Program PWSCF v.5.4.0 starts on 22Mar2017 at 2: 8:47 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 & OpenMP), running on 144 processor cores Number of MPI processes: 72 Threads/MPI process: 2 R & G space division: proc/nbgrp/npool/nimage = 72 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./Cs2Se.save/ Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per band group will be used scalapack distributed-memory algorithm (size of sub-group: 6* 6 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 74 74 20 2970 2970 418 Max 75 75 21 2975 2975 420 Sum 5395 5395 1457 214091 214091 30177 bravais-lattice index = 14 lattice parameter (alat) = 19.1316 a.u. unit-cell volume = 2214.6461 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 80.0000 Ry charge density cutoff = 320.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 19.131611 celldm(2)= 0.880457 celldm(3)= 0.669858 celldm(4)= 0.189829 celldm(5)= 0.502722 celldm(6)= 0.753299 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.663248 0.579058 0.000000 ) a(3) = ( 0.336752 -0.192369 0.546170 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -1.145392 -1.019993 ) b(2) = ( 0.000000 1.726944 0.608254 ) b(3) = ( 0.000000 0.000000 1.830931 ) PseudoPot. # 1 for Se read from file: /users/gautes/Pseudo/Se.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 38611c150961c07dbd63be353364166d Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1211 points, 6 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Cs read from file: /users/gautes/Pseudo/Cs.rel-pbe-oncvpsp.UPF MD5 check sum: b26d75608c6aa7e713949ad9f7a49707 Pseudo is Norm-conserving, Zval = 9.0 Generated using ONCVPSP code by D. R. Hamann Using radial grid of 2414 points, 14 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 l(11) = 3 l(12) = 3 l(13) = 3 l(14) = 3 atomic species valence mass pseudopotential Se 6.00 78.96000 Se( 1.00) Cs 9.00 132.90550 Cs( 1.00) No symmetry 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 ) double point group C_1 (1) there are 2 classes and 1 irreducible representations the character table: E -E G_2 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E Cartesian axes number of k points= 280 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 2) = ( 0.0185185 -0.0212110 0.0150174), wk = 0.0035714 k( 3) = ( 0.0370370 -0.0424219 0.0300347), wk = 0.0035714 k( 4) = ( 0.0555556 -0.0636329 0.0450521), wk = 0.0035714 k( 5) = ( 0.0740741 -0.0848439 0.0600695), wk = 0.0035714 k( 6) = ( 0.0925926 -0.1060548 0.0750869), wk = 0.0035714 k( 7) = ( 0.1111111 -0.1272658 0.0901042), wk = 0.0035714 k( 8) = ( 0.1296296 -0.1484768 0.1051216), wk = 0.0035714 k( 9) = ( 0.1481482 -0.1696877 0.1201390), wk = 0.0035714 k( 10) = ( 0.1666667 -0.1908987 0.1351563), wk = 0.0035714 k( 11) = ( 0.1851852 -0.2121097 0.1501737), wk = 0.0035714 k( 12) = ( 0.2037037 -0.2333206 0.1651911), wk = 0.0035714 k( 13) = ( 0.2222222 -0.2545316 0.1802084), wk = 0.0035714 k( 14) = ( 0.2407407 -0.2757425 0.1952258), wk = 0.0035714 k( 15) = ( 0.2592593 -0.2969535 0.2102432), wk = 0.0035714 k( 16) = ( 0.2777778 -0.3181645 0.2252606), wk = 0.0035714 k( 17) = ( 0.2962963 -0.3393754 0.2402779), wk = 0.0035714 k( 18) = ( 0.3148148 -0.3605864 0.2552953), wk = 0.0035714 k( 19) = ( 0.3333333 -0.3817974 0.2703127), wk = 0.0035714 k( 20) = ( 0.3518519 -0.4030083 0.2853300), wk = 0.0035714 k( 21) = ( 0.3703704 -0.4242193 0.3003474), wk = 0.0035714 k( 22) = ( 0.3888889 -0.4454303 0.3153648), wk = 0.0035714 k( 23) = ( 0.4074074 -0.4666412 0.3303822), wk = 0.0035714 k( 24) = ( 0.4259259 -0.4878522 0.3453995), wk = 0.0035714 k( 25) = ( 0.4444444 -0.5090631 0.3604169), wk = 0.0035714 k( 26) = ( 0.4629630 -0.5302741 0.3754343), wk = 0.0035714 k( 27) = ( 0.4814815 -0.5514851 0.3904516), wk = 0.0035714 k( 28) = ( 0.5000000 -0.5726960 0.4054690), wk = 0.0035714 k( 29) = ( 0.5000000 -0.5726960 0.4054690), wk = 0.0035714 k( 30) = ( 0.5250000 -0.5581572 0.3951755), wk = 0.0035714 k( 31) = ( 0.5500000 -0.5436184 0.3848821), wk = 0.0035714 k( 32) = ( 0.5750000 -0.5290796 0.3745886), wk = 0.0035714 k( 33) = ( 0.6000000 -0.5145408 0.3642951), wk = 0.0035714 k( 34) = ( 0.6250000 -0.5000020 0.3540016), wk = 0.0035714 k( 35) = ( 0.6500000 -0.4854632 0.3437082), wk = 0.0035714 k( 36) = ( 0.6750000 -0.4709244 0.3334147), wk = 0.0035714 k( 37) = ( 0.7000000 -0.4563856 0.3231212), wk = 0.0035714 k( 38) = ( 0.7250000 -0.4418468 0.3128277), wk = 0.0035714 k( 39) = ( 0.7500000 -0.4273080 0.3025342), wk = 0.0035714 k( 40) = ( 0.7750000 -0.4127692 0.2922408), wk = 0.0035714 k( 41) = ( 0.8000000 -0.3982304 0.2819473), wk = 0.0035714 k( 42) = ( 0.8250000 -0.3836916 0.2716538), wk = 0.0035714 k( 43) = ( 0.8500000 -0.3691528 0.2613603), wk = 0.0035714 k( 44) = ( 0.8750000 -0.3546140 0.2510669), wk = 0.0035714 k( 45) = ( 0.9000000 -0.3400752 0.2407734), wk = 0.0035714 k( 46) = ( 0.9250000 -0.3255364 0.2304799), wk = 0.0035714 k( 47) = ( 0.9500000 -0.3109976 0.2201864), wk = 0.0035714 k( 48) = ( 0.9750000 -0.2964588 0.2098930), wk = 0.0035714 k( 49) = ( 1.0000000 -0.2819200 0.1995995), wk = 0.0035714 k( 50) = ( 1.0000000 -0.2819200 0.1995995), wk = 0.0035714 k( 51) = ( 0.9814815 -0.2607090 0.1845821), wk = 0.0035714 k( 52) = ( 0.9629630 -0.2394981 0.1695647), wk = 0.0035714 k( 53) = ( 0.9444444 -0.2182871 0.1545474), wk = 0.0035714 k( 54) = ( 0.9259259 -0.1970762 0.1395300), wk = 0.0035714 k( 55) = ( 0.9074074 -0.1758652 0.1245126), wk = 0.0035714 k( 56) = ( 0.8888889 -0.1546542 0.1094953), wk = 0.0035714 k( 57) = ( 0.8703704 -0.1334433 0.0944779), wk = 0.0035714 k( 58) = ( 0.8518518 -0.1122323 0.0794605), wk = 0.0035714 k( 59) = ( 0.8333333 -0.0910213 0.0644431), wk = 0.0035714 k( 60) = ( 0.8148148 -0.0698104 0.0494258), wk = 0.0035714 k( 61) = ( 0.7962963 -0.0485994 0.0344084), wk = 0.0035714 k( 62) = ( 0.7777778 -0.0273884 0.0193910), wk = 0.0035714 k( 63) = ( 0.7592593 -0.0061775 0.0043737), wk = 0.0035714 k( 64) = ( 0.7407407 0.0150335 -0.0106437), wk = 0.0035714 k( 65) = ( 0.7222222 0.0362445 -0.0256611), wk = 0.0035714 k( 66) = ( 0.7037037 0.0574554 -0.0406785), wk = 0.0035714 k( 67) = ( 0.6851852 0.0786664 -0.0556958), wk = 0.0035714 k( 68) = ( 0.6666667 0.0998773 -0.0707132), wk = 0.0035714 k( 69) = ( 0.6481482 0.1210883 -0.0857306), wk = 0.0035714 k( 70) = ( 0.6296296 0.1422993 -0.1007479), wk = 0.0035714 k( 71) = ( 0.6111111 0.1635102 -0.1157653), wk = 0.0035714 k( 72) = ( 0.5925926 0.1847212 -0.1307827), wk = 0.0035714 k( 73) = ( 0.5740741 0.2059322 -0.1458001), wk = 0.0035714 k( 74) = ( 0.5555556 0.2271431 -0.1608174), wk = 0.0035714 k( 75) = ( 0.5370370 0.2483541 -0.1758348), wk = 0.0035714 k( 76) = ( 0.5185185 0.2695651 -0.1908522), wk = 0.0035714 k( 77) = ( 0.5000000 0.2907760 -0.2058695), wk = 0.0035714 k( 78) = ( 0.5000000 0.2907760 -0.2058695), wk = 0.0035714 k( 79) = ( 0.4750000 0.2762372 -0.1955761), wk = 0.0035714 k( 80) = ( 0.4500000 0.2616984 -0.1852826), wk = 0.0035714 k( 81) = ( 0.4250000 0.2471596 -0.1749891), wk = 0.0035714 k( 82) = ( 0.4000000 0.2326208 -0.1646956), wk = 0.0035714 k( 83) = ( 0.3750000 0.2180820 -0.1544022), wk = 0.0035714 k( 84) = ( 0.3500000 0.2035432 -0.1441087), wk = 0.0035714 k( 85) = ( 0.3250000 0.1890044 -0.1338152), wk = 0.0035714 k( 86) = ( 0.3000000 0.1744656 -0.1235217), wk = 0.0035714 k( 87) = ( 0.2750000 0.1599268 -0.1132282), wk = 0.0035714 k( 88) = ( 0.2500000 0.1453880 -0.1029348), wk = 0.0035714 k( 89) = ( 0.2250000 0.1308492 -0.0926413), wk = 0.0035714 k( 90) = ( 0.2000000 0.1163104 -0.0823478), wk = 0.0035714 k( 91) = ( 0.1750000 0.1017716 -0.0720543), wk = 0.0035714 k( 92) = ( 0.1500000 0.0872328 -0.0617609), wk = 0.0035714 k( 93) = ( 0.1250000 0.0726940 -0.0514674), wk = 0.0035714 k( 94) = ( 0.1000000 0.0581552 -0.0411739), wk = 0.0035714 k( 95) = ( 0.0750000 0.0436164 -0.0308804), wk = 0.0035714 k( 96) = ( 0.0500000 0.0290776 -0.0205870), wk = 0.0035714 k( 97) = ( 0.0250000 0.0145388 -0.0102935), wk = 0.0035714 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 100) = ( 0.0000000 0.0185186 0.0261562), wk = 0.0035714 k( 101) = ( 0.0000000 0.0370371 0.0523123), wk = 0.0035714 k( 102) = ( 0.0000000 0.0555557 0.0784685), wk = 0.0035714 k( 103) = ( 0.0000000 0.0740743 0.1046246), wk = 0.0035714 k( 104) = ( 0.0000000 0.0925929 0.1307808), wk = 0.0035714 k( 105) = ( 0.0000000 0.1111114 0.1569370), wk = 0.0035714 k( 106) = ( 0.0000000 0.1296300 0.1830931), wk = 0.0035714 k( 107) = ( 0.0000000 0.1481486 0.2092493), wk = 0.0035714 k( 108) = ( 0.0000000 0.1666671 0.2354054), wk = 0.0035714 k( 109) = ( 0.0000000 0.1851857 0.2615616), wk = 0.0035714 k( 110) = ( 0.0000000 0.2037043 0.2877178), wk = 0.0035714 k( 111) = ( 0.0000000 0.2222229 0.3138739), wk = 0.0035714 k( 112) = ( 0.0000000 0.2407414 0.3400301), wk = 0.0035714 k( 113) = ( 0.0000000 0.2592600 0.3661862), wk = 0.0035714 k( 114) = ( 0.0000000 0.2777786 0.3923424), wk = 0.0035714 k( 115) = ( 0.0000000 0.2962971 0.4184986), wk = 0.0035714 k( 116) = ( 0.0000000 0.3148157 0.4446547), wk = 0.0035714 k( 117) = ( 0.0000000 0.3333343 0.4708109), wk = 0.0035714 k( 118) = ( 0.0000000 0.3518528 0.4969670), wk = 0.0035714 k( 119) = ( 0.0000000 0.3703714 0.5231232), wk = 0.0035714 k( 120) = ( 0.0000000 0.3888900 0.5492794), wk = 0.0035714 k( 121) = ( 0.0000000 0.4074086 0.5754355), wk = 0.0035714 k( 122) = ( 0.0000000 0.4259271 0.6015917), wk = 0.0035714 k( 123) = ( 0.0000000 0.4444457 0.6277478), wk = 0.0035714 k( 124) = ( 0.0000000 0.4629643 0.6539040), wk = 0.0035714 k( 125) = ( 0.0000000 0.4814829 0.6800602), wk = 0.0035714 k( 126) = ( 0.0000000 0.5000014 0.7062163), wk = 0.0035714 k( 127) = ( 0.0000000 0.5185200 0.7323725), wk = 0.0035714 k( 128) = ( 0.0000000 0.5370386 0.7585287), wk = 0.0035714 k( 129) = ( 0.0000000 0.5555571 0.7846848), wk = 0.0035714 k( 130) = ( 0.0000000 0.5740757 0.8108410), wk = 0.0035714 k( 131) = ( 0.0000000 0.5925943 0.8369971), wk = 0.0035714 k( 132) = ( 0.0000000 0.6111129 0.8631533), wk = 0.0035714 k( 133) = ( 0.0000000 0.6296314 0.8893095), wk = 0.0035714 k( 134) = ( 0.0000000 0.6481500 0.9154656), wk = 0.0035714 k( 135) = ( 0.0000000 0.6481500 0.9154656), wk = 0.0035714 k( 136) = ( 0.0161290 0.6204155 0.9154656), wk = 0.0035714 k( 137) = ( 0.0322581 0.5926811 0.9154656), wk = 0.0035714 k( 138) = ( 0.0483871 0.5649466 0.9154656), wk = 0.0035714 k( 139) = ( 0.0645161 0.5372122 0.9154656), wk = 0.0035714 k( 140) = ( 0.0806452 0.5094777 0.9154656), wk = 0.0035714 k( 141) = ( 0.0967742 0.4817432 0.9154656), wk = 0.0035714 k( 142) = ( 0.1129032 0.4540088 0.9154656), wk = 0.0035714 k( 143) = ( 0.1290323 0.4262743 0.9154656), wk = 0.0035714 k( 144) = ( 0.1451613 0.3985399 0.9154656), wk = 0.0035714 k( 145) = ( 0.1612903 0.3708054 0.9154656), wk = 0.0035714 k( 146) = ( 0.1774194 0.3430709 0.9154656), wk = 0.0035714 k( 147) = ( 0.1935484 0.3153365 0.9154656), wk = 0.0035714 k( 148) = ( 0.2096774 0.2876020 0.9154656), wk = 0.0035714 k( 149) = ( 0.2258064 0.2598676 0.9154656), wk = 0.0035714 k( 150) = ( 0.2419355 0.2321331 0.9154656), wk = 0.0035714 k( 151) = ( 0.2580645 0.2043986 0.9154656), wk = 0.0035714 k( 152) = ( 0.2741936 0.1766642 0.9154656), wk = 0.0035714 k( 153) = ( 0.2903226 0.1489297 0.9154656), wk = 0.0035714 k( 154) = ( 0.3064516 0.1211953 0.9154656), wk = 0.0035714 k( 155) = ( 0.3225807 0.0934608 0.9154656), wk = 0.0035714 k( 156) = ( 0.3387097 0.0657263 0.9154656), wk = 0.0035714 k( 157) = ( 0.3548387 0.0379919 0.9154656), wk = 0.0035714 k( 158) = ( 0.3709677 0.0102574 0.9154656), wk = 0.0035714 k( 159) = ( 0.3870968 -0.0174770 0.9154656), wk = 0.0035714 k( 160) = ( 0.4032258 -0.0452115 0.9154656), wk = 0.0035714 k( 161) = ( 0.4193548 -0.0729460 0.9154656), wk = 0.0035714 k( 162) = ( 0.4354839 -0.1006804 0.9154656), wk = 0.0035714 k( 163) = ( 0.4516129 -0.1284149 0.9154656), wk = 0.0035714 k( 164) = ( 0.4677419 -0.1561493 0.9154656), wk = 0.0035714 k( 165) = ( 0.4838710 -0.1838838 0.9154656), wk = 0.0035714 k( 166) = ( 0.5000000 -0.2116183 0.9154656), wk = 0.0035714 k( 167) = ( 0.5000000 -0.2116183 0.9154656), wk = 0.0035714 k( 168) = ( 0.5000000 -0.2296721 0.8899658), wk = 0.0035714 k( 169) = ( 0.5000000 -0.2477260 0.8644660), wk = 0.0035714 k( 170) = ( 0.5000000 -0.2657799 0.8389661), wk = 0.0035714 k( 171) = ( 0.5000000 -0.2838338 0.8134663), wk = 0.0035714 k( 172) = ( 0.5000000 -0.3018877 0.7879665), wk = 0.0035714 k( 173) = ( 0.5000000 -0.3199416 0.7624666), wk = 0.0035714 k( 174) = ( 0.5000000 -0.3379955 0.7369668), wk = 0.0035714 k( 175) = ( 0.5000000 -0.3560494 0.7114670), wk = 0.0035714 k( 176) = ( 0.5000000 -0.3741033 0.6859671), wk = 0.0035714 k( 177) = ( 0.5000000 -0.3921572 0.6604673), wk = 0.0035714 k( 178) = ( 0.5000000 -0.4102110 0.6349675), wk = 0.0035714 k( 179) = ( 0.5000000 -0.4282649 0.6094676), wk = 0.0035714 k( 180) = ( 0.5000000 -0.4463188 0.5839678), wk = 0.0035714 k( 181) = ( 0.5000000 -0.4643727 0.5584680), wk = 0.0035714 k( 182) = ( 0.5000000 -0.4824266 0.5329682), wk = 0.0035714 k( 183) = ( 0.5000000 -0.5004805 0.5074683), wk = 0.0035714 k( 184) = ( 0.5000000 -0.5185344 0.4819685), wk = 0.0035714 k( 185) = ( 0.5000000 -0.5365883 0.4564687), wk = 0.0035714 k( 186) = ( 0.5000000 -0.5546422 0.4309688), wk = 0.0035714 k( 187) = ( 0.5000000 -0.5726960 0.4054690), wk = 0.0035714 k( 188) = ( 1.0000000 -0.2819200 0.1995995), wk = 0.0035714 k( 189) = ( 1.0000000 -0.2639765 0.2249434), wk = 0.0035714 k( 190) = ( 1.0000000 -0.2460330 0.2502873), wk = 0.0035714 k( 191) = ( 1.0000000 -0.2280895 0.2756312), wk = 0.0035714 k( 192) = ( 1.0000000 -0.2101460 0.3009752), wk = 0.0035714 k( 193) = ( 1.0000000 -0.1922025 0.3263191), wk = 0.0035714 k( 194) = ( 1.0000000 -0.1742590 0.3516630), wk = 0.0035714 k( 195) = ( 1.0000000 -0.1563155 0.3770069), wk = 0.0035714 k( 196) = ( 1.0000000 -0.1383720 0.4023509), wk = 0.0035714 k( 197) = ( 1.0000000 -0.1204285 0.4276948), wk = 0.0035714 k( 198) = ( 1.0000000 -0.1024850 0.4530387), wk = 0.0035714 k( 199) = ( 1.0000000 -0.0845415 0.4783826), wk = 0.0035714 k( 200) = ( 1.0000000 -0.0665979 0.5037265), wk = 0.0035714 k( 201) = ( 0.0000000 0.6481500 0.9154656), wk = 0.0035714 k( 202) = ( 0.0238095 0.6550557 0.8958590), wk = 0.0035714 k( 203) = ( 0.0476191 0.6619615 0.8762524), wk = 0.0035714 k( 204) = ( 0.0714286 0.6688672 0.8566458), wk = 0.0035714 k( 205) = ( 0.0952381 0.6757729 0.8370391), wk = 0.0035714 k( 206) = ( 0.1190476 0.6826786 0.8174325), wk = 0.0035714 k( 207) = ( 0.1428571 0.6895844 0.7978259), wk = 0.0035714 k( 208) = ( 0.1666667 0.6964901 0.7782193), wk = 0.0035714 k( 209) = ( 0.1904762 0.7033958 0.7586126), wk = 0.0035714 k( 210) = ( 0.2142857 0.7103016 0.7390060), wk = 0.0035714 k( 211) = ( 0.2380952 0.7172073 0.7193994), wk = 0.0035714 k( 212) = ( 0.2619048 0.7241130 0.6997928), wk = 0.0035714 k( 213) = ( 0.2857143 0.7310187 0.6801861), wk = 0.0035714 k( 214) = ( 0.3095238 0.7379245 0.6605795), wk = 0.0035714 k( 215) = ( 0.3333333 0.7448302 0.6409729), wk = 0.0035714 k( 216) = ( 0.3571429 0.7517359 0.6213663), wk = 0.0035714 k( 217) = ( 0.3809524 0.7586417 0.6017596), wk = 0.0035714 k( 218) = ( 0.4047619 0.7655474 0.5821530), wk = 0.0035714 k( 219) = ( 0.4285714 0.7724531 0.5625464), wk = 0.0035714 k( 220) = ( 0.4523810 0.7793589 0.5429398), wk = 0.0035714 k( 221) = ( 0.4761905 0.7862646 0.5233331), wk = 0.0035714 k( 222) = ( 0.5000000 0.7931703 0.5037265), wk = 0.0035714 k( 223) = ( 0.5000000 0.7931703 0.5037265), wk = 0.0035714 k( 224) = ( 0.5000000 0.7745631 0.4774452), wk = 0.0035714 k( 225) = ( 0.5000000 0.7559559 0.4511639), wk = 0.0035714 k( 226) = ( 0.5000000 0.7373487 0.4248825), wk = 0.0035714 k( 227) = ( 0.5000000 0.7187415 0.3986012), wk = 0.0035714 k( 228) = ( 0.5000000 0.7001343 0.3723199), wk = 0.0035714 k( 229) = ( 0.5000000 0.6815271 0.3460385), wk = 0.0035714 k( 230) = ( 0.5000000 0.6629200 0.3197572), wk = 0.0035714 k( 231) = ( 0.5000000 0.6443128 0.2934758), wk = 0.0035714 k( 232) = ( 0.5000000 0.6257056 0.2671945), wk = 0.0035714 k( 233) = ( 0.5000000 0.6070984 0.2409132), wk = 0.0035714 k( 234) = ( 0.5000000 0.5884912 0.2146318), wk = 0.0035714 k( 235) = ( 0.5000000 0.5698840 0.1883505), wk = 0.0035714 k( 236) = ( 0.5000000 0.5512768 0.1620692), wk = 0.0035714 k( 237) = ( 0.5000000 0.5326696 0.1357878), wk = 0.0035714 k( 238) = ( 0.5000000 0.5140624 0.1095065), wk = 0.0035714 k( 239) = ( 0.5000000 0.4954552 0.0832251), wk = 0.0035714 k( 240) = ( 0.5000000 0.4768480 0.0569438), wk = 0.0035714 k( 241) = ( 0.5000000 0.4582408 0.0306625), wk = 0.0035714 k( 242) = ( 0.5000000 0.4396336 0.0043811), wk = 0.0035714 k( 243) = ( 0.5000000 0.4210264 -0.0219002), wk = 0.0035714 k( 244) = ( 0.5000000 0.4024192 -0.0481815), wk = 0.0035714 k( 245) = ( 0.5000000 0.3838120 -0.0744629), wk = 0.0035714 k( 246) = ( 0.5000000 0.3652048 -0.1007442), wk = 0.0035714 k( 247) = ( 0.5000000 0.3465976 -0.1270255), wk = 0.0035714 k( 248) = ( 0.5000000 0.3279904 -0.1533069), wk = 0.0035714 k( 249) = ( 0.5000000 0.3093832 -0.1795882), wk = 0.0035714 k( 250) = ( 0.5000000 0.2907760 -0.2058695), wk = 0.0035714 k( 251) = ( 0.5000000 0.2907760 0.7095961), wk = 0.0035714 k( 252) = ( 0.4827586 0.2807493 0.6851272), wk = 0.0035714 k( 253) = ( 0.4655172 0.2707225 0.6606584), wk = 0.0035714 k( 254) = ( 0.4482759 0.2606957 0.6361896), wk = 0.0035714 k( 255) = ( 0.4310345 0.2506690 0.6117207), wk = 0.0035714 k( 256) = ( 0.4137931 0.2406422 0.5872519), wk = 0.0035714 k( 257) = ( 0.3965517 0.2306155 0.5627831), wk = 0.0035714 k( 258) = ( 0.3793103 0.2205887 0.5383143), wk = 0.0035714 k( 259) = ( 0.3620690 0.2105620 0.5138454), wk = 0.0035714 k( 260) = ( 0.3448276 0.2005352 0.4893766), wk = 0.0035714 k( 261) = ( 0.3275862 0.1905084 0.4649078), wk = 0.0035714 k( 262) = ( 0.3103448 0.1804817 0.4404389), wk = 0.0035714 k( 263) = ( 0.2931034 0.1704549 0.4159701), wk = 0.0035714 k( 264) = ( 0.2758621 0.1604282 0.3915013), wk = 0.0035714 k( 265) = ( 0.2586207 0.1504014 0.3670325), wk = 0.0035714 k( 266) = ( 0.2413793 0.1403746 0.3425636), wk = 0.0035714 k( 267) = ( 0.2241379 0.1303479 0.3180948), wk = 0.0035714 k( 268) = ( 0.2068966 0.1203211 0.2936260), wk = 0.0035714 k( 269) = ( 0.1896552 0.1102944 0.2691571), wk = 0.0035714 k( 270) = ( 0.1724138 0.1002676 0.2446883), wk = 0.0035714 k( 271) = ( 0.1551724 0.0902408 0.2202195), wk = 0.0035714 k( 272) = ( 0.1379310 0.0802141 0.1957506), wk = 0.0035714 k( 273) = ( 0.1206897 0.0701873 0.1712818), wk = 0.0035714 k( 274) = ( 0.1034483 0.0601606 0.1468130), wk = 0.0035714 k( 275) = ( 0.0862069 0.0501338 0.1223442), wk = 0.0035714 k( 276) = ( 0.0689655 0.0401070 0.0978753), wk = 0.0035714 k( 277) = ( 0.0517241 0.0300803 0.0734065), wk = 0.0035714 k( 278) = ( 0.0344828 0.0200535 0.0489377), wk = 0.0035714 k( 279) = ( 0.0172414 0.0100268 0.0244688), wk = 0.0035714 k( 280) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 2) = ( 0.0185185 -0.0000000 0.0185185), wk = 0.0035714 k( 3) = ( 0.0370370 -0.0000000 0.0370370), wk = 0.0035714 k( 4) = ( 0.0555556 -0.0000000 0.0555556), wk = 0.0035714 k( 5) = ( 0.0740741 -0.0000000 0.0740741), wk = 0.0035714 k( 6) = ( 0.0925926 -0.0000000 0.0925926), wk = 0.0035714 k( 7) = ( 0.1111111 -0.0000000 0.1111111), wk = 0.0035714 k( 8) = ( 0.1296296 -0.0000000 0.1296296), wk = 0.0035714 k( 9) = ( 0.1481482 -0.0000000 0.1481482), wk = 0.0035714 k( 10) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0035714 k( 11) = ( 0.1851852 -0.0000000 0.1851852), wk = 0.0035714 k( 12) = ( 0.2037037 -0.0000000 0.2037037), wk = 0.0035714 k( 13) = ( 0.2222222 -0.0000000 0.2222222), wk = 0.0035714 k( 14) = ( 0.2407407 -0.0000000 0.2407407), wk = 0.0035714 k( 15) = ( 0.2592593 -0.0000000 0.2592593), wk = 0.0035714 k( 16) = ( 0.2777778 -0.0000000 0.2777778), wk = 0.0035714 k( 17) = ( 0.2962963 -0.0000000 0.2962963), wk = 0.0035714 k( 18) = ( 0.3148148 -0.0000000 0.3148148), wk = 0.0035714 k( 19) = ( 0.3333333 -0.0000000 0.3333333), wk = 0.0035714 k( 20) = ( 0.3518519 -0.0000000 0.3518519), wk = 0.0035714 k( 21) = ( 0.3703704 -0.0000000 0.3703704), wk = 0.0035714 k( 22) = ( 0.3888889 -0.0000000 0.3888889), wk = 0.0035714 k( 23) = ( 0.4074074 -0.0000000 0.4074074), wk = 0.0035714 k( 24) = ( 0.4259259 -0.0000000 0.4259259), wk = 0.0035714 k( 25) = ( 0.4444444 -0.0000000 0.4444444), wk = 0.0035714 k( 26) = ( 0.4629630 -0.0000000 0.4629630), wk = 0.0035714 k( 27) = ( 0.4814815 -0.0000000 0.4814815), wk = 0.0035714 k( 28) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0035714 k( 29) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0035714 k( 30) = ( 0.5250000 0.0250000 0.5000000), wk = 0.0035714 k( 31) = ( 0.5500000 0.0500000 0.5000000), wk = 0.0035714 k( 32) = ( 0.5750000 0.0750000 0.5000000), wk = 0.0035714 k( 33) = ( 0.6000000 0.1000000 0.5000000), wk = 0.0035714 k( 34) = ( 0.6250000 0.1250000 0.5000000), wk = 0.0035714 k( 35) = ( 0.6500000 0.1500000 0.5000000), wk = 0.0035714 k( 36) = ( 0.6750000 0.1750000 0.5000000), wk = 0.0035714 k( 37) = ( 0.7000000 0.2000000 0.5000000), wk = 0.0035714 k( 38) = ( 0.7250000 0.2250000 0.5000000), wk = 0.0035714 k( 39) = ( 0.7500000 0.2500000 0.5000000), wk = 0.0035714 k( 40) = ( 0.7750000 0.2750000 0.5000000), wk = 0.0035714 k( 41) = ( 0.8000000 0.3000000 0.5000000), wk = 0.0035714 k( 42) = ( 0.8250000 0.3250000 0.5000000), wk = 0.0035714 k( 43) = ( 0.8500000 0.3500000 0.5000000), wk = 0.0035714 k( 44) = ( 0.8750000 0.3750000 0.5000000), wk = 0.0035714 k( 45) = ( 0.9000000 0.4000000 0.5000000), wk = 0.0035714 k( 46) = ( 0.9250000 0.4250000 0.5000000), wk = 0.0035714 k( 47) = ( 0.9500000 0.4500000 0.5000000), wk = 0.0035714 k( 48) = ( 0.9750000 0.4750000 0.5000000), wk = 0.0035714 k( 49) = ( 1.0000000 0.5000000 0.5000000), wk = 0.0035714 k( 50) = ( 1.0000000 0.5000000 0.5000000), wk = 0.0035714 k( 51) = ( 0.9814815 0.5000000 0.4814815), wk = 0.0035714 k( 52) = ( 0.9629630 0.5000000 0.4629630), wk = 0.0035714 k( 53) = ( 0.9444444 0.5000000 0.4444444), wk = 0.0035714 k( 54) = ( 0.9259259 0.5000000 0.4259259), wk = 0.0035714 k( 55) = ( 0.9074074 0.5000000 0.4074074), wk = 0.0035714 k( 56) = ( 0.8888889 0.5000000 0.3888889), wk = 0.0035714 k( 57) = ( 0.8703704 0.5000000 0.3703704), wk = 0.0035714 k( 58) = ( 0.8518518 0.5000000 0.3518519), wk = 0.0035714 k( 59) = ( 0.8333333 0.5000000 0.3333333), wk = 0.0035714 k( 60) = ( 0.8148148 0.5000000 0.3148148), wk = 0.0035714 k( 61) = ( 0.7962963 0.5000000 0.2962963), wk = 0.0035714 k( 62) = ( 0.7777778 0.5000000 0.2777778), wk = 0.0035714 k( 63) = ( 0.7592593 0.5000000 0.2592593), wk = 0.0035714 k( 64) = ( 0.7407407 0.5000000 0.2407407), wk = 0.0035714 k( 65) = ( 0.7222222 0.5000000 0.2222222), wk = 0.0035714 k( 66) = ( 0.7037037 0.5000000 0.2037037), wk = 0.0035714 k( 67) = ( 0.6851852 0.5000000 0.1851852), wk = 0.0035714 k( 68) = ( 0.6666667 0.5000000 0.1666667), wk = 0.0035714 k( 69) = ( 0.6481482 0.5000000 0.1481482), wk = 0.0035714 k( 70) = ( 0.6296296 0.5000000 0.1296296), wk = 0.0035714 k( 71) = ( 0.6111111 0.5000000 0.1111111), wk = 0.0035714 k( 72) = ( 0.5925926 0.5000000 0.0925926), wk = 0.0035714 k( 73) = ( 0.5740741 0.5000000 0.0740741), wk = 0.0035714 k( 74) = ( 0.5555556 0.5000000 0.0555556), wk = 0.0035714 k( 75) = ( 0.5370370 0.5000000 0.0370370), wk = 0.0035714 k( 76) = ( 0.5185185 0.5000000 0.0185185), wk = 0.0035714 k( 77) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035714 k( 78) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035714 k( 79) = ( 0.4750000 0.4750000 0.0000000), wk = 0.0035714 k( 80) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0035714 k( 81) = ( 0.4250000 0.4250000 0.0000000), wk = 0.0035714 k( 82) = ( 0.4000000 0.4000000 0.0000000), wk = 0.0035714 k( 83) = ( 0.3750000 0.3750000 0.0000000), wk = 0.0035714 k( 84) = ( 0.3500000 0.3500000 0.0000000), wk = 0.0035714 k( 85) = ( 0.3250000 0.3250000 0.0000000), wk = 0.0035714 k( 86) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0035714 k( 87) = ( 0.2750000 0.2750000 0.0000000), wk = 0.0035714 k( 88) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0035714 k( 89) = ( 0.2250000 0.2250000 0.0000000), wk = 0.0035714 k( 90) = ( 0.2000000 0.2000000 0.0000000), wk = 0.0035714 k( 91) = ( 0.1750000 0.1750000 0.0000000), wk = 0.0035714 k( 92) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0035714 k( 93) = ( 0.1250000 0.1250000 0.0000000), wk = 0.0035714 k( 94) = ( 0.1000000 0.1000000 0.0000000), wk = 0.0035714 k( 95) = ( 0.0750000 0.0750000 0.0000000), wk = 0.0035714 k( 96) = ( 0.0500000 0.0500000 0.0000000), wk = 0.0035714 k( 97) = ( 0.0250000 0.0250000 0.0000000), wk = 0.0035714 k( 98) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 99) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 k( 100) = ( 0.0000000 0.0107233 0.0107233), wk = 0.0035714 k( 101) = ( 0.0000000 0.0214466 0.0214466), wk = 0.0035714 k( 102) = ( 0.0000000 0.0321700 0.0321700), wk = 0.0035714 k( 103) = ( 0.0000000 0.0428933 0.0428933), wk = 0.0035714 k( 104) = ( 0.0000000 0.0536166 0.0536166), wk = 0.0035714 k( 105) = ( 0.0000000 0.0643399 0.0643399), wk = 0.0035714 k( 106) = ( 0.0000000 0.0750632 0.0750632), wk = 0.0035714 k( 107) = ( 0.0000000 0.0857865 0.0857865), wk = 0.0035714 k( 108) = ( 0.0000000 0.0965099 0.0965099), wk = 0.0035714 k( 109) = ( 0.0000000 0.1072332 0.1072332), wk = 0.0035714 k( 110) = ( 0.0000000 0.1179565 0.1179565), wk = 0.0035714 k( 111) = ( 0.0000000 0.1286798 0.1286798), wk = 0.0035714 k( 112) = ( 0.0000000 0.1394031 0.1394031), wk = 0.0035714 k( 113) = ( 0.0000000 0.1501264 0.1501264), wk = 0.0035714 k( 114) = ( 0.0000000 0.1608498 0.1608498), wk = 0.0035714 k( 115) = ( 0.0000000 0.1715731 0.1715731), wk = 0.0035714 k( 116) = ( 0.0000000 0.1822964 0.1822964), wk = 0.0035714 k( 117) = ( 0.0000000 0.1930197 0.1930197), wk = 0.0035714 k( 118) = ( 0.0000000 0.2037430 0.2037430), wk = 0.0035714 k( 119) = ( 0.0000000 0.2144664 0.2144664), wk = 0.0035714 k( 120) = ( 0.0000000 0.2251897 0.2251897), wk = 0.0035714 k( 121) = ( 0.0000000 0.2359130 0.2359130), wk = 0.0035714 k( 122) = ( 0.0000000 0.2466363 0.2466363), wk = 0.0035714 k( 123) = ( 0.0000000 0.2573596 0.2573596), wk = 0.0035714 k( 124) = ( 0.0000000 0.2680829 0.2680829), wk = 0.0035714 k( 125) = ( 0.0000000 0.2788063 0.2788063), wk = 0.0035714 k( 126) = ( 0.0000000 0.2895296 0.2895296), wk = 0.0035714 k( 127) = ( 0.0000000 0.3002529 0.3002529), wk = 0.0035714 k( 128) = ( 0.0000000 0.3109762 0.3109762), wk = 0.0035714 k( 129) = ( 0.0000000 0.3216995 0.3216995), wk = 0.0035714 k( 130) = ( 0.0000000 0.3324229 0.3324229), wk = 0.0035714 k( 131) = ( 0.0000000 0.3431462 0.3431462), wk = 0.0035714 k( 132) = ( 0.0000000 0.3538695 0.3538695), wk = 0.0035714 k( 133) = ( 0.0000000 0.3645928 0.3645928), wk = 0.0035714 k( 134) = ( 0.0000000 0.3753161 0.3753161), wk = 0.0035714 k( 135) = ( 0.0000000 0.3753161 0.3753161), wk = 0.0035714 k( 136) = ( 0.0161290 0.3699538 0.3860829), wk = 0.0035714 k( 137) = ( 0.0322581 0.3645915 0.3968496), wk = 0.0035714 k( 138) = ( 0.0483871 0.3592292 0.4076163), wk = 0.0035714 k( 139) = ( 0.0645161 0.3538669 0.4183831), wk = 0.0035714 k( 140) = ( 0.0806452 0.3485046 0.4291498), wk = 0.0035714 k( 141) = ( 0.0967742 0.3431423 0.4399165), wk = 0.0035714 k( 142) = ( 0.1129032 0.3377800 0.4506832), wk = 0.0035714 k( 143) = ( 0.1290323 0.3324177 0.4614500), wk = 0.0035714 k( 144) = ( 0.1451613 0.3270554 0.4722167), wk = 0.0035714 k( 145) = ( 0.1612903 0.3216931 0.4829835), wk = 0.0035714 k( 146) = ( 0.1774194 0.3163308 0.4937502), wk = 0.0035714 k( 147) = ( 0.1935484 0.3109685 0.5045169), wk = 0.0035714 k( 148) = ( 0.2096774 0.3056062 0.5152836), wk = 0.0035714 k( 149) = ( 0.2258064 0.3002439 0.5260504), wk = 0.0035714 k( 150) = ( 0.2419355 0.2948816 0.5368171), wk = 0.0035714 k( 151) = ( 0.2580645 0.2895193 0.5475838), wk = 0.0035714 k( 152) = ( 0.2741936 0.2841570 0.5583506), wk = 0.0035714 k( 153) = ( 0.2903226 0.2787947 0.5691173), wk = 0.0035714 k( 154) = ( 0.3064516 0.2734324 0.5798840), wk = 0.0035714 k( 155) = ( 0.3225807 0.2680701 0.5906508), wk = 0.0035714 k( 156) = ( 0.3387097 0.2627078 0.6014175), wk = 0.0035714 k( 157) = ( 0.3548387 0.2573455 0.6121842), wk = 0.0035714 k( 158) = ( 0.3709677 0.2519832 0.6229510), wk = 0.0035714 k( 159) = ( 0.3870968 0.2466209 0.6337177), wk = 0.0035714 k( 160) = ( 0.4032258 0.2412586 0.6444844), wk = 0.0035714 k( 161) = ( 0.4193548 0.2358963 0.6552512), wk = 0.0035714 k( 162) = ( 0.4354839 0.2305340 0.6660179), wk = 0.0035714 k( 163) = ( 0.4516129 0.2251717 0.6767846), wk = 0.0035714 k( 164) = ( 0.4677419 0.2198094 0.6875513), wk = 0.0035714 k( 165) = ( 0.4838710 0.2144471 0.6983181), wk = 0.0035714 k( 166) = ( 0.5000000 0.2090848 0.7090848), wk = 0.0035714 k( 167) = ( 0.5000000 0.2090848 0.7090848), wk = 0.0035714 k( 168) = ( 0.5000000 0.1986306 0.6986306), wk = 0.0035714 k( 169) = ( 0.5000000 0.1881763 0.6881763), wk = 0.0035714 k( 170) = ( 0.5000000 0.1777221 0.6777221), wk = 0.0035714 k( 171) = ( 0.5000000 0.1672678 0.6672679), wk = 0.0035714 k( 172) = ( 0.5000000 0.1568136 0.6568136), wk = 0.0035714 k( 173) = ( 0.5000000 0.1463594 0.6463594), wk = 0.0035714 k( 174) = ( 0.5000000 0.1359051 0.6359051), wk = 0.0035714 k( 175) = ( 0.5000000 0.1254509 0.6254509), wk = 0.0035714 k( 176) = ( 0.5000000 0.1149966 0.6149966), wk = 0.0035714 k( 177) = ( 0.5000000 0.1045424 0.6045424), wk = 0.0035714 k( 178) = ( 0.5000000 0.0940882 0.5940882), wk = 0.0035714 k( 179) = ( 0.5000000 0.0836339 0.5836339), wk = 0.0035714 k( 180) = ( 0.5000000 0.0731797 0.5731797), wk = 0.0035714 k( 181) = ( 0.5000000 0.0627254 0.5627254), wk = 0.0035714 k( 182) = ( 0.5000000 0.0522712 0.5522712), wk = 0.0035714 k( 183) = ( 0.5000000 0.0418170 0.5418170), wk = 0.0035714 k( 184) = ( 0.5000000 0.0313627 0.5313627), wk = 0.0035714 k( 185) = ( 0.5000000 0.0209085 0.5209085), wk = 0.0035714 k( 186) = ( 0.5000000 0.0104542 0.5104542), wk = 0.0035714 k( 187) = ( 0.5000000 -0.0000000 0.5000000), wk = 0.0035714 k( 188) = ( 1.0000000 0.5000000 0.5000000), wk = 0.0035714 k( 189) = ( 1.0000000 0.5103903 0.5103903), wk = 0.0035714 k( 190) = ( 1.0000000 0.5207806 0.5207806), wk = 0.0035714 k( 191) = ( 1.0000000 0.5311710 0.5311710), wk = 0.0035714 k( 192) = ( 1.0000000 0.5415613 0.5415613), wk = 0.0035714 k( 193) = ( 1.0000000 0.5519516 0.5519516), wk = 0.0035714 k( 194) = ( 1.0000000 0.5623419 0.5623419), wk = 0.0035714 k( 195) = ( 1.0000000 0.5727323 0.5727323), wk = 0.0035714 k( 196) = ( 1.0000000 0.5831226 0.5831226), wk = 0.0035714 k( 197) = ( 1.0000000 0.5935129 0.5935129), wk = 0.0035714 k( 198) = ( 1.0000000 0.6039032 0.6039032), wk = 0.0035714 k( 199) = ( 1.0000000 0.6142935 0.6142935), wk = 0.0035714 k( 200) = ( 1.0000000 0.6246839 0.6246839), wk = 0.0035714 k( 201) = ( 0.0000000 0.3753161 0.3753161), wk = 0.0035714 k( 202) = ( 0.0238095 0.3951066 0.3712970), wk = 0.0035714 k( 203) = ( 0.0476191 0.4148970 0.3672780), wk = 0.0035714 k( 204) = ( 0.0714286 0.4346874 0.3632589), wk = 0.0035714 k( 205) = ( 0.0952381 0.4544779 0.3592398), wk = 0.0035714 k( 206) = ( 0.1190476 0.4742683 0.3552207), wk = 0.0035714 k( 207) = ( 0.1428571 0.4940587 0.3512016), wk = 0.0035714 k( 208) = ( 0.1666667 0.5138491 0.3471825), wk = 0.0035714 k( 209) = ( 0.1904762 0.5336396 0.3431634), wk = 0.0035714 k( 210) = ( 0.2142857 0.5534300 0.3391443), wk = 0.0035714 k( 211) = ( 0.2380952 0.5732204 0.3351252), wk = 0.0035714 k( 212) = ( 0.2619048 0.5930109 0.3311061), wk = 0.0035714 k( 213) = ( 0.2857143 0.6128013 0.3270870), wk = 0.0035714 k( 214) = ( 0.3095238 0.6325917 0.3230679), wk = 0.0035714 k( 215) = ( 0.3333333 0.6523822 0.3190488), wk = 0.0035714 k( 216) = ( 0.3571429 0.6721726 0.3150298), wk = 0.0035714 k( 217) = ( 0.3809524 0.6919630 0.3110107), wk = 0.0035714 k( 218) = ( 0.4047619 0.7117535 0.3069916), wk = 0.0035714 k( 219) = ( 0.4285714 0.7315439 0.3029725), wk = 0.0035714 k( 220) = ( 0.4523810 0.7513343 0.2989534), wk = 0.0035714 k( 221) = ( 0.4761905 0.7711248 0.2949343), wk = 0.0035714 k( 222) = ( 0.5000000 0.7909152 0.2909152), wk = 0.0035714 k( 223) = ( 0.5000000 0.7909152 0.2909152), wk = 0.0035714 k( 224) = ( 0.5000000 0.7801406 0.2801406), wk = 0.0035714 k( 225) = ( 0.5000000 0.7693659 0.2693659), wk = 0.0035714 k( 226) = ( 0.5000000 0.7585913 0.2585913), wk = 0.0035714 k( 227) = ( 0.5000000 0.7478166 0.2478167), wk = 0.0035714 k( 228) = ( 0.5000000 0.7370420 0.2370420), wk = 0.0035714 k( 229) = ( 0.5000000 0.7262674 0.2262674), wk = 0.0035714 k( 230) = ( 0.5000000 0.7154927 0.2154927), wk = 0.0035714 k( 231) = ( 0.5000000 0.7047181 0.2047181), wk = 0.0035714 k( 232) = ( 0.5000000 0.6939435 0.1939435), wk = 0.0035714 k( 233) = ( 0.5000000 0.6831688 0.1831688), wk = 0.0035714 k( 234) = ( 0.5000000 0.6723942 0.1723942), wk = 0.0035714 k( 235) = ( 0.5000000 0.6616195 0.1616196), wk = 0.0035714 k( 236) = ( 0.5000000 0.6508449 0.1508449), wk = 0.0035714 k( 237) = ( 0.5000000 0.6400703 0.1400703), wk = 0.0035714 k( 238) = ( 0.5000000 0.6292956 0.1292956), wk = 0.0035714 k( 239) = ( 0.5000000 0.6185210 0.1185210), wk = 0.0035714 k( 240) = ( 0.5000000 0.6077464 0.1077464), wk = 0.0035714 k( 241) = ( 0.5000000 0.5969717 0.0969717), wk = 0.0035714 k( 242) = ( 0.5000000 0.5861971 0.0861971), wk = 0.0035714 k( 243) = ( 0.5000000 0.5754225 0.0754225), wk = 0.0035714 k( 244) = ( 0.5000000 0.5646478 0.0646478), wk = 0.0035714 k( 245) = ( 0.5000000 0.5538732 0.0538732), wk = 0.0035714 k( 246) = ( 0.5000000 0.5430985 0.0430986), wk = 0.0035714 k( 247) = ( 0.5000000 0.5323239 0.0323239), wk = 0.0035714 k( 248) = ( 0.5000000 0.5215493 0.0215493), wk = 0.0035714 k( 249) = ( 0.5000000 0.5107746 0.0107746), wk = 0.0035714 k( 250) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0035714 k( 251) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0035714 k( 252) = ( 0.4827586 0.4827586 0.4827586), wk = 0.0035714 k( 253) = ( 0.4655172 0.4655172 0.4655172), wk = 0.0035714 k( 254) = ( 0.4482759 0.4482759 0.4482759), wk = 0.0035714 k( 255) = ( 0.4310345 0.4310345 0.4310345), wk = 0.0035714 k( 256) = ( 0.4137931 0.4137931 0.4137931), wk = 0.0035714 k( 257) = ( 0.3965517 0.3965517 0.3965517), wk = 0.0035714 k( 258) = ( 0.3793103 0.3793103 0.3793103), wk = 0.0035714 k( 259) = ( 0.3620690 0.3620690 0.3620690), wk = 0.0035714 k( 260) = ( 0.3448276 0.3448276 0.3448276), wk = 0.0035714 k( 261) = ( 0.3275862 0.3275862 0.3275862), wk = 0.0035714 k( 262) = ( 0.3103448 0.3103448 0.3103448), wk = 0.0035714 k( 263) = ( 0.2931034 0.2931034 0.2931035), wk = 0.0035714 k( 264) = ( 0.2758621 0.2758621 0.2758621), wk = 0.0035714 k( 265) = ( 0.2586207 0.2586207 0.2586207), wk = 0.0035714 k( 266) = ( 0.2413793 0.2413793 0.2413793), wk = 0.0035714 k( 267) = ( 0.2241379 0.2241379 0.2241379), wk = 0.0035714 k( 268) = ( 0.2068966 0.2068965 0.2068966), wk = 0.0035714 k( 269) = ( 0.1896552 0.1896552 0.1896552), wk = 0.0035714 k( 270) = ( 0.1724138 0.1724138 0.1724138), wk = 0.0035714 k( 271) = ( 0.1551724 0.1551724 0.1551724), wk = 0.0035714 k( 272) = ( 0.1379310 0.1379310 0.1379310), wk = 0.0035714 k( 273) = ( 0.1206897 0.1206897 0.1206897), wk = 0.0035714 k( 274) = ( 0.1034483 0.1034483 0.1034483), wk = 0.0035714 k( 275) = ( 0.0862069 0.0862069 0.0862069), wk = 0.0035714 k( 276) = ( 0.0689655 0.0689655 0.0689655), wk = 0.0035714 k( 277) = ( 0.0517241 0.0517241 0.0517241), wk = 0.0035714 k( 278) = ( 0.0344828 0.0344828 0.0344828), wk = 0.0035714 k( 279) = ( 0.0172414 0.0172414 0.0172414), wk = 0.0035714 k( 280) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0035714 Dense grid: 214091 G-vectors FFT dimensions: ( 120, 96, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.67 Mb ( 756, 58) NL pseudopotentials 1.59 Mb ( 378, 276) Each V/rho on FFT grid 0.35 Mb ( 23040) Each G-vector array 0.02 Mb ( 2975) G-vector shells 0.02 Mb ( 2859) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 2.68 Mb ( 756, 232) Each subspace H/S matrix 0.02 Mb ( 38, 38) Each matrix 0.49 Mb ( 276, 2, 58) The potential is recalculated from file : ./Cs2Se.save/charge-density.dat Starting wfc are 56 randomized atomic wfcs + 2 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 5.4 secs Computing kpt #: 2 total cpu time spent up to now is 8.4 secs Computing kpt #: 3 total cpu time spent up to now is 11.3 secs Computing kpt #: 4 total cpu time spent up to now is 14.2 secs Computing kpt #: 5 total cpu time spent up to now is 17.1 secs Computing kpt #: 6 total cpu time spent up to now is 19.9 secs Computing kpt #: 7 total cpu time spent up to now is 22.8 secs Computing kpt #: 8 total cpu time spent up to now is 25.7 secs Computing kpt #: 9 total cpu time spent up to now is 28.6 secs Computing kpt #: 10 total cpu time spent up to now is 31.6 secs Computing kpt #: 11 total cpu time spent up to now is 34.7 secs Computing kpt #: 12 total cpu time spent up to now is 38.2 secs Computing kpt #: 13 total cpu time spent up to now is 42.0 secs Computing kpt #: 14 total cpu time spent up to now is 45.7 secs Computing kpt #: 15 total cpu time spent up to now is 49.5 secs Computing kpt #: 16 total cpu time spent up to now is 53.2 secs Computing kpt #: 17 total cpu time spent up to now is 56.3 secs Computing kpt #: 18 total cpu time spent up to now is 59.4 secs Computing kpt #: 19 total cpu time spent up to now is 62.5 secs Computing kpt #: 20 total cpu time spent up to now is 65.5 secs Computing kpt #: 21 total cpu time spent up to now is 68.7 secs Computing kpt #: 22 total cpu time spent up to now is 71.8 secs Computing kpt #: 23 total cpu time spent up to now is 75.5 secs Computing kpt #: 24 total cpu time spent up to now is 78.7 secs Computing kpt #: 25 total cpu time spent up to now is 81.8 secs Computing kpt #: 26 total cpu time spent up to now is 85.0 secs Computing kpt #: 27 total cpu time spent up to now is 88.6 secs Computing kpt #: 28 total cpu time spent up to now is 92.2 secs Computing kpt #: 29 total cpu time spent up to now is 95.7 secs Computing kpt #: 30 total cpu time spent up to now is 99.4 secs Computing kpt #: 31 total cpu time spent up to now is 103.0 secs Computing kpt #: 32 total cpu time spent up to now is 106.6 secs Computing kpt #: 33 total cpu time spent up to now is 110.2 secs Computing kpt #: 34 total cpu time spent up to now is 113.8 secs Computing kpt #: 35 total cpu time spent up to now is 117.5 secs Computing kpt #: 36 total cpu time spent up to now is 121.1 secs Computing kpt #: 37 total cpu time spent up to now is 124.7 secs Computing kpt #: 38 total cpu time spent up to now is 128.3 secs Computing kpt #: 39 total cpu time spent up to now is 132.2 secs Computing kpt #: 40 total cpu time spent up to now is 136.0 secs Computing kpt #: 41 total cpu time spent up to now is 139.7 secs Computing kpt #: 42 total cpu time spent up to now is 143.5 secs Computing kpt #: 43 total cpu time spent up to now is 147.3 secs Computing kpt #: 44 total cpu time spent up to now is 151.0 secs Computing kpt #: 45 total cpu time spent up to now is 154.8 secs Computing kpt #: 46 total cpu time spent up to now is 158.5 secs Computing kpt #: 47 total cpu time spent up to now is 162.1 secs Computing kpt #: 48 total cpu time spent up to now is 165.8 secs Computing kpt #: 49 total cpu time spent up to now is 168.7 secs Computing kpt #: 50 total cpu time spent up to now is 171.5 secs Computing kpt #: 51 total cpu time spent up to now is 175.1 secs Computing kpt #: 52 total cpu time spent up to now is 178.6 secs Computing kpt #: 53 total cpu time spent up to now is 182.3 secs Computing kpt #: 54 total cpu time spent up to now is 185.8 secs Computing kpt #: 55 total cpu time spent up to now is 189.4 secs Computing kpt #: 56 total cpu time spent up to now is 193.1 secs Computing kpt #: 57 total cpu time spent up to now is 196.7 secs Computing kpt #: 58 total cpu time spent up to now is 200.3 secs Computing kpt #: 59 total cpu time spent up to now is 204.1 secs Computing kpt #: 60 total cpu time spent up to now is 207.7 secs Computing kpt #: 61 total cpu time spent up to now is 211.5 secs Computing kpt #: 62 total cpu time spent up to now is 216.8 secs Computing kpt #: 63 total cpu time spent up to now is 220.7 secs Computing kpt #: 64 total cpu time spent up to now is 224.5 secs Computing kpt #: 65 total cpu time spent up to now is 228.4 secs Computing kpt #: 66 total cpu time spent up to now is 232.0 secs Computing kpt #: 67 total cpu time spent up to now is 235.8 secs Computing kpt #: 68 total cpu time spent up to now is 239.5 secs Computing kpt #: 69 total cpu time spent up to now is 243.0 secs Computing kpt #: 70 total cpu time spent up to now is 246.7 secs Computing kpt #: 71 total cpu time spent up to now is 251.0 secs Computing kpt #: 72 total cpu time spent up to now is 254.6 secs Computing kpt #: 73 total cpu time spent up to now is 258.3 secs Computing kpt #: 74 total cpu time spent up to now is 262.0 secs Computing kpt #: 75 total cpu time spent up to now is 265.7 secs Computing kpt #: 76 total cpu time spent up to now is 269.0 secs Computing kpt #: 77 total cpu time spent up to now is 272.6 secs Computing kpt #: 78 total cpu time spent up to now is 276.3 secs Computing kpt #: 79 total cpu time spent up to now is 279.6 secs Computing kpt #: 80 total cpu time spent up to now is 282.9 secs Computing kpt #: 81 total cpu time spent up to now is 286.6 secs Computing kpt #: 82 total cpu time spent up to now is 290.3 secs Computing kpt #: 83 total cpu time spent up to now is 293.7 secs Computing kpt #: 84 total cpu time spent up to now is 296.9 secs Computing kpt #: 85 total cpu time spent up to now is 300.0 secs Computing kpt #: 86 total cpu time spent up to now is 303.1 secs Computing kpt #: 87 total cpu time spent up to now is 306.1 secs Computing kpt #: 88 total cpu time spent up to now is 309.0 secs Computing kpt #: 89 total cpu time spent up to now is 312.0 secs Computing kpt #: 90 total cpu time spent up to now is 314.9 secs Computing kpt #: 91 total cpu time spent up to now is 317.8 secs Computing kpt #: 92 total cpu time spent up to now is 320.8 secs Computing kpt #: 93 total cpu time spent up to now is 323.7 secs Computing kpt #: 94 total cpu time spent up to now is 326.5 secs Computing kpt #: 95 total cpu time spent up to now is 329.5 secs Computing kpt #: 96 total cpu time spent up to now is 332.3 secs Computing kpt #: 97 total cpu time spent up to now is 335.2 secs Computing kpt #: 98 total cpu time spent up to now is 338.1 secs Computing kpt #: 99 total cpu time spent up to now is 341.0 secs Computing kpt #: 100 total cpu time spent up to now is 344.1 secs Computing kpt #: 101 total cpu time spent up to now is 347.6 secs Computing kpt #: 102 total cpu time spent up to now is 351.1 secs Computing kpt #: 103 total cpu time spent up to now is 355.1 secs Computing kpt #: 104 total cpu time spent up to now is 358.7 secs Computing kpt #: 105 total cpu time spent up to now is 362.3 secs Computing kpt #: 106 total cpu time spent up to now is 366.0 secs Computing kpt #: 107 total cpu time spent up to now is 370.1 secs Computing kpt #: 108 total cpu time spent up to now is 374.3 secs Computing kpt #: 109 total cpu time spent up to now is 379.1 secs Computing kpt #: 110 total cpu time spent up to now is 385.7 secs Computing kpt #: 111 total cpu time spent up to now is 391.6 secs Computing kpt #: 112 total cpu time spent up to now is 397.3 secs Computing kpt #: 113 total cpu time spent up to now is 401.2 secs Computing kpt #: 114 total cpu time spent up to now is 404.7 secs Computing kpt #: 115 total cpu time spent up to now is 408.2 secs Computing kpt #: 116 total cpu time spent up to now is 411.7 secs Computing kpt #: 117 total cpu time spent up to now is 415.2 secs Computing kpt #: 118 total cpu time spent up to now is 418.7 secs Computing kpt #: 119 total cpu time spent up to now is 422.3 secs Computing kpt #: 120 total cpu time spent up to now is 426.0 secs Computing kpt #: 121 total cpu time spent up to now is 429.6 secs Computing kpt #: 122 total cpu time spent up to now is 433.8 secs Computing kpt #: 123 total cpu time spent up to now is 437.4 secs Computing kpt #: 124 total cpu time spent up to now is 441.1 secs Computing kpt #: 125 total cpu time spent up to now is 444.8 secs Computing kpt #: 126 total cpu time spent up to now is 448.5 secs Computing kpt #: 127 total cpu time spent up to now is 452.1 secs Computing kpt #: 128 total cpu time spent up to now is 455.5 secs Computing kpt #: 129 total cpu time spent up to now is 458.7 secs Computing kpt #: 130 total cpu time spent up to now is 461.8 secs Computing kpt #: 131 total cpu time spent up to now is 464.8 secs Computing kpt #: 132 total cpu time spent up to now is 467.8 secs Computing kpt #: 133 total cpu time spent up to now is 470.8 secs Computing kpt #: 134 total cpu time spent up to now is 473.8 secs Computing kpt #: 135 total cpu time spent up to now is 476.8 secs Computing kpt #: 136 total cpu time spent up to now is 479.7 secs Computing kpt #: 137 total cpu time spent up to now is 482.7 secs Computing kpt #: 138 total cpu time spent up to now is 485.8 secs Computing kpt #: 139 total cpu time spent up to now is 488.9 secs Computing kpt #: 140 total cpu time spent up to now is 492.4 secs Computing kpt #: 141 total cpu time spent up to now is 495.9 secs Computing kpt #: 142 total cpu time spent up to now is 499.6 secs Computing kpt #: 143 total cpu time spent up to now is 503.4 secs Computing kpt #: 144 total cpu time spent up to now is 507.1 secs Computing kpt #: 145 total cpu time spent up to now is 510.6 secs Computing kpt #: 146 total cpu time spent up to now is 514.3 secs Computing kpt #: 147 total cpu time spent up to now is 517.9 secs Computing kpt #: 148 total cpu time spent up to now is 521.2 secs Computing kpt #: 149 total cpu time spent up to now is 524.4 secs Computing kpt #: 150 total cpu time spent up to now is 527.9 secs Computing kpt #: 151 total cpu time spent up to now is 531.5 secs Computing kpt #: 152 total cpu time spent up to now is 535.2 secs Computing kpt #: 153 total cpu time spent up to now is 538.8 secs Computing kpt #: 154 total cpu time spent up to now is 542.4 secs Computing kpt #: 155 total cpu time spent up to now is 546.0 secs Computing kpt #: 156 total cpu time spent up to now is 549.6 secs Computing kpt #: 157 total cpu time spent up to now is 553.2 secs Computing kpt #: 158 total cpu time spent up to now is 557.0 secs Computing kpt #: 159 total cpu time spent up to now is 560.6 secs Computing kpt #: 160 total cpu time spent up to now is 564.3 secs Computing kpt #: 161 total cpu time spent up to now is 567.9 secs Computing kpt #: 162 total cpu time spent up to now is 571.6 secs Computing kpt #: 163 total cpu time spent up to now is 575.2 secs Computing kpt #: 164 total cpu time spent up to now is 578.5 secs Computing kpt #: 165 total cpu time spent up to now is 582.2 secs Computing kpt #: 166 total cpu time spent up to now is 585.8 secs Computing kpt #: 167 total cpu time spent up to now is 589.4 secs Computing kpt #: 168 total cpu time spent up to now is 593.0 secs Computing kpt #: 169 total cpu time spent up to now is 601.0 secs Computing kpt #: 170 total cpu time spent up to now is 604.7 secs Computing kpt #: 171 total cpu time spent up to now is 608.4 secs Computing kpt #: 172 total cpu time spent up to now is 612.1 secs Computing kpt #: 173 total cpu time spent up to now is 615.8 secs Computing kpt #: 174 total cpu time spent up to now is 619.3 secs Computing kpt #: 175 total cpu time spent up to now is 623.1 secs Computing kpt #: 176 total cpu time spent up to now is 626.8 secs Computing kpt #: 177 total cpu time spent up to now is 630.4 secs Computing kpt #: 178 total cpu time spent up to now is 634.1 secs Computing kpt #: 179 total cpu time spent up to now is 637.8 secs Computing kpt #: 180 total cpu time spent up to now is 641.4 secs Computing kpt #: 181 total cpu time spent up to now is 644.4 secs Computing kpt #: 182 total cpu time spent up to now is 647.3 secs Computing kpt #: 183 total cpu time spent up to now is 650.3 secs Computing kpt #: 184 total cpu time spent up to now is 657.4 secs Computing kpt #: 185 total cpu time spent up to now is 661.0 secs Computing kpt #: 186 total cpu time spent up to now is 664.6 secs Computing kpt #: 187 total cpu time spent up to now is 669.2 secs Computing kpt #: 188 total cpu time spent up to now is 672.1 secs Computing kpt #: 189 total cpu time spent up to now is 675.2 secs Computing kpt #: 190 total cpu time spent up to now is 678.3 secs Computing kpt #: 191 total cpu time spent up to now is 681.3 secs Computing kpt #: 192 total cpu time spent up to now is 684.4 secs Computing kpt #: 193 total cpu time spent up to now is 687.4 secs Computing kpt #: 194 total cpu time spent up to now is 690.4 secs Computing kpt #: 195 total cpu time spent up to now is 693.4 secs Computing kpt #: 196 total cpu time spent up to now is 696.4 secs Computing kpt #: 197 total cpu time spent up to now is 699.3 secs Computing kpt #: 198 total cpu time spent up to now is 704.3 secs Computing kpt #: 199 total cpu time spent up to now is 707.2 secs Computing kpt #: 200 total cpu time spent up to now is 710.1 secs Computing kpt #: 201 total cpu time spent up to now is 713.1 secs Computing kpt #: 202 total cpu time spent up to now is 716.1 secs Computing kpt #: 203 total cpu time spent up to now is 723.2 secs Computing kpt #: 204 total cpu time spent up to now is 726.2 secs Computing kpt #: 205 total cpu time spent up to now is 729.3 secs Computing kpt #: 206 total cpu time spent up to now is 732.3 secs Computing kpt #: 207 total cpu time spent up to now is 739.8 secs Computing kpt #: 208 total cpu time spent up to now is 742.8 secs Computing kpt #: 209 total cpu time spent up to now is 746.0 secs Computing kpt #: 210 total cpu time spent up to now is 752.4 secs Computing kpt #: 211 total cpu time spent up to now is 755.5 secs Computing kpt #: 212 total cpu time spent up to now is 758.6 secs Computing kpt #: 213 total cpu time spent up to now is 761.7 secs Computing kpt #: 214 total cpu time spent up to now is 765.3 secs Computing kpt #: 215 total cpu time spent up to now is 768.4 secs Computing kpt #: 216 total cpu time spent up to now is 772.6 secs Computing kpt #: 217 total cpu time spent up to now is 775.7 secs Computing kpt #: 218 total cpu time spent up to now is 779.0 secs Computing kpt #: 219 total cpu time spent up to now is 782.6 secs Computing kpt #: 220 total cpu time spent up to now is 786.0 secs Computing kpt #: 221 total cpu time spent up to now is 789.6 secs Computing kpt #: 222 total cpu time spent up to now is 793.3 secs Computing kpt #: 223 total cpu time spent up to now is 796.9 secs Computing kpt #: 224 total cpu time spent up to now is 800.6 secs Computing kpt #: 225 total cpu time spent up to now is 804.2 secs Computing kpt #: 226 total cpu time spent up to now is 807.8 secs Computing kpt #: 227 total cpu time spent up to now is 812.9 secs Computing kpt #: 228 total cpu time spent up to now is 816.7 secs Computing kpt #: 229 total cpu time spent up to now is 820.4 secs Computing kpt #: 230 total cpu time spent up to now is 824.1 secs Computing kpt #: 231 total cpu time spent up to now is 827.8 secs Computing kpt #: 232 total cpu time spent up to now is 831.6 secs Computing kpt #: 233 total cpu time spent up to now is 835.4 secs Computing kpt #: 234 total cpu time spent up to now is 839.1 secs Computing kpt #: 235 total cpu time spent up to now is 842.9 secs Computing kpt #: 236 total cpu time spent up to now is 847.7 secs Computing kpt #: 237 total cpu time spent up to now is 851.5 secs Computing kpt #: 238 total cpu time spent up to now is 855.1 secs Computing kpt #: 239 total cpu time spent up to now is 858.9 secs Computing kpt #: 240 total cpu time spent up to now is 862.6 secs Computing kpt #: 241 total cpu time spent up to now is 866.4 secs Computing kpt #: 242 total cpu time spent up to now is 870.1 secs Computing kpt #: 243 total cpu time spent up to now is 874.0 secs Computing kpt #: 244 total cpu time spent up to now is 878.0 secs Computing kpt #: 245 total cpu time spent up to now is 882.0 secs Computing kpt #: 246 total cpu time spent up to now is 885.7 secs Computing kpt #: 247 total cpu time spent up to now is 889.3 secs Computing kpt #: 248 total cpu time spent up to now is 893.0 secs Computing kpt #: 249 total cpu time spent up to now is 896.8 secs Computing kpt #: 250 total cpu time spent up to now is 900.5 secs Computing kpt #: 251 total cpu time spent up to now is 903.7 secs Computing kpt #: 252 total cpu time spent up to now is 906.9 secs Computing kpt #: 253 total cpu time spent up to now is 911.1 secs Computing kpt #: 254 total cpu time spent up to now is 914.3 secs Computing kpt #: 255 total cpu time spent up to now is 917.5 secs Computing kpt #: 256 total cpu time spent up to now is 920.6 secs Computing kpt #: 257 total cpu time spent up to now is 923.7 secs Computing kpt #: 258 total cpu time spent up to now is 926.7 secs Computing kpt #: 259 total cpu time spent up to now is 929.8 secs Computing kpt #: 260 total cpu time spent up to now is 932.9 secs Computing kpt #: 261 total cpu time spent up to now is 935.9 secs Computing kpt #: 262 total cpu time spent up to now is 939.0 secs Computing kpt #: 263 total cpu time spent up to now is 942.1 secs Computing kpt #: 264 total cpu time spent up to now is 945.8 secs Computing kpt #: 265 total cpu time spent up to now is 948.9 secs Computing kpt #: 266 total cpu time spent up to now is 951.9 secs Computing kpt #: 267 total cpu time spent up to now is 954.9 secs Computing kpt #: 268 total cpu time spent up to now is 957.8 secs Computing kpt #: 269 total cpu time spent up to now is 960.8 secs Computing kpt #: 270 total cpu time spent up to now is 963.8 secs Computing kpt #: 271 total cpu time spent up to now is 966.7 secs Computing kpt #: 272 total cpu time spent up to now is 969.6 secs Computing kpt #: 273 total cpu time spent up to now is 972.5 secs Computing kpt #: 274 total cpu time spent up to now is 975.5 secs Computing kpt #: 275 total cpu time spent up to now is 978.4 secs Computing kpt #: 276 total cpu time spent up to now is 981.4 secs Computing kpt #: 277 total cpu time spent up to now is 984.3 secs Computing kpt #: 278 total cpu time spent up to now is 987.3 secs Computing kpt #: 279 total cpu time spent up to now is 990.4 secs Computing kpt #: 280 total cpu time spent up to now is 993.4 secs ethr = 2.08E-08, avg # of iterations = 41.8 total cpu time spent up to now is 993.4 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 26833 PWs) bands (ev): -17.4404 -17.4404 -17.3495 -17.3495 -17.3086 -17.3086 -17.2701 -17.2701 -6.7906 -6.7906 -6.7267 -6.7267 -6.2772 -6.2772 -6.1907 -6.1907 -6.1123 -6.1123 -5.8601 -5.8601 -5.0202 -5.0202 -4.8563 -4.8563 -4.7951 -4.7951 -4.7570 -4.7570 -4.6458 -4.6458 -4.4660 -4.4660 -4.3693 -4.3693 -4.3113 -4.3113 2.8914 2.8914 2.9638 2.9638 3.1538 3.1538 3.2000 3.2000 3.2396 3.2396 3.4758 3.4758 4.8546 4.8546 6.3624 6.3624 6.4823 6.4823 6.6354 6.6354 6.9592 6.9592 k = 0.0185-0.0212 0.0150 ( 26813 PWs) bands (ev): -17.4402 -17.4402 -17.3495 -17.3495 -17.3086 -17.3086 -17.2702 -17.2702 -6.7912 -6.7910 -6.7299 -6.7243 -6.2772 -6.2765 -6.1965 -6.1848 -6.1175 -6.1069 -5.8667 -5.8538 -5.0204 -5.0194 -4.8665 -4.8470 -4.7957 -4.7937 -4.7598 -4.7536 -4.6489 -4.6419 -4.4729 -4.4594 -4.3697 -4.3687 -4.3128 -4.3099 2.8879 2.8939 2.9595 2.9688 3.1497 3.1577 3.1952 3.2023 3.2348 3.2456 3.4739 3.4769 4.8578 4.8614 6.3454 6.3529 6.4923 6.5023 6.6350 6.6360 6.9413 6.9428 k = 0.0370-0.0424 0.0300 ( 26809 PWs) bands (ev): -17.4399 -17.4399 -17.3495 -17.3495 -17.3087 -17.3087 -17.2705 -17.2705 -6.7928 -6.7925 -6.7338 -6.7227 -6.2766 -6.2751 -6.2020 -6.1787 -6.1224 -6.1014 -5.8735 -5.8477 -5.0198 -5.0180 -4.8772 -4.8390 -4.7955 -4.7909 -4.7619 -4.7497 -4.6514 -4.6373 -4.4799 -4.4532 -4.3699 -4.3680 -4.3143 -4.3086 2.8838 2.8946 2.9567 2.9743 3.1454 3.1606 3.1874 3.2033 3.2327 3.2515 3.4713 3.4772 4.8708 4.8779 6.3152 6.3249 6.5238 6.5387 6.6349 6.6369 6.9038 6.9055 k = 0.0556-0.0636 0.0451 ( 26807 PWs) bands (ev): -17.4393 -17.4393 -17.3495 -17.3495 -17.3087 -17.3087 -17.2710 -17.2710 -6.7953 -6.7950 -6.7384 -6.7220 -6.2753 -6.2731 -6.2071 -6.1726 -6.1269 -6.0959 -5.8804 -5.8420 -5.0185 -5.0162 -4.8881 -4.8329 -4.7950 -4.7863 -4.7634 -4.7454 -4.6532 -4.6320 -4.4868 -4.4477 -4.3699 -4.3673 -4.3157 -4.3075 2.8793 2.8933 2.9558 2.9798 3.1412 3.1603 3.1788 3.2034 3.2335 3.2569 3.4680 3.4768 4.8932 4.9037 6.2814 6.2912 6.5632 6.5810 6.6350 6.6381 6.8620 6.8638 k = 0.0741-0.0848 0.0601 ( 26783 PWs) bands (ev): -17.4385 -17.4385 -17.3496 -17.3496 -17.3088 -17.3088 -17.2718 -17.2717 -6.7988 -6.7984 -6.7436 -6.7221 -6.2735 -6.2705 -6.2118 -6.1669 -6.1305 -6.0904 -5.8873 -5.8367 -5.0164 -5.0140 -4.8991 -4.8289 -4.7940 -4.7800 -4.7639 -4.7407 -4.6544 -4.6260 -4.4934 -4.4429 -4.3698 -4.3666 -4.3171 -4.3066 2.8748 2.8898 2.9567 2.9851 3.1372 3.1510 3.1759 3.2026 3.2369 3.2619 3.4641 3.4759 4.9246 4.9381 6.2473 6.2565 6.6033 6.6235 6.6352 6.6399 6.8238 6.8262 k = 0.0926-0.1061 0.0751 ( 26775 PWs) bands (ev): -17.4375 -17.4374 -17.3496 -17.3496 -17.3088 -17.3088 -17.2727 -17.2727 -6.8030 -6.8028 -6.7494 -6.7231 -6.2711 -6.2674 -6.2161 -6.1623 -6.1327 -6.0849 -5.8943 -5.8319 -5.0135 -5.0115 -4.9098 -4.8266 -4.7929 -4.7721 -4.7634 -4.7357 -4.6550 -4.6193 -4.4994 -4.4390 -4.3695 -4.3661 -4.3183 -4.3059 2.8703 2.8846 2.9592 2.9898 3.1334 3.1353 3.1777 3.2011 3.2421 3.2667 3.4598 3.4743 4.9640 4.9803 6.2138 6.2221 6.6320 6.6400 6.6401 6.6607 6.7981 6.8010 k = 0.1111-0.1273 0.0901 ( 26755 PWs) bands (ev): -17.4362 -17.4362 -17.3497 -17.3497 -17.3089 -17.3089 -17.2738 -17.2737 -6.8079 -6.8078 -6.7557 -6.7251 -6.2683 -6.2638 -6.2199 -6.1598 -6.1321 -6.0795 -5.9014 -5.8276 -5.0098 -5.0090 -4.9203 -4.8255 -4.7916 -4.7632 -4.7618 -4.7307 -4.6553 -4.6120 -4.5047 -4.4360 -4.3694 -4.3658 -4.3192 -4.3055 2.8660 2.8782 2.9626 2.9938 3.1176 3.1299 3.1807 3.1989 3.2487 3.2719 3.4551 3.4722 5.0106 5.0295 6.1814 6.1886 6.6323 6.6416 6.6546 6.6737 6.8010 6.8012 k = 0.1296-0.1485 0.1051 ( 26737 PWs) bands (ev): -17.4347 -17.4347 -17.3499 -17.3499 -17.3090 -17.3090 -17.2750 -17.2750 -6.8138 -6.8132 -6.7625 -6.7280 -6.2651 -6.2598 -6.2231 -6.1601 -6.1282 -6.0742 -5.9083 -5.8239 -5.0066 -5.0053 -4.9305 -4.8253 -4.7902 -4.7589 -4.7538 -4.7256 -4.6552 -4.6042 -4.5090 -4.4338 -4.3695 -4.3658 -4.3198 -4.3054 2.8619 2.8714 2.9664 2.9966 3.0998 3.1265 3.1844 3.1961 3.2563 3.2775 3.4502 3.4698 5.0635 5.0847 6.1502 6.1561 6.6275 6.6427 6.6516 6.6618 6.8294 6.8357 k = 0.1481-0.1697 0.1201 ( 26737 PWs) bands (ev): -17.4330 -17.4330 -17.3500 -17.3500 -17.3092 -17.3092 -17.2765 -17.2765 -6.8202 -6.8191 -6.7698 -6.7317 -6.2615 -6.2555 -6.2257 -6.1623 -6.1219 -6.0691 -5.9152 -5.8208 -5.0045 -5.0001 -4.9401 -4.8256 -4.7884 -4.7547 -4.7442 -4.7206 -4.6549 -4.5959 -4.5121 -4.4326 -4.3700 -4.3662 -4.3201 -4.3058 2.8581 2.8644 2.9703 2.9977 3.0835 3.1234 3.1886 3.1932 3.2645 3.2837 3.4450 3.4669 5.1216 5.1449 6.1202 6.1248 6.6162 6.6419 6.6435 6.6452 6.8733 6.8840 k = 0.1667-0.1909 0.1352 ( 26733 PWs) bands (ev): -17.4311 -17.4311 -17.3502 -17.3502 -17.3093 -17.3093 -17.2781 -17.2780 -6.8270 -6.8252 -6.7774 -6.7364 -6.2576 -6.2511 -6.2277 -6.1654 -6.1140 -6.0643 -5.9221 -5.8183 -5.0030 -4.9941 -4.9491 -4.8262 -4.7861 -4.7492 -4.7348 -4.7155 -4.6545 -4.5873 -4.5139 -4.4322 -4.3712 -4.3670 -4.3199 -4.3065 2.8545 2.8579 2.9739 2.9961 3.0700 3.1203 3.1904 3.1932 3.2732 3.2905 3.4396 3.4637 5.1840 5.2093 6.0915 6.0948 6.6013 6.6238 6.6412 6.6430 6.9229 6.9366 k = 0.1852-0.2121 0.1502 ( 26707 PWs) bands (ev): -17.4290 -17.4290 -17.3505 -17.3505 -17.3094 -17.3094 -17.2798 -17.2798 -6.8342 -6.8315 -6.7854 -6.7419 -6.2536 -6.2466 -6.2290 -6.1689 -6.1051 -6.0597 -5.9288 -5.8166 -5.0021 -4.9875 -4.9573 -4.8270 -4.7832 -4.7427 -4.7261 -4.7102 -4.6541 -4.5784 -4.5141 -4.4326 -4.3729 -4.3682 -4.3195 -4.3078 2.8512 2.8520 2.9770 2.9909 3.0609 3.1174 3.1880 3.1983 3.2819 3.2977 3.4342 3.4601 5.2495 5.2769 6.0643 6.0662 6.5880 6.6092 6.6376 6.6416 6.9732 6.9892 k = 0.2037-0.2333 0.1652 ( 26712 PWs) bands (ev): -17.4267 -17.4267 -17.3508 -17.3508 -17.3096 -17.3095 -17.2817 -17.2816 -6.8415 -6.8378 -6.7935 -6.7481 -6.2494 -6.2422 -6.2296 -6.1724 -6.0954 -6.0554 -5.9354 -5.8156 -5.0022 -4.9803 -4.9648 -4.8280 -4.7793 -4.7351 -4.7185 -4.7042 -4.6538 -4.5694 -4.5128 -4.4338 -4.3752 -4.3701 -4.3189 -4.3095 2.8471 2.8483 2.9796 2.9821 3.0565 3.1145 3.1861 3.2039 3.2907 3.3054 3.4287 3.4563 5.3174 5.3467 6.0388 6.0393 6.5781 6.5994 6.6334 6.6388 7.0208 7.0386 k = 0.2222-0.2545 0.1802 ( 26710 PWs) bands (ev): -17.4242 -17.4242 -17.3512 -17.3512 -17.3097 -17.3097 -17.2836 -17.2836 -6.8488 -6.8440 -6.8019 -6.7551 -6.2452 -6.2379 -6.2295 -6.1758 -6.0851 -6.0514 -5.9419 -5.8154 -5.0033 -4.9726 -4.9713 -4.8290 -4.7743 -4.7266 -4.7124 -4.6972 -4.6534 -4.5604 -4.5101 -4.4359 -4.3781 -4.3726 -4.3183 -4.3117 2.8435 2.8457 2.9711 2.9814 3.0559 3.1117 3.1849 3.2098 3.2991 3.3132 3.4233 3.4522 5.3865 5.4180 6.0141 6.0152 6.5724 6.5941 6.6277 6.6342 7.0615 7.0800 k = 0.2407-0.2757 0.1952 ( 26728 PWs) bands (ev): -17.4216 -17.4216 -17.3517 -17.3517 -17.3098 -17.3098 -17.2856 -17.2856 -6.8561 -6.8501 -6.8104 -6.7626 -6.2410 -6.2337 -6.2286 -6.1791 -6.0743 -6.0477 -5.9482 -5.8159 -5.0055 -4.9768 -4.9646 -4.8302 -4.7681 -4.7173 -4.7078 -4.6896 -4.6528 -4.5516 -4.5060 -4.4388 -4.3813 -4.3758 -4.3177 -4.3144 2.8414 2.8434 2.9592 2.9825 3.0580 3.1090 3.1842 3.2160 3.3070 3.3212 3.4180 3.4478 5.4559 5.4898 5.9911 5.9938 6.5706 6.5931 6.6204 6.6277 7.0897 7.1028 k = 0.2593-0.2970 0.2102 ( 26734 PWs) bands (ev): -17.4188 -17.4188 -17.3522 -17.3522 -17.3100 -17.3100 -17.2877 -17.2877 -6.8632 -6.8558 -6.8189 -6.7707 -6.2371 -6.2298 -6.2270 -6.1822 -6.0629 -6.0443 -5.9544 -5.8172 -5.0086 -4.9817 -4.9562 -4.8314 -4.7607 -4.7073 -4.7039 -4.6820 -4.6517 -4.5433 -4.5008 -4.4426 -4.3846 -4.3797 -4.3176 -4.3174 2.8408 2.8416 2.9474 2.9829 3.0620 3.1067 3.1839 3.2224 3.3143 3.3290 3.4128 3.4431 5.5247 5.5612 5.9704 5.9748 6.5722 6.5950 6.6114 6.6198 7.0847 7.0990 k = 0.2778-0.3182 0.2253 ( 26724 PWs) bands (ev): -17.4159 -17.4158 -17.3530 -17.3529 -17.3101 -17.3101 -17.2898 -17.2898 -6.8699 -6.8611 -6.8274 -6.7791 -6.2335 -6.2262 -6.2246 -6.1850 -6.0512 -6.0413 -5.9604 -5.8194 -5.0122 -4.9860 -4.9477 -4.8328 -4.7521 -4.7004 -4.6967 -4.6753 -4.6494 -4.5356 -4.4947 -4.4473 -4.3879 -4.3845 -4.3211 -4.3174 2.8399 2.8420 2.9362 2.9826 3.0676 3.1047 3.1838 3.2289 3.3208 3.3366 3.4079 3.4382 5.5917 5.6312 5.9521 5.9585 6.5761 6.5955 6.6014 6.6142 7.0492 7.0710 k = 0.2963-0.3394 0.2403 ( 26716 PWs) bands (ev): -17.4128 -17.4128 -17.3538 -17.3538 -17.3102 -17.3102 -17.2919 -17.2919 -6.8762 -6.8659 -6.8358 -6.7879 -6.2301 -6.2229 -6.2217 -6.1876 -6.0391 -6.0386 -5.9663 -5.8223 -5.0160 -4.9902 -4.9392 -4.8342 -4.7423 -4.6971 -4.6855 -4.6702 -4.6455 -4.5289 -4.4880 -4.4529 -4.3907 -4.3901 -4.3249 -4.3178 2.8387 2.8447 2.9259 2.9815 3.0747 3.1032 3.1837 3.2352 3.3264 3.3438 3.4033 3.4330 5.6558 5.6988 5.9366 5.9450 6.5781 6.5869 6.5943 6.6184 7.0151 7.0354 k = 0.3148-0.3606 0.2553 ( 26732 PWs) bands (ev): -17.4097 -17.4096 -17.3548 -17.3548 -17.3103 -17.3103 -17.2940 -17.2940 -6.8821 -6.8701 -6.8440 -6.7967 -6.2270 -6.2199 -6.2184 -6.1899 -6.0362 -6.0266 -5.9719 -5.8260 -5.0196 -4.9942 -4.9307 -4.8359 -4.7314 -4.6937 -4.6740 -4.6666 -4.6398 -4.5235 -4.4811 -4.4595 -4.3963 -4.3929 -4.3290 -4.3187 2.8380 2.8490 2.9165 2.9798 3.0831 3.1024 3.1833 3.2411 3.3311 3.3505 3.3991 3.4274 5.7160 5.7628 5.9238 5.9345 6.5706 6.5734 6.5979 6.6280 6.9845 7.0033 k = 0.3333-0.3818 0.2703 ( 26752 PWs) bands (ev): -17.4064 -17.4064 -17.3560 -17.3560 -17.3103 -17.3103 -17.2960 -17.2960 -6.8873 -6.8737 -6.8519 -6.8056 -6.2238 -6.2172 -6.2150 -6.1920 -6.0340 -6.0140 -5.9774 -5.8305 -5.0230 -4.9983 -4.9225 -4.8378 -4.7196 -4.6901 -4.6643 -4.6621 -4.6326 -4.5199 -4.4745 -4.4671 -4.4030 -4.3940 -4.3333 -4.3201 2.8376 2.8547 2.9079 2.9775 3.0929 3.1022 3.1824 3.2466 3.3349 3.3564 3.3954 3.4216 5.7708 5.8218 5.9140 5.9272 6.5593 6.5597 6.6060 6.6391 6.9578 6.9751 k = 0.3519-0.4030 0.2853 ( 26742 PWs) bands (ev): -17.4031 -17.4030 -17.3574 -17.3574 -17.3104 -17.3104 -17.2980 -17.2979 -6.8920 -6.8765 -6.8595 -6.8144 -6.2207 -6.2149 -6.2117 -6.1939 -6.0320 -6.0013 -5.9827 -5.8358 -5.0259 -5.0024 -4.9147 -4.8399 -4.7068 -4.6864 -4.6627 -4.6500 -4.6244 -4.5183 -4.4755 -4.4690 -4.4095 -4.3937 -4.3379 -4.3220 2.8377 2.8616 2.9000 2.9745 3.1029 3.1041 3.1809 3.2511 3.3378 3.3616 3.3921 3.4155 5.8190 5.8744 5.9072 5.9231 6.5467 6.5502 6.6146 6.6499 6.9351 6.9509 k = 0.3704-0.4242 0.3003 ( 26760 PWs) bands (ev): -17.3997 -17.3996 -17.3590 -17.3590 -17.3104 -17.3104 -17.2998 -17.2997 -6.8958 -6.8786 -6.8667 -6.8231 -6.2175 -6.2127 -6.2087 -6.1955 -6.0301 -5.9884 -5.9877 -5.8419 -5.0283 -5.0065 -4.9072 -4.8423 -4.6933 -4.6826 -4.6615 -4.6378 -4.6154 -4.5191 -4.4848 -4.4658 -4.4145 -4.3921 -4.3426 -4.3244 2.8383 2.8696 2.8928 2.9711 3.1046 3.1164 3.1787 3.2545 3.3402 3.3660 3.3894 3.4091 5.8591 5.9037 5.9169 5.9242 6.5379 6.5438 6.6222 6.6594 6.9160 6.9305 k = 0.3889-0.4454 0.3154 ( 26760 PWs) bands (ev): -17.3963 -17.3962 -17.3608 -17.3608 -17.3103 -17.3103 -17.3015 -17.3014 -6.8990 -6.8799 -6.8734 -6.8314 -6.2145 -6.2109 -6.2061 -6.1970 -6.0283 -5.9925 -5.9757 -5.8487 -5.0302 -5.0105 -4.9002 -4.8450 -4.6791 -4.6788 -4.6605 -4.6255 -4.6057 -4.5224 -4.4946 -4.4667 -4.4164 -4.3890 -4.3476 -4.3274 2.8393 2.8783 2.8861 2.9670 3.1072 3.1299 3.1756 3.2563 3.3422 3.3696 3.3871 3.4025 5.8881 5.9054 5.9233 5.9551 6.5346 6.5420 6.6280 6.6663 6.9006 6.9139 k = 0.4074-0.4666 0.3304 ( 26746 PWs) bands (ev): -17.3928 -17.3927 -17.3629 -17.3628 -17.3102 -17.3102 -17.3030 -17.3030 -6.9013 -6.8805 -6.8795 -6.8392 -6.2115 -6.2093 -6.2040 -6.1983 -6.0265 -5.9970 -5.9630 -5.8562 -5.0314 -5.0143 -4.8936 -4.8479 -4.6750 -4.6645 -4.6598 -4.6133 -4.5953 -4.5283 -4.5046 -4.4724 -4.4144 -4.3848 -4.3528 -4.3309 2.8408 2.8800 2.8874 2.9624 3.1108 3.1442 3.1715 3.2560 3.3443 3.3725 3.3853 3.3957 5.8987 5.9192 5.9282 5.9798 6.5380 6.5451 6.6314 6.6700 6.8888 6.9012 k = 0.4259-0.4879 0.3454 ( 26736 PWs) bands (ev): -17.3894 -17.3893 -17.3651 -17.3651 -17.3100 -17.3100 -17.3044 -17.3043 -6.9028 -6.8852 -6.8800 -6.8466 -6.2087 -6.2079 -6.2023 -6.1995 -6.0246 -6.0013 -5.9505 -5.8644 -5.0321 -5.0180 -4.8875 -4.8512 -4.6715 -4.6594 -4.6495 -4.6012 -4.5841 -4.5368 -4.5145 -4.4817 -4.4097 -4.3797 -4.3582 -4.3350 2.8428 2.8742 2.8967 2.9573 3.1153 3.1592 3.1666 3.2533 3.3468 3.3747 3.3838 3.3890 5.9035 5.9325 5.9356 5.9944 6.5483 6.5529 6.6320 6.6698 6.8808 6.8926 k = 0.4444-0.5091 0.3604 ( 26742 PWs) bands (ev): -17.3860 -17.3859 -17.3676 -17.3676 -17.3097 -17.3097 -17.3056 -17.3055 -6.9035 -6.8901 -6.8787 -6.8534 -6.2066 -6.2063 -6.2012 -6.2006 -6.0226 -6.0052 -5.9382 -5.8733 -5.0322 -5.0213 -4.8818 -4.8547 -4.6684 -4.6593 -4.6342 -4.5893 -4.5721 -4.5475 -4.5242 -4.4932 -4.4036 -4.3740 -4.3640 -4.3396 2.8453 2.8689 2.9059 2.9517 3.1207 3.1609 3.1744 3.2479 3.3500 3.3764 3.3823 3.3826 5.9092 5.9393 5.9451 5.9996 6.5644 6.5645 6.6296 6.6652 6.8767 6.8882 k = 0.4630-0.5303 0.3754 ( 26754 PWs) bands (ev): -17.3826 -17.3826 -17.3703 -17.3702 -17.3093 -17.3093 -17.3066 -17.3066 -6.9033 -6.8943 -6.8765 -6.8596 -6.2055 -6.2042 -6.2015 -6.2007 -6.0204 -6.0089 -5.9262 -5.8828 -5.0317 -5.0243 -4.8765 -4.8585 -4.6656 -4.6596 -4.6189 -4.5781 -4.5595 -4.5595 -4.5341 -4.5059 -4.3968 -4.3701 -4.3680 -4.3446 2.8482 2.8640 2.9148 2.9455 3.1269 3.1545 3.1895 3.2400 3.3539 3.3758 3.3778 3.3816 5.9161 5.9402 5.9562 5.9976 6.5781 6.5842 6.6243 6.6562 6.8767 6.8882 k = 0.4815-0.5515 0.3905 ( 26736 PWs) bands (ev): -17.3793 -17.3793 -17.3732 -17.3731 -17.3089 -17.3088 -17.3075 -17.3075 -6.9023 -6.8978 -6.8735 -6.8650 -6.2044 -6.2025 -6.2025 -6.2007 -6.0179 -6.0122 -5.9147 -5.8929 -5.0306 -5.0268 -4.8715 -4.8625 -4.6634 -4.6604 -4.6038 -4.5756 -4.5644 -4.5463 -4.5442 -4.5193 -4.3899 -4.3764 -4.3619 -4.3501 2.8515 2.8594 2.9233 2.9387 3.1336 3.1477 3.2041 3.2298 3.3585 3.3696 3.3789 3.3807 5.9236 5.9369 5.9682 5.9904 6.5921 6.6053 6.6161 6.6427 6.8810 6.8927 k = 0.5000-0.5727 0.4055 ( 26736 PWs) bands (ev): -17.3762 -17.3762 -17.3761 -17.3761 -17.3083 -17.3083 -17.3082 -17.3082 -6.9005 -6.9005 -6.8697 -6.8697 -6.2035 -6.2035 -6.2013 -6.2013 -6.0152 -6.0152 -5.9035 -5.9035 -5.0290 -5.0290 -4.8669 -4.8669 -4.6616 -4.6616 -4.5890 -4.5890 -4.5545 -4.5545 -4.5328 -4.5328 -4.3831 -4.3831 -4.3559 -4.3559 2.8553 2.8553 2.9313 2.9313 3.1406 3.1406 3.2177 3.2177 3.3638 3.3638 3.3798 3.3798 5.9309 5.9309 5.9800 5.9800 6.6051 6.6051 6.6254 6.6254 6.8897 6.8897 k = 0.5000-0.5727 0.4055 ( 26736 PWs) bands (ev): -17.3762 -17.3762 -17.3761 -17.3761 -17.3083 -17.3083 -17.3082 -17.3082 -6.9005 -6.9005 -6.8697 -6.8697 -6.2035 -6.2035 -6.2013 -6.2013 -6.0152 -6.0152 -5.9035 -5.9035 -5.0290 -5.0290 -4.8669 -4.8669 -4.6616 -4.6616 -4.5890 -4.5890 -4.5545 -4.5545 -4.5328 -4.5328 -4.3831 -4.3831 -4.3559 -4.3559 2.8553 2.8553 2.9313 2.9313 3.1406 3.1406 3.2177 3.2177 3.3638 3.3638 3.3798 3.3798 5.9309 5.9309 5.9800 5.9800 6.6051 6.6051 6.6254 6.6254 6.8897 6.8897 k = 0.5250-0.5582 0.3952 ( 26738 PWs) bands (ev): -17.3762 -17.3762 -17.3761 -17.3761 -17.3083 -17.3083 -17.3082 -17.3082 -6.9005 -6.9004 -6.8698 -6.8697 -6.2052 -6.2052 -6.1997 -6.1997 -6.0149 -6.0149 -5.9036 -5.9036 -5.0287 -5.0287 -4.8669 -4.8669 -4.6621 -4.6620 -4.5888 -4.5888 -4.5549 -4.5549 -4.5327 -4.5327 -4.3832 -4.3832 -4.3557 -4.3557 2.8549 2.8550 2.9307 2.9307 3.1404 3.1405 3.2179 3.2180 3.3627 3.3628 3.3802 3.3803 5.9329 5.9329 5.9820 5.9820 6.6053 6.6053 6.6261 6.6261 6.8895 6.8895 k = 0.5500-0.5436 0.3849 ( 26756 PWs) bands (ev): -17.3761 -17.3761 -17.3761 -17.3761 -17.3083 -17.3083 -17.3083 -17.3083 -6.9005 -6.9004 -6.8700 -6.8700 -6.2076 -6.2076 -6.1975 -6.1975 -6.0140 -6.0140 -5.9036 -5.9036 -5.0280 -5.0280 -4.8669 -4.8669 -4.6632 -4.6632 -4.5883 -4.5883 -4.5559 -4.5559 -4.5323 -4.5323 -4.3836 -4.3836 -4.3553 -4.3553 2.8540 2.8541 2.9290 2.9290 3.1399 3.1400 3.2186 3.2187 3.3598 3.3600 3.3811 3.3813 5.9389 5.9389 5.9879 5.9879 6.6058 6.6058 6.6280 6.6280 6.8897 6.8898 k = 0.5750-0.5291 0.3746 ( 26752 PWs) bands (ev): -17.3760 -17.3760 -17.3760 -17.3760 -17.3084 -17.3084 -17.3084 -17.3084 -6.9004 -6.9004 -6.8704 -6.8703 -6.2101 -6.2100 -6.1954 -6.1954 -6.0124 -6.0124 -5.9037 -5.9037 -5.0269 -5.0269 -4.8669 -4.8669 -4.6651 -4.6650 -4.5874 -4.5874 -4.5575 -4.5575 -4.5318 -4.5318 -4.3841 -4.3841 -4.3547 -4.3547 2.8525 2.8526 2.9261 2.9262 3.1392 3.1393 3.2195 3.2197 3.3558 3.3561 3.3820 3.3822 5.9487 5.9487 5.9977 5.9978 6.6062 6.6062 6.6303 6.6303 6.8917 6.8917 k = 0.6000-0.5145 0.3643 ( 26758 PWs) bands (ev): -17.3759 -17.3759 -17.3759 -17.3759 -17.3085 -17.3085 -17.3085 -17.3085 -6.9004 -6.9003 -6.8709 -6.8708 -6.2124 -6.2124 -6.1936 -6.1936 -6.0102 -6.0102 -5.9038 -5.9038 -5.0252 -5.0252 -4.8671 -4.8671 -4.6674 -4.6674 -4.5863 -4.5863 -4.5597 -4.5597 -4.5313 -4.5312 -4.3848 -4.3848 -4.3540 -4.3539 2.8506 2.8507 2.9223 2.9224 3.1383 3.1385 3.2204 3.2206 3.3513 3.3517 3.3825 3.3828 5.9622 5.9622 6.0113 6.0113 6.6060 6.6060 6.6319 6.6319 6.8966 6.8967 k = 0.6250-0.5000 0.3540 ( 26782 PWs) bands (ev): -17.3758 -17.3758 -17.3757 -17.3757 -17.3087 -17.3087 -17.3087 -17.3087 -6.9004 -6.9003 -6.8716 -6.8715 -6.2145 -6.2145 -6.1922 -6.1921 -6.0075 -6.0075 -5.9041 -5.9040 -5.0231 -5.0231 -4.8674 -4.8674 -4.6700 -4.6700 -4.5851 -4.5850 -4.5623 -4.5622 -4.5308 -4.5308 -4.3854 -4.3854 -4.3532 -4.3532 2.8482 2.8483 2.9174 2.9176 3.1374 3.1376 3.2210 3.2213 3.3468 3.3471 3.3826 3.3829 5.9793 5.9793 6.0284 6.0284 6.6045 6.6046 6.6317 6.6317 6.9056 6.9056 k = 0.6500-0.4855 0.3437 ( 26782 PWs) bands (ev): -17.3756 -17.3756 -17.3755 -17.3755 -17.3089 -17.3089 -17.3088 -17.3088 -6.9003 -6.9002 -6.8724 -6.8723 -6.2164 -6.2163 -6.1911 -6.1910 -6.0042 -6.0042 -5.9044 -5.9044 -5.0205 -5.0205 -4.8680 -4.8680 -4.6728 -4.6727 -4.5838 -4.5838 -4.5651 -4.5651 -4.5304 -4.5304 -4.3859 -4.3859 -4.3525 -4.3525 2.8454 2.8456 2.9118 2.9119 3.1366 3.1368 3.2210 3.2213 3.3425 3.3429 3.3823 3.3825 5.9997 5.9997 6.0488 6.0488 6.6014 6.6015 6.6291 6.6291 6.9189 6.9189 k = 0.6750-0.4709 0.3334 ( 26778 PWs) bands (ev): -17.3754 -17.3754 -17.3754 -17.3754 -17.3091 -17.3091 -17.3090 -17.3090 -6.9001 -6.9000 -6.8733 -6.8732 -6.2179 -6.2179 -6.1904 -6.1903 -6.0004 -6.0004 -5.9049 -5.9048 -5.0175 -5.0175 -4.8690 -4.8690 -4.6754 -4.6754 -4.5827 -4.5827 -4.5682 -4.5682 -4.5303 -4.5303 -4.3862 -4.3862 -4.3519 -4.3519 2.8424 2.8426 2.9054 2.9056 3.1359 3.1361 3.2201 3.2205 3.3389 3.3392 3.3816 3.3818 6.0231 6.0231 6.0721 6.0721 6.5965 6.5965 6.6238 6.6238 6.9362 6.9362 k = 0.7000-0.4564 0.3231 ( 26762 PWs) bands (ev): -17.3752 -17.3752 -17.3751 -17.3751 -17.3093 -17.3093 -17.3092 -17.3092 -6.9000 -6.8998 -6.8744 -6.8743 -6.2192 -6.2191 -6.1901 -6.1900 -5.9962 -5.9962 -5.9055 -5.9055 -5.0139 -5.0139 -4.8704 -4.8704 -4.6776 -4.6776 -4.5822 -4.5822 -4.5709 -4.5709 -4.5304 -4.5304 -4.3862 -4.3862 -4.3514 -4.3514 2.8393 2.8395 2.8985 2.8987 3.1353 3.1355 3.2181 3.2185 3.3361 3.3364 3.3805 3.3807 6.0490 6.0490 6.0980 6.0980 6.5898 6.5898 6.6162 6.6163 6.9561 6.9562 k = 0.7250-0.4418 0.3128 ( 26758 PWs) bands (ev): -17.3750 -17.3750 -17.3749 -17.3749 -17.3095 -17.3095 -17.3095 -17.3095 -6.8997 -6.8996 -6.8756 -6.8754 -6.2200 -6.2200 -6.1902 -6.1901 -5.9916 -5.9916 -5.9063 -5.9063 -5.0099 -5.0099 -4.8725 -4.8725 -4.6794 -4.6794 -4.5831 -4.5831 -4.5725 -4.5725 -4.5308 -4.5308 -4.3860 -4.3859 -4.3512 -4.3512 2.8361 2.8363 2.8912 2.8914 3.1350 3.1352 3.2150 3.2153 3.3343 3.3346 3.3792 3.3794 6.0771 6.0771 6.1259 6.1259 6.5818 6.5819 6.6071 6.6071 6.9763 6.9763 k = 0.7500-0.4273 0.3025 ( 26770 PWs) bands (ev): -17.3747 -17.3747 -17.3747 -17.3747 -17.3097 -17.3097 -17.3097 -17.3097 -6.8994 -6.8993 -6.8768 -6.8767 -6.2205 -6.2205 -6.1906 -6.1906 -5.9867 -5.9866 -5.9074 -5.9074 -5.0054 -5.0054 -4.8753 -4.8752 -4.6804 -4.6804 -4.5861 -4.5861 -4.5724 -4.5724 -4.5315 -4.5315 -4.3854 -4.3853 -4.3513 -4.3512 2.8330 2.8332 2.8836 2.8838 3.1348 3.1350 3.2107 3.2110 3.3336 3.3339 3.3776 3.3778 6.1066 6.1066 6.1552 6.1552 6.5731 6.5731 6.5973 6.5973 6.9935 6.9935 k = 0.7750-0.4128 0.2922 ( 26754 PWs) bands (ev): -17.3745 -17.3745 -17.3745 -17.3745 -17.3100 -17.3100 -17.3100 -17.3099 -6.8990 -6.8989 -6.8782 -6.8780 -6.2207 -6.2207 -6.1915 -6.1914 -5.9815 -5.9815 -5.9087 -5.9087 -5.0004 -5.0004 -4.8788 -4.8788 -4.6807 -4.6806 -4.5905 -4.5904 -4.5712 -4.5712 -4.5326 -4.5326 -4.3844 -4.3844 -4.3516 -4.3516 2.8301 2.8303 2.8760 2.8762 3.1349 3.1351 3.2054 3.2057 3.3339 3.3342 3.3759 3.3761 6.1371 6.1371 6.1852 6.1852 6.5644 6.5644 6.5876 6.5876 7.0043 7.0043 k = 0.8000-0.3982 0.2819 ( 26754 PWs) bands (ev): -17.3743 -17.3743 -17.3742 -17.3742 -17.3102 -17.3102 -17.3102 -17.3102 -6.8986 -6.8984 -6.8796 -6.8794 -6.2205 -6.2204 -6.1926 -6.1926 -5.9762 -5.9761 -5.9103 -5.9103 -4.9949 -4.9949 -4.8831 -4.8831 -4.6800 -4.6800 -4.5956 -4.5955 -4.5696 -4.5696 -4.5339 -4.5339 -4.3832 -4.3831 -4.3521 -4.3521 2.8274 2.8276 2.8685 2.8686 3.1353 3.1355 3.1995 3.1998 3.3350 3.3353 3.3740 3.3742 6.1676 6.1676 6.2147 6.2148 6.5565 6.5565 6.5789 6.5789 7.0068 7.0068 k = 0.8250-0.3837 0.2717 ( 26768 PWs) bands (ev): -17.3741 -17.3741 -17.3740 -17.3740 -17.3104 -17.3104 -17.3104 -17.3104 -6.8980 -6.8978 -6.8810 -6.8808 -6.2199 -6.2199 -6.1941 -6.1940 -5.9707 -5.9707 -5.9122 -5.9122 -4.9890 -4.9890 -4.8881 -4.8881 -4.6784 -4.6784 -4.6012 -4.6011 -4.5677 -4.5676 -4.5355 -4.5355 -4.3816 -4.3816 -4.3530 -4.3530 2.8251 2.8253 2.8611 2.8613 3.1359 3.1362 3.1931 3.1934 3.3368 3.3370 3.3720 3.3722 6.1973 6.1973 6.2429 6.2429 6.5501 6.5501 6.5718 6.5718 7.0014 7.0014 k = 0.8500-0.3692 0.2614 ( 26758 PWs) bands (ev): -17.3739 -17.3739 -17.3738 -17.3738 -17.3106 -17.3106 -17.3106 -17.3106 -6.8973 -6.8971 -6.8825 -6.8823 -6.2190 -6.2190 -6.1958 -6.1957 -5.9652 -5.9652 -5.9145 -5.9144 -4.9827 -4.9827 -4.8939 -4.8939 -4.6758 -4.6758 -4.6071 -4.6071 -4.5656 -4.5656 -4.5373 -4.5373 -4.3798 -4.3797 -4.3542 -4.3541 2.8232 2.8234 2.8542 2.8544 3.1369 3.1372 3.1865 3.1868 3.3390 3.3392 3.3700 3.3701 6.2253 6.2253 6.2684 6.2684 6.5460 6.5461 6.5668 6.5668 6.9906 6.9906 k = 0.8750-0.3546 0.2511 ( 26754 PWs) bands (ev): -17.3737 -17.3737 -17.3737 -17.3737 -17.3108 -17.3108 -17.3108 -17.3108 -6.8966 -6.8964 -6.8840 -6.8838 -6.2178 -6.2178 -6.1976 -6.1976 -5.9598 -5.9598 -5.9170 -5.9170 -4.9760 -4.9760 -4.9003 -4.9003 -4.6725 -4.6724 -4.6134 -4.6133 -4.5634 -4.5634 -4.5393 -4.5393 -4.3777 -4.3777 -4.3556 -4.3556 2.8218 2.8220 2.8477 2.8479 3.1384 3.1386 3.1800 3.1803 3.3415 3.3417 3.3678 3.3679 6.2507 6.2507 6.2899 6.2899 6.5449 6.5450 6.5642 6.5642 6.9771 6.9771 k = 0.9000-0.3401 0.2408 ( 26752 PWs) bands (ev): -17.3735 -17.3735 -17.3735 -17.3735 -17.3110 -17.3110 -17.3110 -17.3110 -6.8957 -6.8955 -6.8855 -6.8853 -6.2163 -6.2163 -6.1997 -6.1996 -5.9545 -5.9544 -5.9200 -5.9199 -4.9689 -4.9689 -4.9073 -4.9073 -4.6683 -4.6683 -4.6198 -4.6198 -4.5611 -4.5611 -4.5415 -4.5415 -4.3755 -4.3754 -4.3572 -4.3572 2.8211 2.8213 2.8418 2.8419 3.1402 3.1405 3.1737 3.1739 3.3442 3.3444 3.3655 3.3657 6.2728 6.2728 6.3065 6.3065 6.5469 6.5469 6.5637 6.5637 6.9633 6.9633 k = 0.9250-0.3255 0.2305 ( 26738 PWs) bands (ev): -17.3734 -17.3734 -17.3734 -17.3734 -17.3111 -17.3111 -17.3111 -17.3111 -6.8947 -6.8945 -6.8870 -6.8868 -6.2146 -6.2146 -6.2018 -6.2018 -5.9493 -5.9492 -5.9232 -5.9232 -4.9616 -4.9615 -4.9147 -4.9147 -4.6634 -4.6634 -4.6264 -4.6263 -4.5587 -4.5587 -4.5439 -4.5439 -4.3731 -4.3731 -4.3591 -4.3591 2.8210 2.8212 2.8365 2.8367 3.1425 3.1428 3.1677 3.1680 3.3470 3.3472 3.3632 3.3633 6.2911 6.2911 6.3177 6.3177 6.5514 6.5514 6.5647 6.5647 6.9509 6.9509 k = 0.9500-0.3110 0.2202 ( 26748 PWs) bands (ev): -17.3733 -17.3733 -17.3733 -17.3733 -17.3112 -17.3112 -17.3112 -17.3112 -6.8936 -6.8934 -6.8885 -6.8883 -6.2127 -6.2127 -6.2041 -6.2040 -5.9442 -5.9442 -5.9268 -5.9267 -4.9539 -4.9539 -4.9223 -4.9223 -4.6580 -4.6580 -4.6330 -4.6329 -4.5563 -4.5563 -4.5463 -4.5463 -4.3707 -4.3706 -4.3612 -4.3612 2.8216 2.8218 2.8320 2.8322 3.1453 3.1456 3.1622 3.1624 3.3499 3.3500 3.3607 3.3608 6.3053 6.3054 6.3237 6.3237 6.5570 6.5570 6.5662 6.5662 6.9413 6.9413 k = 0.9750-0.2965 0.2099 ( 26742 PWs) bands (ev): -17.3733 -17.3733 -17.3732 -17.3732 -17.3113 -17.3113 -17.3112 -17.3112 -6.8925 -6.8923 -6.8898 -6.8896 -6.2107 -6.2107 -6.2063 -6.2063 -5.9395 -5.9394 -5.9307 -5.9307 -4.9461 -4.9461 -4.9302 -4.9302 -4.6522 -4.6521 -4.6395 -4.6395 -4.5538 -4.5538 -4.5488 -4.5488 -4.3682 -4.3682 -4.3634 -4.3634 2.8230 2.8232 2.8282 2.8284 3.1487 3.1490 3.1571 3.1574 3.3527 3.3528 3.3581 3.3582 6.3157 6.3157 6.3251 6.3251 6.5622 6.5623 6.5669 6.5669 6.9357 6.9357 k = 1.0000-0.2819 0.1996 ( 26738 PWs) bands (ev): -17.3732 -17.3732 -17.3732 -17.3732 -17.3113 -17.3113 -17.3113 -17.3113 -6.8914 -6.8914 -6.8908 -6.8908 -6.2085 -6.2085 -6.2085 -6.2085 -5.9350 -5.9350 -5.9349 -5.9349 -4.9382 -4.9382 -4.9381 -4.9381 -4.6460 -4.6460 -4.6459 -4.6459 -4.5513 -4.5513 -4.5513 -4.5513 -4.3658 -4.3658 -4.3657 -4.3657 2.8252 2.8252 2.8255 2.8255 3.1526 3.1526 3.1529 3.1529 3.3554 3.3554 3.3556 3.3556 6.3223 6.3223 6.3223 6.3223 6.5657 6.5657 6.5657 6.5657 6.9347 6.9347 k = 1.0000-0.2819 0.1996 ( 26738 PWs) bands (ev): -17.3732 -17.3732 -17.3732 -17.3732 -17.3113 -17.3113 -17.3113 -17.3113 -6.8914 -6.8914 -6.8908 -6.8908 -6.2085 -6.2085 -6.2085 -6.2085 -5.9350 -5.9350 -5.9349 -5.9349 -4.9382 -4.9382 -4.9381 -4.9381 -4.6460 -4.6460 -4.6459 -4.6459 -4.5513 -4.5513 -4.5513 -4.5513 -4.3658 -4.3658 -4.3657 -4.3657 2.8252 2.8252 2.8255 2.8255 3.1526 3.1526 3.1529 3.1529 3.3554 3.3554 3.3556 3.3556 6.3223 6.3223 6.3223 6.3223 6.5657 6.5657 6.5657 6.5657 6.9347 6.9347 k = 0.9815-0.2607 0.1846 ( 26752 PWs) bands (ev): -17.3734 -17.3734 -17.3734 -17.3734 -17.3111 -17.3111 -17.3111 -17.3111 -6.8922 -6.8919 -6.8895 -6.8891 -6.2111 -6.2110 -6.2064 -6.2063 -5.9417 -5.9416 -5.9283 -5.9282 -4.9405 -4.9405 -4.9360 -4.9359 -4.6543 -4.6542 -4.6377 -4.6376 -4.5595 -4.5595 -4.5438 -4.5438 -4.3685 -4.3685 -4.3629 -4.3629 2.8224 2.8227 2.8279 2.8282 3.1425 3.1426 3.1618 3.1619 3.3442 3.3444 3.3671 3.3672 6.3215 6.3215 6.3254 6.3254 6.5612 6.5613 6.5679 6.5679 6.9344 6.9344 k = 0.9630-0.2395 0.1696 ( 26762 PWs) bands (ev): -17.3739 -17.3739 -17.3738 -17.3738 -17.3107 -17.3107 -17.3106 -17.3106 -6.8923 -6.8920 -6.8869 -6.8865 -6.2140 -6.2139 -6.2046 -6.2046 -5.9483 -5.9482 -5.9219 -5.9218 -4.9430 -4.9429 -4.9339 -4.9339 -4.6623 -4.6623 -4.6297 -4.6296 -4.5683 -4.5682 -4.5372 -4.5372 -4.3712 -4.3712 -4.3600 -4.3600 2.8197 2.8200 2.8305 2.8308 3.1315 3.1316 3.1692 3.1693 3.3340 3.3342 3.3789 3.3790 6.3227 6.3227 6.3306 6.3306 6.5547 6.5547 6.5681 6.5681 6.9361 6.9361 k = 0.9444-0.2183 0.1545 ( 26756 PWs) bands (ev): -17.3746 -17.3746 -17.3746 -17.3746 -17.3099 -17.3099 -17.3099 -17.3099 -6.8916 -6.8912 -6.8834 -6.8831 -6.2171 -6.2170 -6.2033 -6.2033 -5.9549 -5.9548 -5.9156 -5.9155 -4.9456 -4.9456 -4.9319 -4.9318 -4.6700 -4.6700 -4.6225 -4.6225 -4.5770 -4.5769 -4.5314 -4.5314 -4.3739 -4.3738 -4.3570 -4.3569 2.8170 2.8173 2.8332 2.8334 3.1201 3.1202 3.1745 3.1746 3.3251 3.3253 3.3905 3.3907 6.3253 6.3254 6.3371 6.3371 6.5469 6.5469 6.5669 6.5669 6.9398 6.9398 k = 0.9259-0.1971 0.1395 ( 26766 PWs) bands (ev): -17.3756 -17.3756 -17.3756 -17.3756 -17.3089 -17.3089 -17.3089 -17.3089 -6.8900 -6.8897 -6.8792 -6.8788 -6.2204 -6.2204 -6.2026 -6.2026 -5.9612 -5.9611 -5.9096 -5.9095 -4.9484 -4.9484 -4.9299 -4.9299 -4.6773 -4.6773 -4.6175 -4.6175 -4.5843 -4.5843 -4.5265 -4.5265 -4.3765 -4.3765 -4.3539 -4.3539 2.8145 2.8149 2.8358 2.8360 3.1084 3.1085 3.1772 3.1773 3.3180 3.3182 3.4018 3.4019 6.3283 6.3283 6.3437 6.3437 6.5392 6.5393 6.5656 6.5657 6.9449 6.9449 k = 0.9074-0.1759 0.1245 ( 26768 PWs) bands (ev): -17.3769 -17.3768 -17.3768 -17.3768 -17.3077 -17.3077 -17.3077 -17.3076 -6.8877 -6.8873 -6.8742 -6.8738 -6.2239 -6.2239 -6.2025 -6.2025 -5.9673 -5.9672 -5.9040 -5.9039 -4.9514 -4.9514 -4.9279 -4.9279 -4.6842 -4.6841 -4.6175 -4.6175 -4.5876 -4.5876 -4.5223 -4.5222 -4.3791 -4.3791 -4.3508 -4.3508 2.8123 2.8126 2.8384 2.8386 3.0969 3.0970 3.1770 3.1771 3.3131 3.3133 3.4124 3.4125 6.3300 6.3300 6.3482 6.3483 6.5340 6.5340 6.5658 6.5659 6.9510 6.9511 k = 0.8889-0.1547 0.1095 ( 26764 PWs) bands (ev): -17.3783 -17.3783 -17.3782 -17.3782 -17.3063 -17.3063 -17.3062 -17.3062 -6.8846 -6.8843 -6.8684 -6.8681 -6.2276 -6.2275 -6.2030 -6.2030 -5.9729 -5.9728 -5.8987 -5.8986 -4.9547 -4.9546 -4.9260 -4.9259 -4.6907 -4.6906 -4.6236 -4.6235 -4.5858 -4.5858 -4.5185 -4.5185 -4.3818 -4.3818 -4.3478 -4.3478 2.8104 2.8108 2.8411 2.8413 3.0856 3.0857 3.1738 3.1740 3.3103 3.3105 3.4223 3.4224 6.3286 6.3286 6.3483 6.3483 6.5337 6.5337 6.5692 6.5692 6.9577 6.9577 k = 0.8704-0.1334 0.0945 ( 26764 PWs) bands (ev): -17.3798 -17.3798 -17.3798 -17.3798 -17.3047 -17.3047 -17.3047 -17.3046 -6.8809 -6.8806 -6.8620 -6.8616 -6.2313 -6.2313 -6.2042 -6.2042 -5.9781 -5.9780 -5.8939 -5.8938 -4.9581 -4.9580 -4.9240 -4.9240 -4.6969 -4.6968 -4.6328 -4.6328 -4.5818 -4.5817 -4.5150 -4.5149 -4.3846 -4.3845 -4.3450 -4.3449 2.8090 2.8094 2.8439 2.8441 3.0749 3.0750 3.1680 3.1682 3.3094 3.3096 3.4312 3.4313 6.3225 6.3225 6.3420 6.3420 6.5404 6.5404 6.5771 6.5772 6.9644 6.9645 k = 0.8519-0.1122 0.0795 ( 26784 PWs) bands (ev): -17.3815 -17.3815 -17.3814 -17.3814 -17.3031 -17.3030 -17.3030 -17.3030 -6.8765 -6.8762 -6.8549 -6.8545 -6.2351 -6.2350 -6.2061 -6.2061 -5.9827 -5.9827 -5.8895 -5.8894 -4.9617 -4.9616 -4.9220 -4.9219 -4.7030 -4.7030 -4.6429 -4.6429 -4.5776 -4.5775 -4.5114 -4.5114 -4.3874 -4.3874 -4.3423 -4.3423 2.8082 2.8085 2.8469 2.8471 3.0648 3.0650 3.1601 3.1604 3.3098 3.3100 3.4391 3.4392 6.3107 6.3107 6.3291 6.3291 6.5544 6.5544 6.5902 6.5902 6.9707 6.9707 k = 0.8333-0.0910 0.0644 ( 26772 PWs) bands (ev): -17.3832 -17.3832 -17.3832 -17.3832 -17.3013 -17.3013 -17.3013 -17.3012 -6.8716 -6.8712 -6.8472 -6.8469 -6.2389 -6.2389 -6.2087 -6.2087 -5.9868 -5.9867 -5.8855 -5.8854 -4.9654 -4.9653 -4.9199 -4.9198 -4.7094 -4.7093 -4.6530 -4.6530 -4.5741 -4.5740 -4.5076 -4.5076 -4.3903 -4.3903 -4.3400 -4.3399 2.8080 2.8083 2.8501 2.8504 3.0557 3.0559 3.1507 3.1510 3.3109 3.3112 3.4459 3.4460 6.2932 6.2932 6.3112 6.3112 6.5743 6.5744 6.6080 6.6080 6.9761 6.9761 k = 0.8148-0.0698 0.0494 ( 26772 PWs) bands (ev): -17.3850 -17.3850 -17.3850 -17.3849 -17.2995 -17.2995 -17.2995 -17.2994 -6.8661 -6.8658 -6.8391 -6.8388 -6.2427 -6.2427 -6.2119 -6.2119 -5.9902 -5.9902 -5.8820 -5.8819 -4.9691 -4.9691 -4.9177 -4.9176 -4.7164 -4.7163 -4.6624 -4.6623 -4.5716 -4.5715 -4.5035 -4.5035 -4.3932 -4.3932 -4.3379 -4.3379 2.8083 2.8087 2.8537 2.8539 3.0477 3.0479 3.1404 3.1406 3.3124 3.3126 3.4514 3.4515 6.2708 6.2708 6.2897 6.2898 6.5984 6.5984 6.6295 6.6295 6.9800 6.9800 k = 0.7963-0.0486 0.0344 ( 26788 PWs) bands (ev): -17.3868 -17.3868 -17.3868 -17.3867 -17.2977 -17.2977 -17.2977 -17.2976 -6.8602 -6.8599 -6.8306 -6.8303 -6.2465 -6.2465 -6.2157 -6.2157 -5.9930 -5.9930 -5.8790 -5.8789 -4.9728 -4.9728 -4.9154 -4.9154 -4.7242 -4.7242 -4.6706 -4.6706 -4.5699 -4.5699 -4.4991 -4.4991 -4.3962 -4.3962 -4.3364 -4.3363 2.8093 2.8097 2.8577 2.8579 3.0411 3.0412 3.1295 3.1297 3.3137 3.3139 3.4556 3.4557 6.2447 6.2448 6.2658 6.2659 6.6250 6.6250 6.6535 6.6535 6.9819 6.9820 k = 0.7778-0.0274 0.0194 ( 26772 PWs) bands (ev): -17.3886 -17.3886 -17.3885 -17.3885 -17.2959 -17.2959 -17.2959 -17.2958 -6.8540 -6.8536 -6.8218 -6.8214 -6.2503 -6.2502 -6.2201 -6.2200 -5.9953 -5.9952 -5.8765 -5.8764 -4.9765 -4.9764 -4.9131 -4.9131 -4.7331 -4.7331 -4.6777 -4.6776 -4.5691 -4.5690 -4.4946 -4.4946 -4.3990 -4.3990 -4.3352 -4.3352 2.8107 2.8111 2.8621 2.8623 3.0359 3.0360 3.1185 3.1187 3.3145 3.3147 3.4584 3.4585 6.2164 6.2164 6.2403 6.2403 6.6526 6.6526 6.6785 6.6786 6.9814 6.9814 k = 0.7593-0.0062 0.0044 ( 26784 PWs) bands (ev): -17.3904 -17.3904 -17.3903 -17.3903 -17.2942 -17.2941 -17.2941 -17.2941 -6.8475 -6.8471 -6.8127 -6.8124 -6.2540 -6.2540 -6.2247 -6.2247 -5.9969 -5.9969 -5.8744 -5.8743 -4.9799 -4.9799 -4.9108 -4.9108 -4.7428 -4.7428 -4.6836 -4.6836 -4.5687 -4.5686 -4.4901 -4.4901 -4.4017 -4.4017 -4.3346 -4.3346 2.8124 2.8128 2.8671 2.8673 3.0324 3.0325 3.1077 3.1080 3.3148 3.3150 3.4597 3.4598 6.1868 6.1869 6.2136 6.2136 6.6801 6.6801 6.7036 6.7036 6.9778 6.9779 k = 0.7407 0.0150-0.0106 ( 26782 PWs) bands (ev): -17.3921 -17.3921 -17.3920 -17.3920 -17.2925 -17.2924 -17.2924 -17.2924 -6.8408 -6.8405 -6.8036 -6.8033 -6.2577 -6.2576 -6.2297 -6.2296 -5.9981 -5.9980 -5.8728 -5.8727 -4.9831 -4.9831 -4.9085 -4.9085 -4.7531 -4.7531 -4.6888 -4.6888 -4.5685 -4.5684 -4.4859 -4.4859 -4.4041 -4.4040 -4.3345 -4.3345 2.8141 2.8144 2.8729 2.8730 3.0305 3.0306 3.0976 3.0979 3.3144 3.3146 3.4596 3.4596 6.1569 6.1569 6.1864 6.1865 6.7065 6.7066 6.7276 6.7276 6.9712 6.9712 k = 0.7222 0.0362-0.0257 ( 26784 PWs) bands (ev): -17.3937 -17.3937 -17.3936 -17.3936 -17.2908 -17.2908 -17.2907 -17.2907 -6.8340 -6.8337 -6.7944 -6.7941 -6.2613 -6.2613 -6.2348 -6.2347 -5.9987 -5.9987 -5.8715 -5.8714 -4.9859 -4.9859 -4.9063 -4.9063 -4.7636 -4.7636 -4.6935 -4.6935 -4.5682 -4.5682 -4.4823 -4.4823 -4.4059 -4.4059 -4.3350 -4.3349 2.8154 2.8157 2.8795 2.8797 3.0300 3.0301 3.0886 3.0889 3.3132 3.3133 3.4578 3.4579 6.1272 6.1273 6.1593 6.1593 6.7309 6.7309 6.7496 6.7496 6.9618 6.9618 k = 0.7037 0.0575-0.0407 ( 26784 PWs) bands (ev): -17.3953 -17.3953 -17.3952 -17.3952 -17.2892 -17.2892 -17.2892 -17.2892 -6.8273 -6.8270 -6.7854 -6.7851 -6.2649 -6.2649 -6.2398 -6.2398 -5.9991 -5.9990 -5.8707 -5.8706 -4.9883 -4.9883 -4.9044 -4.9043 -4.7739 -4.7738 -4.6981 -4.6981 -4.5678 -4.5677 -4.4795 -4.4795 -4.4071 -4.4071 -4.3359 -4.3359 2.8162 2.8165 2.8873 2.8874 3.0303 3.0304 3.0815 3.0819 3.3112 3.3113 3.4545 3.4546 6.0983 6.0983 6.1326 6.1327 6.7520 6.7520 6.7686 6.7687 6.9505 6.9505 k = 0.6852 0.0787-0.0557 ( 26784 PWs) bands (ev): -17.3967 -17.3967 -17.3967 -17.3966 -17.2878 -17.2878 -17.2877 -17.2877 -6.8207 -6.8204 -6.7767 -6.7764 -6.2685 -6.2684 -6.2447 -6.2447 -5.9991 -5.9990 -5.8701 -5.8701 -4.9903 -4.9902 -4.9028 -4.9027 -4.7835 -4.7835 -4.7028 -4.7028 -4.5669 -4.5669 -4.4776 -4.4775 -4.4075 -4.4075 -4.3373 -4.3373 2.8161 2.8164 2.8961 2.8962 3.0304 3.0304 3.0774 3.0778 3.3085 3.3086 3.4497 3.4497 6.0706 6.0706 6.1069 6.1069 6.7686 6.7687 6.7838 6.7838 6.9388 6.9388 k = 0.6667 0.0999-0.0707 ( 26792 PWs) bands (ev): -17.3981 -17.3981 -17.3980 -17.3980 -17.2864 -17.2864 -17.2864 -17.2863 -6.8143 -6.8140 -6.7683 -6.7680 -6.2720 -6.2720 -6.2493 -6.2492 -5.9988 -5.9988 -5.8699 -5.8698 -4.9917 -4.9916 -4.9017 -4.9017 -4.7923 -4.7923 -4.7076 -4.7076 -4.5657 -4.5657 -4.4767 -4.4766 -4.4070 -4.4070 -4.3392 -4.3392 2.8154 2.8156 2.9059 2.9059 3.0292 3.0292 3.0773 3.0777 3.3052 3.3054 3.4433 3.4433 6.0444 6.0445 6.0824 6.0825 6.7793 6.7794 6.7939 6.7939 6.9285 6.9285 k = 0.6481 0.1211-0.0857 ( 26796 PWs) bands (ev): -17.3993 -17.3993 -17.3992 -17.3992 -17.2852 -17.2852 -17.2851 -17.2851 -6.8082 -6.8080 -6.7604 -6.7601 -6.2755 -6.2754 -6.2535 -6.2534 -5.9984 -5.9984 -5.8699 -5.8698 -4.9925 -4.9925 -4.9014 -4.9014 -4.7999 -4.7999 -4.7125 -4.7125 -4.5641 -4.5641 -4.4767 -4.4767 -4.4056 -4.4056 -4.3416 -4.3416 2.8140 2.8142 2.9164 2.9164 3.0265 3.0265 3.0809 3.0814 3.3015 3.3017 3.4354 3.4354 6.0202 6.0203 6.0596 6.0596 6.7831 6.7832 6.7978 6.7978 6.9219 6.9219 k = 0.6296 0.1423-0.1007 ( 26796 PWs) bands (ev): -17.4004 -17.4004 -17.4003 -17.4003 -17.2841 -17.2840 -17.2840 -17.2840 -6.8026 -6.8024 -6.7531 -6.7529 -6.2788 -6.2788 -6.2572 -6.2571 -5.9979 -5.9978 -5.8701 -5.8700 -4.9929 -4.9929 -4.9020 -4.9020 -4.8059 -4.8059 -4.7176 -4.7176 -4.5622 -4.5622 -4.4776 -4.4776 -4.4034 -4.4034 -4.3443 -4.3443 2.8122 2.8124 2.9271 2.9272 3.0233 3.0233 3.0872 3.0877 3.2979 3.2981 3.4262 3.4262 5.9982 5.9982 6.0387 6.0387 6.7807 6.7808 6.7951 6.7952 6.9200 6.9200 k = 0.6111 0.1635-0.1158 ( 26780 PWs) bands (ev): -17.4014 -17.4014 -17.4013 -17.4013 -17.2831 -17.2831 -17.2830 -17.2830 -6.7974 -6.7973 -6.7465 -6.7463 -6.2820 -6.2819 -6.2603 -6.2603 -5.9973 -5.9972 -5.8704 -5.8704 -4.9928 -4.9927 -4.9035 -4.9035 -4.8104 -4.8103 -4.7226 -4.7226 -4.5601 -4.5601 -4.4791 -4.4791 -4.4006 -4.4006 -4.3473 -4.3473 2.8102 2.8103 2.9374 2.9375 3.0207 3.0207 3.0948 3.0952 3.2948 3.2950 3.4158 3.4158 5.9786 5.9786 6.0199 6.0200 6.7739 6.7740 6.7872 6.7873 6.9223 6.9223 k = 0.5926 0.1847-0.1308 ( 26772 PWs) bands (ev): -17.4023 -17.4022 -17.4022 -17.4021 -17.2822 -17.2822 -17.2822 -17.2822 -6.7929 -6.7928 -6.7407 -6.7406 -6.2849 -6.2848 -6.2630 -6.2630 -5.9967 -5.9966 -5.8708 -5.8707 -4.9922 -4.9922 -4.9058 -4.9058 -4.8132 -4.8132 -4.7275 -4.7275 -4.5578 -4.5578 -4.4810 -4.4809 -4.3974 -4.3974 -4.3505 -4.3505 2.8081 2.8082 2.9465 2.9466 3.0195 3.0195 3.1023 3.1027 3.2926 3.2928 3.4045 3.4045 5.9617 5.9617 6.0037 6.0037 6.7651 6.7652 6.7766 6.7767 6.9271 6.9271 k = 0.5741 0.2059-0.1458 ( 26778 PWs) bands (ev): -17.4029 -17.4029 -17.4028 -17.4028 -17.2815 -17.2815 -17.2815 -17.2815 -6.7891 -6.7890 -6.7359 -6.7357 -6.2874 -6.2874 -6.2651 -6.2651 -5.9961 -5.9961 -5.8712 -5.8711 -4.9913 -4.9913 -4.9086 -4.9086 -4.8147 -4.8147 -4.7321 -4.7320 -4.5556 -4.5556 -4.4829 -4.4829 -4.3940 -4.3939 -4.3539 -4.3539 2.8062 2.8063 2.9537 2.9537 3.0202 3.0203 3.1089 3.1093 3.2920 3.2922 3.3927 3.3928 5.9476 5.9476 5.9901 5.9901 6.7561 6.7562 6.7655 6.7656 6.9326 6.9326 k = 0.5556 0.2271-0.1608 ( 26774 PWs) bands (ev): -17.4035 -17.4035 -17.4034 -17.4034 -17.2810 -17.2810 -17.2809 -17.2809 -6.7860 -6.7859 -6.7320 -6.7319 -6.2895 -6.2895 -6.2667 -6.2667 -5.9956 -5.9956 -5.8715 -5.8715 -4.9903 -4.9903 -4.9115 -4.9114 -4.8152 -4.8152 -4.7360 -4.7360 -4.5537 -4.5537 -4.4848 -4.4847 -4.3905 -4.3905 -4.3573 -4.3573 2.8045 2.8046 2.9585 2.9585 3.0228 3.0229 3.1138 3.1141 3.2931 3.2933 3.3811 3.3811 5.9365 5.9365 5.9793 5.9793 6.7483 6.7484 6.7555 6.7555 6.9379 6.9379 k = 0.5370 0.2484-0.1758 ( 26770 PWs) bands (ev): -17.4039 -17.4039 -17.4038 -17.4038 -17.2806 -17.2806 -17.2805 -17.2805 -6.7838 -6.7837 -6.7292 -6.7291 -6.2910 -6.2910 -6.2679 -6.2679 -5.9952 -5.9952 -5.8718 -5.8718 -4.9894 -4.9894 -4.9140 -4.9140 -4.8152 -4.8152 -4.7390 -4.7390 -4.5521 -4.5521 -4.4863 -4.4863 -4.3873 -4.3873 -4.3604 -4.3604 2.8033 2.8033 2.9613 2.9613 3.0263 3.0263 3.1170 3.1172 3.2958 3.2960 3.3706 3.3706 5.9284 5.9285 5.9715 5.9715 6.7426 6.7426 6.7474 6.7475 6.9423 6.9423 k = 0.5185 0.2696-0.1909 ( 26756 PWs) bands (ev): -17.4041 -17.4041 -17.4040 -17.4040 -17.2804 -17.2804 -17.2803 -17.2803 -6.7824 -6.7824 -6.7275 -6.7275 -6.2919 -6.2919 -6.2686 -6.2686 -5.9950 -5.9950 -5.8720 -5.8720 -4.9887 -4.9887 -4.9157 -4.9157 -4.8150 -4.8150 -4.7410 -4.7410 -4.5511 -4.5511 -4.4872 -4.4872 -4.3849 -4.3849 -4.3627 -4.3627 2.8025 2.8025 2.9626 2.9626 3.0292 3.0292 3.1186 3.1187 3.2988 3.2989 3.3628 3.3628 5.9236 5.9236 5.9667 5.9668 6.7393 6.7394 6.7421 6.7421 6.9456 6.9456 k = 0.5000 0.2908-0.2059 ( 26744 PWs) bands (ev): -17.4042 -17.4042 -17.4041 -17.4041 -17.2803 -17.2803 -17.2802 -17.2802 -6.7820 -6.7820 -6.7269 -6.7269 -6.2923 -6.2923 -6.2688 -6.2688 -5.9949 -5.9949 -5.8721 -5.8721 -4.9885 -4.9885 -4.9163 -4.9163 -4.8149 -4.8149 -4.7417 -4.7417 -4.5507 -4.5507 -4.4876 -4.4876 -4.3839 -4.3839 -4.3636 -4.3636 2.8022 2.8022 2.9630 2.9630 3.0303 3.0303 3.1191 3.1191 3.3003 3.3003 3.3598 3.3598 5.9220 5.9220 5.9652 5.9652 6.7385 6.7385 6.7400 6.7400 6.9475 6.9475 k = 0.5000 0.2908-0.2059 ( 26744 PWs) bands (ev): -17.4042 -17.4042 -17.4041 -17.4041 -17.2803 -17.2803 -17.2802 -17.2802 -6.7820 -6.7820 -6.7269 -6.7269 -6.2923 -6.2923 -6.2688 -6.2688 -5.9949 -5.9949 -5.8721 -5.8721 -4.9885 -4.9885 -4.9163 -4.9163 -4.8149 -4.8149 -4.7417 -4.7417 -4.5507 -4.5507 -4.4876 -4.4876 -4.3839 -4.3839 -4.3636 -4.3636 2.8022 2.8022 2.9630 2.9630 3.0303 3.0303 3.1191 3.1191 3.3003 3.3003 3.3598 3.3598 5.9220 5.9220 5.9652 5.9652 6.7385 6.7385 6.7400 6.7400 6.9475 6.9475 k = 0.4750 0.2762-0.1956 ( 26768 PWs) bands (ev): -17.4073 -17.4073 -17.4009 -17.4009 -17.2814 -17.2814 -17.2792 -17.2791 -6.7848 -6.7790 -6.7290 -6.7251 -6.2939 -6.2903 -6.2698 -6.2673 -6.0035 -5.9866 -5.8798 -5.8650 -4.9952 -4.9814 -4.9203 -4.9125 -4.8188 -4.8106 -4.7472 -4.7360 -4.5568 -4.5447 -4.4978 -4.4783 -4.3893 -4.3781 -4.3682 -4.3589 2.7997 2.8060 2.9618 2.9641 3.0252 3.0370 3.1121 3.1264 3.2970 3.3038 3.3561 3.3637 5.8556 5.8991 5.9861 6.0283 6.7009 6.7045 6.7765 6.7769 6.9333 6.9340 k = 0.4500 0.2617-0.1853 ( 26792 PWs) bands (ev): -17.4104 -17.4103 -17.3976 -17.3976 -17.2827 -17.2827 -17.2781 -17.2781 -6.7874 -6.7759 -6.7313 -6.7235 -6.2953 -6.2880 -6.2703 -6.2652 -6.0123 -5.9786 -5.8882 -5.8587 -5.0014 -4.9739 -4.9246 -4.9091 -4.8222 -4.8061 -4.7527 -4.7303 -4.5627 -4.5386 -4.5089 -4.4701 -4.3939 -4.3725 -4.3719 -4.3542 2.7985 2.8110 2.9605 2.9654 3.0219 3.0450 3.1058 3.1341 3.2938 3.3076 3.3524 3.3677 5.7875 5.8307 6.0475 6.0880 6.6664 6.6724 6.8089 6.8104 6.9293 6.9303 k = 0.4250 0.2472-0.1750 ( 26798 PWs) bands (ev): -17.4133 -17.4133 -17.3943 -17.3942 -17.2840 -17.2840 -17.2772 -17.2772 -6.7899 -6.7728 -6.7339 -6.7222 -6.2964 -6.2854 -6.2705 -6.2625 -6.0214 -5.9708 -5.8973 -5.8531 -5.0072 -4.9661 -4.9292 -4.9058 -4.8252 -4.8012 -4.7580 -4.7246 -4.5686 -4.5324 -4.5208 -4.4632 -4.3976 -4.3764 -4.3656 -4.3495 2.7986 2.8172 2.9588 2.9669 3.0206 3.0541 3.1000 3.1421 3.2907 3.3118 3.3487 3.3721 5.7181 5.7606 6.1055 6.1432 6.6364 6.6453 6.8285 6.8294 6.9449 6.9450 k = 0.4000 0.2326-0.1647 ( 26802 PWs) bands (ev): -17.4162 -17.4161 -17.3909 -17.3908 -17.2854 -17.2854 -17.2763 -17.2763 -6.7922 -6.7696 -6.7367 -6.7211 -6.2972 -6.2825 -6.2704 -6.2592 -6.0307 -5.9632 -5.9070 -5.8482 -5.0124 -4.9579 -4.9341 -4.9028 -4.8277 -4.7962 -4.7633 -4.7188 -4.5745 -4.5334 -4.5264 -4.4577 -4.4001 -4.3799 -4.3593 -4.3450 2.7998 2.8245 2.9566 2.9686 3.0215 3.0644 3.0950 3.1503 3.2876 3.3164 3.3449 3.3768 5.6477 5.6891 6.1592 6.1931 6.6118 6.6242 6.8320 6.8328 6.9560 6.9792 k = 0.3750 0.2181-0.1544 ( 26810 PWs) bands (ev): -17.4189 -17.4189 -17.3875 -17.3874 -17.2869 -17.2869 -17.2755 -17.2755 -6.7942 -6.7663 -6.7397 -6.7202 -6.2976 -6.2794 -6.2700 -6.2552 -6.0403 -5.9558 -5.9173 -5.8440 -5.0172 -4.9495 -4.9393 -4.8998 -4.8297 -4.7910 -4.7684 -4.7131 -4.5805 -4.5465 -4.5204 -4.4538 -4.4010 -4.3829 -4.3531 -4.3406 2.8022 2.8328 2.9537 2.9705 3.0245 3.0756 3.0908 3.1585 3.2844 3.3216 3.3408 3.3820 5.5768 5.6167 6.2077 6.2365 6.5938 6.6099 6.8270 6.8296 6.8971 6.9424 k = 0.3500 0.2035-0.1441 ( 26800 PWs) bands (ev): -17.4215 -17.4215 -17.3841 -17.3840 -17.2884 -17.2884 -17.2747 -17.2747 -6.7960 -6.7630 -6.7429 -6.7195 -6.2978 -6.2759 -6.2696 -6.2504 -6.0502 -5.9486 -5.9281 -5.8406 -5.0214 -4.9447 -4.9408 -4.8969 -4.8312 -4.7859 -4.7733 -4.7075 -4.5864 -4.5601 -4.5145 -4.4516 -4.4005 -4.3853 -4.3472 -4.3364 2.8057 2.8420 2.9502 2.9725 3.0294 3.0874 3.0877 3.1667 3.2810 3.3275 3.3365 3.3878 5.5059 5.5440 6.2497 6.2725 6.5831 6.6032 6.8182 6.8193 6.8420 6.8810 k = 0.3250 0.1890-0.1338 ( 26780 PWs) bands (ev): -17.4240 -17.4240 -17.3807 -17.3806 -17.2901 -17.2900 -17.2741 -17.2740 -6.7976 -6.7598 -6.7462 -6.7190 -6.2976 -6.2721 -6.2690 -6.2449 -6.0602 -5.9415 -5.9395 -5.8379 -5.0250 -4.9502 -4.9320 -4.8941 -4.8321 -4.7809 -4.7782 -4.7021 -4.5923 -4.5740 -4.5089 -4.4508 -4.3985 -4.3869 -4.3416 -4.3325 2.8100 2.8519 2.9464 2.9744 3.0361 3.0851 3.1004 3.1747 3.2773 3.3317 3.3342 3.3941 5.4353 5.4715 6.2845 6.3008 6.5802 6.6038 6.7712 6.7934 6.8283 6.8390 k = 0.3000 0.1745-0.1235 ( 26762 PWs) bands (ev): -17.4263 -17.4263 -17.3773 -17.3772 -17.2917 -17.2917 -17.2734 -17.2734 -6.7988 -6.7565 -6.7497 -6.7187 -6.2972 -6.2685 -6.2680 -6.2387 -6.0704 -5.9514 -5.9345 -5.8359 -5.0281 -4.9560 -4.9230 -4.8912 -4.8323 -4.7829 -4.7761 -4.6969 -4.5983 -4.5881 -4.5035 -4.4511 -4.3956 -4.3878 -4.3364 -4.3289 2.8152 2.8622 2.9424 2.9763 3.0442 3.0838 3.1136 3.1824 3.2732 3.3265 3.3419 3.4012 5.3658 5.3997 6.3117 6.3222 6.5848 6.6099 6.7160 6.7420 6.8274 6.8290 k = 0.2750 0.1599-0.1132 ( 26756 PWs) bands (ev): -17.4285 -17.4285 -17.3739 -17.3739 -17.2935 -17.2934 -17.2729 -17.2729 -6.7998 -6.7537 -6.7531 -6.7186 -6.2964 -6.2681 -6.2635 -6.2317 -6.0807 -5.9637 -5.9276 -5.8346 -5.0305 -4.9619 -4.9139 -4.8882 -4.8318 -4.7874 -4.7718 -4.6921 -4.6042 -4.6023 -4.4985 -4.4520 -4.3922 -4.3881 -4.3318 -4.3257 2.8211 2.8729 2.9383 2.9779 3.0537 3.0836 3.1269 3.1898 3.2687 3.3207 3.3506 3.4089 5.2977 5.3292 6.3326 6.3384 6.5953 6.6166 6.6667 6.6870 6.8290 6.8301 k = 0.2500 0.1454-0.1029 ( 26752 PWs) bands (ev): -17.4305 -17.4305 -17.3706 -17.3706 -17.2952 -17.2952 -17.2724 -17.2724 -6.8005 -6.7571 -6.7502 -6.7186 -6.2955 -6.2678 -6.2588 -6.2240 -6.0911 -5.9764 -5.9209 -5.8340 -5.0324 -4.9678 -4.9048 -4.8852 -4.8306 -4.7918 -4.7680 -4.6879 -4.6162 -4.6100 -4.4938 -4.4532 -4.3884 -4.3876 -4.3276 -4.3228 2.8275 2.8837 2.9341 2.9791 3.0642 3.0847 3.1399 3.1967 3.2638 3.3143 3.3605 3.4173 5.2317 5.2607 6.3489 6.3516 6.6001 6.6090 6.6346 6.6456 6.8334 6.8359 k = 0.2250 0.1308-0.0926 ( 26754 PWs) bands (ev): -17.4323 -17.4323 -17.3674 -17.3674 -17.2970 -17.2970 -17.2719 -17.2719 -6.8009 -6.7608 -6.7473 -6.7187 -6.2942 -6.2677 -6.2537 -6.2155 -6.1015 -5.9894 -5.9142 -5.8340 -5.0337 -4.9738 -4.8958 -4.8821 -4.8285 -4.7959 -4.7649 -4.6847 -4.6294 -4.6156 -4.4895 -4.4546 -4.3865 -4.3847 -4.3240 -4.3203 2.8342 2.8944 2.9300 2.9800 3.0757 3.0871 3.1523 3.2030 3.2586 3.3072 3.3717 3.4262 5.1686 5.1949 6.3629 6.3637 6.5592 6.5859 6.6234 6.6519 6.8412 6.8447 k = 0.2000 0.1163-0.0823 ( 26750 PWs) bands (ev): -17.4340 -17.4340 -17.3643 -17.3643 -17.2989 -17.2988 -17.2715 -17.2715 -6.8010 -6.7646 -6.7444 -6.7191 -6.2928 -6.2678 -6.2482 -6.2064 -6.1119 -6.0027 -5.9076 -5.8347 -5.0345 -4.9797 -4.8871 -4.8790 -4.8256 -4.7996 -4.7628 -4.6832 -4.6411 -4.6209 -4.4855 -4.4559 -4.3849 -4.3812 -4.3209 -4.3181 2.8412 2.9047 2.9259 2.9804 3.0880 3.0908 3.1635 3.2086 3.2530 3.2995 3.3840 3.4355 5.1090 5.1325 6.3760 6.3763 6.5189 6.5414 6.6362 6.6596 6.8520 6.8563 k = 0.1750 0.1018-0.0721 ( 26765 PWs) bands (ev): -17.4355 -17.4354 -17.3614 -17.3613 -17.3007 -17.3006 -17.2712 -17.2712 -6.8008 -6.7683 -6.7416 -6.7195 -6.2911 -6.2681 -6.2423 -6.1966 -6.1222 -6.0163 -5.9011 -5.8360 -5.0346 -4.9855 -4.8787 -4.8759 -4.8218 -4.8029 -4.7616 -4.6852 -4.6495 -4.6257 -4.4820 -4.4573 -4.3829 -4.3780 -4.3184 -4.3163 2.8483 2.9146 2.9218 2.9803 3.0957 3.1008 3.1731 3.2134 3.2474 3.2911 3.3973 3.4449 5.0537 5.0743 6.3892 6.3902 6.4824 6.5015 6.6459 6.6647 6.8655 6.8703 k = 0.1500 0.0872-0.0618 ( 26781 PWs) bands (ev): -17.4368 -17.4367 -17.3586 -17.3586 -17.3024 -17.3024 -17.2709 -17.2709 -6.8002 -6.7719 -6.7390 -6.7201 -6.2893 -6.2687 -6.2361 -6.1863 -6.1324 -6.0300 -5.8947 -5.8379 -5.0341 -4.9913 -4.8728 -4.8710 -4.8171 -4.8055 -4.7615 -4.6919 -4.6534 -4.6301 -4.4788 -4.4586 -4.3807 -4.3751 -4.3163 -4.3148 2.8552 2.9178 2.9238 2.9797 3.1020 3.1140 3.1806 3.2172 3.2421 3.2822 3.4112 3.4540 5.0035 5.0212 6.4033 6.4051 6.4510 6.4664 6.6519 6.6663 6.8810 6.8862 k = 0.1250 0.0727-0.0515 ( 26793 PWs) bands (ev): -17.4378 -17.4378 -17.3561 -17.3561 -17.3040 -17.3040 -17.2707 -17.2707 -6.7994 -6.7755 -6.7366 -6.7208 -6.2874 -6.2696 -6.2295 -6.1755 -6.1423 -6.0438 -5.8884 -5.8404 -5.0331 -4.9968 -4.8697 -4.8643 -4.8116 -4.8070 -4.7624 -4.7020 -4.6539 -4.6339 -4.4760 -4.4598 -4.3783 -4.3727 -4.3146 -4.3136 2.8620 2.9137 2.9324 2.9785 3.1093 3.1274 3.1852 3.2199 3.2378 3.2728 3.4253 3.4623 4.9592 4.9740 6.4134 6.4208 6.4295 6.4365 6.6539 6.6643 6.8979 6.9031 k = 0.1000 0.0582-0.0412 ( 26795 PWs) bands (ev): -17.4388 -17.4387 -17.3539 -17.3539 -17.3055 -17.3055 -17.2705 -17.2705 -6.7982 -6.7789 -6.7343 -6.7217 -6.2854 -6.2707 -6.2225 -6.1651 -6.1512 -6.0577 -5.8823 -5.8434 -5.0316 -5.0021 -4.8667 -4.8592 -4.8072 -4.8056 -4.7640 -4.7135 -4.6527 -4.6371 -4.4735 -4.4610 -4.3759 -4.3709 -4.3134 -4.3127 2.8686 2.9096 2.9401 2.9768 3.1175 3.1406 3.1866 3.2212 3.2353 3.2634 3.4389 3.4695 4.9218 4.9336 6.3983 6.4105 6.4381 6.4390 6.6522 6.6594 6.9151 6.9202 k = 0.0750 0.0436-0.0309 ( 26791 PWs) bands (ev): -17.4395 -17.4394 -17.3521 -17.3520 -17.3068 -17.3068 -17.2703 -17.2703 -6.7967 -6.7821 -6.7321 -6.7227 -6.2833 -6.2720 -6.2151 -6.1645 -6.1495 -6.0715 -5.8764 -5.8470 -5.0295 -5.0072 -4.8637 -4.8559 -4.8057 -4.7996 -4.7659 -4.7254 -4.6511 -4.6397 -4.4713 -4.4621 -4.3737 -4.3696 -4.3125 -4.3120 2.8748 2.9053 2.9471 2.9744 3.1265 3.1527 3.1853 3.2204 3.2348 3.2547 3.4513 3.4748 4.8920 4.9008 6.3819 6.3907 6.4541 6.4546 6.6478 6.6522 6.9315 6.9359 k = 0.0500 0.0291-0.0206 ( 26813 PWs) bands (ev): -17.4400 -17.4400 -17.3507 -17.3506 -17.3078 -17.3078 -17.2702 -17.2702 -6.7950 -6.7851 -6.7301 -6.7239 -6.2812 -6.2736 -6.2074 -6.1730 -6.1380 -6.0853 -5.8707 -5.8509 -5.0269 -5.0119 -4.8609 -4.8546 -4.8027 -4.7948 -4.7665 -4.7369 -4.6493 -4.6420 -4.4693 -4.4633 -4.3718 -4.3689 -4.3119 -4.3116 2.8807 2.9009 2.9534 2.9715 3.1358 3.1609 3.1847 3.2166 3.2357 3.2476 3.4620 3.4779 4.8705 4.8763 6.3702 6.3760 6.4684 6.4686 6.6420 6.6445 6.9454 6.9488 k = 0.0250 0.0145-0.0103 ( 26821 PWs) bands (ev): -17.4403 -17.4403 -17.3498 -17.3498 -17.3084 -17.3084 -17.2701 -17.2701 -6.7929 -6.7880 -6.7283 -6.7252 -6.2792 -6.2753 -6.1992 -6.1820 -6.1254 -6.0989 -5.8653 -5.8553 -5.0238 -5.0163 -4.8584 -4.8549 -4.7988 -4.7932 -4.7637 -4.7477 -4.6475 -4.6440 -4.4676 -4.4646 -4.3703 -4.3688 -4.3115 -4.3113 2.8863 2.8963 2.9589 2.9679 3.1452 3.1605 3.1903 3.2094 3.2374 3.2428 3.4702 3.4783 4.8579 4.8608 6.3637 6.3665 6.4785 6.4787 6.6370 6.6381 6.9551 6.9569 k = 0.0000 0.0000 0.0000 ( 26833 PWs) bands (ev): -17.4404 -17.4404 -17.3495 -17.3495 -17.3086 -17.3086 -17.2701 -17.2701 -6.7906 -6.7906 -6.7267 -6.7267 -6.2772 -6.2772 -6.1907 -6.1907 -6.1123 -6.1123 -5.8601 -5.8601 -5.0202 -5.0202 -4.8563 -4.8563 -4.7951 -4.7951 -4.7570 -4.7570 -4.6458 -4.6458 -4.4660 -4.4660 -4.3693 -4.3693 -4.3113 -4.3113 2.8914 2.8914 2.9638 2.9638 3.1538 3.1538 3.2000 3.2000 3.2396 3.2396 3.4758 3.4758 4.8546 4.8546 6.3624 6.3624 6.4823 6.4823 6.6354 6.6354 6.9592 6.9592 k = 0.0000 0.0000 0.0000 ( 26833 PWs) bands (ev): -17.4404 -17.4404 -17.3495 -17.3495 -17.3086 -17.3086 -17.2701 -17.2701 -6.7906 -6.7906 -6.7267 -6.7267 -6.2772 -6.2772 -6.1907 -6.1907 -6.1123 -6.1123 -5.8601 -5.8601 -5.0202 -5.0202 -4.8563 -4.8563 -4.7951 -4.7951 -4.7570 -4.7570 -4.6458 -4.6458 -4.4660 -4.4660 -4.3693 -4.3693 -4.3113 -4.3113 2.8914 2.8914 2.9638 2.9638 3.1538 3.1538 3.2000 3.2000 3.2396 3.2396 3.4758 3.4758 4.8546 4.8546 6.3624 6.3624 6.4823 6.4823 6.6354 6.6354 6.9592 6.9592 k = 0.0000 0.0185 0.0262 ( 26801 PWs) bands (ev): -17.4402 -17.4402 -17.3494 -17.3494 -17.3087 -17.3087 -17.2702 -17.2702 -6.7908 -6.7908 -6.7271 -6.7271 -6.2769 -6.2769 -6.1910 -6.1910 -6.1119 -6.1119 -5.8603 -5.8603 -5.0200 -5.0200 -4.8571 -4.8571 -4.7940 -4.7940 -4.7565 -4.7565 -4.6461 -4.6461 -4.4660 -4.4660 -4.3692 -4.3692 -4.3114 -4.3114 2.8915 2.8915 2.9632 2.9632 3.1535 3.1535 3.1993 3.1993 3.2402 3.2402 3.4756 3.4756 4.8593 4.8593 6.3614 6.3614 6.4815 6.4815 6.6362 6.6362 6.9611 6.9611 k = 0.0000 0.0370 0.0523 ( 26801 PWs) bands (ev): -17.4399 -17.4399 -17.3492 -17.3492 -17.3090 -17.3090 -17.2705 -17.2705 -6.7915 -6.7915 -6.7281 -6.7281 -6.2763 -6.2763 -6.1918 -6.1918 -6.1108 -6.1108 -5.8609 -5.8609 -5.0194 -5.0194 -4.8593 -4.8593 -4.7907 -4.7907 -4.7550 -4.7550 -4.6469 -4.6469 -4.4661 -4.4661 -4.3692 -4.3692 -4.3117 -4.3117 2.8916 2.8916 2.9617 2.9617 3.1523 3.1524 3.1974 3.1975 3.2417 3.2418 3.4753 3.4753 4.8733 4.8733 6.3583 6.3583 6.4791 6.4791 6.6388 6.6388 6.9669 6.9669 k = 0.0000 0.0556 0.0785 ( 26795 PWs) bands (ev): -17.4393 -17.4393 -17.3489 -17.3489 -17.3094 -17.3094 -17.2711 -17.2711 -6.7926 -6.7926 -6.7299 -6.7299 -6.2751 -6.2751 -6.1931 -6.1931 -6.1090 -6.1090 -5.8618 -5.8618 -5.0184 -5.0184 -4.8623 -4.8623 -4.7861 -4.7861 -4.7524 -4.7523 -4.6484 -4.6484 -4.4662 -4.4662 -4.3691 -4.3691 -4.3121 -4.3121 2.8916 2.8917 2.9593 2.9594 3.1504 3.1505 3.1947 3.1949 3.2440 3.2441 3.4747 3.4747 4.8964 4.8964 6.3533 6.3533 6.4750 6.4750 6.6430 6.6430 6.9763 6.9763 k = 0.0000 0.0741 0.1046 ( 26767 PWs) bands (ev): -17.4385 -17.4385 -17.3484 -17.3484 -17.3100 -17.3100 -17.2718 -17.2718 -6.7942 -6.7942 -6.7324 -6.7323 -6.2735 -6.2735 -6.1948 -6.1948 -6.1065 -6.1065 -5.8631 -5.8631 -5.0171 -5.0171 -4.8657 -4.8657 -4.7809 -4.7808 -4.7483 -4.7483 -4.6503 -4.6503 -4.4663 -4.4663 -4.3689 -4.3689 -4.3127 -4.3127 2.8915 2.8916 2.9563 2.9564 3.1477 3.1479 3.1918 3.1920 3.2469 3.2471 3.4739 3.4740 4.9281 4.9281 6.3465 6.3465 6.4692 6.4692 6.6486 6.6486 6.9892 6.9892 k = 0.0000 0.0926 0.1308 ( 26765 PWs) bands (ev): -17.4374 -17.4374 -17.3478 -17.3478 -17.3107 -17.3107 -17.2728 -17.2728 -6.7963 -6.7962 -6.7355 -6.7354 -6.2715 -6.2715 -6.1967 -6.1967 -6.1036 -6.1036 -5.8647 -5.8647 -5.0153 -5.0153 -4.8690 -4.8690 -4.7757 -4.7756 -4.7427 -4.7427 -4.6527 -4.6527 -4.4665 -4.4665 -4.3689 -4.3688 -4.3136 -4.3136 2.8909 2.8910 2.9531 2.9532 3.1442 3.1444 3.1889 3.1891 3.2503 3.2504 3.4730 3.4730 4.9679 4.9679 6.3382 6.3382 6.4618 6.4618 6.6555 6.6555 7.0053 7.0053 k = 0.0000 0.1111 0.1569 ( 26745 PWs) bands (ev): -17.4361 -17.4361 -17.3470 -17.3470 -17.3116 -17.3116 -17.2739 -17.2739 -6.7987 -6.7987 -6.7392 -6.7392 -6.2690 -6.2690 -6.1988 -6.1987 -6.1003 -6.1003 -5.8667 -5.8667 -5.0133 -5.0133 -4.8720 -4.8719 -4.7708 -4.7708 -4.7355 -4.7355 -4.6556 -4.6556 -4.4667 -4.4667 -4.3688 -4.3688 -4.3147 -4.3147 2.8896 2.8898 2.9501 2.9502 3.1401 3.1403 3.1863 3.1865 3.2539 3.2540 3.4719 3.4720 5.0153 5.0153 6.3285 6.3285 6.4531 6.4531 6.6632 6.6632 7.0241 7.0241 k = 0.0000 0.1296 0.1831 ( 26731 PWs) bands (ev): -17.4346 -17.4346 -17.3462 -17.3462 -17.3127 -17.3127 -17.2753 -17.2753 -6.8016 -6.8015 -6.7435 -6.7435 -6.2660 -6.2660 -6.2009 -6.2009 -6.0967 -6.0967 -5.8690 -5.8690 -5.0109 -5.0109 -4.8744 -4.8744 -4.7664 -4.7663 -4.7272 -4.7271 -4.6587 -4.6587 -4.4669 -4.4669 -4.3689 -4.3689 -4.3161 -4.3161 2.8875 2.8877 2.9476 2.9477 3.1355 3.1357 3.1841 3.1842 3.2579 3.2580 3.4707 3.4708 5.0695 5.0695 6.3178 6.3178 6.4433 6.4433 6.6716 6.6716 7.0452 7.0452 k = 0.0000 0.1481 0.2092 ( 26745 PWs) bands (ev): -17.4329 -17.4329 -17.3452 -17.3452 -17.3139 -17.3139 -17.2769 -17.2769 -6.8049 -6.8048 -6.7484 -6.7483 -6.2627 -6.2626 -6.2030 -6.2030 -6.0928 -6.0928 -5.8716 -5.8716 -5.0083 -5.0083 -4.8762 -4.8762 -4.7622 -4.7621 -4.7180 -4.7180 -4.6620 -4.6620 -4.4671 -4.4671 -4.3691 -4.3691 -4.3178 -4.3178 2.8845 2.8846 2.9460 2.9461 3.1307 3.1309 3.1823 3.1824 3.2621 3.2622 3.4694 3.4695 5.1298 5.1298 6.3063 6.3063 6.4330 6.4330 6.6803 6.6803 7.0682 7.0682 k = 0.0000 0.1667 0.2354 ( 26737 PWs) bands (ev): -17.4309 -17.4309 -17.3441 -17.3441 -17.3152 -17.3152 -17.2786 -17.2786 -6.8085 -6.8084 -6.7538 -6.7537 -6.2589 -6.2588 -6.2050 -6.2050 -6.0888 -6.0888 -5.8745 -5.8745 -5.0054 -5.0054 -4.8773 -4.8773 -4.7580 -4.7579 -4.7088 -4.7088 -4.6650 -4.6650 -4.4673 -4.4673 -4.3696 -4.3696 -4.3197 -4.3197 2.8806 2.8808 2.9452 2.9454 3.1260 3.1261 3.1809 3.1811 3.2665 3.2667 3.4680 3.4681 5.1955 5.1955 6.2941 6.2941 6.4229 6.4229 6.6888 6.6888 7.0926 7.0926 k = 0.0000 0.1852 0.2616 ( 26711 PWs) bands (ev): -17.4288 -17.4288 -17.3429 -17.3429 -17.3167 -17.3167 -17.2805 -17.2805 -6.8124 -6.8123 -6.7596 -6.7595 -6.2546 -6.2546 -6.2068 -6.2068 -6.0847 -6.0846 -5.8776 -5.8776 -5.0023 -5.0023 -4.8777 -4.8777 -4.7537 -4.7536 -4.7007 -4.7007 -4.6668 -4.6668 -4.4676 -4.4676 -4.3704 -4.3704 -4.3219 -4.3219 2.8763 2.8764 2.9453 2.9454 3.1214 3.1215 3.1800 3.1801 3.2712 3.2714 3.4665 3.4667 5.2658 5.2658 6.2815 6.2815 6.4134 6.4134 6.6969 6.6969 7.1178 7.1178 k = 0.0000 0.2037 0.2877 ( 26710 PWs) bands (ev): -17.4264 -17.4264 -17.3416 -17.3416 -17.3183 -17.3183 -17.2826 -17.2826 -6.8166 -6.8165 -6.7658 -6.7656 -6.2501 -6.2501 -6.2084 -6.2084 -6.0805 -6.0804 -5.8811 -5.8810 -4.9991 -4.9990 -4.8773 -4.8773 -4.7492 -4.7491 -4.6957 -4.6957 -4.6656 -4.6656 -4.4677 -4.4677 -4.3717 -4.3717 -4.3244 -4.3243 2.8718 2.8720 2.9459 2.9460 3.1172 3.1173 3.1794 3.1795 3.2761 3.2762 3.4650 3.4651 5.3400 5.3400 6.2687 6.2687 6.4051 6.4051 6.7039 6.7039 7.1432 7.1432 k = 0.0000 0.2222 0.3139 ( 26720 PWs) bands (ev): -17.4239 -17.4239 -17.3402 -17.3402 -17.3200 -17.3200 -17.2849 -17.2849 -6.8211 -6.8210 -6.7723 -6.7721 -6.2452 -6.2452 -6.2096 -6.2096 -6.0762 -6.0762 -5.8847 -5.8847 -4.9956 -4.9956 -4.8762 -4.8761 -4.7444 -4.7443 -4.6954 -4.6954 -4.6599 -4.6599 -4.4678 -4.4678 -4.3735 -4.3735 -4.3270 -4.3270 2.8677 2.8679 2.9467 2.9468 3.1135 3.1136 3.1793 3.1794 3.2810 3.2812 3.4632 3.4634 5.4172 5.4172 6.2557 6.2557 6.3986 6.3986 6.7097 6.7097 7.1665 7.1666 k = 0.0000 0.2407 0.3400 ( 26736 PWs) bands (ev): -17.4212 -17.4212 -17.3387 -17.3387 -17.3218 -17.3218 -17.2873 -17.2873 -6.8258 -6.8257 -6.7791 -6.7789 -6.2401 -6.2401 -6.2105 -6.2105 -6.0720 -6.0720 -5.8885 -5.8885 -4.9921 -4.9921 -4.8743 -4.8742 -4.7393 -4.7393 -4.6985 -4.6985 -4.6513 -4.6513 -4.4678 -4.4678 -4.3760 -4.3760 -4.3297 -4.3297 2.8643 2.8644 2.9477 2.9478 3.1103 3.1104 3.1796 3.1797 3.2860 3.2862 3.4614 3.4615 5.4965 5.4965 6.2429 6.2429 6.3943 6.3943 6.7137 6.7137 7.1665 7.1665 k = 0.0000 0.2593 0.3662 ( 26752 PWs) bands (ev): -17.4183 -17.4183 -17.3372 -17.3372 -17.3238 -17.3238 -17.2898 -17.2898 -6.8307 -6.8306 -6.7860 -6.7859 -6.2350 -6.2350 -6.2107 -6.2107 -6.0678 -6.0678 -5.8926 -5.8925 -4.9885 -4.9885 -4.8717 -4.8716 -4.7338 -4.7338 -4.7033 -4.7033 -4.6414 -4.6414 -4.4676 -4.4676 -4.3793 -4.3793 -4.3324 -4.3324 2.8617 2.8618 2.9486 2.9486 3.1076 3.1077 3.1804 3.1804 3.2910 3.2911 3.4593 3.4595 5.5770 5.5770 6.2302 6.2302 6.3925 6.3925 6.7158 6.7158 7.1435 7.1435 k = 0.0000 0.2778 0.3923 ( 26746 PWs) bands (ev): -17.4152 -17.4152 -17.3355 -17.3355 -17.3258 -17.3258 -17.2925 -17.2925 -6.8357 -6.8355 -6.7931 -6.7929 -6.2302 -6.2302 -6.2100 -6.2100 -6.0637 -6.0637 -5.8968 -5.8967 -4.9848 -4.9848 -4.8684 -4.8683 -4.7281 -4.7280 -4.7089 -4.7089 -4.6313 -4.6313 -4.4673 -4.4672 -4.3835 -4.3835 -4.3351 -4.3351 2.8603 2.8604 2.9493 2.9493 3.1054 3.1055 3.1816 3.1816 3.2958 3.2960 3.4570 3.4572 5.6576 5.6576 6.2178 6.2178 6.3935 6.3935 6.7156 6.7156 7.1221 7.1221 k = 0.0000 0.2963 0.4185 ( 26752 PWs) bands (ev): -17.4121 -17.4121 -17.3339 -17.3339 -17.3279 -17.3279 -17.2953 -17.2953 -6.8408 -6.8406 -6.8003 -6.8001 -6.2262 -6.2262 -6.2080 -6.2079 -6.0597 -6.0596 -5.9011 -5.9010 -4.9811 -4.9811 -4.8645 -4.8644 -4.7221 -4.7220 -4.7149 -4.7149 -4.6215 -4.6215 -4.4666 -4.4666 -4.3887 -4.3887 -4.3377 -4.3377 2.8600 2.8602 2.9498 2.9498 3.1036 3.1037 3.1833 3.1833 3.3005 3.3006 3.4544 3.4546 5.7372 5.7372 6.2057 6.2058 6.3973 6.3973 6.7130 6.7130 7.1048 7.1048 k = 0.0000 0.3148 0.4447 ( 26738 PWs) bands (ev): -17.4087 -17.4087 -17.3321 -17.3321 -17.3301 -17.3301 -17.2982 -17.2982 -6.8459 -6.8457 -6.8074 -6.8072 -6.2235 -6.2235 -6.2041 -6.2041 -6.0558 -6.0557 -5.9054 -5.9054 -4.9773 -4.9773 -4.8601 -4.8600 -4.7221 -4.7221 -4.7148 -4.7148 -4.6121 -4.6121 -4.4656 -4.4656 -4.3948 -4.3948 -4.3401 -4.3401 2.8610 2.8612 2.9501 2.9501 3.1023 3.1023 3.1854 3.1854 3.3048 3.3050 3.4515 3.4517 5.8144 5.8144 6.1942 6.1942 6.4039 6.4039 6.7081 6.7081 7.0922 7.0922 k = 0.0000 0.3333 0.4708 ( 26740 PWs) bands (ev): -17.4053 -17.4053 -17.3323 -17.3323 -17.3304 -17.3304 -17.3012 -17.3012 -6.8510 -6.8508 -6.8145 -6.8142 -6.2220 -6.2219 -6.1988 -6.1987 -6.0520 -6.0520 -5.9099 -5.9098 -4.9736 -4.9735 -4.8551 -4.8551 -4.7287 -4.7286 -4.7081 -4.7080 -4.6035 -4.6035 -4.4641 -4.4641 -4.4018 -4.4018 -4.3424 -4.3424 2.8632 2.8634 2.9502 2.9503 3.1012 3.1013 3.1878 3.1878 3.3088 3.3090 3.4482 3.4485 5.8881 5.8881 6.1833 6.1833 6.4134 6.4134 6.7008 6.7008 7.0845 7.0845 k = 0.0000 0.3519 0.4970 ( 26764 PWs) bands (ev): -17.4017 -17.4017 -17.3346 -17.3346 -17.3286 -17.3286 -17.3043 -17.3043 -6.8561 -6.8558 -6.8214 -6.8212 -6.2210 -6.2210 -6.1924 -6.1924 -6.0484 -6.0484 -5.9143 -5.9143 -4.9698 -4.9698 -4.8498 -4.8497 -4.7355 -4.7355 -4.7009 -4.7008 -4.5958 -4.5958 -4.4622 -4.4622 -4.4096 -4.4096 -4.3447 -4.3447 2.8666 2.8667 2.9502 2.9503 3.1004 3.1004 3.1903 3.1904 3.3123 3.3125 3.4445 3.4448 5.9566 5.9566 6.1731 6.1731 6.4255 6.4255 6.6916 6.6916 7.0815 7.0815 k = 0.0000 0.3704 0.5231 ( 26740 PWs) bands (ev): -17.3981 -17.3981 -17.3370 -17.3370 -17.3268 -17.3268 -17.3074 -17.3074 -6.8610 -6.8608 -6.8281 -6.8279 -6.2204 -6.2204 -6.1855 -6.1855 -6.0450 -6.0450 -5.9187 -5.9186 -4.9661 -4.9661 -4.8441 -4.8440 -4.7425 -4.7424 -4.6933 -4.6933 -4.5891 -4.5891 -4.4599 -4.4599 -4.4179 -4.4179 -4.3468 -4.3468 2.8708 2.8710 2.9503 2.9504 3.0997 3.0997 3.1930 3.1931 3.3153 3.3155 3.4404 3.4406 6.0188 6.0188 6.1640 6.1640 6.4399 6.4399 6.6808 6.6808 7.0818 7.0818 k = 0.0000 0.3889 0.5493 ( 26752 PWs) bands (ev): -17.3944 -17.3944 -17.3393 -17.3393 -17.3250 -17.3250 -17.3106 -17.3106 -6.8658 -6.8655 -6.8346 -6.8343 -6.2199 -6.2198 -6.1783 -6.1783 -6.0418 -6.0417 -5.9229 -5.9229 -4.9625 -4.9624 -4.8381 -4.8381 -4.7494 -4.7493 -4.6856 -4.6855 -4.5834 -4.5834 -4.4575 -4.4574 -4.4264 -4.4264 -4.3490 -4.3490 2.8757 2.8759 2.9506 2.9508 3.0992 3.0992 3.1956 3.1956 3.3178 3.3180 3.4358 3.4360 6.0733 6.0733 6.1563 6.1563 6.4560 6.4560 6.6687 6.6687 7.0833 7.0833 k = 0.0000 0.4074 0.5754 ( 26756 PWs) bands (ev): -17.3906 -17.3906 -17.3417 -17.3417 -17.3232 -17.3232 -17.3139 -17.3139 -6.8704 -6.8701 -6.8408 -6.8405 -6.2194 -6.2194 -6.1710 -6.1710 -6.0388 -6.0387 -5.9270 -5.9269 -4.9589 -4.9589 -4.8321 -4.8321 -4.7561 -4.7560 -4.6777 -4.6776 -4.5789 -4.5789 -4.4558 -4.4558 -4.4339 -4.4339 -4.3511 -4.3511 2.8809 2.8811 2.9513 2.9515 3.0987 3.0987 3.1979 3.1979 3.3197 3.3199 3.4307 3.4310 6.1178 6.1178 6.1520 6.1520 6.4732 6.4732 6.6560 6.6560 7.0831 7.0831 k = 0.0000 0.4259 0.6016 ( 26764 PWs) bands (ev): -17.3867 -17.3867 -17.3440 -17.3440 -17.3215 -17.3215 -17.3172 -17.3172 -6.8748 -6.8745 -6.8467 -6.8463 -6.2190 -6.2190 -6.1639 -6.1638 -6.0360 -6.0359 -5.9308 -5.9307 -4.9556 -4.9556 -4.8263 -4.8262 -4.7623 -4.7623 -4.6697 -4.6697 -4.5753 -4.5753 -4.4576 -4.4576 -4.4378 -4.4378 -4.3533 -4.3533 2.8860 2.8862 2.9527 2.9529 3.0981 3.0982 3.1997 3.1998 3.3211 3.3213 3.4253 3.4255 6.1363 6.1363 6.1675 6.1675 6.4905 6.4905 6.6432 6.6432 7.0791 7.0791 k = 0.0000 0.4444 0.6277 ( 26772 PWs) bands (ev): -17.3828 -17.3828 -17.3464 -17.3464 -17.3205 -17.3205 -17.3197 -17.3197 -6.8789 -6.8786 -6.8521 -6.8518 -6.2187 -6.2187 -6.1570 -6.1569 -6.0333 -6.0333 -5.9342 -5.9341 -4.9524 -4.9524 -4.8211 -4.8210 -4.7677 -4.7677 -4.6620 -4.6619 -4.5726 -4.5726 -4.4644 -4.4643 -4.4365 -4.4365 -4.3554 -4.3554 2.8905 2.8907 2.9549 2.9551 3.0976 3.0976 3.2009 3.2010 3.3221 3.3222 3.4195 3.4197 6.1354 6.1354 6.1969 6.1969 6.5066 6.5066 6.6307 6.6307 7.0707 7.0707 k = 0.0000 0.4630 0.6539 ( 26772 PWs) bands (ev): -17.3789 -17.3789 -17.3487 -17.3487 -17.3238 -17.3238 -17.3180 -17.3180 -6.8827 -6.8824 -6.8572 -6.8568 -6.2184 -6.2184 -6.1505 -6.1505 -6.0308 -6.0308 -5.9372 -5.9371 -4.9495 -4.9495 -4.8171 -4.8170 -4.7716 -4.7716 -4.6545 -4.6545 -4.5706 -4.5705 -4.4734 -4.4734 -4.4327 -4.4327 -4.3575 -4.3575 2.8938 2.8942 2.9581 2.9584 3.0969 3.0969 3.2013 3.2014 3.3227 3.3228 3.4135 3.4137 6.1341 6.1341 6.2223 6.2223 6.5201 6.5201 6.6190 6.6190 7.0589 7.0589 k = 0.0000 0.4815 0.6801 ( 26776 PWs) bands (ev): -17.3749 -17.3749 -17.3510 -17.3510 -17.3271 -17.3271 -17.3164 -17.3164 -6.8863 -6.8859 -6.8618 -6.8614 -6.2182 -6.2182 -6.1447 -6.1447 -6.0283 -6.0283 -5.9396 -5.9395 -4.9469 -4.9469 -4.8153 -4.8152 -4.7730 -4.7730 -4.6477 -4.6476 -4.5689 -4.5688 -4.4830 -4.4829 -4.4281 -4.4280 -4.3595 -4.3595 2.8959 2.8962 2.9623 2.9627 3.0960 3.0961 3.2009 3.2009 3.3231 3.3232 3.4074 3.4076 6.1347 6.1347 6.2428 6.2428 6.5291 6.5291 6.6084 6.6084 7.0451 7.0451 k = 0.0000 0.5000 0.7062 ( 26770 PWs) bands (ev): -17.3710 -17.3710 -17.3532 -17.3532 -17.3303 -17.3303 -17.3148 -17.3148 -6.8894 -6.8891 -6.8660 -6.8656 -6.2181 -6.2181 -6.1398 -6.1398 -6.0257 -6.0257 -5.9415 -5.9414 -4.9447 -4.9447 -4.8163 -4.8163 -4.7713 -4.7713 -4.6417 -4.6416 -4.5672 -4.5672 -4.4924 -4.4924 -4.4233 -4.4233 -4.3612 -4.3612 2.8964 2.8967 2.9672 2.9675 3.0951 3.0951 3.1995 3.1995 3.3234 3.3235 3.4014 3.4016 6.1377 6.1377 6.2594 6.2594 6.5320 6.5321 6.5992 6.5992 7.0304 7.0304 k = 0.0000 0.5185 0.7324 ( 26768 PWs) bands (ev): -17.3671 -17.3671 -17.3554 -17.3554 -17.3335 -17.3335 -17.3133 -17.3133 -6.8922 -6.8919 -6.8697 -6.8693 -6.2182 -6.2182 -6.1359 -6.1359 -6.0229 -6.0229 -5.9429 -5.9427 -4.9429 -4.9428 -4.8197 -4.8197 -4.7669 -4.7669 -4.6370 -4.6369 -4.5653 -4.5653 -4.5014 -4.5014 -4.4188 -4.4187 -4.3627 -4.3627 2.8955 2.8959 2.9720 2.9724 3.0941 3.0941 3.1972 3.1973 3.3238 3.3239 3.3956 3.3958 6.1432 6.1432 6.2730 6.2730 6.5280 6.5280 6.5916 6.5916 7.0153 7.0153 k = 0.0000 0.5370 0.7585 ( 26758 PWs) bands (ev): -17.3631 -17.3631 -17.3575 -17.3575 -17.3367 -17.3367 -17.3120 -17.3120 -6.8947 -6.8943 -6.8729 -6.8726 -6.2183 -6.2183 -6.1333 -6.1333 -6.0197 -6.0196 -5.9436 -5.9435 -4.9415 -4.9415 -4.8247 -4.8247 -4.7608 -4.7608 -4.6337 -4.6336 -4.5628 -4.5628 -4.5097 -4.5097 -4.4147 -4.4147 -4.3638 -4.3637 2.8934 2.8938 2.9762 2.9766 3.0933 3.0933 3.1942 3.1943 3.3243 3.3244 3.3901 3.3903 6.1515 6.1515 6.2846 6.2846 6.5168 6.5168 6.5857 6.5857 7.0003 7.0003 k = 0.0000 0.5556 0.7847 ( 26778 PWs) bands (ev): -17.3596 -17.3596 -17.3593 -17.3593 -17.3398 -17.3398 -17.3107 -17.3107 -6.8968 -6.8964 -6.8758 -6.8754 -6.2186 -6.2186 -6.1321 -6.1320 -6.0160 -6.0159 -5.9438 -5.9436 -4.9407 -4.9406 -4.8305 -4.8304 -4.7537 -4.7537 -4.6319 -4.6318 -4.5599 -4.5599 -4.5170 -4.5170 -4.4114 -4.4114 -4.3642 -4.3642 2.8903 2.8906 2.9788 2.9792 3.0929 3.0930 3.1907 3.1908 3.3249 3.3250 3.3851 3.3853 6.1626 6.1626 6.2948 6.2948 6.4997 6.4997 6.5816 6.5816 6.9853 6.9853 k = 0.0000 0.5741 0.8108 ( 26770 PWs) bands (ev): -17.3615 -17.3615 -17.3555 -17.3555 -17.3429 -17.3429 -17.3095 -17.3095 -6.8985 -6.8981 -6.8782 -6.8778 -6.2190 -6.2190 -6.1322 -6.1321 -6.0117 -6.0116 -5.9434 -5.9433 -4.9403 -4.9403 -4.8367 -4.8366 -4.7461 -4.7461 -4.6315 -4.6315 -4.5568 -4.5568 -4.5231 -4.5231 -4.4089 -4.4088 -4.3640 -4.3640 2.8862 2.8865 2.9790 2.9795 3.0933 3.0934 3.1870 3.1870 3.3258 3.3259 3.3808 3.3809 6.1766 6.1766 6.3042 6.3042 6.4783 6.4783 6.5791 6.5791 6.9705 6.9705 k = 0.0000 0.5926 0.8370 ( 26792 PWs) bands (ev): -17.3634 -17.3634 -17.3517 -17.3517 -17.3458 -17.3458 -17.3084 -17.3084 -6.8998 -6.8994 -6.8802 -6.8798 -6.2195 -6.2195 -6.1337 -6.1336 -6.0068 -6.0067 -5.9427 -5.9426 -4.9405 -4.9404 -4.8431 -4.8431 -4.7382 -4.7381 -4.6322 -4.6321 -4.5542 -4.5542 -4.5273 -4.5273 -4.4071 -4.4071 -4.3632 -4.3632 2.8812 2.8815 2.9765 2.9769 3.0948 3.0949 3.1833 3.1833 3.3269 3.3270 3.3770 3.3772 6.1933 6.1933 6.3131 6.3132 6.4545 6.4545 6.5781 6.5781 6.9555 6.9555 k = 0.0000 0.6111 0.8632 ( 26786 PWs) bands (ev): -17.3651 -17.3651 -17.3487 -17.3487 -17.3481 -17.3481 -17.3075 -17.3075 -6.9007 -6.9003 -6.8819 -6.8815 -6.2200 -6.2200 -6.1364 -6.1364 -6.0014 -6.0013 -5.9416 -5.9415 -4.9410 -4.9410 -4.8498 -4.8497 -4.7301 -4.7301 -4.6335 -4.6334 -4.5532 -4.5531 -4.5292 -4.5292 -4.4059 -4.4059 -4.3618 -4.3618 2.8757 2.8759 2.9710 2.9714 3.0975 3.0976 3.1798 3.1798 3.3281 3.3282 3.3739 3.3741 6.2127 6.2127 6.3219 6.3219 6.4300 6.4300 6.5784 6.5785 6.9404 6.9404 k = 0.0000 0.6296 0.8893 ( 26788 PWs) bands (ev): -17.3667 -17.3667 -17.3514 -17.3514 -17.3445 -17.3445 -17.3067 -17.3067 -6.9013 -6.9009 -6.8832 -6.8828 -6.2206 -6.2206 -6.1402 -6.1401 -5.9956 -5.9955 -5.9403 -5.9402 -4.9420 -4.9420 -4.8566 -4.8565 -4.7220 -4.7220 -4.6350 -4.6349 -4.5541 -4.5541 -4.5286 -4.5286 -4.4051 -4.4051 -4.3601 -4.3601 2.8695 2.8698 2.9627 2.9631 3.1013 3.1013 3.1766 3.1766 3.3295 3.3296 3.3715 3.3716 6.2343 6.2343 6.3307 6.3307 6.4062 6.4062 6.5799 6.5799 6.9253 6.9253 k = 0.0000 0.6481 0.9155 ( 26776 PWs) bands (ev): -17.3681 -17.3681 -17.3540 -17.3540 -17.3410 -17.3410 -17.3060 -17.3060 -6.9015 -6.9012 -6.8843 -6.8839 -6.2212 -6.2212 -6.1448 -6.1447 -5.9896 -5.9895 -5.9388 -5.9387 -4.9432 -4.9432 -4.8635 -4.8635 -4.7141 -4.7140 -4.6364 -4.6363 -4.5564 -4.5564 -4.5267 -4.5267 -4.4043 -4.4042 -4.3583 -4.3583 2.8630 2.8633 2.9521 2.9525 3.1058 3.1058 3.1738 3.1738 3.3311 3.3312 3.3695 3.3696 6.2579 6.2579 6.3394 6.3394 6.3840 6.3840 6.5823 6.5823 6.9103 6.9103 k = 0.0000 0.6481 0.9155 ( 26776 PWs) bands (ev): -17.3681 -17.3681 -17.3540 -17.3540 -17.3410 -17.3410 -17.3060 -17.3060 -6.9015 -6.9012 -6.8843 -6.8839 -6.2212 -6.2212 -6.1448 -6.1447 -5.9896 -5.9895 -5.9388 -5.9387 -4.9432 -4.9432 -4.8635 -4.8635 -4.7141 -4.7140 -4.6364 -4.6363 -4.5564 -4.5564 -4.5267 -4.5267 -4.4043 -4.4042 -4.3583 -4.3583 2.8630 2.8633 2.9521 2.9525 3.1058 3.1058 3.1738 3.1738 3.3311 3.3312 3.3695 3.3696 6.2579 6.2579 6.3394 6.3394 6.3840 6.3840 6.5823 6.5823 6.9103 6.9103 k = 0.0161 0.6204 0.9155 ( 26772 PWs) bands (ev): -17.3676 -17.3676 -17.3529 -17.3529 -17.3425 -17.3425 -17.3062 -17.3062 -6.9014 -6.9006 -6.8847 -6.8819 -6.2224 -6.2199 -6.1449 -6.1399 -5.9996 -5.9858 -5.9445 -5.9343 -4.9476 -4.9375 -4.8639 -4.8570 -4.7203 -4.7150 -4.6381 -4.6332 -4.5580 -4.5564 -4.5307 -4.5216 -4.4079 -4.4016 -4.3597 -4.3583 2.8626 2.8689 2.9544 2.9599 3.1004 3.1065 3.1726 3.1784 3.3257 3.3341 3.3674 3.3756 6.2448 6.2454 6.3352 6.3357 6.3970 6.3986 6.5783 6.5792 6.9196 6.9210 k = 0.0323 0.5927 0.9155 ( 26770 PWs) bands (ev): -17.3676 -17.3676 -17.3519 -17.3519 -17.3435 -17.3434 -17.3063 -17.3063 -6.9008 -6.8994 -6.8848 -6.8792 -6.2240 -6.2191 -6.1454 -6.1354 -6.0097 -5.9822 -5.9499 -5.9300 -4.9523 -4.9313 -4.8655 -4.8516 -4.7258 -4.7149 -4.6400 -4.6302 -4.5629 -4.5597 -4.5323 -4.5137 -4.4114 -4.3994 -4.3603 -4.3581 2.8604 2.8732 2.9545 2.9654 3.0956 3.1075 3.1721 3.1836 3.3206 3.3351 3.3684 3.3822 6.2317 6.2323 6.3324 6.3325 6.4154 6.4187 6.5707 6.5716 6.9339 6.9368 k = 0.0484 0.5649 0.9155 ( 26763 PWs) bands (ev): -17.3679 -17.3679 -17.3512 -17.3512 -17.3439 -17.3439 -17.3062 -17.3062 -6.8997 -6.8978 -6.8843 -6.8760 -6.2260 -6.2189 -6.1459 -6.1315 -6.0197 -5.9796 -5.9539 -5.9259 -4.9573 -4.9248 -4.8680 -4.8476 -4.7300 -4.7140 -4.6425 -4.6274 -4.5690 -4.5655 -4.5317 -4.5051 -4.4148 -4.3980 -4.3599 -4.3576 2.8565 2.8756 2.9530 2.9680 3.0927 3.1089 3.1722 3.1894 3.3162 3.3345 3.3721 3.3891 6.2194 6.2199 6.3298 6.3306 6.4378 6.4430 6.5599 6.5600 6.9528 6.9574 k = 0.0645 0.5372 0.9155 ( 26771 PWs) bands (ev): -17.3687 -17.3687 -17.3507 -17.3507 -17.3439 -17.3438 -17.3060 -17.3060 -6.8980 -6.8958 -6.8833 -6.8723 -6.2283 -6.2192 -6.1466 -6.1280 -6.0295 -5.9792 -5.9553 -5.9221 -4.9627 -4.9180 -4.8709 -4.8454 -4.7321 -4.7125 -4.6460 -4.6253 -4.5754 -4.5722 -4.5301 -4.4967 -4.4178 -4.3976 -4.3583 -4.3568 2.8510 2.8760 2.9501 2.9673 3.0926 3.1104 3.1729 3.1955 3.3126 3.3334 3.3775 3.3959 6.2086 6.2087 6.3272 6.3295 6.4633 6.4703 6.5455 6.5471 6.9759 6.9823 k = 0.0806 0.5095 0.9155 ( 26771 PWs) bands (ev): -17.3698 -17.3697 -17.3504 -17.3504 -17.3434 -17.3434 -17.3057 -17.3057 -6.8959 -6.8934 -6.8819 -6.8681 -6.2309 -6.2202 -6.1474 -6.1252 -6.0388 -5.9817 -5.9534 -5.9188 -4.9683 -4.9110 -4.8740 -4.8451 -4.7321 -4.7108 -4.6509 -4.6241 -4.5811 -4.5786 -4.5280 -4.4889 -4.4203 -4.3983 -4.3558 -4.3556 2.8443 2.8745 2.9459 2.9634 3.0955 3.1122 3.1742 3.2017 3.3097 3.3325 3.3838 3.4026 6.1988 6.1996 6.3245 6.3286 6.4908 6.4995 6.5299 6.5336 7.0025 7.0109 k = 0.0968 0.4817 0.9155 ( 26769 PWs) bands (ev): -17.3710 -17.3710 -17.3503 -17.3503 -17.3427 -17.3426 -17.3053 -17.3053 -6.8934 -6.8909 -6.8801 -6.8637 -6.2337 -6.2218 -6.1485 -6.1229 -6.0475 -5.9859 -5.9493 -5.9159 -4.9740 -4.9042 -4.8771 -4.8463 -4.7300 -4.7094 -4.6571 -4.6247 -4.5856 -4.5841 -4.5258 -4.4820 -4.4220 -4.4000 -4.3540 -4.3526 2.8368 2.8711 2.9407 2.9569 3.1009 3.1143 3.1762 3.2076 3.3074 3.3320 3.3904 3.4090 6.1906 6.1923 6.3209 6.3274 6.5094 6.5133 6.5269 6.5347 7.0321 7.0425 k = 0.1129 0.4540 0.9155 ( 26760 PWs) bands (ev): -17.3724 -17.3724 -17.3503 -17.3503 -17.3417 -17.3416 -17.3049 -17.3049 -6.8906 -6.8883 -6.8778 -6.8590 -6.2366 -6.2238 -6.1497 -6.1214 -6.0554 -5.9908 -5.9441 -5.9136 -4.9798 -4.8979 -4.8800 -4.8482 -4.7265 -4.7084 -4.6646 -4.6273 -4.5885 -4.5883 -4.5235 -4.4760 -4.4229 -4.4024 -4.3520 -4.3490 2.8287 2.8661 2.9346 2.9488 3.1079 3.1168 3.1790 3.2129 3.3055 3.3321 3.3971 3.4151 6.1838 6.1865 6.3159 6.3248 6.4945 6.5052 6.5533 6.5662 7.0630 7.0765 k = 0.1290 0.4263 0.9155 ( 26763 PWs) bands (ev): -17.3738 -17.3738 -17.3505 -17.3505 -17.3406 -17.3405 -17.3045 -17.3044 -6.8875 -6.8859 -6.8750 -6.8541 -6.2396 -6.2263 -6.1512 -6.1207 -6.0625 -5.9957 -5.9383 -5.9119 -4.9854 -4.8930 -4.8825 -4.8494 -4.7223 -4.7082 -4.6725 -4.6321 -4.5919 -4.5891 -4.5212 -4.4708 -4.4228 -4.4053 -4.3496 -4.3452 2.8207 2.8601 2.9279 2.9398 3.1158 3.1196 3.1825 3.2175 3.3038 3.3327 3.4036 3.4207 6.1783 6.1821 6.3089 6.3200 6.4812 6.4956 6.5840 6.5990 7.0619 7.0638 k = 0.1452 0.3985 0.9155 ( 26770 PWs) bands (ev): -17.3752 -17.3752 -17.3508 -17.3507 -17.3394 -17.3393 -17.3040 -17.3040 -6.8843 -6.8836 -6.8717 -6.8491 -6.2425 -6.2292 -6.1529 -6.1207 -6.0686 -6.0002 -5.9323 -5.9108 -4.9907 -4.8905 -4.8846 -4.8487 -4.7189 -4.7090 -4.6795 -4.6385 -4.5946 -4.5887 -4.5188 -4.4664 -4.4219 -4.4087 -4.3468 -4.3414 2.8130 2.8533 2.9208 2.9307 3.1228 3.1238 3.1868 3.2210 3.3023 3.3336 3.4097 3.4257 6.1737 6.1788 6.2996 6.3120 6.4717 6.4892 6.6149 6.6315 7.0447 7.0470 k = 0.1613 0.3708 0.9155 ( 26776 PWs) bands (ev): -17.3765 -17.3765 -17.3511 -17.3511 -17.3381 -17.3380 -17.3037 -17.3036 -6.8817 -6.8810 -6.8681 -6.8442 -6.2454 -6.2322 -6.1548 -6.1215 -6.0738 -6.0042 -5.9261 -5.9103 -4.9956 -4.8906 -4.8863 -4.8451 -4.7187 -4.7109 -4.6834 -4.6456 -4.5969 -4.5877 -4.5164 -4.4625 -4.4201 -4.4124 -4.3436 -4.3378 2.8059 2.8462 2.9136 2.9218 3.1263 3.1314 3.1919 3.2235 3.3009 3.3348 3.4154 3.4301 6.1699 6.1763 6.2881 6.3004 6.4670 6.4864 6.6452 6.6631 7.0305 7.0334 k = 0.1774 0.3431 0.9155 ( 26759 PWs) bands (ev): -17.3777 -17.3776 -17.3515 -17.3515 -17.3368 -17.3368 -17.3034 -17.3033 -6.8801 -6.8777 -6.8643 -6.8393 -6.2479 -6.2354 -6.1568 -6.1231 -6.0782 -6.0077 -5.9199 -5.9104 -4.9997 -4.8929 -4.8876 -4.8391 -4.7230 -4.7142 -4.6825 -4.6531 -4.5988 -4.5867 -4.5139 -4.4588 -4.4177 -4.4163 -4.3402 -4.3345 2.7999 2.8392 2.9066 2.9135 3.1301 3.1383 3.1977 3.2250 3.2994 3.3362 3.4204 3.4337 6.1664 6.1741 6.2747 6.2857 6.4668 6.4871 6.6744 6.6931 7.0193 7.0228 k = 0.1935 0.3153 0.9155 ( 26767 PWs) bands (ev): -17.3787 -17.3787 -17.3520 -17.3520 -17.3355 -17.3355 -17.3031 -17.3031 -6.8789 -6.8745 -6.8604 -6.8347 -6.2502 -6.2384 -6.1588 -6.1254 -6.0818 -6.0106 -5.9138 -5.9112 -5.0032 -4.8962 -4.8885 -4.8318 -4.7305 -4.7188 -4.6785 -4.6603 -4.6004 -4.5861 -4.5115 -4.4551 -4.4203 -4.4148 -4.3367 -4.3314 2.7950 2.8328 2.8999 2.9061 3.1340 3.1444 3.2040 3.2253 3.2978 3.3375 3.4248 3.4365 6.1631 6.1721 6.2601 6.2688 6.4707 6.4909 6.7022 6.7213 7.0110 7.0147 k = 0.2097 0.2876 0.9155 ( 26764 PWs) bands (ev): -17.3796 -17.3796 -17.3525 -17.3524 -17.3343 -17.3342 -17.3030 -17.3030 -6.8781 -6.8716 -6.8565 -6.8304 -6.2521 -6.2412 -6.1606 -6.1283 -6.0849 -6.0128 -5.9125 -5.9078 -5.0057 -4.8997 -4.8890 -4.8239 -4.7391 -4.7249 -4.6732 -4.6670 -4.6018 -4.5861 -4.5091 -4.4512 -4.4243 -4.4114 -4.3330 -4.3288 2.7915 2.8271 2.8939 2.8996 3.1380 3.1497 3.2106 3.2247 3.2961 3.3386 3.4285 3.4385 6.1598 6.1700 6.2451 6.2507 6.4775 6.4973 6.7283 6.7474 7.0049 7.0088 k = 0.2258 0.2599 0.9155 ( 26768 PWs) bands (ev): -17.3803 -17.3803 -17.3530 -17.3529 -17.3331 -17.3330 -17.3030 -17.3030 -6.8776 -6.8689 -6.8529 -6.8265 -6.2534 -6.2436 -6.1621 -6.1317 -6.0876 -6.0145 -5.9145 -5.9019 -5.0073 -4.9029 -4.8891 -4.8161 -4.7475 -4.7324 -4.6729 -4.6679 -4.6028 -4.5868 -4.5069 -4.4474 -4.4282 -4.4077 -4.3294 -4.3265 2.7895 2.8226 2.8887 2.8944 3.1420 3.1542 3.2171 3.2232 3.2944 3.3395 3.4314 3.4395 6.1562 6.1677 6.2301 6.2323 6.4867 6.5058 6.7522 6.7708 7.0005 7.0047 k = 0.2419 0.2321 0.9155 ( 26768 PWs) bands (ev): -17.3809 -17.3808 -17.3535 -17.3534 -17.3319 -17.3318 -17.3032 -17.3032 -6.8776 -6.8665 -6.8494 -6.8232 -6.2542 -6.2455 -6.1632 -6.1355 -6.0899 -6.0157 -5.9171 -5.8964 -5.0078 -4.9056 -4.8890 -4.8092 -4.7548 -4.7413 -4.6780 -4.6632 -4.6032 -4.5882 -4.5050 -4.4435 -4.4317 -4.4036 -4.3259 -4.3247 2.7892 2.8193 2.8845 2.8903 3.1459 3.1581 3.2208 3.2233 3.2929 3.3400 3.4335 3.4396 6.1523 6.1649 6.2143 6.2158 6.4977 6.5160 6.7731 6.7912 6.9969 7.0018 k = 0.2581 0.2044 0.9155 ( 26779 PWs) bands (ev): -17.3812 -17.3812 -17.3540 -17.3539 -17.3308 -17.3307 -17.3035 -17.3035 -6.8780 -6.8645 -6.8464 -6.8203 -6.2544 -6.2466 -6.1638 -6.1395 -6.0922 -6.0165 -5.9202 -5.8911 -5.0073 -4.9075 -4.8885 -4.8042 -4.7596 -4.7512 -4.6821 -4.6596 -4.6028 -4.5903 -4.5036 -4.4400 -4.4347 -4.3991 -4.3233 -4.3225 2.7905 2.8174 2.8814 2.8876 3.1495 3.1614 3.2175 3.2285 3.2917 3.3403 3.4349 3.4388 6.1481 6.1618 6.1971 6.2025 6.5100 6.5276 6.7904 6.8078 6.9933 6.9994 k = 0.2742 0.1767 0.9155 ( 26762 PWs) bands (ev): -17.3813 -17.3813 -17.3545 -17.3544 -17.3297 -17.3296 -17.3039 -17.3039 -6.8788 -6.8630 -6.8438 -6.8181 -6.2539 -6.2469 -6.1639 -6.1436 -6.0943 -6.0169 -5.9238 -5.8861 -5.0057 -4.9086 -4.8878 -4.8024 -4.7620 -4.7608 -4.6856 -4.6574 -4.6015 -4.5930 -4.5029 -4.4370 -4.4368 -4.3940 -4.3225 -4.3193 2.7936 2.8170 2.8795 2.8862 3.1528 3.1643 3.2135 3.2325 3.2913 3.3404 3.4355 3.4370 6.1435 6.1582 6.1809 6.1904 6.5233 6.5403 6.8030 6.8195 6.9885 6.9966 k = 0.2903 0.1489 0.9155 ( 26762 PWs) bands (ev): -17.3813 -17.3813 -17.3550 -17.3549 -17.3287 -17.3286 -17.3045 -17.3045 -6.8801 -6.8620 -6.8416 -6.8165 -6.2528 -6.2464 -6.1635 -6.1477 -6.0964 -6.0170 -5.9279 -5.8815 -5.0030 -4.9087 -4.8868 -4.8042 -4.7733 -4.7581 -4.6882 -4.6566 -4.5993 -4.5963 -4.5032 -4.4382 -4.4342 -4.3886 -4.3221 -4.3164 2.7985 2.8182 2.8789 2.8862 3.1555 3.1667 3.2087 3.2346 3.2919 3.3403 3.4344 3.4354 6.1384 6.1541 6.1660 6.1797 6.5374 6.5539 6.8100 6.8253 6.9825 6.9927 k = 0.3065 0.1212 0.9155 ( 26750 PWs) bands (ev): -17.3811 -17.3811 -17.3555 -17.3554 -17.3277 -17.3276 -17.3052 -17.3052 -6.8818 -6.8616 -6.8400 -6.8155 -6.2510 -6.2449 -6.1627 -6.1517 -6.0985 -6.0168 -5.9325 -5.8773 -4.9993 -4.9078 -4.8857 -4.8082 -4.7849 -4.7527 -4.6902 -4.6571 -4.5999 -4.5963 -4.5046 -4.4382 -4.4323 -4.3829 -4.3222 -4.3137 2.8050 2.8210 2.8795 2.8875 3.1576 3.1687 3.2032 3.2347 3.2939 3.3403 3.4309 3.4346 6.1328 6.1493 6.1525 6.1705 6.5521 6.5682 6.8107 6.8241 6.9763 6.9880 k = 0.3226 0.0935 0.9155 ( 26752 PWs) bands (ev): -17.3806 -17.3806 -17.3559 -17.3559 -17.3268 -17.3267 -17.3061 -17.3061 -6.8839 -6.8616 -6.8389 -6.8152 -6.2486 -6.2424 -6.1615 -6.1556 -6.1004 -6.0164 -5.9374 -5.8736 -4.9946 -4.9060 -4.8845 -4.8130 -4.7965 -4.7461 -4.6916 -4.6586 -4.6039 -4.5929 -4.5072 -4.4369 -4.4310 -4.3770 -4.3228 -4.3113 2.8132 2.8254 2.8814 2.8900 3.1587 3.1703 3.1972 3.2327 3.2973 3.3403 3.4268 3.4334 6.1264 6.1407 6.1440 6.1628 6.5672 6.5829 6.8051 6.8155 6.9719 6.9837 k = 0.3387 0.0657 0.9155 ( 26759 PWs) bands (ev): -17.3800 -17.3800 -17.3564 -17.3564 -17.3259 -17.3259 -17.3071 -17.3071 -6.8863 -6.8621 -6.8384 -6.8154 -6.2457 -6.2391 -6.1601 -6.1592 -6.1022 -6.0157 -5.9427 -5.8703 -4.9891 -4.9033 -4.8834 -4.8180 -4.8080 -4.7392 -4.6922 -4.6609 -4.6081 -4.5892 -4.5108 -4.4346 -4.4303 -4.3711 -4.3239 -4.3092 2.8229 2.8312 2.8845 2.8937 3.1586 3.1713 3.1910 3.2289 3.3017 3.3406 3.4220 3.4316 6.1188 6.1307 6.1384 6.1561 6.5824 6.5979 6.7935 6.8004 6.9704 6.9809 k = 0.3548 0.0380 0.9155 ( 26767 PWs) bands (ev): -17.3792 -17.3791 -17.3569 -17.3569 -17.3252 -17.3251 -17.3082 -17.3082 -6.8889 -6.8631 -6.8384 -6.8161 -6.2423 -6.2349 -6.1626 -6.1588 -6.1037 -6.0147 -5.9484 -5.8675 -4.9828 -4.8997 -4.8825 -4.8228 -4.8190 -4.7323 -4.6921 -4.6635 -4.6124 -4.5854 -4.5153 -4.4312 -4.4303 -4.3654 -4.3255 -4.3073 2.8339 2.8385 2.8887 2.8986 3.1567 3.1718 3.1850 3.2238 3.3068 3.3413 3.4168 3.4294 6.1103 6.1223 6.1325 6.1502 6.5974 6.6128 6.7774 6.7806 6.9717 6.9801 k = 0.3710 0.0103 0.9155 ( 26757 PWs) bands (ev): -17.3781 -17.3781 -17.3574 -17.3574 -17.3244 -17.3244 -17.3094 -17.3094 -6.8918 -6.8645 -6.8389 -6.8173 -6.2386 -6.2300 -6.1658 -6.1576 -6.1046 -6.0135 -5.9542 -5.8653 -4.9759 -4.8953 -4.8822 -4.8291 -4.8272 -4.7255 -4.6914 -4.6664 -4.6166 -4.5818 -4.5204 -4.4309 -4.4271 -4.3601 -4.3275 -4.3056 2.8460 2.8471 2.8939 2.9043 3.1527 3.1717 3.1797 3.2177 3.3123 3.3425 3.4113 3.4269 6.1013 6.1145 6.1267 6.1444 6.6117 6.6271 6.7585 6.7585 6.9747 6.9801 k = 0.3871-0.0175 0.9155 ( 26759 PWs) bands (ev): -17.3769 -17.3769 -17.3580 -17.3579 -17.3238 -17.3237 -17.3108 -17.3107 -6.8948 -6.8662 -6.8399 -6.8188 -6.2346 -6.2244 -6.1686 -6.1571 -6.1048 -6.0120 -5.9603 -5.8635 -4.9685 -4.8903 -4.8829 -4.8379 -4.8312 -4.7191 -4.6898 -4.6692 -4.6206 -4.5785 -4.5260 -4.4320 -4.4225 -4.3553 -4.3300 -4.3041 2.8567 2.8589 2.9000 2.9108 3.1466 3.1710 3.1752 3.2109 3.3180 3.3443 3.4056 3.4240 6.0923 6.1068 6.1208 6.1385 6.6245 6.6401 6.7362 6.7387 6.9618 6.9649 k = 0.4032-0.0452 0.9155 ( 26762 PWs) bands (ev): -17.3756 -17.3756 -17.3585 -17.3585 -17.3232 -17.3231 -17.3122 -17.3121 -6.8979 -6.8681 -6.8412 -6.8207 -6.2306 -6.2182 -6.1712 -6.1574 -6.1040 -6.0103 -5.9665 -5.8623 -4.9610 -4.8852 -4.8847 -4.8444 -4.8347 -4.7131 -4.6876 -4.6719 -4.6243 -4.5755 -4.5319 -4.4337 -4.4176 -4.3512 -4.3327 -4.3027 2.8671 2.8723 2.9067 2.9178 3.1391 3.1697 3.1714 3.2036 3.3237 3.3466 3.4000 3.4208 6.0833 6.0986 6.1147 6.1323 6.6348 6.6509 6.7153 6.7195 6.9369 6.9397 k = 0.4194-0.0729 0.9155 ( 26769 PWs) bands (ev): -17.3741 -17.3740 -17.3592 -17.3592 -17.3226 -17.3226 -17.3136 -17.3136 -6.9009 -6.8702 -6.8428 -6.8228 -6.2265 -6.2116 -6.1735 -6.1586 -6.1023 -6.0083 -5.9726 -5.8615 -4.9537 -4.8897 -4.8789 -4.8482 -4.8378 -4.7074 -4.6847 -4.6742 -4.6275 -4.5728 -4.5379 -4.4358 -4.4125 -4.3480 -4.3358 -4.3013 2.8781 2.8858 2.9137 2.9252 3.1310 3.1678 3.1680 3.1962 3.3293 3.3495 3.3946 3.4174 6.0742 6.0899 6.1081 6.1255 6.6414 6.6583 6.6973 6.7023 6.9192 6.9214 k = 0.4355-0.1007 0.9155 ( 26767 PWs) bands (ev): -17.3724 -17.3724 -17.3600 -17.3599 -17.3221 -17.3220 -17.3150 -17.3150 -6.9038 -6.8724 -6.8447 -6.8250 -6.2226 -6.2047 -6.1755 -6.1607 -6.0999 -6.0061 -5.9787 -5.8612 -4.9468 -4.8959 -4.8730 -4.8493 -4.8405 -4.7019 -4.6811 -4.6761 -4.6300 -4.5706 -4.5439 -4.4384 -4.4076 -4.3458 -4.3389 -4.2999 2.8891 2.8987 2.9208 2.9326 3.1232 3.1644 3.1658 3.1888 3.3347 3.3528 3.3895 3.4137 6.0647 6.0806 6.1008 6.1180 6.6433 6.6612 6.6830 6.6883 6.9098 6.9117 k = 0.4516-0.1284 0.9155 ( 26757 PWs) bands (ev): -17.3706 -17.3705 -17.3608 -17.3608 -17.3216 -17.3215 -17.3164 -17.3164 -6.9066 -6.8745 -6.8467 -6.8273 -6.2189 -6.1975 -6.1772 -6.1637 -6.0968 -6.0037 -5.9845 -5.8613 -4.9407 -4.9033 -4.8673 -4.8483 -4.8428 -4.6967 -4.6776 -4.6771 -4.6316 -4.5688 -4.5499 -4.4413 -4.4030 -4.3446 -4.3420 -4.2984 2.8998 2.9105 2.9274 2.9399 3.1165 3.1613 3.1636 3.1816 3.3397 3.3565 3.3851 3.4100 6.0547 6.0706 6.0926 6.1097 6.6410 6.6596 6.6726 6.6782 6.9092 6.9110 k = 0.4677-0.1561 0.9155 ( 26751 PWs) bands (ev): -17.3686 -17.3686 -17.3619 -17.3618 -17.3211 -17.3211 -17.3178 -17.3178 -6.9090 -6.8766 -6.8488 -6.8296 -6.2156 -6.1902 -6.1786 -6.1673 -6.0937 -6.0012 -5.9899 -5.8618 -4.9357 -4.9110 -4.8620 -4.8457 -4.8449 -4.6914 -4.6784 -4.6728 -4.6319 -4.5675 -4.5556 -4.4446 -4.3990 -4.3448 -4.3446 -4.2969 2.9095 2.9205 2.9331 2.9469 3.1115 3.1588 3.1616 3.1748 3.3439 3.3602 3.3817 3.4062 6.0441 6.0599 6.0833 6.1005 6.6367 6.6553 6.6651 6.6717 6.9164 6.9184 k = 0.4839-0.1839 0.9155 ( 26751 PWs) bands (ev): -17.3666 -17.3666 -17.3630 -17.3630 -17.3206 -17.3206 -17.3191 -17.3191 -6.9112 -6.8784 -6.8509 -6.8317 -6.2128 -6.1830 -6.1798 -6.1713 -6.0908 -5.9987 -5.9946 -5.8625 -4.9323 -4.9185 -4.8575 -4.8468 -4.8420 -4.6865 -4.6784 -4.6684 -4.6308 -4.5666 -4.5610 -4.4482 -4.3961 -4.3469 -4.3456 -4.2953 2.9175 2.9277 2.9377 2.9535 3.1090 3.1574 3.1600 3.1689 3.3469 3.3634 3.3796 3.4028 6.0327 6.0485 6.0729 6.0902 6.6330 6.6514 6.6594 6.6675 6.9292 6.9320 k = 0.5000-0.2116 0.9155 ( 26746 PWs) bands (ev): -17.3645 -17.3645 -17.3644 -17.3644 -17.3203 -17.3202 -17.3202 -17.3201 -6.9130 -6.8800 -6.8529 -6.8337 -6.2105 -6.1806 -6.1784 -6.1730 -6.0885 -5.9983 -5.9964 -5.8634 -4.9314 -4.9246 -4.8542 -4.8482 -4.8375 -4.6835 -4.6757 -4.6642 -4.6281 -4.5662 -4.5657 -4.4519 -4.3946 -4.3480 -4.3477 -4.2937 2.9229 2.9310 2.9414 2.9599 3.1090 3.1577 3.1586 3.1645 3.3482 3.3654 3.3795 3.4005 6.0207 6.0365 6.0616 6.0789 6.6311 6.6494 6.6560 6.6656 6.9403 6.9457 k = 0.5000-0.2116 0.9155 ( 26746 PWs) bands (ev): -17.3645 -17.3645 -17.3644 -17.3644 -17.3203 -17.3202 -17.3202 -17.3201 -6.9130 -6.8800 -6.8529 -6.8337 -6.2105 -6.1806 -6.1784 -6.1730 -6.0885 -5.9983 -5.9964 -5.8634 -4.9314 -4.9246 -4.8542 -4.8482 -4.8375 -4.6835 -4.6757 -4.6642 -4.6281 -4.5662 -4.5657 -4.4519 -4.3946 -4.3480 -4.3477 -4.2937 2.9229 2.9310 2.9414 2.9599 3.1090 3.1577 3.1586 3.1645 3.3482 3.3654 3.3795 3.4005 6.0207 6.0365 6.0616 6.0789 6.6311 6.6494 6.6560 6.6656 6.9403 6.9457 k = 0.5000-0.2297 0.8900 ( 26750 PWs) bands (ev): -17.3641 -17.3640 -17.3640 -17.3639 -17.3207 -17.3207 -17.3206 -17.3206 -6.9158 -6.8826 -6.8565 -6.8370 -6.2067 -6.1822 -6.1799 -6.1670 -6.0844 -6.0045 -5.9917 -5.8654 -4.9350 -4.9326 -4.8500 -4.8495 -4.8276 -4.6815 -4.6669 -4.6569 -4.6201 -4.5701 -4.5697 -4.4593 -4.3935 -4.3530 -4.3488 -4.2910 2.9306 2.9327 2.9470 2.9716 3.1121 3.1548 3.1583 3.1601 3.3488 3.3672 3.3813 3.3976 5.9977 6.0132 6.0394 6.0565 6.6300 6.6483 6.6519 6.6643 6.9440 6.9504 k = 0.5000-0.2477 0.8645 ( 26760 PWs) bands (ev): -17.3639 -17.3639 -17.3638 -17.3638 -17.3209 -17.3208 -17.3208 -17.3207 -6.9181 -6.8848 -6.8599 -6.8401 -6.2031 -6.1844 -6.1824 -6.1613 -6.0795 -6.0105 -5.9865 -5.8675 -4.9406 -4.9397 -4.8520 -4.8451 -4.8163 -4.6807 -4.6583 -4.6511 -4.6103 -4.5737 -4.5726 -4.4667 -4.3924 -4.3586 -4.3498 -4.2888 2.9334 2.9382 2.9506 2.9823 3.1164 3.1499 3.1522 3.1624 3.3491 3.3690 3.3833 3.3943 5.9769 5.9922 6.0194 6.0363 6.6293 6.6476 6.6481 6.6628 6.9447 6.9523 k = 0.5000-0.2658 0.8390 ( 26784 PWs) bands (ev): -17.3641 -17.3640 -17.3640 -17.3639 -17.3207 -17.3207 -17.3206 -17.3206 -6.9200 -6.8866 -6.8630 -6.8429 -6.1997 -6.1869 -6.1855 -6.1562 -6.0740 -6.0162 -5.9809 -5.8698 -4.9486 -4.9452 -4.8540 -4.8411 -4.8040 -4.6811 -4.6499 -4.6465 -4.5993 -4.5776 -4.5737 -4.4741 -4.3915 -4.3644 -4.3508 -4.2873 2.9332 2.9455 2.9520 2.9916 3.1219 3.1442 3.1464 3.1646 3.3492 3.3707 3.3853 3.3907 5.9585 5.9735 6.0018 6.0183 6.6289 6.6444 6.6470 6.6609 6.9434 6.9521 k = 0.5000-0.2838 0.8135 ( 26796 PWs) bands (ev): -17.3645 -17.3644 -17.3644 -17.3644 -17.3203 -17.3202 -17.3202 -17.3201 -6.9215 -6.8880 -6.8659 -6.8453 -6.1967 -6.1896 -6.1889 -6.1519 -6.0681 -6.0215 -5.9749 -5.8722 -4.9565 -4.9512 -4.8561 -4.8374 -4.7910 -4.6823 -4.6424 -4.6421 -4.5876 -4.5813 -4.5734 -4.4814 -4.3906 -4.3704 -4.3520 -4.2863 2.9317 2.9512 2.9523 2.9991 3.1286 3.1379 3.1412 3.1669 3.3493 3.3722 3.3869 3.3874 5.9427 5.9573 5.9867 6.0028 6.6283 6.6405 6.6464 6.6583 6.9411 6.9509 k = 0.5000-0.3019 0.7880 ( 26790 PWs) bands (ev): -17.3651 -17.3651 -17.3650 -17.3650 -17.3196 -17.3196 -17.3195 -17.3195 -6.9225 -6.8889 -6.8685 -6.8475 -6.1941 -6.1926 -6.1925 -6.1485 -6.0621 -6.0262 -5.9689 -5.8746 -4.9643 -4.9576 -4.8582 -4.8344 -4.7776 -4.6842 -4.6387 -4.6351 -4.5842 -4.5757 -4.5718 -4.4885 -4.3900 -4.3765 -4.3532 -4.2860 2.9292 2.9485 2.9581 3.0042 3.1313 3.1362 3.1371 3.1693 3.3494 3.3737 3.3832 3.3894 5.9295 5.9438 5.9742 5.9898 6.6271 6.6360 6.6452 6.6548 6.9393 6.9456 k = 0.5000-0.3199 0.7625 ( 26750 PWs) bands (ev): -17.3659 -17.3659 -17.3659 -17.3658 -17.3187 -17.3187 -17.3187 -17.3186 -6.9230 -6.8894 -6.8709 -6.8494 -6.1962 -6.1954 -6.1919 -6.1462 -6.0560 -6.0300 -5.9627 -5.8771 -4.9718 -4.9643 -4.8603 -4.8322 -4.7637 -4.6864 -4.6350 -4.6294 -4.5861 -4.5694 -4.5639 -4.4955 -4.3894 -4.3827 -4.3546 -4.2863 2.9254 2.9440 2.9629 3.0066 3.1249 3.1346 3.1446 3.1719 3.3496 3.3750 3.3794 3.3913 5.9189 5.9329 5.9644 5.9793 6.6250 6.6309 6.6433 6.6502 6.9389 6.9416 k = 0.5000-0.3380 0.7370 ( 26754 PWs) bands (ev): -17.3669 -17.3668 -17.3668 -17.3668 -17.3178 -17.3177 -17.3177 -17.3177 -6.9232 -6.8895 -6.8732 -6.8512 -6.1998 -6.1982 -6.1901 -6.1451 -6.0502 -6.0329 -5.9566 -5.8796 -4.9791 -4.9710 -4.8624 -4.8308 -4.7496 -4.6883 -4.6314 -4.6256 -4.5861 -4.5662 -4.5524 -4.5023 -4.3890 -4.3887 -4.3562 -4.2873 2.9206 2.9380 2.9664 3.0062 3.1191 3.1337 3.1534 3.1748 3.3500 3.3758 3.3762 3.3931 5.9110 5.9245 5.9571 5.9713 6.6218 6.6250 6.6403 6.6446 6.9396 6.9406 k = 0.5000-0.3560 0.7115 ( 26782 PWs) bands (ev): -17.3679 -17.3679 -17.3679 -17.3678 -17.3167 -17.3167 -17.3167 -17.3166 -6.9229 -6.8893 -6.8753 -6.8527 -6.2031 -6.2009 -6.1887 -6.1454 -6.0445 -6.0346 -5.9506 -5.8820 -4.9861 -4.9777 -4.8645 -4.8304 -4.7353 -4.6898 -4.6277 -4.6242 -4.5840 -4.5625 -4.5417 -4.5088 -4.3944 -4.3887 -4.3579 -4.2889 2.9149 2.9308 2.9682 3.0031 3.1145 3.1343 3.1624 3.1779 3.3506 3.3723 3.3771 3.3945 5.9055 5.9185 5.9522 5.9657 6.6176 6.6187 6.6364 6.6381 6.9397 6.9444 k = 0.5000-0.3741 0.6860 ( 26790 PWs) bands (ev): -17.3690 -17.3689 -17.3689 -17.3689 -17.3156 -17.3156 -17.3156 -17.3156 -6.9223 -6.8887 -6.8774 -6.8541 -6.2062 -6.2033 -6.1879 -6.1471 -6.0392 -6.0353 -5.9448 -5.8844 -4.9927 -4.9844 -4.8664 -4.8310 -4.7209 -4.6906 -4.6248 -4.6240 -4.5799 -4.5586 -4.5319 -4.5150 -4.3995 -4.3885 -4.3598 -4.2912 2.9085 2.9228 2.9682 2.9977 3.1113 3.1361 3.1712 3.1813 3.3515 3.3692 3.3777 3.3956 5.9022 5.9148 5.9495 5.9623 6.6122 6.6128 6.6312 6.6320 6.9414 6.9495 k = 0.5000-0.3922 0.6605 ( 26774 PWs) bands (ev): -17.3700 -17.3700 -17.3700 -17.3699 -17.3146 -17.3145 -17.3145 -17.3145 -6.9213 -6.8877 -6.8793 -6.8554 -6.2088 -6.2054 -6.1876 -6.1500 -6.0350 -6.0343 -5.9392 -5.8866 -4.9989 -4.9908 -4.8682 -4.8326 -4.7066 -4.6905 -4.6269 -4.6202 -4.5747 -4.5545 -4.5236 -4.5210 -4.4036 -4.3883 -4.3618 -4.2942 2.9016 2.9143 2.9664 2.9908 3.1098 3.1386 3.1797 3.1849 3.3527 3.3663 3.3780 3.3963 5.9011 5.9131 5.9489 5.9608 6.6060 6.6079 6.6245 6.6275 6.9436 6.9548 k = 0.5000-0.4102 0.6350 ( 26780 PWs) bands (ev): -17.3711 -17.3710 -17.3710 -17.3710 -17.3135 -17.3135 -17.3134 -17.3134 -6.9201 -6.8865 -6.8812 -6.8566 -6.2109 -6.2072 -6.1878 -6.1539 -6.0338 -6.0299 -5.9339 -5.8887 -5.0046 -4.9970 -4.8698 -4.8350 -4.6922 -4.6897 -4.6297 -4.6163 -4.5690 -4.5505 -4.5268 -4.5173 -4.4062 -4.3882 -4.3639 -4.2978 2.8944 2.9056 2.9631 2.9829 3.1099 3.1413 3.1877 3.1887 3.3542 3.3638 3.3779 3.3966 5.9018 5.9131 5.9500 5.9610 6.6006 6.6033 6.6185 6.6234 6.9450 6.9589 k = 0.5000-0.4283 0.6095 ( 26768 PWs) bands (ev): -17.3721 -17.3720 -17.3720 -17.3720 -17.3125 -17.3125 -17.3124 -17.3124 -6.9185 -6.8851 -6.8831 -6.8578 -6.2125 -6.2085 -6.1884 -6.1587 -6.0320 -6.0259 -5.9290 -5.8906 -5.0099 -5.0029 -4.8712 -4.8381 -4.6880 -4.6780 -4.6329 -4.6124 -4.5631 -4.5467 -4.5322 -4.5135 -4.4069 -4.3881 -4.3661 -4.3021 2.8872 2.8970 2.9587 2.9745 3.1114 3.1438 3.1926 3.1950 3.3561 3.3617 3.3775 3.3964 5.9039 5.9145 5.9525 5.9625 6.5964 6.5997 6.6138 6.6201 6.9444 6.9603 k = 0.5000-0.4463 0.5840 ( 26760 PWs) bands (ev): -17.3730 -17.3729 -17.3729 -17.3729 -17.3116 -17.3115 -17.3115 -17.3115 -6.9167 -6.8851 -6.8834 -6.8590 -6.2135 -6.2094 -6.1895 -6.1641 -6.0297 -6.0226 -5.9245 -5.8924 -5.0146 -5.0083 -4.8722 -4.8417 -4.6858 -4.6640 -4.6363 -4.6085 -4.5575 -4.5431 -4.5374 -4.5126 -4.4053 -4.3880 -4.3684 -4.3069 2.8803 2.8887 2.9536 2.9662 3.1140 3.1459 3.1966 3.2014 3.3583 3.3602 3.3766 3.3958 5.9071 5.9168 5.9561 5.9650 6.5937 6.5973 6.6106 6.6182 6.9409 6.9579 k = 0.5000-0.4644 0.5585 ( 26762 PWs) bands (ev): -17.3738 -17.3738 -17.3737 -17.3737 -17.3107 -17.3107 -17.3107 -17.3107 -6.9147 -6.8871 -6.8816 -6.8603 -6.2138 -6.2098 -6.1909 -6.1697 -6.0272 -6.0197 -5.9204 -5.8941 -5.0187 -5.0131 -4.8728 -4.8456 -4.6830 -4.6502 -4.6398 -4.6046 -4.5521 -4.5424 -4.5398 -4.5144 -4.4015 -4.3878 -4.3708 -4.3124 2.8739 2.8809 2.9483 2.9583 3.1174 3.1473 3.2005 3.2069 3.3591 3.3608 3.3755 3.3946 5.9111 5.9198 5.9603 5.9681 6.5926 6.5964 6.6093 6.6176 6.9342 6.9514 k = 0.5000-0.4824 0.5330 ( 26758 PWs) bands (ev): -17.3745 -17.3745 -17.3744 -17.3744 -17.3100 -17.3100 -17.3100 -17.3099 -6.9125 -6.8891 -6.8797 -6.8616 -6.2135 -6.2097 -6.1927 -6.1755 -6.0247 -6.0175 -5.9167 -5.8956 -5.0221 -5.0175 -4.8730 -4.8497 -4.6798 -4.6434 -4.6368 -4.6007 -4.5473 -4.5470 -4.5371 -4.5187 -4.3958 -4.3875 -4.3731 -4.3185 2.8681 2.8739 2.9433 2.9510 3.1212 3.1481 3.2044 3.2114 3.3587 3.3636 3.3739 3.3930 5.9155 5.9230 5.9648 5.9715 6.5932 6.5969 6.6099 6.6185 6.9247 6.9414 k = 0.5000-0.5005 0.5075 ( 26766 PWs) bands (ev): -17.3751 -17.3751 -17.3750 -17.3750 -17.3094 -17.3094 -17.3093 -17.3093 -6.9102 -6.8912 -6.8777 -6.8630 -6.2124 -6.2092 -6.1947 -6.1813 -6.0222 -6.0159 -5.9133 -5.8971 -5.0249 -5.0212 -4.8728 -4.8536 -4.6764 -4.6470 -4.6240 -4.5969 -4.5512 -4.5430 -4.5349 -4.5248 -4.3888 -4.3870 -4.3754 -4.3251 2.8633 2.8678 2.9388 2.9446 3.1254 3.1480 3.2079 3.2147 3.3587 3.3667 3.3721 3.3910 5.9198 5.9261 5.9692 5.9746 6.5951 6.5986 6.6121 6.6204 6.9138 6.9295 k = 0.5000-0.5185 0.4820 ( 26758 PWs) bands (ev): -17.3756 -17.3756 -17.3755 -17.3755 -17.3089 -17.3089 -17.3089 -17.3089 -6.9078 -6.8934 -6.8756 -6.8645 -6.2107 -6.2083 -6.1969 -6.1869 -6.0199 -6.0149 -5.9104 -5.8986 -5.0270 -5.0242 -4.8721 -4.8575 -4.6728 -4.6506 -4.6120 -4.5934 -4.5547 -4.5393 -4.5333 -4.5323 -4.3864 -4.3810 -4.3776 -4.3322 2.8594 2.8628 2.9352 2.9394 3.1295 3.1472 3.2112 3.2170 3.3593 3.3698 3.3702 3.3887 5.9238 5.9286 5.9731 5.9773 6.5980 6.6010 6.6155 6.6228 6.9030 6.9184 k = 0.5000-0.5366 0.4565 ( 26760 PWs) bands (ev): -17.3759 -17.3759 -17.3759 -17.3758 -17.3085 -17.3085 -17.3085 -17.3085 -6.9054 -6.8957 -6.8736 -6.8661 -6.2082 -6.2070 -6.1991 -6.1922 -6.0180 -6.0144 -5.9078 -5.9001 -5.0284 -5.0265 -4.8709 -4.8610 -4.6691 -4.6543 -4.6014 -4.5904 -4.5572 -4.5404 -4.5364 -4.5324 -4.3855 -4.3796 -4.3727 -4.3397 2.8568 2.8590 2.9326 2.9353 3.1336 3.1457 3.2140 3.2182 3.3605 3.3680 3.3732 3.3860 5.9271 5.9304 5.9764 5.9792 6.6011 6.6034 6.6195 6.6250 6.8943 6.9054 k = 0.5000-0.5546 0.4310 ( 26742 PWs) bands (ev): -17.3761 -17.3761 -17.3761 -17.3761 -17.3083 -17.3083 -17.3083 -17.3083 -6.9029 -6.8980 -6.8716 -6.8678 -6.2054 -6.2051 -6.2013 -6.1970 -6.0164 -6.0146 -5.9055 -5.9018 -5.0291 -5.0281 -4.8691 -4.8641 -4.6654 -4.6579 -4.5933 -4.5886 -4.5575 -4.5482 -4.5342 -4.5322 -4.3844 -4.3815 -4.3643 -4.3476 2.8554 2.8565 2.9313 2.9326 3.1373 3.1435 3.2162 3.2184 3.3620 3.3659 3.3765 3.3830 5.9296 5.9312 5.9787 5.9801 6.6037 6.6050 6.6230 6.6260 6.8895 6.8952 k = 0.5000-0.5727 0.4055 ( 26736 PWs) bands (ev): -17.3762 -17.3762 -17.3761 -17.3761 -17.3083 -17.3083 -17.3082 -17.3082 -6.9005 -6.9005 -6.8697 -6.8697 -6.2035 -6.2035 -6.2013 -6.2013 -6.0152 -6.0152 -5.9035 -5.9035 -5.0290 -5.0290 -4.8669 -4.8669 -4.6616 -4.6616 -4.5890 -4.5890 -4.5545 -4.5545 -4.5328 -4.5328 -4.3831 -4.3831 -4.3559 -4.3559 2.8553 2.8553 2.9313 2.9313 3.1406 3.1406 3.2177 3.2177 3.3638 3.3638 3.3798 3.3798 5.9309 5.9309 5.9800 5.9800 6.6051 6.6051 6.6254 6.6254 6.8897 6.8897 k = 1.0000-0.2819 0.1996 ( 26738 PWs) bands (ev): -17.3732 -17.3732 -17.3732 -17.3732 -17.3113 -17.3113 -17.3113 -17.3113 -6.8914 -6.8914 -6.8908 -6.8908 -6.2085 -6.2085 -6.2085 -6.2085 -5.9350 -5.9350 -5.9349 -5.9349 -4.9382 -4.9382 -4.9381 -4.9381 -4.6460 -4.6460 -4.6459 -4.6459 -4.5513 -4.5513 -4.5513 -4.5513 -4.3658 -4.3658 -4.3657 -4.3657 2.8252 2.8252 2.8255 2.8255 3.1526 3.1526 3.1529 3.1529 3.3554 3.3554 3.3556 3.3556 6.3223 6.3223 6.3223 6.3223 6.5657 6.5657 6.5657 6.5657 6.9347 6.9347 k = 1.0000-0.2640 0.2249 ( 26754 PWs) bands (ev): -17.3737 -17.3737 -17.3725 -17.3725 -17.3129 -17.3129 -17.3099 -17.3099 -6.8923 -6.8919 -6.8904 -6.8900 -6.2119 -6.2119 -6.2047 -6.2046 -5.9372 -5.9371 -5.9332 -5.9331 -4.9416 -4.9416 -4.9341 -4.9340 -4.6496 -4.6496 -4.6429 -4.6428 -4.5557 -4.5556 -4.5467 -4.5467 -4.3694 -4.3693 -4.3626 -4.3625 2.8220 2.8223 2.8299 2.8302 3.1503 3.1504 3.1549 3.1550 3.3536 3.3537 3.3572 3.3573 6.3151 6.3151 6.3301 6.3301 6.5504 6.5504 6.5780 6.5780 6.9129 6.9129 k = 1.0000-0.2460 0.2503 ( 26770 PWs) bands (ev): -17.3741 -17.3741 -17.3717 -17.3717 -17.3146 -17.3146 -17.3086 -17.3086 -6.8933 -6.8930 -6.8896 -6.8893 -6.2148 -6.2148 -6.2003 -6.2003 -5.9400 -5.9399 -5.9319 -5.9318 -4.9444 -4.9444 -4.9293 -4.9293 -4.6537 -4.6536 -4.6403 -4.6403 -4.5596 -4.5596 -4.5420 -4.5420 -4.3733 -4.3732 -4.3598 -4.3597 2.8204 2.8207 2.8362 2.8364 3.1476 3.1477 3.1568 3.1570 3.3516 3.3517 3.3587 3.3589 6.3090 6.3090 6.3379 6.3379 6.5320 6.5320 6.5871 6.5871 6.8940 6.8940 k = 1.0000-0.2281 0.2756 ( 26782 PWs) bands (ev): -17.3742 -17.3742 -17.3706 -17.3706 -17.3166 -17.3166 -17.3076 -17.3076 -6.8945 -6.8941 -6.8889 -6.8886 -6.2172 -6.2171 -6.1955 -6.1955 -5.9432 -5.9432 -5.9312 -5.9311 -4.9465 -4.9465 -4.9240 -4.9240 -4.6582 -4.6581 -4.6384 -4.6384 -4.5628 -4.5628 -4.5375 -4.5375 -4.3774 -4.3773 -4.3574 -4.3574 2.8203 2.8205 2.8439 2.8442 3.1446 3.1447 3.1586 3.1588 3.3495 3.3496 3.3601 3.3603 6.3046 6.3046 6.3450 6.3450 6.5108 6.5108 6.5935 6.5935 6.8787 6.8787 k = 1.0000-0.2101 0.3010 ( 26802 PWs) bands (ev): -17.3742 -17.3742 -17.3694 -17.3694 -17.3187 -17.3187 -17.3067 -17.3067 -6.8956 -6.8953 -6.8884 -6.8880 -6.2190 -6.2190 -6.1904 -6.1903 -5.9470 -5.9469 -5.9308 -5.9307 -4.9480 -4.9479 -4.9182 -4.9182 -4.6630 -4.6629 -4.6373 -4.6373 -4.5653 -4.5652 -4.5333 -4.5333 -4.3816 -4.3816 -4.3556 -4.3556 2.8215 2.8218 2.8531 2.8534 3.1413 3.1414 3.1602 3.1604 3.3473 3.3474 3.3614 3.3615 6.3022 6.3022 6.3508 6.3508 6.4873 6.4873 6.5973 6.5973 6.8672 6.8673 k = 1.0000-0.1922 0.3263 ( 26804 PWs) bands (ev): -17.3740 -17.3740 -17.3680 -17.3680 -17.3209 -17.3209 -17.3060 -17.3060 -6.8968 -6.8964 -6.8879 -6.8875 -6.2205 -6.2204 -6.1849 -6.1848 -5.9512 -5.9511 -5.9309 -5.9308 -4.9488 -4.9488 -4.9120 -4.9119 -4.6682 -4.6681 -4.6368 -4.6368 -4.5668 -4.5667 -4.5295 -4.5295 -4.3858 -4.3858 -4.3543 -4.3543 2.8240 2.8243 2.8635 2.8638 3.1377 3.1378 3.1617 3.1618 3.3451 3.3452 3.3625 3.3626 6.3021 6.3021 6.3546 6.3546 6.4620 6.4620 6.5989 6.5989 6.8601 6.8601 k = 1.0000-0.1743 0.3517 ( 26808 PWs) bands (ev): -17.3736 -17.3736 -17.3665 -17.3665 -17.3234 -17.3234 -17.3055 -17.3055 -6.8979 -6.8975 -6.8875 -6.8871 -6.2214 -6.2214 -6.1791 -6.1791 -5.9558 -5.9558 -5.9313 -5.9312 -4.9491 -4.9490 -4.9054 -4.9053 -4.6737 -4.6736 -4.6368 -4.6368 -4.5673 -4.5672 -4.5265 -4.5264 -4.3898 -4.3898 -4.3535 -4.3535 2.8277 2.8279 2.8751 2.8754 3.1338 3.1339 3.1631 3.1633 3.3429 3.3430 3.3634 3.3635 6.3046 6.3046 6.3560 6.3560 6.4357 6.4357 6.5988 6.5988 6.8572 6.8572 k = 1.0000-0.1563 0.3770 ( 26794 PWs) bands (ev): -17.3731 -17.3731 -17.3648 -17.3648 -17.3260 -17.3260 -17.3052 -17.3052 -6.8989 -6.8986 -6.8871 -6.8867 -6.2221 -6.2220 -6.1732 -6.1731 -5.9609 -5.9608 -5.9321 -5.9320 -4.9488 -4.9488 -4.8985 -4.8985 -4.6795 -4.6795 -4.6372 -4.6372 -4.5669 -4.5669 -4.5242 -4.5242 -4.3936 -4.3935 -4.3532 -4.3532 2.8323 2.8325 2.8876 2.8879 3.1296 3.1297 3.1645 3.1647 3.3407 3.3408 3.3643 3.3644 6.3097 6.3097 6.3542 6.3543 6.4096 6.4096 6.5973 6.5973 6.8586 6.8586 k = 1.0000-0.1384 0.4024 ( 26790 PWs) bands (ev): -17.3724 -17.3724 -17.3629 -17.3629 -17.3287 -17.3287 -17.3050 -17.3050 -6.8998 -6.8995 -6.8867 -6.8863 -6.2223 -6.2223 -6.1672 -6.1671 -5.9662 -5.9662 -5.9331 -5.9330 -4.9481 -4.9481 -4.8915 -4.8915 -4.6858 -4.6857 -4.6377 -4.6376 -4.5658 -4.5657 -4.5228 -4.5228 -4.3968 -4.3968 -4.3535 -4.3535 2.8377 2.8379 2.9007 2.9010 3.1251 3.1251 3.1660 3.1661 3.3385 3.3387 3.3651 3.3652 6.3168 6.3168 6.3483 6.3483 6.3861 6.3861 6.5948 6.5948 6.8639 6.8639 k = 1.0000-0.1204 0.4277 ( 26778 PWs) bands (ev): -17.3716 -17.3716 -17.3609 -17.3609 -17.3316 -17.3316 -17.3050 -17.3050 -6.9006 -6.9002 -6.8862 -6.8859 -6.2223 -6.2223 -6.1612 -6.1612 -5.9719 -5.9718 -5.9344 -5.9343 -4.9471 -4.9471 -4.8844 -4.8844 -4.6924 -4.6923 -4.6379 -4.6379 -4.5639 -4.5639 -4.5225 -4.5225 -4.3996 -4.3995 -4.3542 -4.3541 2.8436 2.8439 2.9141 2.9144 3.1203 3.1204 3.1676 3.1677 3.3365 3.3366 3.3659 3.3660 6.3206 6.3206 6.3407 6.3407 6.3687 6.3687 6.5917 6.5918 6.8724 6.8724 k = 1.0000-0.1025 0.4530 ( 26770 PWs) bands (ev): -17.3706 -17.3706 -17.3588 -17.3588 -17.3346 -17.3346 -17.3052 -17.3052 -6.9011 -6.9008 -6.8857 -6.8854 -6.2221 -6.2221 -6.1554 -6.1553 -5.9777 -5.9776 -5.9358 -5.9357 -4.9459 -4.9459 -4.8774 -4.8773 -4.6993 -4.6993 -4.6379 -4.6378 -4.5617 -4.5616 -4.5231 -4.5231 -4.4017 -4.4016 -4.3553 -4.3552 2.8500 2.8502 2.9275 2.9278 3.1155 3.1155 3.1694 3.1695 3.3346 3.3347 3.3669 3.3670 6.3051 6.3051 6.3478 6.3479 6.3579 6.3579 6.5884 6.5885 6.8835 6.8835 k = 1.0000-0.0845 0.4784 ( 26766 PWs) bands (ev): -17.3694 -17.3694 -17.3565 -17.3565 -17.3377 -17.3377 -17.3055 -17.3055 -6.9015 -6.9011 -6.8851 -6.8847 -6.2217 -6.2217 -6.1499 -6.1498 -5.9837 -5.9836 -5.9373 -5.9372 -4.9445 -4.9445 -4.8704 -4.8703 -4.7066 -4.7065 -4.6373 -4.6373 -4.5591 -4.5590 -4.5246 -4.5246 -4.4032 -4.4032 -4.3567 -4.3567 2.8565 2.8568 2.9403 2.9407 3.1105 3.1105 3.1714 3.1715 3.3328 3.3329 3.3681 3.3682 6.2818 6.2818 6.3476 6.3476 6.3650 6.3650 6.5852 6.5852 6.8963 6.8963 k = 1.0000-0.0666 0.5037 ( 26776 PWs) bands (ev): -17.3681 -17.3681 -17.3540 -17.3540 -17.3410 -17.3410 -17.3060 -17.3060 -6.9015 -6.9012 -6.8843 -6.8839 -6.2212 -6.2212 -6.1448 -6.1447 -5.9896 -5.9895 -5.9388 -5.9387 -4.9432 -4.9432 -4.8635 -4.8635 -4.7141 -4.7140 -4.6364 -4.6363 -4.5564 -4.5564 -4.5267 -4.5267 -4.4043 -4.4042 -4.3583 -4.3583 2.8630 2.8633 2.9521 2.9525 3.1058 3.1058 3.1738 3.1738 3.3311 3.3312 3.3695 3.3696 6.2579 6.2579 6.3394 6.3394 6.3840 6.3840 6.5823 6.5823 6.9103 6.9103 k = 0.0000 0.6481 0.9155 ( 26776 PWs) bands (ev): -17.3681 -17.3681 -17.3540 -17.3540 -17.3410 -17.3410 -17.3060 -17.3060 -6.9015 -6.9012 -6.8843 -6.8839 -6.2212 -6.2212 -6.1448 -6.1447 -5.9896 -5.9895 -5.9388 -5.9387 -4.9432 -4.9432 -4.8635 -4.8635 -4.7141 -4.7140 -4.6364 -4.6363 -4.5564 -4.5564 -4.5267 -4.5267 -4.4043 -4.4042 -4.3583 -4.3583 2.8630 2.8633 2.9521 2.9525 3.1058 3.1058 3.1738 3.1738 3.3311 3.3312 3.3695 3.3696 6.2579 6.2579 6.3394 6.3394 6.3840 6.3840 6.5823 6.5823 6.9103 6.9103 k = 0.0238 0.6551 0.8959 ( 26774 PWs) bands (ev): -17.3676 -17.3676 -17.3533 -17.3533 -17.3421 -17.3421 -17.3063 -17.3063 -6.9035 -6.8990 -6.8845 -6.8828 -6.2212 -6.2205 -6.1457 -6.1404 -5.9933 -5.9910 -5.9435 -5.9348 -4.9434 -4.9425 -4.8625 -4.8591 -4.7179 -4.7162 -4.6372 -4.6343 -4.5605 -4.5505 -4.5289 -4.5259 -4.4074 -4.4018 -4.3625 -4.3552 2.8656 2.8666 2.9530 2.9598 3.1021 3.1061 3.1720 3.1781 3.3293 3.3316 3.3677 3.3735 6.2414 6.2527 6.3304 6.3424 6.3897 6.3936 6.5766 6.5788 6.9154 6.9155 k = 0.0476 0.6620 0.8763 ( 26772 PWs) bands (ev): -17.3671 -17.3671 -17.3529 -17.3529 -17.3427 -17.3426 -17.3066 -17.3066 -6.9055 -6.8966 -6.8848 -6.8814 -6.2209 -6.2196 -6.1470 -6.1366 -5.9973 -5.9933 -5.9480 -5.9304 -4.9439 -4.9422 -4.8616 -4.8545 -4.7217 -4.7186 -4.6376 -4.6322 -4.5646 -4.5452 -4.5311 -4.5247 -4.4109 -4.3989 -4.3660 -4.3519 2.8690 2.8709 2.9531 2.9668 3.0988 3.1062 3.1712 3.1823 3.3271 3.3317 3.3667 3.3779 6.2241 6.2432 6.3233 6.3434 6.3941 6.4021 6.5653 6.5693 6.9193 6.9195 k = 0.0714 0.6689 0.8566 ( 26767 PWs) bands (ev): -17.3666 -17.3666 -17.3531 -17.3531 -17.3426 -17.3426 -17.3070 -17.3070 -6.9074 -6.8941 -6.8851 -6.8797 -6.2204 -6.2184 -6.1484 -6.1336 -6.0013 -5.9967 -5.9521 -5.9258 -4.9445 -4.9421 -4.8610 -4.8501 -4.7251 -4.7213 -4.6377 -4.6302 -4.5686 -4.5420 -4.5316 -4.5231 -4.4147 -4.3957 -4.3688 -4.3484 2.8733 2.8759 2.9527 2.9732 3.0960 3.1060 3.1716 3.1862 3.3247 3.3319 3.3670 3.3825 6.2064 6.2304 6.3173 6.3426 6.3949 6.4075 6.5525 6.5571 6.9215 6.9219 k = 0.0952 0.6758 0.8370 ( 26764 PWs) bands (ev): -17.3660 -17.3660 -17.3539 -17.3538 -17.3420 -17.3419 -17.3074 -17.3074 -6.9092 -6.8916 -6.8854 -6.8777 -6.2197 -6.2169 -6.1500 -6.1313 -6.0050 -6.0011 -5.9557 -5.9210 -4.9451 -4.9423 -4.8607 -4.8460 -4.7281 -4.7244 -4.6376 -4.6286 -4.5723 -4.5431 -4.5288 -4.5209 -4.4187 -4.3923 -4.3708 -4.3447 2.8783 2.8815 2.9518 2.9787 3.0939 3.1054 3.1731 3.1896 3.3219 3.3321 3.3686 3.3872 6.1883 6.2149 6.3126 6.3409 6.3886 6.4058 6.5435 6.5479 6.9217 6.9224 k = 0.1190 0.6827 0.8174 ( 26755 PWs) bands (ev): -17.3655 -17.3655 -17.3549 -17.3548 -17.3409 -17.3409 -17.3079 -17.3079 -6.9108 -6.8890 -6.8856 -6.8755 -6.2188 -6.2152 -6.1517 -6.1298 -6.0084 -6.0064 -5.9588 -5.9162 -4.9456 -4.9424 -4.8609 -4.8426 -4.7303 -4.7279 -4.6373 -4.6275 -4.5754 -4.5464 -4.5248 -4.5182 -4.4225 -4.3887 -4.3721 -4.3408 2.8839 2.8875 2.9506 2.9834 3.0925 3.1044 3.1754 3.1923 3.3188 3.3325 3.3714 3.3920 6.1697 6.1971 6.3096 6.3392 6.3725 6.3932 6.5428 6.5475 6.9196 6.9209 k = 0.1429 0.6896 0.7978 ( 26747 PWs) bands (ev): -17.3650 -17.3650 -17.3560 -17.3560 -17.3397 -17.3397 -17.3085 -17.3085 -6.9122 -6.8864 -6.8857 -6.8731 -6.2177 -6.2134 -6.1535 -6.1291 -6.0125 -6.0114 -5.9616 -5.9113 -4.9458 -4.9426 -4.8614 -4.8399 -4.7320 -4.7317 -4.6368 -4.6271 -4.5780 -4.5507 -4.5213 -4.5149 -4.4258 -4.3850 -4.3726 -4.3368 2.8900 2.8937 2.9494 2.9870 3.0918 3.1031 3.1782 3.1943 3.3158 3.3329 3.3754 3.3966 6.1505 6.1774 6.3087 6.3385 6.3480 6.3699 6.5512 6.5573 6.9153 6.9174 k = 0.1667 0.6965 0.7782 ( 26773 PWs) bands (ev): -17.3645 -17.3645 -17.3573 -17.3572 -17.3383 -17.3383 -17.3092 -17.3092 -6.9135 -6.8859 -6.8837 -6.8705 -6.2164 -6.2113 -6.1553 -6.1294 -6.0191 -6.0138 -5.9641 -5.9065 -4.9458 -4.9427 -4.8621 -4.8380 -4.7366 -4.7321 -4.6361 -4.6275 -4.5798 -4.5555 -4.5191 -4.5111 -4.4282 -4.3813 -4.3726 -4.3326 2.8962 2.8998 2.9484 2.9897 3.0919 3.1020 3.1812 3.1953 3.3129 3.3335 3.3802 3.4009 6.1310 6.1567 6.3057 6.3223 6.3360 6.3433 6.5668 6.5749 6.9094 6.9125 k = 0.1905 0.7034 0.7586 ( 26766 PWs) bands (ev): -17.3641 -17.3641 -17.3584 -17.3584 -17.3369 -17.3368 -17.3099 -17.3099 -6.9146 -6.8860 -6.8811 -6.8676 -6.2150 -6.2092 -6.1571 -6.1304 -6.0261 -6.0157 -5.9665 -5.9018 -4.9456 -4.9427 -4.8630 -4.8370 -4.7419 -4.7315 -4.6355 -4.6286 -4.5810 -4.5606 -4.5188 -4.5069 -4.4292 -4.3777 -4.3720 -4.3283 2.9026 2.9053 2.9477 2.9916 3.0926 3.1011 3.1839 3.1954 3.3104 3.3341 3.3855 3.4049 6.1115 6.1355 6.2794 6.3046 6.3203 6.3446 6.5872 6.5976 6.9023 6.9066 k = 0.2143 0.7103 0.7390 ( 26749 PWs) bands (ev): -17.3636 -17.3636 -17.3596 -17.3596 -17.3354 -17.3353 -17.3107 -17.3107 -6.9155 -6.8860 -6.8786 -6.8647 -6.2136 -6.2070 -6.1589 -6.1322 -6.0333 -6.0169 -5.9688 -5.8972 -4.9451 -4.9425 -4.8639 -4.8368 -4.7478 -4.7299 -4.6348 -4.6305 -4.5815 -4.5660 -4.5204 -4.5022 -4.4287 -4.3741 -4.3710 -4.3238 2.9087 2.9100 2.9477 2.9928 3.0940 3.1008 3.1863 3.1944 3.3087 3.3347 3.3909 3.4084 6.0923 6.1146 6.2459 6.2699 6.3279 6.3513 6.6107 6.6233 6.8948 6.9004 k = 0.2381 0.7172 0.7194 ( 26749 PWs) bands (ev): -17.3632 -17.3632 -17.3607 -17.3606 -17.3339 -17.3339 -17.3115 -17.3115 -6.9163 -6.8859 -6.8761 -6.8616 -6.2122 -6.2048 -6.1607 -6.1347 -6.0404 -6.0175 -5.9711 -5.8927 -4.9444 -4.9422 -4.8647 -4.8373 -4.7543 -4.7274 -4.6344 -4.6331 -4.5815 -4.5714 -4.5239 -4.4973 -4.4267 -4.3707 -4.3697 -4.3194 2.9134 2.9146 2.9484 2.9933 3.0958 3.1014 3.1881 3.1924 3.3078 3.3354 3.3962 3.4112 6.0741 6.0947 6.2127 6.2358 6.3391 6.3613 6.6359 6.6506 6.8878 6.8946 k = 0.2619 0.7241 0.6998 ( 26753 PWs) bands (ev): -17.3629 -17.3629 -17.3616 -17.3616 -17.3324 -17.3324 -17.3124 -17.3124 -6.9168 -6.8858 -6.8736 -6.8584 -6.2109 -6.2026 -6.1624 -6.1377 -6.0473 -6.0175 -5.9735 -5.8885 -4.9435 -4.9418 -4.8652 -4.8383 -4.7612 -4.7241 -4.6361 -4.6342 -4.5810 -4.5770 -4.5290 -4.4923 -4.4235 -4.3682 -4.3675 -4.3150 2.9157 2.9199 2.9496 2.9934 3.0981 3.1030 3.1890 3.1894 3.3080 3.3361 3.4010 3.4133 6.0573 6.0764 6.1813 6.2034 6.3536 6.3744 6.6615 6.6782 6.8819 6.8898 k = 0.2857 0.7310 0.6802 ( 26751 PWs) bands (ev): -17.3626 -17.3626 -17.3625 -17.3624 -17.3309 -17.3309 -17.3133 -17.3133 -6.9172 -6.8856 -6.8712 -6.8553 -6.2097 -6.2004 -6.1640 -6.1412 -6.0540 -6.0170 -5.9759 -5.8845 -4.9424 -4.9412 -4.8655 -4.8396 -4.7686 -4.7202 -4.6396 -4.6344 -4.5824 -4.5802 -4.5352 -4.4873 -4.4195 -4.3664 -4.3644 -4.3108 2.9171 2.9247 2.9508 2.9929 3.1007 3.1057 3.1853 3.1893 3.3095 3.3370 3.4049 3.4143 6.0422 6.0600 6.1525 6.1736 6.3713 6.3909 6.6861 6.7045 6.8777 6.8867 k = 0.3095 0.7379 0.6606 ( 26752 PWs) bands (ev): -17.3632 -17.3632 -17.3624 -17.3623 -17.3295 -17.3295 -17.3142 -17.3142 -6.9174 -6.8853 -6.8688 -6.8522 -6.2087 -6.1982 -6.1656 -6.1449 -6.0602 -6.0160 -5.9783 -5.8808 -4.9412 -4.9403 -4.8653 -4.8411 -4.7764 -4.7157 -4.6434 -4.6352 -4.5877 -4.5790 -4.5419 -4.4824 -4.4151 -4.3646 -4.3615 -4.3068 2.9178 2.9289 2.9517 2.9919 3.1034 3.1095 3.1807 3.1887 3.3121 3.3382 3.4078 3.4143 6.0293 6.0460 6.1269 6.1470 6.3920 6.4107 6.7080 6.7279 6.8758 6.8855 k = 0.3333 0.7448 0.6410 ( 26760 PWs) bands (ev): -17.3638 -17.3638 -17.3622 -17.3622 -17.3281 -17.3281 -17.3152 -17.3151 -6.9174 -6.8850 -6.8665 -6.8492 -6.2078 -6.1960 -6.1672 -6.1489 -6.0659 -6.0145 -5.9807 -5.8774 -4.9400 -4.9393 -4.8647 -4.8427 -4.7844 -4.7110 -4.6474 -4.6367 -4.5929 -4.5777 -4.5487 -4.4776 -4.4106 -4.3626 -4.3588 -4.3032 2.9184 2.9325 2.9518 2.9903 3.1060 3.1143 3.1757 3.1872 3.3160 3.3399 3.4094 3.4130 6.0187 6.0346 6.1048 6.1239 6.4156 6.4336 6.7253 6.7464 6.8764 6.8866 k = 0.3571 0.7517 0.6214 ( 26762 PWs) bands (ev): -17.3643 -17.3643 -17.3621 -17.3621 -17.3268 -17.3268 -17.3161 -17.3161 -6.9173 -6.8846 -6.8642 -6.8464 -6.2073 -6.1939 -6.1688 -6.1529 -6.0709 -6.0127 -5.9832 -5.8744 -4.9388 -4.9380 -4.8635 -4.8443 -4.7925 -4.7059 -4.6516 -4.6391 -4.5979 -4.5761 -4.5550 -4.4731 -4.4064 -4.3606 -4.3564 -4.3000 2.9189 2.9355 2.9509 2.9880 3.1083 3.1200 3.1709 3.1848 3.3208 3.3422 3.4098 3.4105 6.0108 6.0260 6.0864 6.1046 6.4422 6.4597 6.7363 6.7581 6.8798 6.8900 k = 0.3810 0.7586 0.6018 ( 26774 PWs) bands (ev): -17.3647 -17.3647 -17.3622 -17.3622 -17.3255 -17.3255 -17.3170 -17.3169 -6.9170 -6.8840 -6.8620 -6.8437 -6.2070 -6.1917 -6.1705 -6.1568 -6.0754 -6.0106 -5.9856 -5.8716 -4.9375 -4.9365 -4.8618 -4.8459 -4.8008 -4.7008 -4.6558 -4.6424 -4.6031 -4.5744 -4.5603 -4.4689 -4.4026 -4.3585 -4.3542 -4.2973 2.9196 2.9381 2.9490 2.9850 3.1101 3.1262 3.1667 3.1817 3.3264 3.3452 3.4067 3.4090 6.0055 6.0204 6.0720 6.0895 6.4714 6.4886 6.7393 6.7615 6.8859 6.8959 k = 0.4048 0.7655 0.5822 ( 26768 PWs) bands (ev): -17.3649 -17.3649 -17.3623 -17.3623 -17.3243 -17.3243 -17.3178 -17.3178 -6.9165 -6.8834 -6.8599 -6.8412 -6.2070 -6.1895 -6.1722 -6.1606 -6.0791 -6.0083 -5.9880 -5.8693 -4.9362 -4.9347 -4.8595 -4.8475 -4.8090 -4.6957 -4.6601 -4.6464 -4.6085 -4.5726 -4.5643 -4.4650 -4.3994 -4.3563 -4.3523 -4.2951 2.9205 2.9401 2.9462 2.9812 3.1112 3.1328 3.1636 3.1778 3.3324 3.3490 3.4018 3.4072 6.0031 6.0178 6.0616 6.0786 6.5028 6.5201 6.7337 6.7558 6.8947 6.9041 k = 0.4286 0.7725 0.5625 ( 26766 PWs) bands (ev): -17.3650 -17.3650 -17.3626 -17.3626 -17.3232 -17.3231 -17.3186 -17.3185 -6.9158 -6.8827 -6.8580 -6.8389 -6.2074 -6.1872 -6.1739 -6.1642 -6.0823 -6.0059 -5.9904 -5.8673 -4.9350 -4.9326 -4.8568 -4.8491 -4.8171 -4.6909 -4.6643 -4.6510 -4.6141 -4.5708 -4.5667 -4.4613 -4.3970 -4.3541 -4.3507 -4.2937 2.9216 2.9416 2.9425 2.9765 3.1114 3.1395 3.1618 3.1734 3.3383 3.3535 3.3960 3.4048 6.0036 6.0183 6.0552 6.0721 6.5361 6.5538 6.7198 6.7416 6.9057 6.9143 k = 0.4524 0.7794 0.5429 ( 26751 PWs) bands (ev): -17.3650 -17.3650 -17.3631 -17.3631 -17.3221 -17.3221 -17.3192 -17.3192 -6.9150 -6.8819 -6.8561 -6.8369 -6.2081 -6.1849 -6.1757 -6.1675 -6.0849 -6.0033 -5.9925 -5.8656 -4.9337 -4.9302 -4.8537 -4.8507 -4.8249 -4.6868 -4.6683 -4.6558 -4.6196 -4.5690 -4.5677 -4.4579 -4.3953 -4.3519 -4.3494 -4.2929 2.9228 2.9381 2.9426 2.9710 3.1109 3.1460 3.1616 3.1686 3.3435 3.3584 3.3895 3.4022 6.0068 6.0218 6.0530 6.0699 6.5704 6.5889 6.6987 6.7200 6.9186 6.9261 k = 0.4762 0.7863 0.5233 ( 26752 PWs) bands (ev): -17.3648 -17.3648 -17.3637 -17.3637 -17.3211 -17.3211 -17.3198 -17.3198 -6.9141 -6.8810 -6.8544 -6.8351 -6.2091 -6.1824 -6.1774 -6.1704 -6.0869 -6.0008 -5.9946 -5.8643 -4.9325 -4.9275 -4.8524 -4.8504 -4.8321 -4.6840 -4.6721 -4.6604 -4.6245 -4.5675 -4.5673 -4.4548 -4.3946 -4.3498 -4.3485 -4.2929 2.9239 2.9337 2.9428 2.9652 3.1100 3.1523 3.1625 3.1634 3.3471 3.3631 3.3832 3.4005 6.0125 6.0280 6.0550 6.0721 6.6047 6.6247 6.6725 6.6927 6.9320 6.9383 k = 0.5000 0.7932 0.5037 ( 26746 PWs) bands (ev): -17.3645 -17.3645 -17.3644 -17.3644 -17.3203 -17.3202 -17.3202 -17.3201 -6.9130 -6.8800 -6.8529 -6.8337 -6.2105 -6.1806 -6.1784 -6.1730 -6.0885 -5.9983 -5.9964 -5.8634 -4.9314 -4.9246 -4.8542 -4.8482 -4.8375 -4.6835 -4.6757 -4.6642 -4.6281 -4.5662 -4.5657 -4.4519 -4.3946 -4.3480 -4.3477 -4.2937 2.9229 2.9310 2.9414 2.9599 3.1090 3.1577 3.1586 3.1645 3.3482 3.3654 3.3795 3.4005 6.0207 6.0365 6.0616 6.0789 6.6311 6.6494 6.6560 6.6656 6.9403 6.9457 k = 0.5000 0.7932 0.5037 ( 26746 PWs) bands (ev): -17.3645 -17.3645 -17.3644 -17.3644 -17.3203 -17.3202 -17.3202 -17.3201 -6.9130 -6.8800 -6.8529 -6.8337 -6.2105 -6.1806 -6.1784 -6.1730 -6.0885 -5.9983 -5.9964 -5.8634 -4.9314 -4.9246 -4.8542 -4.8482 -4.8375 -4.6835 -4.6757 -4.6642 -4.6281 -4.5662 -4.5657 -4.4519 -4.3946 -4.3480 -4.3477 -4.2937 2.9229 2.9310 2.9414 2.9599 3.1090 3.1577 3.1586 3.1645 3.3482 3.3654 3.3795 3.4005 6.0207 6.0365 6.0616 6.0789 6.6311 6.6494 6.6560 6.6656 6.9403 6.9457 k = 0.5000 0.7746 0.4774 ( 26740 PWs) bands (ev): -17.3653 -17.3653 -17.3652 -17.3652 -17.3195 -17.3194 -17.3194 -17.3193 -6.9096 -6.8769 -6.8489 -6.8298 -6.2146 -6.1796 -6.1796 -6.1779 -6.0916 -6.0005 -5.9919 -5.8616 -4.9294 -4.9164 -4.8591 -4.8464 -4.8458 -4.6868 -4.6849 -4.6735 -4.6342 -4.5618 -4.5611 -4.4444 -4.3960 -4.3471 -4.3427 -4.2970 2.9150 2.9284 2.9339 2.9472 3.1069 3.1551 3.1612 3.1706 3.3474 3.3632 3.3777 3.4032 6.0463 6.0623 6.0863 6.1037 6.6331 6.6512 6.6607 6.6668 6.9333 6.9384 k = 0.5000 0.7560 0.4512 ( 26754 PWs) bands (ev): -17.3665 -17.3664 -17.3664 -17.3663 -17.3184 -17.3183 -17.3183 -17.3182 -6.9058 -6.8733 -6.8446 -6.8257 -6.2189 -6.1865 -6.1793 -6.1788 -6.0932 -6.0039 -5.9855 -5.8600 -4.9296 -4.9085 -4.8640 -4.8516 -4.8447 -4.6941 -4.6911 -4.6842 -4.6384 -4.5581 -4.5551 -4.4372 -4.3974 -4.3464 -4.3380 -4.3009 2.9073 2.9249 2.9252 2.9340 3.1057 3.1523 3.1625 3.1763 3.3462 3.3609 3.3761 3.4053 6.0735 6.0897 6.1127 6.1300 6.6358 6.6533 6.6658 6.6675 6.9235 6.9292 k = 0.5000 0.7373 0.4249 ( 26770 PWs) bands (ev): -17.3679 -17.3678 -17.3678 -17.3677 -17.3170 -17.3169 -17.3169 -17.3168 -6.9016 -6.8694 -6.8399 -6.8212 -6.2233 -6.1934 -6.1811 -6.1798 -6.0935 -6.0065 -5.9791 -5.8586 -4.9323 -4.9008 -4.8689 -4.8546 -4.8432 -4.7032 -4.6961 -4.6958 -4.6413 -4.5548 -4.5485 -4.4303 -4.3988 -4.3458 -4.3338 -4.3052 2.9000 2.9150 2.9207 2.9216 3.1050 3.1493 3.1625 3.1815 3.3446 3.3583 3.3745 3.4069 6.1018 6.1180 6.1400 6.1572 6.6393 6.6556 6.6676 6.6712 6.9118 6.9194 k = 0.5000 0.7187 0.3986 ( 26756 PWs) bands (ev): -17.3695 -17.3695 -17.3694 -17.3694 -17.3153 -17.3153 -17.3152 -17.3152 -6.8970 -6.8651 -6.8350 -6.8165 -6.2278 -6.2004 -6.1847 -6.1812 -6.0924 -6.0081 -5.9729 -5.8575 -4.9373 -4.8934 -4.8737 -4.8547 -4.8418 -4.7122 -4.7078 -4.7018 -4.6431 -4.5517 -4.5416 -4.4240 -4.4002 -4.3452 -4.3300 -4.3098 2.8932 2.9046 2.9076 2.9177 3.1047 3.1461 3.1612 3.1861 3.3427 3.3554 3.3729 3.4079 6.1305 6.1464 6.1676 6.1846 6.6430 6.6576 6.6666 6.6765 6.8992 6.9099 k = 0.5000 0.7001 0.3723 ( 26760 PWs) bands (ev): -17.3713 -17.3713 -17.3712 -17.3712 -17.3135 -17.3135 -17.3134 -17.3134 -6.8920 -6.8604 -6.8299 -6.8114 -6.2323 -6.2075 -6.1893 -6.1834 -6.0901 -6.0089 -5.9668 -5.8565 -4.9440 -4.8865 -4.8783 -4.8527 -4.8407 -4.7210 -4.7199 -4.7080 -4.6442 -4.5490 -4.5347 -4.4182 -4.4016 -4.3448 -4.3267 -4.3148 2.8871 2.8938 2.8948 2.9138 3.1046 3.1427 3.1587 3.1900 3.3405 3.3522 3.3713 3.4084 6.1590 6.1743 6.1949 6.2117 6.6467 6.6585 6.6641 6.6808 6.8867 6.8977 k = 0.5000 0.6815 0.3460 ( 26758 PWs) bands (ev): -17.3733 -17.3732 -17.3732 -17.3732 -17.3115 -17.3115 -17.3114 -17.3114 -6.8867 -6.8555 -6.8245 -6.8061 -6.2368 -6.2144 -6.1947 -6.1864 -6.0870 -6.0089 -5.9608 -5.8558 -4.9517 -4.8828 -4.8801 -4.8492 -4.8400 -4.7318 -4.7295 -4.7145 -4.6446 -4.5465 -4.5281 -4.4133 -4.4029 -4.3446 -4.3239 -4.3198 2.8817 2.8825 2.8832 2.9100 3.1046 3.1392 3.1552 3.1932 3.3382 3.3487 3.3696 3.4083 6.1863 6.2004 6.2209 6.2373 6.6495 6.6576 6.6600 6.6832 6.8755 6.8849 k = 0.5000 0.6629 0.3198 ( 26756 PWs) bands (ev): -17.3753 -17.3753 -17.3752 -17.3752 -17.3095 -17.3094 -17.3094 -17.3093 -6.8811 -6.8504 -6.8189 -6.8006 -6.2412 -6.2212 -6.2006 -6.1901 -6.0832 -6.0082 -5.9550 -5.8552 -4.9599 -4.8871 -4.8744 -4.8445 -4.8397 -4.7434 -4.7375 -4.7212 -4.6444 -4.5443 -4.5218 -4.4093 -4.4041 -4.3447 -4.3249 -4.3216 2.8707 2.8729 2.8774 2.9066 3.1045 3.1354 3.1506 3.1955 3.3358 3.3448 3.3679 3.4078 6.2117 6.2238 6.2447 6.2607 6.6505 6.6538 6.6539 6.6823 6.8669 6.8756 k = 0.5000 0.6443 0.2935 ( 26762 PWs) bands (ev): -17.3775 -17.3775 -17.3774 -17.3774 -17.3073 -17.3073 -17.3072 -17.3072 -6.8752 -6.8450 -6.8131 -6.7950 -6.2456 -6.2279 -6.2067 -6.1943 -6.0790 -6.0069 -5.9494 -5.8548 -4.9682 -4.8911 -4.8694 -4.8401 -4.8392 -4.7546 -4.7449 -4.7280 -4.6436 -4.5423 -4.5162 -4.4064 -4.4050 -4.3449 -4.3298 -4.3199 2.8597 2.8630 2.8740 2.9037 3.1042 3.1316 3.1452 3.1970 3.3335 3.3407 3.3660 3.4069 6.2341 6.2432 6.2651 6.2806 6.6459 6.6466 6.6487 6.6770 6.8625 6.8713 k = 0.5000 0.6257 0.2672 ( 26758 PWs) bands (ev): -17.3797 -17.3796 -17.3796 -17.3795 -17.3051 -17.3051 -17.3050 -17.3050 -6.8691 -6.8395 -6.8072 -6.7893 -6.2498 -6.2344 -6.2130 -6.1990 -6.0744 -6.0052 -5.9439 -5.8546 -4.9762 -4.8949 -4.8653 -4.8414 -4.8333 -4.7652 -4.7515 -4.7348 -4.6422 -4.5404 -4.5113 -4.4056 -4.4049 -4.3455 -4.3343 -4.3187 2.8495 2.8538 2.8716 2.9013 3.1038 3.1275 3.1391 3.1976 3.3315 3.3364 3.3640 3.4057 6.2525 6.2573 6.2809 6.2959 6.6360 6.6361 6.6436 6.6668 6.8637 6.8729 k = 0.5000 0.6071 0.2409 ( 26744 PWs) bands (ev): -17.3818 -17.3818 -17.3817 -17.3817 -17.3029 -17.3029 -17.3028 -17.3028 -6.8629 -6.8340 -6.8011 -6.7835 -6.2540 -6.2406 -6.2192 -6.2041 -6.0697 -6.0031 -5.9387 -5.8545 -4.9838 -4.8984 -4.8622 -4.8437 -4.8271 -4.7750 -4.7569 -4.7416 -4.6402 -4.5385 -4.5073 -4.4058 -4.4049 -4.3465 -4.3383 -4.3180 2.8403 2.8454 2.8705 2.8997 3.1033 3.1233 3.1324 3.1971 3.3298 3.3320 3.3619 3.4042 6.2649 6.2658 6.2907 6.3053 6.6234 6.6251 6.6356 6.6529 6.8709 6.8804 k = 0.5000 0.5885 0.2146 ( 26750 PWs) bands (ev): -17.3840 -17.3840 -17.3839 -17.3839 -17.3007 -17.3007 -17.3006 -17.3006 -6.8565 -6.8285 -6.7950 -6.7777 -6.2579 -6.2466 -6.2253 -6.2093 -6.0648 -6.0008 -5.9335 -5.8546 -4.9909 -4.9017 -4.8602 -4.8473 -4.8206 -4.7839 -4.7611 -4.7484 -4.6377 -4.5366 -4.5043 -4.4064 -4.4056 -4.3478 -4.3417 -4.3179 2.8320 2.8379 2.8705 2.8989 3.1026 3.1190 3.1252 3.1957 3.3274 3.3287 3.3596 3.4025 6.2650 6.2727 6.2931 6.3078 6.6104 6.6140 6.6262 6.6373 6.8837 6.8928 k = 0.5000 0.5699 0.1884 ( 26752 PWs) bands (ev): -17.3861 -17.3861 -17.3860 -17.3860 -17.2986 -17.2986 -17.2985 -17.2985 -6.8501 -6.8229 -6.7889 -6.7719 -6.2618 -6.2522 -6.2312 -6.2147 -6.0598 -5.9983 -5.9286 -5.8547 -4.9974 -4.9047 -4.8596 -4.8522 -4.8139 -4.7916 -4.7640 -4.7550 -4.6346 -4.5347 -4.5022 -4.4093 -4.4049 -4.3496 -4.3445 -4.3182 2.8247 2.8312 2.8717 2.8989 3.1018 3.1144 3.1175 3.1934 3.3229 3.3281 3.3572 3.4006 6.2571 6.2723 6.2869 6.3023 6.5995 6.6044 6.6174 6.6226 6.9011 6.9077 k = 0.5000 0.5513 0.1621 ( 26744 PWs) bands (ev): -17.3882 -17.3882 -17.3881 -17.3881 -17.2965 -17.2965 -17.2964 -17.2964 -6.8437 -6.8176 -6.7829 -6.7663 -6.2654 -6.2575 -6.2367 -6.2201 -6.0549 -5.9959 -5.9237 -5.8550 -5.0031 -4.9075 -4.8604 -4.8585 -4.8071 -4.7981 -4.7655 -4.7614 -4.6309 -4.5326 -4.5011 -4.4135 -4.4038 -4.3517 -4.3469 -4.3191 2.8183 2.8254 2.8741 2.8999 3.1009 3.1096 3.1097 3.1902 3.3185 3.3281 3.3545 3.3987 6.2412 6.2638 6.2719 6.2887 6.5925 6.5977 6.6109 6.6113 6.9208 6.9215 k = 0.5000 0.5327 0.1358 ( 26760 PWs) bands (ev): -17.3902 -17.3902 -17.3901 -17.3901 -17.2945 -17.2944 -17.2944 -17.2944 -6.8374 -6.8123 -6.7769 -6.7608 -6.2689 -6.2625 -6.2419 -6.2254 -6.0499 -5.9936 -5.9190 -5.8554 -5.0081 -4.9100 -4.8660 -4.8627 -4.8032 -4.8003 -4.7675 -4.7658 -4.6268 -4.5303 -4.5010 -4.4187 -4.4023 -4.3542 -4.3491 -4.3205 2.8130 2.8205 2.8777 2.9018 3.1000 3.1016 3.1047 3.1863 3.3143 3.3286 3.3517 3.3966 6.2185 6.2476 6.2488 6.2677 6.5904 6.5948 6.6046 6.6079 6.9359 6.9434 k = 0.5000 0.5141 0.1095 ( 26764 PWs) bands (ev): -17.3921 -17.3921 -17.3920 -17.3920 -17.2925 -17.2925 -17.2925 -17.2924 -6.8312 -6.8073 -6.7711 -6.7556 -6.2721 -6.2671 -6.2467 -6.2306 -6.0449 -5.9915 -5.9145 -5.8559 -5.0122 -4.9122 -4.8744 -4.8662 -4.8070 -4.7934 -4.7734 -4.7651 -4.6222 -4.5278 -4.5017 -4.4246 -4.4005 -4.3571 -4.3513 -4.3223 2.8087 2.8165 2.8824 2.9046 3.0934 3.0992 3.0996 3.1818 3.3103 3.3296 3.3486 3.3944 6.1903 6.2195 6.2247 6.2408 6.5930 6.5957 6.6032 6.6085 6.9520 6.9651 k = 0.5000 0.4955 0.0832 ( 26766 PWs) bands (ev): -17.3939 -17.3939 -17.3938 -17.3938 -17.2907 -17.2907 -17.2906 -17.2906 -6.8251 -6.8026 -6.7654 -6.7507 -6.2751 -6.2713 -6.2511 -6.2356 -6.0400 -5.9896 -5.9101 -5.8564 -5.0155 -4.9142 -4.8836 -4.8706 -4.8098 -4.7866 -4.7790 -4.7637 -4.6171 -4.5250 -4.5032 -4.4308 -4.3983 -4.3603 -4.3535 -4.3245 2.8052 2.8133 2.8882 2.9082 3.0852 3.0943 3.0986 3.1768 3.3065 3.3310 3.3453 3.3922 6.1587 6.1860 6.1970 6.2098 6.5994 6.6002 6.6065 6.6124 6.9679 6.9827 k = 0.5000 0.4768 0.0569 ( 26772 PWs) bands (ev): -17.3956 -17.3956 -17.3955 -17.3955 -17.2890 -17.2890 -17.2889 -17.2889 -6.8193 -6.7983 -6.7600 -6.7461 -6.2780 -6.2752 -6.2550 -6.2403 -6.0351 -5.9881 -5.9058 -5.8571 -5.0178 -4.9160 -4.8933 -4.8757 -4.8118 -4.7843 -4.7800 -4.7617 -4.6117 -4.5220 -4.5054 -4.4373 -4.3959 -4.3636 -4.3559 -4.3271 2.8026 2.8107 2.8949 2.9126 3.0772 3.0888 3.0982 3.1716 3.3031 3.3327 3.3417 3.3899 6.1253 6.1504 6.1664 6.1767 6.6078 6.6090 6.6139 6.6194 6.9823 6.9952 k = 0.5000 0.4582 0.0307 ( 26782 PWs) bands (ev): -17.3972 -17.3972 -17.3971 -17.3971 -17.2874 -17.2874 -17.2873 -17.2873 -6.8137 -6.7943 -6.7548 -6.7419 -6.2805 -6.2786 -6.2585 -6.2448 -6.0304 -5.9868 -5.9017 -5.8579 -5.0192 -4.9174 -4.9034 -4.8810 -4.8134 -4.7892 -4.7736 -4.7593 -4.6061 -4.5189 -4.5081 -4.4438 -4.3932 -4.3672 -4.3586 -4.3300 2.8007 2.8088 2.9025 2.9176 3.0693 3.0830 3.0981 3.1662 3.3001 3.3346 3.3379 3.3874 6.0916 6.1144 6.1347 6.1430 6.6180 6.6211 6.6245 6.6288 6.9941 7.0039 k = 0.5000 0.4396 0.0044 ( 26782 PWs) bands (ev): -17.3986 -17.3986 -17.3985 -17.3985 -17.2860 -17.2859 -17.2859 -17.2859 -6.8084 -6.7908 -6.7500 -6.7382 -6.2829 -6.2816 -6.2615 -6.2490 -6.0257 -5.9860 -5.8977 -5.8588 -5.0196 -4.9186 -4.9137 -4.8863 -4.8145 -4.7937 -4.7676 -4.7567 -4.6002 -4.5155 -4.5115 -4.4502 -4.3905 -4.3707 -4.3616 -4.3333 2.7995 2.8074 2.9107 2.9232 3.0617 3.0771 3.0984 3.1606 3.2976 3.3339 3.3368 3.3848 6.0590 6.0793 6.1034 6.1102 6.6304 6.6350 6.6377 6.6404 7.0020 7.0079 k = 0.5000 0.4210-0.0219 ( 26786 PWs) bands (ev): -17.3999 -17.3999 -17.3998 -17.3998 -17.2847 -17.2847 -17.2846 -17.2846 -6.8035 -6.7878 -6.7455 -6.7349 -6.2850 -6.2843 -6.2640 -6.2528 -6.0212 -5.9856 -5.8939 -5.8599 -5.0190 -4.9240 -4.9195 -4.8915 -4.8154 -4.7978 -4.7620 -4.7539 -4.5941 -4.5152 -4.5120 -4.4562 -4.3875 -4.3741 -4.3647 -4.3367 2.7989 2.8063 2.9194 2.9291 3.0544 3.0710 3.0992 3.1550 3.2956 3.3296 3.3392 3.3821 6.0284 6.0463 6.0736 6.0791 6.6447 6.6504 6.6527 6.6537 7.0051 7.0069 k = 0.5000 0.4024-0.0482 ( 26798 PWs) bands (ev): -17.4010 -17.4010 -17.4009 -17.4009 -17.2835 -17.2835 -17.2835 -17.2834 -6.7990 -6.7853 -6.7414 -6.7321 -6.2868 -6.2865 -6.2661 -6.2562 -6.0168 -5.9856 -5.8902 -5.8611 -5.0174 -4.9343 -4.9201 -4.8963 -4.8160 -4.8015 -4.7569 -4.7512 -4.5879 -4.5194 -4.5084 -4.4619 -4.3845 -4.3773 -4.3680 -4.3404 2.7987 2.8055 2.9283 2.9353 3.0476 3.0647 3.1005 3.1495 3.2942 3.3251 3.3418 3.3792 6.0007 6.0161 6.0464 6.0508 6.6603 6.6667 6.6682 6.6690 7.0012 7.0032 k = 0.5000 0.3838-0.0745 ( 26788 PWs) bands (ev): -17.4020 -17.4020 -17.4019 -17.4019 -17.2825 -17.2825 -17.2825 -17.2825 -6.7949 -6.7833 -6.7378 -6.7298 -6.2884 -6.2884 -6.2677 -6.2593 -6.0125 -5.9861 -5.8867 -5.8625 -5.0149 -4.9444 -4.9204 -4.9008 -4.8164 -4.8048 -4.7524 -4.7486 -4.5816 -4.5239 -4.5048 -4.4672 -4.3813 -4.3801 -4.3713 -4.3442 2.7989 2.8050 2.9371 2.9415 3.0414 3.0583 3.1024 3.1440 3.2934 3.3206 3.3445 3.3762 5.9765 5.9894 6.0223 6.0258 6.6769 6.6835 6.6836 6.6860 6.9916 6.9964 k = 0.5000 0.3652-0.1007 ( 26780 PWs) bands (ev): -17.4028 -17.4027 -17.4027 -17.4027 -17.2817 -17.2817 -17.2817 -17.2817 -6.7912 -6.7818 -6.7346 -6.7281 -6.2898 -6.2897 -6.2688 -6.2620 -6.0085 -5.9870 -5.8834 -5.8640 -5.0114 -4.9541 -4.9204 -4.9049 -4.8167 -4.8076 -4.7487 -4.7462 -4.5753 -4.5288 -4.5012 -4.4720 -4.3823 -4.3780 -4.3745 -4.3480 2.7994 2.8045 2.9454 2.9476 3.0360 3.0518 3.1048 3.1387 3.2933 3.3161 3.3473 3.3730 5.9563 5.9666 6.0020 6.0047 6.6937 6.6990 6.6999 6.7028 6.9797 6.9859 k = 0.5000 0.3466-0.1270 ( 26794 PWs) bands (ev): -17.4034 -17.4034 -17.4033 -17.4033 -17.2811 -17.2811 -17.2810 -17.2810 -6.7881 -6.7810 -6.7319 -6.7270 -6.2910 -6.2908 -6.2694 -6.2643 -6.0047 -5.9884 -5.8803 -5.8657 -5.0069 -4.9635 -4.9200 -4.9084 -4.8166 -4.8100 -4.7457 -4.7443 -4.5690 -4.5339 -4.4977 -4.4764 -4.3839 -4.3776 -4.3746 -4.3520 2.8000 2.8040 2.9528 2.9532 3.0318 3.0454 3.1076 3.1334 3.2940 3.3117 3.3503 3.3698 5.9405 5.9483 5.9859 5.9878 6.7099 6.7136 6.7151 6.7182 6.9672 6.9712 k = 0.5000 0.3280-0.1533 ( 26798 PWs) bands (ev): -17.4038 -17.4038 -17.4037 -17.4037 -17.2806 -17.2806 -17.2806 -17.2806 -6.7855 -6.7807 -6.7297 -6.7264 -6.2917 -6.2916 -6.2697 -6.2662 -6.0011 -5.9902 -5.8773 -5.8676 -5.0016 -4.9725 -4.9192 -4.9115 -4.8164 -4.8120 -4.7435 -4.7428 -4.5628 -4.5393 -4.4943 -4.4804 -4.3847 -4.3802 -4.3710 -4.3559 2.8008 2.8035 2.9579 2.9586 3.0291 3.0394 3.1110 3.1284 3.2954 3.3075 3.3534 3.3665 5.9294 5.9346 5.9742 5.9755 6.7241 6.7261 6.7277 6.7307 6.9563 6.9583 k = 0.5000 0.3094-0.1796 ( 26786 PWs) bands (ev): -17.4041 -17.4041 -17.4040 -17.4040 -17.2804 -17.2804 -17.2803 -17.2803 -6.7835 -6.7811 -6.7280 -6.7264 -6.2922 -6.2921 -6.2694 -6.2677 -5.9979 -5.9924 -5.8746 -5.8698 -4.9955 -4.9808 -4.9179 -4.9141 -4.8158 -4.8137 -4.7422 -4.7419 -4.5567 -4.5449 -4.4910 -4.4841 -4.3847 -4.3824 -4.3674 -4.3598 2.8015 2.8029 2.9614 2.9621 3.0286 3.0341 3.1148 3.1236 3.2975 3.3036 3.3565 3.3631 5.9232 5.9258 5.9673 5.9679 6.7348 6.7350 6.7359 6.7385 6.9492 6.9498 k = 0.5000 0.2908-0.2059 ( 26744 PWs) bands (ev): -17.4042 -17.4042 -17.4041 -17.4041 -17.2803 -17.2803 -17.2802 -17.2802 -6.7820 -6.7820 -6.7269 -6.7269 -6.2923 -6.2923 -6.2688 -6.2688 -5.9949 -5.9949 -5.8721 -5.8721 -4.9885 -4.9885 -4.9163 -4.9163 -4.8149 -4.8149 -4.7417 -4.7417 -4.5507 -4.5507 -4.4876 -4.4876 -4.3839 -4.3839 -4.3636 -4.3636 2.8022 2.8022 2.9630 2.9630 3.0303 3.0303 3.1191 3.1191 3.3003 3.3003 3.3598 3.3598 5.9220 5.9220 5.9652 5.9652 6.7385 6.7385 6.7400 6.7400 6.9475 6.9475 k = 0.5000 0.2908 0.7096 ( 26760 PWs) bands (ev): -17.3830 -17.3830 -17.3436 -17.3436 -17.3345 -17.3345 -17.3082 -17.3082 -6.8763 -6.8763 -6.8334 -6.8334 -6.2440 -6.2440 -6.1480 -6.1480 -6.0686 -6.0686 -5.9030 -5.9030 -4.9725 -4.9725 -4.8236 -4.8236 -4.7748 -4.7748 -4.6585 -4.6585 -4.5685 -4.5685 -4.5020 -4.5020 -4.4100 -4.4100 -4.3194 -4.3194 2.7920 2.7920 2.9101 2.9101 3.1752 3.1752 3.2284 3.2284 3.3110 3.3110 3.4497 3.4497 6.1080 6.1080 6.1906 6.1906 6.3753 6.3753 6.8267 6.8267 7.0468 7.0468 k = 0.4828 0.2807 0.6851 ( 26764 PWs) bands (ev): -17.3834 -17.3834 -17.3437 -17.3437 -17.3342 -17.3341 -17.3082 -17.3082 -6.8774 -6.8746 -6.8349 -6.8314 -6.2454 -6.2427 -6.1516 -6.1455 -6.0724 -6.0644 -5.9074 -5.8985 -4.9748 -4.9702 -4.8269 -4.8207 -4.7788 -4.7707 -4.6610 -4.6571 -4.5742 -4.5631 -4.5052 -4.4970 -4.4148 -4.4057 -4.3217 -4.3172 2.7916 2.7924 2.9073 2.9134 3.1709 3.1783 3.2243 3.2324 3.3059 3.3156 3.4460 3.4534 6.1046 6.1082 6.1847 6.1908 6.3766 6.3835 6.8239 6.8284 7.0414 7.0460 k = 0.4655 0.2707 0.6607 ( 26759 PWs) bands (ev): -17.3843 -17.3843 -17.3440 -17.3440 -17.3332 -17.3332 -17.3079 -17.3079 -6.8779 -6.8723 -6.8359 -6.8289 -6.2467 -6.2414 -6.1559 -6.1441 -6.0755 -6.0599 -5.9118 -5.8940 -4.9773 -4.9680 -4.8308 -4.8185 -4.7828 -4.7666 -4.6644 -4.6570 -4.5800 -4.5588 -4.5062 -4.4908 -4.4200 -4.4022 -4.3239 -4.3150 2.7913 2.7929 2.9053 2.9173 3.1659 3.1799 3.2203 3.2359 3.3004 3.3193 3.4425 3.4569 6.0977 6.1045 6.1753 6.1855 6.3871 6.3992 6.8200 6.8286 7.0301 7.0388 k = 0.4483 0.2607 0.6362 ( 26757 PWs) bands (ev): -17.3858 -17.3858 -17.3444 -17.3444 -17.3318 -17.3318 -17.3074 -17.3074 -6.8779 -6.8695 -6.8363 -6.8259 -6.2480 -6.2401 -6.1607 -6.1440 -6.0779 -6.0551 -5.9162 -5.8896 -4.9797 -4.9659 -4.8352 -4.8170 -4.7865 -4.7625 -4.6683 -4.6582 -4.5855 -4.5557 -4.5049 -4.4840 -4.4251 -4.3996 -4.3259 -4.3131 2.7912 2.7935 2.9040 2.9216 3.1605 3.1797 3.2167 3.2389 3.2947 3.3222 3.4392 3.4603 6.0870 6.0964 6.1652 6.1767 6.4044 6.4195 6.8148 6.8269 7.0133 7.0250 k = 0.4310 0.2507 0.6117 ( 26749 PWs) bands (ev): -17.3878 -17.3877 -17.3448 -17.3448 -17.3301 -17.3301 -17.3067 -17.3067 -6.8772 -6.8662 -6.8362 -6.8224 -6.2493 -6.2390 -6.1659 -6.1453 -6.0796 -6.0503 -5.9203 -5.8853 -4.9821 -4.9641 -4.8402 -4.8162 -4.7899 -4.7585 -4.6725 -4.6606 -4.5908 -4.5537 -4.5021 -4.4768 -4.4297 -4.3977 -4.3277 -4.3114 2.7913 2.7941 2.9034 2.9261 3.1549 3.1775 3.2136 3.2410 3.2892 3.3241 3.4363 3.4634 6.0719 6.0833 6.1559 6.1665 6.4257 6.4419 6.8078 6.8227 6.9928 7.0061 k = 0.4138 0.2406 0.5873 ( 26745 PWs) bands (ev): -17.3901 -17.3901 -17.3452 -17.3452 -17.3283 -17.3282 -17.3058 -17.3058 -6.8759 -6.8623 -6.8356 -6.8185 -6.2506 -6.2379 -6.1713 -6.1479 -6.0809 -6.0455 -5.9242 -5.8811 -4.9846 -4.9625 -4.8456 -4.8162 -4.7929 -4.7547 -4.6769 -4.6638 -4.5960 -4.5523 -4.4991 -4.4698 -4.4329 -4.3968 -4.3291 -4.3100 2.7918 2.7951 2.9034 2.9308 3.1493 3.1736 3.2107 3.2422 3.2841 3.3250 3.4339 3.4662 6.0522 6.0653 6.1471 6.1560 6.4486 6.4646 6.7986 6.8155 6.9719 6.9855 k = 0.3966 0.2306 0.5628 ( 26743 PWs) bands (ev): -17.3927 -17.3927 -17.3456 -17.3455 -17.3264 -17.3264 -17.3046 -17.3046 -6.8741 -6.8581 -6.8344 -6.8142 -6.2517 -6.2369 -6.1768 -6.1515 -6.0818 -6.0409 -5.9278 -5.8769 -4.9869 -4.9611 -4.8514 -4.8173 -4.7952 -4.7510 -4.6811 -4.6674 -4.6013 -4.5511 -4.4973 -4.4633 -4.4336 -4.3965 -4.3302 -4.3088 2.7924 2.7965 2.9040 2.9354 3.1440 3.1684 3.2077 3.2424 3.2796 3.3250 3.4319 3.4685 6.0275 6.0423 6.1384 6.1456 6.4716 6.4861 6.7869 6.8051 6.9540 6.9672 k = 0.3793 0.2206 0.5383 ( 26742 PWs) bands (ev): -17.3955 -17.3955 -17.3459 -17.3459 -17.3246 -17.3246 -17.3033 -17.3033 -6.8718 -6.8536 -6.8326 -6.8096 -6.2528 -6.2362 -6.1823 -6.1559 -6.0826 -6.0365 -5.9310 -5.8730 -4.9893 -4.9601 -4.8577 -4.8194 -4.7968 -4.7476 -4.6851 -4.6710 -4.6066 -4.5503 -4.4978 -4.4573 -4.4314 -4.3967 -4.3309 -4.3080 2.7934 2.7987 2.9050 2.9398 3.1391 3.1626 3.2042 3.2415 3.2758 3.3242 3.4304 3.4705 5.9973 6.0137 6.1295 6.1356 6.4933 6.5057 6.7730 6.7921 6.9411 6.9542 k = 0.3621 0.2106 0.5138 ( 26744 PWs) bands (ev): -17.3985 -17.3985 -17.3462 -17.3462 -17.3229 -17.3228 -17.3017 -17.3017 -6.8690 -6.8488 -6.8302 -6.8046 -6.2537 -6.2357 -6.1875 -6.1609 -6.0835 -6.0327 -5.9336 -5.8691 -4.9916 -4.9594 -4.8642 -4.8222 -4.7979 -4.7446 -4.6888 -4.6742 -4.6122 -4.5500 -4.5005 -4.4516 -4.4269 -4.3970 -4.3313 -4.3074 2.7948 2.8017 2.9063 2.9440 3.1347 3.1564 3.2001 3.2398 3.2726 3.3229 3.4294 3.4720 5.9605 5.9784 6.1211 6.1267 6.5131 6.5230 6.7576 6.7774 6.9341 6.9476 k = 0.3448 0.2005 0.4894 ( 26758 PWs) bands (ev): -17.4016 -17.4015 -17.3465 -17.3465 -17.3213 -17.3213 -17.2999 -17.2999 -6.8658 -6.8440 -6.8271 -6.7993 -6.2546 -6.2355 -6.1924 -6.1662 -6.0846 -6.0295 -5.9355 -5.8655 -4.9938 -4.9592 -4.8708 -4.8255 -4.7986 -4.7420 -4.6921 -4.6769 -4.6178 -4.5510 -4.5044 -4.4461 -4.4215 -4.3970 -4.3315 -4.3071 2.7967 2.8056 2.9078 2.9478 3.1309 3.1504 3.1955 3.2373 3.2698 3.3210 3.4287 3.4732 5.9164 5.9356 6.1142 6.1196 6.5308 6.5383 6.7417 6.7620 6.9323 6.9467 k = 0.3276 0.1905 0.4649 ( 26749 PWs) bands (ev): -17.4046 -17.4046 -17.3468 -17.3468 -17.3198 -17.3198 -17.2979 -17.2979 -6.8621 -6.8392 -6.8233 -6.7938 -6.2553 -6.2358 -6.1968 -6.1716 -6.0861 -6.0272 -5.9365 -5.8621 -4.9960 -4.9594 -4.8774 -4.8292 -4.7991 -4.7399 -4.6950 -4.6789 -4.6234 -4.5540 -4.5080 -4.4410 -4.4163 -4.3958 -4.3315 -4.3071 2.7992 2.8103 2.9094 2.9513 3.1276 3.1448 3.1904 3.2343 3.2674 3.3187 3.4284 3.4740 5.8652 5.8850 6.1096 6.1149 6.5461 6.5519 6.7261 6.7464 6.9346 6.9498 k = 0.3103 0.1805 0.4404 ( 26748 PWs) bands (ev): -17.4077 -17.4077 -17.3471 -17.3470 -17.3185 -17.3185 -17.2959 -17.2958 -6.8582 -6.8347 -6.8187 -6.7882 -6.2559 -6.2366 -6.2007 -6.1768 -6.0880 -6.0259 -5.9365 -5.8589 -4.9982 -4.9602 -4.8838 -4.8329 -4.7994 -4.7385 -4.6976 -4.6802 -4.6290 -4.5593 -4.5104 -4.4369 -4.4120 -4.3930 -4.3314 -4.3072 2.8024 2.8159 2.9110 2.9542 3.1247 3.1400 3.1852 3.2310 3.2650 3.3161 3.4285 3.4745 5.8072 5.8274 6.1078 6.1132 6.5587 6.5640 6.7117 6.7314 6.9393 6.9549 k = 0.2931 0.1705 0.4160 ( 26740 PWs) bands (ev): -17.4108 -17.4108 -17.3473 -17.3473 -17.3174 -17.3173 -17.2937 -17.2937 -6.8539 -6.8304 -6.8133 -6.7824 -6.2565 -6.2380 -6.2041 -6.1816 -6.0902 -6.0258 -5.9354 -5.8559 -5.0003 -4.9615 -4.8897 -4.8366 -4.7997 -4.7377 -4.6999 -4.6808 -4.6346 -4.5669 -4.5114 -4.4340 -4.4084 -4.3888 -4.3311 -4.3076 2.8064 2.8224 2.9127 2.9567 3.1220 3.1362 3.1800 3.2276 3.2626 3.3131 3.4290 3.4747 5.7437 5.7639 6.1092 6.1145 6.5680 6.5742 6.6993 6.7178 6.9445 6.9599 k = 0.2759 0.1604 0.3915 ( 26736 PWs) bands (ev): -17.4138 -17.4137 -17.3476 -17.3475 -17.3163 -17.3163 -17.2915 -17.2915 -6.8494 -6.8264 -6.8074 -6.7765 -6.2570 -6.2400 -6.2071 -6.1856 -6.0929 -6.0267 -5.9333 -5.8533 -5.0024 -4.9635 -4.8949 -4.8401 -4.7998 -4.7375 -4.7023 -4.6808 -4.6401 -4.5760 -4.5112 -4.4327 -4.4048 -4.3840 -4.3306 -4.3080 2.8113 2.8295 2.9145 2.9586 3.1195 3.1336 3.1751 3.2241 3.2601 3.3099 3.4298 3.4748 5.6758 5.6957 6.1136 6.1190 6.5736 6.5816 6.6896 6.7062 6.9491 6.9636 k = 0.2586 0.1504 0.3670 ( 26734 PWs) bands (ev): -17.4167 -17.4166 -17.3478 -17.3477 -17.3153 -17.3153 -17.2893 -17.2893 -6.8447 -6.8224 -6.8012 -6.7707 -6.2575 -6.2423 -6.2101 -6.1884 -6.0959 -6.0288 -5.9303 -5.8509 -5.0044 -4.9662 -4.8993 -4.8433 -4.7999 -4.7379 -4.7047 -4.6804 -4.6455 -4.5861 -4.5103 -4.4325 -4.4009 -4.3794 -4.3299 -4.3085 2.8169 2.8371 2.9165 2.9599 3.1171 3.1320 3.1709 3.2209 3.2576 3.3065 3.4310 3.4746 5.6050 5.6244 6.1210 6.1266 6.5754 6.5854 6.6831 6.6972 6.9522 6.9653 k = 0.2414 0.1404 0.3426 ( 26721 PWs) bands (ev): -17.4195 -17.4195 -17.3480 -17.3479 -17.3144 -17.3144 -17.2871 -17.2871 -6.8399 -6.8186 -6.7947 -6.7650 -6.2583 -6.2448 -6.2132 -6.1899 -6.0992 -6.0318 -5.9266 -5.8488 -5.0064 -4.9695 -4.9026 -4.8462 -4.7998 -4.7388 -4.7077 -4.6798 -4.6506 -4.5965 -4.5088 -4.4332 -4.3968 -4.3753 -4.3290 -4.3091 2.8233 2.8450 2.9189 2.9606 3.1153 3.1312 3.1676 3.2179 3.2550 3.3027 3.4326 3.4744 5.5324 5.5512 6.1313 6.1370 6.5736 6.5853 6.6793 6.6907 6.9535 6.9649 k = 0.2241 0.1303 0.3181 ( 26732 PWs) bands (ev): -17.4222 -17.4221 -17.3482 -17.3481 -17.3136 -17.3136 -17.2850 -17.2850 -6.8350 -6.8149 -6.7880 -6.7594 -6.2594 -6.2473 -6.2162 -6.1902 -6.1027 -6.0357 -5.9222 -5.8471 -5.0085 -4.9734 -4.9048 -4.8486 -4.7997 -4.7401 -4.7113 -4.6793 -4.6554 -4.6066 -4.5069 -4.4344 -4.3927 -4.3720 -4.3278 -4.3096 2.8304 2.8528 2.9219 2.9608 3.1141 3.1307 3.1654 3.2152 3.2525 3.2987 3.4345 3.4741 5.4591 5.4772 6.1441 6.1500 6.5693 6.5821 6.6770 6.6860 6.9529 6.9628 k = 0.2069 0.1203 0.2936 ( 26727 PWs) bands (ev): -17.4247 -17.4247 -17.3484 -17.3483 -17.3129 -17.3129 -17.2830 -17.2829 -6.8301 -6.8113 -6.7814 -6.7540 -6.2610 -6.2497 -6.2188 -6.1895 -6.1064 -6.0402 -5.9174 -5.8458 -5.0105 -4.9777 -4.9058 -4.8505 -4.7993 -4.7418 -4.7158 -4.6796 -4.6596 -4.6157 -4.5047 -4.4359 -4.3888 -4.3695 -4.3263 -4.3100 2.8378 2.8602 2.9257 2.9605 3.1139 3.1305 3.1645 3.2127 3.2500 3.2944 3.4369 3.4739 5.3862 5.4035 6.1592 6.1654 6.5636 6.5770 6.6748 6.6822 6.9504 6.9594 k = 0.1897 0.1103 0.2692 ( 26744 PWs) bands (ev): -17.4271 -17.4271 -17.3486 -17.3485 -17.3122 -17.3122 -17.2810 -17.2810 -6.8253 -6.8078 -6.7749 -6.7489 -6.2630 -6.2520 -6.2207 -6.1881 -6.1102 -6.0453 -5.9123 -5.8448 -5.0124 -4.9823 -4.9058 -4.8519 -4.7988 -4.7439 -4.7213 -4.6815 -4.6627 -4.6234 -4.5022 -4.4377 -4.3852 -4.3678 -4.3247 -4.3104 2.8455 2.8670 2.9302 2.9599 3.1145 3.1306 3.1648 3.2106 3.2478 3.2899 3.4397 3.4737 5.3146 5.3311 6.1762 6.1827 6.5574 6.5710 6.6718 6.6784 6.9460 6.9546 k = 0.1724 0.1003 0.2447 ( 26745 PWs) bands (ev): -17.4293 -17.4293 -17.3487 -17.3487 -17.3116 -17.3116 -17.2792 -17.2792 -6.8206 -6.8045 -6.7685 -6.7442 -6.2653 -6.2544 -6.2215 -6.1863 -6.1140 -6.0508 -5.9071 -5.8442 -5.0143 -4.9870 -4.9047 -4.8528 -4.7982 -4.7462 -4.7277 -4.6862 -4.6640 -4.6292 -4.4994 -4.4396 -4.3819 -4.3668 -4.3230 -4.3106 2.8530 2.8731 2.9351 2.9591 3.1162 3.1312 3.1662 3.2087 3.2457 3.2853 3.4428 3.4737 5.2453 5.2608 6.1948 6.2016 6.5512 6.5648 6.6680 6.6744 6.9400 6.9488 k = 0.1552 0.0902 0.2202 ( 26756 PWs) bands (ev): -17.4313 -17.4313 -17.3489 -17.3488 -17.3111 -17.3110 -17.2776 -17.2775 -6.8161 -6.8015 -6.7624 -6.7399 -6.2677 -6.2571 -6.2212 -6.1842 -6.1177 -6.0566 -5.9018 -5.8440 -5.0161 -4.9917 -4.9027 -4.8532 -4.7974 -4.7488 -4.7349 -4.6933 -4.6637 -4.6331 -4.4964 -4.4417 -4.3791 -4.3663 -4.3214 -4.3107 2.8600 2.8786 2.9399 2.9588 3.1188 3.1324 3.1686 3.2068 3.2440 3.2804 3.4462 3.4739 5.1791 5.1935 6.2143 6.2217 6.5449 6.5585 6.6638 6.6700 6.9332 6.9420 k = 0.1379 0.0802 0.1958 ( 26764 PWs) bands (ev): -17.4332 -17.4332 -17.3490 -17.3490 -17.3106 -17.3105 -17.2760 -17.2760 -6.8118 -6.7987 -6.7566 -6.7361 -6.2700 -6.2601 -6.2198 -6.1821 -6.1210 -6.0628 -5.8965 -5.8442 -5.0178 -4.9962 -4.8997 -4.8531 -4.7965 -4.7518 -4.7426 -4.7019 -4.6624 -4.6358 -4.4933 -4.4439 -4.3767 -4.3662 -4.3199 -4.3106 2.8661 2.8837 2.9438 2.9595 3.1221 3.1347 3.1715 3.2051 3.2425 3.2755 3.4498 3.4743 5.1168 5.1301 6.2346 6.2424 6.5383 6.5519 6.6595 6.6655 6.9267 6.9350 k = 0.1207 0.0702 0.1713 ( 26770 PWs) bands (ev): -17.4348 -17.4348 -17.3491 -17.3491 -17.3101 -17.3101 -17.2747 -17.2747 -6.8078 -6.7962 -6.7511 -6.7328 -6.2721 -6.2630 -6.2176 -6.1803 -6.1238 -6.0691 -5.8912 -5.8448 -5.0192 -5.0005 -4.8958 -4.8525 -4.7955 -4.7555 -4.7500 -4.7110 -4.6606 -4.6374 -4.4899 -4.4463 -4.3747 -4.3664 -4.3185 -4.3104 2.8712 2.8883 2.9461 2.9615 3.1259 3.1383 3.1748 3.2035 3.2414 3.2704 3.4536 3.4749 5.0593 5.0713 6.2550 6.2634 6.5311 6.5447 6.6557 6.6611 6.9217 6.9293 k = 0.1034 0.0602 0.1468 ( 26760 PWs) bands (ev): -17.4363 -17.4363 -17.3492 -17.3492 -17.3097 -17.3097 -17.2735 -17.2735 -6.8041 -6.7941 -6.7460 -6.7300 -6.2739 -6.2660 -6.2147 -6.1790 -6.1258 -6.0755 -5.8861 -5.8458 -5.0205 -5.0045 -4.8912 -4.8516 -4.7947 -4.7615 -4.7552 -4.7200 -4.6586 -4.6386 -4.4865 -4.4488 -4.3732 -4.3668 -4.3172 -4.3102 2.8753 2.8922 2.9475 2.9642 3.1298 3.1431 3.1781 3.2023 3.2403 3.2654 3.4574 3.4756 5.0074 5.0180 6.2752 6.2841 6.5230 6.5366 6.6521 6.6567 6.9196 6.9261 k = 0.0862 0.0501 0.1223 ( 26766 PWs) bands (ev): -17.4375 -17.4375 -17.3493 -17.3493 -17.3094 -17.3094 -17.2725 -17.2725 -6.8007 -6.7924 -6.7414 -6.7279 -6.2754 -6.2687 -6.2113 -6.1785 -6.1267 -6.0820 -5.8812 -5.8473 -5.0214 -5.0081 -4.8859 -4.8506 -4.7941 -4.7693 -4.7583 -4.7285 -4.6564 -4.6396 -4.4830 -4.4514 -4.3720 -4.3672 -4.3160 -4.3100 2.8786 2.8949 2.9491 2.9665 3.1338 3.1487 3.1810 3.2018 3.2392 3.2605 3.4612 3.4764 4.9619 4.9710 6.2949 6.3042 6.5140 6.5274 6.6486 6.6522 6.9214 6.9267 k = 0.0690 0.0401 0.0979 ( 26782 PWs) bands (ev): -17.4385 -17.4385 -17.3494 -17.3493 -17.3091 -17.3091 -17.2716 -17.2716 -6.7978 -6.7911 -6.7373 -6.7263 -6.2766 -6.2711 -6.2075 -6.1791 -6.1262 -6.0884 -5.8764 -5.8491 -5.0220 -5.0114 -4.8800 -4.8497 -4.7939 -4.7770 -4.7604 -4.7362 -4.6541 -4.6405 -4.4795 -4.4541 -4.3711 -4.3677 -4.3149 -4.3100 2.8815 2.8962 2.9514 2.9680 3.1379 3.1539 3.1837 3.2023 3.2381 3.2557 3.4649 3.4771 4.9236 4.9311 6.3136 6.3229 6.5044 6.5173 6.6449 6.6475 6.9274 6.9314 k = 0.0517 0.0301 0.0734 ( 26797 PWs) bands (ev): -17.4393 -17.4393 -17.3494 -17.3494 -17.3089 -17.3089 -17.2710 -17.2710 -6.7953 -6.7902 -6.7338 -6.7254 -6.2773 -6.2732 -6.2034 -6.1808 -6.1244 -6.0948 -5.8719 -5.8513 -5.0222 -5.0142 -4.8738 -4.8494 -4.7943 -4.7839 -4.7614 -4.7429 -4.6518 -4.6415 -4.4760 -4.4569 -4.3705 -4.3681 -4.3139 -4.3100 2.8842 2.8962 2.9543 2.9684 3.1420 3.1573 3.1868 3.2033 3.2371 3.2511 3.4683 3.4775 4.8932 4.8989 6.3308 6.3396 6.4950 6.5066 6.6413 6.6431 6.9366 6.9396 k = 0.0345 0.0201 0.0489 ( 26809 PWs) bands (ev): -17.4399 -17.4399 -17.3494 -17.3494 -17.3088 -17.3088 -17.2705 -17.2705 -6.7932 -6.7899 -6.7308 -6.7252 -6.2777 -6.2750 -6.1992 -6.1835 -6.1213 -6.1010 -5.8677 -5.8539 -5.0220 -5.0167 -4.8675 -4.8502 -4.7951 -4.7894 -4.7612 -4.7486 -4.6497 -4.6427 -4.4726 -4.4598 -4.3700 -4.3685 -4.3129 -4.3103 2.8867 2.8952 2.9576 2.9677 3.1462 3.1582 3.1909 3.2039 3.2367 3.2468 3.4714 3.4775 4.8713 4.8752 6.3457 6.3529 6.4870 6.4962 6.6381 6.6392 6.9469 6.9490 k = 0.0172 0.0100 0.0245 ( 26810 PWs) bands (ev): -17.4403 -17.4402 -17.3495 -17.3495 -17.3087 -17.3087 -17.2702 -17.2702 -6.7917 -6.7900 -6.7284 -6.7256 -6.2776 -6.2763 -6.1949 -6.1869 -6.1172 -6.1068 -5.8638 -5.8568 -5.0213 -5.0187 -4.8615 -4.8524 -4.7956 -4.7931 -4.7596 -4.7533 -4.6476 -4.6442 -4.4693 -4.4629 -4.3696 -4.3689 -4.3121 -4.3107 2.8891 2.8935 2.9608 2.9661 3.1502 3.1567 3.1956 3.2029 3.2375 3.2429 3.4739 3.4770 4.8583 4.8603 6.3568 6.3611 6.4822 6.4875 6.6359 6.6365 6.9555 6.9566 k = 0.0000 0.0000 0.0000 ( 26833 PWs) bands (ev): -17.4404 -17.4404 -17.3495 -17.3495 -17.3086 -17.3086 -17.2701 -17.2701 -6.7906 -6.7906 -6.7267 -6.7267 -6.2772 -6.2772 -6.1907 -6.1907 -6.1123 -6.1123 -5.8601 -5.8601 -5.0202 -5.0202 -4.8563 -4.8563 -4.7951 -4.7951 -4.7570 -4.7570 -4.6458 -4.6458 -4.4660 -4.4660 -4.3693 -4.3693 -4.3113 -4.3113 2.8914 2.8914 2.9638 2.9638 3.1538 3.1538 3.2000 3.2000 3.2396 3.2396 3.4758 3.4758 4.8546 4.8546 6.3624 6.3624 6.4823 6.4823 6.6354 6.6354 6.9592 6.9592 Writing output data file Cs2Se.save init_run : 1.86s CPU 1.37s WALL ( 1 calls) electrons : 1299.02s CPU 991.22s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.00s WALL ( 1 calls) potinit : 0.16s CPU 0.20s WALL ( 1 calls) Called by electrons: c_bands : 1299.00s CPU 991.21s WALL ( 1 calls) v_of_rho : 0.03s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.03s CPU 0.02s WALL ( 1 calls) newd : 0.92s CPU 0.65s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.78s CPU 0.75s WALL ( 280 calls) cegterg : 1122.23s CPU 878.16s WALL ( 733 calls) Called by sum_band: Called by *egterg: h_psi : 970.13s CPU 672.11s WALL ( 12724 calls) s_psi : 17.60s CPU 16.75s WALL ( 12724 calls) g_psi : 0.99s CPU 1.01s WALL ( 11711 calls) cdiaghg : 166.38s CPU 163.75s WALL ( 11991 calls) cegterg:over : 30.46s CPU 30.39s WALL ( 11711 calls) cegterg:upda : 29.04s CPU 29.98s WALL ( 11711 calls) cegterg:last : 14.41s CPU 14.49s WALL ( 1573 calls) cdiaghg:chol : 7.62s CPU 7.30s WALL ( 11991 calls) cdiaghg:inve : 3.70s CPU 3.77s WALL ( 11991 calls) cdiaghg:para : 9.11s CPU 9.20s WALL ( 23982 calls) Called by h_psi: h_psi:vloc : 893.60s CPU 600.44s WALL ( 12724 calls) h_psi:vnl : 75.39s CPU 70.53s WALL ( 12724 calls) add_vuspsi : 43.12s CPU 40.27s WALL ( 12724 calls) General routines calbec : 32.17s CPU 30.21s WALL ( 12724 calls) fft : 0.10s CPU 0.05s WALL ( 15 calls) fftw : 857.29s CPU 566.92s WALL ( 1061564 calls) davcio : 0.48s CPU 2.93s WALL ( 560 calls) Parallel routines fft_scatter : 291.40s CPU 266.40s WALL ( 1061579 calls) PWSCF : 22m52.72s CPU 18m10.34s WALL This run was terminated on: 2:26:58 22Mar2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=