 5.4329 6.3113 6.3113 6.5278 6.5278 6.9037 6.9037 7.4907 7.4907 k = 0.3750-0.5497-0.3375 ( 8057 PWs) bands (ev): -27.1392 -27.1392 -27.1380 -27.1380 -26.9857 -26.9857 -26.9792 -26.9792 -10.8596 -10.8596 -10.8526 -10.8526 -10.7243 -10.7243 -10.7021 -10.7021 -10.6076 -10.6076 -10.5953 -10.5953 -10.5423 -10.5423 -10.5313 -10.5313 -10.4243 -10.4243 -10.4164 -10.4164 -10.3743 -10.3743 -10.3560 -10.3560 -6.3996 -6.3996 -5.3332 -5.3332 -5.0765 -5.0765 -4.8893 -4.8893 -4.4098 -4.4098 -4.3739 -4.3739 -3.9541 -3.9541 0.5392 0.5392 2.0958 2.0958 2.5567 2.5567 2.8945 2.8945 2.9287 2.9287 3.3824 3.3824 5.0677 5.0677 5.4728 5.4728 6.3041 6.3041 6.5059 6.5059 6.8753 6.8753 7.4691 7.4691 k = 0.3906-0.5726-0.3516 ( 8057 PWs) bands (ev): -27.1391 -27.1391 -27.1380 -27.1380 -26.9855 -26.9855 -26.9794 -26.9794 -10.8596 -10.8596 -10.8529 -10.8529 -10.7244 -10.7244 -10.7047 -10.7047 -10.6078 -10.6078 -10.5956 -10.5956 -10.5420 -10.5420 -10.5306 -10.5306 -10.4241 -10.4241 -10.4162 -10.4162 -10.3742 -10.3742 -10.3556 -10.3556 -6.3979 -6.3979 -5.3314 -5.3314 -5.0765 -5.0765 -4.8889 -4.8889 -4.4099 -4.4099 -4.3739 -4.3739 -3.9515 -3.9515 0.5472 0.5472 2.0798 2.0798 2.5587 2.5587 2.8804 2.8804 2.9310 2.9310 3.3831 3.3831 5.0379 5.0379 5.5069 5.5069 6.2976 6.2976 6.4881 6.4881 6.8515 6.8515 7.4430 7.4430 k = 0.4062-0.5955-0.3656 ( 8056 PWs) bands (ev): -27.1390 -27.1390 -27.1380 -27.1380 -26.9854 -26.9854 -26.9796 -26.9796 -10.8597 -10.8597 -10.8532 -10.8532 -10.7243 -10.7243 -10.7072 -10.7072 -10.6081 -10.6081 -10.5958 -10.5958 -10.5418 -10.5418 -10.5299 -10.5299 -10.4238 -10.4238 -10.4162 -10.4162 -10.3741 -10.3741 -10.3552 -10.3552 -6.3963 -6.3963 -5.3298 -5.3298 -5.0765 -5.0765 -4.8886 -4.8886 -4.4099 -4.4099 -4.3739 -4.3739 -3.9493 -3.9493 0.5543 0.5543 2.0660 2.0660 2.5609 2.5609 2.8676 2.8676 2.9334 2.9334 3.3837 3.3837 5.0120 5.0120 5.5354 5.5354 6.2918 6.2918 6.4740 6.4740 6.8325 6.8325 7.4145 7.4145 k = 0.4219-0.6184-0.3797 ( 8060 PWs) bands (ev): -27.1390 -27.1390 -27.1380 -27.1380 -26.9852 -26.9852 -26.9798 -26.9798 -10.8597 -10.8597 -10.8534 -10.8534 -10.7240 -10.7240 -10.7095 -10.7095 -10.6084 -10.6084 -10.5960 -10.5960 -10.5417 -10.5417 -10.5294 -10.5294 -10.4236 -10.4236 -10.4162 -10.4162 -10.3740 -10.3740 -10.3549 -10.3549 -6.3949 -6.3949 -5.3284 -5.3284 -5.0766 -5.0766 -4.8883 -4.8883 -4.4100 -4.4100 -4.3739 -4.3739 -3.9473 -3.9473 0.5605 0.5605 2.0542 2.0542 2.5629 2.5629 2.8563 2.8563 2.9355 2.9355 3.3842 3.3842 4.9899 4.9899 5.5584 5.5584 6.2867 6.2867 6.4630 6.4630 6.8183 6.8183 7.3858 7.3858 k = 0.4375-0.6413-0.3938 ( 8064 PWs) bands (ev): -27.1389 -27.1389 -27.1380 -27.1380 -26.9851 -26.9851 -26.9800 -26.9800 -10.8598 -10.8598 -10.8536 -10.8536 -10.7236 -10.7236 -10.7116 -10.7116 -10.6086 -10.6086 -10.5962 -10.5962 -10.5415 -10.5415 -10.5289 -10.5289 -10.4234 -10.4234 -10.4162 -10.4162 -10.3739 -10.3739 -10.3546 -10.3546 -6.3938 -6.3938 -5.3272 -5.3272 -5.0766 -5.0766 -4.8881 -4.8881 -4.4100 -4.4100 -4.3738 -4.3738 -3.9456 -3.9456 0.5657 0.5657 2.0446 2.0446 2.5648 2.5648 2.8467 2.8467 2.9373 2.9373 3.3847 3.3847 4.9718 4.9718 5.5763 5.5763 6.2825 6.2825 6.4548 6.4548 6.8085 6.8085 7.3588 7.3588 k = 0.4531-0.6642-0.4078 ( 8055 PWs) bands (ev): -27.1389 -27.1389 -27.1380 -27.1380 -26.9850 -26.9850 -26.9802 -26.9802 -10.8598 -10.8598 -10.8538 -10.8538 -10.7231 -10.7231 -10.7134 -10.7134 -10.6087 -10.6087 -10.5964 -10.5964 -10.5414 -10.5414 -10.5285 -10.5285 -10.4232 -10.4232 -10.4163 -10.4163 -10.3739 -10.3739 -10.3544 -10.3544 -6.3929 -6.3929 -5.3263 -5.3263 -5.0766 -5.0766 -4.8879 -4.8879 -4.4100 -4.4100 -4.3738 -4.3738 -3.9443 -3.9443 0.5698 0.5698 2.0371 2.0371 2.5664 2.5664 2.8391 2.8391 2.9387 2.9387 3.3851 3.3851 4.9577 4.9577 5.5896 5.5896 6.2792 6.2792 6.4489 6.4489 6.8023 6.8023 7.3354 7.3354 k = 0.4688-0.6871-0.4219 ( 8042 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9849 -26.9849 -26.9803 -26.9803 -10.8598 -10.8598 -10.8539 -10.8539 -10.7225 -10.7225 -10.7150 -10.7150 -10.6089 -10.6089 -10.5964 -10.5964 -10.5414 -10.5414 -10.5283 -10.5283 -10.4230 -10.4230 -10.4163 -10.4163 -10.3738 -10.3738 -10.3543 -10.3543 -6.3923 -6.3923 -5.3256 -5.3256 -5.0766 -5.0766 -4.8877 -4.8877 -4.4100 -4.4100 -4.3738 -4.3738 -3.9434 -3.9434 0.5727 0.5727 2.0318 2.0318 2.5677 2.5677 2.8336 2.8336 2.9398 2.9398 3.3853 3.3853 4.9476 4.9476 5.5988 5.5988 6.2768 6.2768 6.4448 6.4448 6.7990 6.7990 7.3172 7.3172 k = 0.4844-0.7100-0.4360 ( 8040 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9848 -26.9848 -26.9803 -26.9803 -10.8598 -10.8598 -10.8540 -10.8540 -10.7219 -10.7219 -10.7162 -10.7162 -10.6089 -10.6089 -10.5965 -10.5965 -10.5413 -10.5413 -10.5281 -10.5281 -10.4229 -10.4229 -10.4163 -10.4163 -10.3738 -10.3738 -10.3542 -10.3542 -6.3919 -6.3919 -5.3252 -5.3252 -5.0766 -5.0766 -4.8877 -4.8877 -4.4100 -4.4100 -4.3738 -4.3738 -3.9428 -3.9428 0.5745 0.5745 2.0286 2.0286 2.5685 2.5685 2.8302 2.8302 2.9404 2.9404 3.3855 3.3855 4.9415 4.9415 5.6041 5.6041 6.2754 6.2754 6.4425 6.4425 6.7975 6.7975 7.3056 7.3056 k = 0.5000-0.7329-0.4500 ( 8046 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9848 -26.9848 -26.9803 -26.9803 -10.8599 -10.8599 -10.8540 -10.8540 -10.7216 -10.7216 -10.7166 -10.7166 -10.6090 -10.6090 -10.5965 -10.5965 -10.5413 -10.5413 -10.5281 -10.5281 -10.4229 -10.4229 -10.4164 -10.4164 -10.3737 -10.3737 -10.3542 -10.3542 -6.3918 -6.3918 -5.3251 -5.3251 -5.0766 -5.0766 -4.8877 -4.8877 -4.4100 -4.4100 -4.3738 -4.3738 -3.9426 -3.9426 0.5751 0.5751 2.0275 2.0275 2.5687 2.5687 2.8291 2.8291 2.9406 2.9406 3.3855 3.3855 4.9395 4.9395 5.6058 5.6058 6.2749 6.2749 6.4417 6.4417 6.7971 6.7971 7.3017 7.3017 k = 0.5000-0.7329-0.4500 ( 8046 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9848 -26.9848 -26.9803 -26.9803 -10.8599 -10.8599 -10.8540 -10.8540 -10.7216 -10.7216 -10.7166 -10.7166 -10.6090 -10.6090 -10.5965 -10.5965 -10.5413 -10.5413 -10.5281 -10.5281 -10.4229 -10.4229 -10.4164 -10.4164 -10.3737 -10.3737 -10.3542 -10.3542 -6.3918 -6.3918 -5.3251 -5.3251 -5.0766 -5.0766 -4.8877 -4.8877 -4.4100 -4.4100 -4.3738 -4.3738 -3.9426 -3.9426 0.5751 0.5751 2.0275 2.0275 2.5687 2.5687 2.8291 2.8291 2.9406 2.9406 3.3855 3.3855 4.9395 4.9395 5.6058 5.6058 6.2749 6.2749 6.4417 6.4417 6.7971 6.7971 7.3017 7.3017 k = 0.5000-0.7170-0.4760 ( 8034 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9848 -26.9848 -26.9803 -26.9803 -10.8599 -10.8599 -10.8539 -10.8539 -10.7217 -10.7217 -10.7166 -10.7166 -10.6093 -10.6093 -10.5961 -10.5961 -10.5416 -10.5416 -10.5277 -10.5277 -10.4237 -10.4237 -10.4155 -10.4155 -10.3737 -10.3737 -10.3542 -10.3542 -6.3918 -6.3918 -5.3251 -5.3251 -5.0766 -5.0766 -4.8876 -4.8876 -4.4100 -4.4100 -4.3738 -4.3738 -3.9426 -3.9426 0.5754 0.5754 2.0285 2.0285 2.5687 2.5687 2.8298 2.8298 2.9382 2.9382 3.3840 3.3840 4.9404 4.9404 5.6077 5.6077 6.2663 6.2663 6.4407 6.4407 6.8073 6.8073 7.3018 7.3018 k = 0.5000-0.7010-0.5019 ( 8034 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9848 -26.9848 -26.9804 -26.9804 -10.8599 -10.8599 -10.8539 -10.8539 -10.7219 -10.7219 -10.7166 -10.7166 -10.6103 -10.6103 -10.5950 -10.5950 -10.5425 -10.5425 -10.5268 -10.5268 -10.4256 -10.4256 -10.4136 -10.4136 -10.3737 -10.3737 -10.3543 -10.3543 -6.3916 -6.3916 -5.3250 -5.3250 -5.0766 -5.0766 -4.8876 -4.8876 -4.4100 -4.4100 -4.3738 -4.3738 -3.9424 -3.9424 0.5763 0.5763 2.0316 2.0316 2.5684 2.5684 2.8320 2.8320 2.9310 2.9310 3.3792 3.3792 4.9433 4.9433 5.6132 5.6132 6.2427 6.2427 6.4377 6.4377 6.8358 6.8358 7.3023 7.3023 k = 0.5000-0.6851-0.5279 ( 8036 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9847 -26.9847 -26.9804 -26.9804 -10.8601 -10.8601 -10.8538 -10.8538 -10.7223 -10.7223 -10.7165 -10.7165 -10.6117 -10.6117 -10.5935 -10.5935 -10.5438 -10.5438 -10.5255 -10.5255 -10.4277 -10.4277 -10.4114 -10.4114 -10.3737 -10.3737 -10.3545 -10.3545 -6.3914 -6.3914 -5.3249 -5.3249 -5.0766 -5.0766 -4.8876 -4.8876 -4.4100 -4.4100 -4.3738 -4.3738 -3.9421 -3.9421 0.5777 0.5777 2.0368 2.0368 2.5680 2.5680 2.8357 2.8357 2.9193 2.9193 3.3714 3.3714 4.9480 4.9480 5.6220 5.6220 6.2084 6.2084 6.4329 6.4329 6.8781 6.8781 7.3038 7.3038 k = 0.5000-0.6692-0.5538 ( 8052 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9847 -26.9847 -26.9805 -26.9805 -10.8602 -10.8602 -10.8537 -10.8537 -10.7227 -10.7227 -10.7165 -10.7165 -10.6132 -10.6132 -10.5917 -10.5917 -10.5452 -10.5452 -10.5239 -10.5239 -10.4299 -10.4299 -10.4090 -10.4090 -10.3737 -10.3737 -10.3548 -10.3548 -6.3911 -6.3911 -5.3247 -5.3247 -5.0766 -5.0766 -4.8875 -4.8875 -4.4100 -4.4100 -4.3738 -4.3738 -3.9417 -3.9417 0.5796 0.5796 2.0440 2.0440 2.5674 2.5674 2.8406 2.8406 2.9034 2.9034 3.3608 3.3608 4.9547 4.9547 5.6331 5.6331 6.1683 6.1683 6.4260 6.4260 6.9294 6.9294 7.3067 7.3067 k = 0.5000-0.6532-0.5797 ( 8052 PWs) bands (ev): -27.1387 -27.1387 -27.1380 -27.1380 -26.9846 -26.9846 -26.9806 -26.9806 -10.8604 -10.8604 -10.8536 -10.8536 -10.7233 -10.7233 -10.7165 -10.7165 -10.6148 -10.6148 -10.5897 -10.5897 -10.5469 -10.5469 -10.5222 -10.5222 -10.4321 -10.4321 -10.4067 -10.4067 -10.3737 -10.3737 -10.3552 -10.3552 -6.3908 -6.3908 -5.3245 -5.3245 -5.0766 -5.0766 -4.8874 -4.8874 -4.4100 -4.4100 -4.3738 -4.3738 -3.9411 -3.9411 0.5820 0.5820 2.0532 2.0532 2.5665 2.5665 2.8466 2.8466 2.8839 2.8839 3.3475 3.3475 4.9632 4.9632 5.6454 5.6454 6.1266 6.1266 6.4169 6.4169 6.9862 6.9862 7.3119 7.3119 k = 0.5000-0.6373-0.6057 ( 8056 PWs) bands (ev): -27.1387 -27.1387 -27.1380 -27.1380 -26.9846 -26.9846 -26.9806 -26.9806 -10.8606 -10.8606 -10.8534 -10.8534 -10.7239 -10.7239 -10.7165 -10.7165 -10.6164 -10.6164 -10.5878 -10.5878 -10.5485 -10.5485 -10.5205 -10.5205 -10.4343 -10.4343 -10.4043 -10.4043 -10.3738 -10.3738 -10.3556 -10.3556 -6.3904 -6.3904 -5.3243 -5.3243 -5.0766 -5.0766 -4.8874 -4.8874 -4.4100 -4.4100 -4.3738 -4.3738 -3.9405 -3.9405 0.5849 0.5849 2.0642 2.0642 2.5654 2.5654 2.8501 2.8501 2.8647 2.8647 3.3318 3.3318 4.9735 4.9735 5.6572 5.6572 6.0869 6.0869 6.4052 6.4052 7.0461 7.0461 7.3199 7.3199 k = 0.5000-0.6214-0.6316 ( 8054 PWs) bands (ev): -27.1387 -27.1387 -27.1380 -27.1380 -26.9845 -26.9845 -26.9807 -26.9807 -10.8608 -10.8608 -10.8533 -10.8533 -10.7246 -10.7246 -10.7165 -10.7165 -10.6179 -10.6179 -10.5858 -10.5858 -10.5502 -10.5502 -10.5187 -10.5187 -10.4363 -10.4363 -10.4020 -10.4020 -10.3738 -10.3738 -10.3560 -10.3560 -6.3899 -6.3899 -5.3240 -5.3240 -5.0766 -5.0766 -4.8872 -4.8872 -4.4100 -4.4100 -4.3738 -4.3738 -3.9398 -3.9398 0.5881 0.5881 2.0771 2.0771 2.5640 2.5640 2.8307 2.8307 2.8669 2.8669 3.3141 3.3141 4.9857 4.9857 5.6659 5.6659 6.0527 6.0527 6.3908 6.3908 7.1071 7.1071 7.3312 7.3312 k = 0.5000-0.6054-0.6576 ( 8056 PWs) bands (ev): -27.1387 -27.1387 -27.1381 -27.1381 -26.9844 -26.9844 -26.9809 -26.9809 -10.8611 -10.8611 -10.8532 -10.8532 -10.7253 -10.7253 -10.7166 -10.7166 -10.6194 -10.6194 -10.5838 -10.5838 -10.5518 -10.5518 -10.5170 -10.5170 -10.4382 -10.4382 -10.3998 -10.3998 -10.3739 -10.3739 -10.3565 -10.3565 -6.3893 -6.3893 -5.3238 -5.3238 -5.0766 -5.0766 -4.8871 -4.8871 -4.4100 -4.4100 -4.3738 -4.3738 -3.9390 -3.9390 0.5917 0.5917 2.0917 2.0917 2.5622 2.5622 2.8023 2.8023 2.8767 2.8767 3.2947 3.2947 4.9997 4.9997 5.6687 5.6687 6.0274 6.0274 6.3737 6.3737 7.1679 7.1679 7.3459 7.3459 k = 0.5000-0.5895-0.6835 ( 8046 PWs) bands (ev): -27.1386 -27.1386 -27.1380 -27.1380 -26.9843 -26.9843 -26.9810 -26.9810 -10.8613 -10.8613 -10.8530 -10.8530 -10.7260 -10.7260 -10.7167 -10.7167 -10.6207 -10.6207 -10.5819 -10.5819 -10.5534 -10.5534 -10.5153 -10.5153 -10.4400 -10.4400 -10.3976 -10.3976 -10.3741 -10.3741 -10.3570 -10.3570 -6.3888 -6.3888 -5.3236 -5.3236 -5.0766 -5.0766 -4.8870 -4.8870 -4.4100 -4.4100 -4.3738 -4.3738 -3.9381 -3.9381 0.5956 0.5956 2.1079 2.1079 2.5599 2.5599 2.7715 2.7715 2.8883 2.8883 3.2740 3.2740 5.0154 5.0154 5.6629 5.6629 6.0137 6.0137 6.3540 6.3540 7.2272 7.2272 7.3637 7.3637 k = 0.5000-0.5736-0.7094 ( 8050 PWs) bands (ev): -27.1386 -27.1386 -27.1381 -27.1381 -26.9842 -26.9842 -26.9811 -26.9811 -10.8615 -10.8615 -10.8529 -10.8529 -10.7267 -10.7267 -10.7168 -10.7168 -10.6220 -10.6220 -10.5801 -10.5801 -10.5550 -10.5550 -10.5138 -10.5138 -10.4417 -10.4417 -10.3955 -10.3955 -10.3743 -10.3743 -10.3574 -10.3574 -6.3881 -6.3881 -5.3234 -5.3234 -5.0766 -5.0766 -4.8869 -4.8869 -4.4100 -4.4100 -4.3738 -4.3738 -3.9372 -3.9372 0.5997 0.5997 2.1255 2.1255 2.5570 2.5570 2.7393 2.7393 2.9010 2.9010 3.2524 3.2524 5.0329 5.0329 5.6477 5.6477 6.0126 6.0126 6.3320 6.3320 7.2838 7.2838 7.3844 7.3844 k = 0.5000-0.5577-0.7354 ( 8052 PWs) bands (ev): -27.1386 -27.1386 -27.1381 -27.1381 -26.9841 -26.9841 -26.9813 -26.9813 -10.8617 -10.8617 -10.8528 -10.8528 -10.7274 -10.7274 -10.7169 -10.7169 -10.6231 -10.6231 -10.5783 -10.5783 -10.5565 -10.5565 -10.5123 -10.5123 -10.4432 -10.4432 -10.3935 -10.3935 -10.3746 -10.3746 -10.3579 -10.3579 -6.3875 -6.3875 -5.3232 -5.3232 -5.0766 -5.0766 -4.8867 -4.8867 -4.4100 -4.4100 -4.3738 -4.3738 -3.9362 -3.9362 0.6038 0.6038 2.1444 2.1444 2.5535 2.5535 2.7065 2.7065 2.9147 2.9147 3.2303 3.2303 5.0521 5.0521 5.6242 5.6242 6.0228 6.0228 6.3082 6.3082 7.3362 7.3362 7.4076 7.4076 k = 0.5000-0.5417-0.7613 ( 8048 PWs) bands (ev): -27.1385 -27.1385 -27.1381 -27.1381 -26.9839 -26.9839 -26.9814 -26.9814 -10.8619 -10.8619 -10.8527 -10.8527 -10.7281 -10.7281 -10.7171 -10.7171 -10.6240 -10.6240 -10.5767 -10.5767 -10.5579 -10.5579 -10.5110 -10.5110 -10.4445 -10.4445 -10.3915 -10.3915 -10.3751 -10.3751 -10.3583 -10.3583 -6.3869 -6.3869 -5.3232 -5.3232 -5.0766 -5.0766 -4.8866 -4.8866 -4.4100 -4.4100 -4.3738 -4.3738 -3.9353 -3.9353 0.6080 0.6080 2.1644 2.1644 2.5489 2.5489 2.6737 2.6737 2.9292 2.9292 3.2083 3.2083 5.0729 5.0729 5.5952 5.5952 6.0414 6.0414 6.2830 6.2830 7.3822 7.3822 7.4332 7.4332 k = 0.5000-0.5258-0.7873 ( 8050 PWs) bands (ev): -27.1385 -27.1385 -27.1381 -27.1381 -26.9838 -26.9838 -26.9816 -26.9816 -10.8620 -10.8620 -10.8526 -10.8526 -10.7287 -10.7287 -10.7172 -10.7172 -10.6249 -10.6249 -10.5752 -10.5752 -10.5592 -10.5592 -10.5098 -10.5098 -10.4457 -10.4457 -10.3897 -10.3897 -10.3756 -10.3756 -10.3586 -10.3586 -6.3862 -6.3862 -5.3232 -5.3232 -5.0766 -5.0766 -4.8864 -4.8864 -4.4100 -4.4100 -4.3738 -4.3738 -3.9343 -3.9343 0.6121 0.6121 2.1852 2.1852 2.5429 2.5429 2.6421 2.6421 2.9442 2.9442 3.1868 3.1868 5.0952 5.0952 5.5630 5.5630 6.0657 6.0657 6.2570 6.2570 7.4191 7.4191 7.4617 7.4617 k = 0.5000-0.5099-0.8132 ( 8054 PWs) bands (ev): -27.1385 -27.1385 -27.1381 -27.1381 -26.9836 -26.9836 -26.9818 -26.9818 -10.8621 -10.8621 -10.8526 -10.8526 -10.7293 -10.7293 -10.7174 -10.7174 -10.6256 -10.6256 -10.5739 -10.5739 -10.5604 -10.5604 -10.5088 -10.5088 -10.4466 -10.4466 -10.3879 -10.3879 -10.3763 -10.3763 -10.3588 -10.3588 -6.3856 -6.3856 -5.3233 -5.3233 -5.0766 -5.0766 -4.8863 -4.8863 -4.4101 -4.4101 -4.3738 -4.3738 -3.9333 -3.9333 0.6161 0.6161 2.2064 2.2064 2.5345 2.5345 2.6133 2.6133 2.9594 2.9594 3.1664 3.1664 5.1191 5.1191 5.5298 5.5298 6.0936 6.0936 6.2307 6.2307 7.4457 7.4457 7.4920 7.4920 k = 0.5000-0.4939-0.8392 ( 8066 PWs) bands (ev): -27.1384 -27.1384 -27.1381 -27.1381 -26.9834 -26.9834 -26.9820 -26.9820 -10.8622 -10.8622 -10.8526 -10.8526 -10.7298 -10.7298 -10.7175 -10.7175 -10.6262 -10.6262 -10.5728 -10.5728 -10.5613 -10.5613 -10.5079 -10.5079 -10.4474 -10.4474 -10.3863 -10.3863 -10.3772 -10.3772 -10.3590 -10.3590 -6.3850 -6.3850 -5.3236 -5.3236 -5.0766 -5.0766 -4.8862 -4.8862 -4.4101 -4.4101 -4.3738 -4.3738 -3.9324 -3.9324 0.6198 0.6198 2.2276 2.2276 2.5220 2.5220 2.5894 2.5894 2.9741 2.9741 3.1479 3.1479 5.1443 5.1443 5.4969 5.4969 6.1235 6.1235 6.2047 6.2047 7.4637 7.4637 7.5200 7.5200 k = 0.5000-0.4780-0.8651 ( 8064 PWs) bands (ev): -27.1384 -27.1384 -27.1382 -27.1382 -26.9832 -26.9832 -26.9822 -26.9822 -10.8622 -10.8622 -10.8526 -10.8526 -10.7302 -10.7302 -10.7176 -10.7176 -10.6266 -10.6266 -10.5720 -10.5720 -10.5620 -10.5620 -10.5072 -10.5072 -10.4480 -10.4480 -10.3848 -10.3848 -10.3781 -10.3781 -10.3592 -10.3592 -6.3844 -6.3844 -5.3240 -5.3240 -5.0766 -5.0766 -4.8860 -4.8860 -4.4101 -4.4101 -4.3738 -4.3738 -3.9315 -3.9315 0.6231 0.6231 2.2483 2.2483 2.5043 2.5043 2.5724 2.5724 2.9874 2.9874 3.1324 3.1324 5.1708 5.1708 5.4653 5.4653 6.1534 6.1534 6.1803 6.1803 7.4744 7.4744 7.5426 7.5426 k = 0.5000-0.4621-0.8910 ( 8068 PWs) bands (ev): -27.1384 -27.1384 -27.1382 -27.1382 -26.9831 -26.9831 -26.9824 -26.9824 -10.8622 -10.8622 -10.8526 -10.8526 -10.7304 -10.7304 -10.7177 -10.7177 -10.6270 -10.6270 -10.5716 -10.5716 -10.5624 -10.5624 -10.5068 -10.5068 -10.4484 -10.4484 -10.3834 -10.3834 -10.3791 -10.3791 -10.3592 -10.3592 -6.3838 -6.3838 -5.3246 -5.3246 -5.0766 -5.0766 -4.8859 -4.8859 -4.4101 -4.4101 -4.3738 -4.3738 -3.9306 -3.9306 0.6260 0.6260 2.2677 2.2677 2.4826 2.4826 2.5619 2.5619 2.9980 2.9980 3.1214 3.1214 5.1982 5.1982 5.4358 5.4358 6.1525 6.1525 6.1880 6.1880 7.4779 7.4779 7.5590 7.5590 k = 0.5000-0.4462-0.9170 ( 8060 PWs) bands (ev): -27.1383 -27.1383 -27.1382 -27.1382 -26.9828 -26.9828 -26.9826 -26.9826 -10.8622 -10.8622 -10.8526 -10.8526 -10.7306 -10.7306 -10.7178 -10.7178 -10.6271 -10.6271 -10.5714 -10.5714 -10.5625 -10.5625 -10.5065 -10.5065 -10.4486 -10.4486 -10.3825 -10.3825 -10.3798 -10.3798 -10.3592 -10.3592 -6.3834 -6.3834 -5.3254 -5.3254 -5.0766 -5.0766 -4.8858 -4.8858 -4.4101 -4.4101 -4.3738 -4.3738 -3.9299 -3.9299 0.6283 0.6283 2.2848 2.2848 2.4600 2.4600 2.5562 2.5562 3.0039 3.0039 3.1168 3.1168 5.2263 5.2263 5.4091 5.4091 6.1301 6.1301 6.2184 6.2184 7.4742 7.4742 7.5690 7.5690 k = 0.5000-0.4302-0.9429 ( 8062 PWs) bands (ev): -27.1383 -27.1383 -27.1382 -27.1382 -26.9828 -26.9828 -26.9826 -26.9826 -10.8621 -10.8621 -10.8527 -10.8527 -10.7306 -10.7306 -10.7178 -10.7178 -10.6272 -10.6272 -10.5717 -10.5717 -10.5623 -10.5623 -10.5064 -10.5064 -10.4486 -10.4486 -10.3827 -10.3827 -10.3796 -10.3796 -10.3592 -10.3592 -6.3830 -6.3830 -5.3264 -5.3264 -5.0766 -5.0766 -4.8857 -4.8857 -4.4101 -4.4101 -4.3738 -4.3738 -3.9293 -3.9293 0.6301 0.6301 2.2983 2.2983 2.4389 2.4389 2.5541 2.5541 3.0043 3.0043 3.1196 3.1196 5.2541 5.2541 5.3864 5.3864 6.1087 6.1087 6.2488 6.2488 7.4635 7.4635 7.5735 7.5735 k = 0.5000-0.4143-0.9689 ( 8062 PWs) bands (ev): -27.1383 -27.1383 -27.1383 -27.1383 -26.9830 -26.9830 -26.9824 -26.9824 -10.8620 -10.8620 -10.8528 -10.8528 -10.7305 -10.7305 -10.7178 -10.7178 -10.6271 -10.6271 -10.5721 -10.5721 -10.5619 -10.5619 -10.5064 -10.5064 -10.4485 -10.4485 -10.3839 -10.3839 -10.3787 -10.3787 -10.3591 -10.3591 -6.3826 -6.3826 -5.3277 -5.3277 -5.0766 -5.0766 -4.8856 -4.8856 -4.4101 -4.4101 -4.3738 -4.3738 -3.9287 -3.9287 0.6311 0.6311 2.3068 2.3068 2.4210 2.4210 2.5557 2.5557 3.0000 3.0000 3.1288 3.1288 5.2791 5.2791 5.3704 5.3704 6.0893 6.0893 6.2786 6.2786 7.4467 7.4467 7.5735 7.5735 k = 0.5000-0.3984-0.9948 ( 8060 PWs) bands (ev): -27.1383 -27.1383 -27.1382 -27.1382 -26.9833 -26.9833 -26.9822 -26.9822 -10.8618 -10.8618 -10.8528 -10.8528 -10.7302 -10.7302 -10.7177 -10.7177 -10.6269 -10.6269 -10.5727 -10.5727 -10.5614 -10.5614 -10.5067 -10.5067 -10.4482 -10.4482 -10.3853 -10.3853 -10.3777 -10.3777 -10.3591 -10.3591 -6.3824 -6.3824 -5.3292 -5.3292 -5.0766 -5.0766 -4.8856 -4.8856 -4.4101 -4.4101 -4.3738 -4.3738 -3.9283 -3.9283 0.6314 0.6314 2.3092 2.3092 2.4069 2.4069 2.5612 2.5612 2.9930 2.9930 3.1423 3.1423 5.2942 5.2942 5.3680 5.3680 6.0722 6.0722 6.3073 6.3073 7.4247 7.4247 7.5702 7.5702 k = 0.8115-0.3022-0.8053 ( 8060 PWs) bands (ev): -27.1383 -27.1383 -27.1382 -27.1382 -26.9833 -26.9833 -26.9822 -26.9822 -10.8618 -10.8618 -10.8528 -10.8528 -10.7302 -10.7302 -10.7177 -10.7177 -10.6269 -10.6269 -10.5727 -10.5727 -10.5614 -10.5614 -10.5067 -10.5067 -10.4482 -10.4482 -10.3853 -10.3853 -10.3777 -10.3777 -10.3591 -10.3591 -6.3824 -6.3824 -5.3292 -5.3292 -5.0766 -5.0766 -4.8856 -4.8856 -4.4101 -4.4101 -4.3738 -4.3738 -3.9283 -3.9283 0.6314 0.6314 2.3092 2.3092 2.4069 2.4069 2.5612 2.5612 2.9930 2.9930 3.1423 3.1423 5.2942 5.2942 5.3680 5.3680 6.0722 6.0722 6.3073 6.3073 7.4247 7.4247 7.5702 7.5702 k = 0.8023-0.2888-0.7788 ( 8066 PWs) bands (ev): -27.1384 -27.1384 -27.1382 -27.1382 -26.9835 -26.9835 -26.9819 -26.9819 -10.8616 -10.8616 -10.8529 -10.8529 -10.7299 -10.7299 -10.7175 -10.7175 -10.6266 -10.6266 -10.5734 -10.5734 -10.5608 -10.5608 -10.5071 -10.5071 -10.4477 -10.4477 -10.3868 -10.3868 -10.3767 -10.3767 -10.3590 -10.3590 -6.3823 -6.3823 -5.3309 -5.3309 -5.0766 -5.0766 -4.8855 -4.8855 -4.4101 -4.4101 -4.3738 -4.3738 -3.9281 -3.9281 0.6308 0.6308 2.3059 2.3059 2.3962 2.3962 2.5710 2.5710 2.9851 2.9851 3.1585 3.1585 5.2939 5.2939 5.3854 5.3854 6.0574 6.0574 6.3353 6.3353 7.3979 7.3979 7.5642 7.5642 k = 0.7932-0.2754-0.7524 ( 8062 PWs) bands (ev): -27.1384 -27.1384 -27.1382 -27.1382 -26.9837 -26.9837 -26.9817 -26.9817 -10.8613 -10.8613 -10.8530 -10.8530 -10.7294 -10.7294 -10.7172 -10.7172 -10.6261 -10.6261 -10.5741 -10.5741 -10.5602 -10.5602 -10.5077 -10.5077 -10.4472 -10.4472 -10.3885 -10.3885 -10.3758 -10.3758 -10.3589 -10.3589 -6.3822 -6.3822 -5.3330 -5.3330 -5.0766 -5.0766 -4.8855 -4.8855 -4.4100 -4.4100 -4.3738 -4.3738 -3.9281 -3.9281 0.6294 0.6294 2.2990 2.2990 2.3873 2.3873 2.5848 2.5848 2.9773 2.9773 3.1759 3.1759 5.2857 5.2857 5.4147 5.4147 6.0453 6.0453 6.3620 6.3620 7.3677 7.3677 7.5563 7.5563 k = 0.7840-0.2620-0.7259 ( 8064 PWs) bands (ev): -27.1385 -27.1385 -27.1381 -27.1381 -26.9840 -26.9840 -26.9814 -26.9814 -10.8611 -10.8611 -10.8530 -10.8530 -10.7288 -10.7288 -10.7167 -10.7167 -10.6256 -10.6256 -10.5749 -10.5749 -10.5596 -10.5596 -10.5084 -10.5084 -10.4465 -10.4465 -10.3902 -10.3902 -10.3750 -10.3750 -10.3588 -10.3588 -6.3823 -6.3823 -5.3353 -5.3353 -5.0766 -5.0766 -4.8855 -4.8855 -4.4100 -4.4100 -4.3738 -4.3738 -3.9282 -3.9282 0.6270 0.6270 2.2907 2.2907 2.3789 2.3789 2.6017 2.6017 2.9703 2.9703 3.1938 3.1938 5.2768 5.2768 5.4488 5.4488 6.0364 6.0364 6.3871 6.3871 7.3346 7.3346 7.5471 7.5471 k = 0.7748-0.2485-0.6994 ( 8060 PWs) bands (ev): -27.1386 -27.1386 -27.1381 -27.1381 -26.9842 -26.9842 -26.9811 -26.9811 -10.8608 -10.8608 -10.8530 -10.8530 -10.7282 -10.7282 -10.7161 -10.7161 -10.6249 -10.6249 -10.5757 -10.5757 -10.5590 -10.5590 -10.5093 -10.5093 -10.4457 -10.4457 -10.3920 -10.3920 -10.3742 -10.3742 -10.3588 -10.3588 -6.3826 -6.3826 -5.3380 -5.3380 -5.0766 -5.0766 -4.8855 -4.8855 -4.4100 -4.4100 -4.3738 -4.3738 -3.9285 -3.9285 0.6238 0.6238 2.2828 2.2828 2.3702 2.3702 2.6208 2.6208 2.9645 2.9645 3.2115 3.2115 5.2695 5.2695 5.4851 5.4851 6.0305 6.0305 6.4107 6.4107 7.2992 7.2992 7.5368 7.5368 k = 0.7657-0.2351-0.6729 ( 8050 PWs) bands (ev): -27.1386 -27.1386 -27.1381 -27.1381 -26.9844 -26.9844 -26.9808 -26.9808 -10.8606 -10.8606 -10.8530 -10.8530 -10.7275 -10.7275 -10.7151 -10.7151 -10.6241 -10.6241 -10.5764 -10.5764 -10.5584 -10.5584 -10.5103 -10.5103 -10.4449 -10.4449 -10.3937 -10.3937 -10.3736 -10.3736 -10.3588 -10.3588 -6.3829 -6.3829 -5.3409 -5.3409 -5.0765 -5.0765 -4.8856 -4.8856 -4.4100 -4.4100 -4.3738 -4.3738 -3.9290 -3.9290 0.6197 0.6197 2.2763 2.2763 2.3611 2.3611 2.6412 2.6412 2.9598 2.9598 3.2289 3.2289 5.2646 5.2646 5.5230 5.5230 6.0279 6.0279 6.4325 6.4325 7.2615 7.2615 7.5254 7.5254 k = 0.7565-0.2217-0.6465 ( 8042 PWs) bands (ev): -27.1387 -27.1387 -27.1381 -27.1381 -26.9846 -26.9846 -26.9806 -26.9806 -10.8604 -10.8604 -10.8528 -10.8528 -10.7268 -10.7268 -10.7140 -10.7140 -10.6233 -10.6233 -10.5772 -10.5772 -10.5579 -10.5579 -10.5114 -10.5114 -10.4440 -10.4440 -10.3955 -10.3955 -10.3730 -10.3730 -10.3588 -10.3588 -6.3834 -6.3834 -5.3441 -5.3441 -5.0765 -5.0765 -4.8857 -4.8857 -4.4099 -4.4099 -4.3738 -4.3738 -3.9297 -3.9297 0.6147 0.6147 2.2716 2.2716 2.3520 2.3520 2.6623 2.6623 2.9564 2.9564 3.2455 3.2455 5.2623 5.2623 5.5620 5.5620 6.0286 6.0286 6.4524 6.4524 7.2215 7.2215 7.5127 7.5127 k = 0.7473-0.2082-0.6200 ( 8044 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9849 -26.9849 -26.9803 -26.9803 -10.8603 -10.8603 -10.8526 -10.8526 -10.7261 -10.7261 -10.7125 -10.7125 -10.6223 -10.6223 -10.5779 -10.5779 -10.5574 -10.5574 -10.5126 -10.5126 -10.4430 -10.4430 -10.3973 -10.3973 -10.3725 -10.3725 -10.3588 -10.3588 -6.3840 -6.3840 -5.3476 -5.3476 -5.0765 -5.0765 -4.8858 -4.8858 -4.4099 -4.4099 -4.3738 -4.3738 -3.9306 -3.9306 0.6089 0.6089 2.2686 2.2686 2.3434 2.3434 2.6835 2.6835 2.9543 2.9543 3.2612 3.2612 5.2627 5.2627 5.6020 5.6020 6.0324 6.0324 6.4704 6.4704 7.1790 7.1790 7.4984 7.4984 k = 0.7382-0.1948-0.5935 ( 8046 PWs) bands (ev): -27.1389 -27.1389 -27.1380 -27.1380 -26.9851 -26.9851 -26.9800 -26.9800 -10.8602 -10.8602 -10.8523 -10.8523 -10.7254 -10.7254 -10.7107 -10.7107 -10.6214 -10.6214 -10.5787 -10.5787 -10.5569 -10.5569 -10.5140 -10.5140 -10.4420 -10.4420 -10.3992 -10.3992 -10.3721 -10.3721 -10.3589 -10.3589 -6.3848 -6.3848 -5.3514 -5.3514 -5.0765 -5.0765 -4.8859 -4.8859 -4.4099 -4.4099 -4.3739 -4.3739 -3.9317 -3.9317 0.6024 0.6024 2.2668 2.2668 2.3362 2.3362 2.7045 2.7045 2.9535 2.9535 3.2758 3.2758 5.2657 5.2657 5.6428 5.6428 6.0392 6.0392 6.4862 6.4862 7.1339 7.1339 7.4822 7.4822 k = 0.7290-0.1814-0.5670 ( 8050 PWs) bands (ev): -27.1390 -27.1390 -27.1380 -27.1380 -26.9853 -26.9853 -26.9797 -26.9797 -10.8601 -10.8601 -10.8520 -10.8520 -10.7247 -10.7247 -10.7087 -10.7087 -10.6203 -10.6203 -10.5794 -10.5794 -10.5564 -10.5564 -10.5154 -10.5154 -10.4410 -10.4410 -10.4010 -10.4010 -10.3718 -10.3718 -10.3590 -10.3590 -6.3857 -6.3857 -5.3554 -5.3554 -5.0765 -5.0765 -4.8861 -4.8861 -4.4099 -4.4099 -4.3739 -4.3739 -3.9330 -3.9330 0.5952 0.5952 2.2653 2.2653 2.3317 2.3317 2.7250 2.7250 2.9538 2.9538 3.2892 3.2892 5.2712 5.2712 5.6845 5.6845 6.0487 6.0487 6.4997 6.4997 7.0861 7.0861 7.4637 7.4637 k = 0.7199-0.1680-0.5406 ( 8048 PWs) bands (ev): -27.1391 -27.1391 -27.1380 -27.1380 -26.9855 -26.9855 -26.9794 -26.9794 -10.8601 -10.8601 -10.8515 -10.8515 -10.7240 -10.7240 -10.7064 -10.7064 -10.6193 -10.6193 -10.5801 -10.5801 -10.5560 -10.5560 -10.5169 -10.5169 -10.4399 -10.4399 -10.4028 -10.4028 -10.3715 -10.3715 -10.3591 -10.3591 -6.3867 -6.3867 -5.3597 -5.3597 -5.0765 -5.0765 -4.8863 -4.8863 -4.4098 -4.4098 -4.3739 -4.3739 -3.9346 -3.9346 0.5874 0.5874 2.2627 2.2627 2.3312 2.3312 2.7447 2.7447 2.9554 2.9554 3.3013 3.3013 5.2791 5.2791 5.7268 5.7268 6.0606 6.0606 6.5108 6.5108 7.0354 7.0354 7.4427 7.4427 k = 0.7107-0.1545-0.5141 ( 8052 PWs) bands (ev): -27.1392 -27.1392 -27.1380 -27.1380 -26.9857 -26.9857 -26.9791 -26.9791 -10.8602 -10.8602 -10.8510 -10.8510 -10.7232 -10.7232 -10.7039 -10.7039 -10.6182 -10.6182 -10.5808 -10.5808 -10.5555 -10.5555 -10.5186 -10.5186 -10.4389 -10.4389 -10.4046 -10.4046 -10.3714 -10.3714 -10.3592 -10.3592 -6.3878 -6.3878 -5.3642 -5.3642 -5.0765 -5.0765 -4.8865 -4.8865 -4.4098 -4.4098 -4.3740 -4.3740 -3.9363 -3.9363 0.5791 0.5791 2.2580 2.2580 2.3358 2.3358 2.7637 2.7637 2.9581 2.9581 3.3120 3.3120 5.2890 5.2890 5.7699 5.7699 6.0742 6.0742 6.5192 6.5192 6.9823 6.9823 7.4193 7.4193 k = 0.7015-0.1411-0.4876 ( 8054 PWs) bands (ev): -27.1393 -27.1393 -27.1381 -27.1381 -26.9859 -26.9859 -26.9789 -26.9789 -10.8602 -10.8602 -10.8504 -10.8504 -10.7224 -10.7224 -10.7012 -10.7012 -10.6171 -10.6171 -10.5815 -10.5815 -10.5551 -10.5551 -10.5203 -10.5203 -10.4378 -10.4378 -10.4063 -10.4063 -10.3712 -10.3712 -10.3594 -10.3594 -6.3891 -6.3891 -5.3689 -5.3689 -5.0765 -5.0765 -4.8868 -4.8868 -4.4097 -4.4097 -4.3740 -4.3740 -3.9381 -3.9381 0.5704 0.5704 2.2514 2.2514 2.3454 2.3454 2.7818 2.7818 2.9619 2.9619 3.3214 3.3214 5.3009 5.3009 5.8136 5.8136 6.0889 6.0889 6.5250 6.5250 6.9272 6.9272 7.3937 7.3937 k = 0.6924-0.1277-0.4612 ( 8052 PWs) bands (ev): -27.1393 -27.1393 -27.1381 -27.1381 -26.9861 -26.9861 -26.9786 -26.9786 -10.8603 -10.8603 -10.8499 -10.8499 -10.7215 -10.7215 -10.6983 -10.6983 -10.6161 -10.6161 -10.5821 -10.5821 -10.5547 -10.5547 -10.5220 -10.5220 -10.4367 -10.4367 -10.4081 -10.4081 -10.3711 -10.3711 -10.3596 -10.3596 -6.3905 -6.3905 -5.3737 -5.3737 -5.0765 -5.0765 -4.8870 -4.8870 -4.4097 -4.4097 -4.3740 -4.3740 -3.9401 -3.9401 0.5615 0.5615 2.2435 2.2435 2.3593 2.3593 2.7989 2.7989 2.9670 2.9670 3.3293 3.3293 5.3142 5.3142 5.8576 5.8576 6.1038 6.1038 6.5278 6.5278 6.8714 6.8714 7.3665 7.3665 k = 0.6832-0.1142-0.4347 ( 8050 PWs) bands (ev): -27.1394 -27.1394 -27.1381 -27.1381 -26.9863 -26.9863 -26.9783 -26.9783 -10.8604 -10.8604 -10.8492 -10.8492 -10.7205 -10.7205 -10.6953 -10.6953 -10.6151 -10.6151 -10.5826 -10.5826 -10.5544 -10.5544 -10.5238 -10.5238 -10.4357 -10.4357 -10.4098 -10.4098 -10.3711 -10.3711 -10.3599 -10.3599 -6.3919 -6.3919 -5.3788 -5.3788 -5.0765 -5.0765 -4.8873 -4.8873 -4.4096 -4.4096 -4.3741 -4.3741 -3.9423 -3.9423 0.5523 0.5523 2.2347 2.2347 2.3768 2.3768 2.8148 2.8148 2.9734 2.9734 3.3359 3.3359 5.3286 5.3286 5.9016 5.9016 6.1174 6.1174 6.5278 6.5278 6.8164 6.8164 7.3383 7.3383 k = 0.6741-0.1008-0.4082 ( 8048 PWs) bands (ev): -27.1395 -27.1395 -27.1381 -27.1381 -26.9865 -26.9865 -26.9780 -26.9780 -10.8605 -10.8605 -10.8486 -10.8486 -10.7194 -10.7194 -10.6922 -10.6922 -10.6141 -10.6141 -10.5831 -10.5831 -10.5540 -10.5540 -10.5257 -10.5257 -10.4347 -10.4347 -10.4114 -10.4114 -10.3712 -10.3712 -10.3601 -10.3601 -6.3935 -6.3935 -5.3839 -5.3839 -5.0764 -5.0764 -4.8876 -4.8876 -4.4096 -4.4096 -4.3741 -4.3741 -3.9445 -3.9445 0.5431 0.5431 2.2256 2.2256 2.3974 2.3974 2.8295 2.8295 2.9812 2.9812 3.3413 3.3413 5.3437 5.3437 5.9447 5.9447 6.1286 6.1286 6.5249 6.5249 6.7647 6.7647 7.3098 7.3098 k = 0.6649-0.0874-0.3817 ( 8040 PWs) bands (ev): -27.1396 -27.1396 -27.1381 -27.1381 -26.9866 -26.9866 -26.9777 -26.9777 -10.8606 -10.8606 -10.8480 -10.8480 -10.7182 -10.7182 -10.6890 -10.6890 -10.6132 -10.6132 -10.5835 -10.5835 -10.5537 -10.5537 -10.5276 -10.5276 -10.4337 -10.4337 -10.4130 -10.4130 -10.3713 -10.3713 -10.3603 -10.3603 -6.3951 -6.3951 -5.3891 -5.3891 -5.0764 -5.0764 -4.8879 -4.8879 -4.4095 -4.4095 -4.3742 -4.3742 -3.9469 -3.9469 0.5338 0.5338 2.2165 2.2165 2.4205 2.4205 2.8428 2.8428 2.9908 2.9908 3.3454 3.3454 5.3588 5.3588 5.9849 5.9849 6.1363 6.1363 6.5195 6.5195 6.7193 6.7193 7.2818 7.2818 k = 0.6557-0.0740-0.3553 ( 8044 PWs) bands (ev): -27.1397 -27.1397 -27.1382 -27.1382 -26.9868 -26.9868 -26.9775 -26.9775 -10.8607 -10.8607 -10.8475 -10.8475 -10.7169 -10.7169 -10.6858 -10.6858 -10.6124 -10.6124 -10.5839 -10.5839 -10.5534 -10.5534 -10.5295 -10.5295 -10.4328 -10.4328 -10.4145 -10.4145 -10.3715 -10.3715 -10.3605 -10.3605 -6.3968 -6.3968 -5.3943 -5.3943 -5.0764 -5.0764 -4.8883 -4.8883 -4.4095 -4.4095 -4.3742 -4.3742 -3.9493 -3.9493 0.5246 0.5246 2.2073 2.2073 2.4458 2.4458 2.8544 2.8544 3.0023 3.0023 3.3485 3.3485 5.3734 5.3734 6.0175 6.0175 6.1419 6.1419 6.5120 6.5120 6.6838 6.6838 7.2549 7.2549 k = 0.6466-0.0605-0.3288 ( 8030 PWs) bands (ev): -27.1398 -27.1398 -27.1382 -27.1382 -26.9869 -26.9869 -26.9772 -26.9772 -10.8607 -10.8607 -10.8469 -10.8469 -10.7155 -10.7155 -10.6825 -10.6825 -10.6117 -10.6117 -10.5842 -10.5842 -10.5531 -10.5531 -10.5314 -10.5314 -10.4319 -10.4319 -10.4159 -10.4159 -10.3719 -10.3719 -10.3607 -10.3607 -6.3985 -6.3985 -5.3995 -5.3995 -5.0764 -5.0764 -4.8886 -4.8886 -4.4094 -4.4094 -4.3742 -4.3742 -3.9518 -3.9518 0.5156 0.5156 2.1984 2.1984 2.4729 2.4729 2.8643 2.8643 3.0159 3.0159 3.3506 3.3506 5.3868 5.3868 6.0319 6.0319 6.1531 6.1531 6.5030 6.5030 6.6616 6.6616 7.2297 7.2297 k = 0.6374-0.0471-0.3023 ( 8038 PWs) bands (ev): -27.1399 -27.1399 -27.1382 -27.1382 -26.9871 -26.9871 -26.9770 -26.9770 -10.8608 -10.8608 -10.8464 -10.8464 -10.7140 -10.7140 -10.6793 -10.6793 -10.6110 -10.6110 -10.5844 -10.5844 -10.5529 -10.5529 -10.5334 -10.5334 -10.4311 -10.4311 -10.4171 -10.4171 -10.3723 -10.3723 -10.3608 -10.3608 -6.4003 -6.4003 -5.4047 -5.4047 -5.0764 -5.0764 -4.8890 -4.8890 -4.4094 -4.4094 -4.3743 -4.3743 -3.9543 -3.9543 0.5068 0.5068 2.1897 2.1897 2.5014 2.5014 2.8725 2.8725 3.0315 3.0315 3.3519 3.3519 5.3983 5.3983 6.0190 6.0190 6.1773 6.1773 6.4929 6.4929 6.6545 6.6545 7.2065 7.2065 k = 0.6283-0.0337-0.2759 ( 8042 PWs) bands (ev): -27.1400 -27.1400 -27.1383 -27.1383 -26.9872 -26.9872 -26.9768 -26.9768 -10.8608 -10.8608 -10.8459 -10.8459 -10.7125 -10.7125 -10.6761 -10.6761 -10.6104 -10.6104 -10.5845 -10.5845 -10.5528 -10.5528 -10.5353 -10.5353 -10.4305 -10.4305 -10.4181 -10.4181 -10.3730 -10.3730 -10.3608 -10.3608 -6.4020 -6.4020 -5.4098 -5.4098 -5.0764 -5.0764 -4.8893 -4.8893 -4.4093 -4.4093 -4.3744 -4.3744 -3.9567 -3.9567 0.4983 0.4983 2.1813 2.1813 2.5311 2.5311 2.8791 2.8791 3.0489 3.0489 3.3527 3.3527 5.4073 5.4073 5.9839 5.9839 6.2101 6.2101 6.4828 6.4828 6.6624 6.6624 7.1857 7.1857 k = 0.6191-0.0202-0.2494 ( 8042 PWs) bands (ev): -27.1401 -27.1401 -27.1383 -27.1383 -26.9873 -26.9873 -26.9765 -26.9765 -10.8608 -10.8608 -10.8455 -10.8455 -10.7109 -10.7109 -10.6730 -10.6730 -10.6099 -10.6099 -10.5845 -10.5845 -10.5527 -10.5527 -10.5371 -10.5371 -10.4300 -10.4300 -10.4188 -10.4188 -10.3737 -10.3737 -10.3607 -10.3607 -6.4037 -6.4037 -5.4147 -5.4147 -5.0764 -5.0764 -4.8897 -4.8897 -4.4093 -4.4093 -4.3744 -4.3744 -3.9592 -3.9592 0.4902 0.4902 2.1733 2.1733 2.5613 2.5613 2.8845 2.8845 3.0680 3.0680 3.3529 3.3529 5.4130 5.4130 5.9353 5.9353 6.2446 6.2446 6.4736 6.4736 6.6836 6.6836 7.1672 7.1672 k = 0.6099-0.0068-0.2229 ( 8038 PWs) bands (ev): -27.1402 -27.1402 -27.1383 -27.1383 -26.9875 -26.9875 -26.9763 -26.9763 -10.8608 -10.8608 -10.8450 -10.8450 -10.7092 -10.7092 -10.6701 -10.6701 -10.6094 -10.6094 -10.5846 -10.5846 -10.5527 -10.5527 -10.5389 -10.5389 -10.4298 -10.4298 -10.4191 -10.4191 -10.3747 -10.3747 -10.3606 -10.3606 -6.4054 -6.4054 -5.4195 -5.4195 -5.0764 -5.0764 -4.8900 -4.8900 -4.4092 -4.4092 -4.3745 -4.3745 -3.9616 -3.9616 0.4825 0.4825 2.1656 2.1656 2.5918 2.5918 2.8888 2.8888 3.0882 3.0882 3.3530 3.3530 5.4151 5.4151 5.8787 5.8787 6.2775 6.2775 6.4668 6.4668 6.7158 6.7158 7.1510 7.1510 k = 0.6008 0.0066-0.1964 ( 8036 PWs) bands (ev): -27.1402 -27.1402 -27.1384 -27.1384 -26.9876 -26.9876 -26.9761 -26.9761 -10.8608 -10.8608 -10.8447 -10.8447 -10.7076 -10.7076 -10.6673 -10.6673 -10.6089 -10.6089 -10.5846 -10.5846 -10.5527 -10.5527 -10.5406 -10.5406 -10.4300 -10.4300 -10.4191 -10.4191 -10.3758 -10.3758 -10.3603 -10.3603 -6.4071 -6.4071 -5.4241 -5.4241 -5.0764 -5.0764 -4.8904 -4.8904 -4.4092 -4.4092 -4.3745 -4.3745 -3.9639 -3.9639 0.4752 0.4752 2.1584 2.1584 2.6220 2.6220 2.8926 2.8926 3.1090 3.1090 3.3531 3.3531 5.4131 5.4131 5.8181 5.8181 6.3068 6.3068 6.4637 6.4637 6.7568 6.7568 7.1371 7.1371 k = 0.5916 0.0200-0.1700 ( 8028 PWs) bands (ev): -27.1403 -27.1403 -27.1384 -27.1384 -26.9877 -26.9877 -26.9759 -26.9759 -10.8608 -10.8608 -10.8443 -10.8443 -10.7059 -10.7059 -10.6647 -10.6647 -10.6083 -10.6083 -10.5846 -10.5846 -10.5528 -10.5528 -10.5422 -10.5422 -10.4304 -10.4304 -10.4186 -10.4186 -10.3770 -10.3770 -10.3600 -10.3600 -6.4087 -6.4087 -5.4284 -5.4284 -5.0764 -5.0764 -4.8907 -4.8907 -4.4091 -4.4091 -4.3745 -4.3745 -3.9661 -3.9661 0.4685 0.4685 2.1516 2.1516 2.6513 2.6513 2.8961 2.8961 3.1300 3.1300 3.3534 3.3534 5.4071 5.4071 5.7561 5.7561 6.3315 6.3315 6.4649 6.4649 6.8049 6.8049 7.1251 7.1251 k = 0.5824 0.0335-0.1435 ( 8040 PWs) bands (ev): -27.1404 -27.1404 -27.1385 -27.1385 -26.9877 -26.9877 -26.9758 -26.9758 -10.8607 -10.8607 -10.8441 -10.8441 -10.7043 -10.7043 -10.6624 -10.6624 -10.6077 -10.6077 -10.5847 -10.5847 -10.5531 -10.5531 -10.5437 -10.5437 -10.4309 -10.4309 -10.4178 -10.4178 -10.3783 -10.3783 -10.3597 -10.3597 -6.4102 -6.4102 -5.4324 -5.4324 -5.0765 -5.0765 -4.8910 -4.8910 -4.4091 -4.4091 -4.3746 -4.3746 -3.9682 -3.9682 0.4622 0.4622 2.1453 2.1453 2.6790 2.6790 2.8997 2.8997 3.1506 3.1506 3.3542 3.3542 5.3975 5.3975 5.6948 5.6948 6.3516 6.3516 6.4707 6.4707 6.8586 6.8586 7.1150 7.1150 k = 0.5733 0.0469-0.1170 ( 8044 PWs) bands (ev): -27.1405 -27.1405 -27.1385 -27.1385 -26.9878 -26.9878 -26.9756 -26.9756 -10.8607 -10.8607 -10.8438 -10.8438 -10.7027 -10.7027 -10.6603 -10.6603 -10.6071 -10.6071 -10.5848 -10.5848 -10.5534 -10.5534 -10.5449 -10.5449 -10.4316 -10.4316 -10.4169 -10.4169 -10.3797 -10.3797 -10.3594 -10.3594 -6.4116 -6.4116 -5.4361 -5.4361 -5.0765 -5.0765 -4.8913 -4.8913 -4.4091 -4.4091 -4.3747 -4.3747 -3.9701 -3.9701 0.4566 0.4566 2.1396 2.1396 2.7046 2.7046 2.9037 2.9037 3.1700 3.1700 3.3558 3.3558 5.3849 5.3849 5.6358 5.6358 6.3677 6.3677 6.4803 6.4803 6.9165 6.9165 7.1064 7.1064 k = 0.5641 0.0603-0.0905 ( 8046 PWs) bands (ev): -27.1405 -27.1405 -27.1385 -27.1385 -26.9879 -26.9879 -26.9755 -26.9755 -10.8606 -10.8606 -10.8436 -10.8436 -10.7012 -10.7012 -10.6585 -10.6585 -10.6063 -10.6063 -10.5851 -10.5851 -10.5537 -10.5537 -10.5460 -10.5460 -10.4323 -10.4323 -10.4157 -10.4157 -10.3811 -10.3811 -10.3590 -10.3590 -6.4128 -6.4128 -5.4395 -5.4395 -5.0765 -5.0765 -4.8916 -4.8916 -4.4091 -4.4091 -4.3747 -4.3747 -3.9718 -3.9718 0.4516 0.4516 2.1345 2.1345 2.7275 2.7275 2.9085 2.9085 3.1876 3.1876 3.3584 3.3584 5.3701 5.3701 5.5805 5.5805 6.3809 6.3809 6.4919 6.4919 6.9774 6.9774 7.0992 7.0992 k = 0.5550 0.0737-0.0641 ( 8048 PWs) bands (ev): -27.1406 -27.1406 -27.1385 -27.1385 -26.9880 -26.9880 -26.9753 -26.9753 -10.8606 -10.8606 -10.8434 -10.8434 -10.6998 -10.6998 -10.6570 -10.6570 -10.6055 -10.6055 -10.5854 -10.5854 -10.5541 -10.5541 -10.5469 -10.5469 -10.4330 -10.4330 -10.4145 -10.4145 -10.3826 -10.3826 -10.3587 -10.3587 -6.4140 -6.4140 -5.4425 -5.4425 -5.0765 -5.0765 -4.8918 -4.8918 -4.4090 -4.4090 -4.3747 -4.3747 -3.9734 -3.9734 0.4471 0.4471 2.1299 2.1299 2.7470 2.7470 2.9141 2.9141 3.2029 3.2029 3.3620 3.3620 5.3542 5.3542 5.5300 5.5300 6.3922 6.3922 6.5043 6.5043 7.0401 7.0401 7.0933 7.0933 k = 0.5458 0.0872-0.0376 ( 8050 PWs) bands (ev): -27.1406 -27.1406 -27.1386 -27.1386 -26.9880 -26.9880 -26.9752 -26.9752 -10.8605 -10.8605 -10.8433 -10.8433 -10.6986 -10.6986 -10.6557 -10.6557 -10.6046 -10.6046 -10.5858 -10.5858 -10.5545 -10.5545 -10.5476 -10.5476 -10.4336 -10.4336 -10.4133 -10.4133 -10.3840 -10.3840 -10.3584 -10.3584 -6.4149 -6.4149 -5.4450 -5.4450 -5.0765 -5.0765 -4.8920 -4.8920 -4.4090 -4.4090 -4.3748 -4.3748 -3.9747 -3.9747 0.4434 0.4434 2.1260 2.1260 2.7628 2.7628 2.9204 2.9204 3.2156 3.2156 3.3666 3.3666 5.3383 5.3383 5.4854 5.4854 6.4021 6.4021 6.5161 6.5161 7.0883 7.0883 7.1037 7.1037 k = 0.5366 0.1006-0.0111 ( 8062 PWs) bands (ev): -27.1407 -27.1407 -27.1386 -27.1386 -26.9881 -26.9881 -26.9752 -26.9752 -10.8605 -10.8605 -10.8431 -10.8431 -10.6976 -10.6976 -10.6548 -10.6548 -10.6037 -10.6037 -10.5863 -10.5863 -10.5549 -10.5549 -10.5482 -10.5482 -10.4341 -10.4341 -10.4121 -10.4121 -10.3854 -10.3854 -10.3581 -10.3581 -6.4158 -6.4158 -5.4472 -5.4472 -5.0766 -5.0766 -4.8922 -4.8922 -4.4090 -4.4090 -4.3748 -4.3748 -3.9758 -3.9758 0.4403 0.4403 2.1228 2.1228 2.7751 2.7751 2.9270 2.9270 3.2254 3.2254 3.3717 3.3717 5.3235 5.3235 5.4475 5.4475 6.4107 6.4107 6.5266 6.5266 7.0846 7.0846 7.1657 7.1657 k = 0.5275 0.1140 0.0153 ( 8086 PWs) bands (ev): -27.1407 -27.1407 -27.1386 -27.1386 -26.9881 -26.9881 -26.9751 -26.9751 -10.8605 -10.8605 -10.8431 -10.8431 -10.6967 -10.6967 -10.6540 -10.6540 -10.6028 -10.6028 -10.5869 -10.5869 -10.5552 -10.5552 -10.5486 -10.5486 -10.4345 -10.4345 -10.4111 -10.4111 -10.3866 -10.3866 -10.3579 -10.3579 -6.4164 -6.4164 -5.4489 -5.4489 -5.0766 -5.0766 -4.8923 -4.8923 -4.4090 -4.4090 -4.3749 -4.3749 -3.9767 -3.9767 0.4378 0.4378 2.1203 2.1203 2.7839 2.7839 2.9333 2.9333 3.2326 3.2326 3.3768 3.3768 5.3109 5.3109 5.4171 5.4171 6.4178 6.4178 6.5352 6.5352 7.0817 7.0817 7.2244 7.2244 k = 0.5183 0.1275 0.0418 ( 8090 PWs) bands (ev): -27.1408 -27.1408 -27.1386 -27.1386 -26.9882 -26.9882 -26.9751 -26.9751 -10.8604 -10.8604 -10.8430 -10.8430 -10.6961 -10.6961 -10.6535 -10.6535 -10.6021 -10.6021 -10.5873 -10.5873 -10.5554 -10.5554 -10.5489 -10.5489 -10.4349 -10.4349 -10.4102 -10.4102 -10.3875 -10.3875 -10.3577 -10.3577 -6.4169 -6.4169 -5.4501 -5.4501 -5.0766 -5.0766 -4.8924 -4.8924 -4.4090 -4.4090 -4.3749 -4.3749 -3.9774 -3.9774 0.4361 0.4361 2.1185 2.1185 2.7898 2.7898 2.9385 2.9385 3.2374 3.2374 3.3811 3.3811 5.3012 5.3012 5.3949 5.3949 6.4231 6.4231 6.5416 6.5416 7.0797 7.0797 7.2757 7.2757 k = 0.5092 0.1409 0.0683 ( 8090 PWs) bands (ev): -27.1408 -27.1408 -27.1386 -27.1386 -26.9882 -26.9882 -26.9750 -26.9750 -10.8604 -10.8604 -10.8430 -10.8430 -10.6957 -10.6957 -10.6532 -10.6532 -10.6016 -10.6016 -10.5877 -10.5877 -10.5555 -10.5555 -10.5491 -10.5491 -10.4350 -10.4350 -10.4097 -10.4097 -10.3881 -10.3881 -10.3577 -10.3577 -6.4172 -6.4172 -5.4508 -5.4508 -5.0766 -5.0766 -4.8925 -4.8925 -4.4090 -4.4090 -4.3749 -4.3749 -3.9778 -3.9778 0.4351 0.4351 2.1174 2.1174 2.7932 2.7932 2.9420 2.9420 3.2401 3.2401 3.3840 3.3840 5.2952 5.2952 5.3813 5.3813 6.4263 6.4263 6.5456 6.5456 7.0785 7.0785 7.3130 7.3130 k = 0.5000 0.1543 0.0948 ( 8094 PWs) bands (ev): -27.1408 -27.1408 -27.1386 -27.1386 -26.9882 -26.9882 -26.9750 -26.9750 -10.8604 -10.8604 -10.8430 -10.8430 -10.6956 -10.6956 -10.6531 -10.6531 -10.6014 -10.6014 -10.5878 -10.5878 -10.5556 -10.5556 -10.5491 -10.5491 -10.4351 -10.4351 -10.4094 -10.4094 -10.3883 -10.3883 -10.3576 -10.3576 -6.4173 -6.4173 -5.4510 -5.4510 -5.0766 -5.0766 -4.8925 -4.8925 -4.4090 -4.4090 -4.3749 -4.3749 -3.9779 -3.9779 0.4347 0.4347 2.1170 2.1170 2.7942 2.7942 2.9432 2.9432 3.2410 3.2410 3.3850 3.3850 5.2931 5.2931 5.3768 5.3768 6.4274 6.4274 6.5469 6.5469 7.0781 7.0781 7.3272 7.3272 k = 0.5000 0.1543 0.0948 ( 8094 PWs) bands (ev): -27.1408 -27.1408 -27.1386 -27.1386 -26.9882 -26.9882 -26.9750 -26.9750 -10.8604 -10.8604 -10.8430 -10.8430 -10.6956 -10.6956 -10.6531 -10.6531 -10.6014 -10.6014 -10.5878 -10.5878 -10.5556 -10.5556 -10.5491 -10.5491 -10.4351 -10.4351 -10.4094 -10.4094 -10.3883 -10.3883 -10.3576 -10.3576 -6.4173 -6.4173 -5.4510 -5.4510 -5.0766 -5.0766 -4.8925 -4.8925 -4.4090 -4.4090 -4.3749 -4.3749 -3.9779 -3.9779 0.4347 0.4347 2.1170 2.1170 2.7942 2.7942 2.9432 2.9432 3.2410 3.2410 3.3850 3.3850 5.2931 5.2931 5.3768 5.3768 6.4274 6.4274 6.5469 6.5469 7.0781 7.0781 7.3272 7.3272 k = 0.4706 0.1452 0.0892 ( 8082 PWs) bands (ev): -27.1408 -27.1408 -27.1386 -27.1386 -26.9882 -26.9882 -26.9750 -26.9750 -10.8604 -10.8604 -10.8429 -10.8429 -10.6956 -10.6956 -10.6531 -10.6531 -10.6014 -10.6014 -10.5878 -10.5878 -10.5556 -10.5556 -10.5490 -10.5490 -10.4351 -10.4351 -10.4095 -10.4095 -10.3883 -10.3883 -10.3576 -10.3576 -6.4175 -6.4175 -5.4504 -5.4504 -5.0766 -5.0766 -4.8926 -4.8926 -4.4090 -4.4090 -4.3749 -4.3749 -3.9782 -3.9782 0.4339 0.4339 2.1199 2.1199 2.7940 2.7940 2.9429 2.9429 3.2413 3.2413 3.3853 3.3853 5.2343 5.2343 5.4333 5.4333 6.4274 6.4274 6.5468 6.5468 7.0807 7.0807 7.3289 7.3289 k = 0.4412 0.1362 0.0836 ( 8079 PWs) bands (ev): -27.1408 -27.1408 -27.1386 -27.1386 -26.9882 -26.9882 -26.9750 -26.9750 -10.8604 -10.8604 -10.8429 -10.8429 -10.6958 -10.6958 -10.6529 -10.6529 -10.6015 -10.6015 -10.5878 -10.5878 -10.5559 -10.5559 -10.5488 -10.5488 -10.4352 -10.4352 -10.4095 -10.4095 -10.3882 -10.3882 -10.3576 -10.3576 -6.4184 -6.4184 -5.4487 -5.4487 -5.0766 -5.0766 -4.8927 -4.8927 -4.4090 -4.4090 -4.3749 -4.3749 -3.9792 -3.9792 0.4316 0.4316 2.1285 2.1285 2.7934 2.7934 2.9421 2.9421 3.2421 3.2421 3.3862 3.3862 5.1454 5.1454 5.5153 5.5153 6.4272 6.4272 6.5466 6.5466 7.0884 7.0884 7.3340 7.3340 k = 0.4118 0.1271 0.0780 ( 8052 PWs) bands (ev): -27.1408 -27.1408 -27.1386 -27.1386 -26.9882 -26.9882 -26.9750 -26.9750 -10.8604 -10.8604 -10.8429 -10.8429 -10.6961 -10.6961 -10.6525 -10.6525 -10.6015 -10.6015 -10.5879 -10.5879 -10.5562 -10.5562 -10.5484 -10.5484 -10.4353 -10.4353 -10.4096 -10.4096 -10.3881 -10.3881 -10.3575 -10.3575 -6.4197 -6.4197 -5.4457 -5.4457 -5.0766 -5.0766 -4.8929 -4.8929 -4.4090 -4.4090 -4.3749 -4.3749 -3.9808 -3.9808 0.4279 0.4279 2.1427 2.1427 2.7925 2.7925 2.9409 2.9409 3.2434 3.2434 3.3877 3.3877 5.0524 5.0524 5.5974 5.5974 6.4268 6.4268 6.5461 6.5461 7.1001 7.1001 7.3424 7.3424 k = 0.3824 0.1180 0.0725 ( 8043 PWs) bands (ev): -27.1408 -27.1408 -27.1386 -27.1386 -26.9882 -26.9882 -26.9749 -26.9749 -10.8604 -10.8604 -10.8429 -10.8429 -10.6964 -10.6964 -10.6520 -10.6520 -10.6015 -10.6015 -10.5879 -10.5879 -10.5566 -10.5566 -10.5480 -10.5480 -10.4354 -10.4354 -10.4097 -10.4097 -10.3879 -10.3879 -10.3575 -10.3575 -6.4214 -6.4214 -5.4418 -5.4418 -5.0766 -5.0766 -4.8933 -4.8933 -4.4089 -4.4089 -4.3749 -4.3749 -3.9831 -3.9831 0.4230 0.4230 2.1620 2.1620 2.7912 2.7912 2.9393 2.9393 3.2451 3.2451 3.3897 3.3897 4.9579 4.9579 5.6775 5.6775 6.4264 6.4264 6.5455 6.5455 7.1143 7.1143 7.3542 7.3542 k = 0.3529 0.1089 0.0669 ( 8052 PWs) bands (ev): -27.1408 -27.1408 -27.1386 -27.1386 -26.9882 -26.9882 -26.9750 -26.9750 -10.8604 -10.8604 -10.8429 -10.8429 -10.6969 -10.6969 -10.6514 -10.6514 -10.6016 -10.6016 -10.5880 -10.5880 -10.5571 -10.5571 -10.5474 -10.5474 -10.4356 -10.4356 -10.4098 -10.4098 -10.3877 -10.3877 -10.3574 -10.3574 -6.4236 -6.4236 -5.4370 -5.4370 -5.0766 -5.0766 -4.8937 -4.8937 -4.4089 -4.4089 -4.3749 -4.3749 -3.9858 -3.9858 0.4170 0.4170 2.1861 2.1861 2.7897 2.7897 2.9373 2.9373 3.2473 3.2473 3.3922 3.3922 4.8633 4.8633 5.7552 5.7552 6.4259 6.4259 6.5448 6.5448 7.1291 7.1291 7.3691 7.3691 k = 0.3235 0.0998 0.0613 ( 8022 PWs) bands (ev): -27.1408 -27.1408 -27.1385 -27.1385 -26.9882 -26.9882 -26.9749 -26.9749 -10.8604 -10.8604 -10.8428 -10.8428 -10.6974 -10.6974 -10.6507 -10.6507 -10.6016 -10.6016 -10.5881 -10.5881 -10.5575 -10.5575 -10.5469 -10.5469 -10.4358 -10.4358 -10.4099 -10.4099 -10.3874 -10.3874 -10.3574 -10.3574 -6.4261 -6.4261 -5.4314 -5.4314 -5.0765 -5.0765 -4.8941 -4.8941 -4.4089 -4.4089 -4.3748 -4.3748 -3.9890 -3.9890 0.4102 0.4102 2.2143 2.2143 2.7880 2.7880 2.9350 2.9350 3.2497 3.2497 3.3950 3.3950 4.7695 4.7695 5.8305 5.8305 6.4254 6.4254 6.5440 6.5440 7.1421 7.1421 7.3869 7.3869 k = 0.2941 0.0908 0.0557 ( 8022 PWs) bands (ev): -27.1408 -27.1408 -27.1385 -27.1385 -26.9882 -26.9882 -26.9749 -26.9749 -10.8604 -10.8604 -10.8428 -10.8428 -10.6979 -10.6979 -10.6500 -10.6500 -10.6017 -10.6017 -10.5883 -10.5883 -10.5580 -10.5580 -10.5464 -10.5464 -10.4361 -10.4361 -10.4100 -10.4100 -10.3871 -10.3871 -10.3573 -10.3573 -6.4288 -6.4288 -5.4253 -5.4253 -5.0765 -5.0765 -4.8947 -4.8947 -4.4089 -4.4089 -4.3748 -4.3748 -3.9925 -3.9925 0.4029 0.4029 2.2459 2.2459 2.7862 2.7862 2.9325 2.9325 3.2524 3.2524 3.3981 3.3981 4.6774 4.6774 5.9037 5.9037 6.4249 6.4249 6.5431 6.5431 7.1510 7.1510 7.4073 7.4073 k = 0.2647 0.0817 0.0502 ( 8034 PWs) bands (ev): -27.1408 -27.1408 -27.1385 -27.1385 -26.9882 -26.9882 -26.9749 -26.9749 -10.8604 -10.8604 -10.8428 -10.8428 -10.6985 -10.6985 -10.6492 -10.6492 -10.6018 -10.6018 -10.5884 -10.5884 -10.5585 -10.5585 -10.5458 -10.5458 -10.4363 -10.4363 -10.4102 -10.4102 -10.3868 -10.3868 -10.3572 -10.3572 -6.4316 -6.4316 -5.4189 -5.4189 -5.0766 -5.0766 -4.8953 -4.8953 -4.4089 -4.4089 -4.3749 -4.3749 -3.9962 -3.9962 0.3953 0.3953 2.2802 2.2802 2.7844 2.7844 2.9300 2.9300 3.2551 3.2551 3.4012 3.4012 4.5880 4.5880 5.9750 5.9750 6.4245 6.4245 6.5422 6.5422 7.1539 7.1539 7.4296 7.4296 k = 0.2353 0.0726 0.0446 ( 8025 PWs) bands (ev): -27.1408 -27.1408 -27.1385 -27.1385 -26.9882 -26.9882 -26.9749 -26.9749 -10.8604 -10.8604 -10.8428 -10.8428 -10.6990 -10.6990 -10.6485 -10.6485 -10.6019 -10.6019 -10.5885 -10.5885 -10.5589 -10.5589 -10.5453 -10.5453 -10.4366 -10.4366 -10.4103 -10.4103 -10.3865 -10.3865 -10.3571 -10.3571 -6.4344 -6.4344 -5.4123 -5.4123 -5.0765 -5.0765 -4.8960 -4.8960 -4.4089 -4.4089 -4.3749 -4.3749 -4.0000 -4.0000 0.3878 0.3878 2.3162 2.3162 2.7828 2.7828 2.9274 2.9274 3.2579 3.2579 3.4044 3.4044 4.5024 4.5024 6.0445 6.0445 6.4241 6.4241 6.5414 6.5414 7.1491 7.1491 7.4531 7.4531 k = 0.2059 0.0635 0.0390 ( 8049 PWs) bands (ev): -27.1409 -27.1409 -27.1385 -27.1385 -26.9882 -26.9882 -26.9750 -26.9750 -10.8604 -10.8604 -10.8428 -10.8428 -10.6996 -10.6996 -10.6478 -10.6478 -10.6020 -10.6020 -10.5886 -10.5886 -10.5593 -10.5593 -10.5449 -10.5449 -10.4368 -10.4368 -10.4105 -10.4105 -10.3862 -10.3862 -10.3571 -10.3571 -6.4372 -6.4372 -5.4059 -5.4059 -5.0766 -5.0766 -4.8966 -4.8966 -4.4089 -4.4089 -4.3749 -4.3749 -4.0038 -4.0038 0.3805 0.3805 2.3528 2.3528 2.7813 2.7813 2.9249 2.9249 3.2606 3.2606 3.4075 3.4075 4.4217 4.4217 6.1122 6.1122 6.4239 6.4239 6.5406 6.5406 7.1359 7.1359 7.4770 7.4770 k = 0.1765 0.0545 0.0334 ( 8048 PWs) bands (ev): -27.1409 -27.1409 -27.1385 -27.1385 -26.9882 -26.9882 -26.9750 -26.9750 -10.8604 -10.8604 -10.8427 -10.8427 -10.7001 -10.7001 -10.6471 -10.6471 -10.6021 -10.6021 -10.5887 -10.5887 -10.5596 -10.5596 -10.5445 -10.5445 -10.4370 -10.4370 -10.4107 -10.4107 -10.3860 -10.3860 -10.3570 -10.3570 -6.4398 -6.4398 -5.3997 -5.3997 -5.0766 -5.0766 -4.8973 -4.8973 -4.4089 -4.4089 -4.3749 -4.3749 -4.0073 -4.0073 0.3737 0.3737 2.3888 2.3888 2.7801 2.7801 2.9226 2.9226 3.2632 3.2632 3.4105 3.4105 4.3472 4.3472 6.1777 6.1777 6.4238 6.4238 6.5398 6.5398 7.1145 7.1145 7.5006 7.5006 k = 0.1471 0.0454 0.0279 ( 8066 PWs) bands (ev): -27.1409 -27.1409 -27.1385 -27.1385 -26.9882 -26.9882 -26.9750 -26.9750 -10.8605 -10.8605 -10.8427 -10.8427 -10.7005 -10.7005 -10.6465 -10.6465 -10.6022 -10.6022 -10.5888 -10.5888 -10.5599 -10.5599 -10.5441 -10.5441 -10.4372 -10.4372 -10.4108 -10.4108 -10.3857 -10.3857 -10.3569 -10.3569 -6.4422 -6.4422 -5.3941 -5.3941 -5.0766 -5.0766 -4.8979 -4.8979 -4.4089 -4.4089 -4.3749 -4.3749 -4.0106 -4.0106 0.3677 0.3677 2.4229 2.4229 2.7792 2.7792 2.9204 2.9204 3.2655 3.2655 3.4131 3.4131 4.2802 4.2802 6.2403 6.2403 6.4240 6.4240 6.5392 6.5392 7.0861 7.0861 7.5229 7.5229 k = 0.1176 0.0363 0.0223 ( 8069 PWs) bands (ev): -27.1409 -27.1409 -27.1385 -27.1385 -26.9882 -26.9882 -26.9750 -26.9750 -10.8605 -10.8605 -10.8427 -10.8427 -10.7009 -10.7009 -10.6459 -10.6459 -10.6023 -10.6023 -10.5889 -10.5889 -10.5602 -10.5602 -10.5438 -10.5438 -10.4374 -10.4374 -10.4109 -10.4109 -10.3855 -10.3855 -10.3569 -10.3569 -6.4442 -6.4442 -5.3892 -5.3892 -5.0766 -5.0766 -4.8984 -4.8984 -4.4089 -4.4089 -4.3749 -4.3749 -4.0135 -4.0135 0.3625 0.3625 2.4535 2.4535 2.7788 2.7788 2.9186 2.9186 3.2675 3.2675 3.4154 3.4154 4.2223 4.2223 6.2984 6.2984 6.4247 6.4247 6.5387 6.5387 7.0530 7.0530 7.5430 7.5430 k = 0.0882 0.0272 0.0167 ( 8072 PWs) bands (ev): -27.1409 -27.1409 -27.1385 -27.1385 -26.9882 -26.9882 -26.9750 -26.9750 -10.8605 -10.8605 -10.8427 -10.8427 -10.7012 -10.7012 -10.6455 -10.6455 -10.6023 -10.6023 -10.5890 -10.5890 -10.5604 -10.5604 -10.5436 -10.5436 -10.4376 -10.4376 -10.4110 -10.4110 -10.3853 -10.3853 -10.3568 -10.3568 -6.4458 -6.4458 -5.3852 -5.3852 -5.0766 -5.0766 -4.8989 -4.8989 -4.4089 -4.4089 -4.3749 -4.3749 -4.0158 -4.0158 0.3583 0.3583 2.4793 2.4793 2.7786 2.7786 2.9172 2.9172 3.2691 3.2691 3.4172 3.4172 4.1751 4.1751 6.3491 6.3491 6.4267 6.4267 6.5383 6.5383 7.0186 7.0186 7.5600 7.5600 k = 0.0588 0.0182 0.0111 ( 8063 PWs) bands (ev): -27.1409 -27.1409 -27.1385 -27.1385 -26.9882 -26.9882 -26.9750 -26.9750 -10.8605 -10.8605 -10.8427 -10.8427 -10.7014 -10.7014 -10.6452 -10.6452 -10.6024 -10.6024 -10.5891 -10.5891 -10.5605 -10.5605 -10.5434 -10.5434 -10.4377 -10.4377 -10.4111 -10.4111 -10.3852 -10.3852 -10.3568 -10.3568 -6.4470 -6.4470 -5.3822 -5.3822 -5.0766 -5.0766 -4.8992 -4.8992 -4.4089 -4.4089 -4.3749 -4.3749 -4.0175 -4.0175 0.3552 0.3552 2.4988 2.4988 2.7787 2.7787 2.9161 2.9161 3.2703 3.2703 3.4186 3.4186 4.1400 4.1400 6.3866 6.3866 6.4325 6.4325 6.5380 6.5380 6.9874 6.9874 7.5729 7.5729 k = 0.0294 0.0091 0.0056 ( 8051 PWs) bands (ev): -27.1409 -27.1409 -27.1385 -27.1385 -26.9882 -26.9882 -26.9750 -26.9750 -10.8605 -10.8605 -10.8427 -10.8427 -10.7015 -10.7015 -10.6450 -10.6450 -10.6024 -10.6024 -10.5891 -10.5891 -10.5606 -10.5606 -10.5433 -10.5433 -10.4377 -10.4377 -10.4111 -10.4111 -10.3851 -10.3851 -10.3568 -10.3568 -6.4478 -6.4478 -5.3804 -5.3804 -5.0766 -5.0766 -4.8994 -4.8994 -4.4089 -4.4089 -4.3749 -4.3749 -4.0186 -4.0186 0.3533 0.3533 2.5110 2.5110 2.7789 2.7789 2.9154 2.9154 3.2710 3.2710 3.4194 3.4194 4.1183 4.1183 6.4041 6.4041 6.4443 6.4443 6.5378 6.5378 6.9650 6.9650 7.5811 7.5811 k = 0.0000 0.0000 0.0000 ( 8057 PWs) bands (ev): -27.1409 -27.1409 -27.1385 -27.1385 -26.9882 -26.9882 -26.9750 -26.9750 -10.8605 -10.8605 -10.8427 -10.8427 -10.7016 -10.7016 -10.6449 -10.6449 -10.6024 -10.6024 -10.5891 -10.5891 -10.5606 -10.5606 -10.5432 -10.5432 -10.4377 -10.4377 -10.4111 -10.4111 -10.3851 -10.3851 -10.3568 -10.3568 -6.4480 -6.4480 -5.3798 -5.3798 -5.0766 -5.0766 -4.8995 -4.8995 -4.4089 -4.4089 -4.3749 -4.3749 -4.0190 -4.0190 0.3527 0.3527 2.5152 2.5152 2.7790 2.7790 2.9152 2.9152 3.2712 3.2712 3.4197 3.4197 4.1110 4.1110 6.4078 6.4078 6.4511 6.4511 6.5377 6.5377 6.9567 6.9567 7.5839 7.5839 k = 0.0000 0.0000 0.0000 ( 8057 PWs) bands (ev): -27.1409 -27.1409 -27.1385 -27.1385 -26.9882 -26.9882 -26.9750 -26.9750 -10.8605 -10.8605 -10.8427 -10.8427 -10.7016 -10.7016 -10.6449 -10.6449 -10.6024 -10.6024 -10.5891 -10.5891 -10.5606 -10.5606 -10.5432 -10.5432 -10.4377 -10.4377 -10.4111 -10.4111 -10.3851 -10.3851 -10.3568 -10.3568 -6.4480 -6.4480 -5.3798 -5.3798 -5.0766 -5.0766 -4.8995 -4.8995 -4.4089 -4.4089 -4.3749 -4.3749 -4.0190 -4.0190 0.3527 0.3527 2.5152 2.5152 2.7790 2.7790 2.9152 2.9152 3.2712 3.2712 3.4197 3.4197 4.1110 4.1110 6.4078 6.4078 6.4511 6.4511 6.5377 6.5377 6.9567 6.9567 7.5839 7.5839 k = 0.0091-0.0133-0.0262 ( 8045 PWs) bands (ev): -27.1409 -27.1409 -27.1385 -27.1385 -26.9881 -26.9881 -26.9750 -26.9750 -10.8605 -10.8605 -10.8427 -10.8427 -10.7017 -10.7017 -10.6451 -10.6451 -10.6025 -10.6025 -10.5890 -10.5890 -10.5605 -10.5605 -10.5432 -10.5432 -10.4376 -10.4376 -10.4112 -10.4112 -10.3850 -10.3850 -10.3568 -10.3568 -6.4479 -6.4479 -5.3796 -5.3796 -5.0766 -5.0766 -4.8994 -4.8994 -4.4089 -4.4089 -4.3749 -4.3749 -4.0188 -4.0188 0.3531 0.3531 2.5152 2.5152 2.7771 2.7771 2.9131 2.9131 3.2706 3.2706 3.4189 3.4189 4.1169 4.1169 6.4036 6.4036 6.4512 6.4512 6.5289 6.5289 6.9724 6.9724 7.5840 7.5840 k = 0.0181-0.0266-0.0524 ( 8035 PWs) bands (ev): -27.1409 -27.1409 -27.1384 -27.1384 -26.9881 -26.9881 -26.9750 -26.9750 -10.8604 -10.8604 -10.8428 -10.8428 -10.7020 -10.7020 -10.6455 -10.6455 -10.6027 -10.6027 -10.5889 -10.5889 -10.5602 -10.5602 -10.5433 -10.5433 -10.4374 -10.4374 -10.4115 -10.4115 -10.3846 -10.3846 -10.3569 -10.3569 -6.4475 -6.4475 -5.3792 -5.3792 -5.0765 -5.0765 -4.8993 -4.8993 -4.4089 -4.4089 -4.3748 -4.3748 -4.0183 -4.0183 0.3545 0.3545 2.5151 2.5151 2.7714 2.7714 2.9072 2.9072 3.2686 3.2686 3.4168 3.4168 4.1343 4.1343 6.3832 6.3832 6.4563 6.4563 6.5105 6.5105 7.0139 7.0139 7.5843 7.5843 k = 0.0272-0.0398-0.0785 ( 8041 PWs) bands (ev): -27.1409 -27.1409 -27.1384 -27.1384 -26.9881 -26.9881 -26.9751 -26.9751 -10.8604 -10.8604 -10.8429 -10.8429 -10.7025 -10.7025 -10.6462 -10.6462 -10.6031 -10.6031 -10.5886 -10.5886 -10.5597 -10.5597 -10.5433 -10.5433 -10.4370 -10.4370 -10.4120 -10.4120 -10.3840 -10.3840 -10.3572 -10.3572 -6.4468 -6.4468 -5.3785 -5.3785 -5.0765 -5.0765 -4.8992 -4.8992 -4.4089 -4.4089 -4.3748 -4.3748 -4.0175 -4.0175 0.3569 0.3569 2.5150 2.5150 2.7610 2.7610 2.8992 2.8992 3.2650 3.2650 3.4134 3.4134 4.1623 4.1623 6.3403 6.3403 6.4697 6.4697 6.4956 6.4956 7.0708 7.0708 7.5844 7.5844 k = 0.0362-0.0531-0.1047 ( 8033 PWs) bands (ev): -27.1408 -27.1408 -27.1384 -27.1384 -26.9881 -26.9881 -26.9751 -26.9751 -10.8604 -10.8604 -10.8431 -10.8431 -10.7032 -10.7032 -10.6472 -10.6472 -10.6036 -10.6036 -10.5884 -10.5884 -10.5590 -10.5590 -10.5433 -10.5433 -10.4364 -10.4364 -10.4126 -10.4126 -10.3833 -10.3833 -10.3575 -10.3575 -6.4459 -6.4459 -5.3774 -5.3774 -5.0765 -5.0765 -4.8990 -4.8990 -4.4089 -4.4089 -4.3748 -4.3748 -4.0163 -4.0163 0.3601 0.3601 2.5147 2.5147 2.7452 2.7452 2.8908 2.8908 3.2599 3.2599 3.4091 3.4091 4.2000 4.2000 6.2811 6.2811 6.4735 6.4735 6.5028 6.5028 7.1349 7.1349 7.5825 7.5825 k = 0.0453-0.0664-0.1309 ( 8037 PWs) bands (ev): -27.1408 -27.1408 -27.1384 -27.1384 -26.9880 -26.9880 -26.9752 -26.9752 -10.8603 -10.8603 -10.8434 -10.8434 -10.7040 -10.7040 -10.6485 -10.6485 -10.6040 -10.6040 -10.5882 -10.5882 -10.5582 -10.5582 -10.5433 -10.5433 -10.4357 -10.4357 -10.4133 -10.4133 -10.3824 -10.3824 -10.3579 -10.3579 -6.4447 -6.4447 -5.3761 -5.3761 -5.0765 -5.0765 -4.8987 -4.8987 -4.4089 -4.4089 -4.3748 -4.3748 -4.0148 -4.0148 0.3642 0.3642 2.5142 2.5142 2.7237 2.7237 2.8835 2.8835 3.2528 3.2528 3.4044 3.4044 4.2460 4.2460 6.2136 6.2136 6.4624 6.4624 6.5333 6.5333 7.2011 7.2011 7.5482 7.5482 k = 0.0544-0.0797-0.1571 ( 8041 PWs) bands (ev): -27.1407 -27.1407 -27.1384 -27.1384 -26.9880 -26.9880 -26.9753 -26.9753 -10.8603 -10.8603 -10.8437 -10.8437 -10.7050 -10.7050 -10.6502 -10.6502 -10.6044 -10.6044 -10.5880 -10.5880 -10.5572 -10.5572 -10.5433 -10.5433 -10.4349 -10.4349 -10.4141 -10.4141 -10.3814 -10.3814 -10.3583 -10.3583 -6.4433 -6.4433 -5.3746 -5.3746 -5.0765 -5.0765 -4.8984 -4.8984 -4.4090 -4.4090 -4.3748 -4.3748 -4.0131 -4.0131 0.3692 0.3692 2.5133 2.5133 2.6972 2.6972 2.8781 2.8781 3.2438 3.2438 3.3995 3.3995 4.2990 4.2990 6.1423 6.1423 6.4483 6.4483 6.5723 6.5723 7.2659 7.2659 7.5049 7.5049 k = 0.0634-0.0930-0.1833 ( 8043 PWs) bands (ev): -27.1407 -27.1407 -27.1384 -27.1384 -26.9879 -26.9879 -26.9755 -26.9755 -10.8602 -10.8602 -10.8440 -10.8440 -10.7061 -10.7061 -10.6521 -10.6521 -10.6048 -10.6048 -10.5880 -10.5880 -10.5561 -10.5561 -10.5432 -10.5432 -10.4340 -10.4340 -10.4149 -10.4149 -10.3803 -10.3803 -10.3587 -10.3587 -6.4416 -6.4416 -5.3727 -5.3727 -5.0765 -5.0765 -4.8981 -4.8981 -4.4090 -4.4090 -4.3747 -4.3747 -4.0110 -4.0110 0.3750 0.3750 2.5117 2.5117 2.6670 2.6670 2.8744 2.8744 3.2327 3.2327 3.3950 3.3950 4.3578 4.3578 6.0698 6.0698 6.4315 6.4315 6.6175 6.6175 7.3268 7.3268 7.4625 7.4625 k = 0.0725-0.1062-0.2094 ( 8033 PWs) bands (ev): -27.1406 -27.1406 -27.1383 -27.1383 -26.9878 -26.9878 -26.9756 -26.9756 -10.8602 -10.8602 -10.8444 -10.8444 -10.7074 -10.7074 -10.6542 -10.6542 -10.6050 -10.6050 -10.5880 -10.5880 -10.5550 -10.5550 -10.5431 -10.5431 -10.4330 -10.4330 -10.4157 -10.4157 -10.3792 -10.3792 -10.3592 -10.3592 -6.4398 -6.4398 -5.3707 -5.3707 -5.0765 -5.0765 -4.8977 -4.8977 -4.4090 -4.4090 -4.3747 -4.3747 -4.0087 -4.0087 0.3817 0.3817 2.5088 2.5088 2.6351 2.6351 2.8722 2.8722 3.2196 3.2196 3.3909 3.3909 4.4214 4.4214 5.9975 5.9975 6.4114 6.4114 6.6680 6.6680 7.3813 7.3813 7.4235 7.4235 k = 0.0815-0.1195-0.2356 ( 8029 PWs) bands (ev): -27.1405 -27.1405 -27.1383 -27.1383 -26.9877 -26.9877 -26.9757 -26.9757 -10.8601 -10.8601 -10.8448 -10.8448 -10.7087 -10.7087 -10.6566 -10.6566 -10.6053 -10.6053 -10.5880 -10.5880 -10.5539 -10.5539 -10.5428 -10.5428 -10.4321 -10.4321 -10.4164 -10.4164 -10.3782 -10.3782 -10.3597 -10.3597 -6.4377 -6.4377 -5.3685 -5.3685 -5.0765 -5.0765 -4.8973 -4.8973 -4.4091 -4.4091 -4.3746 -4.3746 -4.0061 -4.0061 0.3891 0.3891 2.5033 2.5033 2.6037 2.6037 2.8708 2.8708 3.2048 3.2048 3.3873 3.3873 4.4887 4.4887 5.9262 5.9262 6.3877 6.3877 6.7226 6.7226 7.3867 7.3867 7.4296 7.4296 k = 0.0906-0.1328-0.2618 ( 8019 PWs) bands (ev): -27.1404 -27.1404 -27.1383 -27.1383 -26.9876 -26.9876 -26.9759 -26.9759 -10.8601 -10.8601 -10.8453 -10.8453 -10.7100 -10.7100 -10.6593 -10.6593 -10.6055 -10.6055 -10.5881 -10.5881 -10.5530 -10.5530 -10.5423 -10.5423 -10.4311 -10.4311 -10.4170 -10.4170 -10.3772 -10.3772 -10.3601 -10.3601 -6.4355 -6.4355 -5.3661 -5.3661 -5.0764 -5.0764 -4.8968 -4.8968 -4.4091 -4.4091 -4.3745 -4.3745 -4.0033 -4.0033 0.3972 0.3972 2.4929 2.4929 2.5764 2.5764 2.8699 2.8699 3.1886 3.1886 3.3841 3.3841 4.5589 4.5589 5.8565 5.8565 6.3600 6.3600 6.7801 6.7801 7.3583 7.3583 7.4590 7.4590 k = 0.0997-0.1461-0.2880 ( 8031 PWs) bands (ev): -27.1404 -27.1404 -27.1383 -27.1383 -26.9876 -26.9876 -26.9761 -26.9761 -10.8600 -10.8600 -10.8458 -10.8458 -10.7114 -10.7114 -10.6621 -10.6621 -10.6057 -10.6057 -10.5882 -10.5882 -10.5522 -10.5522 -10.5415 -10.5415 -10.4304 -10.4304 -10.4174 -10.4174 -10.3762 -10.3762 -10.3605 -10.3605 -6.4332 -6.4332 -5.3635 -5.3635 -5.0764 -5.0764 -4.8963 -4.8963 -4.4091 -4.4091 -4.3745 -4.3745 -4.0002 -4.0002 0.4060 0.4060 2.4746 2.4746 2.5568 2.5568 2.8693 2.8693 3.1713 3.1713 3.3813 3.3813 4.6313 4.6313 5.7889 5.7889 6.3284 6.3284 6.8390 6.8390 7.3371 7.3371 7.4554 7.4554 k = 0.1087-0.1594-0.3142 ( 8031 PWs) bands (ev): -27.1403 -27.1403 -27.1382 -27.1382 -26.9874 -26.9874 -26.9763 -26.9763 -10.8600 -10.8600 -10.8463 -10.8463 -10.7129 -10.7129 -10.6651 -10.6651 -10.6059 -10.6059 -10.5882 -10.5882 -10.5517 -10.5517 -10.5405 -10.5405 -10.4298 -10.4298 -10.4176 -10.4176 -10.3754 -10.3754 -10.3608 -10.3608 -6.4307 -6.4307 -5.3608 -5.3608 -5.0764 -5.0764 -4.8958 -4.8958 -4.4092 -4.4092 -4.3745 -4.3745 -3.9970 -3.9970 0.4154 0.4154 2.4486 2.4486 2.5454 2.5454 2.8685 2.8685 3.1535 3.1535 3.3786 3.3786 4.7052 4.7052 5.7238 5.7238 6.2930 6.2930 6.8970 6.8970 7.3251 7.3251 7.4238 7.4238 k = 0.1178-0.1726-0.3403 ( 8031 PWs) bands (ev): -27.1402 -27.1402 -27.1382 -27.1382 -26.9873 -26.9873 -26.9765 -26.9765 -10.8600 -10.8600 -10.8468 -10.8468 -10.7143 -10.7143 -10.6682 -10.6682 -10.6062 -10.6062 -10.5882 -10.5882 -10.5515 -10.5515 -10.5391 -10.5391 -10.4296 -10.4296 -10.4174 -10.4174 -10.3747 -10.3747 -10.3610 -10.3610 -6.4281 -6.4281 -5.3580 -5.3580 -5.0764 -5.0764 -4.8952 -4.8952 -4.4092 -4.4092 -4.3744 -4.3744 -3.9937 -3.9937 0.4254 0.4254 2.4186 2.4186 2.5389 2.5389 2.8673 2.8673 3.1355 3.1355 3.3758 3.3758 4.7802 4.7802 5.6613 5.6613 6.2542 6.2542 6.9513 6.9513 7.3245 7.3245 7.3787 7.3787 k = 0.1268-0.1859-0.3665 ( 8025 PWs) bands (ev): -27.1401 -27.1401 -27.1382 -27.1382 -26.9872 -26.9872 -26.9767 -26.9767 -10.8599 -10.8599 -10.8473 -10.8473 -10.7157 -10.7157 -10.6714 -10.6714 -10.6066 -10.6066 -10.5880 -10.5880 -10.5515 -10.5515 -10.5376 -10.5376 -10.4296 -10.4296 -10.4168 -10.4168 -10.3740 -10.3740 -10.3611 -10.3611 -6.4255 -6.4255 -5.3552 -5.3552 -5.0764 -5.0764 -4.8947 -4.8947 -4.4093 -4.4093 -4.3744 -4.3744 -3.9901 -3.9901 0.4358 0.4358 2.3875 2.3875 2.5349 2.5349 2.8656 2.8656 3.1176 3.1176 3.3727 3.3727 4.8557 4.8557 5.6017 5.6017 6.2124 6.2124 6.9985 6.9985 7.3247 7.3247 7.3392 7.3392 k = 0.1359-0.1992-0.3927 ( 8023 PWs) bands (ev): -27.1400 -27.1400 -27.1381 -27.1381 -26.9871 -26.9871 -26.9769 -26.9769 -10.8599 -10.8599 -10.8478 -10.8478 -10.7170 -10.7170 -10.6747 -10.6747 -10.6072 -10.6072 -10.5878 -10.5878 -10.5517 -10.5517 -10.5359 -10.5359 -10.4300 -10.4300 -10.4159 -10.4159 -10.3735 -10.3735 -10.3611 -10.3611 -6.4228 -6.4228 -5.3523 -5.3523 -5.0764 -5.0764 -4.8941 -4.8941 -4.4093 -4.4093 -4.3743 -4.3743 -3.9865 -3.9865 0.4467 0.4467 2.3569 2.3569 2.5318 2.5318 2.8632 2.8632 3.1003 3.1003 3.3692 3.3692 4.9312 4.9312 5.5453 5.5453 6.1682 6.1682 7.0358 7.0358 7.2679 7.2679 7.3675 7.3675 k = 0.1450-0.2125-0.4189 ( 8019 PWs) bands (ev): -27.1399 -27.1399 -27.1381 -27.1381 -26.9869 -26.9869 -26.9772 -26.9772 -10.8600 -10.8600 -10.8483 -10.8483 -10.7183 -10.7183 -10.6781 -10.6781 -10.6078 -10.6078 -10.5874 -10.5874 -10.5520 -10.5520 -10.5341 -10.5341 -10.4306 -10.4306 -10.4147 -10.4147 -10.3731 -10.3731 -10.3610 -10.3610 -6.4200 -6.4200 -5.3494 -5.3494 -5.0764 -5.0764 -4.8935 -4.8935 -4.4094 -4.4094 -4.3742 -4.3742 -3.9828 -3.9828 0.4579 0.4579 2.3278 2.3278 2.5293 2.5293 2.8598 2.8598 3.0837 3.0837 3.3650 3.3650 5.0063 5.0063 5.4921 5.4921 6.1224 6.1224 7.0627 7.0627 7.2076 7.2076 7.4113 7.4113 k = 0.1540-0.2257-0.4450 ( 8017 PWs) bands (ev): -27.1398 -27.1398 -27.1381 -27.1381 -26.9868 -26.9868 -26.9774 -26.9774 -10.8600 -10.8600 -10.8488 -10.8488 -10.7195 -10.7195 -10.6814 -10.6814 -10.6087 -10.6087 -10.5868 -10.5868 -10.5524 -10.5524 -10.5322 -10.5322 -10.4314 -10.4314 -10.4134 -10.4134 -10.3728 -10.3728 -10.3608 -10.3608 -6.4173 -6.4173 -5.3466 -5.3466 -5.0764 -5.0764 -4.8929 -4.8929 -4.4094 -4.4094 -4.3742 -4.3742 -3.9791 -3.9791 0.4693 0.4693 2.3008 2.3008 2.5268 2.5268 2.8553 2.8553 3.0681 3.0681 3.3600 3.3600 5.0806 5.0806 5.4424 5.4424 6.0755 6.0755 7.0804 7.0804 7.1470 7.1470 7.4666 7.4666 k = 0.1631-0.2390-0.4712 ( 8013 PWs) bands (ev): -27.1397 -27.1397 -27.1381 -27.1381 -26.9866 -26.9866 -26.9777 -26.9777 -10.8601 -10.8601 -10.8493 -10.8493 -10.7206 -10.7206 -10.6848 -10.6848 -10.6096 -10.6096 -10.5862 -10.5862 -10.5529 -10.5529 -10.5303 -10.5303 -10.4324 -10.4324 -10.4119 -10.4119 -10.3726 -10.3726 -10.3606 -10.3606 -6.4146 -6.4146 -5.3438 -5.3438 -5.0764 -5.0764 -4.8924 -4.8924 -4.4095 -4.4095 -4.3741 -4.3741 -3.9754 -3.9754 0.4810 0.4810 2.2761 2.2761 2.5243 2.5243 2.8496 2.8496 3.0538 3.0538 3.3540 3.3540 5.1537 5.1537 5.3965 5.3965 6.0281 6.0281 7.0742 7.0742 7.1048 7.1048 7.5293 7.5293 k = 0.1721-0.2523-0.4974 ( 8017 PWs) bands (ev): -27.1396 -27.1396 -27.1380 -27.1380 -26.9864 -26.9864 -26.9780 -26.9780 -10.8601 -10.8601 -10.8497 -10.8497 -10.7217 -10.7217 -10.6881 -10.6881 -10.6106 -10.6106 -10.5854 -10.5854 -10.5534 -10.5534 -10.5284 -10.5284 -10.4334 -10.4334 -10.4104 -10.4104 -10.3725 -10.3725 -10.3604 -10.3604 -6.4119 -6.4119 -5.3411 -5.3411 -5.0764 -5.0764 -4.8918 -4.8918 -4.4095 -4.4095 -4.3741 -4.3741 -3.9716 -3.9716 0.4927 0.4927 2.2540 2.2540 2.5216 2.5216 2.8425 2.8425 3.0408 3.0408 3.3470 3.3470 5.2244 5.2244 5.3552 5.3552 5.9808 5.9808 7.0176 7.0176 7.1106 7.1106 7.5959 7.5959 k = 0.1812-0.2656-0.5236 ( 8025 PWs) bands (ev): -27.1395 -27.1395 -27.1380 -27.1380 -26.9863 -26.9863 -26.9782 -26.9782 -10.8603 -10.8603 -10.8502 -10.8502 -10.7226 -10.7226 -10.6913 -10.6913 -10.6118 -10.6118 -10.5845 -10.5845 -10.5540 -10.5540 -10.5265 -10.5265 -10.4345 -10.4345 -10.4088 -10.4088 -10.3724 -10.3724 -10.3601 -10.3601 -6.4092 -6.4092 -5.3385 -5.3385 -5.0764 -5.0764 -4.8913 -4.8913 -4.4096 -4.4096 -4.3741 -4.3741 -3.9680 -3.9680 0.5043 0.5043 2.2347 2.2347 2.5188 2.5188 2.8339 2.8339 3.0293 3.0293 3.3387 3.3387 5.2832 5.2832 5.3281 5.3281 5.9341 5.9341 6.9573 6.9573 7.1199 7.1199 7.6639 7.6639 k = 0.1903-0.2789-0.5498 ( 8021 PWs) bands (ev): -27.1394 -27.1394 -27.1380 -27.1380 -26.9861 -26.9861 -26.9785 -26.9785 -10.8604 -10.8604 -10.8505 -10.8505 -10.7235 -10.7235 -10.6944 -10.6944 -10.6130 -10.6130 -10.5836 -10.5836 -10.5546 -10.5546 -10.5246 -10.5246 -10.4356 -10.4356 -10.4071 -10.4071 -10.3723 -10.3723 -10.3599 -10.3599 -6.4066 -6.4066 -5.3361 -5.3361 -5.0764 -5.0764 -4.8907 -4.8907 -4.4096 -4.4096 -4.3740 -4.3740 -3.9643 -3.9643 0.5159 0.5159 2.2184 2.2184 2.5157 2.5157 2.8238 2.8238 3.0194 3.0194 3.3291 3.3291 5.2720 5.2720 5.3731 5.3731 5.8883 5.8883 6.8978 6.8978 7.1293 7.1293 7.7315 7.7315 k = 0.1993-0.2921-0.5759 ( 8023 PWs) bands (ev): -27.1393 -27.1393 -27.1380 -27.1380 -26.9859 -26.9859 -26.9788 -26.9788 -10.8605 -10.8605 -10.8509 -10.8509 -10.7242 -10.7242 -10.6975 -10.6975 -10.6142 -10.6142 -10.5827 -10.5827 -10.5552 -10.5552 -10.5227 -10.5227 -10.4368 -10.4368 -10.4054 -10.4054 -10.3723 -10.3723 -10.3597 -10.3597 -6.4042 -6.4042 -5.3338 -5.3338 -5.0764 -5.0764 -4.8902 -4.8902 -4.4097 -4.4097 -4.3740 -4.3740 -3.9608 -3.9608 0.5273 0.5273 2.2052 2.2052 2.5123 2.5123 2.8121 2.8121 3.0111 3.0111 3.3182 3.3182 5.2428 5.2428 5.4381 5.4381 5.8439 5.8439 6.8398 6.8398 7.1389 7.1389 7.7969 7.7969 k = 0.2084-0.3054-0.6021 ( 8033 PWs) bands (ev): -27.1392 -27.1392 -27.1380 -27.1380 -26.9857 -26.9857 -26.9791 -26.9791 -10.8607 -10.8607 -10.8512 -10.8512 -10.7249 -10.7249 -10.7004 -10.7004 -10.6155 -10.6155 -10.5817 -10.5817 -10.5559 -10.5559 -10.5210 -10.5210 -10.4379 -10.4379 -10.4037 -10.4037 -10.3723 -10.3723 -10.3595 -10.3595 -6.4018 -6.4018 -5.3317 -5.3317 -5.0764 -5.0764 -4.8897 -4.8897 -4.4098 -4.4098 -4.3740 -4.3740 -3.9574 -3.9574 0.5384 0.5384 2.1952 2.1952 2.5086 2.5086 2.7988 2.7988 3.0046 3.0046 3.3058 3.3058 5.2157 5.2157 5.5026 5.5026 5.8011 5.8011 6.7837 6.7837 7.1491 7.1491 7.8369 7.8369 k = 0.2174-0.3187-0.6283 ( 8047 PWs) bands (ev): -27.1391 -27.1391 -27.1380 -27.1380 -26.9855 -26.9855 -26.9794 -26.9794 -10.8609 -10.8609 -10.8515 -10.8515 -10.7256 -10.7256 -10.7031 -10.7031 -10.6168 -10.6168 -10.5806 -10.5806 -10.5565 -10.5565 -10.5192 -10.5192 -10.4391 -10.4391 -10.4020 -10.4020 -10.3724 -10.3724 -10.3593 -10.3593 -6.3995 -6.3995 -5.3298 -5.3298 -5.0765 -5.0765 -4.8892 -4.8892 -4.4098 -4.4098 -4.3740 -4.3740 -3.9541 -3.9541 0.5491 0.5491 2.1885 2.1885 2.5046 2.5046 2.7840 2.7840 2.9998 2.9998 3.2920 3.2920 5.1923 5.1923 5.5654 5.5654 5.7601 5.7601 6.7293 6.7293 7.1600 7.1600 7.8196 7.8196 k = 0.2265-0.3320-0.6545 ( 8053 PWs) bands (ev): -27.1390 -27.1390 -27.1380 -27.1380 -26.9853 -26.9853 -26.9797 -26.9797 -10.8611 -10.8611 -10.8517 -10.8517 -10.7261 -10.7261 -10.7056 -10.7056 -10.6180 -10.6180 -10.5796 -10.5796 -10.5572 -10.5572 -10.5176 -10.5176 -10.4402 -10.4402 -10.4002 -10.4002 -10.3725 -10.3725 -10.3592 -10.3592 -6.3974 -6.3974 -5.3281 -5.3281 -5.0765 -5.0765 -4.8888 -4.8888 -4.4099 -4.4099 -4.3739 -4.3739 -3.9510 -3.9510 0.5594 0.5594 2.1850 2.1850 2.5002 2.5002 2.7677 2.7677 2.9967 2.9967 3.2769 3.2769 5.1726 5.1726 5.6256 5.6256 5.7215 5.7215 6.6769 6.6769 7.1718 7.1718 7.7988 7.7988 k = 0.2355-0.3453-0.6807 ( 8051 PWs) bands (ev): -27.1390 -27.1390 -27.1380 -27.1380 -26.9851 -26.9851 -26.9800 -26.9800 -10.8613 -10.8613 -10.8519 -10.8519 -10.7266 -10.7266 -10.7079 -10.7079 -10.6193 -10.6193 -10.5786 -10.5786 -10.5578 -10.5578 -10.5160 -10.5160 -10.4414 -10.4414 -10.3985 -10.3985 -10.3727 -10.3727 -10.3591 -10.3591 -6.3954 -6.3954 -5.3266 -5.3266 -5.0765 -5.0765 -4.8884 -4.8884 -4.4099 -4.4099 -4.3739 -4.3739 -3.9481 -3.9481 0.5691 0.5691 2.1848 2.1848 2.4953 2.4953 2.7502 2.7502 2.9953 2.9953 3.2605 3.2605 5.1569 5.1569 5.6726 5.6726 5.6960 5.6960 6.6264 6.6264 7.1844 7.1844 7.7780 7.7780 k = 0.2446-0.3585-0.7068 ( 8059 PWs) bands (ev): -27.1389 -27.1389 -27.1380 -27.1380 -26.9849 -26.9849 -26.9802 -26.9802 -10.8615 -10.8615 -10.8520 -10.8520 -10.7271 -10.7271 -10.7100 -10.7100 -10.6205 -10.6205 -10.5776 -10.5776 -10.5584 -10.5584 -10.5145 -10.5145 -10.4424 -10.4424 -10.3967 -10.3967 -10.3730 -10.3730 -10.3591 -10.3591 -6.3935 -6.3935 -5.3254 -5.3254 -5.0765 -5.0765 -4.8880 -4.8880 -4.4099 -4.4099 -4.3739 -4.3739 -3.9453 -3.9453 0.5782 0.5782 2.1878 2.1878 2.4898 2.4898 2.7317 2.7317 2.9955 2.9955 3.2429 3.2429 5.1452 5.1452 5.6460 5.6460 5.7438 5.7438 6.5778 6.5778 7.1982 7.1982 7.7583 7.7583 k = 0.2537-0.3718-0.7330 ( 8065 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9847 -26.9847 -26.9805 -26.9805 -10.8617 -10.8617 -10.8522 -10.8522 -10.7276 -10.7276 -10.7118 -10.7118 -10.6216 -10.6216 -10.5766 -10.5766 -10.5591 -10.5591 -10.5132 -10.5132 -10.4435 -10.4435 -10.3950 -10.3950 -10.3734 -10.3734 -10.3590 -10.3590 -6.3918 -6.3918 -5.3245 -5.3245 -5.0766 -5.0766 -4.8876 -4.8876 -4.4100 -4.4100 -4.3739 -4.3739 -3.9428 -3.9428 0.5867 0.5867 2.1941 2.1941 2.4834 2.4834 2.7126 2.7126 2.9971 2.9971 3.2244 3.2244 5.1375 5.1375 5.6134 5.6134 5.7974 5.7974 6.5309 6.5309 7.2130 7.2130 7.7404 7.7404 k = 0.2627-0.3851-0.7592 ( 8055 PWs) bands (ev): -27.1387 -27.1387 -27.1380 -27.1380 -26.9845 -26.9845 -26.9808 -26.9808 -10.8618 -10.8618 -10.8523 -10.8523 -10.7280 -10.7280 -10.7134 -10.7134 -10.6227 -10.6227 -10.5757 -10.5757 -10.5597 -10.5597 -10.5119 -10.5119 -10.4444 -10.4444 -10.3933 -10.3933 -10.3739 -10.3739 -10.3590 -10.3590 -6.3903 -6.3903 -5.3237 -5.3237 -5.0766 -5.0766 -4.8873 -4.8873 -4.4100 -4.4100 -4.3738 -4.3738 -3.9405 -3.9405 0.5944 0.5944 2.2034 2.2034 2.4759 2.4759 2.6934 2.6934 3.0001 3.0001 3.2051 3.2051 5.1338 5.1338 5.5824 5.5824 5.8491 5.8491 6.4857 6.4857 7.2289 7.2289 7.7247 7.7247 k = 0.2718-0.3984-0.7854 ( 8059 PWs) bands (ev): -27.1386 -27.1386 -27.1380 -27.1380 -26.9842 -26.9842 -26.9811 -26.9811 -10.8620 -10.8620 -10.8523 -10.8523 -10.7285 -10.7285 -10.7147 -10.7147 -10.6236 -10.6236 -10.5748 -10.5748 -10.5602 -10.5602 -10.5107 -10.5107 -10.4453 -10.4453 -10.3915 -10.3915 -10.3745 -10.3745 -10.3590 -10.3590 -6.3889 -6.3889 -5.3233 -5.3233 -5.0766 -5.0766 -4.8870 -4.8870 -4.4100 -4.4100 -4.3738 -4.3738 -3.9383 -3.9383 0.6015 0.6015 2.2157 2.2157 2.4670 2.4670 2.6745 2.6745 3.0040 3.0040 3.1856 3.1856 5.1340 5.1340 5.5533 5.5533 5.8986 5.8986 6.4421 6.4421 7.2458 7.2458 7.7116 7.7116 k = 0.2808-0.4117-0.8116 ( 8053 PWs) bands (ev): -27.1386 -27.1386 -27.1381 -27.1381 -26.9840 -26.9840 -26.9813 -26.9813 -10.8621 -10.8621 -10.8524 -10.8524 -10.7290 -10.7290 -10.7157 -10.7157 -10.6245 -10.6245 -10.5740 -10.5740 -10.5608 -10.5608 -10.5097 -10.5097 -10.4461 -10.4461 -10.3899 -10.3899 -10.3752 -10.3752 -10.3591 -10.3591 -6.3876 -6.3876 -5.3230 -5.3230 -5.0766 -5.0766 -4.8867 -4.8867 -4.4100 -4.4100 -4.3738 -4.3738 -3.9364 -3.9364 0.6077 0.6077 2.2306 2.2306 2.4565 2.4565 2.6566 2.6566 3.0083 3.0083 3.1665 3.1665 5.1381 5.1381 5.5261 5.5261 5.9456 5.9456 6.4003 6.4003 7.2636 7.2636 7.7011 7.7011 k = 0.2899-0.4249-0.8377 ( 8049 PWs) bands (ev): -27.1385 -27.1385 -27.1381 -27.1381 -26.9838 -26.9838 -26.9816 -26.9816 -10.8622 -10.8622 -10.8524 -10.8524 -10.7294 -10.7294 -10.7165 -10.7165 -10.6253 -10.6253 -10.5732 -10.5732 -10.5613 -10.5613 -10.5087 -10.5087 -10.4468 -10.4468 -10.3882 -10.3882 -10.3760 -10.3760 -10.3591 -10.3591 -6.3865 -6.3865 -5.3230 -5.3230 -5.0766 -5.0766 -4.8865 -4.8865 -4.4100 -4.4100 -4.3738 -4.3738 -3.9347 -3.9347 0.6132 0.6132 2.2479 2.2479 2.4442 2.4442 2.6402 2.6402 3.0121 3.0121 3.1488 3.1488 5.1461 5.1461 5.5008 5.5008 5.9900 5.9900 6.3603 6.3603 7.2822 7.2822 7.6932 7.6932 k = 0.2990-0.4382-0.8639 ( 8043 PWs) bands (ev): -27.1385 -27.1385 -27.1381 -27.1381 -26.9836 -26.9836 -26.9818 -26.9818 -10.8622 -10.8622 -10.8525 -10.8525 -10.7298 -10.7298 -10.7170 -10.7170 -10.6259 -10.6259 -10.5725 -10.5725 -10.5618 -10.5618 -10.5079 -10.5079 -10.4475 -10.4475 -10.3866 -10.3866 -10.3768 -10.3768 -10.3591 -10.3591 -6.3855 -6.3855 -5.3233 -5.3233 -5.0766 -5.0766 -4.8863 -4.8863 -4.4100 -4.4100 -4.3738 -4.3738 -3.9333 -3.9333 0.6180 0.6180 2.2666 2.2666 2.4306 2.4306 2.6257 2.6257 3.0138 3.0138 3.1344 3.1344 5.1579 5.1579 5.4773 5.4773 6.0313 6.0313 6.3226 6.3226 7.3013 7.3013 7.6876 7.6876 k = 0.3080-0.4515-0.8901 ( 8049 PWs) bands (ev): -27.1384 -27.1384 -27.1381 -27.1381 -26.9833 -26.9833 -26.9821 -26.9821 -10.8623 -10.8623 -10.8525 -10.8525 -10.7301 -10.7301 -10.7174 -10.7174 -10.6265 -10.6265 -10.5720 -10.5720 -10.5622 -10.5622 -10.5073 -10.5073 -10.4480 -10.4480 -10.3851 -10.3851 -10.3778 -10.3778 -10.3592 -10.3592 -6.3847 -6.3847 -5.3237 -5.3237 -5.0766 -5.0766 -4.8861 -4.8861 -4.4100 -4.4100 -4.3738 -4.3738 -3.9320 -3.9320 0.6219 0.6219 2.2856 2.2856 2.4167 2.4167 2.6133 2.6133 3.0110 3.0110 3.1256 3.1256 5.1732 5.1732 5.4555 5.4555 6.0683 6.0683 6.2882 6.2882 7.3203 7.3203 7.6837 7.6837 k = 0.3171-0.4648-0.9163 ( 8049 PWs) bands (ev): -27.1384 -27.1384 -27.1382 -27.1382 -26.9831 -26.9831 -26.9823 -26.9823 -10.8622 -10.8622 -10.8526 -10.8526 -10.7304 -10.7304 -10.7176 -10.7176 -10.6268 -10.6268 -10.5716 -10.5716 -10.5624 -10.5624 -10.5068 -10.5068 -10.4483 -10.4483 -10.3837 -10.3837 -10.3788 -10.3788 -10.3592 -10.3592 -6.3840 -6.3840 -5.3244 -5.3244 -5.0766 -5.0766 -4.8859 -4.8859 -4.4100 -4.4100 -4.3738 -4.3738 -3.9309 -3.9309 0.6252 0.6252 2.3014 2.3014 2.4059 2.4059 2.6031 2.6031 3.0022 3.0022 3.1242 3.1242 5.1919 5.1919 5.4356 5.4356 6.0984 6.0984 6.2599 6.2599 7.3389 7.3389 7.6806 7.6806 k = 0.3261-0.4781-0.9425 ( 8053 PWs) bands (ev): -27.1383 -27.1383 -27.1382 -27.1382 -26.9829 -26.9829 -26.9825 -26.9825 -10.8622 -10.8622 -10.8526 -10.8526 -10.7306 -10.7306 -10.7178 -10.7178 -10.6271 -10.6271 -10.5715 -10.5715 -10.5625 -10.5625 -10.5065 -10.5065 -10.4485 -10.4485 -10.3826 -10.3826 -10.3797 -10.3797 -10.3592 -10.3592 -6.3835 -6.3835 -5.3252 -5.3252 -5.0766 -5.0766 -4.8858 -4.8858 -4.4101 -4.4101 -4.3738 -4.3738 -3.9301 -3.9301 0.6278 0.6278 2.3078 2.3078 2.4045 2.4045 2.5950 2.5950 2.9877 2.9877 3.1301 3.1301 5.2138 5.2138 5.4175 5.4175 6.1150 6.1150 6.2443 6.2443 7.3562 7.3562 7.6770 7.6770 k = 0.3352-0.4913-0.9686 ( 8047 PWs) bands (ev): -27.1383 -27.1383 -27.1382 -27.1382 -26.9827 -26.9827 -26.9827 -26.9827 -10.8621 -10.8621 -10.8527 -10.8527 -10.7306 -10.7306 -10.7178 -10.7178 -10.6272 -10.6272 -10.5716 -10.5716 -10.5624 -10.5624 -10.5064 -10.5064 -10.4486 -10.4486 -10.3826 -10.3826 -10.3798 -10.3798 -10.3592 -10.3592 -6.3830 -6.3830 -5.3262 -5.3262 -5.0766 -5.0766 -4.8857 -4.8857 -4.4100 -4.4100 -4.3738 -4.3738 -3.9294 -3.9294 0.6298 0.6298 2.3003 2.3003 2.4169 2.4169 2.5889 2.5889 2.9694 2.9694 3.1413 3.1413 5.2382 5.2382 5.4014 5.4014 6.1110 6.1110 6.2485 6.2485 7.3714 7.3714 7.6709 7.6709 k = 0.3443-0.5046-0.9948 ( 8047 PWs) bands (ev): -27.1383 -27.1383 -27.1382 -27.1382 -26.9829 -26.9829 -26.9825 -26.9825 -10.8620 -10.8620 -10.8527 -10.8527 -10.7305 -10.7305 -10.7178 -10.7178 -10.6271 -10.6271 -10.5719 -10.5719 -10.5620 -10.5620 -10.5064 -10.5064 -10.4485 -10.4485 -10.3836 -10.3836 -10.3789 -10.3789 -10.3591 -10.3591 -6.3827 -6.3827 -5.3273 -5.3273 -5.0766 -5.0766 -4.8856 -4.8856 -4.4100 -4.4100 -4.3738 -4.3738 -3.9289 -3.9289 0.6311 0.6311 2.2830 2.2830 2.4391 2.4391 2.5847 2.5847 2.9489 2.9489 3.1563 3.1563 5.2642 5.2642 5.3882 5.3882 6.0910 6.0910 6.2681 6.2681 7.3835 7.3835 7.6599 7.6599 k = 0.6557-0.3503-0.9001 ( 8047 PWs) bands (ev): -27.1383 -27.1383 -27.1382 -27.1382 -26.9829 -26.9829 -26.9825 -26.9825 -10.8620 -10.8620 -10.8527 -10.8527 -10.7305 -10.7305 -10.7178 -10.7178 -10.6271 -10.6271 -10.5719 -10.5719 -10.5620 -10.5620 -10.5064 -10.5064 -10.4485 -10.4485 -10.3836 -10.3836 -10.3789 -10.3789 -10.3591 -10.3591 -6.3827 -6.3827 -5.3273 -5.3273 -5.0766 -5.0766 -4.8856 -4.8856 -4.4100 -4.4100 -4.3738 -4.3738 -3.9289 -3.9289 0.6311 0.6311 2.2830 2.2830 2.4391 2.4391 2.5847 2.5847 2.9489 2.9489 3.1563 3.1563 5.2642 5.2642 5.3882 5.3882 6.0910 6.0910 6.2681 6.2681 7.3835 7.3835 7.6599 7.6599 k = 0.6466-0.3206-0.9001 ( 8053 PWs) bands (ev): -27.1383 -27.1383 -27.1382 -27.1382 -26.9832 -26.9832 -26.9823 -26.9823 -10.8618 -10.8618 -10.8528 -10.8528 -10.7303 -10.7303 -10.7178 -10.7178 -10.6269 -10.6269 -10.5726 -10.5726 -10.5615 -10.5615 -10.5066 -10.5066 -10.4482 -10.4482 -10.3850 -10.3850 -10.3780 -10.3780 -10.3590 -10.3590 -6.3825 -6.3825 -5.3286 -5.3286 -5.0766 -5.0766 -4.8856 -4.8856 -4.4101 -4.4101 -4.3738 -4.3738 -3.9285 -3.9285 0.6320 0.6320 2.2608 2.2608 2.4657 2.4657 2.5829 2.5829 2.9273 2.9273 3.1742 3.1742 5.2895 5.2895 5.3800 5.3800 6.0639 6.0639 6.2941 6.2941 7.3913 7.3913 7.6414 7.6414 k = 0.6374-0.2909-0.9001 ( 8051 PWs) bands (ev): -27.1384 -27.1384 -27.1382 -27.1382 -26.9833 -26.9833 -26.9821 -26.9821 -10.8617 -10.8617 -10.8529 -10.8529 -10.7300 -10.7300 -10.7177 -10.7177 -10.6265 -10.6265 -10.5735 -10.5735 -10.5608 -10.5608 -10.5070 -10.5070 -10.4478 -10.4478 -10.3866 -10.3866 -10.3770 -10.3770 -10.3588 -10.3588 -6.3823 -6.3823 -5.3299 -5.3299 -5.0766 -5.0766 -4.8855 -4.8855 -4.4101 -4.4101 -4.3738 -4.3738 -3.9282 -3.9282 0.6323 0.6323 2.2365 2.2365 2.4924 2.4924 2.5846 2.5846 2.9055 2.9055 3.1940 3.1940 5.3073 5.3073 5.3829 5.3829 6.0348 6.0348 6.3218 6.3218 7.3933 7.3933 7.6138 7.6138 k = 0.6283-0.2612-0.9001 ( 8055 PWs) bands (ev): -27.1384 -27.1384 -27.1382 -27.1382 -26.9835 -26.9835 -26.9819 -26.9819 -10.8615 -10.8615 -10.8530 -10.8530 -10.7297 -10.7297 -10.7176 -10.7176 -10.6260 -10.6260 -10.5745 -10.5745 -10.5599 -10.5599 -10.5075 -10.5075 -10.4471 -10.4471 -10.3883 -10.3883 -10.3762 -10.3762 -10.3585 -10.3585 -6.3823 -6.3823 -5.3313 -5.3313 -5.0766 -5.0766 -4.8855 -4.8855 -4.4101 -4.4101 -4.3738 -4.3738 -3.9281 -3.9281 0.6323 0.6323 2.2116 2.2116 2.5147 2.5147 2.5928 2.5928 2.8842 2.8842 3.2152 3.2152 5.3113 5.3113 5.4030 5.4030 6.0058 6.0058 6.3492 6.3492 7.3887 7.3887 7.5768 7.5768 k = 0.6191-0.2316-0.9001 ( 8049 PWs) bands (ev): -27.1384 -27.1384 -27.1381 -27.1381 -26.9837 -26.9837 -26.9817 -26.9817 -10.8612 -10.8612 -10.8531 -10.8531 -10.7292 -10.7292 -10.7176 -10.7176 -10.6252 -10.6252 -10.5758 -10.5758 -10.5590 -10.5590 -10.5083 -10.5083 -10.4463 -10.4463 -10.3901 -10.3901 -10.3755 -10.3755 -10.3582 -10.3582 -6.3823 -6.3823 -5.3328 -5.3328 -5.0766 -5.0766 -4.8855 -4.8855 -4.4100 -4.4100 -4.3738 -4.3738 -3.9281 -3.9281 0.6319 0.6319 2.1868 2.1868 2.5288 2.5288 2.6103 2.6103 2.8638 2.8638 3.2374 3.2374 5.3062 5.3062 5.4348 5.4348 5.9780 5.9780 6.3755 6.3755 7.3767 7.3767 7.5317 7.5317 k = 0.6099-0.2019-0.9001 ( 8051 PWs) bands (ev): -27.1385 -27.1385 -27.1381 -27.1381 -26.9839 -26.9839 -26.9815 -26.9815 -10.8610 -10.8610 -10.8532 -10.8532 -10.7286 -10.7286 -10.7175 -10.7175 -10.6244 -10.6244 -10.5772 -10.5772 -10.5579 -10.5579 -10.5092 -10.5092 -10.4452 -10.4452 -10.3920 -10.3920 -10.3750 -10.3750 -10.3578 -10.3578 -6.3823 -6.3823 -5.3343 -5.3343 -5.0766 -5.0766 -4.8855 -4.8855 -4.4100 -4.4100 -4.3738 -4.3738 -3.9282 -3.9282 0.6313 0.6313 2.1625 2.1625 2.5351 2.5351 2.6356 2.6356 2.8447 2.8447 3.2601 3.2601 5.2981 5.2981 5.4716 5.4716 5.9523 5.9523 6.4002 6.4002 7.3575 7.3575 7.4803 7.4803 k = 0.6008-0.1722-0.9001 ( 8049 PWs) bands (ev): -27.1385 -27.1385 -27.1381 -27.1381 -26.9840 -26.9840 -26.9813 -26.9813 -10.8607 -10.8607 -10.8533 -10.8533 -10.7280 -10.7280 -10.7175 -10.7175 -10.6233 -10.6233 -10.5787 -10.5787 -10.5568 -10.5568 -10.5102 -10.5102 -10.4440 -10.4440 -10.3940 -10.3940 -10.3745 -10.3745 -10.3573 -10.3573 -6.3824 -6.3824 -5.3357 -5.3357 -5.0766 -5.0766 -4.8855 -4.8855 -4.4100 -4.4100 -4.3738 -4.3738 -3.9283 -3.9283 0.6304 0.6304 2.1393 2.1393 2.5373 2.5373 2.6641 2.6641 2.8278 2.8278 3.2830 3.2830 5.2893 5.2893 5.5101 5.5101 5.9297 5.9297 6.4233 6.4233 7.3317 7.3317 7.4246 7.4246 k = 0.5916-0.1425-0.9001 ( 8047 PWs) bands (ev): -27.1386 -27.1386 -27.1381 -27.1381 -26.9841 -26.9841 -26.9812 -26.9812 -10.8604 -10.8604 -10.8535 -10.8535 -10.7273 -10.7273 -10.7174 -10.7174 -10.6221 -10.6221 -10.5804 -10.5804 -10.5556 -10.5556 -10.5114 -10.5114 -10.4426 -10.4426 -10.3961 -10.3961 -10.3742 -10.3742 -10.3568 -10.3568 -6.3826 -6.3826 -5.3371 -5.3371 -5.0766 -5.0766 -4.8856 -4.8856 -4.4100 -4.4100 -4.3738 -4.3738 -3.9285 -3.9285 0.6293 0.6293 2.1173 2.1173 2.5376 2.5376 2.6918 2.6918 2.8141 2.8141 3.3056 3.3056 5.2805 5.2805 5.5479 5.5479 5.9115 5.9115 6.4444 6.4444 7.3005 7.3005 7.3667 7.3667 k = 0.5824-0.1128-0.9001 ( 8045 PWs) bands (ev): -27.1386 -27.1386 -27.1381 -27.1381 -26.9843 -26.9843 -26.9810 -26.9810 -10.8601 -10.8601 -10.8536 -10.8536 -10.7266 -10.7266 -10.7175 -10.7175 -10.6207 -10.6207 -10.5822 -10.5822 -10.5543 -10.5543 -10.5127 -10.5127 -10.4410 -10.4410 -10.3982 -10.3982 -10.3740 -10.3740 -10.3562 -10.3562 -6.3828 -6.3828 -5.3385 -5.3385 -5.0766 -5.0766 -4.8856 -4.8856 -4.4100 -4.4100 -4.3738 -4.3738 -3.9287 -3.9287 0.6282 0.6282 2.0968 2.0968 2.5370 2.5370 2.7146 2.7146 2.8066 2.8066 3.3278 3.3278 5.2722 5.2722 5.5827 5.5827 5.8993 5.8993 6.4635 6.4635 7.2646 7.2646 7.3090 7.3090 k = 0.5733-0.0832-0.9001 ( 8050 PWs) bands (ev): -27.1386 -27.1386 -27.1381 -27.1381 -26.9844 -26.9844 -26.9809 -26.9809 -10.8598 -10.8598 -10.8537 -10.8537 -10.7259 -10.7259 -10.7175 -10.7175 -10.6191 -10.6191 -10.5841 -10.5841 -10.5531 -10.5531 -10.5140 -10.5140 -10.4393 -10.4393 -10.4004 -10.4004 -10.3738 -10.3738 -10.3557 -10.3557 -6.3829 -6.3829 -5.3398 -5.3398 -5.0766 -5.0766 -4.8856 -4.8856 -4.4100 -4.4100 -4.3738 -4.3738 -3.9290 -3.9290 0.6270 0.6270 2.0780 2.0780 2.5361 2.5361 2.7271 2.7271 2.8096 2.8096 3.3489 3.3489 5.2645 5.2645 5.6119 5.6119 5.8952 5.8952 6.4805 6.4805 7.2224 7.2224 7.2562 7.2562 k = 0.5641-0.0535-0.9001 ( 8044 PWs) bands (ev): -27.1387 -27.1387 -27.1381 -27.1381 -26.9845 -26.9845 -26.9808 -26.9808 -10.8596 -10.8596 -10.8539 -10.8539 -10.7251 -10.7251 -10.7177 -10.7177 -10.6175 -10.6175 -10.5860 -10.5860 -10.5519 -10.5519 -10.5154 -10.5154 -10.4375 -10.4375 -10.4027 -10.4027 -10.3737 -10.3737 -10.3552 -10.3552 -6.3831 -6.3831 -5.3410 -5.3410 -5.0766 -5.0766 -4.8857 -4.8857 -4.4100 -4.4100 -4.3738 -4.3738 -3.9292 -3.9292 0.6259 0.6259 2.0611 2.0611 2.5350 2.5350 2.7281 2.7281 2.8237 2.8237 3.3688 3.3688 5.2574 5.2574 5.6329 5.6329 5.9013 5.9013 6.4953 6.4953 7.1718 7.1718 7.2134 7.2134 k = 0.5550-0.0238-0.9001 ( 8042 PWs) bands (ev): -27.1387 -27.1387 -27.1380 -27.1380 -26.9845 -26.9845 -26.9807 -26.9807 -10.8593 -10.8593 -10.8540 -10.8540 -10.7244 -10.7244 -10.7178 -10.7178 -10.6157 -10.6157 -10.5881 -10.5881 -10.5507 -10.5507 -10.5168 -10.5168 -10.4356 -10.4356 -10.4050 -10.4050 -10.3737 -10.3737 -10.3547 -10.3547 -6.3833 -6.3833 -5.3421 -5.3421 -5.0766 -5.0766 -4.8857 -4.8857 -4.4100 -4.4100 -4.3738 -4.3738 -3.9295 -3.9295 0.6248 0.6248 2.0462 2.0462 2.5339 2.5339 2.7230 2.7230 2.8432 2.8432 3.3869 3.3869 5.2511 5.2511 5.6450 5.6450 5.9175 5.9175 6.5080 6.5080 7.1180 7.1180 7.1781 7.1781 k = 0.5458 0.0059-0.9001 ( 8048 PWs) bands (ev): -27.1387 -27.1387 -27.1380 -27.1380 -26.9846 -26.9846 -26.9806 -26.9806 -10.8591 -10.8591 -10.8541 -10.8541 -10.7237 -10.7237 -10.7181 -10.7181 -10.6138 -10.6138 -10.5902 -10.5902 -10.5495 -10.5495 -10.5181 -10.5181 -10.4335 -10.4335 -10.4073 -10.4073 -10.3737 -10.3737 -10.3543 -10.3543 -6.3834 -6.3834 -5.3430 -5.3430 -5.0766 -5.0766 -4.8857 -4.8857 -4.4100 -4.4100 -4.3738 -4.3738 -3.9297 -3.9297 0.6237 0.6237 2.0334 2.0334 2.5329 2.5329 2.7161 2.7161 2.8630 2.8630 3.4029 3.4029 5.2456 5.2456 5.6496 5.6496 5.9413 5.9413 6.5184 6.5184 7.0660 7.0660 7.1478 7.1478 k = 0.5366 0.0356-0.9001 ( 8040 PWs) bands (ev): -27.1387 -27.1387 -27.1380 -27.1380 -26.9847 -26.9847 -26.9805 -26.9805 -10.8588 -10.8588 -10.8542 -10.8542 -10.7230 -10.7230 -10.7183 -10.7183 -10.6118 -10.6118 -10.5923 -10.5923 -10.5485 -10.5485 -10.5193 -10.5193 -10.4315 -10.4315 -10.4096 -10.4096 -10.3737 -10.3737 -10.3539 -10.3539 -6.3836 -6.3836 -5.3438 -5.3438 -5.0766 -5.0766 -4.8858 -4.8858 -4.4100 -4.4100 -4.3738 -4.3738 -3.9299 -3.9299 0.6229 0.6229 2.0228 2.0228 2.5321 2.5321 2.7095 2.7095 2.8808 2.8808 3.4166 3.4166 5.2411 5.2411 5.6494 5.6494 5.9686 5.9686 6.5266 6.5266 7.0188 7.0188 7.1222 7.1222 k = 0.5275 0.0653-0.9001 ( 8048 PWs) bands (ev): -27.1387 -27.1387 -27.1381 -27.1381 -26.9847 -26.9847 -26.9805 -26.9805 -10.8587 -10.8587 -10.8543 -10.8543 -10.7223 -10.7223 -10.7187 -10.7187 -10.6098 -10.6098 -10.5944 -10.5944 -10.5476 -10.5476 -10.5203 -10.5203 -10.4294 -10.4294 -10.4118 -10.4118 -10.3737 -10.3737 -10.3536 -10.3536 -6.3837 -6.3837 -5.3444 -5.3444 -5.0766 -5.0766 -4.8858 -4.8858 -4.4100 -4.4100 -4.3738 -4.3738 -3.9301 -3.9301 0.6222 0.6222 2.0144 2.0144 2.5314 2.5314 2.7039 2.7039 2.8955 2.8955 3.4275 3.4275 5.2375 5.2375 5.6470 5.6470 5.9954 5.9954 6.5328 6.5328 6.9788 6.9788 7.1017 7.1017 k = 0.5183 0.0949-0.9001 ( 8040 PWs) bands (ev): -27.1387 -27.1387 -27.1380 -27.1380 -26.9847 -26.9847 -26.9804 -26.9804 -10.8585 -10.8585 -10.8544 -10.8544 -10.7217 -10.7217 -10.7190 -10.7190 -10.6079 -10.6079 -10.5964 -10.5964 -10.5469 -10.5469 -10.5212 -10.5212 -10.4275 -10.4275 -10.4139 -10.4139 -10.3737 -10.3737 -10.3533 -10.3533 -6.3838 -6.3838 -5.3449 -5.3449 -5.0766 -5.0766 -4.8858 -4.8858 -4.4100 -4.4100 -4.3738 -4.3738 -3.9302 -3.9302 0.6216 0.6216 2.0084 2.0084 2.5308 2.5308 2.6997 2.6997 2.9063 2.9063 3.4356 3.4356 5.2348 5.2348 5.6442 5.6442 6.0177 6.0177 6.5369 6.5369 6.9480 6.9480 7.0868 7.0868 k = 0.5092 0.1246-0.9001 ( 8044 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9848 -26.9848 -26.9804 -26.9804 -10.8584 -10.8584 -10.8545 -10.8545 -10.7213 -10.7213 -10.7193 -10.7193 -10.6063 -10.6063 -10.5980 -10.5980 -10.5464 -10.5464 -10.5217 -10.5217 -10.4260 -10.4260 -10.4155 -10.4155 -10.3737 -10.3737 -10.3532 -10.3532 -6.3839 -6.3839 -5.3452 -5.3452 -5.0766 -5.0766 -4.8858 -4.8858 -4.4100 -4.4100 -4.3738 -4.3738 -3.9303 -3.9303 0.6213 0.6213 2.0048 2.0048 2.5305 2.5305 2.6972 2.6972 2.9130 2.9130 3.4404 3.4404 5.2332 5.2332 5.6422 5.6422 6.0325 6.0325 6.5393 6.5393 6.9285 6.9285 7.0776 7.0776 k = 0.5000 0.1543-0.9001 ( 8044 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9848 -26.9848 -26.9804 -26.9804 -10.8584 -10.8584 -10.8545 -10.8545 -10.7210 -10.7210 -10.7195 -10.7195 -10.6056 -10.6056 -10.5987 -10.5987 -10.5462 -10.5462 -10.5219 -10.5219 -10.4253 -10.4253 -10.4161 -10.4161 -10.3737 -10.3737 -10.3532 -10.3532 -6.3839 -6.3839 -5.3453 -5.3453 -5.0766 -5.0766 -4.8858 -4.8858 -4.4100 -4.4100 -4.3738 -4.3738 -3.9303 -3.9303 0.6212 0.6212 2.0036 2.0036 2.5304 2.5304 2.6963 2.6963 2.9153 2.9153 3.4421 3.4421 5.2327 5.2327 5.6414 5.6414 6.0377 6.0377 6.5401 6.5401 6.9218 6.9218 7.0746 7.0746 k = 0.5000 0.1543-0.9001 ( 8044 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9848 -26.9848 -26.9804 -26.9804 -10.8584 -10.8584 -10.8545 -10.8545 -10.7210 -10.7210 -10.7195 -10.7195 -10.6056 -10.6056 -10.5987 -10.5987 -10.5462 -10.5462 -10.5219 -10.5219 -10.4253 -10.4253 -10.4161 -10.4161 -10.3737 -10.3737 -10.3532 -10.3532 -6.3839 -6.3839 -5.3453 -5.3453 -5.0766 -5.0766 -4.8858 -4.8858 -4.4100 -4.4100 -4.3738 -4.3738 -3.9303 -3.9303 0.6212 0.6212 2.0036 2.0036 2.5304 2.5304 2.6963 2.6963 2.9153 2.9153 3.4421 3.4421 5.2327 5.2327 5.6414 5.6414 6.0377 6.0377 6.5401 6.5401 6.9218 6.9218 7.0746 7.0746 k = 0.5222 0.1612-0.8865 ( 8042 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9848 -26.9848 -26.9804 -26.9804 -10.8584 -10.8584 -10.8545 -10.8545 -10.7211 -10.7211 -10.7194 -10.7194 -10.6056 -10.6056 -10.5987 -10.5987 -10.5462 -10.5462 -10.5219 -10.5219 -10.4253 -10.4253 -10.4161 -10.4161 -10.3737 -10.3737 -10.3532 -10.3532 -6.3839 -6.3839 -5.3452 -5.3452 -5.0766 -5.0766 -4.8858 -4.8858 -4.4100 -4.4100 -4.3738 -4.3738 -3.9303 -3.9303 0.6209 0.6209 2.0052 2.0052 2.5240 2.5240 2.7024 2.7024 2.9155 2.9155 3.4417 3.4417 5.2289 5.2289 5.6450 5.6450 6.0390 6.0390 6.5382 6.5382 6.9090 6.9090 7.0905 7.0905 k = 0.5445 0.1680-0.8730 ( 8048 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9848 -26.9848 -26.9804 -26.9804 -10.8584 -10.8584 -10.8545 -10.8545 -10.7211 -10.7211 -10.7193 -10.7193 -10.6058 -10.6058 -10.5986 -10.5986 -10.5462 -10.5462 -10.5220 -10.5220 -10.4253 -10.4253 -10.4161 -10.4161 -10.3737 -10.3737 -10.3532 -10.3532 -6.3840 -6.3840 -5.3451 -5.3451 -5.0766 -5.0766 -4.8859 -4.8859 -4.4100 -4.4100 -4.3738 -4.3738 -3.9305 -3.9305 0.6200 0.6200 2.0097 2.0097 2.5071 2.5071 2.7183 2.7183 2.9160 2.9160 3.4406 3.4406 5.2179 5.2179 5.6551 5.6551 6.0429 6.0429 6.5322 6.5322 6.8819 6.8819 7.1275 7.1275 k = 0.5667 0.1749-0.8594 ( 8047 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9848 -26.9848 -26.9804 -26.9804 -10.8584 -10.8584 -10.8545 -10.8545 -10.7212 -10.7212 -10.7191 -10.7191 -10.6060 -10.6060 -10.5984 -10.5984 -10.5461 -10.5461 -10.5221 -10.5221 -10.4252 -10.4252 -10.4161 -10.4161 -10.3737 -10.3737 -10.3532 -10.3532 -6.3841 -6.3841 -5.3450 -5.3450 -5.0766 -5.0766 -4.8859 -4.8859 -4.4100 -4.4100 -4.3738 -4.3738 -3.9307 -3.9307 0.6185 0.6185 2.0171 2.0171 2.4844 2.4844 2.7394 2.7394 2.9170 2.9170 3.4387 3.4387 5.2011 5.2011 5.6707 5.6707 6.0494 6.0494 6.5203 6.5203 6.8545 6.8545 7.1730 7.1730 k = 0.5890 0.1818-0.8459 ( 8042 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9848 -26.9848 -26.9803 -26.9803 -10.8584 -10.8584 -10.8545 -10.8545 -10.7213 -10.7213 -10.7188 -10.7188 -10.6063 -10.6063 -10.5981 -10.5981 -10.5460 -10.5460 -10.5223 -10.5223 -10.4252 -10.4252 -10.4161 -10.4161 -10.3737 -10.3737 -10.3533 -10.3533 -6.3843 -6.3843 -5.3448 -5.3448 -5.0766 -5.0766 -4.8859 -4.8859 -4.4100 -4.4100 -4.3738 -4.3738 -3.9310 -3.9310 0.6165 0.6165 2.0270 2.0270 2.4593 2.4593 2.7623 2.7623 2.9183 2.9183 3.4362 3.4362 5.1802 5.1802 5.6903 5.6903 6.0582 6.0582 6.5010 6.5010 6.8337 6.8337 7.2214 7.2214 k = 0.6112 0.1886-0.8324 ( 8053 PWs) bands (ev): -27.1388 -27.1388 -27.1381 -27.1381 -26.9848 -26.9848 -26.9803 -26.9803 -10.8585 -10.8585 -10.8545 -10.8545 -10.7214 -10.7214 -10.7184 -10.7184 -10.6066 -10.6066 -10.5978 -10.5978 -10.5458 -10.5458 -10.5225 -10.5225 -10.4251 -10.4251 -10.4161 -10.4161 -10.3737 -10.3737 -10.3533 -10.3533 -6.3846 -6.3846 -5.3445 -5.3445 -5.0766 -5.0766 -4.8860 -4.8860 -4.4100 -4.4100 -4.3738 -4.3738 -3.9314 -3.9314 0.6140 0.6140 2.0391 2.0391 2.4341 2.4341 2.7851 2.7851 2.9199 2.9199 3.4331 3.4331 5.1568 5.1568 5.7124 5.7124 6.0694 6.0694 6.4734 6.4734 6.8227 6.8227 7.2704 7.2704 k = 0.6335 0.1955-0.8188 ( 8055 PWs) bands (ev): -27.1388 -27.1388 -27.1381 -27.1381 -26.9849 -26.9849 -26.9803 -26.9803 -10.8585 -10.8585 -10.8544 -10.8544 -10.7215 -10.7215 -10.7180 -10.7180 -10.6069 -10.6069 -10.5975 -10.5975 -10.5457 -10.5457 -10.5228 -10.5228 -10.4250 -10.4250 -10.4161 -10.4161 -10.3738 -10.3738 -10.3534 -10.3534 -6.3849 -6.3849 -5.3442 -5.3442 -5.0766 -5.0766 -4.8860 -4.8860 -4.4100 -4.4100 -4.3738 -4.3738 -3.9318 -3.9318 0.6111 0.6111 2.0526 2.0526 2.4104 2.4104 2.8066 2.8066 2.9219 2.9219 3.4295 3.4295 5.1323 5.1323 5.7357 5.7357 6.0827 6.0827 6.4385 6.4385 6.8215 6.8215 7.3182 7.3182 k = 0.6557 0.2024-0.8053 ( 8048 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9849 -26.9849 -26.9803 -26.9803 -10.8585 -10.8585 -10.8544 -10.8544 -10.7217 -10.7217 -10.7175 -10.7175 -10.6073 -10.6073 -10.5972 -10.5972 -10.5455 -10.5455 -10.5232 -10.5232 -10.4249 -10.4249 -10.4161 -10.4161 -10.3738 -10.3738 -10.3535 -10.3535 -6.3852 -6.3852 -5.3438 -5.3438 -5.0766 -5.0766 -4.8861 -4.8861 -4.4100 -4.4100 -4.3738 -4.3738 -3.9324 -3.9324 0.6078 0.6078 2.0666 2.0666 2.3895 2.3895 2.8259 2.8259 2.9242 2.9242 3.4254 3.4254 5.1079 5.1079 5.7592 5.7592 6.0978 6.0978 6.3986 6.3986 6.8289 6.8289 7.3636 7.3636 k = 0.6557 0.2024-0.8053 ( 8048 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9849 -26.9849 -26.9803 -26.9803 -10.8585 -10.8585 -10.8544 -10.8544 -10.7217 -10.7217 -10.7175 -10.7175 -10.6073 -10.6073 -10.5972 -10.5972 -10.5455 -10.5455 -10.5232 -10.5232 -10.4249 -10.4249 -10.4161 -10.4161 -10.3738 -10.3738 -10.3535 -10.3535 -6.3852 -6.3852 -5.3438 -5.3438 -5.0766 -5.0766 -4.8861 -4.8861 -4.4100 -4.4100 -4.3738 -4.3738 -3.9324 -3.9324 0.6078 0.6078 2.0666 2.0666 2.3895 2.3895 2.8259 2.8259 2.9242 2.9242 3.4254 3.4254 5.1079 5.1079 5.7592 5.7592 6.0978 6.0978 6.3986 6.3986 6.8289 6.8289 7.3636 7.3636 k = 0.6505 0.2008-0.7753 ( 8043 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9850 -26.9850 -26.9801 -26.9801 -10.8585 -10.8585 -10.8542 -10.8542 -10.7222 -10.7222 -10.7160 -10.7160 -10.6076 -10.6076 -10.5966 -10.5966 -10.5456 -10.5456 -10.5233 -10.5233 -10.4251 -10.4251 -10.4161 -10.4161 -10.3738 -10.3738 -10.3536 -10.3536 -6.3852 -6.3852 -5.3461 -5.3461 -5.0766 -5.0766 -4.8861 -4.8861 -4.4100 -4.4100 -4.3738 -4.3738 -3.9323 -3.9323 0.6055 0.6055 2.0783 2.0783 2.3784 2.3784 2.8298 2.8298 2.9243 2.9243 3.4233 3.4233 5.1160 5.1160 5.7743 5.7743 6.1029 6.1029 6.4002 6.4002 6.8336 6.8336 7.3538 7.3538 k = 0.6454 0.1992-0.7453 ( 8049 PWs) bands (ev): -27.1389 -27.1389 -27.1380 -27.1380 -26.9851 -26.9851 -26.9800 -26.9800 -10.8587 -10.8587 -10.8539 -10.8539 -10.7227 -10.7227 -10.7142 -10.7142 -10.6079 -10.6079 -10.5961 -10.5961 -10.5458 -10.5458 -10.5236 -10.5236 -10.4253 -10.4253 -10.4161 -10.4161 -10.3739 -10.3739 -10.3538 -10.3538 -6.3854 -6.3854 -5.3488 -5.3488 -5.0766 -5.0766 -4.8861 -4.8861 -4.4100 -4.4100 -4.3738 -4.3738 -3.9326 -3.9326 0.6022 0.6022 2.0920 2.0920 2.3677 2.3677 2.8348 2.8348 2.9241 2.9241 3.4208 3.4208 5.1268 5.1268 5.7912 5.7912 6.1092 6.1092 6.4009 6.4009 6.8409 6.8409 7.3426 7.3426 k = 0.6402 0.1976-0.7153 ( 8051 PWs) bands (ev): -27.1389 -27.1389 -27.1380 -27.1380 -26.9852 -26.9852 -26.9798 -26.9798 -10.8589 -10.8589 -10.8534 -10.8534 -10.7230 -10.7230 -10.7121 -10.7121 -10.6082 -10.6082 -10.5954 -10.5954 -10.5460 -10.5460 -10.5240 -10.5240 -10.4256 -10.4256 -10.4161 -10.4161 -10.3739 -10.3739 -10.3540 -10.3540 -6.3858 -6.3858 -5.3518 -5.3518 -5.0765 -5.0765 -4.8862 -4.8862 -4.4099 -4.4099 -4.3738 -4.3738 -3.9331 -3.9331 0.5979 0.5979 2.1075 2.1075 2.3577 2.3577 2.8408 2.8408 2.9238 2.9238 3.4180 3.4180 5.1403 5.1403 5.8101 5.8101 6.1169 6.1169 6.4006 6.4006 6.8500 6.8500 7.3295 7.3295 k = 0.6350 0.1960-0.6853 ( 8050 PWs) bands (ev): -27.1390 -27.1390 -27.1380 -27.1380 -26.9854 -26.9854 -26.9796 -26.9796 -10.8591 -10.8591 -10.8529 -10.8529 -10.7232 -10.7232 -10.7099 -10.7099 -10.6084 -10.6084 -10.5948 -10.5948 -10.5463 -10.5463 -10.5245 -10.5245 -10.4259 -10.4259 -10.4161 -10.4161 -10.3739 -10.3739 -10.3543 -10.3543 -6.3863 -6.3863 -5.3552 -5.3552 -5.0765 -5.0765 -4.8863 -4.8863 -4.4099 -4.4099 -4.3739 -4.3739 -3.9339 -3.9339 0.5926 0.5926 2.1244 2.1244 2.3486 2.3486 2.8480 2.8480 2.9234 2.9234 3.4148 3.4148 5.1563 5.1563 5.8312 5.8312 6.1258 6.1258 6.3992 6.3992 6.8597 6.8597 7.3140 7.3140 k = 0.6298 0.1944-0.6553 ( 8048 PWs) bands (ev): -27.1391 -27.1391 -27.1380 -27.1380 -26.9855 -26.9855 -26.9794 -26.9794 -10.8593 -10.8593 -10.8523 -10.8523 -10.7231 -10.7231 -10.7075 -10.7075 -10.6086 -10.6086 -10.5941 -10.5941 -10.5465 -10.5465 -10.5251 -10.5251 -10.4262 -10.4262 -10.4162 -10.4162 -10.3739 -10.3739 -10.3547 -10.3547 -6.3870 -6.3870 -5.3589 -5.3589 -5.0765 -5.0765 -4.8864 -4.8864 -4.4099 -4.4099 -4.3739 -4.3739 -3.9350 -3.9350 0.5865 0.5865 2.1421 2.1421 2.3409 2.3409 2.8562 2.8562 2.9230 2.9230 3.4114 3.4114 5.1744 5.1744 5.8545 5.8545 6.1359 6.1359 6.3967 6.3967 6.8686 6.8686 7.2956 7.2956 k = 0.6246 0.1928-0.6253 ( 8047 PWs) bands (ev): -27.1392 -27.1392 -27.1380 -27.1380 -26.9857 -26.9857 -26.9792 -26.9792 -10.8595 -10.8595 -10.8516 -10.8516 -10.7229 -10.7229 -10.7050 -10.7050 -10.6088 -10.6088 -10.5934 -10.5934 -10.5468 -10.5468 -10.5259 -10.5259 -10.4265 -10.4265 -10.4164 -10.4164 -10.3739 -10.3739 -10.3551 -10.3551 -6.3879 -6.3879 -5.3629 -5.3629 -5.0765 -5.0765 -4.8865 -4.8865 -4.4098 -4.4098 -4.3739 -4.3739 -3.9363 -3.9363 0.5796 0.5796 2.1600 2.1600 2.3353 2.3353 2.8654 2.8654 2.9226 2.9226 3.4076 3.4076 5.1943 5.1943 5.8798 5.8798 6.1472 6.1472 6.3929 6.3929 6.8750 6.8750 7.2748 7.2748 k = 0.6194 0.1912-0.5953 ( 8045 PWs) bands (ev): -27.1392 -27.1392 -27.1381 -27.1381 -26.9859 -26.9859 -26.9789 -26.9789 -10.8598 -10.8598 -10.8510 -10.8510 -10.7224 -10.7224 -10.7023 -10.7023 -10.6089 -10.6089 -10.5927 -10.5927 -10.5471 -10.5471 -10.5267 -10.5267 -10.4267 -10.4267 -10.4167 -10.4167 -10.3738 -10.3738 -10.3555 -10.3555 -6.3889 -6.3889 -5.3671 -5.3671 -5.0765 -5.0765 -4.8867 -4.8867 -4.4098 -4.4098 -4.3740 -4.3740 -3.9378 -3.9378 0.5722 0.5722 2.1767 2.1767 2.3328 2.3328 2.8753 2.8753 2.9226 2.9226 3.4037 3.4037 5.2158 5.2158 5.9068 5.9068 6.1596 6.1596 6.3878 6.3878 6.8768 6.8768 7.2527 7.2527 k = 0.6142 0.1896-0.5653 ( 8038 PWs) bands (ev): -27.1393 -27.1393 -27.1381 -27.1381 -26.9860 -26.9860 -26.9786 -26.9786 -10.8600 -10.8600 -10.8503 -10.8503 -10.7218 -10.7218 -10.6995 -10.6995 -10.6090 -10.6090 -10.5920 -10.5920 -10.5474 -10.5474 -10.5276 -10.5276 -10.4269 -10.4269 -10.4170 -10.4170 -10.3737 -10.3737 -10.3560 -10.3560 -6.3901 -6.3901 -5.3716 -5.3716 -5.0765 -5.0765 -4.8869 -4.8869 -4.4097 -4.4097 -4.3740 -4.3740 -3.9395 -3.9395 0.5643 0.5643 2.1907 2.1907 2.3349 2.3349 2.8854 2.8854 2.9236 2.9236 3.3995 3.3995 5.2385 5.2385 5.9349 5.9349 6.1731 6.1731 6.3813 6.3813 6.8720 6.8720 7.2312 7.2312 k = 0.6090 0.1880-0.5353 ( 8036 PWs) bands (ev): -27.1394 -27.1394 -27.1381 -27.1381 -26.9862 -26.9862 -26.9784 -26.9784 -10.8602 -10.8602 -10.8497 -10.8497 -10.7211 -10.7211 -10.6966 -10.6966 -10.6091 -10.6091 -10.5912 -10.5912 -10.5477 -10.5477 -10.5286 -10.5286 -10.4271 -10.4271 -10.4174 -10.4174 -10.3736 -10.3736 -10.3566 -10.3566 -6.3913 -6.3913 -5.3762 -5.3762 -5.0764 -5.0764 -4.8872 -4.8872 -4.4097 -4.4097 -4.3740 -4.3740 -3.9414 -3.9414 0.5560 0.5560 2.2004 2.2004 2.3432 2.3432 2.8944 2.8944 2.9270 2.9270 3.3952 3.3952 5.2619 5.2619 5.9634 5.9634 6.1875 6.1875 6.3733 6.3733 6.8589 6.8589 7.2127 7.2127 k = 0.6038 0.1864-0.5053 ( 8038 PWs) bands (ev): -27.1395 -27.1395 -27.1381 -27.1381 -26.9864 -26.9864 -26.9781 -26.9781 -10.8603 -10.8603 -10.8490 -10.8490 -10.7202 -10.7202 -10.6936 -10.6936 -10.6092 -10.6092 -10.5905 -10.5905 -10.5480 -10.5480 -10.5297 -10.5297 -10.4272 -10.4272 -10.4179 -10.4179 -10.3735 -10.3735 -10.3572 -10.3572 -6.3927 -6.3927 -5.3811 -5.3811 -5.0764 -5.0764 -4.8875 -4.8875 -4.4096 -4.4096 -4.3741 -4.3741 -3.9434 -3.9434 0.5474 0.5474 2.2050 2.2050 2.3580 2.3580 2.9004 2.9004 2.9346 2.9346 3.3908 3.3908 5.2855 5.2855 5.9909 5.9909 6.2026 6.2026 6.3641 6.3641 6.8374 6.8374 7.1985 7.1985 k = 0.5986 0.1848-0.4753 ( 8047 PWs) bands (ev): -27.1396 -27.1396 -27.1381 -27.1381 -26.9865 -26.9865 -26.9779 -26.9779 -10.8605 -10.8605 -10.8484 -10.8484 -10.7191 -10.7191 -10.6906 -10.6906 -10.6092 -10.6092 -10.5898 -10.5898 -10.5484 -10.5484 -10.5309 -10.5309 -10.4273 -10.4273 -10.4184 -10.4184 -10.3734 -10.3734 -10.3578 -10.3578 -6.3942 -6.3942 -5.3860 -5.3860 -5.0764 -5.0764 -4.8878 -4.8878 -4.4096 -4.4096 -4.3741 -4.3741 -3.9456 -3.9456 0.5387 0.5387 2.2052 2.2052 2.3788 2.3788 2.9029 2.9029 2.9469 2.9469 3.3864 3.3864 5.3088 5.3088 6.0151 6.0151 6.2184 6.2184 6.3547 6.3547 6.8095 6.8095 7.1887 7.1887 k = 0.5934 0.1832-0.4453 ( 8040 PWs) bands (ev): -27.1397 -27.1397 -27.1382 -27.1382 -26.9867 -26.9867 -26.9776 -26.9776 -10.8606 -10.8606 -10.8478 -10.8478 -10.7179 -10.7179 -10.6875 -10.6875 -10.6092 -10.6092 -10.5891 -10.5891 -10.5487 -10.5487 -10.5322 -10.5322 -10.4274 -10.4274 -10.4190 -10.4190 -10.3733 -10.3733 -10.3583 -10.3583 -6.3958 -6.3958 -5.3910 -5.3910 -5.0764 -5.0764 -4.8881 -4.8881 -4.4095 -4.4095 -4.3742 -4.3742 -3.9479 -3.9479 0.5299 0.5299 2.2023 2.2023 2.4040 2.4040 2.9034 2.9034 2.9625 2.9625 3.3820 3.3820 5.3312 5.3312 6.0328 6.0328 6.2343 6.2343 6.3471 6.3471 6.7790 6.7790 7.1819 7.1819 k = 0.5883 0.1815-0.4153 ( 8044 PWs) bands (ev): -27.1398 -27.1398 -27.1382 -27.1382 -26.9869 -26.9869 -26.9774 -26.9774 -10.8607 -10.8607 -10.8473 -10.8473 -10.7166 -10.7166 -10.6843 -10.6843 -10.6092 -10.6092 -10.5884 -10.5884 -10.5491 -10.5491 -10.5335 -10.5335 -10.4274 -10.4274 -10.4196 -10.4196 -10.3733 -10.3733 -10.3589 -10.3589 -6.3974 -6.3974 -5.3961 -5.3961 -5.0764 -5.0764 -4.8884 -4.8884 -4.4095 -4.4095 -4.3742 -4.3742 -3.9502 -3.9502 0.5212 0.5212 2.1973 2.1973 2.4323 2.4323 2.9030 2.9030 2.9803 2.9803 3.3776 3.3776 5.3521 5.3521 6.0395 6.0395 6.2500 6.2500 6.3446 6.3446 6.7500 6.7500 7.1764 7.1764 k = 0.5831 0.1799-0.3853 ( 8044 PWs) bands (ev): -27.1399 -27.1399 -27.1382 -27.1382 -26.9870 -26.9870 -26.9771 -26.9771 -10.8607 -10.8607 -10.8467 -10.8467 -10.7152 -10.7152 -10.6812 -10.6812 -10.6092 -10.6092 -10.5877 -10.5877 -10.5495 -10.5495 -10.5349 -10.5349 -10.4275 -10.4275 -10.4200 -10.4200 -10.3733 -10.3733 -10.3594 -10.3594 -6.3991 -6.3991 -5.4011 -5.4011 -5.0764 -5.0764 -4.8887 -4.8887 -4.4094 -4.4094 -4.3743 -4.3743 -3.9526 -3.9526 0.5126 0.5126 2.1911 2.1911 2.4628 2.4628 2.9022 2.9022 2.9997 2.9997 3.3735 3.3735 5.3707 5.3707 6.0312 6.0312 6.2652 6.2652 6.3501 6.3501 6.7266 6.7266 7.1707 7.1707 k = 0.5779 0.1783-0.3553 ( 8040 PWs) bands (ev): -27.1399 -27.1399 -27.1382 -27.1382 -26.9871 -26.9871 -26.9769 -26.9769 -10.8608 -10.8608 -10.8462 -10.8462 -10.7137 -10.7137 -10.6781 -10.6781 -10.6091 -10.6091 -10.5871 -10.5871 -10.5499 -10.5499 -10.5363 -10.5363 -10.4276 -10.4276 -10.4204 -10.4204 -10.3736 -10.3736 -10.3598 -10.3598 -6.4008 -6.4008 -5.4062 -5.4062 -5.0764 -5.0764 -4.8891 -4.8891 -4.4094 -4.4094 -4.3743 -4.3743 -3.9550 -3.9550 0.5041 0.5041 2.1844 2.1844 2.4945 2.4945 2.9013 2.9013 3.0203 3.0203 3.3695 3.3695 5.3863 5.3863 6.0065 6.0065 6.2802 6.2802 6.3633 6.3633 6.7121 6.7121 7.1642 7.1642 k = 0.5727 0.1767-0.3253 ( 8043 PWs) bands (ev): -27.1400 -27.1400 -27.1383 -27.1383 -26.9873 -26.9873 -26.9767 -26.9767 -10.8608 -10.8608 -10.8458 -10.8458 -10.7122 -10.7122 -10.6751 -10.6751 -10.6090 -10.6090 -10.5866 -10.5866 -10.5503 -10.5503 -10.5377 -10.5377 -10.4278 -10.4278 -10.4206 -10.4206 -10.3739 -10.3739 -10.3600 -10.3600 -6.4025 -6.4025 -5.4111 -5.4111 -5.0764 -5.0764 -4.8894 -4.8894 -4.4093 -4.4093 -4.3744 -4.3744 -3.9574 -3.9574 0.4960 0.4960 2.1773 2.1773 2.5269 2.5269 2.9006 2.9006 3.0419 3.0419 3.3658 3.3658 5.3984 5.3984 5.9678 5.9678 6.2953 6.2953 6.3813 6.3813 6.7090 6.7090 7.1565 7.1565 k = 0.5675 0.1751-0.2953 ( 8043 PWs) bands (ev): -27.1401 -27.1401 -27.1383 -27.1383 -26.9874 -26.9874 -26.9765 -26.9765 -10.8608 -10.8608 -10.8453 -10.8453 -10.7106 -10.7106 -10.6722 -10.6722 -10.6089 -10.6089 -10.5861 -10.5861 -10.5507 -10.5507 -10.5391 -10.5391 -10.4282 -10.4282 -10.4205 -10.4205 -10.3745 -10.3745 -10.3602 -10.3602 -6.4042 -6.4042 -5.4159 -5.4159 -5.0764 -5.0764 -4.8898 -4.8898 -4.4093 -4.4093 -4.3744 -4.3744 -3.9598 -3.9598 0.4882 0.4882 2.1702 2.1702 2.5595 2.5595 2.9000 2.9000 3.0641 3.0641 3.3626 3.3626 5.4065 5.4065 5.9188 5.9188 6.3101 6.3101 6.4003 6.4003 6.7187 6.7187 7.1478 7.1478 k = 0.5623 0.1735-0.2653 ( 8041 PWs) bands (ev): -27.1402 -27.1402 -27.1384 -27.1384 -26.9875 -26.9875 -26.9763 -26.9763 -10.8608 -10.8608 -10.8450 -10.8450 -10.7089 -10.7089 -10.6693 -10.6693 -10.6086 -10.6086 -10.5857 -10.5857 -10.5512 -10.5512 -10.5405 -10.5405 -10.4287 -10.4287 -10.4202 -10.4202 -10.3753 -10.3753 -10.3602 -10.3602 -6.4058 -6.4058 -5.4205 -5.4205 -5.0764 -5.0764 -4.8901 -4.8901 -4.4092 -4.4092 -4.3745 -4.3745 -3.9621 -3.9621 0.4807 0.4807 2.1633 2.1633 2.5918 2.5918 2.8998 2.8998 3.0866 3.0866 3.3599 3.3599 5.4101 5.4101 5.8632 5.8632 6.3243 6.3243 6.4183 6.4183 6.7413 6.7413 7.1386 7.1386 k = 0.5571 0.1719-0.2353 ( 8037 PWs) bands (ev): -27.1403 -27.1403 -27.1384 -27.1384 -26.9876 -26.9876 -26.9761 -26.9761 -10.8608 -10.8608 -10.8446 -10.8446 -10.7073 -10.7073 -10.6667 -10.6667 -10.6083 -10.6083 -10.5853 -10.5853 -10.5516 -10.5516 -10.5418 -10.5418 -10.4294 -10.4294 -10.4196 -10.4196 -10.3762 -10.3762 -10.3601 -10.3601 -6.4074 -6.4074 -5.4250 -5.4250 -5.0764 -5.0764 -4.8904 -4.8904 -4.4092 -4.4092 -4.3745 -4.3745 -3.9644 -3.9644 0.4737 0.4737 2.1565 2.1565 2.6232 2.6232 2.9001 2.9001 3.1091 3.1091 3.3578 3.3578 5.4091 5.4091 5.8041 5.8041 6.3376 6.3376 6.4347 6.4347 6.7756 6.7756 7.1293 7.1293 k = 0.5519 0.1703-0.2053 ( 8025 PWs) bands (ev): -27.1403 -27.1403 -27.1384 -27.1384 -26.9877 -26.9877 -26.9759 -26.9759 -10.8608 -10.8608 -10.8443 -10.8443 -10.7056 -10.7056 -10.6642 -10.6642 -10.6080 -10.6080 -10.5851 -10.5851 -10.5521 -10.5521 -10.5431 -10.5431 -10.4301 -10.4301 -10.4188 -10.4188 -10.3773 -10.3773 -10.3599 -10.3599 -6.4090 -6.4090 -5.4292 -5.4292 -5.0764 -5.0764 -4.8907 -4.8907 -4.4091 -4.4091 -4.3745 -4.3745 -3.9665 -3.9665 0.4672 0.4672 2.1502 2.1502 2.6533 2.6533 2.9011 2.9011 3.1311 3.1311 3.3566 3.3566 5.4038 5.4038 5.7438 5.7438 6.3501 6.3501 6.4500 6.4500 6.8194 6.8194 7.1204 7.1204 k = 0.5467 0.1687-0.1753 ( 8033 PWs) bands (ev): -27.1404 -27.1404 -27.1384 -27.1384 -26.9878 -26.9878 -26.9757 -26.9757 -10.8607 -10.8607 -10.8440 -10.8440 -10.7040 -10.7040 -10.6620 -10.6620 -10.6075 -10.6075 -10.5850 -10.5850 -10.5526 -10.5526 -10.5443 -10.5443 -10.4309 -10.4309 -10.4178 -10.4178 -10.3786 -10.3786 -10.3596 -10.3596 -6.4104 -6.4104 -5.4331 -5.4331 -5.0765 -5.0765 -4.8910 -4.8910 -4.4091 -4.4091 -4.3746 -4.3746 -3.9685 -3.9685 0.4612 0.4612 2.1442 2.1442 2.6814 2.6814 2.9030 2.9030 3.1522 3.1522 3.3564 3.3564 5.3946 5.3946 5.6844 5.6844 6.3618 6.3618 6.4646 6.4646 6.8704 6.8704 7.1121 7.1121 k = 0.5415 0.1671-0.1453 ( 8039 PWs) bands (ev): -27.1405 -27.1405 -27.1385 -27.1385 -26.9878 -26.9878 -26.9756 -26.9756 -10.8607 -10.8607 -10.8438 -10.8438 -10.7025 -10.7025 -10.6600 -10.6600 -10.6069 -10.6069 -10.5850 -10.5850 -10.5531 -10.5531 -10.5453 -10.5453 -10.4316 -10.4316 -10.4168 -10.4168 -10.3799 -10.3799 -10.3593 -10.3593 -6.4118 -6.4118 -5.4367 -5.4367 -5.0765 -5.0765 -4.8913 -4.8913 -4.4091 -4.4091 -4.3747 -4.3747 -3.9704 -3.9704 0.4558 0.4558 2.1388 2.1388 2.7070 2.7070 2.9059 2.9059 3.1717 3.1717 3.3572 3.3572 5.3822 5.3822 5.6272 5.6272 6.3730 6.3730 6.4787 6.4787 6.9264 6.9264 7.1047 7.1047 k = 0.5363 0.1655-0.1153 ( 8051 PWs) bands (ev): -27.1405 -27.1405 -27.1385 -27.1385 -26.9879 -26.9879 -26.9755 -26.9755 -10.8606 -10.8606 -10.8436 -10.8436 -10.7010 -10.7010 -10.6583 -10.6583 -10.6062 -10.6062 -10.5852 -10.5852 -10.5536 -10.5536 -10.5463 -10.5463 -10.4324 -10.4324 -10.4156 -10.4156 -10.3813 -10.3813 -10.3590 -10.3590 -6.4130 -6.4130 -5.4399 -5.4399 -5.0765 -5.0765 -4.8916 -4.8916 -4.4091 -4.4091 -4.3747 -4.3747 -3.9720 -3.9720 0.4509 0.4509 2.1338 2.1338 2.7296 2.7296 2.9099 2.9099 3.1892 3.1892 3.3594 3.3594 5.3678 5.3678 5.5736 5.5736 6.3836 6.3836 6.4924 6.4924 6.9859 6.9859 7.0982 7.0982 k = 0.5311 0.1639-0.0853 ( 8055 PWs) bands (ev): -27.1406 -27.1406 -27.1386 -27.1386 -26.9880 -26.9880 -26.9753 -26.9753 -10.8606 -10.8606 -10.8434 -10.8434 -10.6997 -10.6997 -10.6568 -10.6568 -10.6054 -10.6054 -10.5855 -10.5855 -10.5541 -10.5541 -10.5470 -10.5470 -10.4330 -10.4330 -10.4144 -10.4144 -10.3827 -10.3827 -10.3587 -10.3587 -6.4141 -6.4141 -5.4428 -5.4428 -5.0765 -5.0765 -4.8918 -4.8918 -4.4090 -4.4090 -4.3748 -4.3748 -3.9735 -3.9735 0.4467 0.4467 2.1295 2.1295 2.7486 2.7486 2.9151 2.9151 3.2042 3.2042 3.3627 3.3627 5.3523 5.3523 5.5248 5.5248 6.3937 6.3937 6.5053 6.5053 7.0473 7.0473 7.0927 7.0927 k = 0.5260 0.1623-0.0553 ( 8061 PWs) bands (ev): -27.1406 -27.1406 -27.1386 -27.1386 -26.9880 -26.9880 -26.9752 -26.9752 -10.8605 -10.8605 -10.8432 -10.8432 -10.6985 -10.6985 -10.6556 -10.6556 -10.6045 -10.6045 -10.5859 -10.5859 -10.5545 -10.5545 -10.5477 -10.5477 -10.4336 -10.4336 -10.4132 -10.4132 -10.3841 -10.3841 -10.3584 -10.3584 -6.4150 -6.4150 -5.4453 -5.4453 -5.0766 -5.0766 -4.8920 -4.8920 -4.4090 -4.4090 -4.3748 -4.3748 -3.9748 -3.9748 0.4431 0.4431 2.1257 2.1257 2.7640 2.7640 2.9211 2.9211 3.2165 3.2165 3.3671 3.3671 5.3368 5.3368 5.4816 5.4816 6.4031 6.4031 6.5170 6.5170 7.0878 7.0878 7.1096 7.1096 k = 0.5208 0.1607-0.0253 ( 8068 PWs) bands (ev): -27.1407 -27.1407 -27.1386 -27.1386 -26.9881 -26.9881 -26.9752 -26.9752 -10.8605 -10.8605 -10.8431 -10.8431 -10.6975 -10.6975 -10.6547 -10.6547 -10.6036 -10.6036 -10.5864 -10.5864 -10.5549 -10.5549 -10.5482 -10.5482 -10.4342 -10.4342 -10.4120 -10.4120 -10.3855 -10.3855 -10.3581 -10.3581 -6.4158 -6.4158 -5.4473 -5.4473 -5.0766 -5.0766 -4.8922 -4.8922 -4.4090 -4.4090 -4.3748 -4.3748 -3.9759 -3.9759 0.4401 0.4401 2.1226 2.1226 2.7758 2.7758 2.9275 2.9275 3.2260 3.2260 3.3721 3.3721 5.3225 5.3225 5.4450 5.4450 6.4113 6.4113 6.5273 6.5273 7.0843 7.0843 7.1702 7.1702 k = 0.5156 0.1591 0.0048 ( 8075 PWs) bands (ev): -27.1407 -27.1407 -27.1386 -27.1386 -26.9881 -26.9881 -26.9751 -26.9751 -10.8605 -10.8605 -10.8431 -10.8431 -10.6967 -10.6967 -10.6540 -10.6540 -10.6028 -10.6028 -10.5869 -10.5869 -10.5552 -10.5552 -10.5486 -10.5486 -10.4346 -10.4346 -10.4110 -10.4110 -10.3866 -10.3866 -10.3579 -10.3579 -6.4164 -6.4164 -5.4489 -5.4489 -5.0766 -5.0766 -4.8923 -4.8923 -4.4090 -4.4090 -4.3748 -4.3748 -3.9768 -3.9768 0.4377 0.4377 2.1202 2.1202 2.7843 2.7843 2.9337 2.9337 3.2329 3.2329 3.3771 3.3771 5.3103 5.3103 5.4156 5.4156 6.4181 6.4181 6.5356 6.5356 7.0816 7.0816 7.2275 7.2275 k = 0.5104 0.1575 0.0348 ( 8078 PWs) bands (ev): -27.1408 -27.1408 -27.1386 -27.1386 -26.9882 -26.9882 -26.9751 -26.9751 -10.8604 -10.8604 -10.8430 -10.8430 -10.6961 -10.6961 -10.6535 -10.6535 -10.6021 -10.6021 -10.5873 -10.5873 -10.5554 -10.5554 -10.5489 -10.5489 -10.4349 -10.4349 -10.4102 -10.4102 -10.3875 -10.3875 -10.3577 -10.3577 -6.4169 -6.4169 -5.4501 -5.4501 -5.0766 -5.0766 -4.8924 -4.8924 -4.4090 -4.4090 -4.3749 -4.3749 -3.9774 -3.9774 0.4360 0.4360 2.1184 2.1184 2.7900 2.7900 2.9387 2.9387 3.2375 3.2375 3.3812 3.3812 5.3009 5.3009 5.3942 5.3942 6.4232 6.4232 6.5418 6.5418 7.0796 7.0796 7.2774 7.2774 k = 0.5052 0.1559 0.0648 ( 8088 PWs) bands (ev): -27.1408 -27.1408 -27.1386 -27.1386 -26.9882 -26.9882 -26.9750 -26.9750 -10.8604 -10.8604 -10.8430 -10.8430 -10.6957 -10.6957 -10.6532 -10.6532 -10.6016 -10.6016 -10.5877 -10.5877 -10.5555 -10.5555 -10.5491 -10.5491 -10.4350 -10.4350 -10.4096 -10.4096 -10.3881 -10.3881 -10.3576 -10.3576 -6.4172 -6.4172 -5.4508 -5.4508 -5.0766 -5.0766 -4.8925 -4.8925 -4.4090 -4.4090 -4.3749 -4.3749 -3.9778 -3.9778 0.4350 0.4350 2.1174 2.1174 2.7932 2.7932 2.9420 2.9420 3.2402 3.2402 3.3840 3.3840 5.2951 5.2951 5.3812 5.3812 6.4264 6.4264 6.5457 6.5457 7.0784 7.0784 7.3135 7.3135 k = 0.5000 0.1543 0.0948 ( 8094 PWs) bands (ev): -27.1408 -27.1408 -27.1386 -27.1386 -26.9882 -26.9882 -26.9750 -26.9750 -10.8604 -10.8604 -10.8430 -10.8430 -10.6956 -10.6956 -10.6531 -10.6531 -10.6014 -10.6014 -10.5878 -10.5878 -10.5556 -10.5556 -10.5491 -10.5491 -10.4351 -10.4351 -10.4094 -10.4094 -10.3883 -10.3883 -10.3576 -10.3576 -6.4173 -6.4173 -5.4510 -5.4510 -5.0766 -5.0766 -4.8925 -4.8925 -4.4090 -4.4090 -4.3749 -4.3749 -3.9779 -3.9779 0.4347 0.4347 2.1170 2.1170 2.7942 2.7942 2.9432 2.9432 3.2410 3.2410 3.3850 3.3850 5.2931 5.2931 5.3768 5.3768 6.4274 6.4274 6.5469 6.5469 7.0781 7.0781 7.3272 7.3272 k = 0.5000-0.7329-0.4500 ( 8046 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9848 -26.9848 -26.9803 -26.9803 -10.8599 -10.8599 -10.8540 -10.8540 -10.7216 -10.7216 -10.7166 -10.7166 -10.6090 -10.6090 -10.5965 -10.5965 -10.5413 -10.5413 -10.5281 -10.5281 -10.4229 -10.4229 -10.4164 -10.4164 -10.3737 -10.3737 -10.3542 -10.3542 -6.3918 -6.3918 -5.3251 -5.3251 -5.0766 -5.0766 -4.8877 -4.8877 -4.4100 -4.4100 -4.3738 -4.3738 -3.9426 -3.9426 0.5751 0.5751 2.0275 2.0275 2.5687 2.5687 2.8291 2.8291 2.9406 2.9406 3.3855 3.3855 4.9395 4.9395 5.6058 5.6058 6.2749 6.2749 6.4417 6.4417 6.7971 6.7971 7.3017 7.3017 k = 0.5260-0.7200-0.4421 ( 8030 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9848 -26.9848 -26.9803 -26.9803 -10.8598 -10.8598 -10.8540 -10.8540 -10.7216 -10.7216 -10.7166 -10.7166 -10.6089 -10.6089 -10.5965 -10.5965 -10.5413 -10.5413 -10.5280 -10.5280 -10.4229 -10.4229 -10.4164 -10.4164 -10.3737 -10.3737 -10.3542 -10.3542 -6.3917 -6.3917 -5.3253 -5.3253 -5.0766 -5.0766 -4.8876 -4.8876 -4.4100 -4.4100 -4.3738 -4.3738 -3.9425 -3.9425 0.5755 0.5755 2.0287 2.0287 2.5630 2.5630 2.8323 2.8323 2.9405 2.9405 3.3860 3.3860 4.9398 4.9398 5.6102 5.6102 6.2728 6.2728 6.4345 6.4345 6.8027 6.8027 7.3046 7.3046 k = 0.5519-0.7072-0.4342 ( 8040 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9848 -26.9848 -26.9803 -26.9803 -10.8598 -10.8598 -10.8540 -10.8540 -10.7216 -10.7216 -10.7167 -10.7167 -10.6089 -10.6089 -10.5965 -10.5965 -10.5415 -10.5415 -10.5278 -10.5278 -10.4230 -10.4230 -10.4164 -10.4164 -10.3737 -10.3737 -10.3541 -10.3541 -6.3915 -6.3915 -5.3259 -5.3259 -5.0766 -5.0766 -4.8876 -4.8876 -4.4100 -4.4100 -4.3738 -4.3738 -3.9422 -3.9422 0.5764 0.5764 2.0322 2.0322 2.5471 2.5471 2.8406 2.8406 2.9402 2.9402 3.3872 3.3872 4.9408 4.9408 5.6231 5.6231 6.2666 6.2666 6.4148 6.4148 6.8173 6.8173 7.3135 7.3135 k = 0.5779-0.6943-0.4263 ( 8050 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9848 -26.9848 -26.9803 -26.9803 -10.8597 -10.8597 -10.8540 -10.8540 -10.7216 -10.7216 -10.7168 -10.7168 -10.6088 -10.6088 -10.5966 -10.5966 -10.5418 -10.5418 -10.5275 -10.5275 -10.4231 -10.4231 -10.4163 -10.4163 -10.3738 -10.3738 -10.3541 -10.3541 -6.3911 -6.3911 -5.3269 -5.3269 -5.0766 -5.0766 -4.8875 -4.8875 -4.4100 -4.4100 -4.3738 -4.3738 -3.9416 -3.9416 0.5780 0.5780 2.0378 2.0378 2.5238 2.5238 2.8514 2.8514 2.9398 2.9398 3.3892 3.3892 4.9432 4.9432 5.6434 5.6434 6.2566 6.2566 6.3872 6.3872 6.8359 6.8359 7.3292 7.3292 k = 0.6038-0.6814-0.4184 ( 8061 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9848 -26.9848 -26.9803 -26.9803 -10.8596 -10.8596 -10.8541 -10.8541 -10.7216 -10.7216 -10.7169 -10.7169 -10.6087 -10.6087 -10.5966 -10.5966 -10.5421 -10.5421 -10.5271 -10.5271 -10.4232 -10.4232 -10.4163 -10.4163 -10.3738 -10.3738 -10.3541 -10.3541 -6.3907 -6.3907 -5.3282 -5.3282 -5.0766 -5.0766 -4.8874 -4.8874 -4.4100 -4.4100 -4.3738 -4.3738 -3.9409 -3.9409 0.5801 0.5801 2.0452 2.0452 2.4962 2.4962 2.8622 2.8622 2.9393 2.9393 3.3920 3.3920 4.9477 4.9477 5.6695 5.6695 6.2433 6.2433 6.3565 6.3565 6.8536 6.8536 7.3521 7.3521 k = 0.6298-0.6686-0.4105 ( 8055 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9848 -26.9848 -26.9803 -26.9803 -10.8595 -10.8595 -10.8541 -10.8541 -10.7215 -10.7215 -10.7170 -10.7170 -10.6086 -10.6086 -10.5966 -10.5966 -10.5425 -10.5425 -10.5266 -10.5266 -10.4234 -10.4234 -10.4163 -10.4163 -10.3738 -10.3738 -10.3540 -10.3540 -6.3901 -6.3901 -5.3298 -5.3298 -5.0766 -5.0766 -4.8872 -4.8872 -4.4100 -4.4100 -4.3738 -4.3738 -3.9399 -3.9399 0.5828 0.5828 2.0540 2.0540 2.4669 2.4669 2.8708 2.8708 2.9387 2.9387 3.3953 3.3953 4.9550 4.9550 5.6990 5.6990 6.2275 6.2275 6.3267 6.3267 6.8670 6.8670 7.3819 7.3819 k = 0.6557-0.6557-0.4026 ( 8055 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9848 -26.9848 -26.9803 -26.9803 -10.8593 -10.8593 -10.8542 -10.8542 -10.7215 -10.7215 -10.7171 -10.7171 -10.6085 -10.6085 -10.5967 -10.5967 -10.5430 -10.5430 -10.5261 -10.5261 -10.4236 -10.4236 -10.4163 -10.4163 -10.3738 -10.3738 -10.3539 -10.3539 -6.3894 -6.3894 -5.3317 -5.3317 -5.0766 -5.0766 -4.8871 -4.8871 -4.4100 -4.4100 -4.3738 -4.3738 -3.9389 -3.9389 0.5859 0.5859 2.0633 2.0633 2.4383 2.4383 2.8760 2.8760 2.9380 2.9380 3.3991 3.3991 4.9658 4.9658 5.7291 5.7291 6.2099 6.2099 6.3014 6.3014 6.8745 6.8745 7.4166 7.4166 k = 0.6817-0.6429-0.3948 ( 8057 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9848 -26.9848 -26.9803 -26.9803 -10.8592 -10.8592 -10.8543 -10.8543 -10.7215 -10.7215 -10.7173 -10.7173 -10.6083 -10.6083 -10.5967 -10.5967 -10.5434 -10.5434 -10.5256 -10.5256 -10.4238 -10.4238 -10.4162 -10.4162 -10.3738 -10.3738 -10.3539 -10.3539 -6.3887 -6.3887 -5.3337 -5.3337 -5.0766 -5.0766 -4.8869 -4.8869 -4.4100 -4.4100 -4.3738 -4.3738 -3.9377 -3.9377 0.5893 0.5893 2.0721 2.0721 2.4124 2.4124 2.8775 2.8775 2.9368 2.9368 3.4033 3.4033 4.9805 4.9805 5.7562 5.7562 6.1913 6.1913 6.2842 6.2842 6.8759 6.8759 7.4514 7.4514 k = 0.7076-0.6300-0.3869 ( 8056 PWs) bands (ev): -27.1388 -27.1388 -27.1381 -27.1381 -26.9848 -26.9848 -26.9803 -26.9803 -10.8590 -10.8590 -10.8543 -10.8543 -10.7214 -10.7214 -10.7174 -10.7174 -10.6082 -10.6082 -10.5968 -10.5968 -10.5439 -10.5439 -10.5250 -10.5250 -10.4240 -10.4240 -10.4162 -10.4162 -10.3738 -10.3738 -10.3538 -10.3538 -6.3879 -6.3879 -5.3359 -5.3359 -5.0766 -5.0766 -4.8867 -4.8867 -4.4100 -4.4100 -4.3738 -4.3738 -3.9366 -3.9366 0.5930 0.5930 2.0791 2.0791 2.3916 2.3916 2.8749 2.8749 2.9350 2.9350 3.4077 3.4077 4.9992 4.9992 5.7764 5.7764 6.1721 6.1721 6.2791 6.2791 6.8719 6.8719 7.4769 7.4769 k = 0.7336-0.6172-0.3790 ( 8049 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9849 -26.9849 -26.9803 -26.9803 -10.8588 -10.8588 -10.8544 -10.8544 -10.7214 -10.7214 -10.7175 -10.7175 -10.6080 -10.6080 -10.5969 -10.5969 -10.5443 -10.5443 -10.5245 -10.5245 -10.4242 -10.4242 -10.4162 -10.4162 -10.3738 -10.3738 -10.3537 -10.3537 -6.3872 -6.3872 -5.3380 -5.3380 -5.0766 -5.0766 -4.8866 -4.8866 -4.4100 -4.4100 -4.3738 -4.3738 -3.9354 -3.9354 0.5969 0.5969 2.0827 2.0827 2.3778 2.3778 2.8684 2.8684 2.9327 2.9327 3.4123 3.4123 5.0219 5.0219 5.7867 5.7867 6.1527 6.1527 6.2888 6.2888 6.8639 6.8639 7.4809 7.4809 k = 0.7596-0.6043-0.3711 ( 8058 PWs) bands (ev): -27.1388 -27.1388 -27.1381 -27.1381 -26.9849 -26.9849 -26.9803 -26.9803 -10.8587 -10.8587 -10.8544 -10.8544 -10.7215 -10.7215 -10.7176 -10.7176 -10.6078 -10.6078 -10.5970 -10.5970 -10.5448 -10.5448 -10.5240 -10.5240 -10.4245 -10.4245 -10.4162 -10.4162 -10.3738 -10.3738 -10.3536 -10.3536 -6.3865 -6.3865 -5.3401 -5.3401 -5.0766 -5.0766 -4.8864 -4.8864 -4.4100 -4.4100 -4.3738 -4.3738 -3.9343 -3.9343 0.6007 0.6007 2.0817 2.0817 2.3728 2.3728 2.8579 2.8579 2.9299 2.9299 3.4168 3.4168 5.0481 5.0481 5.7862 5.7862 6.1334 6.1334 6.3138 6.3138 6.8530 6.8530 7.4583 7.4583 k = 0.7855-0.5914-0.3632 ( 8048 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9849 -26.9849 -26.9803 -26.9803 -10.8586 -10.8586 -10.8544 -10.8544 -10.7215 -10.7215 -10.7176 -10.7176 -10.6075 -10.6075 -10.5971 -10.5971 -10.5451 -10.5451 -10.5236 -10.5236 -10.4247 -10.4247 -10.4161 -10.4161 -10.3738 -10.3738 -10.3535 -10.3535 -6.3858 -6.3858 -5.3420 -5.3420 -5.0766 -5.0766 -4.8862 -4.8862 -4.4100 -4.4100 -4.3738 -4.3738 -3.9332 -3.9332 0.6044 0.6044 2.0760 2.0760 2.3770 2.3770 2.8436 2.8436 2.9270 2.9270 3.4212 3.4212 5.0771 5.0771 5.7761 5.7761 6.1149 6.1149 6.3518 6.3518 6.8408 6.8408 7.4163 7.4163 k = 0.8115-0.5786-0.3553 ( 8048 PWs) bands (ev): -27.1388 -27.1388 -27.1380 -27.1380 -26.9849 -26.9849 -26.9803 -26.9803 -10.8585 -10.8585 -10.8544 -10.8544 -10.7217 -10.7217 -10.7175 -10.7175 -10.6073 -10.6073 -10.5972 -10.5972 -10.5455 -10.5455 -10.5232 -10.5232 -10.4249 -10.4249 -10.4161 -10.4161 -10.3738 -10.3738 -10.3535 -10.3535 -6.3852 -6.3852 -5.3438 -5.3438 -5.0766 -5.0766 -4.8861 -4.8861 -4.4100 -4.4100 -4.3738 -4.3738 -3.9324 -3.9324 0.6078 0.6078 2.0666 2.0666 2.3895 2.3895 2.8259 2.8259 2.9242 2.9242 3.4254 3.4254 5.1079 5.1079 5.7592 5.7592 6.0978 6.0978 6.3986 6.3986 6.8289 6.8289 7.3636 7.3636 Writing output data file K4CdAs2.save init_run : 1.74s CPU 2.19s WALL ( 1 calls) electrons : 665.15s CPU 668.35s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.26s CPU 0.35s WALL ( 1 calls) Called by electrons: c_bands : 665.14s CPU 668.34s WALL ( 1 calls) v_of_rho : 0.08s CPU 0.09s WALL ( 1 calls) v_h : 0.00s CPU 0.01s WALL ( 1 calls) v_xc : 0.08s CPU 0.09s WALL ( 1 calls) newd : 0.42s CPU 0.69s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.08s CPU 0.11s WALL ( 217 calls) cegterg : 596.40s CPU 598.98s WALL ( 358 calls) Called by sum_band: Called by *egterg: h_psi : 548.69s CPU 550.53s WALL ( 5401 calls) s_psi : 9.34s CPU 9.35s WALL ( 5401 calls) g_psi : 0.43s CPU 0.41s WALL ( 4826 calls) cdiaghg : 69.40s CPU 70.10s WALL ( 5043 calls) cegterg:over : 12.09s CPU 12.11s WALL ( 4826 calls) cegterg:upda : 11.01s CPU 11.10s WALL ( 4826 calls) cegterg:last : 5.02s CPU 5.13s WALL ( 792 calls) cdiaghg:chol : 4.12s CPU 4.11s WALL ( 5043 calls) cdiaghg:inve : 2.97s CPU 3.00s WALL ( 5043 calls) cdiaghg:para : 5.20s CPU 5.26s WALL ( 10086 calls) Called by h_psi: h_psi:vloc : 526.49s CPU 528.41s WALL ( 5401 calls) h_psi:vnl : 21.63s CPU 21.59s WALL ( 5401 calls) add_vuspsi : 10.56s CPU 10.51s WALL ( 5401 calls) General routines calbec : 11.05s CPU 11.06s WALL ( 5401 calls) fft : 0.10s CPU 0.10s WALL ( 19 calls) ffts : 0.01s CPU 0.00s WALL ( 4 calls) fftw : 319.84s CPU 321.10s WALL ( 753368 calls) interpolate : 0.03s CPU 0.03s WALL ( 4 calls) davcio : 0.25s CPU 0.34s WALL ( 434 calls) Parallel routines fft_scatter : 78.16s CPU 78.49s WALL ( 753391 calls) PWSCF : 11m27.99s CPU 11m49.49s WALL This run was terminated on: 19:37:17 27Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=