Program PWSCF v.5.1.1 starts on 20Jul2015 at 3:49:28 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 48 processors R & G space division: proc/nbgrp/npool/nimage = 48 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: ./MgF2.save/ file F.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2S renormalized file Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF: wavefunction(s) 2P 2P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: a serial algorithm will be used Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 47 29 8 2237 1057 164 Max 48 30 9 2244 1086 169 Sum 2291 1409 401 107557 51439 7981 bravais-lattice index = 14 lattice parameter (alat) = 7.5665 a.u. unit-cell volume = 839.7262 (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 = 59.0000 Ry charge density cutoff = 386.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 7.566463 celldm(2)= 1.304695 celldm(3)= 1.485764 celldm(4)= 0.000000 celldm(5)= 0.000000 celldm(6)= 0.000000 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.000000 1.304695 0.000000 ) a(3) = ( 0.000000 0.000000 1.485764 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.000000 -0.000000 ) b(2) = ( 0.000000 0.766462 -0.000000 ) b(3) = ( 0.000000 0.000000 0.673054 ) PseudoPot. # 1 for F read from file: /home/autes/Pseudo/F.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: ce20c52fa94def3fe434d52ed9f7ea44 Pseudo is Ultrasoft + core correction, Zval = 7.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1105 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 Mg read from file: /home/autes/Pseudo/Mg.rel-pbe-spnl-rrkjus_psl.1.0.0.UPF MD5 check sum: 99618f2d1dea131ec68d28ce241ef835 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1129 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 atomic species valence mass pseudopotential F 7.00 18.99840 F( 1.00) Mg 10.00 24.30500 Mg( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class: E 1 i 2 -E -1 -i -2 Cartesian axes number of k points= 301 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.5000000 -0.0000000 -0.0000000), wk = 0.0033223 k( 2) = ( 0.4875000 -0.0000000 -0.0000000), wk = 0.0033223 k( 3) = ( 0.4750000 -0.0000000 -0.0000000), wk = 0.0033223 k( 4) = ( 0.4625000 -0.0000000 -0.0000000), wk = 0.0033223 k( 5) = ( 0.4500000 -0.0000000 -0.0000000), wk = 0.0033223 k( 6) = ( 0.4375000 -0.0000000 -0.0000000), wk = 0.0033223 k( 7) = ( 0.4250000 -0.0000000 -0.0000000), wk = 0.0033223 k( 8) = ( 0.4125000 -0.0000000 -0.0000000), wk = 0.0033223 k( 9) = ( 0.4000000 -0.0000000 -0.0000000), wk = 0.0033223 k( 10) = ( 0.3875000 -0.0000000 -0.0000000), wk = 0.0033223 k( 11) = ( 0.3750000 -0.0000000 -0.0000000), wk = 0.0033223 k( 12) = ( 0.3625000 -0.0000000 -0.0000000), wk = 0.0033223 k( 13) = ( 0.3500000 -0.0000000 -0.0000000), wk = 0.0033223 k( 14) = ( 0.3375000 -0.0000000 -0.0000000), wk = 0.0033223 k( 15) = ( 0.3250000 -0.0000000 -0.0000000), wk = 0.0033223 k( 16) = ( 0.3125000 -0.0000000 -0.0000000), wk = 0.0033223 k( 17) = ( 0.3000000 -0.0000000 -0.0000000), wk = 0.0033223 k( 18) = ( 0.2875000 -0.0000000 -0.0000000), wk = 0.0033223 k( 19) = ( 0.2750000 -0.0000000 -0.0000000), wk = 0.0033223 k( 20) = ( 0.2625000 -0.0000000 -0.0000000), wk = 0.0033223 k( 21) = ( 0.2500000 -0.0000000 -0.0000000), wk = 0.0033223 k( 22) = ( 0.2375000 -0.0000000 -0.0000000), wk = 0.0033223 k( 23) = ( 0.2250000 -0.0000000 -0.0000000), wk = 0.0033223 k( 24) = ( 0.2125000 -0.0000000 -0.0000000), wk = 0.0033223 k( 25) = ( 0.2000000 -0.0000000 -0.0000000), wk = 0.0033223 k( 26) = ( 0.1875000 -0.0000000 -0.0000000), wk = 0.0033223 k( 27) = ( 0.1750000 -0.0000000 -0.0000000), wk = 0.0033223 k( 28) = ( 0.1625000 -0.0000000 -0.0000000), wk = 0.0033223 k( 29) = ( 0.1500000 -0.0000000 -0.0000000), wk = 0.0033223 k( 30) = ( 0.1375000 -0.0000000 -0.0000000), wk = 0.0033223 k( 31) = ( 0.1250000 -0.0000000 -0.0000000), wk = 0.0033223 k( 32) = ( 0.1125000 -0.0000000 -0.0000000), wk = 0.0033223 k( 33) = ( 0.1000000 -0.0000000 -0.0000000), wk = 0.0033223 k( 34) = ( 0.0875000 -0.0000000 -0.0000000), wk = 0.0033223 k( 35) = ( 0.0750000 -0.0000000 -0.0000000), wk = 0.0033223 k( 36) = ( 0.0625000 -0.0000000 -0.0000000), wk = 0.0033223 k( 37) = ( 0.0500000 -0.0000000 -0.0000000), wk = 0.0033223 k( 38) = ( 0.0375000 -0.0000000 -0.0000000), wk = 0.0033223 k( 39) = ( 0.0250000 -0.0000000 -0.0000000), wk = 0.0033223 k( 40) = ( 0.0125000 -0.0000000 -0.0000000), wk = 0.0033223 k( 41) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 42) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 43) = ( 0.0000000 0.0123623 -0.0000000), wk = 0.0033223 k( 44) = ( 0.0000000 0.0247246 -0.0000000), wk = 0.0033223 k( 45) = ( 0.0000000 0.0370869 -0.0000000), wk = 0.0033223 k( 46) = ( 0.0000000 0.0494492 -0.0000000), wk = 0.0033223 k( 47) = ( 0.0000000 0.0618115 -0.0000000), wk = 0.0033223 k( 48) = ( 0.0000000 0.0741738 -0.0000000), wk = 0.0033223 k( 49) = ( 0.0000000 0.0865361 -0.0000000), wk = 0.0033223 k( 50) = ( 0.0000000 0.0988984 -0.0000000), wk = 0.0033223 k( 51) = ( 0.0000000 0.1112607 -0.0000000), wk = 0.0033223 k( 52) = ( 0.0000000 0.1236230 -0.0000000), wk = 0.0033223 k( 53) = ( 0.0000000 0.1359853 -0.0000000), wk = 0.0033223 k( 54) = ( 0.0000000 0.1483476 -0.0000000), wk = 0.0033223 k( 55) = ( 0.0000000 0.1607099 -0.0000000), wk = 0.0033223 k( 56) = ( 0.0000000 0.1730722 -0.0000000), wk = 0.0033223 k( 57) = ( 0.0000000 0.1854345 -0.0000000), wk = 0.0033223 k( 58) = ( 0.0000000 0.1977968 -0.0000000), wk = 0.0033223 k( 59) = ( 0.0000000 0.2101591 -0.0000000), wk = 0.0033223 k( 60) = ( 0.0000000 0.2225214 -0.0000000), wk = 0.0033223 k( 61) = ( 0.0000000 0.2348837 -0.0000000), wk = 0.0033223 k( 62) = ( 0.0000000 0.2472460 -0.0000000), wk = 0.0033223 k( 63) = ( 0.0000000 0.2596083 -0.0000000), wk = 0.0033223 k( 64) = ( 0.0000000 0.2719706 -0.0000000), wk = 0.0033223 k( 65) = ( 0.0000000 0.2843329 -0.0000000), wk = 0.0033223 k( 66) = ( 0.0000000 0.2966952 -0.0000000), wk = 0.0033223 k( 67) = ( 0.0000000 0.3090575 -0.0000000), wk = 0.0033223 k( 68) = ( 0.0000000 0.3214198 -0.0000000), wk = 0.0033223 k( 69) = ( 0.0000000 0.3337820 -0.0000000), wk = 0.0033223 k( 70) = ( 0.0000000 0.3461443 -0.0000000), wk = 0.0033223 k( 71) = ( 0.0000000 0.3585066 -0.0000000), wk = 0.0033223 k( 72) = ( 0.0000000 0.3708689 -0.0000000), wk = 0.0033223 k( 73) = ( 0.0000000 0.3832312 -0.0000000), wk = 0.0033223 k( 74) = ( 0.5000000 0.3832312 -0.0000000), wk = 0.0033223 k( 75) = ( 0.4900000 0.3755666 -0.0000000), wk = 0.0033223 k( 76) = ( 0.4800000 0.3679020 -0.0000000), wk = 0.0033223 k( 77) = ( 0.4700000 0.3602374 -0.0000000), wk = 0.0033223 k( 78) = ( 0.4600000 0.3525727 -0.0000000), wk = 0.0033223 k( 79) = ( 0.4500000 0.3449081 -0.0000000), wk = 0.0033223 k( 80) = ( 0.4400000 0.3372435 -0.0000000), wk = 0.0033223 k( 81) = ( 0.4300000 0.3295789 -0.0000000), wk = 0.0033223 k( 82) = ( 0.4200000 0.3219142 -0.0000000), wk = 0.0033223 k( 83) = ( 0.4100000 0.3142496 -0.0000000), wk = 0.0033223 k( 84) = ( 0.4000000 0.3065850 -0.0000000), wk = 0.0033223 k( 85) = ( 0.3900000 0.2989204 -0.0000000), wk = 0.0033223 k( 86) = ( 0.3800000 0.2912557 -0.0000000), wk = 0.0033223 k( 87) = ( 0.3700000 0.2835911 -0.0000000), wk = 0.0033223 k( 88) = ( 0.3600000 0.2759265 -0.0000000), wk = 0.0033223 k( 89) = ( 0.3500000 0.2682619 -0.0000000), wk = 0.0033223 k( 90) = ( 0.3400000 0.2605972 -0.0000000), wk = 0.0033223 k( 91) = ( 0.3300000 0.2529326 -0.0000000), wk = 0.0033223 k( 92) = ( 0.3200000 0.2452680 -0.0000000), wk = 0.0033223 k( 93) = ( 0.3100000 0.2376034 -0.0000000), wk = 0.0033223 k( 94) = ( 0.3000000 0.2299387 -0.0000000), wk = 0.0033223 k( 95) = ( 0.2900000 0.2222741 -0.0000000), wk = 0.0033223 k( 96) = ( 0.2800000 0.2146095 -0.0000000), wk = 0.0033223 k( 97) = ( 0.2700000 0.2069449 -0.0000000), wk = 0.0033223 k( 98) = ( 0.2600000 0.1992802 -0.0000000), wk = 0.0033223 k( 99) = ( 0.2500000 0.1916156 -0.0000000), wk = 0.0033223 k( 100) = ( 0.2400000 0.1839510 -0.0000000), wk = 0.0033223 k( 101) = ( 0.2300000 0.1762864 -0.0000000), wk = 0.0033223 k( 102) = ( 0.2200000 0.1686217 -0.0000000), wk = 0.0033223 k( 103) = ( 0.2100000 0.1609571 -0.0000000), wk = 0.0033223 k( 104) = ( 0.2000000 0.1532925 -0.0000000), wk = 0.0033223 k( 105) = ( 0.1900000 0.1456279 -0.0000000), wk = 0.0033223 k( 106) = ( 0.1800000 0.1379632 -0.0000000), wk = 0.0033223 k( 107) = ( 0.1700000 0.1302986 -0.0000000), wk = 0.0033223 k( 108) = ( 0.1600000 0.1226340 -0.0000000), wk = 0.0033223 k( 109) = ( 0.1500000 0.1149694 -0.0000000), wk = 0.0033223 k( 110) = ( 0.1400000 0.1073047 -0.0000000), wk = 0.0033223 k( 111) = ( 0.1300000 0.0996401 -0.0000000), wk = 0.0033223 k( 112) = ( 0.1200000 0.0919755 -0.0000000), wk = 0.0033223 k( 113) = ( 0.1100000 0.0843109 -0.0000000), wk = 0.0033223 k( 114) = ( 0.1000000 0.0766462 -0.0000000), wk = 0.0033223 k( 115) = ( 0.0900000 0.0689816 -0.0000000), wk = 0.0033223 k( 116) = ( 0.0800000 0.0613170 -0.0000000), wk = 0.0033223 k( 117) = ( 0.0700000 0.0536524 -0.0000000), wk = 0.0033223 k( 118) = ( 0.0600000 0.0459877 -0.0000000), wk = 0.0033223 k( 119) = ( 0.0500000 0.0383231 -0.0000000), wk = 0.0033223 k( 120) = ( 0.0400000 0.0306585 -0.0000000), wk = 0.0033223 k( 121) = ( 0.0300000 0.0229939 -0.0000000), wk = 0.0033223 k( 122) = ( 0.0200000 0.0153292 -0.0000000), wk = 0.0033223 k( 123) = ( 0.0100000 0.0076646 -0.0000000), wk = 0.0033223 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 126) = ( 0.0000000 0.0000000 0.0124640), wk = 0.0033223 k( 127) = ( 0.0000000 0.0000000 0.0249279), wk = 0.0033223 k( 128) = ( 0.0000000 0.0000000 0.0373919), wk = 0.0033223 k( 129) = ( 0.0000000 0.0000000 0.0498559), wk = 0.0033223 k( 130) = ( 0.0000000 0.0000000 0.0623198), wk = 0.0033223 k( 131) = ( 0.0000000 0.0000000 0.0747838), wk = 0.0033223 k( 132) = ( 0.0000000 0.0000000 0.0872478), wk = 0.0033223 k( 133) = ( 0.0000000 0.0000000 0.0997117), wk = 0.0033223 k( 134) = ( 0.0000000 0.0000000 0.1121757), wk = 0.0033223 k( 135) = ( 0.0000000 0.0000000 0.1246397), wk = 0.0033223 k( 136) = ( 0.0000000 0.0000000 0.1371037), wk = 0.0033223 k( 137) = ( 0.0000000 0.0000000 0.1495676), wk = 0.0033223 k( 138) = ( 0.0000000 0.0000000 0.1620316), wk = 0.0033223 k( 139) = ( 0.0000000 0.0000000 0.1744956), wk = 0.0033223 k( 140) = ( 0.0000000 0.0000000 0.1869595), wk = 0.0033223 k( 141) = ( 0.0000000 0.0000000 0.1994235), wk = 0.0033223 k( 142) = ( 0.0000000 0.0000000 0.2118875), wk = 0.0033223 k( 143) = ( 0.0000000 0.0000000 0.2243514), wk = 0.0033223 k( 144) = ( 0.0000000 0.0000000 0.2368154), wk = 0.0033223 k( 145) = ( 0.0000000 0.0000000 0.2492794), wk = 0.0033223 k( 146) = ( 0.0000000 0.0000000 0.2617433), wk = 0.0033223 k( 147) = ( 0.0000000 0.0000000 0.2742073), wk = 0.0033223 k( 148) = ( 0.0000000 0.0000000 0.2866713), wk = 0.0033223 k( 149) = ( 0.0000000 0.0000000 0.2991352), wk = 0.0033223 k( 150) = ( 0.0000000 0.0000000 0.3115992), wk = 0.0033223 k( 151) = ( 0.0000000 0.0000000 0.3240632), wk = 0.0033223 k( 152) = ( 0.0000000 0.0000000 0.3365271), wk = 0.0033223 k( 153) = ( 0.5000000 -0.0000000 0.3365271), wk = 0.0033223 k( 154) = ( 0.4895833 -0.0000000 0.3295162), wk = 0.0033223 k( 155) = ( 0.4791667 -0.0000000 0.3225052), wk = 0.0033223 k( 156) = ( 0.4687500 -0.0000000 0.3154942), wk = 0.0033223 k( 157) = ( 0.4583333 -0.0000000 0.3084832), wk = 0.0033223 k( 158) = ( 0.4479167 -0.0000000 0.3014722), wk = 0.0033223 k( 159) = ( 0.4375000 -0.0000000 0.2944613), wk = 0.0033223 k( 160) = ( 0.4270833 -0.0000000 0.2874503), wk = 0.0033223 k( 161) = ( 0.4166667 -0.0000000 0.2804393), wk = 0.0033223 k( 162) = ( 0.4062500 -0.0000000 0.2734283), wk = 0.0033223 k( 163) = ( 0.3958333 -0.0000000 0.2664173), wk = 0.0033223 k( 164) = ( 0.3854167 -0.0000000 0.2594063), wk = 0.0033223 k( 165) = ( 0.3750000 -0.0000000 0.2523954), wk = 0.0033223 k( 166) = ( 0.3645833 -0.0000000 0.2453844), wk = 0.0033223 k( 167) = ( 0.3541667 -0.0000000 0.2383734), wk = 0.0033223 k( 168) = ( 0.3437500 -0.0000000 0.2313624), wk = 0.0033223 k( 169) = ( 0.3333333 -0.0000000 0.2243514), wk = 0.0033223 k( 170) = ( 0.3229167 -0.0000000 0.2173405), wk = 0.0033223 k( 171) = ( 0.3125000 -0.0000000 0.2103295), wk = 0.0033223 k( 172) = ( 0.3020833 -0.0000000 0.2033185), wk = 0.0033223 k( 173) = ( 0.2916667 -0.0000000 0.1963075), wk = 0.0033223 k( 174) = ( 0.2812500 -0.0000000 0.1892965), wk = 0.0033223 k( 175) = ( 0.2708333 -0.0000000 0.1822855), wk = 0.0033223 k( 176) = ( 0.2604167 -0.0000000 0.1752746), wk = 0.0033223 k( 177) = ( 0.2500000 -0.0000000 0.1682636), wk = 0.0033223 k( 178) = ( 0.2395833 -0.0000000 0.1612526), wk = 0.0033223 k( 179) = ( 0.2291667 -0.0000000 0.1542416), wk = 0.0033223 k( 180) = ( 0.2187500 -0.0000000 0.1472306), wk = 0.0033223 k( 181) = ( 0.2083333 -0.0000000 0.1402196), wk = 0.0033223 k( 182) = ( 0.1979167 -0.0000000 0.1332087), wk = 0.0033223 k( 183) = ( 0.1875000 -0.0000000 0.1261977), wk = 0.0033223 k( 184) = ( 0.1770833 -0.0000000 0.1191867), wk = 0.0033223 k( 185) = ( 0.1666667 -0.0000000 0.1121757), wk = 0.0033223 k( 186) = ( 0.1562500 -0.0000000 0.1051647), wk = 0.0033223 k( 187) = ( 0.1458333 -0.0000000 0.0981537), wk = 0.0033223 k( 188) = ( 0.1354167 -0.0000000 0.0911428), wk = 0.0033223 k( 189) = ( 0.1250000 -0.0000000 0.0841318), wk = 0.0033223 k( 190) = ( 0.1145833 -0.0000000 0.0771208), wk = 0.0033223 k( 191) = ( 0.1041667 -0.0000000 0.0701098), wk = 0.0033223 k( 192) = ( 0.0937500 -0.0000000 0.0630988), wk = 0.0033223 k( 193) = ( 0.0833333 -0.0000000 0.0560879), wk = 0.0033223 k( 194) = ( 0.0729167 -0.0000000 0.0490769), wk = 0.0033223 k( 195) = ( 0.0625000 -0.0000000 0.0420659), wk = 0.0033223 k( 196) = ( 0.0520833 -0.0000000 0.0350549), wk = 0.0033223 k( 197) = ( 0.0416667 -0.0000000 0.0280439), wk = 0.0033223 k( 198) = ( 0.0312500 -0.0000000 0.0210329), wk = 0.0033223 k( 199) = ( 0.0208333 -0.0000000 0.0140220), wk = 0.0033223 k( 200) = ( 0.0104167 -0.0000000 0.0070110), wk = 0.0033223 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 203) = ( 0.0000000 0.0093471 0.0082080), wk = 0.0033223 k( 204) = ( 0.0000000 0.0186942 0.0164160), wk = 0.0033223 k( 205) = ( 0.0000000 0.0280413 0.0246239), wk = 0.0033223 k( 206) = ( 0.0000000 0.0373884 0.0328319), wk = 0.0033223 k( 207) = ( 0.0000000 0.0467355 0.0410399), wk = 0.0033223 k( 208) = ( 0.0000000 0.0560826 0.0492479), wk = 0.0033223 k( 209) = ( 0.0000000 0.0654297 0.0574559), wk = 0.0033223 k( 210) = ( 0.0000000 0.0747768 0.0656638), wk = 0.0033223 k( 211) = ( 0.0000000 0.0841239 0.0738718), wk = 0.0033223 k( 212) = ( 0.0000000 0.0934710 0.0820798), wk = 0.0033223 k( 213) = ( 0.0000000 0.1028181 0.0902878), wk = 0.0033223 k( 214) = ( 0.0000000 0.1121652 0.0984957), wk = 0.0033223 k( 215) = ( 0.0000000 0.1215123 0.1067037), wk = 0.0033223 k( 216) = ( 0.0000000 0.1308595 0.1149117), wk = 0.0033223 k( 217) = ( 0.0000000 0.1402066 0.1231197), wk = 0.0033223 k( 218) = ( 0.0000000 0.1495537 0.1313277), wk = 0.0033223 k( 219) = ( 0.0000000 0.1589008 0.1395356), wk = 0.0033223 k( 220) = ( 0.0000000 0.1682479 0.1477436), wk = 0.0033223 k( 221) = ( 0.0000000 0.1775950 0.1559516), wk = 0.0033223 k( 222) = ( 0.0000000 0.1869421 0.1641596), wk = 0.0033223 k( 223) = ( 0.0000000 0.1962892 0.1723676), wk = 0.0033223 k( 224) = ( 0.0000000 0.2056363 0.1805755), wk = 0.0033223 k( 225) = ( 0.0000000 0.2149834 0.1887835), wk = 0.0033223 k( 226) = ( 0.0000000 0.2243305 0.1969915), wk = 0.0033223 k( 227) = ( 0.0000000 0.2336776 0.2051995), wk = 0.0033223 k( 228) = ( 0.0000000 0.2430247 0.2134075), wk = 0.0033223 k( 229) = ( 0.0000000 0.2523718 0.2216154), wk = 0.0033223 k( 230) = ( 0.0000000 0.2617189 0.2298234), wk = 0.0033223 k( 231) = ( 0.0000000 0.2710660 0.2380314), wk = 0.0033223 k( 232) = ( 0.0000000 0.2804131 0.2462394), wk = 0.0033223 k( 233) = ( 0.0000000 0.2897602 0.2544474), wk = 0.0033223 k( 234) = ( 0.0000000 0.2991073 0.2626553), wk = 0.0033223 k( 235) = ( 0.0000000 0.3084544 0.2708633), wk = 0.0033223 k( 236) = ( 0.0000000 0.3178015 0.2790713), wk = 0.0033223 k( 237) = ( 0.0000000 0.3271486 0.2872793), wk = 0.0033223 k( 238) = ( 0.0000000 0.3364957 0.2954873), wk = 0.0033223 k( 239) = ( 0.0000000 0.3458428 0.3036952), wk = 0.0033223 k( 240) = ( 0.0000000 0.3551899 0.3119032), wk = 0.0033223 k( 241) = ( 0.0000000 0.3645370 0.3201112), wk = 0.0033223 k( 242) = ( 0.0000000 0.3738841 0.3283192), wk = 0.0033223 k( 243) = ( 0.0000000 0.3832312 0.3365271), wk = 0.0033223 k( 244) = ( 0.5000000 0.3832312 0.3365271), wk = 0.0033223 k( 245) = ( 0.4912281 0.3765079 0.3306232), wk = 0.0033223 k( 246) = ( 0.4824561 0.3697845 0.3247192), wk = 0.0033223 k( 247) = ( 0.4736842 0.3630612 0.3188152), wk = 0.0033223 k( 248) = ( 0.4649123 0.3563378 0.3129112), wk = 0.0033223 k( 249) = ( 0.4561404 0.3496145 0.3070072), wk = 0.0033223 k( 250) = ( 0.4473684 0.3428911 0.3011032), wk = 0.0033223 k( 251) = ( 0.4385965 0.3361678 0.2951993), wk = 0.0033223 k( 252) = ( 0.4298246 0.3294444 0.2892953), wk = 0.0033223 k( 253) = ( 0.4210526 0.3227210 0.2833913), wk = 0.0033223 k( 254) = ( 0.4122807 0.3159977 0.2774873), wk = 0.0033223 k( 255) = ( 0.4035088 0.3092743 0.2715833), wk = 0.0033223 k( 256) = ( 0.3947368 0.3025510 0.2656793), wk = 0.0033223 k( 257) = ( 0.3859649 0.2958276 0.2597753), wk = 0.0033223 k( 258) = ( 0.3771930 0.2891043 0.2538714), wk = 0.0033223 k( 259) = ( 0.3684211 0.2823809 0.2479674), wk = 0.0033223 k( 260) = ( 0.3596491 0.2756576 0.2420634), wk = 0.0033223 k( 261) = ( 0.3508772 0.2689342 0.2361594), wk = 0.0033223 k( 262) = ( 0.3421053 0.2622108 0.2302554), wk = 0.0033223 k( 263) = ( 0.3333333 0.2554875 0.2243514), wk = 0.0033223 k( 264) = ( 0.3245614 0.2487641 0.2184474), wk = 0.0033223 k( 265) = ( 0.3157895 0.2420408 0.2125435), wk = 0.0033223 k( 266) = ( 0.3070175 0.2353174 0.2066395), wk = 0.0033223 k( 267) = ( 0.2982456 0.2285941 0.2007355), wk = 0.0033223 k( 268) = ( 0.2894737 0.2218707 0.1948315), wk = 0.0033223 k( 269) = ( 0.2807018 0.2151474 0.1889275), wk = 0.0033223 k( 270) = ( 0.2719298 0.2084240 0.1830235), wk = 0.0033223 k( 271) = ( 0.2631579 0.2017006 0.1771195), wk = 0.0033223 k( 272) = ( 0.2543860 0.1949773 0.1712156), wk = 0.0033223 k( 273) = ( 0.2456140 0.1882539 0.1653116), wk = 0.0033223 k( 274) = ( 0.2368421 0.1815306 0.1594076), wk = 0.0033223 k( 275) = ( 0.2280702 0.1748072 0.1535036), wk = 0.0033223 k( 276) = ( 0.2192983 0.1680839 0.1475996), wk = 0.0033223 k( 277) = ( 0.2105263 0.1613605 0.1416956), wk = 0.0033223 k( 278) = ( 0.2017544 0.1546372 0.1357917), wk = 0.0033223 k( 279) = ( 0.1929825 0.1479138 0.1298877), wk = 0.0033223 k( 280) = ( 0.1842105 0.1411905 0.1239837), wk = 0.0033223 k( 281) = ( 0.1754386 0.1344671 0.1180797), wk = 0.0033223 k( 282) = ( 0.1666667 0.1277437 0.1121757), wk = 0.0033223 k( 283) = ( 0.1578947 0.1210204 0.1062717), wk = 0.0033223 k( 284) = ( 0.1491228 0.1142970 0.1003677), wk = 0.0033223 k( 285) = ( 0.1403509 0.1075737 0.0944638), wk = 0.0033223 k( 286) = ( 0.1315790 0.1008503 0.0885598), wk = 0.0033223 k( 287) = ( 0.1228070 0.0941270 0.0826558), wk = 0.0033223 k( 288) = ( 0.1140351 0.0874036 0.0767518), wk = 0.0033223 k( 289) = ( 0.1052632 0.0806803 0.0708478), wk = 0.0033223 k( 290) = ( 0.0964912 0.0739569 0.0649438), wk = 0.0033223 k( 291) = ( 0.0877193 0.0672336 0.0590399), wk = 0.0033223 k( 292) = ( 0.0789474 0.0605102 0.0531359), wk = 0.0033223 k( 293) = ( 0.0701754 0.0537868 0.0472319), wk = 0.0033223 k( 294) = ( 0.0614035 0.0470635 0.0413279), wk = 0.0033223 k( 295) = ( 0.0526316 0.0403401 0.0354239), wk = 0.0033223 k( 296) = ( 0.0438597 0.0336168 0.0295199), wk = 0.0033223 k( 297) = ( 0.0350877 0.0268934 0.0236159), wk = 0.0033223 k( 298) = ( 0.0263158 0.0201701 0.0177120), wk = 0.0033223 k( 299) = ( 0.0175439 0.0134467 0.0118080), wk = 0.0033223 k( 300) = ( 0.0087719 0.0067234 0.0059040), wk = 0.0033223 k( 301) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 cryst. coord. k( 1) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0033223 k( 2) = ( 0.4875000 0.0000000 -0.0000000), wk = 0.0033223 k( 3) = ( 0.4750000 0.0000000 -0.0000000), wk = 0.0033223 k( 4) = ( 0.4625000 0.0000000 -0.0000000), wk = 0.0033223 k( 5) = ( 0.4500000 0.0000000 0.0000000), wk = 0.0033223 k( 6) = ( 0.4375000 0.0000000 0.0000000), wk = 0.0033223 k( 7) = ( 0.4250000 0.0000000 0.0000000), wk = 0.0033223 k( 8) = ( 0.4125000 0.0000000 0.0000000), wk = 0.0033223 k( 9) = ( 0.4000000 0.0000000 0.0000000), wk = 0.0033223 k( 10) = ( 0.3875000 0.0000000 0.0000000), wk = 0.0033223 k( 11) = ( 0.3750000 0.0000000 0.0000000), wk = 0.0033223 k( 12) = ( 0.3625000 0.0000000 -0.0000000), wk = 0.0033223 k( 13) = ( 0.3500000 0.0000000 -0.0000000), wk = 0.0033223 k( 14) = ( 0.3375000 0.0000000 -0.0000000), wk = 0.0033223 k( 15) = ( 0.3250000 0.0000000 0.0000000), wk = 0.0033223 k( 16) = ( 0.3125000 0.0000000 -0.0000000), wk = 0.0033223 k( 17) = ( 0.3000000 0.0000000 0.0000000), wk = 0.0033223 k( 18) = ( 0.2875000 -0.0000000 0.0000000), wk = 0.0033223 k( 19) = ( 0.2750000 -0.0000000 -0.0000000), wk = 0.0033223 k( 20) = ( 0.2625000 0.0000000 0.0000000), wk = 0.0033223 k( 21) = ( 0.2500000 0.0000000 -0.0000000), wk = 0.0033223 k( 22) = ( 0.2375000 0.0000000 -0.0000000), wk = 0.0033223 k( 23) = ( 0.2250000 0.0000000 0.0000000), wk = 0.0033223 k( 24) = ( 0.2125000 0.0000000 0.0000000), wk = 0.0033223 k( 25) = ( 0.2000000 0.0000000 0.0000000), wk = 0.0033223 k( 26) = ( 0.1875000 0.0000000 0.0000000), wk = 0.0033223 k( 27) = ( 0.1750000 0.0000000 -0.0000000), wk = 0.0033223 k( 28) = ( 0.1625000 0.0000000 0.0000000), wk = 0.0033223 k( 29) = ( 0.1500000 0.0000000 0.0000000), wk = 0.0033223 k( 30) = ( 0.1375000 -0.0000000 -0.0000000), wk = 0.0033223 k( 31) = ( 0.1250000 0.0000000 -0.0000000), wk = 0.0033223 k( 32) = ( 0.1125000 0.0000000 0.0000000), wk = 0.0033223 k( 33) = ( 0.1000000 0.0000000 0.0000000), wk = 0.0033223 k( 34) = ( 0.0875000 0.0000000 -0.0000000), wk = 0.0033223 k( 35) = ( 0.0750000 0.0000000 0.0000000), wk = 0.0033223 k( 36) = ( 0.0625000 0.0000000 -0.0000000), wk = 0.0033223 k( 37) = ( 0.0500000 0.0000000 0.0000000), wk = 0.0033223 k( 38) = ( 0.0375000 0.0000000 0.0000000), wk = 0.0033223 k( 39) = ( 0.0250000 0.0000000 0.0000000), wk = 0.0033223 k( 40) = ( 0.0125000 0.0000000 0.0000000), wk = 0.0033223 k( 41) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 42) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 43) = ( 0.0000000 0.0161290 0.0000000), wk = 0.0033223 k( 44) = ( 0.0000000 0.0322581 0.0000000), wk = 0.0033223 k( 45) = ( 0.0000000 0.0483871 0.0000000), wk = 0.0033223 k( 46) = ( 0.0000000 0.0645161 0.0000000), wk = 0.0033223 k( 47) = ( 0.0000000 0.0806452 0.0000000), wk = 0.0033223 k( 48) = ( 0.0000000 0.0967742 0.0000000), wk = 0.0033223 k( 49) = ( 0.0000000 0.1129032 0.0000000), wk = 0.0033223 k( 50) = ( 0.0000000 0.1290323 0.0000000), wk = 0.0033223 k( 51) = ( 0.0000000 0.1451613 0.0000000), wk = 0.0033223 k( 52) = ( 0.0000000 0.1612903 0.0000000), wk = 0.0033223 k( 53) = ( 0.0000000 0.1774194 0.0000000), wk = 0.0033223 k( 54) = ( 0.0000000 0.1935484 0.0000000), wk = 0.0033223 k( 55) = ( 0.0000000 0.2096774 0.0000000), wk = 0.0033223 k( 56) = ( 0.0000000 0.2258065 0.0000000), wk = 0.0033223 k( 57) = ( 0.0000000 0.2419355 0.0000000), wk = 0.0033223 k( 58) = ( 0.0000000 0.2580645 0.0000000), wk = 0.0033223 k( 59) = ( 0.0000000 0.2741936 0.0000000), wk = 0.0033223 k( 60) = ( 0.0000000 0.2903226 0.0000000), wk = 0.0033223 k( 61) = ( 0.0000000 0.3064516 0.0000000), wk = 0.0033223 k( 62) = ( 0.0000000 0.3225807 0.0000000), wk = 0.0033223 k( 63) = ( 0.0000000 0.3387097 0.0000000), wk = 0.0033223 k( 64) = ( 0.0000000 0.3548387 0.0000000), wk = 0.0033223 k( 65) = ( 0.0000000 0.3709677 0.0000000), wk = 0.0033223 k( 66) = ( 0.0000000 0.3870968 0.0000000), wk = 0.0033223 k( 67) = ( 0.0000000 0.4032258 0.0000000), wk = 0.0033223 k( 68) = ( 0.0000000 0.4193548 0.0000000), wk = 0.0033223 k( 69) = ( 0.0000000 0.4354839 0.0000000), wk = 0.0033223 k( 70) = ( 0.0000000 0.4516129 0.0000000), wk = 0.0033223 k( 71) = ( 0.0000000 0.4677419 0.0000000), wk = 0.0033223 k( 72) = ( 0.0000000 0.4838710 0.0000000), wk = 0.0033223 k( 73) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0033223 k( 74) = ( 0.5000000 0.5000000 0.0000000), wk = 0.0033223 k( 75) = ( 0.4900000 0.4900000 0.0000000), wk = 0.0033223 k( 76) = ( 0.4800000 0.4800000 0.0000000), wk = 0.0033223 k( 77) = ( 0.4700000 0.4700000 0.0000000), wk = 0.0033223 k( 78) = ( 0.4600000 0.4600000 0.0000000), wk = 0.0033223 k( 79) = ( 0.4500000 0.4500000 0.0000000), wk = 0.0033223 k( 80) = ( 0.4400000 0.4400000 0.0000000), wk = 0.0033223 k( 81) = ( 0.4300000 0.4300000 0.0000000), wk = 0.0033223 k( 82) = ( 0.4200000 0.4200000 0.0000000), wk = 0.0033223 k( 83) = ( 0.4100000 0.4100000 -0.0000000), wk = 0.0033223 k( 84) = ( 0.4000000 0.4000000 -0.0000000), wk = 0.0033223 k( 85) = ( 0.3900000 0.3900000 -0.0000000), wk = 0.0033223 k( 86) = ( 0.3800000 0.3800000 0.0000000), wk = 0.0033223 k( 87) = ( 0.3700000 0.3700000 -0.0000000), wk = 0.0033223 k( 88) = ( 0.3600000 0.3600000 0.0000000), wk = 0.0033223 k( 89) = ( 0.3500000 0.3500000 -0.0000000), wk = 0.0033223 k( 90) = ( 0.3400000 0.3400000 0.0000000), wk = 0.0033223 k( 91) = ( 0.3300000 0.3300000 -0.0000000), wk = 0.0033223 k( 92) = ( 0.3200000 0.3200000 0.0000000), wk = 0.0033223 k( 93) = ( 0.3100000 0.3100000 0.0000000), wk = 0.0033223 k( 94) = ( 0.3000000 0.3000000 0.0000000), wk = 0.0033223 k( 95) = ( 0.2900000 0.2900000 -0.0000000), wk = 0.0033223 k( 96) = ( 0.2800000 0.2800000 0.0000000), wk = 0.0033223 k( 97) = ( 0.2700000 0.2700000 0.0000000), wk = 0.0033223 k( 98) = ( 0.2600000 0.2600000 0.0000000), wk = 0.0033223 k( 99) = ( 0.2500000 0.2500000 0.0000000), wk = 0.0033223 k( 100) = ( 0.2400000 0.2400000 0.0000000), wk = 0.0033223 k( 101) = ( 0.2300000 0.2300000 0.0000000), wk = 0.0033223 k( 102) = ( 0.2200000 0.2200000 0.0000000), wk = 0.0033223 k( 103) = ( 0.2100000 0.2100000 0.0000000), wk = 0.0033223 k( 104) = ( 0.2000000 0.2000000 -0.0000000), wk = 0.0033223 k( 105) = ( 0.1900000 0.1900000 0.0000000), wk = 0.0033223 k( 106) = ( 0.1800000 0.1800000 0.0000000), wk = 0.0033223 k( 107) = ( 0.1700000 0.1700000 0.0000000), wk = 0.0033223 k( 108) = ( 0.1600000 0.1600000 0.0000000), wk = 0.0033223 k( 109) = ( 0.1500000 0.1500000 0.0000000), wk = 0.0033223 k( 110) = ( 0.1400000 0.1400000 0.0000000), wk = 0.0033223 k( 111) = ( 0.1300000 0.1300000 0.0000000), wk = 0.0033223 k( 112) = ( 0.1200000 0.1200000 0.0000000), wk = 0.0033223 k( 113) = ( 0.1100000 0.1100000 0.0000000), wk = 0.0033223 k( 114) = ( 0.1000000 0.1000000 -0.0000000), wk = 0.0033223 k( 115) = ( 0.0900000 0.0900000 0.0000000), wk = 0.0033223 k( 116) = ( 0.0800000 0.0800000 0.0000000), wk = 0.0033223 k( 117) = ( 0.0700000 0.0700000 0.0000000), wk = 0.0033223 k( 118) = ( 0.0600000 0.0600000 0.0000000), wk = 0.0033223 k( 119) = ( 0.0500000 0.0500000 -0.0000000), wk = 0.0033223 k( 120) = ( 0.0400000 0.0400000 0.0000000), wk = 0.0033223 k( 121) = ( 0.0300000 0.0300000 0.0000000), wk = 0.0033223 k( 122) = ( 0.0200000 0.0200000 0.0000000), wk = 0.0033223 k( 123) = ( 0.0100000 0.0100000 0.0000000), wk = 0.0033223 k( 124) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 125) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 126) = ( 0.0000000 0.0000000 0.0185185), wk = 0.0033223 k( 127) = ( 0.0000000 0.0000000 0.0370370), wk = 0.0033223 k( 128) = ( 0.0000000 0.0000000 0.0555556), wk = 0.0033223 k( 129) = ( 0.0000000 0.0000000 0.0740741), wk = 0.0033223 k( 130) = ( 0.0000000 0.0000000 0.0925926), wk = 0.0033223 k( 131) = ( 0.0000000 0.0000000 0.1111111), wk = 0.0033223 k( 132) = ( 0.0000000 0.0000000 0.1296296), wk = 0.0033223 k( 133) = ( 0.0000000 0.0000000 0.1481481), wk = 0.0033223 k( 134) = ( 0.0000000 0.0000000 0.1666667), wk = 0.0033223 k( 135) = ( 0.0000000 0.0000000 0.1851852), wk = 0.0033223 k( 136) = ( 0.0000000 0.0000000 0.2037037), wk = 0.0033223 k( 137) = ( 0.0000000 0.0000000 0.2222222), wk = 0.0033223 k( 138) = ( 0.0000000 0.0000000 0.2407407), wk = 0.0033223 k( 139) = ( 0.0000000 0.0000000 0.2592593), wk = 0.0033223 k( 140) = ( 0.0000000 0.0000000 0.2777778), wk = 0.0033223 k( 141) = ( 0.0000000 0.0000000 0.2962963), wk = 0.0033223 k( 142) = ( 0.0000000 0.0000000 0.3148148), wk = 0.0033223 k( 143) = ( 0.0000000 0.0000000 0.3333333), wk = 0.0033223 k( 144) = ( 0.0000000 0.0000000 0.3518519), wk = 0.0033223 k( 145) = ( 0.0000000 0.0000000 0.3703704), wk = 0.0033223 k( 146) = ( 0.0000000 0.0000000 0.3888889), wk = 0.0033223 k( 147) = ( 0.0000000 0.0000000 0.4074074), wk = 0.0033223 k( 148) = ( 0.0000000 0.0000000 0.4259259), wk = 0.0033223 k( 149) = ( 0.0000000 0.0000000 0.4444444), wk = 0.0033223 k( 150) = ( 0.0000000 0.0000000 0.4629630), wk = 0.0033223 k( 151) = ( 0.0000000 0.0000000 0.4814815), wk = 0.0033223 k( 152) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0033223 k( 153) = ( 0.5000000 0.0000000 0.5000000), wk = 0.0033223 k( 154) = ( 0.4895833 -0.0000000 0.4895833), wk = 0.0033223 k( 155) = ( 0.4791667 -0.0000000 0.4791667), wk = 0.0033223 k( 156) = ( 0.4687500 0.0000000 0.4687500), wk = 0.0033223 k( 157) = ( 0.4583333 0.0000000 0.4583333), wk = 0.0033223 k( 158) = ( 0.4479167 0.0000000 0.4479167), wk = 0.0033223 k( 159) = ( 0.4375000 0.0000000 0.4375000), wk = 0.0033223 k( 160) = ( 0.4270833 0.0000000 0.4270833), wk = 0.0033223 k( 161) = ( 0.4166667 0.0000000 0.4166667), wk = 0.0033223 k( 162) = ( 0.4062500 0.0000000 0.4062500), wk = 0.0033223 k( 163) = ( 0.3958333 0.0000000 0.3958333), wk = 0.0033223 k( 164) = ( 0.3854167 0.0000000 0.3854167), wk = 0.0033223 k( 165) = ( 0.3750000 0.0000000 0.3750000), wk = 0.0033223 k( 166) = ( 0.3645833 -0.0000000 0.3645833), wk = 0.0033223 k( 167) = ( 0.3541667 -0.0000000 0.3541667), wk = 0.0033223 k( 168) = ( 0.3437500 0.0000000 0.3437500), wk = 0.0033223 k( 169) = ( 0.3333333 0.0000000 0.3333333), wk = 0.0033223 k( 170) = ( 0.3229167 0.0000000 0.3229167), wk = 0.0033223 k( 171) = ( 0.3125000 0.0000000 0.3125000), wk = 0.0033223 k( 172) = ( 0.3020833 0.0000000 0.3020833), wk = 0.0033223 k( 173) = ( 0.2916667 0.0000000 0.2916667), wk = 0.0033223 k( 174) = ( 0.2812500 -0.0000000 0.2812500), wk = 0.0033223 k( 175) = ( 0.2708333 0.0000000 0.2708333), wk = 0.0033223 k( 176) = ( 0.2604167 0.0000000 0.2604167), wk = 0.0033223 k( 177) = ( 0.2500000 0.0000000 0.2500000), wk = 0.0033223 k( 178) = ( 0.2395833 0.0000000 0.2395833), wk = 0.0033223 k( 179) = ( 0.2291667 -0.0000000 0.2291667), wk = 0.0033223 k( 180) = ( 0.2187500 0.0000000 0.2187500), wk = 0.0033223 k( 181) = ( 0.2083333 0.0000000 0.2083333), wk = 0.0033223 k( 182) = ( 0.1979167 0.0000000 0.1979167), wk = 0.0033223 k( 183) = ( 0.1875000 0.0000000 0.1875000), wk = 0.0033223 k( 184) = ( 0.1770833 0.0000000 0.1770833), wk = 0.0033223 k( 185) = ( 0.1666667 -0.0000000 0.1666667), wk = 0.0033223 k( 186) = ( 0.1562500 0.0000000 0.1562500), wk = 0.0033223 k( 187) = ( 0.1458333 0.0000000 0.1458333), wk = 0.0033223 k( 188) = ( 0.1354167 0.0000000 0.1354167), wk = 0.0033223 k( 189) = ( 0.1250000 0.0000000 0.1250000), wk = 0.0033223 k( 190) = ( 0.1145833 0.0000000 0.1145833), wk = 0.0033223 k( 191) = ( 0.1041667 0.0000000 0.1041667), wk = 0.0033223 k( 192) = ( 0.0937500 0.0000000 0.0937500), wk = 0.0033223 k( 193) = ( 0.0833333 0.0000000 0.0833333), wk = 0.0033223 k( 194) = ( 0.0729167 0.0000000 0.0729167), wk = 0.0033223 k( 195) = ( 0.0625000 0.0000000 0.0625000), wk = 0.0033223 k( 196) = ( 0.0520833 0.0000000 0.0520833), wk = 0.0033223 k( 197) = ( 0.0416667 0.0000000 0.0416667), wk = 0.0033223 k( 198) = ( 0.0312500 0.0000000 0.0312500), wk = 0.0033223 k( 199) = ( 0.0208333 0.0000000 0.0208333), wk = 0.0033223 k( 200) = ( 0.0104167 0.0000000 0.0104167), wk = 0.0033223 k( 201) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 202) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 k( 203) = ( 0.0000000 0.0121951 0.0121951), wk = 0.0033223 k( 204) = ( 0.0000000 0.0243902 0.0243902), wk = 0.0033223 k( 205) = ( 0.0000000 0.0365854 0.0365854), wk = 0.0033223 k( 206) = ( 0.0000000 0.0487805 0.0487805), wk = 0.0033223 k( 207) = ( 0.0000000 0.0609756 0.0609756), wk = 0.0033223 k( 208) = ( 0.0000000 0.0731707 0.0731707), wk = 0.0033223 k( 209) = ( 0.0000000 0.0853658 0.0853658), wk = 0.0033223 k( 210) = ( 0.0000000 0.0975610 0.0975610), wk = 0.0033223 k( 211) = ( 0.0000000 0.1097561 0.1097561), wk = 0.0033223 k( 212) = ( 0.0000000 0.1219512 0.1219512), wk = 0.0033223 k( 213) = ( 0.0000000 0.1341463 0.1341463), wk = 0.0033223 k( 214) = ( 0.0000000 0.1463415 0.1463415), wk = 0.0033223 k( 215) = ( 0.0000000 0.1585366 0.1585366), wk = 0.0033223 k( 216) = ( 0.0000000 0.1707317 0.1707317), wk = 0.0033223 k( 217) = ( 0.0000000 0.1829268 0.1829268), wk = 0.0033223 k( 218) = ( 0.0000000 0.1951219 0.1951219), wk = 0.0033223 k( 219) = ( 0.0000000 0.2073171 0.2073171), wk = 0.0033223 k( 220) = ( 0.0000000 0.2195122 0.2195122), wk = 0.0033223 k( 221) = ( 0.0000000 0.2317073 0.2317073), wk = 0.0033223 k( 222) = ( 0.0000000 0.2439024 0.2439024), wk = 0.0033223 k( 223) = ( 0.0000000 0.2560976 0.2560976), wk = 0.0033223 k( 224) = ( 0.0000000 0.2682927 0.2682927), wk = 0.0033223 k( 225) = ( 0.0000000 0.2804878 0.2804878), wk = 0.0033223 k( 226) = ( 0.0000000 0.2926829 0.2926829), wk = 0.0033223 k( 227) = ( 0.0000000 0.3048781 0.3048781), wk = 0.0033223 k( 228) = ( 0.0000000 0.3170732 0.3170732), wk = 0.0033223 k( 229) = ( 0.0000000 0.3292683 0.3292683), wk = 0.0033223 k( 230) = ( 0.0000000 0.3414634 0.3414634), wk = 0.0033223 k( 231) = ( 0.0000000 0.3536585 0.3536585), wk = 0.0033223 k( 232) = ( 0.0000000 0.3658537 0.3658537), wk = 0.0033223 k( 233) = ( 0.0000000 0.3780488 0.3780488), wk = 0.0033223 k( 234) = ( 0.0000000 0.3902439 0.3902439), wk = 0.0033223 k( 235) = ( 0.0000000 0.4024390 0.4024390), wk = 0.0033223 k( 236) = ( 0.0000000 0.4146341 0.4146341), wk = 0.0033223 k( 237) = ( 0.0000000 0.4268293 0.4268293), wk = 0.0033223 k( 238) = ( 0.0000000 0.4390244 0.4390244), wk = 0.0033223 k( 239) = ( 0.0000000 0.4512195 0.4512195), wk = 0.0033223 k( 240) = ( 0.0000000 0.4634146 0.4634146), wk = 0.0033223 k( 241) = ( 0.0000000 0.4756098 0.4756098), wk = 0.0033223 k( 242) = ( 0.0000000 0.4878049 0.4878049), wk = 0.0033223 k( 243) = ( 0.0000000 0.5000000 0.5000000), wk = 0.0033223 k( 244) = ( 0.5000000 0.5000000 0.5000000), wk = 0.0033223 k( 245) = ( 0.4912281 0.4912281 0.4912281), wk = 0.0033223 k( 246) = ( 0.4824561 0.4824561 0.4824561), wk = 0.0033223 k( 247) = ( 0.4736842 0.4736842 0.4736842), wk = 0.0033223 k( 248) = ( 0.4649123 0.4649123 0.4649123), wk = 0.0033223 k( 249) = ( 0.4561404 0.4561404 0.4561404), wk = 0.0033223 k( 250) = ( 0.4473684 0.4473684 0.4473684), wk = 0.0033223 k( 251) = ( 0.4385965 0.4385965 0.4385965), wk = 0.0033223 k( 252) = ( 0.4298246 0.4298246 0.4298246), wk = 0.0033223 k( 253) = ( 0.4210526 0.4210526 0.4210526), wk = 0.0033223 k( 254) = ( 0.4122807 0.4122807 0.4122807), wk = 0.0033223 k( 255) = ( 0.4035088 0.4035088 0.4035088), wk = 0.0033223 k( 256) = ( 0.3947368 0.3947368 0.3947368), wk = 0.0033223 k( 257) = ( 0.3859649 0.3859649 0.3859649), wk = 0.0033223 k( 258) = ( 0.3771930 0.3771930 0.3771930), wk = 0.0033223 k( 259) = ( 0.3684211 0.3684210 0.3684211), wk = 0.0033223 k( 260) = ( 0.3596491 0.3596491 0.3596491), wk = 0.0033223 k( 261) = ( 0.3508772 0.3508772 0.3508772), wk = 0.0033223 k( 262) = ( 0.3421053 0.3421053 0.3421053), wk = 0.0033223 k( 263) = ( 0.3333333 0.3333333 0.3333333), wk = 0.0033223 k( 264) = ( 0.3245614 0.3245614 0.3245614), wk = 0.0033223 k( 265) = ( 0.3157895 0.3157895 0.3157895), wk = 0.0033223 k( 266) = ( 0.3070175 0.3070175 0.3070175), wk = 0.0033223 k( 267) = ( 0.2982456 0.2982456 0.2982456), wk = 0.0033223 k( 268) = ( 0.2894737 0.2894737 0.2894737), wk = 0.0033223 k( 269) = ( 0.2807018 0.2807018 0.2807017), wk = 0.0033223 k( 270) = ( 0.2719298 0.2719298 0.2719298), wk = 0.0033223 k( 271) = ( 0.2631579 0.2631579 0.2631579), wk = 0.0033223 k( 272) = ( 0.2543860 0.2543860 0.2543860), wk = 0.0033223 k( 273) = ( 0.2456140 0.2456140 0.2456140), wk = 0.0033223 k( 274) = ( 0.2368421 0.2368421 0.2368421), wk = 0.0033223 k( 275) = ( 0.2280702 0.2280702 0.2280702), wk = 0.0033223 k( 276) = ( 0.2192983 0.2192982 0.2192983), wk = 0.0033223 k( 277) = ( 0.2105263 0.2105263 0.2105263), wk = 0.0033223 k( 278) = ( 0.2017544 0.2017544 0.2017544), wk = 0.0033223 k( 279) = ( 0.1929825 0.1929825 0.1929825), wk = 0.0033223 k( 280) = ( 0.1842105 0.1842105 0.1842105), wk = 0.0033223 k( 281) = ( 0.1754386 0.1754386 0.1754386), wk = 0.0033223 k( 282) = ( 0.1666667 0.1666667 0.1666667), wk = 0.0033223 k( 283) = ( 0.1578947 0.1578947 0.1578947), wk = 0.0033223 k( 284) = ( 0.1491228 0.1491228 0.1491228), wk = 0.0033223 k( 285) = ( 0.1403509 0.1403509 0.1403509), wk = 0.0033223 k( 286) = ( 0.1315790 0.1315790 0.1315789), wk = 0.0033223 k( 287) = ( 0.1228070 0.1228070 0.1228070), wk = 0.0033223 k( 288) = ( 0.1140351 0.1140351 0.1140351), wk = 0.0033223 k( 289) = ( 0.1052632 0.1052632 0.1052632), wk = 0.0033223 k( 290) = ( 0.0964912 0.0964912 0.0964912), wk = 0.0033223 k( 291) = ( 0.0877193 0.0877193 0.0877193), wk = 0.0033223 k( 292) = ( 0.0789474 0.0789474 0.0789474), wk = 0.0033223 k( 293) = ( 0.0701754 0.0701754 0.0701754), wk = 0.0033223 k( 294) = ( 0.0614035 0.0614035 0.0614035), wk = 0.0033223 k( 295) = ( 0.0526316 0.0526316 0.0526316), wk = 0.0033223 k( 296) = ( 0.0438597 0.0438597 0.0438597), wk = 0.0033223 k( 297) = ( 0.0350877 0.0350877 0.0350877), wk = 0.0033223 k( 298) = ( 0.0263158 0.0263158 0.0263158), wk = 0.0033223 k( 299) = ( 0.0175439 0.0175439 0.0175439), wk = 0.0033223 k( 300) = ( 0.0087719 0.0087719 0.0087719), wk = 0.0033223 k( 301) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0033223 Dense grid: 107557 G-vectors FFT dimensions: ( 48, 64, 72) Smooth grid: 51439 G-vectors FFT dimensions: ( 40, 50, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.25 Mb ( 280, 58) NL pseudopotentials 0.18 Mb ( 140, 84) Each V/rho on FFT grid 0.09 Mb ( 6144) Each G-vector array 0.02 Mb ( 2244) G-vector shells 0.01 Mb ( 1116) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.99 Mb ( 280, 232) Each subspace H/S matrix 0.82 Mb ( 232, 232) Each matrix 0.15 Mb ( 84, 2, 58) Check: negative/imaginary core charge= -0.000011 0.000000 The potential is recalculated from file : ./MgF2.save/charge-density.dat Starting wfc are 52 randomized atomic wfcs + 6 random wfc Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 40.2 secs Computing kpt #: 2 total cpu time spent up to now is 42.3 secs Computing kpt #: 3 total cpu time spent up to now is 44.3 secs Computing kpt #: 4 total cpu time spent up to now is 46.3 secs Computing kpt #: 5 total cpu time spent up to now is 48.3 secs Computing kpt #: 6 total cpu time spent up to now is 50.2 secs Computing kpt #: 7 total cpu time spent up to now is 52.3 secs Computing kpt #: 8 total cpu time spent up to now is 54.3 secs Computing kpt #: 9 total cpu time spent up to now is 56.3 secs Computing kpt #: 10 total cpu time spent up to now is 58.3 secs Computing kpt #: 11 total cpu time spent up to now is 60.3 secs Computing kpt #: 12 total cpu time spent up to now is 62.3 secs Computing kpt #: 13 total cpu time spent up to now is 64.3 secs Computing kpt #: 14 total cpu time spent up to now is 66.3 secs Computing kpt #: 15 total cpu time spent up to now is 68.2 secs Computing kpt #: 16 total cpu time spent up to now is 70.2 secs Computing kpt #: 17 total cpu time spent up to now is 72.4 secs Computing kpt #: 18 total cpu time spent up to now is 74.4 secs Computing kpt #: 19 total cpu time spent up to now is 76.5 secs Computing kpt #: 20 total cpu time spent up to now is 78.4 secs Computing kpt #: 21 total cpu time spent up to now is 80.4 secs Computing kpt #: 22 total cpu time spent up to now is 82.4 secs Computing kpt #: 23 total cpu time spent up to now is 84.3 secs Computing kpt #: 24 total cpu time spent up to now is 86.3 secs Computing kpt #: 25 total cpu time spent up to now is 88.3 secs Computing kpt #: 26 total cpu time spent up to now is 90.2 secs Computing kpt #: 27 total cpu time spent up to now is 92.2 secs Computing kpt #: 28 total cpu time spent up to now is 94.3 secs Computing kpt #: 29 total cpu time spent up to now is 96.3 secs Computing kpt #: 30 total cpu time spent up to now is 98.5 secs Computing kpt #: 31 total cpu time spent up to now is 100.6 secs Computing kpt #: 32 total cpu time spent up to now is 102.7 secs Computing kpt #: 33 total cpu time spent up to now is 105.0 secs Computing kpt #: 34 total cpu time spent up to now is 107.1 secs Computing kpt #: 35 total cpu time spent up to now is 109.2 secs Computing kpt #: 36 total cpu time spent up to now is 111.3 secs Computing kpt #: 37 total cpu time spent up to now is 113.4 secs Computing kpt #: 38 total cpu time spent up to now is 115.5 secs Computing kpt #: 39 total cpu time spent up to now is 117.5 secs Computing kpt #: 40 total cpu time spent up to now is 119.6 secs Computing kpt #: 41 total cpu time spent up to now is 121.6 secs Computing kpt #: 42 total cpu time spent up to now is 123.6 secs Computing kpt #: 43 total cpu time spent up to now is 125.6 secs Computing kpt #: 44 total cpu time spent up to now is 127.6 secs Computing kpt #: 45 total cpu time spent up to now is 129.6 secs Computing kpt #: 46 total cpu time spent up to now is 131.6 secs Computing kpt #: 47 total cpu time spent up to now is 133.6 secs Computing kpt #: 48 total cpu time spent up to now is 135.6 secs Computing kpt #: 49 total cpu time spent up to now is 137.6 secs Computing kpt #: 50 total cpu time spent up to now is 139.7 secs Computing kpt #: 51 total cpu time spent up to now is 141.7 secs Computing kpt #: 52 total cpu time spent up to now is 143.6 secs Computing kpt #: 53 total cpu time spent up to now is 145.6 secs Computing kpt #: 54 total cpu time spent up to now is 147.6 secs Computing kpt #: 55 total cpu time spent up to now is 149.4 secs Computing kpt #: 56 total cpu time spent up to now is 151.2 secs Computing kpt #: 57 total cpu time spent up to now is 153.0 secs Computing kpt #: 58 total cpu time spent up to now is 154.7 secs Computing kpt #: 59 total cpu time spent up to now is 156.5 secs Computing kpt #: 60 total cpu time spent up to now is 158.3 secs Computing kpt #: 61 total cpu time spent up to now is 160.0 secs Computing kpt #: 62 total cpu time spent up to now is 161.8 secs Computing kpt #: 63 total cpu time spent up to now is 163.6 secs Computing kpt #: 64 total cpu time spent up to now is 165.4 secs Computing kpt #: 65 total cpu time spent up to now is 167.2 secs Computing kpt #: 66 total cpu time spent up to now is 169.2 secs Computing kpt #: 67 total cpu time spent up to now is 171.3 secs Computing kpt #: 68 total cpu time spent up to now is 173.3 secs Computing kpt #: 69 total cpu time spent up to now is 175.3 secs Computing kpt #: 70 total cpu time spent up to now is 177.2 secs Computing kpt #: 71 total cpu time spent up to now is 179.2 secs Computing kpt #: 72 total cpu time spent up to now is 181.2 secs Computing kpt #: 73 total cpu time spent up to now is 183.1 secs Computing kpt #: 74 total cpu time spent up to now is 185.5 secs Computing kpt #: 75 total cpu time spent up to now is 187.6 secs Computing kpt #: 76 total cpu time spent up to now is 189.8 secs Computing kpt #: 77 total cpu time spent up to now is 191.9 secs Computing kpt #: 78 total cpu time spent up to now is 194.0 secs Computing kpt #: 79 total cpu time spent up to now is 196.2 secs Computing kpt #: 80 total cpu time spent up to now is 198.3 secs Computing kpt #: 81 total cpu time spent up to now is 200.5 secs Computing kpt #: 82 total cpu time spent up to now is 202.6 secs Computing kpt #: 83 total cpu time spent up to now is 204.8 secs Computing kpt #: 84 total cpu time spent up to now is 206.9 secs Computing kpt #: 85 total cpu time spent up to now is 208.9 secs Computing kpt #: 86 total cpu time spent up to now is 210.9 secs Computing kpt #: 87 total cpu time spent up to now is 213.0 secs Computing kpt #: 88 total cpu time spent up to now is 215.1 secs Computing kpt #: 89 total cpu time spent up to now is 217.1 secs Computing kpt #: 90 total cpu time spent up to now is 219.1 secs Computing kpt #: 91 total cpu time spent up to now is 221.2 secs Computing kpt #: 92 total cpu time spent up to now is 223.2 secs Computing kpt #: 93 total cpu time spent up to now is 225.3 secs Computing kpt #: 94 total cpu time spent up to now is 227.4 secs Computing kpt #: 95 total cpu time spent up to now is 229.4 secs Computing kpt #: 96 total cpu time spent up to now is 231.7 secs Computing kpt #: 97 total cpu time spent up to now is 233.7 secs Computing kpt #: 98 total cpu time spent up to now is 235.9 secs Computing kpt #: 99 total cpu time spent up to now is 238.0 secs Computing kpt #: 100 total cpu time spent up to now is 240.2 secs Computing kpt #: 101 total cpu time spent up to now is 242.3 secs Computing kpt #: 102 total cpu time spent up to now is 244.6 secs Computing kpt #: 103 total cpu time spent up to now is 246.7 secs Computing kpt #: 104 total cpu time spent up to now is 248.8 secs Computing kpt #: 105 total cpu time spent up to now is 251.0 secs Computing kpt #: 106 total cpu time spent up to now is 253.1 secs Computing kpt #: 107 total cpu time spent up to now is 255.3 secs Computing kpt #: 108 total cpu time spent up to now is 257.4 secs Computing kpt #: 109 total cpu time spent up to now is 259.5 secs Computing kpt #: 110 total cpu time spent up to now is 261.7 secs Computing kpt #: 111 total cpu time spent up to now is 263.8 secs Computing kpt #: 112 total cpu time spent up to now is 266.0 secs Computing kpt #: 113 total cpu time spent up to now is 268.1 secs Computing kpt #: 114 total cpu time spent up to now is 270.3 secs Computing kpt #: 115 total cpu time spent up to now is 272.5 secs Computing kpt #: 116 total cpu time spent up to now is 274.8 secs Computing kpt #: 117 total cpu time spent up to now is 276.8 secs Computing kpt #: 118 total cpu time spent up to now is 278.9 secs Computing kpt #: 119 total cpu time spent up to now is 281.0 secs Computing kpt #: 120 total cpu time spent up to now is 283.1 secs Computing kpt #: 121 total cpu time spent up to now is 285.1 secs Computing kpt #: 122 total cpu time spent up to now is 287.1 secs Computing kpt #: 123 total cpu time spent up to now is 289.1 secs Computing kpt #: 124 total cpu time spent up to now is 291.2 secs Computing kpt #: 125 total cpu time spent up to now is 293.2 secs Computing kpt #: 126 total cpu time spent up to now is 295.2 secs Computing kpt #: 127 total cpu time spent up to now is 297.2 secs Computing kpt #: 128 total cpu time spent up to now is 299.2 secs Computing kpt #: 129 total cpu time spent up to now is 301.2 secs Computing kpt #: 130 total cpu time spent up to now is 303.3 secs Computing kpt #: 131 total cpu time spent up to now is 305.4 secs Computing kpt #: 132 total cpu time spent up to now is 307.5 secs Computing kpt #: 133 total cpu time spent up to now is 309.5 secs Computing kpt #: 134 total cpu time spent up to now is 311.5 secs Computing kpt #: 135 total cpu time spent up to now is 313.5 secs Computing kpt #: 136 total cpu time spent up to now is 315.6 secs Computing kpt #: 137 total cpu time spent up to now is 317.7 secs Computing kpt #: 138 total cpu time spent up to now is 319.7 secs Computing kpt #: 139 total cpu time spent up to now is 321.7 secs Computing kpt #: 140 total cpu time spent up to now is 323.7 secs Computing kpt #: 141 total cpu time spent up to now is 325.7 secs Computing kpt #: 142 total cpu time spent up to now is 327.8 secs Computing kpt #: 143 total cpu time spent up to now is 329.8 secs Computing kpt #: 144 total cpu time spent up to now is 331.9 secs Computing kpt #: 145 total cpu time spent up to now is 333.9 secs Computing kpt #: 146 total cpu time spent up to now is 335.9 secs Computing kpt #: 147 total cpu time spent up to now is 338.0 secs Computing kpt #: 148 total cpu time spent up to now is 340.0 secs Computing kpt #: 149 total cpu time spent up to now is 342.1 secs Computing kpt #: 150 total cpu time spent up to now is 344.1 secs Computing kpt #: 151 total cpu time spent up to now is 346.2 secs Computing kpt #: 152 total cpu time spent up to now is 348.2 secs Computing kpt #: 153 total cpu time spent up to now is 350.4 secs Computing kpt #: 154 total cpu time spent up to now is 352.6 secs Computing kpt #: 155 total cpu time spent up to now is 354.8 secs Computing kpt #: 156 total cpu time spent up to now is 356.9 secs Computing kpt #: 157 total cpu time spent up to now is 359.0 secs Computing kpt #: 158 total cpu time spent up to now is 361.1 secs Computing kpt #: 159 total cpu time spent up to now is 363.3 secs Computing kpt #: 160 total cpu time spent up to now is 365.5 secs Computing kpt #: 161 total cpu time spent up to now is 367.6 secs Computing kpt #: 162 total cpu time spent up to now is 369.7 secs Computing kpt #: 163 total cpu time spent up to now is 371.9 secs Computing kpt #: 164 total cpu time spent up to now is 373.9 secs Computing kpt #: 165 total cpu time spent up to now is 376.1 secs Computing kpt #: 166 total cpu time spent up to now is 378.1 secs Computing kpt #: 167 total cpu time spent up to now is 380.2 secs Computing kpt #: 168 total cpu time spent up to now is 382.3 secs Computing kpt #: 169 total cpu time spent up to now is 384.3 secs Computing kpt #: 170 total cpu time spent up to now is 386.3 secs Computing kpt #: 171 total cpu time spent up to now is 388.3 secs Computing kpt #: 172 total cpu time spent up to now is 390.4 secs Computing kpt #: 173 total cpu time spent up to now is 392.4 secs Computing kpt #: 174 total cpu time spent up to now is 394.5 secs Computing kpt #: 175 total cpu time spent up to now is 396.6 secs Computing kpt #: 176 total cpu time spent up to now is 398.7 secs Computing kpt #: 177 total cpu time spent up to now is 400.8 secs Computing kpt #: 178 total cpu time spent up to now is 402.9 secs Computing kpt #: 179 total cpu time spent up to now is 405.0 secs Computing kpt #: 180 total cpu time spent up to now is 407.1 secs Computing kpt #: 181 total cpu time spent up to now is 409.2 secs Computing kpt #: 182 total cpu time spent up to now is 411.3 secs Computing kpt #: 183 total cpu time spent up to now is 413.4 secs Computing kpt #: 184 total cpu time spent up to now is 415.4 secs Computing kpt #: 185 total cpu time spent up to now is 417.5 secs Computing kpt #: 186 total cpu time spent up to now is 419.5 secs Computing kpt #: 187 total cpu time spent up to now is 421.6 secs Computing kpt #: 188 total cpu time spent up to now is 423.7 secs Computing kpt #: 189 total cpu time spent up to now is 425.8 secs Computing kpt #: 190 total cpu time spent up to now is 427.9 secs Computing kpt #: 191 total cpu time spent up to now is 430.0 secs Computing kpt #: 192 total cpu time spent up to now is 432.3 secs Computing kpt #: 193 total cpu time spent up to now is 434.4 secs Computing kpt #: 194 total cpu time spent up to now is 436.5 secs Computing kpt #: 195 total cpu time spent up to now is 438.6 secs Computing kpt #: 196 total cpu time spent up to now is 440.7 secs Computing kpt #: 197 total cpu time spent up to now is 442.8 secs Computing kpt #: 198 total cpu time spent up to now is 444.9 secs Computing kpt #: 199 total cpu time spent up to now is 446.9 secs Computing kpt #: 200 total cpu time spent up to now is 449.0 secs Computing kpt #: 201 total cpu time spent up to now is 451.0 secs Computing kpt #: 202 total cpu time spent up to now is 453.0 secs Computing kpt #: 203 total cpu time spent up to now is 455.0 secs Computing kpt #: 204 total cpu time spent up to now is 457.0 secs Computing kpt #: 205 total cpu time spent up to now is 459.0 secs Computing kpt #: 206 total cpu time spent up to now is 461.1 secs Computing kpt #: 207 total cpu time spent up to now is 463.1 secs Computing kpt #: 208 total cpu time spent up to now is 465.1 secs Computing kpt #: 209 total cpu time spent up to now is 467.1 secs Computing kpt #: 210 total cpu time spent up to now is 469.1 secs Computing kpt #: 211 total cpu time spent up to now is 471.1 secs Computing kpt #: 212 total cpu time spent up to now is 473.1 secs Computing kpt #: 213 total cpu time spent up to now is 474.9 secs Computing kpt #: 214 total cpu time spent up to now is 476.7 secs Computing kpt #: 215 total cpu time spent up to now is 478.6 secs Computing kpt #: 216 total cpu time spent up to now is 480.5 secs Computing kpt #: 217 total cpu time spent up to now is 482.6 secs Computing kpt #: 218 total cpu time spent up to now is 484.6 secs Computing kpt #: 219 total cpu time spent up to now is 486.6 secs Computing kpt #: 220 total cpu time spent up to now is 488.6 secs Computing kpt #: 221 total cpu time spent up to now is 490.6 secs Computing kpt #: 222 total cpu time spent up to now is 492.6 secs Computing kpt #: 223 total cpu time spent up to now is 494.5 secs Computing kpt #: 224 total cpu time spent up to now is 496.5 secs Computing kpt #: 225 total cpu time spent up to now is 498.5 secs Computing kpt #: 226 total cpu time spent up to now is 500.6 secs Computing kpt #: 227 total cpu time spent up to now is 502.6 secs Computing kpt #: 228 total cpu time spent up to now is 504.6 secs Computing kpt #: 229 total cpu time spent up to now is 506.6 secs Computing kpt #: 230 total cpu time spent up to now is 508.6 secs Computing kpt #: 231 total cpu time spent up to now is 510.6 secs Computing kpt #: 232 total cpu time spent up to now is 512.7 secs Computing kpt #: 233 total cpu time spent up to now is 514.7 secs Computing kpt #: 234 total cpu time spent up to now is 516.6 secs Computing kpt #: 235 total cpu time spent up to now is 518.7 secs Computing kpt #: 236 total cpu time spent up to now is 520.7 secs Computing kpt #: 237 total cpu time spent up to now is 522.7 secs Computing kpt #: 238 total cpu time spent up to now is 524.6 secs Computing kpt #: 239 total cpu time spent up to now is 526.5 secs Computing kpt #: 240 total cpu time spent up to now is 528.4 secs Computing kpt #: 241 total cpu time spent up to now is 530.4 secs Computing kpt #: 242 total cpu time spent up to now is 532.4 secs Computing kpt #: 243 total cpu time spent up to now is 534.3 secs Computing kpt #: 244 total cpu time spent up to now is 536.4 secs Computing kpt #: 245 total cpu time spent up to now is 538.5 secs Computing kpt #: 246 total cpu time spent up to now is 540.5 secs Computing kpt #: 247 total cpu time spent up to now is 542.5 secs Computing kpt #: 248 total cpu time spent up to now is 544.5 secs Computing kpt #: 249 total cpu time spent up to now is 546.5 secs Computing kpt #: 250 total cpu time spent up to now is 548.6 secs Computing kpt #: 251 total cpu time spent up to now is 550.8 secs Computing kpt #: 252 total cpu time spent up to now is 552.9 secs Computing kpt #: 253 total cpu time spent up to now is 555.0 secs Computing kpt #: 254 total cpu time spent up to now is 557.1 secs Computing kpt #: 255 total cpu time spent up to now is 559.1 secs Computing kpt #: 256 total cpu time spent up to now is 561.2 secs Computing kpt #: 257 total cpu time spent up to now is 563.2 secs Computing kpt #: 258 total cpu time spent up to now is 565.2 secs Computing kpt #: 259 total cpu time spent up to now is 567.2 secs Computing kpt #: 260 total cpu time spent up to now is 569.3 secs Computing kpt #: 261 total cpu time spent up to now is 571.3 secs Computing kpt #: 262 total cpu time spent up to now is 573.2 secs Computing kpt #: 263 total cpu time spent up to now is 575.2 secs Computing kpt #: 264 total cpu time spent up to now is 577.2 secs Computing kpt #: 265 total cpu time spent up to now is 579.3 secs Computing kpt #: 266 total cpu time spent up to now is 581.3 secs Computing kpt #: 267 total cpu time spent up to now is 583.3 secs Computing kpt #: 268 total cpu time spent up to now is 585.3 secs Computing kpt #: 269 total cpu time spent up to now is 587.3 secs Computing kpt #: 270 total cpu time spent up to now is 589.3 secs Computing kpt #: 271 total cpu time spent up to now is 591.4 secs Computing kpt #: 272 total cpu time spent up to now is 593.4 secs Computing kpt #: 273 total cpu time spent up to now is 595.4 secs Computing kpt #: 274 total cpu time spent up to now is 597.4 secs Computing kpt #: 275 total cpu time spent up to now is 599.5 secs Computing kpt #: 276 total cpu time spent up to now is 601.5 secs Computing kpt #: 277 total cpu time spent up to now is 603.5 secs Computing kpt #: 278 total cpu time spent up to now is 605.6 secs Computing kpt #: 279 total cpu time spent up to now is 607.6 secs Computing kpt #: 280 total cpu time spent up to now is 609.7 secs Computing kpt #: 281 total cpu time spent up to now is 611.8 secs Computing kpt #: 282 total cpu time spent up to now is 613.9 secs Computing kpt #: 283 total cpu time spent up to now is 616.0 secs Computing kpt #: 284 total cpu time spent up to now is 618.0 secs Computing kpt #: 285 total cpu time spent up to now is 620.0 secs Computing kpt #: 286 total cpu time spent up to now is 622.1 secs Computing kpt #: 287 total cpu time spent up to now is 624.2 secs Computing kpt #: 288 total cpu time spent up to now is 626.4 secs Computing kpt #: 289 total cpu time spent up to now is 628.5 secs Computing kpt #: 290 total cpu time spent up to now is 630.8 secs Computing kpt #: 291 total cpu time spent up to now is 633.0 secs Computing kpt #: 292 total cpu time spent up to now is 635.1 secs Computing kpt #: 293 total cpu time spent up to now is 637.2 secs Computing kpt #: 294 total cpu time spent up to now is 639.2 secs Computing kpt #: 295 total cpu time spent up to now is 641.3 secs Computing kpt #: 296 total cpu time spent up to now is 643.3 secs Computing kpt #: 297 total cpu time spent up to now is 645.4 secs Computing kpt #: 298 total cpu time spent up to now is 647.5 secs Computing kpt #: 299 total cpu time spent up to now is 649.5 secs Computing kpt #: 300 total cpu time spent up to now is 651.5 secs Computing kpt #: 301 total cpu time spent up to now is 653.5 secs ethr = 2.08E-11, avg # of iterations = 24.8 total cpu time spent up to now is 653.6 secs End of band structure calculation k = 0.5000-0.0000-0.0000 ( 6398 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2018 -42.2018 -41.1055 -41.1055 -41.0629 -41.0629 -40.8805 -40.8805 -40.8230 -40.8230 -24.7206 -24.7206 -22.7683 -22.7683 -20.1019 -20.1019 -19.0426 -19.0426 -8.5963 -8.5963 -7.6087 -7.6087 -6.0704 -6.0704 -3.6623 -3.6623 -3.4855 -3.4855 -3.3267 -3.3267 -2.1867 -2.1867 -1.9467 -1.9467 -1.1140 -1.1140 -0.6318 -0.6318 -0.5868 -0.5868 1.0847 1.0847 3.5059 3.5059 5.3291 5.3291 6.1205 6.1205 7.6163 7.6163 8.0985 8.0985 k = 0.4875-0.0000-0.0000 ( 6404 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1055 -41.1055 -41.0629 -41.0629 -40.8805 -40.8805 -40.8230 -40.8230 -24.7213 -24.7213 -22.7672 -22.7672 -20.1026 -20.1026 -19.0426 -19.0426 -8.5968 -8.5968 -7.6090 -7.6090 -6.0700 -6.0700 -3.6616 -3.6616 -3.4839 -3.4839 -3.3284 -3.3284 -2.1872 -2.1872 -1.9457 -1.9457 -1.1138 -1.1138 -0.6317 -0.6317 -0.5866 -0.5866 1.0836 1.0836 3.5031 3.5031 5.3324 5.3324 6.1179 6.1179 7.6161 7.6161 8.0996 8.0996 k = 0.4750-0.0000-0.0000 ( 6414 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1055 -41.1055 -41.0629 -41.0629 -40.8805 -40.8805 -40.8230 -40.8230 -24.7232 -24.7232 -22.7637 -22.7637 -20.1046 -20.1046 -19.0426 -19.0426 -8.5981 -8.5981 -7.6097 -7.6097 -6.0687 -6.0687 -3.6593 -3.6593 -3.4794 -3.4794 -3.3335 -3.3335 -2.1886 -2.1886 -1.9427 -1.9427 -1.1134 -1.1134 -0.6315 -0.6315 -0.5859 -0.5859 1.0805 1.0805 3.4947 3.4947 5.3423 5.3423 6.1102 6.1102 7.6154 7.6154 8.1031 8.1031 k = 0.4625-0.0000-0.0000 ( 6416 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1055 -41.1055 -41.0629 -41.0629 -40.8805 -40.8805 -40.8230 -40.8230 -24.7263 -24.7263 -22.7579 -22.7579 -20.1079 -20.1079 -19.0427 -19.0427 -8.6003 -8.6003 -7.6109 -7.6109 -6.0666 -6.0666 -3.6554 -3.6554 -3.4721 -3.4721 -3.3415 -3.3415 -2.1909 -2.1909 -1.9377 -1.9377 -1.1128 -1.1128 -0.6311 -0.6311 -0.5848 -0.5848 1.0754 1.0754 3.4809 3.4809 5.3584 5.3584 6.0975 6.0975 7.6143 7.6143 8.1094 8.1094 k = 0.4500-0.0000-0.0000 ( 6406 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2018 -42.2018 -41.1054 -41.1054 -41.0628 -41.0628 -40.8804 -40.8804 -40.8230 -40.8230 -24.7305 -24.7305 -22.7499 -22.7499 -20.1125 -20.1125 -19.0428 -19.0428 -8.6033 -8.6033 -7.6125 -7.6125 -6.0635 -6.0635 -3.6501 -3.6501 -3.4626 -3.4626 -3.3518 -3.3518 -2.1941 -2.1941 -1.9310 -1.9310 -1.1118 -1.1118 -0.6306 -0.6306 -0.5832 -0.5832 1.0683 1.0683 3.4620 3.4620 5.3802 5.3802 6.0803 6.0803 7.6129 7.6129 8.1188 8.1188 k = 0.4375-0.0000-0.0000 ( 6398 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2018 -42.2018 -41.1054 -41.1054 -41.0628 -41.0628 -40.8803 -40.8803 -40.8229 -40.8229 -24.7360 -24.7360 -22.7397 -22.7397 -20.1184 -20.1184 -19.0429 -19.0429 -8.6071 -8.6071 -7.6145 -7.6145 -6.0594 -6.0594 -3.6433 -3.6433 -3.4525 -3.4525 -3.3630 -3.3630 -2.1982 -2.1982 -1.9225 -1.9225 -1.1106 -1.1106 -0.6301 -0.6301 -0.5809 -0.5809 1.0594 1.0594 3.4384 3.4384 5.4072 5.4072 6.0589 6.0589 7.6117 7.6117 8.1315 8.1315 k = 0.4250-0.0000-0.0000 ( 6398 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2018 -42.2018 -41.1054 -41.1054 -41.0628 -41.0628 -40.8802 -40.8802 -40.8229 -40.8229 -24.7425 -24.7425 -22.7273 -22.7273 -20.1256 -20.1256 -19.0430 -19.0430 -8.6118 -8.6118 -7.6170 -7.6170 -6.0543 -6.0543 -3.6350 -3.6350 -3.4458 -3.4458 -3.3709 -3.3709 -2.2032 -2.2032 -1.9126 -1.9126 -1.1092 -1.1092 -0.6297 -0.6297 -0.5780 -0.5780 1.0488 1.0488 3.4105 3.4105 5.4385 5.4385 6.0339 6.0339 7.6111 7.6111 8.1473 8.1473 k = 0.4125-0.0000-0.0000 ( 6400 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2018 -42.2018 -41.1054 -41.1054 -41.0628 -41.0628 -40.8801 -40.8801 -40.8229 -40.8229 -24.7500 -24.7500 -22.7129 -22.7129 -20.1340 -20.1340 -19.0432 -19.0432 -8.6173 -8.6173 -7.6199 -7.6199 -6.0479 -6.0479 -3.6255 -3.6255 -3.4494 -3.4494 -3.3687 -3.3687 -2.2091 -2.2091 -1.9013 -1.9013 -1.1076 -1.1076 -0.6294 -0.6294 -0.5744 -0.5744 1.0366 1.0366 3.3788 3.3788 5.4733 5.4733 6.0058 6.0058 7.6119 7.6119 8.1657 8.1657 k = 0.4000-0.0000-0.0000 ( 6404 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2018 -42.2018 -41.1054 -41.1054 -41.0628 -41.0628 -40.8800 -40.8800 -40.8228 -40.8228 -24.7585 -24.7585 -22.6966 -22.6966 -20.1436 -20.1436 -19.0434 -19.0434 -8.6237 -8.6237 -7.6232 -7.6232 -6.0404 -6.0404 -3.6147 -3.6147 -3.4650 -3.4650 -3.3545 -3.3545 -2.2159 -2.2159 -1.8889 -1.8889 -1.1057 -1.1057 -0.6293 -0.6293 -0.5701 -0.5701 1.0230 1.0230 3.3436 3.3436 5.5107 5.5107 5.9751 5.9751 7.6149 7.6149 8.1861 8.1861 k = 0.3875-0.0000-0.0000 ( 6408 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2018 -42.2018 -41.1054 -41.1054 -41.0628 -41.0628 -40.8798 -40.8798 -40.8228 -40.8228 -24.7678 -24.7678 -22.6784 -22.6784 -20.1545 -20.1545 -19.0436 -19.0436 -8.6309 -8.6309 -7.6268 -7.6268 -6.0314 -6.0314 -3.6029 -3.6029 -3.4881 -3.4881 -3.3326 -3.3326 -2.2236 -2.2236 -1.8755 -1.8755 -1.1037 -1.1037 -0.6294 -0.6294 -0.5649 -0.5649 1.0081 1.0081 3.3054 3.3054 5.5498 5.5498 5.9425 5.9425 7.6209 7.6209 8.2075 8.2075 k = 0.3750-0.0000-0.0000 ( 6402 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1053 -41.1053 -41.0628 -41.0628 -40.8797 -40.8797 -40.8227 -40.8227 -24.7779 -24.7779 -22.6585 -22.6585 -20.1665 -20.1665 -19.0438 -19.0438 -8.6388 -8.6388 -7.6308 -7.6308 -6.0211 -6.0211 -3.5908 -3.5908 -3.5149 -3.5149 -3.3061 -3.3061 -2.2321 -2.2321 -1.8613 -1.8613 -1.1015 -1.1015 -0.6297 -0.6297 -0.5590 -0.5590 0.9924 0.9924 3.2645 3.2645 5.5895 5.5895 5.9086 5.9086 7.6310 7.6310 8.2291 8.2291 k = 0.3625-0.0000-0.0000 ( 6402 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1053 -41.1053 -41.0628 -41.0628 -40.8795 -40.8795 -40.8226 -40.8226 -24.7886 -24.7886 -22.6370 -22.6370 -20.1796 -20.1796 -19.0441 -19.0441 -8.6476 -8.6476 -7.6350 -7.6350 -6.0091 -6.0091 -3.5819 -3.5819 -3.5405 -3.5405 -3.2766 -3.2766 -2.2415 -2.2415 -1.8465 -1.8465 -1.0992 -1.0992 -0.6302 -0.6302 -0.5523 -0.5523 0.9758 0.9758 3.2212 3.2212 5.6287 5.6287 5.8740 5.8740 7.6458 7.6458 8.2499 8.2499 k = 0.3500-0.0000-0.0000 ( 6414 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1053 -41.1053 -41.0628 -41.0628 -40.8793 -40.8793 -40.8226 -40.8226 -24.7999 -24.7999 -22.6140 -22.6140 -20.1938 -20.1938 -19.0443 -19.0443 -8.6570 -8.6570 -7.6396 -7.6396 -5.9956 -5.9956 -3.5944 -3.5944 -3.5461 -3.5461 -3.2447 -3.2447 -2.2517 -2.2517 -1.8313 -1.8313 -1.0968 -1.0968 -0.6309 -0.6309 -0.5448 -0.5448 0.9587 0.9587 3.1759 3.1759 5.6656 5.6656 5.8401 5.8401 7.6661 7.6661 8.2694 8.2694 k = 0.3375-0.0000-0.0000 ( 6416 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1052 -41.1052 -41.0628 -41.0628 -40.8792 -40.8792 -40.8225 -40.8225 -24.8117 -24.8117 -22.5897 -22.5897 -20.2091 -20.2091 -19.0446 -19.0446 -8.6672 -8.6672 -7.6443 -7.6443 -5.9803 -5.9803 -3.6265 -3.6265 -3.5333 -3.5333 -3.2110 -3.2110 -2.2628 -2.2628 -1.8158 -1.8158 -1.0943 -1.0943 -0.6318 -0.6318 -0.5367 -0.5367 0.9413 0.9413 3.1288 3.1288 5.6967 5.6967 5.8103 5.8103 7.6924 7.6924 8.2870 8.2870 k = 0.3250-0.0000-0.0000 ( 6420 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1052 -41.1052 -41.0628 -41.0628 -40.8790 -40.8790 -40.8225 -40.8225 -24.8238 -24.8238 -22.5641 -22.5641 -20.2253 -20.2253 -19.0449 -19.0449 -8.6779 -8.6779 -7.6493 -7.6493 -5.9633 -5.9633 -3.6637 -3.6637 -3.5161 -3.5161 -3.1760 -3.1760 -2.2747 -2.2747 -1.8001 -1.8001 -1.0917 -1.0917 -0.6328 -0.6328 -0.5279 -0.5279 0.9238 0.9238 3.0801 3.0801 5.7106 5.7106 5.7956 5.7956 7.7250 7.7250 8.3025 8.3025 k = 0.3125-0.0000-0.0000 ( 6422 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1052 -41.1052 -41.0628 -41.0628 -40.8788 -40.8788 -40.8224 -40.8224 -24.8363 -24.8363 -22.5374 -22.5374 -20.2424 -20.2424 -19.0452 -19.0452 -8.6892 -8.6892 -7.6544 -7.6544 -5.9444 -5.9444 -3.7033 -3.7033 -3.4970 -3.4970 -3.1398 -3.1398 -2.2874 -2.2874 -1.7843 -1.7843 -1.0891 -1.0891 -0.6340 -0.6340 -0.5185 -0.5185 0.9067 0.9067 3.0300 3.0300 5.6954 5.6954 5.8077 5.8077 7.7640 7.7640 8.3160 8.3160 k = 0.3000-0.0000-0.0000 ( 6434 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1052 -41.1052 -41.0628 -41.0628 -40.8786 -40.8786 -40.8223 -40.8223 -24.8489 -24.8489 -22.5097 -22.5097 -20.2604 -20.2604 -19.0455 -19.0455 -8.7011 -8.7011 -7.6597 -7.6597 -5.9236 -5.9236 -3.7447 -3.7447 -3.4767 -3.4767 -3.1030 -3.1030 -2.3009 -2.3009 -1.7686 -1.7686 -1.0865 -1.0865 -0.6354 -0.6354 -0.5085 -0.5085 0.8899 0.8899 2.9786 2.9786 5.6652 5.6652 5.8323 5.8323 7.8091 7.8091 8.3281 8.3281 k = 0.2875-0.0000-0.0000 ( 6434 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1051 -41.1051 -41.0627 -41.0627 -40.8784 -40.8784 -40.8223 -40.8223 -24.8617 -24.8617 -22.4812 -22.4812 -20.2792 -20.2792 -19.0459 -19.0459 -8.7133 -8.7133 -7.6650 -7.6650 -5.9010 -5.9010 -3.7876 -3.7876 -3.4552 -3.4552 -3.0657 -3.0657 -2.3151 -2.3151 -1.7531 -1.7531 -1.0839 -1.0839 -0.6368 -0.6368 -0.4980 -0.4980 0.8739 0.8739 2.9262 2.9262 5.6311 5.6311 5.8584 5.8584 7.8596 7.8596 8.3395 8.3395 k = 0.2750-0.0000-0.0000 ( 6434 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1051 -41.1051 -41.0627 -41.0627 -40.8781 -40.8781 -40.8222 -40.8222 -24.8745 -24.8745 -22.4519 -22.4519 -20.2987 -20.2987 -19.0462 -19.0462 -8.7259 -8.7259 -7.6705 -7.6705 -5.8764 -5.8764 -3.8318 -3.8318 -3.4328 -3.4328 -3.0282 -3.0282 -2.3302 -2.3302 -1.7378 -1.7378 -1.0814 -1.0814 -0.6383 -0.6383 -0.4870 -0.4870 0.8589 0.8589 2.8728 2.8728 5.5961 5.5961 5.8833 5.8833 7.9142 7.9142 8.3517 8.3517 k = 0.2625-0.0000-0.0000 ( 6432 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8612 -42.8612 -42.2017 -42.2017 -41.1050 -41.1050 -41.0627 -41.0627 -40.8779 -40.8779 -40.8221 -40.8221 -24.8872 -24.8872 -22.4222 -22.4222 -20.3189 -20.3189 -19.0465 -19.0465 -8.7387 -8.7387 -7.6759 -7.6759 -5.8499 -5.8499 -3.8770 -3.8770 -3.4095 -3.4095 -2.9909 -2.9909 -2.3460 -2.3460 -1.7227 -1.7227 -1.0788 -1.0788 -0.6399 -0.6399 -0.4757 -0.4757 0.8452 0.8452 2.8187 2.8187 5.5611 5.5611 5.9059 5.9059 7.9707 7.9707 8.3669 8.3669 k = 0.2500-0.0000-0.0000 ( 6428 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8612 -42.8612 -42.2017 -42.2017 -41.1050 -41.1050 -41.0627 -41.0627 -40.8776 -40.8776 -40.8220 -40.8220 -24.8998 -24.8998 -22.3919 -22.3919 -20.3396 -20.3396 -19.0469 -19.0469 -8.7517 -8.7517 -7.6814 -7.6814 -5.8214 -5.8214 -3.9233 -3.9233 -3.3855 -3.3855 -2.9541 -2.9541 -2.3626 -2.3626 -1.7080 -1.7080 -1.0764 -1.0764 -0.6415 -0.6415 -0.4641 -0.4641 0.8329 0.8329 2.7639 2.7639 5.5268 5.5268 5.9262 5.9262 8.0258 8.0258 8.3885 8.3885 k = 0.2375-0.0000-0.0000 ( 6437 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8612 -42.8612 -42.2017 -42.2017 -41.1050 -41.1050 -41.0627 -41.0627 -40.8774 -40.8774 -40.8219 -40.8219 -24.9122 -24.9122 -22.3615 -22.3615 -20.3608 -20.3608 -19.0472 -19.0472 -8.7648 -8.7648 -7.6868 -7.6868 -5.7911 -5.7911 -3.9706 -3.9706 -3.3607 -3.3607 -2.9179 -2.9179 -2.3799 -2.3799 -1.6938 -1.6938 -1.0740 -1.0740 -0.6431 -0.6431 -0.4523 -0.4523 0.8222 0.8222 2.7086 2.7086 5.4933 5.4933 5.9441 5.9441 8.0749 8.0749 8.4207 8.4207 k = 0.2250-0.0000-0.0000 ( 6435 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1049 -41.1049 -41.0627 -41.0627 -40.8772 -40.8772 -40.8218 -40.8218 -24.9243 -24.9243 -22.3309 -22.3309 -20.3823 -20.3823 -19.0475 -19.0475 -8.7780 -8.7780 -7.6922 -7.6922 -5.7590 -5.7590 -4.0186 -4.0186 -3.3352 -3.3352 -2.8826 -2.8826 -2.3979 -2.3979 -1.6800 -1.6800 -1.0718 -1.0718 -0.6448 -0.6448 -0.4404 -0.4404 0.8134 0.8134 2.6530 2.6530 5.4608 5.4608 5.9598 5.9598 8.1137 8.1137 8.4676 8.4676 k = 0.2125-0.0000-0.0000 ( 6433 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1049 -41.1049 -41.0626 -41.0626 -40.8770 -40.8770 -40.8218 -40.8218 -24.9361 -24.9361 -22.3003 -22.3003 -20.4041 -20.4041 -19.0479 -19.0479 -8.7910 -8.7910 -7.6974 -7.6974 -5.7251 -5.7251 -4.0673 -4.0673 -3.3092 -3.3092 -2.8485 -2.8485 -2.4166 -2.4166 -1.6667 -1.6667 -1.0695 -1.0695 -0.6465 -0.6465 -0.4284 -0.4284 0.8067 0.8067 2.5972 2.5972 5.4296 5.4296 5.9735 5.9735 8.1403 8.1403 8.5306 8.5306 k = 0.2000-0.0000-0.0000 ( 6429 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1048 -41.1048 -41.0626 -41.0626 -40.8767 -40.8767 -40.8217 -40.8217 -24.9475 -24.9475 -22.2699 -22.2699 -20.4261 -20.4261 -19.0482 -19.0482 -8.8039 -8.8039 -7.7026 -7.7026 -5.6894 -5.6894 -4.1167 -4.1167 -3.2826 -3.2826 -2.8156 -2.8156 -2.4360 -2.4360 -1.6540 -1.6540 -1.0674 -1.0674 -0.6481 -0.6481 -0.4166 -0.4166 0.8021 0.8021 2.5414 2.5414 5.3997 5.3997 5.9854 5.9854 8.1562 8.1562 8.6074 8.6074 k = 0.1875-0.0000-0.0000 ( 6427 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2016 -42.2016 -41.1048 -41.1048 -41.0626 -41.0626 -40.8765 -40.8765 -40.8216 -40.8216 -24.9585 -24.9585 -22.2398 -22.2398 -20.4480 -20.4480 -19.0485 -19.0485 -8.8164 -8.8164 -7.7075 -7.7075 -5.6521 -5.6521 -4.1666 -4.1666 -3.2555 -3.2555 -2.7842 -2.7842 -2.4560 -2.4560 -1.6419 -1.6419 -1.0654 -1.0654 -0.6498 -0.6498 -0.4049 -0.4049 0.7998 0.7998 2.4858 2.4858 5.3712 5.3712 5.9956 5.9956 8.1642 8.1642 8.6940 8.6940 k = 0.1750-0.0000-0.0000 ( 6421 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2016 -42.2016 -41.1047 -41.1047 -41.0626 -41.0626 -40.8763 -40.8763 -40.8215 -40.8215 -24.9690 -24.9690 -22.2103 -22.2103 -20.4698 -20.4698 -19.0488 -19.0488 -8.8286 -8.8286 -7.7123 -7.7123 -5.6131 -5.6131 -4.2171 -4.2171 -3.2281 -3.2281 -2.7545 -2.7545 -2.4766 -2.4766 -1.6305 -1.6305 -1.0634 -1.0634 -0.6514 -0.6514 -0.3935 -0.3935 0.7997 0.7997 2.4306 2.4306 5.3442 5.3442 6.0046 6.0046 8.1671 8.1671 8.7857 8.7857 k = 0.1625-0.0000-0.0000 ( 6431 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2016 -42.2016 -41.1047 -41.1047 -41.0626 -41.0626 -40.8761 -40.8761 -40.8215 -40.8215 -24.9790 -24.9790 -22.1814 -22.1814 -20.4914 -20.4914 -19.0491 -19.0491 -8.8405 -8.8405 -7.7170 -7.7170 -5.5727 -5.5727 -4.2681 -4.2681 -3.2003 -3.2003 -2.7266 -2.7266 -2.4979 -2.4979 -1.6199 -1.6199 -1.0615 -1.0615 -0.6529 -0.6529 -0.3825 -0.3825 0.8020 0.8020 2.3760 2.3760 5.3188 5.3188 6.0122 6.0122 8.1667 8.1667 8.8764 8.8764 k = 0.1500-0.0000-0.0000 ( 6435 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1047 -41.1047 -41.0626 -41.0626 -40.8759 -40.8759 -40.8214 -40.8214 -24.9883 -24.9883 -22.1535 -22.1535 -20.5125 -20.5125 -19.0494 -19.0494 -8.8518 -8.8518 -7.7213 -7.7213 -5.5310 -5.5310 -4.3195 -4.3195 -3.1722 -3.1722 -2.7007 -2.7007 -2.5198 -2.5198 -1.6099 -1.6099 -1.0596 -1.0596 -0.6544 -0.6544 -0.3719 -0.3719 0.8065 0.8065 2.3225 2.3225 5.2950 5.2950 6.0189 6.0189 8.1643 8.1643 8.9557 8.9557 k = 0.1375-0.0000-0.0000 ( 6435 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1047 -41.1047 -41.0626 -41.0626 -40.8757 -40.8757 -40.8214 -40.8214 -24.9971 -24.9971 -22.1266 -22.1266 -20.5330 -20.5330 -19.0496 -19.0496 -8.8625 -8.8625 -7.7255 -7.7255 -5.4878 -5.4878 -4.3712 -4.3712 -3.1439 -3.1439 -2.6767 -2.6767 -2.5421 -2.5421 -1.6008 -1.6008 -1.0579 -1.0579 -0.6558 -0.6558 -0.3619 -0.3619 0.8132 0.8132 2.2702 2.2702 5.2730 5.2730 6.0246 6.0246 8.1607 8.1607 9.0089 9.0089 k = 0.1250-0.0000-0.0000 ( 6443 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1046 -41.1046 -41.0626 -41.0626 -40.8755 -40.8755 -40.8213 -40.8213 -25.0052 -25.0052 -22.1010 -22.1010 -20.5527 -20.5527 -19.0499 -19.0499 -8.8725 -8.8725 -7.7293 -7.7293 -5.4434 -5.4434 -4.4232 -4.4232 -3.1154 -3.1154 -2.6550 -2.6550 -2.5648 -2.5648 -1.5924 -1.5924 -1.0562 -1.0562 -0.6572 -0.6572 -0.3526 -0.3526 0.8218 0.8218 2.2195 2.2195 5.2527 5.2527 6.0296 6.0296 8.1563 8.1563 9.0329 9.0329 k = 0.1125-0.0000-0.0000 ( 6441 PWs) bands (ev): -74.5310 -74.5310 -74.5028 -74.5028 -42.8610 -42.8610 -42.2016 -42.2016 -41.1046 -41.1046 -41.0626 -41.0626 -40.8754 -40.8754 -40.8213 -40.8213 -25.0127 -25.0127 -22.0769 -22.0769 -20.5714 -20.5714 -19.0501 -19.0501 -8.8818 -8.8818 -7.7328 -7.7328 -5.3978 -5.3978 -4.4755 -4.4755 -3.0869 -3.0869 -2.6361 -2.6361 -2.5873 -2.5873 -1.5848 -1.5848 -1.0545 -1.0545 -0.6584 -0.6584 -0.3440 -0.3440 0.8321 0.8321 2.1709 2.1709 5.2342 5.2342 6.0339 6.0339 8.1518 8.1518 9.0396 9.0396 k = 0.1000-0.0000-0.0000 ( 6433 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1046 -41.1046 -41.0626 -41.0626 -40.8752 -40.8752 -40.8212 -40.8212 -25.0194 -25.0194 -22.0545 -22.0545 -20.5890 -20.5890 -19.0503 -19.0503 -8.8902 -8.8902 -7.7360 -7.7360 -5.3512 -5.3512 -4.5280 -4.5280 -3.0582 -3.0582 -2.6253 -2.6253 -2.6042 -2.6042 -1.5781 -1.5781 -1.0530 -1.0530 -0.6595 -0.6595 -0.3361 -0.3361 0.8437 0.8437 2.1248 2.1248 5.2176 5.2176 6.0375 6.0375 8.1472 8.1472 9.0388 9.0388 k = 0.0875-0.0000-0.0000 ( 6433 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1046 -41.1046 -41.0626 -41.0626 -40.8751 -40.8751 -40.8212 -40.8212 -25.0254 -25.0254 -22.0340 -22.0340 -20.6051 -20.6051 -19.0505 -19.0505 -8.8978 -8.8978 -7.7389 -7.7389 -5.3036 -5.3036 -4.5806 -4.5806 -3.0296 -3.0296 -2.6410 -2.6410 -2.5972 -2.5972 -1.5721 -1.5721 -1.0515 -1.0515 -0.6605 -0.6605 -0.3291 -0.3291 0.8561 0.8561 2.0818 2.0818 5.2028 5.2028 6.0407 6.0407 8.1428 8.1428 9.0350 9.0350 k = 0.0750-0.0000-0.0000 ( 6429 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0626 -41.0626 -40.8750 -40.8750 -40.8211 -40.8211 -25.0306 -25.0306 -22.0157 -22.0157 -20.6196 -20.6196 -19.0506 -19.0506 -8.9044 -8.9044 -7.7414 -7.7414 -5.2552 -5.2552 -4.6333 -4.6333 -3.0011 -3.0011 -2.6647 -2.6647 -2.5848 -2.5848 -1.5670 -1.5670 -1.0502 -1.0502 -0.6614 -0.6614 -0.3230 -0.3230 0.8689 0.8689 2.0425 2.0425 5.1900 5.1900 6.0433 6.0433 8.1388 8.1388 9.0302 9.0302 k = 0.0625-0.0000-0.0000 ( 6411 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8748 -40.8748 -40.8211 -40.8211 -25.0350 -25.0350 -21.9997 -21.9997 -20.6324 -20.6324 -19.0508 -19.0508 -8.9101 -8.9101 -7.7435 -7.7435 -5.2059 -5.2059 -4.6860 -4.6860 -2.9728 -2.9728 -2.6895 -2.6895 -2.5736 -2.5736 -1.5627 -1.5627 -1.0490 -1.0490 -0.6621 -0.6621 -0.3177 -0.3177 0.8814 0.8814 2.0075 2.0075 5.1791 5.1791 6.0455 6.0455 8.1352 8.1352 9.0253 9.0253 k = 0.0500-0.0000-0.0000 ( 6419 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8748 -40.8748 -40.8210 -40.8210 -25.0387 -25.0387 -21.9864 -21.9864 -20.6431 -20.6431 -19.0509 -19.0509 -8.9149 -8.9149 -7.7453 -7.7453 -5.1560 -5.1560 -4.7388 -4.7388 -2.9449 -2.9449 -2.7147 -2.7147 -2.5644 -2.5644 -1.5592 -1.5592 -1.0480 -1.0480 -0.6628 -0.6628 -0.3134 -0.3134 0.8929 0.8929 1.9775 1.9775 5.1701 5.1701 6.0472 6.0472 8.1322 8.1322 9.0208 9.0208 k = 0.0375-0.0000-0.0000 ( 6419 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0416 -25.0416 -21.9758 -21.9758 -20.6516 -20.6516 -19.0510 -19.0510 -8.9186 -8.9186 -7.7467 -7.7467 -5.1057 -5.1057 -4.7914 -4.7914 -2.9176 -2.9176 -2.7398 -2.7398 -2.5572 -2.5572 -1.5566 -1.5566 -1.0472 -1.0472 -0.6633 -0.6633 -0.3101 -0.3101 0.9028 0.9028 1.9533 1.9533 5.1631 5.1631 6.0486 6.0486 8.1298 8.1298 9.0171 9.0171 k = 0.0250-0.0000-0.0000 ( 6419 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0436 -25.0436 -21.9681 -21.9681 -20.6578 -20.6578 -19.0511 -19.0511 -8.9213 -8.9213 -7.7477 -7.7477 -5.0550 -5.0550 -4.8436 -4.8436 -2.8917 -2.8917 -2.7643 -2.7643 -2.5520 -2.5520 -1.5547 -1.5547 -1.0466 -1.0466 -0.6636 -0.6636 -0.3077 -0.3077 0.9104 0.9104 1.9354 1.9354 5.1581 5.1581 6.0495 6.0495 8.1280 8.1280 9.0144 9.0144 k = 0.0125-0.0000-0.0000 ( 6417 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0449 -25.0449 -21.9635 -21.9635 -20.6616 -20.6616 -19.0511 -19.0511 -8.9229 -8.9229 -7.7483 -7.7483 -5.0047 -5.0047 -4.8948 -4.8948 -2.8692 -2.8692 -2.7858 -2.7858 -2.5489 -2.5489 -1.5535 -1.5535 -1.0463 -1.0463 -0.6639 -0.6639 -0.3062 -0.3062 0.9152 0.9152 1.9244 1.9244 5.1551 5.1551 6.0501 6.0501 8.1269 8.1269 9.0127 9.0127 k = 0.0000 0.0000 0.0000 ( 6409 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0453 -25.0453 -21.9619 -21.9619 -20.6629 -20.6629 -19.0511 -19.0511 -8.9234 -8.9234 -7.7485 -7.7485 -4.9671 -4.9671 -4.9326 -4.9326 -2.8585 -2.8585 -2.7963 -2.7963 -2.5478 -2.5478 -1.5531 -1.5531 -1.0462 -1.0462 -0.6639 -0.6639 -0.3057 -0.3057 0.9169 0.9169 1.9207 1.9207 5.1541 5.1541 6.0503 6.0503 8.1266 8.1266 9.0121 9.0121 k = 0.0000 0.0000 0.0000 ( 6409 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0453 -25.0453 -21.9619 -21.9619 -20.6629 -20.6629 -19.0511 -19.0511 -8.9234 -8.9234 -7.7485 -7.7485 -4.9671 -4.9671 -4.9326 -4.9326 -2.8585 -2.8585 -2.7963 -2.7963 -2.5478 -2.5478 -1.5531 -1.5531 -1.0462 -1.0462 -0.6639 -0.6639 -0.3057 -0.3057 0.9169 0.9169 1.9207 1.9207 5.1541 5.1541 6.0503 6.0503 8.1266 8.1266 9.0121 9.0121 k = 0.0000 0.0124-0.0000 ( 6411 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0453 -25.0453 -21.9619 -21.9619 -20.6629 -20.6629 -19.0511 -19.0511 -8.9234 -8.9234 -7.7485 -7.7485 -4.9672 -4.9672 -4.9326 -4.9326 -2.8585 -2.8585 -2.7964 -2.7964 -2.5479 -2.5479 -1.5529 -1.5529 -1.0465 -1.0465 -0.6641 -0.6641 -0.3057 -0.3057 0.9167 0.9167 1.9231 1.9231 5.1533 5.1533 6.0513 6.0513 8.1211 8.1211 9.0086 9.0086 k = 0.0000 0.0247-0.0000 ( 6411 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0453 -25.0453 -21.9619 -21.9619 -20.6629 -20.6629 -19.0511 -19.0511 -8.9234 -8.9234 -7.7487 -7.7487 -4.9673 -4.9673 -4.9326 -4.9326 -2.8585 -2.8585 -2.7966 -2.7966 -2.5481 -2.5481 -1.5523 -1.5523 -1.0473 -1.0473 -0.6648 -0.6648 -0.3058 -0.3058 0.9161 0.9161 1.9301 1.9301 5.1505 5.1505 6.0543 6.0543 8.1052 8.1052 8.9978 8.9978 k = 0.0000 0.0371-0.0000 ( 6417 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0453 -25.0453 -21.9619 -21.9619 -20.6629 -20.6629 -19.0511 -19.0511 -8.9235 -8.9235 -7.7490 -7.7490 -4.9674 -4.9674 -4.9326 -4.9326 -2.8586 -2.8586 -2.7970 -2.7970 -2.5483 -2.5483 -1.5512 -1.5512 -1.0488 -1.0488 -0.6659 -0.6659 -0.3059 -0.3059 0.9151 0.9151 1.9419 1.9419 5.1459 5.1459 6.0593 6.0593 8.0799 8.0799 8.9790 8.9790 k = 0.0000 0.0494-0.0000 ( 6417 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0453 -25.0453 -21.9619 -21.9619 -20.6629 -20.6629 -19.0511 -19.0511 -8.9235 -8.9235 -7.7493 -7.7493 -4.9676 -4.9676 -4.9326 -4.9326 -2.8587 -2.8587 -2.7975 -2.7975 -2.5487 -2.5487 -1.5498 -1.5498 -1.0507 -1.0507 -0.6673 -0.6673 -0.3061 -0.3061 0.9138 0.9138 1.9582 1.9582 5.1391 5.1391 6.0664 6.0664 8.0468 8.0468 8.9514 8.9514 k = 0.0000 0.0618-0.0000 ( 6416 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0452 -25.0452 -21.9619 -21.9619 -20.6629 -20.6629 -19.0511 -19.0511 -8.9235 -8.9235 -7.7498 -7.7498 -4.9678 -4.9678 -4.9326 -4.9326 -2.8589 -2.8589 -2.7982 -2.7982 -2.5492 -2.5492 -1.5479 -1.5479 -1.0533 -1.0533 -0.6691 -0.6691 -0.3062 -0.3062 0.9122 0.9122 1.9790 1.9790 5.1300 5.1300 6.0758 6.0758 8.0077 8.0077 8.9150 8.9150 k = 0.0000 0.0742-0.0000 ( 6418 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0452 -25.0452 -21.9619 -21.9619 -20.6629 -20.6629 -19.0511 -19.0511 -8.9235 -8.9235 -7.7504 -7.7504 -4.9681 -4.9681 -4.9326 -4.9326 -2.8590 -2.8590 -2.7990 -2.7990 -2.5497 -2.5497 -1.5457 -1.5457 -1.0563 -1.0563 -0.6712 -0.6712 -0.3065 -0.3065 0.9103 0.9103 2.0042 2.0042 5.1183 5.1183 6.0873 6.0873 7.9645 7.9645 8.8700 8.8700 k = 0.0000 0.0865-0.0000 ( 6412 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0452 -25.0452 -21.9619 -21.9619 -20.6628 -20.6628 -19.0511 -19.0511 -8.9235 -8.9235 -7.7510 -7.7510 -4.9685 -4.9685 -4.9325 -4.9325 -2.8591 -2.8591 -2.7999 -2.7999 -2.5503 -2.5503 -1.5430 -1.5430 -1.0599 -1.0599 -0.6736 -0.6736 -0.3067 -0.3067 0.9082 0.9082 2.0337 2.0337 5.1036 5.1036 6.1013 6.1013 7.9190 7.9190 8.8174 8.8174 k = 0.0000 0.0989-0.0000 ( 6402 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1044 -41.1044 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0452 -25.0452 -21.9619 -21.9619 -20.6628 -20.6628 -19.0510 -19.0510 -8.9235 -8.9235 -7.7517 -7.7517 -4.9688 -4.9688 -4.9325 -4.9325 -2.8593 -2.8593 -2.8009 -2.8009 -2.5510 -2.5510 -1.5400 -1.5400 -1.0640 -1.0640 -0.6762 -0.6762 -0.3070 -0.3070 0.9060 0.9060 2.0672 2.0672 5.0856 5.0856 6.1177 6.1177 7.8728 7.8728 8.7583 8.7583 k = 0.0000 0.1113-0.0000 ( 6412 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0452 -25.0452 -21.9619 -21.9619 -20.6628 -20.6628 -19.0510 -19.0510 -8.9235 -8.9235 -7.7525 -7.7525 -4.9692 -4.9692 -4.9325 -4.9325 -2.8595 -2.8595 -2.8022 -2.8022 -2.5518 -2.5518 -1.5367 -1.5367 -1.0687 -1.0687 -0.6790 -0.6790 -0.3073 -0.3073 0.9036 0.9036 2.1048 2.1048 5.0640 5.0640 6.1366 6.1366 7.8273 7.8273 8.6940 8.6940 k = 0.0000 0.1236-0.0000 ( 6414 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0451 -25.0451 -21.9620 -21.9620 -20.6628 -20.6628 -19.0510 -19.0510 -8.9235 -8.9235 -7.7534 -7.7534 -4.9697 -4.9697 -4.9325 -4.9325 -2.8596 -2.8596 -2.8035 -2.8035 -2.5527 -2.5527 -1.5330 -1.5330 -1.0737 -1.0737 -0.6819 -0.6819 -0.3076 -0.3076 0.9011 0.9011 2.1462 2.1462 5.0384 5.0384 6.1580 6.1580 7.7837 7.7837 8.6259 8.6259 k = 0.0000 0.1360-0.0000 ( 6402 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8209 -40.8209 -25.0451 -25.0451 -21.9620 -21.9620 -20.6628 -20.6628 -19.0510 -19.0510 -8.9235 -8.9235 -7.7543 -7.7543 -4.9701 -4.9701 -4.9324 -4.9324 -2.8597 -2.8597 -2.8049 -2.8049 -2.5535 -2.5535 -1.5291 -1.5291 -1.0792 -1.0792 -0.6849 -0.6849 -0.3079 -0.3079 0.8987 0.8987 2.1913 2.1913 5.0086 5.0086 6.1821 6.1821 7.7430 7.7430 8.5551 8.5551 k = 0.0000 0.1483-0.0000 ( 6402 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8209 -40.8209 -25.0451 -25.0451 -21.9620 -21.9620 -20.6628 -20.6628 -19.0510 -19.0510 -8.9235 -8.9235 -7.7553 -7.7553 -4.9706 -4.9706 -4.9325 -4.9325 -2.8598 -2.8598 -2.8065 -2.8065 -2.5545 -2.5545 -1.5249 -1.5249 -1.0850 -1.0850 -0.6879 -0.6879 -0.3082 -0.3082 0.8962 0.8962 2.2399 2.2399 4.9742 4.9742 6.2088 6.2088 7.7061 7.7061 8.4825 8.4825 k = 0.0000 0.1607-0.0000 ( 6414 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0450 -25.0450 -21.9620 -21.9620 -20.6628 -20.6628 -19.0510 -19.0510 -8.9235 -8.9235 -7.7563 -7.7563 -4.9711 -4.9711 -4.9325 -4.9325 -2.8598 -2.8598 -2.8082 -2.8082 -2.5555 -2.5555 -1.5204 -1.5204 -1.0912 -1.0912 -0.6910 -0.6910 -0.3086 -0.3086 0.8937 0.8937 2.2918 2.2918 4.9352 4.9352 6.2379 6.2379 7.6737 7.6737 8.4089 8.4089 k = 0.0000 0.1731-0.0000 ( 6424 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0450 -25.0450 -21.9620 -21.9620 -20.6628 -20.6628 -19.0509 -19.0509 -8.9236 -8.9236 -7.7574 -7.7574 -4.9716 -4.9716 -4.9326 -4.9326 -2.8598 -2.8598 -2.8100 -2.8100 -2.5565 -2.5565 -1.5158 -1.5158 -1.0978 -1.0978 -0.6940 -0.6940 -0.3089 -0.3089 0.8913 0.8913 2.3470 2.3470 4.8915 4.8915 6.2696 6.2696 7.6464 7.6464 8.3351 8.3351 k = 0.0000 0.1854-0.0000 ( 6416 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0450 -25.0450 -21.9620 -21.9620 -20.6627 -20.6627 -19.0509 -19.0509 -8.9236 -8.9236 -7.7584 -7.7584 -4.9721 -4.9721 -4.9326 -4.9326 -2.8597 -2.8597 -2.8118 -2.8118 -2.5576 -2.5576 -1.5109 -1.5109 -1.1045 -1.1045 -0.6968 -0.6968 -0.3093 -0.3093 0.8890 0.8890 2.4052 2.4052 4.8431 4.8431 6.3036 6.3036 7.6245 7.6245 8.2616 8.2616 k = 0.0000 0.1978-0.0000 ( 6420 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0449 -25.0449 -21.9620 -21.9620 -20.6627 -20.6627 -19.0509 -19.0509 -8.9236 -8.9236 -7.7594 -7.7594 -4.9726 -4.9726 -4.9326 -4.9326 -2.8595 -2.8595 -2.8137 -2.8137 -2.5586 -2.5586 -1.5059 -1.5059 -1.1114 -1.1114 -0.6996 -0.6996 -0.3096 -0.3096 0.8868 0.8868 2.4664 2.4664 4.7901 4.7901 6.3398 6.3398 7.6082 7.6082 8.1889 8.1889 k = 0.0000 0.2102-0.0000 ( 6432 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0449 -25.0449 -21.9621 -21.9621 -20.6627 -20.6627 -19.0509 -19.0509 -8.9236 -8.9236 -7.7605 -7.7605 -4.9731 -4.9731 -4.9327 -4.9327 -2.8593 -2.8593 -2.8158 -2.8158 -2.5597 -2.5597 -1.5009 -1.5009 -1.1184 -1.1184 -0.7023 -0.7023 -0.3099 -0.3099 0.8846 0.8846 2.5303 2.5303 4.7325 4.7325 6.3779 6.3779 7.5977 7.5977 8.1177 8.1177 k = 0.0000 0.2225-0.0000 ( 6430 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0449 -25.0449 -21.9621 -21.9621 -20.6627 -20.6627 -19.0509 -19.0509 -8.9236 -8.9236 -7.7615 -7.7615 -4.9736 -4.9736 -4.9327 -4.9327 -2.8590 -2.8590 -2.8178 -2.8178 -2.5607 -2.5607 -1.4957 -1.4957 -1.1255 -1.1255 -0.7048 -0.7048 -0.3103 -0.3103 0.8826 0.8826 2.5968 2.5968 4.6707 4.6707 6.4178 6.4178 7.5927 7.5927 8.0486 8.0486 k = 0.0000 0.2349-0.0000 ( 6422 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0449 -25.0449 -21.9621 -21.9621 -20.6627 -20.6627 -19.0508 -19.0508 -8.9237 -8.9237 -7.7625 -7.7625 -4.9740 -4.9740 -4.9326 -4.9326 -2.8585 -2.8585 -2.8199 -2.8199 -2.5617 -2.5617 -1.4905 -1.4905 -1.1326 -1.1326 -0.7072 -0.7072 -0.3106 -0.3106 0.8808 0.8808 2.6659 2.6659 4.6050 4.6050 6.4592 6.4592 7.5926 7.5926 7.9825 7.9825 k = 0.0000 0.2472-0.0000 ( 6438 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0448 -25.0448 -21.9621 -21.9621 -20.6627 -20.6627 -19.0508 -19.0508 -8.9237 -8.9237 -7.7635 -7.7635 -4.9745 -4.9745 -4.9327 -4.9327 -2.8580 -2.8580 -2.8221 -2.8221 -2.5627 -2.5627 -1.4854 -1.4854 -1.1396 -1.1396 -0.7094 -0.7094 -0.3109 -0.3109 0.8790 0.8790 2.7372 2.7372 4.5355 4.5355 6.5018 6.5018 7.5962 7.5962 7.9208 7.9208 k = 0.0000 0.2596-0.0000 ( 6434 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0448 -25.0448 -21.9621 -21.9621 -20.6627 -20.6627 -19.0508 -19.0508 -8.9237 -8.9237 -7.7644 -7.7644 -4.9749 -4.9749 -4.9328 -4.9328 -2.8574 -2.8574 -2.8243 -2.8243 -2.5636 -2.5636 -1.4804 -1.4804 -1.1464 -1.1464 -0.7114 -0.7114 -0.3111 -0.3111 0.8774 0.8774 2.8108 2.8108 4.4628 4.4628 6.5453 6.5453 7.6009 7.6009 7.8665 7.8665 k = 0.0000 0.2720-0.0000 ( 6438 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0448 -25.0448 -21.9621 -21.9621 -20.6627 -20.6627 -19.0508 -19.0508 -8.9237 -8.9237 -7.7653 -7.7653 -4.9752 -4.9752 -4.9328 -4.9328 -2.8566 -2.8566 -2.8265 -2.8265 -2.5645 -2.5645 -1.4755 -1.4755 -1.1529 -1.1529 -0.7132 -0.7132 -0.3114 -0.3114 0.8759 0.8759 2.8863 2.8863 4.3871 4.3871 6.5894 6.5894 7.6013 7.6013 7.8250 7.8250 k = 0.0000 0.2843-0.0000 ( 6442 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0448 -25.0448 -21.9622 -21.9622 -20.6626 -20.6626 -19.0508 -19.0508 -8.9237 -8.9237 -7.7661 -7.7661 -4.9756 -4.9756 -4.9329 -4.9329 -2.8558 -2.8558 -2.8287 -2.8287 -2.5653 -2.5653 -1.4709 -1.4709 -1.1591 -1.1591 -0.7148 -0.7148 -0.3116 -0.3116 0.8746 0.8746 2.9638 2.9638 4.3089 4.3089 6.6336 6.6336 7.5892 7.5892 7.8043 7.8043 k = 0.0000 0.2967-0.0000 ( 6436 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0448 -25.0448 -21.9622 -21.9622 -20.6626 -20.6626 -19.0508 -19.0508 -8.9237 -8.9237 -7.7668 -7.7668 -4.9759 -4.9759 -4.9328 -4.9328 -2.8548 -2.8548 -2.8308 -2.8308 -2.5660 -2.5660 -1.4665 -1.4665 -1.1649 -1.1649 -0.7162 -0.7162 -0.3118 -0.3118 0.8735 0.8735 3.0430 3.0430 4.2285 4.2285 6.6777 6.6777 7.5610 7.5610 7.8085 7.8085 k = 0.0000 0.3091-0.0000 ( 6432 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0447 -25.0447 -21.9622 -21.9622 -20.6626 -20.6626 -19.0507 -19.0507 -8.9238 -8.9238 -7.7674 -7.7674 -4.9762 -4.9762 -4.9329 -4.9329 -2.8537 -2.8537 -2.8330 -2.8330 -2.5666 -2.5666 -1.4625 -1.4625 -1.1701 -1.1701 -0.7175 -0.7175 -0.3120 -0.3120 0.8725 0.8725 3.1237 3.1237 4.1463 4.1463 6.7208 6.7208 7.5216 7.5216 7.8325 7.8325 k = 0.0000 0.3214-0.0000 ( 6434 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0447 -25.0447 -21.9622 -21.9622 -20.6626 -20.6626 -19.0507 -19.0507 -8.9238 -8.9238 -7.7679 -7.7679 -4.9764 -4.9764 -4.9329 -4.9329 -2.8525 -2.8525 -2.8351 -2.8351 -2.5672 -2.5672 -1.4590 -1.4590 -1.1747 -1.1747 -0.7185 -0.7185 -0.3121 -0.3121 0.8716 0.8716 3.2058 3.2058 4.0626 4.0626 6.7624 6.7624 7.4783 7.4783 7.8692 7.8692 k = 0.0000 0.3338-0.0000 ( 6430 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0447 -25.0447 -21.9622 -21.9622 -20.6626 -20.6626 -19.0507 -19.0507 -8.9238 -8.9238 -7.7684 -7.7684 -4.9766 -4.9766 -4.9329 -4.9329 -2.8512 -2.8512 -2.8372 -2.8372 -2.5676 -2.5676 -1.4560 -1.4560 -1.1786 -1.1786 -0.7193 -0.7193 -0.3123 -0.3123 0.8709 0.8709 3.2892 3.2892 3.9777 3.9777 6.8013 6.8013 7.4357 7.4357 7.9142 7.9142 k = 0.0000 0.3461-0.0000 ( 6434 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0447 -25.0447 -21.9622 -21.9622 -20.6626 -20.6626 -19.0507 -19.0507 -8.9238 -8.9238 -7.7688 -7.7688 -4.9768 -4.9768 -4.9330 -4.9330 -2.8498 -2.8498 -2.8392 -2.8392 -2.5680 -2.5680 -1.4536 -1.4536 -1.1818 -1.1818 -0.7200 -0.7200 -0.3124 -0.3124 0.8704 0.8704 3.3735 3.3735 3.8920 3.8920 6.8359 6.8359 7.3972 7.3972 7.9640 7.9640 k = 0.0000 0.3585-0.0000 ( 6436 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0447 -25.0447 -21.9622 -21.9622 -20.6626 -20.6626 -19.0507 -19.0507 -8.9238 -8.9238 -7.7690 -7.7690 -4.9769 -4.9769 -4.9330 -4.9330 -2.8483 -2.8483 -2.8412 -2.8412 -2.5683 -2.5683 -1.4518 -1.4518 -1.1841 -1.1841 -0.7205 -0.7205 -0.3124 -0.3124 0.8700 0.8700 3.4585 3.4585 3.8060 3.8060 6.8640 6.8640 7.3659 7.3659 8.0145 8.0145 k = 0.0000 0.3709-0.0000 ( 6440 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0447 -25.0447 -21.9622 -21.9622 -20.6626 -20.6626 -19.0507 -19.0507 -8.9238 -8.9238 -7.7692 -7.7692 -4.9770 -4.9770 -4.9331 -4.9331 -2.8467 -2.8467 -2.8430 -2.8430 -2.5684 -2.5684 -1.4507 -1.4507 -1.1855 -1.1855 -0.7208 -0.7208 -0.3125 -0.3125 0.8698 0.8698 3.5437 3.5437 3.7202 3.7202 6.8827 6.8827 7.3452 7.3452 8.0575 8.0575 k = 0.0000 0.3832-0.0000 ( 6432 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0446 -25.0446 -21.9622 -21.9622 -20.6626 -20.6626 -19.0507 -19.0507 -8.9238 -8.9238 -7.7692 -7.7692 -4.9770 -4.9770 -4.9331 -4.9331 -2.8454 -2.8454 -2.8444 -2.8444 -2.5685 -2.5685 -1.4503 -1.4503 -1.1859 -1.1859 -0.7209 -0.7209 -0.3125 -0.3125 0.8697 0.8697 3.6146 3.6146 3.6490 3.6490 6.8894 6.8894 7.3379 7.3379 8.0762 8.0762 k = 0.5000 0.3832-0.0000 ( 6468 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8614 -42.8614 -42.2019 -42.2019 -41.1057 -41.1057 -41.0629 -41.0629 -40.8807 -40.8807 -40.8231 -40.8231 -24.7203 -24.7203 -22.7678 -22.7678 -20.1023 -20.1023 -19.0423 -19.0423 -8.5960 -8.5960 -7.6205 -7.6205 -6.0718 -6.0718 -3.7178 -3.7178 -3.4823 -3.4823 -3.3238 -3.3238 -2.1724 -2.1724 -2.0218 -2.0218 -1.0837 -1.0837 -0.6684 -0.6684 -0.5447 -0.5447 1.0710 1.0710 4.7217 4.7217 4.9116 4.9116 6.3011 6.3011 6.3890 6.3890 8.6572 8.6572 k = 0.4900 0.3756-0.0000 ( 6472 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8614 -42.8614 -42.2020 -42.2020 -41.1057 -41.1057 -41.0629 -41.0629 -40.8807 -40.8807 -40.8231 -40.8231 -24.7207 -24.7207 -22.7671 -22.7671 -20.1028 -20.1028 -19.0423 -19.0423 -8.5962 -8.5962 -7.6207 -7.6207 -6.0716 -6.0716 -3.7172 -3.7172 -3.4814 -3.4814 -3.3250 -3.3250 -2.1728 -2.1728 -2.0211 -2.0211 -1.0838 -1.0838 -0.6685 -0.6685 -0.5446 -0.5446 1.0709 1.0709 4.7077 4.7077 4.9208 4.9208 6.2952 6.2952 6.4010 6.4010 8.6550 8.6550 k = 0.4800 0.3679-0.0000 ( 6464 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8614 -42.8614 -42.2020 -42.2020 -41.1057 -41.1057 -41.0629 -41.0629 -40.8806 -40.8806 -40.8231 -40.8231 -24.7219 -24.7219 -22.7649 -22.7649 -20.1040 -20.1040 -19.0423 -19.0423 -8.5970 -8.5970 -7.6211 -7.6211 -6.0708 -6.0708 -3.7153 -3.7153 -3.4785 -3.4785 -3.3282 -3.3282 -2.1739 -2.1739 -2.0189 -2.0189 -1.0840 -1.0840 -0.6684 -0.6684 -0.5441 -0.5441 1.0707 1.0707 4.6717 4.6717 4.9422 4.9422 6.2834 6.2834 6.4308 6.4308 8.6483 8.6483 k = 0.4700 0.3602-0.0000 ( 6457 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8614 -42.8614 -42.2020 -42.2020 -41.1056 -41.1056 -41.0628 -41.0628 -40.8806 -40.8806 -40.8230 -40.8230 -24.7239 -24.7239 -22.7612 -22.7612 -20.1061 -20.1061 -19.0424 -19.0424 -8.5984 -8.5984 -7.6218 -7.6218 -6.0694 -6.0694 -3.7122 -3.7122 -3.4739 -3.4739 -3.3336 -3.3336 -2.1757 -2.1757 -2.0154 -2.0154 -1.0844 -1.0844 -0.6684 -0.6684 -0.5433 -0.5433 1.0702 1.0702 4.6227 4.6227 4.9674 4.9674 6.2722 6.2722 6.4717 6.4717 8.6371 8.6371 k = 0.4600 0.3526-0.0000 ( 6446 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8614 -42.8614 -42.2019 -42.2019 -41.1056 -41.1056 -41.0628 -41.0628 -40.8805 -40.8805 -40.8230 -40.8230 -24.7266 -24.7266 -22.7560 -22.7560 -20.1090 -20.1090 -19.0424 -19.0424 -8.6004 -8.6004 -7.6229 -7.6229 -6.0674 -6.0674 -3.7078 -3.7078 -3.4676 -3.4676 -3.3406 -3.3406 -2.1782 -2.1782 -2.0105 -2.0105 -1.0849 -1.0849 -0.6684 -0.6684 -0.5421 -0.5421 1.0696 1.0696 4.5660 4.5660 4.9917 4.9917 6.2635 6.2635 6.5209 6.5209 8.6216 8.6216 k = 0.4500 0.3449-0.0000 ( 6442 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1056 -41.1056 -41.0628 -41.0628 -40.8805 -40.8805 -40.8230 -40.8230 -24.7302 -24.7302 -22.7494 -22.7494 -20.1128 -20.1128 -19.0425 -19.0425 -8.6029 -8.6029 -7.6242 -7.6242 -6.0648 -6.0648 -3.7023 -3.7023 -3.4603 -3.4603 -3.3490 -3.3490 -2.1815 -2.1815 -2.0044 -2.0044 -1.0855 -1.0855 -0.6684 -0.6684 -0.5406 -0.5406 1.0686 1.0686 4.5042 4.5042 5.0133 5.0133 6.2579 6.2579 6.5768 6.5768 8.6020 8.6020 k = 0.4400 0.3372-0.0000 ( 6440 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1056 -41.1056 -41.0628 -41.0628 -40.8804 -40.8804 -40.8230 -40.8230 -24.7344 -24.7344 -22.7414 -22.7414 -20.1174 -20.1174 -19.0426 -19.0426 -8.6059 -8.6059 -7.6258 -7.6258 -6.0616 -6.0616 -3.6956 -3.6956 -3.4529 -3.4529 -3.3578 -3.3578 -2.1855 -2.1855 -1.9971 -1.9971 -1.0862 -1.0862 -0.6684 -0.6684 -0.5389 -0.5389 1.0672 1.0672 4.4388 4.4388 5.0318 5.0318 6.2550 6.2550 6.6388 6.6388 8.5786 8.5786 k = 0.4300 0.3296-0.0000 ( 6441 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1056 -41.1056 -41.0628 -41.0628 -40.8803 -40.8803 -40.8229 -40.8229 -24.7394 -24.7394 -22.7321 -22.7321 -20.1228 -20.1228 -19.0427 -19.0427 -8.6095 -8.6095 -7.6277 -7.6277 -6.0577 -6.0577 -3.6878 -3.6878 -3.4472 -3.4472 -3.3650 -3.3650 -2.1901 -2.1901 -1.9888 -1.9888 -1.0869 -1.0869 -0.6685 -0.6685 -0.5367 -0.5367 1.0653 1.0653 4.3709 4.3709 5.0471 5.0471 6.2544 6.2544 6.7060 6.7060 8.5522 8.5522 k = 0.4200 0.3219-0.0000 ( 6437 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1055 -41.1055 -41.0628 -41.0628 -40.8802 -40.8802 -40.8229 -40.8229 -24.7450 -24.7450 -22.7214 -22.7214 -20.1291 -20.1291 -19.0428 -19.0428 -8.6137 -8.6137 -7.6298 -7.6298 -6.0530 -6.0530 -3.6789 -3.6789 -3.4464 -3.4464 -3.3674 -3.3674 -2.1953 -2.1953 -1.9795 -1.9795 -1.0876 -1.0876 -0.6685 -0.6685 -0.5343 -0.5343 1.0630 1.0630 4.3013 4.3013 5.0594 5.0594 6.2557 6.2557 6.7776 6.7776 8.5236 8.5236 k = 0.4100 0.3142-0.0000 ( 6436 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1055 -41.1055 -41.0628 -41.0628 -40.8801 -40.8801 -40.8229 -40.8229 -24.7513 -24.7513 -22.7095 -22.7095 -20.1361 -20.1361 -19.0430 -19.0430 -8.6184 -8.6184 -7.6322 -7.6322 -6.0476 -6.0476 -3.6689 -3.6689 -3.4534 -3.4534 -3.3620 -3.3620 -2.2013 -2.2013 -1.9693 -1.9693 -1.0882 -1.0882 -0.6686 -0.6686 -0.5315 -0.5315 1.0599 1.0599 4.2304 4.2304 5.0692 5.0692 6.2584 6.2584 6.8529 6.8529 8.4934 8.4934 k = 0.4000 0.3066-0.0000 ( 6436 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1055 -41.1055 -41.0628 -41.0628 -40.8800 -40.8800 -40.8228 -40.8228 -24.7581 -24.7581 -22.6963 -22.6963 -20.1439 -20.1439 -19.0431 -19.0431 -8.6236 -8.6236 -7.6348 -7.6348 -6.0413 -6.0413 -3.6580 -3.6580 -3.4674 -3.4674 -3.3498 -3.3498 -2.2078 -2.2078 -1.9583 -1.9583 -1.0888 -1.0888 -0.6687 -0.6687 -0.5284 -0.5284 1.0561 1.0561 4.1589 4.1589 5.0768 5.0768 6.2621 6.2621 6.9312 6.9312 8.4627 8.4627 k = 0.3900 0.2989-0.0000 ( 6433 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1055 -41.1055 -41.0628 -41.0628 -40.8799 -40.8799 -40.8228 -40.8228 -24.7655 -24.7655 -22.6819 -22.6819 -20.1524 -20.1524 -19.0433 -19.0433 -8.6293 -8.6293 -7.6376 -7.6376 -6.0342 -6.0342 -3.6462 -3.6462 -3.4861 -3.4861 -3.3328 -3.3328 -2.2150 -2.2150 -1.9467 -1.9467 -1.0892 -1.0892 -0.6688 -0.6688 -0.5249 -0.5249 1.0514 1.0514 4.0871 4.0871 5.0826 5.0826 6.2663 6.2663 7.0118 7.0118 8.4321 8.4321 k = 0.3800 0.2913-0.0000 ( 6430 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1055 -41.1055 -41.0628 -41.0628 -40.8798 -40.8798 -40.8227 -40.8227 -24.7734 -24.7734 -22.6664 -22.6664 -20.1618 -20.1618 -19.0435 -19.0435 -8.6355 -8.6355 -7.6407 -7.6407 -6.0261 -6.0261 -3.6336 -3.6336 -3.5078 -3.5078 -3.3127 -3.3127 -2.2229 -2.2229 -1.9345 -1.9345 -1.0894 -1.0894 -0.6689 -0.6689 -0.5211 -0.5211 1.0458 1.0458 4.0153 4.0153 5.0871 5.0871 6.2707 6.2707 7.0940 7.0940 8.4023 8.4023 k = 0.3700 0.2836-0.0000 ( 6436 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1054 -41.1054 -41.0628 -41.0628 -40.8797 -40.8797 -40.8227 -40.8227 -24.7817 -24.7817 -22.6499 -22.6499 -20.1718 -20.1718 -19.0437 -19.0437 -8.6422 -8.6422 -7.6439 -7.6439 -6.0171 -6.0171 -3.6206 -3.6206 -3.5314 -3.5314 -3.2903 -3.2903 -2.2313 -2.2313 -1.9219 -1.9219 -1.0894 -1.0894 -0.6691 -0.6691 -0.5170 -0.5170 1.0392 1.0392 3.9437 3.9437 5.0906 5.0906 6.2748 6.2748 7.1773 7.1773 8.3739 8.3739 k = 0.3600 0.2759-0.0000 ( 6434 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1054 -41.1054 -41.0628 -41.0628 -40.8795 -40.8795 -40.8226 -40.8226 -24.7904 -24.7904 -22.6323 -22.6323 -20.1825 -20.1825 -19.0439 -19.0439 -8.6494 -8.6494 -7.6473 -7.6473 -6.0070 -6.0070 -3.6084 -3.6084 -3.5552 -3.5552 -3.2661 -3.2661 -2.2402 -2.2402 -1.9089 -1.9089 -1.0891 -1.0891 -0.6694 -0.6694 -0.5125 -0.5125 1.0316 1.0316 3.8725 3.8725 5.0934 5.0934 6.2784 6.2784 7.2610 7.2610 8.3474 8.3474 k = 0.3500 0.2683-0.0000 ( 6434 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1054 -41.1054 -41.0628 -41.0628 -40.8794 -40.8794 -40.8226 -40.8226 -24.7995 -24.7995 -22.6138 -22.6138 -20.1940 -20.1940 -19.0441 -19.0441 -8.6571 -8.6571 -7.6508 -7.6508 -5.9959 -5.9959 -3.6049 -3.6049 -3.5712 -3.5712 -3.2405 -3.2405 -2.2498 -2.2498 -1.8956 -1.8956 -1.0886 -1.0886 -0.6696 -0.6696 -0.5078 -0.5078 1.0229 1.0229 3.8020 3.8020 5.0958 5.0958 6.2811 6.2811 7.3446 7.3446 8.3230 8.3230 k = 0.3400 0.2606-0.0000 ( 6432 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2019 -42.2019 -41.1053 -41.1053 -41.0628 -41.0628 -40.8792 -40.8792 -40.8225 -40.8225 -24.8089 -24.8089 -22.5945 -22.5945 -20.2060 -20.2060 -19.0443 -19.0443 -8.6651 -8.6651 -7.6545 -7.6545 -5.9837 -5.9837 -3.6240 -3.6240 -3.5650 -3.5650 -3.2138 -3.2138 -2.2599 -2.2599 -1.8820 -1.8820 -1.0877 -1.0877 -0.6699 -0.6699 -0.5027 -0.5027 1.0131 1.0131 3.7321 3.7321 5.0981 5.0981 6.2827 6.2827 7.4276 7.4276 8.3007 8.3007 k = 0.3300 0.2529-0.0000 ( 6436 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2018 -42.2018 -41.1053 -41.1053 -41.0628 -41.0628 -40.8791 -40.8791 -40.8225 -40.8225 -24.8185 -24.8185 -22.5743 -22.5743 -20.2188 -20.2188 -19.0446 -19.0446 -8.6736 -8.6736 -7.6583 -7.6583 -5.9703 -5.9703 -3.6523 -3.6523 -3.5502 -3.5502 -3.1861 -3.1861 -2.2706 -2.2706 -1.8682 -1.8682 -1.0864 -1.0864 -0.6702 -0.6702 -0.4973 -0.4973 1.0022 1.0022 3.6629 3.6629 5.1004 5.1004 6.2829 6.2829 7.5096 7.5096 8.2805 8.2805 k = 0.3200 0.2453-0.0000 ( 6440 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1053 -41.1053 -41.0628 -41.0628 -40.8789 -40.8789 -40.8224 -40.8224 -24.8284 -24.8284 -22.5534 -22.5534 -20.2321 -20.2321 -19.0448 -19.0448 -8.6825 -8.6825 -7.6622 -7.6622 -5.9558 -5.9558 -3.6832 -3.6832 -3.5332 -3.5332 -3.1577 -3.1577 -2.2817 -2.2817 -1.8543 -1.8543 -1.0848 -1.0848 -0.6705 -0.6705 -0.4916 -0.4916 0.9902 0.9902 3.5945 3.5945 5.1030 5.1030 6.2815 6.2815 7.5899 7.5899 8.2618 8.2618 k = 0.3100 0.2376-0.0000 ( 6433 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1053 -41.1053 -41.0627 -41.0627 -40.8787 -40.8787 -40.8224 -40.8224 -24.8384 -24.8384 -22.5318 -22.5318 -20.2460 -20.2460 -19.0451 -19.0451 -8.6916 -8.6916 -7.6661 -7.6661 -5.9401 -5.9401 -3.7156 -3.7156 -3.5151 -3.5151 -3.1287 -3.1287 -2.2934 -2.2934 -1.8403 -1.8403 -1.0828 -1.0828 -0.6709 -0.6709 -0.4856 -0.4856 0.9773 0.9773 3.5267 3.5267 5.1059 5.1059 6.2785 6.2785 7.6681 7.6681 8.2442 8.2442 k = 0.3000 0.2299-0.0000 ( 6435 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1052 -41.1052 -41.0627 -41.0627 -40.8785 -40.8785 -40.8223 -40.8223 -24.8486 -24.8486 -22.5096 -22.5096 -20.2604 -20.2604 -19.0453 -19.0453 -8.7012 -8.7012 -7.6701 -7.6701 -5.9232 -5.9232 -3.7490 -3.7490 -3.4962 -3.4962 -3.0993 -3.0993 -2.3055 -2.3055 -1.8263 -1.8263 -1.0805 -1.0805 -0.6712 -0.6712 -0.4794 -0.4794 0.9636 0.9636 3.4597 3.4597 5.1092 5.1092 6.2737 6.2737 7.7433 7.7433 8.2274 8.2274 k = 0.2900 0.2223-0.0000 ( 6431 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1052 -41.1052 -41.0627 -41.0627 -40.8784 -40.8784 -40.8222 -40.8222 -24.8587 -24.8587 -22.4869 -22.4869 -20.2754 -20.2754 -19.0456 -19.0456 -8.7109 -8.7109 -7.6741 -7.6741 -5.9050 -5.9050 -3.7833 -3.7833 -3.4766 -3.4766 -3.0697 -3.0697 -2.3182 -2.3182 -1.8123 -1.8123 -1.0778 -1.0778 -0.6715 -0.6715 -0.4729 -0.4729 0.9491 0.9491 3.3933 3.3933 5.1129 5.1129 6.2672 6.2672 7.8143 7.8143 8.2119 8.2119 k = 0.2800 0.2146-0.0000 ( 6430 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1052 -41.1052 -41.0627 -41.0627 -40.8782 -40.8782 -40.8222 -40.8222 -24.8690 -24.8690 -22.4637 -22.4637 -20.2908 -20.2908 -19.0459 -19.0459 -8.7209 -8.7209 -7.6782 -7.6782 -5.8856 -5.8856 -3.8185 -3.8185 -3.4564 -3.4564 -3.0400 -3.0400 -2.3312 -2.3312 -1.7983 -1.7983 -1.0749 -1.0749 -0.6719 -0.6719 -0.4661 -0.4661 0.9342 0.9342 3.3275 3.3275 5.1172 5.1172 6.2590 6.2590 7.8789 7.8789 8.1998 8.1998 k = 0.2700 0.2069-0.0000 ( 6428 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1051 -41.1051 -41.0627 -41.0627 -40.8780 -40.8780 -40.8221 -40.8221 -24.8792 -24.8792 -22.4401 -22.4401 -20.3067 -20.3067 -19.0461 -19.0461 -8.7311 -8.7311 -7.6822 -7.6822 -5.8650 -5.8650 -3.8544 -3.8544 -3.4357 -3.4357 -3.0104 -3.0104 -2.3447 -2.3447 -1.7843 -1.7843 -1.0717 -1.0717 -0.6722 -0.6722 -0.4592 -0.4592 0.9188 0.9188 3.2623 3.2623 5.1219 5.1219 6.2493 6.2493 7.9331 7.9331 8.1956 8.1956 k = 0.2600 0.1993-0.0000 ( 6430 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2018 -42.2018 -41.1051 -41.1051 -41.0627 -41.0627 -40.8778 -40.8778 -40.8221 -40.8221 -24.8894 -24.8894 -22.4162 -22.4162 -20.3229 -20.3229 -19.0464 -19.0464 -8.7415 -8.7415 -7.6863 -7.6863 -5.8432 -5.8432 -3.8909 -3.8909 -3.4146 -3.4146 -2.9810 -2.9810 -2.3586 -2.3586 -1.7705 -1.7705 -1.0683 -1.0683 -0.6724 -0.6724 -0.4520 -0.4520 0.9033 0.9033 3.1975 3.1975 5.1269 5.1269 6.2382 6.2382 7.9709 7.9709 8.2060 8.2060 k = 0.2500 0.1916-0.0000 ( 6428 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1050 -41.1050 -41.0627 -41.0627 -40.8776 -40.8776 -40.8220 -40.8220 -24.8995 -24.8995 -22.3920 -22.3920 -20.3395 -20.3395 -19.0467 -19.0467 -8.7519 -8.7519 -7.6903 -7.6903 -5.8202 -5.8202 -3.9280 -3.9280 -3.3930 -3.3930 -2.9519 -2.9519 -2.3729 -2.3729 -1.7568 -1.7568 -1.0648 -1.0648 -0.6727 -0.6727 -0.4446 -0.4446 0.8879 0.8879 3.1331 3.1331 5.1323 5.1323 6.2260 6.2260 7.9889 7.9889 8.2354 8.2354 k = 0.2400 0.1840-0.0000 ( 6434 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2018 -42.2018 -41.1050 -41.1050 -41.0627 -41.0627 -40.8775 -40.8775 -40.8219 -40.8219 -24.9094 -24.9094 -22.3677 -22.3677 -20.3564 -20.3564 -19.0470 -19.0470 -8.7624 -8.7624 -7.6943 -7.6943 -5.7960 -5.7960 -3.9657 -3.9657 -3.3711 -3.3711 -2.9233 -2.9233 -2.3877 -2.3877 -1.7432 -1.7432 -1.0612 -1.0612 -0.6729 -0.6729 -0.4370 -0.4370 0.8727 0.8727 3.0690 3.0690 5.1379 5.1379 6.2129 6.2129 7.9912 7.9912 8.2801 8.2801 k = 0.2300 0.1763-0.0000 ( 6431 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1050 -41.1050 -41.0626 -41.0626 -40.8773 -40.8773 -40.8219 -40.8219 -24.9192 -24.9192 -22.3432 -22.3432 -20.3735 -20.3735 -19.0472 -19.0472 -8.7729 -8.7729 -7.6982 -7.6982 -5.7706 -5.7706 -4.0039 -4.0039 -3.3489 -3.3489 -2.8953 -2.8953 -2.4027 -2.4027 -1.7297 -1.7297 -1.0576 -1.0576 -0.6730 -0.6730 -0.4293 -0.4293 0.8582 0.8582 3.0053 3.0053 5.1436 5.1436 6.1991 6.1991 7.9853 7.9853 8.3330 8.3330 k = 0.2200 0.1686-0.0000 ( 6429 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1049 -41.1049 -41.0626 -41.0626 -40.8771 -40.8771 -40.8218 -40.8218 -24.9288 -24.9288 -22.3187 -22.3187 -20.3909 -20.3909 -19.0475 -19.0475 -8.7834 -8.7834 -7.7020 -7.7020 -5.7441 -5.7441 -4.0425 -4.0425 -3.3264 -3.3264 -2.8680 -2.8680 -2.4181 -2.4181 -1.7165 -1.7165 -1.0540 -1.0540 -0.6730 -0.6730 -0.4214 -0.4214 0.8446 0.8446 2.9419 2.9419 5.1492 5.1492 6.1851 6.1851 7.9763 7.9763 8.3891 8.3891 k = 0.2100 0.1610-0.0000 ( 6434 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1049 -41.1049 -41.0626 -41.0626 -40.8769 -40.8769 -40.8217 -40.8217 -24.9382 -24.9382 -22.2943 -22.2943 -20.4084 -20.4084 -19.0478 -19.0478 -8.7938 -8.7938 -7.7058 -7.7058 -5.7164 -5.7164 -4.0816 -4.0816 -3.3037 -3.3037 -2.8415 -2.8415 -2.4339 -2.4339 -1.7035 -1.7035 -1.0507 -1.0507 -0.6730 -0.6730 -0.4135 -0.4135 0.8320 0.8320 2.8789 2.8789 5.1545 5.1545 6.1709 6.1709 7.9672 7.9672 8.4454 8.4454 k = 0.2000 0.1533-0.0000 ( 6433 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1049 -41.1049 -41.0626 -41.0626 -40.8767 -40.8767 -40.8217 -40.8217 -24.9473 -24.9473 -22.2700 -22.2700 -20.4259 -20.4259 -19.0481 -19.0481 -8.8041 -8.8041 -7.7095 -7.7095 -5.6876 -5.6876 -4.1210 -4.1210 -3.2808 -3.2808 -2.8158 -2.8158 -2.4499 -2.4499 -1.6908 -1.6908 -1.0475 -1.0475 -0.6729 -0.6729 -0.4055 -0.4055 0.8207 0.8207 2.8161 2.8161 5.1596 5.1596 6.1570 6.1570 7.9592 7.9592 8.5005 8.5005 k = 0.1900 0.1456-0.0000 ( 6433 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1048 -41.1048 -41.0626 -41.0626 -40.8765 -40.8765 -40.8216 -40.8216 -24.9561 -24.9561 -22.2459 -22.2459 -20.4435 -20.4435 -19.0483 -19.0483 -8.8142 -8.8142 -7.7130 -7.7130 -5.6579 -5.6579 -4.1608 -4.1608 -3.2577 -3.2577 -2.7910 -2.7910 -2.4663 -2.4663 -1.6784 -1.6784 -1.0447 -1.0447 -0.6727 -0.6727 -0.3975 -0.3975 0.8110 0.8110 2.7537 2.7537 5.1641 5.1641 6.1435 6.1435 7.9533 7.9533 8.5534 8.5534 k = 0.1800 0.1380-0.0000 ( 6439 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2016 -42.2016 -41.1048 -41.1048 -41.0626 -41.0626 -40.8764 -40.8764 -40.8216 -40.8216 -24.9647 -24.9647 -22.2222 -22.2222 -20.4610 -20.4610 -19.0486 -19.0486 -8.8240 -8.8240 -7.7164 -7.7164 -5.6271 -5.6271 -4.2009 -4.2009 -3.2346 -3.2346 -2.7673 -2.7673 -2.4829 -2.4829 -1.6664 -1.6664 -1.0422 -1.0422 -0.6724 -0.6724 -0.3895 -0.3895 0.8032 0.8032 2.6917 2.6917 5.1680 5.1680 6.1307 6.1307 7.9498 7.9498 8.6037 8.6037 k = 0.1700 0.1303-0.0000 ( 6438 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2016 -42.2016 -41.1048 -41.1048 -41.0626 -41.0626 -40.8762 -40.8762 -40.8215 -40.8215 -24.9729 -24.9729 -22.1988 -22.1988 -20.4783 -20.4783 -19.0488 -19.0488 -8.8336 -8.8336 -7.7197 -7.7197 -5.5954 -5.5954 -4.2413 -4.2413 -3.2114 -3.2114 -2.7447 -2.7447 -2.4998 -2.4998 -1.6547 -1.6547 -1.0401 -1.0401 -0.6720 -0.6720 -0.3816 -0.3816 0.7973 0.7973 2.6303 2.6303 5.1712 5.1712 6.1187 6.1187 7.9489 7.9489 8.6513 8.6513 k = 0.1600 0.1226-0.0000 ( 6432 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2016 -42.2016 -41.1047 -41.1047 -41.0626 -41.0626 -40.8760 -40.8760 -40.8215 -40.8215 -24.9807 -24.9807 -22.1759 -22.1759 -20.4955 -20.4955 -19.0491 -19.0491 -8.8429 -8.8429 -7.7229 -7.7229 -5.5627 -5.5627 -4.2819 -4.2819 -3.1881 -3.1881 -2.7231 -2.7231 -2.5169 -2.5169 -1.6436 -1.6436 -1.0385 -1.0385 -0.6716 -0.6716 -0.3739 -0.3739 0.7935 0.7935 2.5694 2.5694 5.1737 5.1737 6.1077 6.1077 7.9506 7.9506 8.6963 8.6963 k = 0.1500 0.1150-0.0000 ( 6434 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1047 -41.1047 -41.0626 -41.0626 -40.8759 -40.8759 -40.8214 -40.8214 -24.9882 -24.9882 -22.1536 -22.1536 -20.5123 -20.5123 -19.0493 -19.0493 -8.8519 -8.8519 -7.7259 -7.7259 -5.5291 -5.5291 -4.3229 -4.3229 -3.1649 -3.1649 -2.7028 -2.7028 -2.5343 -2.5343 -1.6329 -1.6329 -1.0373 -1.0373 -0.6711 -0.6711 -0.3664 -0.3664 0.7920 0.7920 2.5094 2.5094 5.1753 5.1753 6.0977 6.0977 7.9549 7.9549 8.7387 8.7387 k = 0.1400 0.1073-0.0000 ( 6438 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2016 -42.2016 -41.1047 -41.1047 -41.0626 -41.0626 -40.8757 -40.8757 -40.8214 -40.8214 -24.9953 -24.9953 -22.1320 -22.1320 -20.5288 -20.5288 -19.0495 -19.0495 -8.8605 -8.8605 -7.7287 -7.7287 -5.4947 -5.4947 -4.3640 -4.3640 -3.1417 -3.1417 -2.6837 -2.6837 -2.5518 -2.5518 -1.6229 -1.6229 -1.0365 -1.0365 -0.6705 -0.6705 -0.3591 -0.3591 0.7928 0.7928 2.4502 2.4502 5.1761 5.1761 6.0889 6.0889 7.9618 7.9618 8.7784 8.7784 k = 0.1300 0.0996-0.0000 ( 6441 PWs) bands (ev): -74.5310 -74.5310 -74.5028 -74.5028 -42.8611 -42.8611 -42.2016 -42.2016 -41.1047 -41.1047 -41.0626 -41.0626 -40.8756 -40.8756 -40.8213 -40.8213 -25.0020 -25.0020 -22.1112 -22.1112 -20.5448 -20.5448 -19.0497 -19.0497 -8.8686 -8.8686 -7.7314 -7.7314 -5.4595 -5.4595 -4.4053 -4.4053 -3.1185 -3.1185 -2.6659 -2.6659 -2.5694 -2.5694 -1.6134 -1.6134 -1.0362 -1.0362 -0.6699 -0.6699 -0.3521 -0.3521 0.7959 0.7959 2.3922 2.3922 5.1761 5.1761 6.0812 6.0812 7.9710 7.9710 8.8152 8.8152 k = 0.1200 0.0920-0.0000 ( 6437 PWs) bands (ev): -74.5310 -74.5310 -74.5028 -74.5028 -42.8610 -42.8610 -42.2015 -42.2015 -41.1046 -41.1046 -41.0626 -41.0626 -40.8755 -40.8755 -40.8213 -40.8213 -25.0082 -25.0082 -22.0912 -22.0912 -20.5602 -20.5602 -19.0499 -19.0499 -8.8763 -8.8763 -7.7339 -7.7339 -5.4236 -5.4236 -4.4468 -4.4468 -3.0955 -3.0955 -2.6497 -2.6497 -2.5869 -2.5869 -1.6044 -1.6044 -1.0363 -1.0363 -0.6692 -0.6692 -0.3455 -0.3455 0.8012 0.8012 2.3357 2.3357 5.1754 5.1754 6.0746 6.0746 7.9823 7.9823 8.8492 8.8492 k = 0.1100 0.0843-0.0000 ( 6437 PWs) bands (ev): -74.5310 -74.5310 -74.5028 -74.5028 -42.8610 -42.8610 -42.2015 -42.2015 -41.1046 -41.1046 -41.0626 -41.0626 -40.8753 -40.8753 -40.8213 -40.8213 -25.0140 -25.0140 -22.0723 -22.0723 -20.5749 -20.5749 -19.0501 -19.0501 -8.8835 -8.8835 -7.7361 -7.7361 -5.3869 -5.3869 -4.4884 -4.4884 -3.0725 -3.0725 -2.6361 -2.6361 -2.6032 -2.6032 -1.5963 -1.5963 -1.0367 -1.0367 -0.6685 -0.6685 -0.3394 -0.3394 0.8087 0.8087 2.2807 2.2807 5.1741 5.1741 6.0691 6.0691 7.9954 7.9954 8.8799 8.8799 k = 0.1000 0.0766-0.0000 ( 6434 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1046 -41.1046 -41.0626 -41.0626 -40.8752 -40.8752 -40.8212 -40.8212 -25.0193 -25.0193 -22.0546 -22.0546 -20.5889 -20.5889 -19.0503 -19.0503 -8.8902 -8.8902 -7.7382 -7.7382 -5.3496 -5.3496 -4.5302 -4.5302 -3.0498 -3.0498 -2.6329 -2.6329 -2.6106 -2.6106 -1.5887 -1.5887 -1.0374 -1.0374 -0.6679 -0.6679 -0.3336 -0.3336 0.8180 0.8180 2.2278 2.2278 5.1723 5.1723 6.0645 6.0645 8.0099 8.0099 8.9074 8.9074 k = 0.0900 0.0690-0.0000 ( 6422 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8751 -40.8751 -40.8212 -40.8212 -25.0242 -25.0242 -22.0380 -22.0380 -20.6019 -20.6019 -19.0504 -19.0504 -8.8964 -8.8964 -7.7401 -7.7401 -5.3117 -5.3117 -4.5720 -4.5720 -3.0271 -3.0271 -2.6468 -2.6468 -2.6022 -2.6022 -1.5819 -1.5819 -1.0384 -1.0384 -0.6672 -0.6672 -0.3284 -0.3284 0.8291 0.8291 2.1774 2.1774 5.1701 5.1701 6.0608 6.0608 8.0255 8.0255 8.9314 8.9314 k = 0.0800 0.0613-0.0000 ( 6420 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8750 -40.8750 -40.8211 -40.8211 -25.0286 -25.0286 -22.0228 -22.0228 -20.6140 -20.6140 -19.0506 -19.0506 -8.9019 -8.9019 -7.7419 -7.7419 -5.2733 -5.2733 -4.6139 -4.6139 -3.0048 -3.0048 -2.6646 -2.6646 -2.5916 -2.5916 -1.5758 -1.5758 -1.0395 -1.0395 -0.6666 -0.6666 -0.3237 -0.3237 0.8413 0.8413 2.1297 2.1297 5.1677 5.1677 6.0579 6.0579 8.0416 8.0416 8.9519 8.9519 k = 0.0700 0.0537-0.0000 ( 6423 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8749 -40.8749 -40.8211 -40.8211 -25.0324 -25.0324 -22.0091 -22.0091 -20.6249 -20.6249 -19.0507 -19.0507 -8.9069 -8.9069 -7.7434 -7.7434 -5.2344 -5.2344 -4.6559 -4.6559 -2.9827 -2.9827 -2.6832 -2.6832 -2.5816 -2.5816 -1.5704 -1.5704 -1.0407 -1.0407 -0.6660 -0.6660 -0.3195 -0.3195 0.8543 0.8543 2.0854 2.0854 5.1652 5.1652 6.0556 6.0556 8.0578 8.0578 8.9688 8.9688 k = 0.0600 0.0460-0.0000 ( 6422 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8748 -40.8748 -40.8211 -40.8211 -25.0358 -25.0358 -21.9969 -21.9969 -20.6346 -20.6346 -19.0508 -19.0508 -8.9112 -8.9112 -7.7447 -7.7447 -5.1950 -5.1950 -4.6979 -4.6979 -2.9609 -2.9609 -2.7020 -2.7020 -2.5728 -2.5728 -1.5658 -1.5658 -1.0419 -1.0419 -0.6655 -0.6655 -0.3158 -0.3158 0.8676 0.8676 2.0450 2.0450 5.1627 5.1627 6.0539 6.0539 8.0735 8.0735 8.9824 8.9824 k = 0.0500 0.0383-0.0000 ( 6415 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8748 -40.8748 -40.8210 -40.8210 -25.0387 -25.0387 -21.9864 -21.9864 -20.6431 -20.6431 -19.0509 -19.0509 -8.9149 -8.9149 -7.7459 -7.7459 -5.1551 -5.1551 -4.7398 -4.7398 -2.9395 -2.9395 -2.7209 -2.7209 -2.5652 -2.5652 -1.5619 -1.5619 -1.0431 -1.0431 -0.6650 -0.6650 -0.3127 -0.3127 0.8805 0.8805 2.0092 2.0092 5.1603 5.1603 6.0526 6.0526 8.0881 8.0881 8.9929 8.9929 k = 0.0400 0.0307-0.0000 ( 6413 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0411 -25.0411 -21.9777 -21.9777 -20.6501 -20.6501 -19.0510 -19.0510 -8.9180 -8.9180 -7.7468 -7.7468 -5.1150 -5.1150 -4.7817 -4.7817 -2.9186 -2.9186 -2.7398 -2.7398 -2.5590 -2.5590 -1.5587 -1.5587 -1.0441 -1.0441 -0.6646 -0.6646 -0.3102 -0.3102 0.8924 0.8924 1.9786 1.9786 5.1582 5.1582 6.0517 6.0517 8.1010 8.1010 9.0007 9.0007 k = 0.0300 0.0230-0.0000 ( 6412 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0429 -25.0429 -21.9708 -21.9708 -20.6556 -20.6556 -19.0510 -19.0510 -8.9204 -8.9204 -7.7475 -7.7475 -5.0746 -5.0746 -4.8234 -4.8234 -2.8985 -2.8985 -2.7583 -2.7583 -2.5542 -2.5542 -1.5563 -1.5563 -1.0450 -1.0450 -0.6643 -0.6643 -0.3082 -0.3082 0.9025 0.9025 1.9538 1.9538 5.1565 5.1565 6.0510 6.0510 8.1118 8.1118 9.0061 9.0061 k = 0.0200 0.0153-0.0000 ( 6422 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0442 -25.0442 -21.9659 -21.9659 -20.6596 -20.6596 -19.0511 -19.0511 -8.9221 -8.9221 -7.7481 -7.7481 -5.0343 -5.0343 -4.8647 -4.8647 -2.8800 -2.8800 -2.7757 -2.7757 -2.5507 -2.5507 -1.5545 -1.5545 -1.0456 -1.0456 -0.6641 -0.6641 -0.3069 -0.3069 0.9103 0.9103 1.9356 1.9356 5.1552 5.1552 6.0506 6.0506 8.1199 8.1199 9.0096 9.0096 k = 0.0100 0.0077-0.0000 ( 6419 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0450 -25.0450 -21.9629 -21.9629 -20.6621 -20.6621 -19.0511 -19.0511 -8.9231 -8.9231 -7.7484 -7.7484 -4.9948 -4.9948 -4.9049 -4.9049 -2.8650 -2.8650 -2.7900 -2.7900 -2.5486 -2.5486 -1.5535 -1.5535 -1.0460 -1.0460 -0.6640 -0.6640 -0.3060 -0.3060 0.9152 0.9152 1.9245 1.9245 5.1544 5.1544 6.0503 6.0503 8.1249 8.1249 9.0115 9.0115 k = 0.0000 0.0000 0.0000 ( 6409 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0453 -25.0453 -21.9619 -21.9619 -20.6629 -20.6629 -19.0511 -19.0511 -8.9234 -8.9234 -7.7485 -7.7485 -4.9671 -4.9671 -4.9326 -4.9326 -2.8585 -2.8585 -2.7963 -2.7963 -2.5478 -2.5478 -1.5531 -1.5531 -1.0462 -1.0462 -0.6639 -0.6639 -0.3057 -0.3057 0.9169 0.9169 1.9207 1.9207 5.1541 5.1541 6.0503 6.0503 8.1266 8.1266 9.0121 9.0121 k = 0.0000 0.0000 0.0000 ( 6409 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0453 -25.0453 -21.9619 -21.9619 -20.6629 -20.6629 -19.0511 -19.0511 -8.9234 -8.9234 -7.7485 -7.7485 -4.9671 -4.9671 -4.9326 -4.9326 -2.8585 -2.8585 -2.7963 -2.7963 -2.5478 -2.5478 -1.5531 -1.5531 -1.0462 -1.0462 -0.6639 -0.6639 -0.3057 -0.3057 0.9169 0.9169 1.9207 1.9207 5.1541 5.1541 6.0503 6.0503 8.1266 8.1266 9.0121 9.0121 k = 0.0000 0.0000 0.0125 ( 6409 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0453 -25.0453 -21.9619 -21.9619 -20.6629 -20.6629 -19.0511 -19.0511 -8.9234 -8.9234 -7.7485 -7.7485 -4.9671 -4.9671 -4.9326 -4.9326 -2.8584 -2.8584 -2.7964 -2.7964 -2.5478 -2.5478 -1.5529 -1.5529 -1.0465 -1.0465 -0.6641 -0.6641 -0.3058 -0.3058 0.9163 0.9163 1.9233 1.9233 5.1478 5.1478 6.0558 6.0558 8.1264 8.1264 9.0113 9.0113 k = 0.0000 0.0000 0.0249 ( 6415 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0453 -25.0453 -21.9619 -21.9619 -20.6629 -20.6629 -19.0511 -19.0511 -8.9235 -8.9235 -7.7485 -7.7485 -4.9671 -4.9671 -4.9327 -4.9327 -2.8584 -2.8584 -2.7965 -2.7965 -2.5475 -2.5475 -1.5524 -1.5524 -1.0477 -1.0477 -0.6646 -0.6646 -0.3059 -0.3059 0.9146 0.9146 1.9308 1.9308 5.1290 5.1290 6.0722 6.0722 8.1257 8.1257 9.0087 9.0087 k = 0.0000 0.0000 0.0374 ( 6427 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0453 -25.0453 -21.9619 -21.9619 -20.6629 -20.6629 -19.0511 -19.0511 -8.9236 -8.9236 -7.7485 -7.7485 -4.9671 -4.9671 -4.9328 -4.9328 -2.8583 -2.8583 -2.7968 -2.7968 -2.5471 -2.5471 -1.5516 -1.5516 -1.0495 -1.0495 -0.6654 -0.6654 -0.3061 -0.3061 0.9119 0.9119 1.9433 1.9433 5.0991 5.0991 6.0981 6.0981 8.1247 8.1247 9.0039 9.0039 k = 0.0000 0.0000 0.0499 ( 6419 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0453 -25.0453 -21.9619 -21.9619 -20.6629 -20.6629 -19.0511 -19.0511 -8.9237 -8.9237 -7.7485 -7.7485 -4.9671 -4.9671 -4.9328 -4.9328 -2.8581 -2.8581 -2.7972 -2.7972 -2.5464 -2.5464 -1.5503 -1.5503 -1.0520 -1.0520 -0.6664 -0.6664 -0.3064 -0.3064 0.9082 0.9082 1.9606 1.9606 5.0595 5.0595 6.1322 6.1322 8.1235 8.1235 8.9967 8.9967 k = 0.0000 0.0000 0.0623 ( 6429 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0453 -25.0453 -21.9620 -21.9620 -20.6629 -20.6629 -19.0511 -19.0511 -8.9238 -8.9238 -7.7486 -7.7486 -4.9671 -4.9671 -4.9328 -4.9328 -2.8580 -2.8580 -2.7977 -2.7977 -2.5456 -2.5456 -1.5488 -1.5488 -1.0553 -1.0553 -0.6678 -0.6678 -0.3068 -0.3068 0.9036 0.9036 1.9826 1.9826 5.0118 5.0118 6.1730 6.1730 8.1222 8.1222 8.9864 8.9864 k = 0.0000 0.0000 0.0748 ( 6427 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0452 -25.0452 -21.9620 -21.9620 -20.6629 -20.6629 -19.0511 -19.0511 -8.9240 -8.9240 -7.7486 -7.7486 -4.9670 -4.9670 -4.9328 -4.9328 -2.8577 -2.8577 -2.7983 -2.7983 -2.5447 -2.5447 -1.5469 -1.5469 -1.0592 -1.0592 -0.6694 -0.6694 -0.3072 -0.3072 0.8983 0.8983 2.0090 2.0090 4.9576 4.9576 6.2193 6.2193 8.1209 8.1209 8.9725 8.9725 k = 0.0000 0.0000 0.0872 ( 6435 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0452 -25.0452 -21.9620 -21.9620 -20.6629 -20.6629 -19.0511 -19.0511 -8.9241 -8.9241 -7.7487 -7.7487 -4.9670 -4.9670 -4.9330 -4.9330 -2.8575 -2.8575 -2.7990 -2.7990 -2.5436 -2.5436 -1.5447 -1.5447 -1.0637 -1.0637 -0.6712 -0.6712 -0.3077 -0.3077 0.8925 0.8925 2.0397 2.0397 4.8980 4.8980 6.2698 6.2698 8.1199 8.1199 8.9546 8.9546 k = 0.0000 0.0000 0.0997 ( 6427 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0452 -25.0452 -21.9620 -21.9620 -20.6628 -20.6628 -19.0511 -19.0511 -8.9242 -8.9242 -7.7488 -7.7488 -4.9669 -4.9669 -4.9330 -4.9330 -2.8573 -2.8573 -2.7997 -2.7997 -2.5424 -2.5424 -1.5421 -1.5421 -1.0688 -1.0688 -0.6731 -0.6731 -0.3082 -0.3082 0.8862 0.8862 2.0744 2.0744 4.8340 4.8340 6.3239 6.3239 8.1192 8.1192 8.9325 8.9325 k = 0.0000 0.0000 0.1122 ( 6425 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0452 -25.0452 -21.9621 -21.9621 -20.6628 -20.6628 -19.0511 -19.0511 -8.9244 -8.9244 -7.7488 -7.7488 -4.9668 -4.9668 -4.9331 -4.9331 -2.8570 -2.8570 -2.8005 -2.8005 -2.5411 -2.5411 -1.5393 -1.5393 -1.0744 -1.0744 -0.6752 -0.6752 -0.3088 -0.3088 0.8796 0.8796 2.1129 2.1129 4.7664 4.7664 6.3809 6.3809 8.1190 8.1190 8.9060 8.9060 k = 0.0000 0.0000 0.1246 ( 6415 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0452 -25.0452 -21.9621 -21.9621 -20.6628 -20.6628 -19.0511 -19.0511 -8.9246 -8.9246 -7.7489 -7.7489 -4.9667 -4.9667 -4.9331 -4.9331 -2.8567 -2.8567 -2.8013 -2.8013 -2.5397 -2.5397 -1.5363 -1.5363 -1.0805 -1.0805 -0.6775 -0.6775 -0.3093 -0.3093 0.8729 0.8729 2.1549 2.1549 4.6958 4.6958 6.4405 6.4405 8.1193 8.1193 8.8753 8.8753 k = 0.0000 0.0000 0.1371 ( 6425 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0451 -25.0451 -21.9622 -21.9622 -20.6628 -20.6628 -19.0511 -19.0511 -8.9248 -8.9248 -7.7490 -7.7490 -4.9666 -4.9666 -4.9333 -4.9333 -2.8565 -2.8565 -2.8022 -2.8022 -2.5382 -2.5382 -1.5330 -1.5330 -1.0870 -1.0870 -0.6798 -0.6798 -0.3099 -0.3099 0.8661 0.8661 2.2003 2.2003 4.6228 4.6228 6.5023 6.5023 8.1201 8.1201 8.8408 8.8408 k = 0.0000 0.0000 0.1496 ( 6421 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0451 -25.0451 -21.9622 -21.9622 -20.6628 -20.6628 -19.0511 -19.0511 -8.9249 -8.9249 -7.7490 -7.7490 -4.9665 -4.9665 -4.9334 -4.9334 -2.8562 -2.8562 -2.8031 -2.8031 -2.5367 -2.5367 -1.5295 -1.5295 -1.0938 -1.0938 -0.6821 -0.6821 -0.3105 -0.3105 0.8594 0.8594 2.2487 2.2487 4.5477 4.5477 6.5661 6.5661 8.1214 8.1214 8.8029 8.8029 k = 0.0000 0.0000 0.1620 ( 6421 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0451 -25.0451 -21.9622 -21.9622 -20.6627 -20.6627 -19.0511 -19.0511 -8.9251 -8.9251 -7.7491 -7.7491 -4.9664 -4.9664 -4.9334 -4.9334 -2.8560 -2.8560 -2.8040 -2.8040 -2.5351 -2.5351 -1.5258 -1.5258 -1.1009 -1.1009 -0.6844 -0.6844 -0.3111 -0.3111 0.8527 0.8527 2.3001 2.3001 4.4711 4.4711 6.6318 6.6318 8.1230 8.1230 8.7623 8.7623 k = 0.0000 0.0000 0.1745 ( 6426 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0451 -25.0451 -21.9623 -21.9623 -20.6627 -20.6627 -19.0511 -19.0511 -8.9253 -8.9253 -7.7492 -7.7492 -4.9663 -4.9663 -4.9336 -4.9336 -2.8557 -2.8557 -2.8049 -2.8049 -2.5336 -2.5336 -1.5219 -1.5219 -1.1082 -1.1082 -0.6867 -0.6867 -0.3117 -0.3117 0.8463 0.8463 2.3542 2.3542 4.3931 4.3931 6.6992 6.6992 8.1245 8.1245 8.7196 8.7196 k = 0.0000 0.0000 0.1870 ( 6414 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0624 -41.0624 -40.8747 -40.8747 -40.8210 -40.8210 -25.0450 -25.0450 -21.9623 -21.9623 -20.6627 -20.6627 -19.0511 -19.0511 -8.9255 -8.9255 -7.7492 -7.7492 -4.9662 -4.9662 -4.9337 -4.9337 -2.8555 -2.8555 -2.8057 -2.8057 -2.5320 -2.5320 -1.5180 -1.5180 -1.1155 -1.1155 -0.6889 -0.6889 -0.3123 -0.3123 0.8401 0.8401 2.4107 2.4107 4.3142 4.3142 6.7682 6.7682 8.1256 8.1256 8.6759 8.6759 k = 0.0000 0.0000 0.1994 ( 6412 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0624 -41.0624 -40.8747 -40.8747 -40.8209 -40.8209 -25.0450 -25.0450 -21.9624 -21.9624 -20.6627 -20.6627 -19.0511 -19.0511 -8.9257 -8.9257 -7.7493 -7.7493 -4.9660 -4.9660 -4.9338 -4.9338 -2.8553 -2.8553 -2.8065 -2.8065 -2.5304 -2.5304 -1.5140 -1.5140 -1.1228 -1.1228 -0.6910 -0.6910 -0.3129 -0.3129 0.8343 0.8343 2.4694 2.4694 4.2346 4.2346 6.8386 6.8386 8.1252 8.1252 8.6321 8.6321 k = 0.0000 0.0000 0.2119 ( 6418 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1045 -41.1045 -41.0624 -41.0624 -40.8747 -40.8747 -40.8209 -40.8209 -25.0450 -25.0450 -21.9624 -21.9624 -20.6627 -20.6627 -19.0511 -19.0511 -8.9259 -8.9259 -7.7494 -7.7494 -4.9659 -4.9659 -4.9339 -4.9339 -2.8551 -2.8551 -2.8073 -2.8073 -2.5290 -2.5290 -1.5100 -1.5100 -1.1300 -1.1300 -0.6931 -0.6931 -0.3134 -0.3134 0.8289 0.8289 2.5301 2.5301 4.1547 4.1547 6.9105 6.9105 8.1222 8.1222 8.5897 8.5897 k = 0.0000 0.0000 0.2244 ( 6414 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1045 -41.1045 -41.0624 -41.0624 -40.8747 -40.8747 -40.8209 -40.8209 -25.0450 -25.0450 -21.9624 -21.9624 -20.6626 -20.6626 -19.0511 -19.0511 -8.9260 -8.9260 -7.7495 -7.7495 -4.9658 -4.9658 -4.9340 -4.9340 -2.8549 -2.8549 -2.8080 -2.8080 -2.5275 -2.5275 -1.5061 -1.5061 -1.1370 -1.1370 -0.6950 -0.6950 -0.3139 -0.3139 0.8239 0.8239 2.5925 2.5925 4.0748 4.0748 6.9836 6.9836 8.1150 8.1150 8.5505 8.5505 k = 0.0000 0.0000 0.2368 ( 6410 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0624 -41.0624 -40.8747 -40.8747 -40.8209 -40.8209 -25.0449 -25.0449 -21.9625 -21.9625 -20.6626 -20.6626 -19.0511 -19.0511 -8.9262 -8.9262 -7.7495 -7.7495 -4.9657 -4.9657 -4.9341 -4.9341 -2.8548 -2.8548 -2.8086 -2.8086 -2.5262 -2.5262 -1.5024 -1.5024 -1.1437 -1.1437 -0.6967 -0.6967 -0.3143 -0.3143 0.8194 0.8194 2.6562 2.6562 3.9953 3.9953 7.0579 7.0579 8.1013 8.1013 8.5167 8.5167 k = 0.0000 0.0000 0.2493 ( 6402 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0624 -41.0624 -40.8747 -40.8747 -40.8209 -40.8209 -25.0449 -25.0449 -21.9625 -21.9625 -20.6626 -20.6626 -19.0511 -19.0511 -8.9263 -8.9263 -7.7496 -7.7496 -4.9656 -4.9656 -4.9341 -4.9341 -2.8547 -2.8547 -2.8092 -2.8092 -2.5250 -2.5250 -1.4987 -1.4987 -1.1499 -1.1499 -0.6983 -0.6983 -0.3147 -0.3147 0.8153 0.8153 2.7209 2.7209 3.9166 3.9166 7.1331 7.1331 8.0789 8.0789 8.4906 8.4906 k = 0.0000 0.0000 0.2617 ( 6410 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0624 -41.0624 -40.8747 -40.8747 -40.8209 -40.8209 -25.0449 -25.0449 -21.9625 -21.9625 -20.6626 -20.6626 -19.0511 -19.0511 -8.9265 -8.9265 -7.7497 -7.7497 -4.9655 -4.9655 -4.9343 -4.9343 -2.8546 -2.8546 -2.8098 -2.8098 -2.5239 -2.5239 -1.4955 -1.4955 -1.1556 -1.1556 -0.6997 -0.6997 -0.3150 -0.3150 0.8117 0.8117 2.7860 2.7860 3.8393 3.8393 7.2090 7.2090 8.0466 8.0466 8.4734 8.4734 k = 0.0000 0.0000 0.2742 ( 6400 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0624 -41.0624 -40.8747 -40.8747 -40.8209 -40.8209 -25.0449 -25.0449 -21.9626 -21.9626 -20.6626 -20.6626 -19.0511 -19.0511 -8.9266 -8.9266 -7.7497 -7.7497 -4.9654 -4.9654 -4.9342 -4.9342 -2.8545 -2.8545 -2.8102 -2.8102 -2.5229 -2.5229 -1.4925 -1.4925 -1.1606 -1.1606 -0.7009 -0.7009 -0.3153 -0.3153 0.8087 0.8087 2.8506 2.8506 3.7643 3.7643 7.2853 7.2853 8.0042 8.0042 8.4650 8.4650 k = 0.0000 0.0000 0.2867 ( 6390 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0624 -41.0624 -40.8746 -40.8746 -40.8209 -40.8209 -25.0449 -25.0449 -21.9626 -21.9626 -20.6626 -20.6626 -19.0511 -19.0511 -8.9267 -8.9267 -7.7497 -7.7497 -4.9653 -4.9653 -4.9342 -4.9342 -2.8544 -2.8544 -2.8105 -2.8105 -2.5221 -2.5221 -1.4899 -1.4899 -1.1648 -1.1648 -0.7018 -0.7018 -0.3155 -0.3155 0.8061 0.8061 2.9134 2.9134 3.6929 3.6929 7.3615 7.3615 7.9532 7.9532 8.4641 8.4641 k = 0.0000 0.0000 0.2991 ( 6392 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0624 -41.0624 -40.8746 -40.8746 -40.8209 -40.8209 -25.0448 -25.0448 -21.9626 -21.9626 -20.6626 -20.6626 -19.0511 -19.0511 -8.9267 -8.9267 -7.7497 -7.7497 -4.9652 -4.9652 -4.9343 -4.9343 -2.8544 -2.8544 -2.8108 -2.8108 -2.5215 -2.5215 -1.4879 -1.4879 -1.1683 -1.1683 -0.7026 -0.7026 -0.3157 -0.3157 0.8042 0.8042 2.9722 2.9722 3.6275 3.6275 7.4368 7.4368 7.8956 7.8956 8.4681 8.4681 k = 0.0000 0.0000 0.3116 ( 6398 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0624 -41.0624 -40.8746 -40.8746 -40.8209 -40.8209 -25.0448 -25.0448 -21.9626 -21.9626 -20.6626 -20.6626 -19.0511 -19.0511 -8.9268 -8.9268 -7.7498 -7.7498 -4.9652 -4.9652 -4.9344 -4.9344 -2.8544 -2.8544 -2.8111 -2.8111 -2.5211 -2.5211 -1.4864 -1.4864 -1.1708 -1.1708 -0.7032 -0.7032 -0.3159 -0.3159 0.8027 0.8027 3.0230 3.0230 3.5719 3.5719 7.5096 7.5096 7.8345 7.8345 8.4743 8.4743 k = 0.0000 0.0000 0.3241 ( 6394 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0624 -41.0624 -40.8746 -40.8746 -40.8209 -40.8209 -25.0448 -25.0448 -21.9626 -21.9626 -20.6625 -20.6625 -19.0511 -19.0511 -8.9268 -8.9268 -7.7498 -7.7498 -4.9652 -4.9652 -4.9344 -4.9344 -2.8543 -2.8543 -2.8112 -2.8112 -2.5208 -2.5208 -1.4855 -1.4855 -1.1723 -1.1723 -0.7035 -0.7035 -0.3160 -0.3160 0.8019 0.8019 3.0594 3.0594 3.5327 3.5327 7.5747 7.5747 7.7760 7.7760 8.4797 8.4797 k = 0.0000 0.0000 0.3365 ( 6400 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0624 -41.0624 -40.8747 -40.8747 -40.8209 -40.8209 -25.0448 -25.0448 -21.9626 -21.9626 -20.6626 -20.6626 -19.0511 -19.0511 -8.9269 -8.9269 -7.7498 -7.7498 -4.9652 -4.9652 -4.9344 -4.9344 -2.8543 -2.8543 -2.8112 -2.8112 -2.5207 -2.5207 -1.4852 -1.4852 -1.1728 -1.1728 -0.7036 -0.7036 -0.3160 -0.3160 0.8016 0.8016 3.0729 3.0729 3.5181 3.5181 7.6083 7.6083 7.7445 7.7445 8.4818 8.4818 k = 0.5000-0.0000 0.3365 ( 6464 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8614 -42.8614 -42.2020 -42.2020 -41.1056 -41.1056 -41.0628 -41.0628 -40.8807 -40.8807 -40.8231 -40.8231 -24.7205 -24.7205 -22.7680 -22.7680 -20.1028 -20.1028 -19.0427 -19.0427 -8.5940 -8.5940 -7.6091 -7.6091 -6.0749 -6.0749 -3.6713 -3.6713 -3.5009 -3.5009 -3.3160 -3.3160 -2.1772 -2.1772 -2.0034 -2.0034 -1.0886 -1.0886 -0.6429 -0.6429 -0.5517 -0.5517 1.0927 1.0927 4.4730 4.4730 4.5163 4.5163 6.1087 6.1087 6.4456 6.4456 8.6122 8.6122 k = 0.4896-0.0000 0.3295 ( 6454 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8614 -42.8614 -42.2020 -42.2020 -41.1056 -41.1056 -41.0628 -41.0628 -40.8806 -40.8806 -40.8230 -40.8230 -24.7209 -24.7209 -22.7672 -22.7672 -20.1032 -20.1032 -19.0427 -19.0427 -8.5942 -8.5942 -7.6093 -7.6093 -6.0746 -6.0746 -3.6708 -3.6708 -3.4997 -3.4997 -3.3172 -3.3172 -2.1775 -2.1775 -2.0026 -2.0026 -1.0887 -1.0887 -0.6430 -0.6430 -0.5515 -0.5515 1.0926 1.0926 4.4453 4.4453 4.5380 4.5380 6.1130 6.1130 6.4504 6.4504 8.6101 8.6101 k = 0.4792-0.0000 0.3225 ( 6451 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8614 -42.8614 -42.2020 -42.2020 -41.1056 -41.1056 -41.0628 -41.0628 -40.8806 -40.8806 -40.8230 -40.8230 -24.7222 -24.7222 -22.7648 -22.7648 -20.1046 -20.1046 -19.0428 -19.0428 -8.5952 -8.5952 -7.6097 -7.6097 -6.0737 -6.0737 -3.6691 -3.6691 -3.4962 -3.4962 -3.3207 -3.3207 -2.1786 -2.1786 -2.0004 -2.0004 -1.0890 -1.0890 -0.6431 -0.6431 -0.5510 -0.5510 1.0922 1.0922 4.3983 4.3983 4.5671 4.5671 6.1255 6.1255 6.4649 6.4649 8.6037 8.6037 k = 0.4688-0.0000 0.3155 ( 6447 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8614 -42.8614 -42.2020 -42.2020 -41.1056 -41.1056 -41.0628 -41.0628 -40.8806 -40.8806 -40.8230 -40.8230 -24.7244 -24.7244 -22.7608 -22.7608 -20.1069 -20.1069 -19.0428 -19.0428 -8.5968 -8.5968 -7.6106 -7.6106 -6.0722 -6.0722 -3.6663 -3.6663 -3.4906 -3.4906 -3.3264 -3.3264 -2.1803 -2.1803 -1.9966 -1.9966 -1.0895 -1.0895 -0.6433 -0.6433 -0.5500 -0.5500 1.0914 1.0914 4.3448 4.3448 4.5916 4.5916 6.1453 6.1453 6.4892 6.4892 8.5934 8.5934 k = 0.4583-0.0000 0.3085 ( 6440 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8614 -42.8614 -42.2020 -42.2020 -41.1056 -41.1056 -41.0628 -41.0628 -40.8805 -40.8805 -40.8230 -40.8230 -24.7274 -24.7274 -22.7552 -22.7552 -20.1101 -20.1101 -19.0429 -19.0429 -8.5989 -8.5989 -7.6117 -7.6117 -6.0701 -6.0701 -3.6625 -3.6625 -3.4830 -3.4830 -3.3340 -3.3340 -2.1828 -2.1828 -1.9914 -1.9914 -1.0901 -1.0901 -0.6436 -0.6436 -0.5487 -0.5487 1.0902 1.0902 4.2866 4.2866 4.6107 4.6107 6.1710 6.1710 6.5237 6.5237 8.5794 8.5794 k = 0.4479-0.0000 0.3015 ( 6435 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8614 -42.8614 -42.2020 -42.2020 -41.1056 -41.1056 -41.0628 -41.0628 -40.8805 -40.8805 -40.8230 -40.8230 -24.7312 -24.7312 -22.7480 -22.7480 -20.1142 -20.1142 -19.0429 -19.0429 -8.6017 -8.6017 -7.6132 -7.6132 -6.0673 -6.0673 -3.6576 -3.6576 -3.4738 -3.4738 -3.3431 -3.3431 -2.1860 -2.1860 -1.9849 -1.9849 -1.0908 -1.0908 -0.6440 -0.6440 -0.5471 -0.5471 1.0886 1.0886 4.2250 4.2250 4.6245 4.6245 6.2009 6.2009 6.5686 6.5686 8.5624 8.5624 k = 0.4375-0.0000 0.2945 ( 6433 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8614 -42.8614 -42.2020 -42.2020 -41.1056 -41.1056 -41.0628 -41.0628 -40.8804 -40.8804 -40.8229 -40.8229 -24.7358 -24.7358 -22.7394 -22.7394 -20.1191 -20.1191 -19.0430 -19.0430 -8.6052 -8.6052 -7.6150 -7.6150 -6.0639 -6.0639 -3.6517 -3.6517 -3.4641 -3.4641 -3.3528 -3.3528 -2.1898 -2.1898 -1.9772 -1.9772 -1.0917 -1.0917 -0.6445 -0.6445 -0.5450 -0.5450 1.0864 1.0864 4.1608 4.1608 4.6337 4.6337 6.2336 6.2336 6.6236 6.6236 8.5425 8.5425 k = 0.4271-0.0000 0.2875 ( 6431 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8614 -42.8614 -42.2020 -42.2020 -41.1055 -41.1055 -41.0628 -41.0628 -40.8803 -40.8803 -40.8229 -40.8229 -24.7411 -24.7411 -22.7293 -22.7293 -20.1250 -20.1250 -19.0432 -19.0432 -8.6092 -8.6092 -7.6170 -7.6170 -6.0598 -6.0598 -3.6448 -3.6448 -3.4555 -3.4555 -3.3614 -3.3614 -2.1943 -2.1943 -1.9684 -1.9684 -1.0926 -1.0926 -0.6451 -0.6451 -0.5426 -0.5426 1.0834 1.0834 4.0948 4.0948 4.6390 4.6390 6.2679 6.2679 6.6883 6.6883 8.5203 8.5203 k = 0.4167-0.0000 0.2804 ( 6432 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8614 -42.8614 -42.2019 -42.2019 -41.1055 -41.1055 -41.0628 -41.0628 -40.8802 -40.8802 -40.8229 -40.8229 -24.7472 -24.7472 -22.7177 -22.7177 -20.1317 -20.1317 -19.0433 -19.0433 -8.6138 -8.6138 -7.6194 -7.6194 -6.0548 -6.0548 -3.6370 -3.6370 -3.4514 -3.4514 -3.3652 -3.3652 -2.1995 -2.1995 -1.9584 -1.9584 -1.0935 -1.0935 -0.6457 -0.6457 -0.5399 -0.5399 1.0796 1.0796 4.0277 4.0277 4.6410 4.6410 6.3030 6.3030 6.7618 6.7618 8.4962 8.4962 k = 0.4062-0.0000 0.2734 ( 6432 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1055 -41.1055 -41.0628 -41.0628 -40.8801 -40.8801 -40.8229 -40.8229 -24.7539 -24.7539 -22.7048 -22.7048 -20.1393 -20.1393 -19.0434 -19.0434 -8.6191 -8.6191 -7.6220 -7.6220 -6.0490 -6.0490 -3.6283 -3.6283 -3.4555 -3.4555 -3.3607 -3.3607 -2.2054 -2.2054 -1.9476 -1.9476 -1.0943 -1.0943 -0.6464 -0.6464 -0.5367 -0.5367 1.0748 1.0748 3.9600 3.9600 4.6407 4.6407 6.3383 6.3383 6.8431 6.8431 8.4704 8.4704 k = 0.3958-0.0000 0.2664 ( 6436 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1055 -41.1055 -41.0628 -41.0628 -40.8800 -40.8800 -40.8228 -40.8228 -24.7613 -24.7613 -22.6906 -22.6906 -20.1477 -20.1477 -19.0436 -19.0436 -8.6249 -8.6249 -7.6250 -7.6250 -6.0422 -6.0422 -3.6190 -3.6190 -3.4679 -3.4679 -3.3476 -3.3476 -2.2119 -2.2119 -1.9360 -1.9360 -1.0951 -1.0951 -0.6472 -0.6472 -0.5332 -0.5332 1.0689 1.0689 3.8923 3.8923 4.6386 4.6386 6.3736 6.3736 6.9308 6.9308 8.4436 8.4436 k = 0.3854-0.0000 0.2594 ( 6439 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8614 -42.8614 -42.2019 -42.2019 -41.1055 -41.1055 -41.0628 -41.0628 -40.8799 -40.8799 -40.8228 -40.8228 -24.7692 -24.7692 -22.6751 -22.6751 -20.1570 -20.1570 -19.0438 -19.0438 -8.6313 -8.6313 -7.6281 -7.6281 -6.0346 -6.0346 -3.6094 -3.6094 -3.4858 -3.4858 -3.3285 -3.3285 -2.2190 -2.2190 -1.9237 -1.9237 -1.0957 -1.0957 -0.6481 -0.6481 -0.5294 -0.5294 1.0618 1.0618 3.8250 3.8250 4.6354 4.6354 6.4084 6.4084 7.0238 7.0238 8.4160 8.4160 k = 0.3750-0.0000 0.2524 ( 6439 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8614 -42.8614 -42.2019 -42.2019 -41.1055 -41.1055 -41.0627 -41.0627 -40.8798 -40.8798 -40.8227 -40.8227 -24.7777 -24.7777 -22.6585 -22.6585 -20.1670 -20.1670 -19.0439 -19.0439 -8.6382 -8.6382 -7.6315 -7.6315 -6.0258 -6.0258 -3.6000 -3.6000 -3.5061 -3.5061 -3.3057 -3.3057 -2.2268 -2.2268 -1.9109 -1.9109 -1.0960 -1.0960 -0.6490 -0.6490 -0.5252 -0.5252 1.0534 1.0534 3.7584 3.7584 4.6318 4.6318 6.4425 6.4425 7.1210 7.1210 8.3882 8.3882 k = 0.3646-0.0000 0.2454 ( 6443 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1054 -41.1054 -41.0627 -41.0627 -40.8796 -40.8796 -40.8227 -40.8227 -24.7866 -24.7866 -22.6407 -22.6407 -20.1778 -20.1778 -19.0441 -19.0441 -8.6457 -8.6457 -7.6351 -7.6351 -6.0160 -6.0160 -3.5933 -3.5933 -3.5257 -3.5257 -3.2803 -3.2803 -2.2352 -2.2352 -1.8976 -1.8976 -1.0961 -1.0961 -0.6499 -0.6499 -0.5206 -0.5206 1.0436 1.0436 3.6926 3.6926 4.6282 4.6282 6.4754 6.4754 7.2211 7.2211 8.3608 8.3608 k = 0.3542-0.0000 0.2384 ( 6434 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1054 -41.1054 -41.0627 -41.0627 -40.8795 -40.8795 -40.8226 -40.8226 -24.7959 -24.7959 -22.6218 -22.6218 -20.1894 -20.1894 -19.0443 -19.0443 -8.6536 -8.6536 -7.6388 -7.6388 -6.0051 -6.0051 -3.5954 -3.5954 -3.5376 -3.5376 -3.2529 -3.2529 -2.2442 -2.2442 -1.8839 -1.8839 -1.0959 -1.0959 -0.6508 -0.6508 -0.5157 -0.5157 1.0324 1.0324 3.6278 3.6278 4.6253 4.6253 6.5066 6.5066 7.3232 7.3232 8.3345 8.3345 k = 0.3438-0.0000 0.2314 ( 6433 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1053 -41.1053 -41.0627 -41.0627 -40.8793 -40.8793 -40.8226 -40.8226 -24.8055 -24.8055 -22.6020 -22.6020 -20.2017 -20.2017 -19.0446 -19.0446 -8.6621 -8.6621 -7.6427 -7.6427 -5.9929 -5.9929 -3.6123 -3.6123 -3.5358 -3.5358 -3.2241 -3.2241 -2.2537 -2.2537 -1.8699 -1.8699 -1.0953 -1.0953 -0.6518 -0.6518 -0.5105 -0.5105 1.0198 1.0198 3.5641 3.5641 4.6233 4.6233 6.5358 6.5358 7.4261 7.4261 8.3098 8.3098 k = 0.3333-0.0000 0.2244 ( 6423 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2018 -42.2018 -41.1053 -41.1053 -41.0627 -41.0627 -40.8791 -40.8791 -40.8225 -40.8225 -24.8155 -24.8155 -22.5813 -22.5813 -20.2147 -20.2147 -19.0448 -19.0448 -8.6709 -8.6709 -7.6468 -7.6468 -5.9795 -5.9795 -3.6383 -3.6383 -3.5254 -3.5254 -3.1940 -3.1940 -2.2639 -2.2639 -1.8557 -1.8557 -1.0943 -1.0943 -0.6528 -0.6528 -0.5049 -0.5049 1.0057 1.0057 3.5015 3.5015 4.6226 4.6226 6.5622 6.5622 7.5288 7.5288 8.2877 8.2877 k = 0.3229-0.0000 0.2173 ( 6418 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2018 -42.2018 -41.1053 -41.1053 -41.0627 -41.0627 -40.8789 -40.8789 -40.8224 -40.8224 -24.8257 -24.8257 -22.5597 -22.5597 -20.2283 -20.2283 -19.0450 -19.0450 -8.6802 -8.6802 -7.6509 -7.6509 -5.9649 -5.9649 -3.6684 -3.6684 -3.5115 -3.5115 -3.1631 -3.1631 -2.2746 -2.2746 -1.8414 -1.8414 -1.0928 -1.0928 -0.6537 -0.6537 -0.4990 -0.4990 0.9903 0.9903 3.4400 3.4400 4.6236 4.6236 6.5853 6.5853 7.6299 7.6299 8.2690 8.2690 k = 0.3125-0.0000 0.2103 ( 6418 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2018 -42.2018 -41.1052 -41.1052 -41.0627 -41.0627 -40.8788 -40.8788 -40.8223 -40.8223 -24.8360 -24.8360 -22.5374 -22.5374 -20.2426 -20.2426 -19.0453 -19.0453 -8.6898 -8.6898 -7.6552 -7.6552 -5.9490 -5.9490 -3.7008 -3.7008 -3.4959 -3.4959 -3.1315 -3.1315 -2.2859 -2.2859 -1.8271 -1.8271 -1.0910 -1.0910 -0.6547 -0.6547 -0.4928 -0.4928 0.9737 0.9737 3.3794 3.3794 4.6265 4.6265 6.6045 6.6045 7.7281 7.7281 8.2549 8.2549 k = 0.3021-0.0000 0.2033 ( 6418 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1052 -41.1052 -41.0627 -41.0627 -40.8786 -40.8786 -40.8223 -40.8223 -24.8466 -24.8466 -22.5145 -22.5145 -20.2575 -20.2575 -19.0455 -19.0455 -8.6998 -8.6998 -7.6596 -7.6596 -5.9317 -5.9317 -3.7348 -3.7348 -3.4790 -3.4790 -3.0994 -3.0994 -2.2978 -2.2978 -1.8127 -1.8127 -1.0887 -1.0887 -0.6557 -0.6557 -0.4863 -0.4863 0.9560 0.9560 3.3196 3.3196 4.6315 4.6315 6.6191 6.6191 7.8215 7.8215 8.2465 8.2465 k = 0.2917-0.0000 0.1963 ( 6421 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1052 -41.1052 -41.0627 -41.0627 -40.8784 -40.8784 -40.8222 -40.8222 -24.8572 -24.8572 -22.4909 -22.4909 -20.2730 -20.2730 -19.0458 -19.0458 -8.7102 -8.7102 -7.6641 -7.6641 -5.9131 -5.9131 -3.7700 -3.7700 -3.4613 -3.4613 -3.0672 -3.0672 -2.3101 -2.3101 -1.7984 -1.7984 -1.0861 -1.0861 -0.6566 -0.6566 -0.4795 -0.4795 0.9375 0.9375 3.2606 3.2606 4.6387 4.6387 6.6288 6.6288 7.9078 7.9078 8.2453 8.2453 k = 0.2812-0.0000 0.1893 ( 6416 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1051 -41.1051 -41.0627 -41.0627 -40.8782 -40.8782 -40.8221 -40.8221 -24.8678 -24.8678 -22.4668 -22.4668 -20.2889 -20.2889 -19.0461 -19.0461 -8.7207 -8.7207 -7.6686 -7.6686 -5.8932 -5.8932 -3.8062 -3.8062 -3.4427 -3.4427 -3.0349 -3.0349 -2.3230 -2.3230 -1.7842 -1.7842 -1.0830 -1.0830 -0.6575 -0.6575 -0.4723 -0.4723 0.9184 0.9184 3.2022 3.2022 4.6482 4.6482 6.6331 6.6331 7.9841 7.9841 8.2532 8.2532 k = 0.2708-0.0000 0.1823 ( 6416 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1051 -41.1051 -41.0627 -41.0627 -40.8780 -40.8780 -40.8221 -40.8221 -24.8785 -24.8785 -22.4422 -22.4422 -20.3054 -20.3054 -19.0463 -19.0463 -8.7314 -8.7314 -7.6731 -7.6731 -5.8719 -5.8719 -3.8433 -3.8433 -3.4235 -3.4235 -3.0027 -3.0027 -2.3364 -2.3364 -1.7702 -1.7702 -1.0796 -1.0796 -0.6583 -0.6583 -0.4650 -0.4650 0.8990 0.8990 3.1443 3.1443 4.6599 4.6599 6.6318 6.6318 8.0468 8.0468 8.2726 8.2726 k = 0.2604-0.0000 0.1753 ( 6413 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1051 -41.1051 -41.0626 -41.0626 -40.8778 -40.8778 -40.8220 -40.8220 -24.8890 -24.8890 -22.4173 -22.4173 -20.3223 -20.3223 -19.0466 -19.0466 -8.7423 -8.7423 -7.6776 -7.6776 -5.8493 -5.8493 -3.8813 -3.8813 -3.4037 -3.4037 -2.9709 -2.9709 -2.3503 -2.3503 -1.7563 -1.7563 -1.0759 -1.0759 -0.6591 -0.6591 -0.4573 -0.4573 0.8796 0.8796 3.0867 3.0867 4.6740 4.6740 6.6250 6.6250 8.0939 8.0939 8.3042 8.3042 k = 0.2500-0.0000 0.1683 ( 6413 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1050 -41.1050 -41.0626 -41.0626 -40.8776 -40.8776 -40.8219 -40.8219 -24.8995 -24.8995 -22.3922 -22.3922 -20.3395 -20.3395 -19.0469 -19.0469 -8.7532 -8.7532 -7.6822 -7.6822 -5.8253 -5.8253 -3.9200 -3.9200 -3.3833 -3.3833 -2.9396 -2.9396 -2.3647 -2.3647 -1.7426 -1.7426 -1.0720 -1.0720 -0.6598 -0.6598 -0.4494 -0.4494 0.8605 0.8605 3.0293 3.0293 4.6902 4.6902 6.6129 6.6129 8.1270 8.1270 8.3454 8.3454 k = 0.2396-0.0000 0.1613 ( 6416 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1050 -41.1050 -41.0626 -41.0626 -40.8774 -40.8774 -40.8219 -40.8219 -24.9099 -24.9099 -22.3668 -22.3668 -20.3571 -20.3571 -19.0472 -19.0472 -8.7643 -8.7643 -7.6867 -7.6867 -5.8000 -5.8000 -3.9593 -3.9593 -3.3624 -3.3624 -2.9090 -2.9090 -2.3795 -2.3795 -1.7292 -1.7292 -1.0680 -1.0680 -0.6604 -0.6604 -0.4413 -0.4413 0.8420 0.8420 2.9720 2.9720 4.7084 4.7084 6.5959 6.5959 8.1502 8.1502 8.3920 8.3920 k = 0.2292-0.0000 0.1542 ( 6409 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1049 -41.1049 -41.0626 -41.0626 -40.8772 -40.8772 -40.8218 -40.8218 -24.9201 -24.9201 -22.3413 -22.3413 -20.3750 -20.3750 -19.0474 -19.0474 -8.7752 -8.7752 -7.6911 -7.6911 -5.7735 -5.7735 -3.9993 -3.9993 -3.3411 -3.3411 -2.8791 -2.8791 -2.3948 -2.3948 -1.7159 -1.7159 -1.0639 -1.0639 -0.6610 -0.6610 -0.4329 -0.4329 0.8245 0.8245 2.9147 2.9147 4.7285 4.7285 6.5744 6.5744 8.1668 8.1668 8.4410 8.4410 k = 0.2188-0.0000 0.1472 ( 6409 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1049 -41.1049 -41.0626 -41.0626 -40.8770 -40.8770 -40.8217 -40.8217 -24.9300 -24.9300 -22.3158 -22.3158 -20.3930 -20.3930 -19.0477 -19.0477 -8.7861 -8.7861 -7.6955 -7.6955 -5.7457 -5.7457 -4.0397 -4.0397 -3.3194 -3.3194 -2.8502 -2.8502 -2.4106 -2.4106 -1.7030 -1.7030 -1.0599 -1.0599 -0.6615 -0.6615 -0.4244 -0.4244 0.8084 0.8084 2.8574 2.8574 4.7504 4.7504 6.5492 6.5492 8.1786 8.1786 8.4915 8.4915 k = 0.2083-0.0000 0.1402 ( 6416 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1049 -41.1049 -41.0626 -41.0626 -40.8769 -40.8769 -40.8217 -40.8217 -24.9398 -24.9398 -22.2904 -22.2904 -20.4112 -20.4112 -19.0480 -19.0480 -8.7970 -8.7970 -7.6998 -7.6998 -5.7166 -5.7166 -4.0807 -4.0807 -3.2973 -3.2973 -2.8223 -2.8223 -2.4267 -2.4267 -1.6904 -1.6904 -1.0560 -1.0560 -0.6620 -0.6620 -0.4158 -0.4158 0.7939 0.7939 2.8001 2.8001 4.7737 4.7737 6.5208 6.5208 8.1864 8.1864 8.5439 8.5439 k = 0.1979-0.0000 0.1332 ( 6417 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1048 -41.1048 -41.0626 -41.0626 -40.8767 -40.8767 -40.8216 -40.8216 -24.9492 -24.9492 -22.2651 -22.2651 -20.4295 -20.4295 -19.0483 -19.0483 -8.8077 -8.8077 -7.7040 -7.7040 -5.6864 -5.6864 -4.1221 -4.1221 -3.2749 -3.2749 -2.7956 -2.7956 -2.4433 -2.4433 -1.6782 -1.6782 -1.0524 -1.0524 -0.6623 -0.6623 -0.4071 -0.4071 0.7814 0.7814 2.7427 2.7427 4.7982 4.7982 6.4900 6.4900 8.1908 8.1908 8.5983 8.5983 k = 0.1875-0.0000 0.1262 ( 6418 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1048 -41.1048 -41.0626 -41.0626 -40.8765 -40.8765 -40.8216 -40.8216 -24.9584 -24.9584 -22.2401 -22.2401 -20.4478 -20.4478 -19.0485 -19.0485 -8.8181 -8.8181 -7.7081 -7.7081 -5.6550 -5.6550 -4.1640 -4.1640 -3.2521 -3.2521 -2.7701 -2.7701 -2.4602 -2.4602 -1.6663 -1.6663 -1.0491 -1.0491 -0.6626 -0.6626 -0.3984 -0.3984 0.7711 0.7711 2.6852 2.6852 4.8237 4.8237 6.4575 6.4575 8.1922 8.1922 8.6547 8.6547 k = 0.1771-0.0000 0.1192 ( 6414 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2017 -42.2017 -41.1048 -41.1048 -41.0626 -41.0626 -40.8763 -40.8763 -40.8215 -40.8215 -24.9671 -24.9671 -22.2154 -22.2154 -20.4660 -20.4660 -19.0488 -19.0488 -8.8282 -8.8282 -7.7121 -7.7121 -5.6225 -5.6225 -4.2061 -4.2061 -3.2291 -3.2291 -2.7459 -2.7459 -2.4776 -2.4776 -1.6548 -1.6548 -1.0461 -1.0461 -0.6629 -0.6629 -0.3896 -0.3896 0.7634 0.7634 2.6278 2.6278 4.8500 4.8500 6.4237 6.4237 8.1912 8.1912 8.7122 8.7122 k = 0.1667-0.0000 0.1122 ( 6423 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1047 -41.1047 -41.0626 -41.0626 -40.8761 -40.8761 -40.8215 -40.8215 -24.9756 -24.9756 -22.1912 -22.1912 -20.4840 -20.4840 -19.0490 -19.0490 -8.8381 -8.8381 -7.7159 -7.7159 -5.5890 -5.5890 -4.2487 -4.2487 -3.2060 -3.2060 -2.7231 -2.7231 -2.4953 -2.4953 -1.6438 -1.6438 -1.0437 -1.0437 -0.6631 -0.6631 -0.3811 -0.3811 0.7584 0.7584 2.5705 2.5705 4.8766 4.8766 6.3894 6.3894 8.1884 8.1884 8.7692 8.7692 k = 0.1562-0.0000 0.1052 ( 6431 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2016 -42.2016 -41.1047 -41.1047 -41.0626 -41.0626 -40.8760 -40.8760 -40.8214 -40.8214 -24.9836 -24.9836 -22.1676 -22.1676 -20.5018 -20.5018 -19.0492 -19.0492 -8.8476 -8.8476 -7.7196 -7.7196 -5.5544 -5.5544 -4.2915 -4.2915 -3.1827 -3.1827 -2.7018 -2.7018 -2.5133 -2.5133 -1.6333 -1.6333 -1.0417 -1.0417 -0.6633 -0.6633 -0.3727 -0.3727 0.7562 0.7562 2.5135 2.5135 4.9034 4.9034 6.3550 6.3550 8.1843 8.1843 8.8234 8.8234 k = 0.1458-0.0000 0.0982 ( 6433 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1047 -41.1047 -41.0626 -41.0626 -40.8758 -40.8758 -40.8214 -40.8214 -24.9912 -24.9912 -22.1446 -22.1446 -20.5192 -20.5192 -19.0495 -19.0495 -8.8567 -8.8567 -7.7231 -7.7231 -5.5190 -5.5190 -4.3346 -4.3346 -3.1592 -3.1592 -2.6819 -2.6819 -2.5317 -2.5317 -1.6233 -1.6233 -1.0402 -1.0402 -0.6634 -0.6634 -0.3645 -0.3645 0.7571 0.7571 2.4568 2.4568 4.9300 4.9300 6.3210 6.3210 8.1794 8.1794 8.8719 8.8719 k = 0.1354-0.0000 0.0911 ( 6432 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1047 -41.1047 -41.0626 -41.0626 -40.8757 -40.8757 -40.8213 -40.8213 -24.9984 -24.9984 -22.1224 -22.1224 -20.5362 -20.5362 -19.0497 -19.0497 -8.8654 -8.8654 -7.7264 -7.7264 -5.4825 -5.4825 -4.3779 -4.3779 -3.1355 -3.1355 -2.6635 -2.6635 -2.5502 -2.5502 -1.6139 -1.6139 -1.0392 -1.0392 -0.6635 -0.6635 -0.3567 -0.3567 0.7609 0.7609 2.4007 2.4007 4.9563 4.9563 6.2878 6.2878 8.1739 8.1739 8.9122 8.9122 k = 0.1250-0.0000 0.0841 ( 6427 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1046 -41.1046 -41.0626 -41.0626 -40.8755 -40.8755 -40.8213 -40.8213 -25.0051 -25.0051 -22.1012 -22.1012 -20.5525 -20.5525 -19.0499 -19.0499 -8.8735 -8.8735 -7.7296 -7.7296 -5.4452 -5.4452 -4.4214 -4.4214 -3.1119 -3.1119 -2.6468 -2.6468 -2.5689 -2.5689 -1.6050 -1.6050 -1.0387 -1.0387 -0.6635 -0.6635 -0.3493 -0.3493 0.7677 0.7677 2.3455 2.3455 4.9818 4.9818 6.2559 6.2559 8.1681 8.1681 8.9433 8.9433 k = 0.1146-0.0000 0.0771 ( 6431 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1046 -41.1046 -41.0626 -41.0626 -40.8754 -40.8754 -40.8212 -40.8212 -25.0114 -25.0114 -22.0809 -22.0809 -20.5682 -20.5682 -19.0501 -19.0501 -8.8812 -8.8812 -7.7325 -7.7325 -5.4072 -5.4072 -4.4651 -4.4651 -3.0882 -3.0882 -2.6323 -2.6323 -2.5871 -2.5871 -1.5968 -1.5968 -1.0386 -1.0386 -0.6636 -0.6636 -0.3425 -0.3425 0.7771 0.7771 2.2913 2.2913 5.0064 5.0064 6.2254 6.2254 8.1623 8.1623 8.9659 8.9659 k = 0.1042-0.0000 0.0701 ( 6437 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1046 -41.1046 -41.0626 -41.0626 -40.8753 -40.8753 -40.8212 -40.8212 -25.0172 -25.0172 -22.0619 -22.0619 -20.5831 -20.5831 -19.0502 -19.0502 -8.8883 -8.8883 -7.7352 -7.7352 -5.3684 -5.3684 -4.5090 -4.5090 -3.0645 -3.0645 -2.6237 -2.6237 -2.6012 -2.6012 -1.5893 -1.5893 -1.0389 -1.0389 -0.6637 -0.6637 -0.3361 -0.3361 0.7891 0.7891 2.2387 2.2387 5.0298 5.0298 6.1968 6.1968 8.1567 8.1567 8.9818 8.9818 k = 0.0938-0.0000 0.0631 ( 6429 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1046 -41.1046 -41.0625 -41.0625 -40.8751 -40.8751 -40.8212 -40.8212 -25.0224 -25.0224 -22.0441 -22.0441 -20.5971 -20.5971 -19.0504 -19.0504 -8.8948 -8.8948 -7.7376 -7.7376 -5.3288 -5.3288 -4.5529 -4.5529 -3.0408 -3.0408 -2.6335 -2.6335 -2.5986 -2.5986 -1.5824 -1.5824 -1.0395 -1.0395 -0.6637 -0.6637 -0.3303 -0.3303 0.8031 0.8031 2.1879 2.1879 5.0518 5.0518 6.1702 6.1702 8.1514 8.1514 8.9927 8.9927 k = 0.0833-0.0000 0.0561 ( 6429 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8750 -40.8750 -40.8212 -40.8212 -25.0271 -25.0271 -22.0278 -22.0278 -20.6100 -20.6100 -19.0505 -19.0505 -8.9007 -8.9007 -7.7399 -7.7399 -5.2887 -5.2887 -4.5970 -4.5970 -3.0172 -3.0172 -2.6519 -2.6519 -2.5890 -2.5890 -1.5762 -1.5762 -1.0403 -1.0403 -0.6637 -0.6637 -0.3251 -0.3251 0.8188 0.8188 2.1396 2.1396 5.0721 5.0721 6.1459 6.1459 8.1464 8.1464 9.0001 9.0001 k = 0.0729-0.0000 0.0491 ( 6423 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8749 -40.8749 -40.8211 -40.8211 -25.0314 -25.0314 -22.0129 -22.0129 -20.6218 -20.6218 -19.0507 -19.0507 -8.9059 -8.9059 -7.7418 -7.7418 -5.2480 -5.2480 -4.6411 -4.6411 -2.9938 -2.9938 -2.6717 -2.6717 -2.5796 -2.5796 -1.5708 -1.5708 -1.0413 -1.0413 -0.6638 -0.6638 -0.3205 -0.3205 0.8356 0.8356 2.0942 2.0942 5.0905 5.0905 6.1241 6.1241 8.1419 8.1419 9.0050 9.0050 k = 0.0625-0.0000 0.0421 ( 6420 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8749 -40.8749 -40.8211 -40.8211 -25.0350 -25.0350 -21.9998 -21.9998 -20.6323 -20.6323 -19.0508 -19.0508 -8.9105 -8.9105 -7.7436 -7.7436 -5.2068 -5.2068 -4.6852 -4.6852 -2.9705 -2.9705 -2.6921 -2.6921 -2.5712 -2.5712 -1.5661 -1.5661 -1.0423 -1.0423 -0.6638 -0.6638 -0.3166 -0.3166 0.8527 0.8527 2.0523 2.0523 5.1069 5.1069 6.1049 6.1049 8.1379 8.1379 9.0081 9.0081 k = 0.0521-0.0000 0.0351 ( 6420 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8748 -40.8748 -40.8210 -40.8210 -25.0381 -25.0381 -21.9885 -21.9885 -20.6414 -20.6414 -19.0509 -19.0509 -8.9145 -8.9145 -7.7451 -7.7451 -5.1651 -5.1651 -4.7293 -4.7293 -2.9476 -2.9476 -2.7127 -2.7127 -2.5641 -2.5641 -1.5621 -1.5621 -1.0433 -1.0433 -0.6638 -0.6638 -0.3132 -0.3132 0.8694 0.8694 2.0149 2.0149 5.1210 5.1210 6.0884 6.0884 8.1345 8.1345 9.0101 9.0101 k = 0.0417-0.0000 0.0280 ( 6418 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0407 -25.0407 -21.9790 -21.9790 -20.6490 -20.6490 -19.0510 -19.0510 -8.9177 -8.9177 -7.7463 -7.7463 -5.1230 -5.1230 -4.7733 -4.7733 -2.9250 -2.9250 -2.7332 -2.7332 -2.5582 -2.5582 -1.5589 -1.5589 -1.0443 -1.0443 -0.6639 -0.6639 -0.3105 -0.3105 0.8848 0.8848 1.9826 1.9826 5.1328 5.1328 6.0748 6.0748 8.1317 8.1317 9.0112 9.0112 k = 0.0312-0.0000 0.0210 ( 6413 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0427 -25.0427 -21.9716 -21.9716 -20.6550 -20.6550 -19.0510 -19.0510 -8.9202 -8.9202 -7.7472 -7.7472 -5.0807 -5.0807 -4.8171 -4.8171 -2.9032 -2.9032 -2.7535 -2.7535 -2.5537 -2.5537 -1.5564 -1.5564 -1.0451 -1.0451 -0.6639 -0.6639 -0.3084 -0.3084 0.8981 0.8981 1.9563 1.9563 5.1421 5.1421 6.0641 6.0641 8.1295 8.1295 9.0117 9.0117 k = 0.0208-0.0000 0.0140 ( 6422 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0441 -25.0441 -21.9662 -21.9662 -20.6594 -20.6594 -19.0511 -19.0511 -8.9220 -8.9220 -7.7479 -7.7479 -5.0384 -5.0384 -4.8606 -4.8606 -2.8829 -2.8829 -2.7728 -2.7728 -2.5505 -2.5505 -1.5546 -1.5546 -1.0457 -1.0457 -0.6639 -0.6639 -0.3069 -0.3069 0.9082 0.9082 1.9368 1.9368 5.1487 5.1487 6.0564 6.0564 8.1279 8.1279 9.0120 9.0120 k = 0.0104-0.0000 0.0070 ( 6416 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0450 -25.0450 -21.9630 -21.9630 -20.6620 -20.6620 -19.0511 -19.0511 -8.9231 -8.9231 -7.7483 -7.7483 -4.9967 -4.9967 -4.9029 -4.9029 -2.8660 -2.8660 -2.7890 -2.7890 -2.5485 -2.5485 -1.5535 -1.5535 -1.0460 -1.0460 -0.6639 -0.6639 -0.3060 -0.3060 0.9147 0.9147 1.9248 1.9248 5.1528 5.1528 6.0518 6.0518 8.1269 8.1269 9.0121 9.0121 k = 0.0000 0.0000 0.0000 ( 6409 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0453 -25.0453 -21.9619 -21.9619 -20.6629 -20.6629 -19.0511 -19.0511 -8.9234 -8.9234 -7.7485 -7.7485 -4.9671 -4.9671 -4.9326 -4.9326 -2.8585 -2.8585 -2.7963 -2.7963 -2.5478 -2.5478 -1.5531 -1.5531 -1.0462 -1.0462 -0.6639 -0.6639 -0.3057 -0.3057 0.9169 0.9169 1.9207 1.9207 5.1541 5.1541 6.0503 6.0503 8.1266 8.1266 9.0121 9.0121 k = 0.0000 0.0000 0.0000 ( 6409 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0453 -25.0453 -21.9619 -21.9619 -20.6629 -20.6629 -19.0511 -19.0511 -8.9234 -8.9234 -7.7485 -7.7485 -4.9671 -4.9671 -4.9326 -4.9326 -2.8585 -2.8585 -2.7963 -2.7963 -2.5478 -2.5478 -1.5531 -1.5531 -1.0462 -1.0462 -0.6639 -0.6639 -0.3057 -0.3057 0.9169 0.9169 1.9207 1.9207 5.1541 5.1541 6.0503 6.0503 8.1266 8.1266 9.0121 9.0121 k = 0.0000 0.0093 0.0082 ( 6413 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0453 -25.0453 -21.9619 -21.9619 -20.6629 -20.6629 -19.0511 -19.0511 -8.9234 -8.9234 -7.7485 -7.7485 -4.9672 -4.9672 -4.9326 -4.9326 -2.8585 -2.8585 -2.7964 -2.7964 -2.5479 -2.5479 -1.5526 -1.5526 -1.0468 -1.0468 -0.6640 -0.6640 -0.3058 -0.3058 0.9163 0.9163 1.9234 1.9234 5.1527 5.1527 6.0492 6.0492 8.1271 8.1271 9.0123 9.0123 k = 0.0000 0.0187 0.0164 ( 6414 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0453 -25.0453 -21.9619 -21.9619 -20.6629 -20.6629 -19.0511 -19.0511 -8.9235 -8.9235 -7.7486 -7.7486 -4.9673 -4.9673 -4.9325 -4.9325 -2.8586 -2.8586 -2.7964 -2.7964 -2.5481 -2.5481 -1.5511 -1.5511 -1.0487 -1.0487 -0.6643 -0.6643 -0.3060 -0.3060 0.9144 0.9144 1.9315 1.9315 5.1485 5.1485 6.0459 6.0459 8.1288 8.1288 9.0125 9.0125 k = 0.0000 0.0280 0.0246 ( 6417 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0453 -25.0453 -21.9619 -21.9619 -20.6629 -20.6629 -19.0511 -19.0511 -8.9235 -8.9235 -7.7488 -7.7488 -4.9674 -4.9674 -4.9325 -4.9325 -2.8588 -2.8588 -2.7966 -2.7966 -2.5484 -2.5484 -1.5486 -1.5486 -1.0518 -1.0518 -0.6648 -0.6648 -0.3063 -0.3063 0.9115 0.9115 1.9449 1.9449 5.1417 5.1417 6.0402 6.0402 8.1320 8.1320 9.0116 9.0116 k = 0.0000 0.0374 0.0328 ( 6419 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0453 -25.0453 -21.9619 -21.9619 -20.6629 -20.6629 -19.0511 -19.0511 -8.9235 -8.9235 -7.7490 -7.7490 -4.9676 -4.9676 -4.9323 -4.9323 -2.8590 -2.8590 -2.7968 -2.7968 -2.5488 -2.5488 -1.5451 -1.5451 -1.0560 -1.0560 -0.6655 -0.6655 -0.3067 -0.3067 0.9076 0.9076 1.9634 1.9634 5.1323 5.1323 6.0320 6.0320 8.1372 8.1372 9.0079 9.0079 k = 0.0000 0.0467 0.0410 ( 6421 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0452 -25.0452 -21.9619 -21.9619 -20.6629 -20.6629 -19.0511 -19.0511 -8.9236 -8.9236 -7.7494 -7.7494 -4.9679 -4.9679 -4.9321 -4.9321 -2.8592 -2.8592 -2.7971 -2.7971 -2.5493 -2.5493 -1.5408 -1.5408 -1.0614 -1.0614 -0.6664 -0.6664 -0.3072 -0.3072 0.9028 0.9028 1.9868 1.9868 5.1205 5.1205 6.0208 6.0208 8.1450 8.1450 8.9990 8.9990 k = 0.0000 0.0561 0.0492 ( 6428 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0452 -25.0452 -21.9619 -21.9619 -20.6629 -20.6629 -19.0511 -19.0511 -8.9236 -8.9236 -7.7497 -7.7497 -4.9681 -4.9681 -4.9320 -4.9320 -2.8596 -2.8596 -2.7974 -2.7974 -2.5498 -2.5498 -1.5357 -1.5357 -1.0679 -1.0679 -0.6674 -0.6674 -0.3078 -0.3078 0.8974 0.8974 2.0149 2.0149 5.1068 5.1068 6.0065 6.0065 8.1559 8.1559 8.9820 8.9820 k = 0.0000 0.0654 0.0575 ( 6434 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0452 -25.0452 -21.9620 -21.9620 -20.6629 -20.6629 -19.0511 -19.0511 -8.9237 -8.9237 -7.7502 -7.7502 -4.9685 -4.9685 -4.9318 -4.9318 -2.8600 -2.8600 -2.7978 -2.7978 -2.5504 -2.5504 -1.5298 -1.5298 -1.0753 -1.0753 -0.6686 -0.6686 -0.3085 -0.3085 0.8916 0.8916 2.0474 2.0474 5.0913 5.0913 5.9887 5.9887 8.1707 8.1707 8.9545 8.9545 k = 0.0000 0.0748 0.0657 ( 6422 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0452 -25.0452 -21.9620 -21.9620 -20.6628 -20.6628 -19.0511 -19.0511 -8.9238 -8.9238 -7.7507 -7.7507 -4.9688 -4.9688 -4.9315 -4.9315 -2.8604 -2.8604 -2.7983 -2.7983 -2.5509 -2.5509 -1.5232 -1.5232 -1.0836 -1.0836 -0.6699 -0.6699 -0.3092 -0.3092 0.8854 0.8854 2.0841 2.0841 5.0742 5.0742 5.9674 5.9674 8.1896 8.1896 8.9143 8.9143 k = 0.0000 0.0841 0.0739 ( 6430 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0452 -25.0452 -21.9620 -21.9620 -20.6628 -20.6628 -19.0511 -19.0511 -8.9239 -8.9239 -7.7512 -7.7512 -4.9692 -4.9692 -4.9313 -4.9313 -2.8608 -2.8608 -2.7988 -2.7988 -2.5515 -2.5515 -1.5162 -1.5162 -1.0926 -1.0926 -0.6714 -0.6714 -0.3099 -0.3099 0.8792 0.8792 2.1247 2.1247 5.0559 5.0559 5.9421 5.9421 8.2129 8.2129 8.8608 8.8608 k = 0.0000 0.0935 0.0821 ( 6433 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0451 -25.0451 -21.9621 -21.9621 -20.6628 -20.6628 -19.0511 -19.0511 -8.9239 -8.9239 -7.7518 -7.7518 -4.9695 -4.9695 -4.9312 -4.9312 -2.8613 -2.8613 -2.7993 -2.7993 -2.5520 -2.5520 -1.5090 -1.5090 -1.1021 -1.1021 -0.6730 -0.6730 -0.3106 -0.3106 0.8729 0.8729 2.1689 2.1689 5.0367 5.0367 5.9130 5.9130 8.2405 8.2405 8.7949 8.7949 k = 0.0000 0.1028 0.0903 ( 6425 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0451 -25.0451 -21.9621 -21.9621 -20.6628 -20.6628 -19.0511 -19.0511 -8.9240 -8.9240 -7.7525 -7.7525 -4.9699 -4.9699 -4.9310 -4.9310 -2.8618 -2.8618 -2.7999 -2.7999 -2.5524 -2.5524 -1.5015 -1.5015 -1.1120 -1.1120 -0.6747 -0.6747 -0.3113 -0.3113 0.8669 0.8669 2.2166 2.2166 5.0168 5.0168 5.8802 5.8802 8.2717 8.2717 8.7191 8.7191 k = 0.0000 0.1122 0.0985 ( 6424 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0451 -25.0451 -21.9621 -21.9621 -20.6628 -20.6628 -19.0510 -19.0510 -8.9241 -8.9241 -7.7532 -7.7532 -4.9702 -4.9702 -4.9309 -4.9309 -2.8624 -2.8624 -2.8005 -2.8005 -2.5526 -2.5526 -1.4942 -1.4942 -1.1220 -1.1220 -0.6765 -0.6765 -0.3119 -0.3119 0.8612 0.8612 2.2675 2.2675 4.9964 4.9964 5.8437 5.8437 8.3037 8.3037 8.6380 8.6380 k = 0.0000 0.1215 0.1067 ( 6428 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0450 -25.0450 -21.9621 -21.9621 -20.6628 -20.6628 -19.0510 -19.0510 -8.9242 -8.9242 -7.7539 -7.7539 -4.9706 -4.9706 -4.9310 -4.9310 -2.8629 -2.8629 -2.8012 -2.8012 -2.5528 -2.5528 -1.4871 -1.4871 -1.1319 -1.1319 -0.6784 -0.6784 -0.3125 -0.3125 0.8558 0.8558 2.3213 2.3213 4.9756 4.9756 5.8038 5.8038 8.3280 8.3280 8.5619 8.5619 k = 0.0000 0.1309 0.1149 ( 6436 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0450 -25.0450 -21.9622 -21.9622 -20.6627 -20.6627 -19.0510 -19.0510 -8.9244 -8.9244 -7.7548 -7.7548 -4.9709 -4.9709 -4.9310 -4.9310 -2.8635 -2.8635 -2.8019 -2.8019 -2.5528 -2.5528 -1.4806 -1.4806 -1.1414 -1.1414 -0.6803 -0.6803 -0.3131 -0.3131 0.8509 0.8509 2.3780 2.3780 4.9548 4.9548 5.7607 5.7607 8.3177 8.3177 8.5192 8.5192 k = 0.0000 0.1402 0.1231 ( 6429 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0450 -25.0450 -21.9622 -21.9622 -20.6627 -20.6627 -19.0510 -19.0510 -8.9245 -8.9245 -7.7556 -7.7556 -4.9712 -4.9712 -4.9311 -4.9311 -2.8641 -2.8641 -2.8026 -2.8026 -2.5525 -2.5525 -1.4750 -1.4750 -1.1502 -1.1502 -0.6824 -0.6824 -0.3136 -0.3136 0.8465 0.8465 2.4373 2.4373 4.9341 4.9341 5.7150 5.7150 8.2510 8.2510 8.5330 8.5330 k = 0.0000 0.1496 0.1313 ( 6424 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0449 -25.0449 -21.9622 -21.9622 -20.6627 -20.6627 -19.0510 -19.0510 -8.9246 -8.9246 -7.7564 -7.7564 -4.9714 -4.9714 -4.9312 -4.9312 -2.8646 -2.8646 -2.8034 -2.8034 -2.5520 -2.5520 -1.4707 -1.4707 -1.1579 -1.1579 -0.6844 -0.6844 -0.3139 -0.3139 0.8427 0.8427 2.4991 2.4991 4.9136 4.9136 5.6668 5.6668 8.1537 8.1537 8.5780 8.5780 k = 0.0000 0.1589 0.1395 ( 6426 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0449 -25.0449 -21.9623 -21.9623 -20.6626 -20.6626 -19.0510 -19.0510 -8.9248 -8.9248 -7.7573 -7.7573 -4.9716 -4.9716 -4.9314 -4.9314 -2.8652 -2.8652 -2.8041 -2.8041 -2.5513 -2.5513 -1.4679 -1.4679 -1.1642 -1.1642 -0.6865 -0.6865 -0.3142 -0.3142 0.8395 0.8395 2.5632 2.5632 4.8934 4.8934 5.6167 5.6167 8.0449 8.0449 8.6355 8.6355 k = 0.0000 0.1682 0.1477 ( 6428 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1046 -41.1046 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0449 -25.0449 -21.9623 -21.9623 -20.6626 -20.6626 -19.0509 -19.0509 -8.9249 -8.9249 -7.7582 -7.7582 -4.9718 -4.9718 -4.9317 -4.9317 -2.8658 -2.8658 -2.8050 -2.8050 -2.5504 -2.5504 -1.4670 -1.4670 -1.1688 -1.1688 -0.6886 -0.6886 -0.3144 -0.3144 0.8368 0.8368 2.6294 2.6294 4.8737 4.8737 5.5649 5.5649 7.9307 7.9307 8.6996 8.6996 k = 0.0000 0.1776 0.1560 ( 6427 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1046 -41.1046 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0448 -25.0448 -21.9624 -21.9624 -20.6626 -20.6626 -19.0509 -19.0509 -8.9251 -8.9251 -7.7591 -7.7591 -4.9719 -4.9719 -4.9321 -4.9321 -2.8663 -2.8663 -2.8058 -2.8058 -2.5492 -2.5492 -1.4681 -1.4681 -1.1716 -1.1716 -0.6907 -0.6907 -0.3145 -0.3145 0.8348 0.8348 2.6977 2.6977 4.8545 4.8545 5.5121 5.5121 7.8136 7.8136 8.7679 8.7679 k = 0.0000 0.1869 0.1642 ( 6428 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1046 -41.1046 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0448 -25.0448 -21.9624 -21.9624 -20.6626 -20.6626 -19.0509 -19.0509 -8.9253 -8.9253 -7.7600 -7.7600 -4.9720 -4.9720 -4.9327 -4.9327 -2.8668 -2.8668 -2.8066 -2.8066 -2.5477 -2.5477 -1.4713 -1.4713 -1.1723 -1.1723 -0.6928 -0.6928 -0.3145 -0.3145 0.8333 0.8333 2.7678 2.7678 4.8360 4.8360 5.4584 5.4584 7.6948 7.6948 8.8387 8.8387 k = 0.0000 0.1963 0.1724 ( 6432 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1046 -41.1046 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0447 -25.0447 -21.9624 -21.9624 -20.6626 -20.6626 -19.0509 -19.0509 -8.9255 -8.9255 -7.7610 -7.7610 -4.9721 -4.9721 -4.9333 -4.9333 -2.8673 -2.8673 -2.8074 -2.8074 -2.5460 -2.5460 -1.4765 -1.4765 -1.1710 -1.1710 -0.6949 -0.6949 -0.3144 -0.3144 0.8324 0.8324 2.8397 2.8397 4.8181 4.8181 5.4044 5.4044 7.5750 7.5750 8.9108 8.9108 k = 0.0000 0.2056 0.1806 ( 6435 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1046 -41.1046 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0447 -25.0447 -21.9625 -21.9625 -20.6625 -20.6625 -19.0509 -19.0509 -8.9256 -8.9256 -7.7619 -7.7619 -4.9720 -4.9720 -4.9340 -4.9340 -2.8677 -2.8677 -2.8083 -2.8083 -2.5441 -2.5441 -1.4837 -1.4837 -1.1679 -1.1679 -0.6970 -0.6970 -0.3142 -0.3142 0.8320 0.8320 2.9131 2.9131 4.8010 4.8010 5.3503 5.3503 7.4549 7.4549 8.9832 8.9832 k = 0.0000 0.2150 0.1888 ( 6435 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1046 -41.1046 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0447 -25.0447 -21.9625 -21.9625 -20.6625 -20.6625 -19.0508 -19.0508 -8.9258 -8.9258 -7.7628 -7.7628 -4.9719 -4.9719 -4.9348 -4.9348 -2.8681 -2.8681 -2.8091 -2.8091 -2.5418 -2.5418 -1.4926 -1.4926 -1.1632 -1.1632 -0.6990 -0.6990 -0.3139 -0.3139 0.8321 0.8321 2.9881 2.9881 4.7848 4.7848 5.2966 5.2966 7.3349 7.3349 9.0545 9.0545 k = 0.0000 0.2243 0.1970 ( 6443 PWs) bands (ev): -74.5310 -74.5310 -74.5028 -74.5028 -42.8609 -42.8609 -42.2016 -42.2016 -41.1046 -41.1046 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0446 -25.0446 -21.9625 -21.9625 -20.6625 -20.6625 -19.0508 -19.0508 -8.9260 -8.9260 -7.7637 -7.7637 -4.9718 -4.9718 -4.9358 -4.9358 -2.8685 -2.8685 -2.8100 -2.8100 -2.5394 -2.5394 -1.5028 -1.5028 -1.1572 -1.1572 -0.7010 -0.7010 -0.3135 -0.3135 0.8327 0.8327 3.0643 3.0643 4.7693 4.7693 5.2435 5.2435 7.2154 7.2154 9.1234 9.1234 k = 0.0000 0.2337 0.2052 ( 6441 PWs) bands (ev): -74.5310 -74.5310 -74.5028 -74.5028 -42.8609 -42.8609 -42.2016 -42.2016 -41.1046 -41.1046 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0446 -25.0446 -21.9626 -21.9626 -20.6625 -20.6625 -19.0508 -19.0508 -8.9262 -8.9262 -7.7645 -7.7645 -4.9716 -4.9716 -4.9368 -4.9368 -2.8688 -2.8688 -2.8108 -2.8108 -2.5368 -2.5368 -1.5140 -1.5140 -1.1501 -1.1501 -0.7030 -0.7030 -0.3130 -0.3130 0.8337 0.8337 3.1416 3.1416 4.7547 4.7547 5.1914 5.1914 7.0968 7.0968 9.1888 9.1888 k = 0.0000 0.2430 0.2134 ( 6441 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1046 -41.1046 -41.0624 -41.0624 -40.8747 -40.8747 -40.8210 -40.8210 -25.0446 -25.0446 -21.9626 -21.9626 -20.6625 -20.6625 -19.0508 -19.0508 -8.9264 -8.9264 -7.7654 -7.7654 -4.9714 -4.9714 -4.9378 -4.9378 -2.8691 -2.8691 -2.8116 -2.8116 -2.5340 -2.5340 -1.5259 -1.5259 -1.1424 -1.1424 -0.7048 -0.7048 -0.3124 -0.3124 0.8351 0.8351 3.2198 3.2198 4.7410 4.7410 5.1405 5.1405 6.9794 6.9794 9.2493 9.2493 k = 0.0000 0.2524 0.2216 ( 6438 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1046 -41.1046 -41.0624 -41.0624 -40.8747 -40.8747 -40.8210 -40.8210 -25.0445 -25.0445 -21.9626 -21.9626 -20.6624 -20.6624 -19.0508 -19.0508 -8.9266 -8.9266 -7.7662 -7.7662 -4.9710 -4.9710 -4.9390 -4.9390 -2.8694 -2.8694 -2.8123 -2.8123 -2.5311 -2.5311 -1.5382 -1.5382 -1.1341 -1.1341 -0.7066 -0.7066 -0.3118 -0.3118 0.8369 0.8369 3.2987 3.2987 4.7282 4.7282 5.0913 5.0913 6.8637 6.8637 9.3041 9.3041 k = 0.0000 0.2617 0.2298 ( 6437 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2016 -42.2016 -41.1046 -41.1046 -41.0624 -41.0624 -40.8747 -40.8747 -40.8210 -40.8210 -25.0445 -25.0445 -21.9627 -21.9627 -20.6624 -20.6624 -19.0507 -19.0507 -8.9267 -8.9267 -7.7670 -7.7670 -4.9706 -4.9706 -4.9402 -4.9402 -2.8696 -2.8696 -2.8131 -2.8131 -2.5281 -2.5281 -1.5507 -1.5507 -1.1257 -1.1257 -0.7083 -0.7083 -0.3111 -0.3111 0.8388 0.8388 3.3781 3.3781 4.7162 4.7162 5.0439 5.0439 6.7500 6.7500 9.3523 9.3523 k = 0.0000 0.2711 0.2380 ( 6436 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1046 -41.1046 -41.0624 -41.0624 -40.8747 -40.8747 -40.8210 -40.8210 -25.0445 -25.0445 -21.9627 -21.9627 -20.6624 -20.6624 -19.0507 -19.0507 -8.9269 -8.9269 -7.7677 -7.7677 -4.9702 -4.9702 -4.9413 -4.9413 -2.8698 -2.8698 -2.8138 -2.8138 -2.5250 -2.5250 -1.5631 -1.5631 -1.1172 -1.1172 -0.7099 -0.7099 -0.3104 -0.3104 0.8410 0.8410 3.4577 3.4577 4.7050 4.7050 4.9986 4.9986 6.6386 6.6386 9.3937 9.3937 k = 0.0000 0.2804 0.2462 ( 6439 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1046 -41.1046 -41.0624 -41.0624 -40.8747 -40.8747 -40.8210 -40.8210 -25.0445 -25.0445 -21.9627 -21.9627 -20.6624 -20.6624 -19.0507 -19.0507 -8.9270 -8.9270 -7.7684 -7.7684 -4.9697 -4.9697 -4.9426 -4.9426 -2.8700 -2.8700 -2.8145 -2.8145 -2.5219 -2.5219 -1.5753 -1.5753 -1.1089 -1.1089 -0.7114 -0.7114 -0.3096 -0.3096 0.8434 0.8434 3.5371 3.5371 4.6945 4.6945 4.9558 4.9558 6.5303 6.5303 9.4284 9.4284 k = 0.0000 0.2898 0.2544 ( 6441 PWs) bands (ev): -74.5310 -74.5310 -74.5028 -74.5028 -42.8610 -42.8610 -42.2015 -42.2015 -41.1046 -41.1046 -41.0624 -41.0624 -40.8747 -40.8747 -40.8210 -40.8210 -25.0444 -25.0444 -21.9627 -21.9627 -20.6624 -20.6624 -19.0507 -19.0507 -8.9272 -8.9272 -7.7691 -7.7691 -4.9691 -4.9691 -4.9439 -4.9439 -2.8701 -2.8701 -2.8151 -2.8151 -2.5189 -2.5189 -1.5870 -1.5870 -1.1009 -1.1009 -0.7128 -0.7128 -0.3088 -0.3088 0.8458 0.8458 3.6158 3.6158 4.6845 4.6845 4.9158 4.9158 6.4253 6.4253 9.4570 9.4570 k = 0.0000 0.2991 0.2627 ( 6445 PWs) bands (ev): -74.5310 -74.5310 -74.5028 -74.5028 -42.8610 -42.8610 -42.2015 -42.2015 -41.1046 -41.1046 -41.0624 -41.0624 -40.8747 -40.8747 -40.8210 -40.8210 -25.0444 -25.0444 -21.9627 -21.9627 -20.6624 -20.6624 -19.0507 -19.0507 -8.9273 -8.9273 -7.7697 -7.7697 -4.9685 -4.9685 -4.9452 -4.9452 -2.8702 -2.8702 -2.8157 -2.8157 -2.5159 -2.5159 -1.5981 -1.5981 -1.0934 -1.0934 -0.7141 -0.7141 -0.3081 -0.3081 0.8481 0.8481 3.6934 3.6934 4.6747 4.6747 4.8789 4.8789 6.3245 6.3245 9.4801 9.4801 k = 0.0000 0.3085 0.2709 ( 6447 PWs) bands (ev): -74.5310 -74.5310 -74.5028 -74.5028 -42.8610 -42.8610 -42.2015 -42.2015 -41.1046 -41.1046 -41.0624 -41.0624 -40.8747 -40.8747 -40.8210 -40.8210 -25.0444 -25.0444 -21.9628 -21.9628 -20.6623 -20.6623 -19.0506 -19.0506 -8.9275 -8.9275 -7.7703 -7.7703 -4.9678 -4.9678 -4.9466 -4.9466 -2.8703 -2.8703 -2.8162 -2.8162 -2.5131 -2.5131 -1.6084 -1.6084 -1.0864 -1.0864 -0.7153 -0.7153 -0.3074 -0.3074 0.8505 0.8505 3.7692 3.7692 4.6648 4.6648 4.8459 4.8459 6.2286 6.2286 9.4984 9.4984 k = 0.0000 0.3178 0.2791 ( 6440 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1046 -41.1046 -41.0624 -41.0624 -40.8747 -40.8747 -40.8210 -40.8210 -25.0444 -25.0444 -21.9628 -21.9628 -20.6623 -20.6623 -19.0506 -19.0506 -8.9276 -8.9276 -7.7707 -7.7707 -4.9670 -4.9670 -4.9479 -4.9479 -2.8704 -2.8704 -2.8167 -2.8167 -2.5104 -2.5104 -1.6178 -1.6178 -1.0800 -1.0800 -0.7163 -0.7163 -0.3067 -0.3067 0.8528 0.8528 3.8425 3.8425 4.6541 4.6541 4.8171 4.8171 6.1385 6.1385 9.5128 9.5128 k = 0.0000 0.3271 0.2873 ( 6437 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1046 -41.1046 -41.0624 -41.0624 -40.8747 -40.8747 -40.8210 -40.8210 -25.0444 -25.0444 -21.9628 -21.9628 -20.6623 -20.6623 -19.0506 -19.0506 -8.9277 -8.9277 -7.7712 -7.7712 -4.9663 -4.9663 -4.9492 -4.9492 -2.8704 -2.8704 -2.8171 -2.8171 -2.5080 -2.5080 -1.6261 -1.6261 -1.0743 -1.0743 -0.7172 -0.7172 -0.3060 -0.3060 0.8549 0.8549 3.9121 3.9121 4.6422 4.6422 4.7934 4.7934 6.0555 6.0555 9.5240 9.5240 k = 0.0000 0.3365 0.2955 ( 6432 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1046 -41.1046 -41.0624 -41.0624 -40.8747 -40.8747 -40.8210 -40.8210 -25.0443 -25.0443 -21.9628 -21.9628 -20.6623 -20.6623 -19.0506 -19.0506 -8.9278 -8.9278 -7.7716 -7.7716 -4.9654 -4.9654 -4.9504 -4.9504 -2.8705 -2.8705 -2.8175 -2.8175 -2.5058 -2.5058 -1.6333 -1.6333 -1.0694 -1.0694 -0.7180 -0.7180 -0.3054 -0.3054 0.8567 0.8567 3.9769 3.9769 4.6285 4.6285 4.7750 4.7750 5.9808 5.9808 9.5326 9.5326 k = 0.0000 0.3458 0.3037 ( 6425 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1046 -41.1046 -41.0624 -41.0624 -40.8747 -40.8747 -40.8210 -40.8210 -25.0443 -25.0443 -21.9628 -21.9628 -20.6623 -20.6623 -19.0506 -19.0506 -8.9278 -8.9278 -7.7719 -7.7719 -4.9646 -4.9646 -4.9515 -4.9515 -2.8705 -2.8705 -2.8178 -2.8178 -2.5040 -2.5040 -1.6394 -1.6394 -1.0654 -1.0654 -0.7187 -0.7187 -0.3049 -0.3049 0.8583 0.8583 4.0353 4.0353 4.6136 4.6136 4.7619 4.7619 5.9161 5.9161 9.5389 9.5389 k = 0.0000 0.3552 0.3119 ( 6429 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1046 -41.1046 -41.0624 -41.0624 -40.8747 -40.8747 -40.8210 -40.8210 -25.0443 -25.0443 -21.9628 -21.9628 -20.6623 -20.6623 -19.0506 -19.0506 -8.9279 -8.9279 -7.7721 -7.7721 -4.9639 -4.9639 -4.9526 -4.9526 -2.8705 -2.8705 -2.8180 -2.8180 -2.5026 -2.5026 -1.6442 -1.6442 -1.0622 -1.0622 -0.7192 -0.7192 -0.3046 -0.3046 0.8596 0.8596 4.0851 4.0851 4.5984 4.5984 4.7533 4.7533 5.8631 5.8631 9.5435 9.5435 k = 0.0000 0.3645 0.3201 ( 6429 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1046 -41.1046 -41.0624 -41.0624 -40.8747 -40.8747 -40.8210 -40.8210 -25.0443 -25.0443 -21.9628 -21.9628 -20.6623 -20.6623 -19.0506 -19.0506 -8.9279 -8.9279 -7.7723 -7.7723 -4.9632 -4.9632 -4.9535 -4.9535 -2.8705 -2.8705 -2.8182 -2.8182 -2.5015 -2.5015 -1.6477 -1.6477 -1.0599 -1.0599 -0.7195 -0.7195 -0.3043 -0.3043 0.8605 0.8605 4.1239 4.1239 4.5848 4.5848 4.7482 4.7482 5.8236 5.8236 9.5465 9.5465 k = 0.0000 0.3739 0.3283 ( 6431 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1046 -41.1046 -41.0624 -41.0624 -40.8747 -40.8747 -40.8210 -40.8210 -25.0443 -25.0443 -21.9628 -21.9628 -20.6623 -20.6623 -19.0506 -19.0506 -8.9279 -8.9279 -7.7724 -7.7724 -4.9628 -4.9628 -4.9541 -4.9541 -2.8705 -2.8705 -2.8183 -2.8183 -2.5009 -2.5009 -1.6498 -1.6498 -1.0585 -1.0585 -0.7198 -0.7198 -0.3041 -0.3041 0.8611 0.8611 4.1488 4.1488 4.5753 4.5753 4.7457 4.7457 5.7992 5.7992 9.5483 9.5483 k = 0.0000 0.3832 0.3365 ( 6428 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1046 -41.1046 -41.0624 -41.0624 -40.8747 -40.8747 -40.8210 -40.8210 -25.0443 -25.0443 -21.9628 -21.9628 -20.6623 -20.6623 -19.0506 -19.0506 -8.9280 -8.9280 -7.7724 -7.7724 -4.9626 -4.9626 -4.9543 -4.9543 -2.8705 -2.8705 -2.8183 -2.8183 -2.5006 -2.5006 -1.6505 -1.6505 -1.0580 -1.0580 -0.7198 -0.7198 -0.3040 -0.3040 0.8613 0.8613 4.1575 4.1575 4.5718 4.5718 4.7449 4.7449 5.7909 5.7909 9.5488 9.5488 k = 0.5000 0.3832 0.3365 ( 6440 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8614 -42.8614 -42.2020 -42.2020 -41.1057 -41.1057 -41.0628 -41.0628 -40.8806 -40.8806 -40.8230 -40.8230 -24.7201 -24.7201 -22.7675 -22.7675 -20.1031 -20.1031 -19.0421 -19.0421 -8.5938 -8.5938 -7.6220 -7.6220 -6.0917 -6.0917 -3.7169 -3.7169 -3.4875 -3.4875 -3.3198 -3.3198 -2.1694 -2.1694 -1.9338 -1.9338 -1.1690 -1.1690 -0.6777 -0.6777 -0.5611 -0.5611 1.1384 1.1384 5.1305 5.1305 5.3113 5.3113 5.7824 5.7824 6.6980 6.6980 7.6849 7.6849 k = 0.4912 0.3765 0.3306 ( 6437 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8614 -42.8614 -42.2020 -42.2020 -41.1057 -41.1057 -41.0628 -41.0628 -40.8806 -40.8806 -40.8230 -40.8230 -24.7204 -24.7204 -22.7669 -22.7669 -20.1034 -20.1034 -19.0421 -19.0421 -8.5940 -8.5940 -7.6221 -7.6221 -6.0915 -6.0915 -3.7164 -3.7164 -3.4867 -3.4867 -3.3207 -3.3207 -2.1697 -2.1697 -1.9332 -1.9332 -1.1689 -1.1689 -0.6777 -0.6777 -0.5608 -0.5608 1.1378 1.1378 5.1214 5.1214 5.3173 5.3173 5.7801 5.7801 6.7016 6.7016 7.6859 7.6859 k = 0.4825 0.3698 0.3247 ( 6435 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8614 -42.8614 -42.2020 -42.2020 -41.1057 -41.1057 -41.0628 -41.0628 -40.8806 -40.8806 -40.8230 -40.8230 -24.7213 -24.7213 -22.7652 -22.7652 -20.1044 -20.1044 -19.0421 -19.0421 -8.5946 -8.5946 -7.6225 -7.6225 -6.0908 -6.0908 -3.7150 -3.7150 -3.4845 -3.4845 -3.3231 -3.3231 -2.1705 -2.1705 -1.9317 -1.9317 -1.1686 -1.1686 -0.6777 -0.6777 -0.5602 -0.5602 1.1359 1.1359 5.0969 5.0969 5.3325 5.3325 5.7732 5.7732 6.7122 6.7122 7.6891 7.6891 k = 0.4737 0.3631 0.3188 ( 6438 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8614 -42.8614 -42.2020 -42.2020 -41.1057 -41.1057 -41.0628 -41.0628 -40.8806 -40.8806 -40.8230 -40.8230 -24.7229 -24.7229 -22.7624 -22.7624 -20.1060 -20.1060 -19.0421 -19.0421 -8.5958 -8.5958 -7.6231 -7.6231 -6.0897 -6.0897 -3.7127 -3.7127 -3.4807 -3.4807 -3.3272 -3.3272 -2.1720 -2.1720 -1.9291 -1.9291 -1.1681 -1.1681 -0.6776 -0.6776 -0.5592 -0.5592 1.1329 1.1329 5.0619 5.0619 5.3523 5.3523 5.7622 5.7622 6.7294 6.7294 7.6944 7.6944 k = 0.4649 0.3563 0.3129 ( 6431 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8614 -42.8614 -42.2020 -42.2020 -41.1057 -41.1057 -41.0628 -41.0628 -40.8806 -40.8806 -40.8230 -40.8230 -24.7250 -24.7250 -22.7584 -22.7584 -20.1083 -20.1083 -19.0422 -19.0422 -8.5973 -8.5973 -7.6239 -7.6239 -6.0881 -6.0881 -3.7095 -3.7095 -3.4756 -3.4756 -3.3327 -3.3327 -2.1740 -2.1740 -1.9255 -1.9255 -1.1675 -1.1675 -0.6775 -0.6775 -0.5578 -0.5578 1.1288 1.1288 5.0195 5.0195 5.3732 5.3732 5.7477 5.7477 6.7527 6.7527 7.7022 7.7022 k = 0.4561 0.3496 0.3070 ( 6432 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8614 -42.8614 -42.2020 -42.2020 -41.1056 -41.1056 -41.0628 -41.0628 -40.8805 -40.8805 -40.8230 -40.8230 -24.7278 -24.7278 -22.7533 -22.7533 -20.1111 -20.1111 -19.0423 -19.0423 -8.5993 -8.5993 -7.6249 -7.6249 -6.0861 -6.0861 -3.7053 -3.7053 -3.4694 -3.4694 -3.3396 -3.3396 -2.1765 -2.1765 -1.9210 -1.9210 -1.1668 -1.1668 -0.6773 -0.6773 -0.5559 -0.5559 1.1237 1.1237 4.9716 4.9716 5.3935 5.3935 5.7304 5.7304 6.7814 6.7814 7.7124 7.7124 k = 0.4474 0.3429 0.3011 ( 6436 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8614 -42.8614 -42.2020 -42.2020 -41.1056 -41.1056 -41.0628 -41.0628 -40.8805 -40.8805 -40.8230 -40.8230 -24.7311 -24.7311 -22.7472 -22.7472 -20.1147 -20.1147 -19.0423 -19.0423 -8.6017 -8.6017 -7.6262 -7.6262 -6.0835 -6.0835 -3.7003 -3.7003 -3.4623 -3.4623 -3.3475 -3.3475 -2.1797 -2.1797 -1.9156 -1.9156 -1.1660 -1.1660 -0.6771 -0.6771 -0.5537 -0.5537 1.1176 1.1176 4.9191 4.9191 5.4123 5.4123 5.7113 5.7113 6.8148 6.8148 7.7254 7.7254 k = 0.4386 0.3362 0.2952 ( 6437 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8614 -42.8614 -42.2020 -42.2020 -41.1056 -41.1056 -41.0628 -41.0628 -40.8804 -40.8804 -40.8229 -40.8229 -24.7349 -24.7349 -22.7399 -22.7399 -20.1188 -20.1188 -19.0424 -19.0424 -8.6046 -8.6046 -7.6277 -7.6277 -6.0804 -6.0804 -3.6944 -3.6944 -3.4548 -3.4548 -3.3556 -3.3556 -2.1834 -2.1834 -1.9093 -1.9093 -1.1652 -1.1652 -0.6769 -0.6769 -0.5512 -0.5512 1.1108 1.1108 4.8627 4.8627 5.4286 5.4286 5.6915 5.6915 6.8522 6.8522 7.7414 7.7414 k = 0.4298 0.3294 0.2893 ( 6436 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2020 -42.2020 -41.1056 -41.1056 -41.0627 -41.0627 -40.8803 -40.8803 -40.8229 -40.8229 -24.7393 -24.7393 -22.7316 -22.7316 -20.1236 -20.1236 -19.0425 -19.0425 -8.6079 -8.6079 -7.6294 -7.6294 -6.0767 -6.0767 -3.6876 -3.6876 -3.4483 -3.4483 -3.3630 -3.3630 -2.1877 -2.1877 -1.9022 -1.9022 -1.1644 -1.1644 -0.6767 -0.6767 -0.5482 -0.5482 1.1034 1.1034 4.8027 4.8027 5.4416 5.4416 5.6721 5.6721 6.8930 6.8930 7.7606 7.7606 k = 0.4211 0.3227 0.2834 ( 6439 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2020 -42.2020 -41.1056 -41.1056 -41.0628 -41.0628 -40.8803 -40.8803 -40.8229 -40.8229 -24.7442 -24.7442 -22.7223 -22.7223 -20.1290 -20.1290 -19.0426 -19.0426 -8.6116 -8.6116 -7.6313 -7.6313 -6.0725 -6.0725 -3.6800 -3.6800 -3.4447 -3.4447 -3.3673 -3.3673 -2.1925 -2.1925 -1.8944 -1.8944 -1.1638 -1.1638 -0.6764 -0.6764 -0.5450 -0.5450 1.0954 1.0954 4.7397 4.7397 5.4504 5.4504 5.6545 5.6545 6.9365 6.9365 7.7833 7.7833 k = 0.4123 0.3160 0.2775 ( 6438 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2020 -42.2020 -41.1056 -41.1056 -41.0627 -41.0627 -40.8802 -40.8802 -40.8229 -40.8229 -24.7496 -24.7496 -22.7121 -22.7121 -20.1350 -20.1350 -19.0428 -19.0428 -8.6158 -8.6158 -7.6334 -7.6334 -6.0675 -6.0675 -3.6716 -3.6716 -3.4467 -3.4467 -3.3660 -3.3660 -2.1978 -2.1978 -1.8860 -1.8860 -1.1633 -1.1633 -0.6761 -0.6761 -0.5414 -0.5414 1.0871 1.0871 4.6740 4.6740 5.4536 5.4536 5.6402 5.6402 6.9825 6.9825 7.8097 7.8097 k = 0.4035 0.3093 0.2716 ( 6440 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1056 -41.1056 -41.0627 -41.0627 -40.8801 -40.8801 -40.8228 -40.8228 -24.7555 -24.7555 -22.7008 -22.7008 -20.1417 -20.1417 -19.0429 -19.0429 -8.6204 -8.6204 -7.6357 -7.6357 -6.0620 -6.0620 -3.6625 -3.6625 -3.4550 -3.4550 -3.3583 -3.3583 -2.2037 -2.2037 -1.8770 -1.8770 -1.1629 -1.1629 -0.6759 -0.6759 -0.5375 -0.5375 1.0786 1.0786 4.6060 4.6060 5.4504 5.4504 5.6305 5.6305 7.0303 7.0303 7.8298 7.8298 k = 0.3947 0.3026 0.2657 ( 6440 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1056 -41.1056 -41.0627 -41.0627 -40.8800 -40.8800 -40.8228 -40.8228 -24.7617 -24.7617 -22.6887 -22.6887 -20.1489 -20.1489 -19.0431 -19.0431 -8.6254 -8.6254 -7.6381 -7.6381 -6.0557 -6.0557 -3.6527 -3.6527 -3.4683 -3.4683 -3.3455 -3.3455 -2.2101 -2.2101 -1.8674 -1.8674 -1.1629 -1.1629 -0.6756 -0.6756 -0.5333 -0.5333 1.0699 1.0699 4.5360 4.5360 5.4406 5.4406 5.6257 5.6257 7.0797 7.0797 7.8245 7.8245 k = 0.3860 0.2958 0.2598 ( 6437 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1055 -41.1055 -41.0627 -41.0627 -40.8799 -40.8799 -40.8228 -40.8228 -24.7684 -24.7684 -22.6756 -22.6756 -20.1566 -20.1566 -19.0432 -19.0432 -8.6308 -8.6308 -7.6407 -7.6407 -6.0487 -6.0487 -3.6424 -3.6424 -3.4848 -3.4848 -3.3293 -3.3293 -2.2170 -2.2170 -1.8574 -1.8574 -1.1630 -1.1630 -0.6753 -0.6753 -0.5289 -0.5289 1.0613 1.0613 4.4645 4.4645 5.4253 5.4253 5.6251 5.6251 7.1304 7.1304 7.8228 7.8228 k = 0.3772 0.2891 0.2539 ( 6436 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1055 -41.1055 -41.0627 -41.0627 -40.8798 -40.8798 -40.8227 -40.8227 -24.7755 -24.7755 -22.6617 -22.6617 -20.1650 -20.1650 -19.0434 -19.0434 -8.6365 -8.6365 -7.6434 -7.6434 -6.0409 -6.0409 -3.6317 -3.6317 -3.5034 -3.5034 -3.3106 -3.3106 -2.2244 -2.2244 -1.8471 -1.8471 -1.1635 -1.1635 -0.6750 -0.6750 -0.5242 -0.5242 1.0526 1.0526 4.3917 4.3917 5.4059 5.4059 5.6272 5.6272 7.1822 7.1822 7.8251 7.8251 k = 0.3684 0.2824 0.2480 ( 6434 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2019 -42.2019 -41.1055 -41.1055 -41.0627 -41.0627 -40.8797 -40.8797 -40.8227 -40.8227 -24.7829 -24.7829 -22.6471 -22.6471 -20.1739 -20.1739 -19.0436 -19.0436 -8.6427 -8.6427 -7.6463 -7.6463 -6.0323 -6.0323 -3.6211 -3.6211 -3.5230 -3.5230 -3.2901 -3.2901 -2.2323 -2.2323 -1.8365 -1.8365 -1.1642 -1.1642 -0.6746 -0.6746 -0.5194 -0.5194 1.0441 1.0441 4.3181 4.3181 5.3841 5.3841 5.6309 5.6309 7.2348 7.2348 7.8312 7.8312 k = 0.3596 0.2757 0.2421 ( 6428 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8613 -42.8613 -42.2018 -42.2018 -41.1055 -41.1055 -41.0627 -41.0627 -40.8795 -40.8795 -40.8226 -40.8226 -24.7905 -24.7905 -22.6316 -22.6316 -20.1833 -20.1833 -19.0438 -19.0438 -8.6492 -8.6492 -7.6493 -7.6493 -6.0229 -6.0229 -3.6119 -3.6119 -3.5420 -3.5420 -3.2681 -3.2681 -2.2407 -2.2407 -1.8257 -1.8257 -1.1652 -1.1652 -0.6743 -0.6743 -0.5143 -0.5143 1.0356 1.0356 4.2440 4.2440 5.3608 5.3608 5.6353 5.6353 7.2881 7.2881 7.8411 7.8411 k = 0.3509 0.2689 0.2362 ( 6420 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1054 -41.1054 -41.0627 -41.0627 -40.8794 -40.8794 -40.8226 -40.8226 -24.7985 -24.7985 -22.6154 -22.6154 -20.1933 -20.1933 -19.0440 -19.0440 -8.6561 -8.6561 -7.6524 -7.6524 -6.0127 -6.0127 -3.6083 -3.6083 -3.5560 -3.5560 -3.2449 -3.2449 -2.2495 -2.2495 -1.8147 -1.8147 -1.1663 -1.1663 -0.6740 -0.6740 -0.5091 -0.5091 1.0272 1.0272 4.1696 4.1696 5.3369 5.3369 5.6397 5.6397 7.3420 7.3420 7.8549 7.8549 k = 0.3421 0.2622 0.2303 ( 6424 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1054 -41.1054 -41.0627 -41.0627 -40.8793 -40.8793 -40.8225 -40.8225 -24.8067 -24.8067 -22.5986 -22.5986 -20.2038 -20.2038 -19.0442 -19.0442 -8.6634 -8.6634 -7.6556 -7.6556 -6.0016 -6.0016 -3.6176 -3.6176 -3.5576 -3.5576 -3.2206 -3.2206 -2.2588 -2.2588 -1.8037 -1.8037 -1.1676 -1.1676 -0.6736 -0.6736 -0.5038 -0.5038 1.0189 1.0189 4.0952 4.0952 5.3129 5.3129 5.6440 5.6440 7.3962 7.3962 7.8725 7.8725 k = 0.3333 0.2555 0.2244 ( 6427 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1054 -41.1054 -41.0627 -41.0627 -40.8791 -40.8791 -40.8225 -40.8225 -24.8151 -24.8151 -22.5811 -22.5811 -20.2147 -20.2147 -19.0444 -19.0444 -8.6709 -8.6709 -7.6589 -7.6589 -5.9895 -5.9895 -3.6378 -3.6378 -3.5488 -3.5488 -3.1955 -3.1955 -2.2685 -2.2685 -1.7927 -1.7927 -1.1689 -1.1689 -0.6733 -0.6733 -0.4983 -0.4983 1.0105 1.0105 4.0211 4.0211 5.2892 5.2892 5.6480 5.6480 7.4508 7.4508 7.8941 7.8941 k = 0.3246 0.2488 0.2184 ( 6425 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1053 -41.1053 -41.0627 -41.0627 -40.8790 -40.8790 -40.8224 -40.8224 -24.8237 -24.8237 -22.5630 -22.5630 -20.2262 -20.2262 -19.0446 -19.0446 -8.6787 -8.6787 -7.6622 -7.6622 -5.9766 -5.9766 -3.6625 -3.6625 -3.5359 -3.5359 -3.1695 -3.1695 -2.2786 -2.2786 -1.7817 -1.7817 -1.1702 -1.1702 -0.6730 -0.6730 -0.4927 -0.4927 1.0020 1.0020 3.9474 3.9474 5.2661 5.2661 5.6517 5.6517 7.5054 7.5054 7.9196 7.9196 k = 0.3158 0.2420 0.2125 ( 6422 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1053 -41.1053 -41.0627 -41.0627 -40.8788 -40.8788 -40.8224 -40.8224 -24.8324 -24.8324 -22.5444 -22.5444 -20.2381 -20.2381 -19.0448 -19.0448 -8.6868 -8.6868 -7.6656 -7.6656 -5.9628 -5.9628 -3.6894 -3.6894 -3.5210 -3.5210 -3.1430 -3.1430 -2.2891 -2.2891 -1.7708 -1.7708 -1.1714 -1.1714 -0.6727 -0.6727 -0.4870 -0.4870 0.9932 0.9932 3.8744 3.8744 5.2439 5.2439 5.6551 5.6551 7.5600 7.5600 7.9491 7.9491 k = 0.3070 0.2353 0.2066 ( 6417 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1053 -41.1053 -41.0627 -41.0627 -40.8787 -40.8787 -40.8223 -40.8223 -24.8412 -24.8412 -22.5253 -22.5253 -20.2504 -20.2504 -19.0451 -19.0451 -8.6951 -8.6951 -7.6691 -7.6691 -5.9480 -5.9480 -3.7176 -3.7176 -3.5051 -3.5051 -3.1161 -3.1161 -2.3000 -2.3000 -1.7601 -1.7601 -1.1723 -1.1723 -0.6724 -0.6724 -0.4812 -0.4812 0.9842 0.9842 3.8022 3.8022 5.2228 5.2228 5.6584 5.6584 7.6145 7.6145 7.9825 7.9825 k = 0.2982 0.2286 0.2007 ( 6419 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1052 -41.1052 -41.0627 -41.0627 -40.8785 -40.8785 -40.8223 -40.8223 -24.8501 -24.8501 -22.5058 -22.5058 -20.2631 -20.2631 -19.0453 -19.0453 -8.7037 -8.7037 -7.6726 -7.6726 -5.9322 -5.9322 -3.7468 -3.7468 -3.4885 -3.4885 -3.0888 -3.0888 -2.3113 -2.3113 -1.7495 -1.7495 -1.1728 -1.1728 -0.6721 -0.6721 -0.4753 -0.4753 0.9747 0.9747 3.7309 3.7309 5.2029 5.2029 5.6616 5.6616 7.6686 7.6686 8.0200 8.0200 k = 0.2895 0.2219 0.1948 ( 6428 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1052 -41.1052 -41.0627 -41.0627 -40.8784 -40.8784 -40.8222 -40.8222 -24.8591 -24.8591 -22.4858 -22.4858 -20.2763 -20.2763 -19.0456 -19.0456 -8.7125 -8.7125 -7.6761 -7.6761 -5.9155 -5.9155 -3.7769 -3.7769 -3.4713 -3.4713 -3.0613 -3.0613 -2.3229 -2.3229 -1.7393 -1.7393 -1.1729 -1.1729 -0.6718 -0.6718 -0.4694 -0.4694 0.9646 0.9646 3.6606 3.6606 5.1843 5.1843 5.6650 5.6650 7.7223 7.7223 8.0614 8.0614 k = 0.2807 0.2151 0.1889 ( 6428 PWs) bands (ev): -74.5309 -74.5309 -74.5027 -74.5027 -42.8612 -42.8612 -42.2018 -42.2018 -41.1052 -41.1052 -41.0627 -41.0627 -40.8782 -40.8782 -40.8222 -40.8222 -24.8681 -24.8681 -22.4655 -22.4655 -20.2898 -20.2898 -19.0458 -19.0458 -8.7215 -8.7215 -7.6797 -7.6797 -5.8979 -5.8979 -3.8077 -3.8077 -3.4535 -3.4535 -3.0338 -3.0338 -2.3348 -2.3348 -1.7292 -1.7292 -1.1723 -1.1723 -0.6715 -0.6715 -0.4633 -0.4633 0.9539 0.9539 3.5913 3.5913 5.1673 5.1673 5.6686 5.6686 7.7756 7.7756 8.1065 8.1065 k = 0.2719 0.2084 0.1830 ( 6428 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8612 -42.8612 -42.2017 -42.2017 -41.1052 -41.1052 -41.0627 -41.0627 -40.8781 -40.8781 -40.8221 -40.8221 -24.8770 -24.8770 -22.4448 -22.4448 -20.3036 -20.3036 -19.0461 -19.0461 -8.7305 -8.7305 -7.6832 -7.6832 -5.8793 -5.8793 -3.8392 -3.8392 -3.4353 -3.4353 -3.0064 -3.0064 -2.3470 -2.3470 -1.7194 -1.7194 -1.1710 -1.1710 -0.6712 -0.6712 -0.4572 -0.4572 0.9426 0.9426 3.5230 3.5230 5.1519 5.1519 5.6728 5.6728 7.8286 7.8286 8.1552 8.1552 k = 0.2632 0.2017 0.1771 ( 6424 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1051 -41.1051 -41.0626 -41.0626 -40.8779 -40.8779 -40.8221 -40.8221 -24.8860 -24.8860 -22.4240 -22.4240 -20.3177 -20.3177 -19.0463 -19.0463 -8.7397 -8.7397 -7.6867 -7.6867 -5.8598 -5.8598 -3.8712 -3.8712 -3.4167 -3.4167 -2.9791 -2.9791 -2.3595 -2.3595 -1.7099 -1.7099 -1.1689 -1.1689 -0.6709 -0.6709 -0.4509 -0.4509 0.9305 0.9305 3.4558 3.4558 5.1381 5.1381 5.6775 5.6775 7.8813 7.8813 8.2070 8.2070 k = 0.2544 0.1950 0.1712 ( 6419 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1051 -41.1051 -41.0626 -41.0626 -40.8777 -40.8777 -40.8220 -40.8220 -24.8948 -24.8948 -22.4028 -22.4028 -20.3321 -20.3321 -19.0465 -19.0465 -8.7488 -8.7488 -7.6902 -7.6902 -5.8393 -5.8393 -3.9038 -3.9038 -3.3978 -3.3978 -2.9523 -2.9523 -2.3723 -2.3723 -1.7007 -1.7007 -1.1660 -1.1660 -0.6707 -0.6707 -0.4446 -0.4446 0.9178 0.9178 3.3895 3.3895 5.1261 5.1261 5.6830 5.6830 7.9339 7.9339 8.2614 8.2614 k = 0.2456 0.1883 0.1653 ( 6419 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1051 -41.1051 -41.0626 -41.0626 -40.8776 -40.8776 -40.8219 -40.8219 -24.9036 -24.9036 -22.3816 -22.3816 -20.3468 -20.3468 -19.0468 -19.0468 -8.7581 -8.7581 -7.6936 -7.6936 -5.8180 -5.8180 -3.9369 -3.9369 -3.3786 -3.3786 -2.9259 -2.9259 -2.3853 -2.3853 -1.6919 -1.6919 -1.1623 -1.1623 -0.6704 -0.6704 -0.4383 -0.4383 0.9044 0.9044 3.3242 3.3242 5.1158 5.1158 5.6894 5.6894 7.9865 7.9865 8.3181 8.3181 k = 0.2368 0.1815 0.1594 ( 6424 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1050 -41.1050 -41.0626 -41.0626 -40.8774 -40.8774 -40.8219 -40.8219 -24.9123 -24.9123 -22.3602 -22.3602 -20.3617 -20.3617 -19.0470 -19.0470 -8.7674 -8.7674 -7.6971 -7.6971 -5.7958 -5.7958 -3.9704 -3.9704 -3.3592 -3.3592 -2.9001 -2.9001 -2.3986 -2.3986 -1.6833 -1.6833 -1.1576 -1.1576 -0.6701 -0.6701 -0.4318 -0.4318 0.8904 0.8904 3.2597 3.2597 5.1072 5.1072 5.6969 5.6969 8.0392 8.0392 8.3765 8.3765 k = 0.2281 0.1748 0.1535 ( 6429 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1050 -41.1050 -41.0626 -41.0626 -40.8772 -40.8772 -40.8218 -40.8218 -24.9209 -24.9209 -22.3387 -22.3387 -20.3768 -20.3768 -19.0473 -19.0473 -8.7766 -8.7766 -7.7004 -7.7004 -5.7727 -5.7727 -4.0043 -4.0043 -3.3395 -3.3395 -2.8750 -2.8750 -2.4121 -2.4121 -1.6749 -1.6749 -1.1521 -1.1521 -0.6699 -0.6699 -0.4253 -0.4253 0.8759 0.8759 3.1959 3.1959 5.1004 5.1004 5.7055 5.7055 8.0921 8.0921 8.4359 8.4359 k = 0.2193 0.1681 0.1476 ( 6427 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1050 -41.1050 -41.0626 -41.0626 -40.8771 -40.8771 -40.8218 -40.8218 -24.9293 -24.9293 -22.3173 -22.3173 -20.3920 -20.3920 -19.0475 -19.0475 -8.7858 -8.7858 -7.7037 -7.7037 -5.7487 -5.7487 -4.0386 -4.0386 -3.3196 -3.3196 -2.8506 -2.8506 -2.4258 -2.4258 -1.6667 -1.6667 -1.1457 -1.1457 -0.6697 -0.6697 -0.4188 -0.4188 0.8612 0.8612 3.1328 3.1328 5.0952 5.0952 5.7153 5.7153 8.1451 8.1451 8.4957 8.4957 k = 0.2105 0.1614 0.1417 ( 6431 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1049 -41.1049 -41.0626 -41.0626 -40.8769 -40.8769 -40.8217 -40.8217 -24.9375 -24.9375 -22.2958 -22.2958 -20.4073 -20.4073 -19.0478 -19.0478 -8.7950 -8.7950 -7.7069 -7.7069 -5.7239 -5.7239 -4.0732 -4.0732 -3.2996 -3.2996 -2.8271 -2.8271 -2.4397 -2.4397 -1.6588 -1.6588 -1.1387 -1.1387 -0.6694 -0.6694 -0.4122 -0.4122 0.8465 0.8465 3.0703 3.0703 5.0915 5.0915 5.7264 5.7264 8.1979 8.1979 8.5550 8.5550 k = 0.2018 0.1546 0.1358 ( 6433 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1049 -41.1049 -41.0626 -41.0626 -40.8768 -40.8768 -40.8217 -40.8217 -24.9456 -24.9456 -22.2745 -22.2745 -20.4227 -20.4227 -19.0480 -19.0480 -8.8040 -8.8040 -7.7101 -7.7101 -5.6983 -5.6983 -4.1081 -4.1081 -3.2795 -3.2795 -2.8046 -2.8046 -2.4538 -2.4538 -1.6511 -1.6511 -1.1310 -1.1310 -0.6692 -0.6692 -0.4055 -0.4055 0.8320 0.8320 3.0083 3.0083 5.0893 5.0893 5.7388 5.7388 8.2499 8.2499 8.6126 8.6126 k = 0.1930 0.1479 0.1299 ( 6437 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1049 -41.1049 -41.0626 -41.0626 -40.8766 -40.8766 -40.8216 -40.8216 -24.9534 -24.9534 -22.2534 -22.2534 -20.4381 -20.4381 -19.0483 -19.0483 -8.8129 -8.8129 -7.7131 -7.7131 -5.6719 -5.6719 -4.1433 -4.1433 -3.2593 -3.2593 -2.7830 -2.7830 -2.4681 -2.4681 -1.6436 -1.6436 -1.1229 -1.1229 -0.6689 -0.6689 -0.3989 -0.3989 0.8180 0.8180 2.9466 2.9466 5.0884 5.0884 5.7524 5.7524 8.2998 8.2998 8.6656 8.6656 k = 0.1842 0.1412 0.1240 ( 6434 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2017 -42.2017 -41.1049 -41.1049 -41.0626 -41.0626 -40.8765 -40.8765 -40.8216 -40.8216 -24.9610 -24.9610 -22.2324 -22.2324 -20.4534 -20.4534 -19.0485 -19.0485 -8.8215 -8.8215 -7.7161 -7.7161 -5.6448 -5.6448 -4.1788 -4.1788 -3.2390 -3.2390 -2.7624 -2.7624 -2.4826 -2.4826 -1.6362 -1.6362 -1.1144 -1.1144 -0.6687 -0.6687 -0.3922 -0.3922 0.8048 0.8048 2.8853 2.8853 5.0887 5.0887 5.7673 5.7673 8.3455 8.3455 8.7059 8.7059 k = 0.1754 0.1345 0.1181 ( 6435 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8611 -42.8611 -42.2016 -42.2016 -41.1048 -41.1048 -41.0626 -41.0626 -40.8763 -40.8763 -40.8215 -40.8215 -24.9683 -24.9683 -22.2117 -22.2117 -20.4687 -20.4687 -19.0487 -19.0487 -8.8300 -8.8300 -7.7190 -7.7190 -5.6169 -5.6169 -4.2145 -4.2145 -3.2187 -3.2187 -2.7428 -2.7428 -2.4972 -2.4972 -1.6291 -1.6291 -1.1058 -1.1058 -0.6685 -0.6685 -0.3855 -0.3855 0.7928 0.7928 2.8244 2.8244 5.0900 5.0900 5.7832 5.7832 8.3831 8.3831 8.7205 8.7205 k = 0.1667 0.1277 0.1122 ( 6435 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1048 -41.1048 -41.0626 -41.0626 -40.8762 -40.8762 -40.8215 -40.8215 -24.9754 -24.9754 -22.1914 -22.1914 -20.4839 -20.4839 -19.0489 -19.0489 -8.8383 -8.8383 -7.7217 -7.7217 -5.5883 -5.5883 -4.2504 -4.2504 -3.1984 -3.1984 -2.7243 -2.7243 -2.5119 -2.5119 -1.6221 -1.6221 -1.0973 -1.0973 -0.6682 -0.6682 -0.3788 -0.3788 0.7822 0.7822 2.7637 2.7637 5.0922 5.0922 5.8003 5.8003 8.4074 8.4074 8.7244 8.7244 k = 0.1579 0.1210 0.1063 ( 6431 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1048 -41.1048 -41.0626 -41.0626 -40.8760 -40.8760 -40.8214 -40.8214 -24.9822 -24.9822 -22.1714 -22.1714 -20.4989 -20.4989 -19.0491 -19.0491 -8.8463 -8.8463 -7.7243 -7.7243 -5.5590 -5.5590 -4.2864 -4.2864 -3.1781 -3.1781 -2.7067 -2.7067 -2.5268 -2.5268 -1.6153 -1.6153 -1.0890 -1.0890 -0.6679 -0.6679 -0.3722 -0.3722 0.7734 0.7734 2.7033 2.7033 5.0952 5.0952 5.8181 5.8181 8.4140 8.4140 8.7386 8.7386 k = 0.1491 0.1143 0.1004 ( 6431 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1047 -41.1047 -41.0626 -41.0626 -40.8759 -40.8759 -40.8214 -40.8214 -24.9887 -24.9887 -22.1519 -22.1519 -20.5136 -20.5136 -19.0493 -19.0493 -8.8540 -8.8540 -7.7269 -7.7269 -5.5291 -5.5291 -4.3227 -4.3227 -3.1579 -3.1579 -2.6902 -2.6902 -2.5418 -2.5418 -1.6088 -1.6088 -1.0811 -1.0811 -0.6676 -0.6676 -0.3658 -0.3658 0.7667 0.7667 2.6432 2.6432 5.0987 5.0987 5.8367 5.8367 8.4037 8.4037 8.7675 8.7675 k = 0.1404 0.1076 0.0945 ( 6430 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1047 -41.1047 -41.0626 -41.0626 -40.8758 -40.8758 -40.8213 -40.8213 -24.9949 -24.9949 -22.1330 -22.1330 -20.5281 -20.5281 -19.0495 -19.0495 -8.8614 -8.8614 -7.7293 -7.7293 -5.4986 -5.4986 -4.3591 -4.3591 -3.1377 -3.1377 -2.6748 -2.6748 -2.5569 -2.5569 -1.6025 -1.6025 -1.0738 -1.0738 -0.6674 -0.6674 -0.3594 -0.3594 0.7623 0.7623 2.5835 2.5835 5.1027 5.1027 5.8557 5.8557 8.3820 8.3820 8.8068 8.8068 k = 0.1316 0.1009 0.0886 ( 6428 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1047 -41.1047 -41.0626 -41.0626 -40.8756 -40.8756 -40.8213 -40.8213 -25.0008 -25.0008 -22.1146 -22.1146 -20.5421 -20.5421 -19.0497 -19.0497 -8.8685 -8.8685 -7.7315 -7.7315 -5.4675 -5.4675 -4.3957 -4.3957 -3.1175 -3.1175 -2.6604 -2.6604 -2.5720 -2.5720 -1.5966 -1.5966 -1.0671 -1.0671 -0.6671 -0.6671 -0.3533 -0.3533 0.7604 0.7604 2.5244 2.5244 5.1070 5.1070 5.8749 5.8749 8.3545 8.3545 8.8504 8.8504 k = 0.1228 0.0941 0.0827 ( 6429 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1046 -41.1046 -41.0626 -41.0626 -40.8755 -40.8755 -40.8213 -40.8213 -25.0064 -25.0064 -22.0969 -22.0969 -20.5558 -20.5558 -19.0499 -19.0499 -8.8752 -8.8752 -7.7337 -7.7337 -5.4359 -5.4359 -4.4324 -4.4324 -3.0975 -3.0975 -2.6472 -2.6472 -2.5869 -2.5869 -1.5909 -1.5909 -1.0613 -1.0613 -0.6668 -0.6668 -0.3474 -0.3474 0.7613 0.7613 2.4659 2.4659 5.1116 5.1116 5.8941 5.8941 8.3250 8.3250 8.8931 8.8931 k = 0.1140 0.0874 0.0768 ( 6430 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1046 -41.1046 -41.0626 -41.0626 -40.8754 -40.8754 -40.8212 -40.8212 -25.0116 -25.0116 -22.0800 -22.0800 -20.5689 -20.5689 -19.0500 -19.0500 -8.8816 -8.8816 -7.7357 -7.7357 -5.4037 -5.4037 -4.4692 -4.4692 -3.0776 -3.0776 -2.6360 -2.6360 -2.6010 -2.6010 -1.5856 -1.5856 -1.0564 -1.0564 -0.6665 -0.6665 -0.3418 -0.3418 0.7649 0.7649 2.4082 2.4082 5.1162 5.1162 5.9130 5.9130 8.2956 8.2956 8.9312 8.9312 k = 0.1053 0.0807 0.0708 ( 6433 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1046 -41.1046 -41.0626 -41.0626 -40.8753 -40.8753 -40.8212 -40.8212 -25.0165 -25.0165 -22.0639 -22.0639 -20.5815 -20.5815 -19.0502 -19.0502 -8.8876 -8.8876 -7.7376 -7.7376 -5.3710 -5.3710 -4.5060 -4.5060 -3.0578 -3.0578 -2.6309 -2.6309 -2.6099 -2.6099 -1.5806 -1.5806 -1.0523 -1.0523 -0.6662 -0.6662 -0.3365 -0.3365 0.7713 0.7713 2.3515 2.3515 5.1208 5.1208 5.9314 5.9314 8.2676 8.2676 8.9625 8.9625 k = 0.0965 0.0740 0.0649 ( 6431 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2016 -42.2016 -41.1046 -41.1046 -41.0625 -41.0625 -40.8752 -40.8752 -40.8212 -40.8212 -25.0210 -25.0210 -22.0487 -22.0487 -20.5934 -20.5934 -19.0503 -19.0503 -8.8931 -8.8931 -7.7393 -7.7393 -5.3379 -5.3379 -4.5430 -4.5430 -3.0381 -3.0381 -2.6399 -2.6399 -2.6058 -2.6058 -1.5761 -1.5761 -1.0492 -1.0492 -0.6659 -0.6659 -0.3315 -0.3315 0.7804 0.7804 2.2962 2.2962 5.1254 5.1254 5.9491 5.9491 8.2419 8.2419 8.9865 8.9865 k = 0.0877 0.0672 0.0590 ( 6430 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1046 -41.1046 -41.0625 -41.0625 -40.8751 -40.8751 -40.8212 -40.8212 -25.0252 -25.0252 -22.0345 -22.0345 -20.6047 -20.6047 -19.0505 -19.0505 -8.8983 -8.8983 -7.7409 -7.7409 -5.3043 -5.3043 -4.5799 -4.5799 -3.0187 -3.0187 -2.6544 -2.6544 -2.5971 -2.5971 -1.5719 -1.5719 -1.0469 -1.0469 -0.6656 -0.6656 -0.3270 -0.3270 0.7918 0.7918 2.2425 2.2425 5.1298 5.1298 5.9657 5.9657 8.2188 8.2188 9.0034 9.0034 k = 0.0789 0.0605 0.0531 ( 6434 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1046 -41.1046 -41.0626 -41.0626 -40.8750 -40.8750 -40.8211 -40.8211 -25.0290 -25.0290 -22.0214 -22.0214 -20.6151 -20.6151 -19.0506 -19.0506 -8.9030 -8.9030 -7.7423 -7.7423 -5.2704 -5.2704 -4.6169 -4.6169 -2.9994 -2.9994 -2.6699 -2.6699 -2.5884 -2.5884 -1.5682 -1.5682 -1.0453 -1.0453 -0.6653 -0.6653 -0.3229 -0.3229 0.8054 0.8054 2.1909 2.1909 5.1340 5.1340 5.9812 5.9812 8.1986 8.1986 9.0145 9.0145 k = 0.0702 0.0538 0.0472 ( 6429 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8749 -40.8749 -40.8211 -40.8211 -25.0324 -25.0324 -22.0094 -22.0094 -20.6247 -20.6247 -19.0507 -19.0507 -8.9072 -8.9072 -7.7436 -7.7436 -5.2360 -5.2360 -4.6540 -4.6540 -2.9803 -2.9803 -2.6859 -2.6859 -2.5803 -2.5803 -1.5649 -1.5649 -1.0444 -1.0444 -0.6650 -0.6650 -0.3192 -0.3192 0.8207 0.8207 2.1418 2.1418 5.1379 5.1379 5.9954 5.9954 8.1813 8.1813 9.0208 9.0208 k = 0.0614 0.0471 0.0413 ( 6430 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8749 -40.8749 -40.8211 -40.8211 -25.0354 -25.0354 -21.9986 -21.9986 -20.6333 -20.6333 -19.0508 -19.0508 -8.9110 -8.9110 -7.7447 -7.7447 -5.2013 -5.2013 -4.6909 -4.6909 -2.9615 -2.9615 -2.7020 -2.7020 -2.5729 -2.5729 -1.5620 -1.5620 -1.0441 -1.0441 -0.6648 -0.6648 -0.3160 -0.3160 0.8370 0.8370 2.0957 2.0957 5.1415 5.1415 6.0080 6.0080 8.1668 8.1668 9.0234 9.0234 k = 0.0526 0.0403 0.0354 ( 6424 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8748 -40.8748 -40.8211 -40.8211 -25.0380 -25.0380 -21.9891 -21.9891 -20.6409 -20.6409 -19.0509 -19.0509 -8.9143 -8.9143 -7.7457 -7.7457 -5.1664 -5.1664 -4.7279 -4.7279 -2.9430 -2.9430 -2.7182 -2.7182 -2.5664 -2.5664 -1.5596 -1.5596 -1.0441 -1.0441 -0.6646 -0.6646 -0.3133 -0.3133 0.8538 0.8538 2.0535 2.0535 5.1448 5.1448 6.0192 6.0192 8.1549 8.1549 9.0235 9.0235 k = 0.0439 0.0336 0.0295 ( 6423 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0402 -25.0402 -21.9809 -21.9809 -20.6475 -20.6475 -19.0509 -19.0509 -8.9171 -8.9171 -7.7466 -7.7466 -5.1311 -5.1311 -4.7649 -4.7649 -2.9249 -2.9249 -2.7344 -2.7344 -2.5608 -2.5608 -1.5576 -1.5576 -1.0444 -1.0444 -0.6644 -0.6644 -0.3109 -0.3109 0.8701 0.8701 2.0156 2.0156 5.1475 5.1475 6.0286 6.0286 8.1455 8.1455 9.0218 9.0218 k = 0.0351 0.0269 0.0236 ( 6421 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0420 -25.0420 -21.9741 -21.9741 -20.6530 -20.6530 -19.0510 -19.0510 -8.9194 -8.9194 -7.7472 -7.7472 -5.0957 -5.0957 -4.8017 -4.8017 -2.9073 -2.9073 -2.7503 -2.7503 -2.5562 -2.5562 -1.5559 -1.5559 -1.0449 -1.0449 -0.6642 -0.6642 -0.3091 -0.3091 0.8853 0.8853 1.9830 1.9830 5.1499 5.1499 6.0364 6.0364 8.1383 8.1383 9.0193 9.0193 k = 0.0263 0.0202 0.0177 ( 6419 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8610 -42.8610 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0435 -25.0435 -21.9688 -21.9688 -20.6573 -20.6573 -19.0510 -19.0510 -8.9211 -8.9211 -7.7478 -7.7478 -5.0602 -5.0602 -4.8383 -4.8383 -2.8905 -2.8905 -2.7658 -2.7658 -2.5526 -2.5526 -1.5547 -1.5547 -1.0454 -1.0454 -0.6641 -0.6641 -0.3076 -0.3076 0.8983 0.8983 1.9565 1.9565 5.1517 5.1517 6.0425 6.0425 8.1329 8.1329 9.0166 9.0166 k = 0.0175 0.0134 0.0118 ( 6419 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8747 -40.8747 -40.8210 -40.8210 -25.0445 -25.0445 -21.9650 -21.9650 -20.6604 -20.6604 -19.0511 -19.0511 -8.9225 -8.9225 -7.7482 -7.7482 -5.0247 -5.0247 -4.8745 -4.8745 -2.8753 -2.8753 -2.7802 -2.7802 -2.5500 -2.5500 -1.5538 -1.5538 -1.0458 -1.0458 -0.6640 -0.6640 -0.3066 -0.3066 0.9083 0.9083 1.9369 1.9369 5.1531 5.1531 6.0468 6.0468 8.1293 8.1293 9.0143 9.0143 k = 0.0088 0.0067 0.0059 ( 6418 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0451 -25.0451 -21.9627 -21.9627 -20.6623 -20.6623 -19.0511 -19.0511 -8.9232 -8.9232 -7.7484 -7.7484 -4.9902 -4.9902 -4.9094 -4.9094 -2.8634 -2.8634 -2.7916 -2.7916 -2.5484 -2.5484 -1.5533 -1.5533 -1.0461 -1.0461 -0.6640 -0.6640 -0.3060 -0.3060 0.9147 0.9147 1.9248 1.9248 5.1539 5.1539 6.0494 6.0494 8.1273 8.1273 9.0127 9.0127 k = 0.0000 0.0000 0.0000 ( 6409 PWs) bands (ev): -74.5310 -74.5310 -74.5027 -74.5027 -42.8609 -42.8609 -42.2015 -42.2015 -41.1045 -41.1045 -41.0625 -41.0625 -40.8746 -40.8746 -40.8210 -40.8210 -25.0453 -25.0453 -21.9619 -21.9619 -20.6629 -20.6629 -19.0511 -19.0511 -8.9234 -8.9234 -7.7485 -7.7485 -4.9671 -4.9671 -4.9326 -4.9326 -2.8585 -2.8585 -2.7963 -2.7963 -2.5478 -2.5478 -1.5531 -1.5531 -1.0462 -1.0462 -0.6639 -0.6639 -0.3057 -0.3057 0.9169 0.9169 1.9207 1.9207 5.1541 5.1541 6.0503 6.0503 8.1266 8.1266 9.0121 9.0121 Writing output data file MgF2.save init_run : 2.01s CPU 11.57s WALL ( 1 calls) electrons : 611.26s CPU 618.54s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.07s WALL ( 1 calls) potinit : 0.47s CPU 1.73s WALL ( 1 calls) Called by electrons: c_bands : 611.23s CPU 618.18s WALL ( 1 calls) v_of_rho : 0.09s CPU 0.93s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.09s CPU 0.61s WALL ( 1 calls) newd : 0.22s CPU 0.41s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.03s CPU 0.14s WALL ( 301 calls) cegterg : 580.54s CPU 584.66s WALL ( 588 calls) Called by sum_band: Called by *egterg: h_psi : 293.39s CPU 299.33s WALL ( 8341 calls) s_psi : 11.49s CPU 11.97s WALL ( 8341 calls) g_psi : 0.79s CPU 0.83s WALL ( 7452 calls) cdiaghg : 180.31s CPU 178.77s WALL ( 7753 calls) cegterg:over : 58.61s CPU 56.87s WALL ( 7452 calls) cegterg:upda : 16.17s CPU 18.47s WALL ( 7452 calls) cegterg:last : 13.33s CPU 13.88s WALL ( 1491 calls) Called by h_psi: h_psi:vloc : 261.12s CPU 265.79s WALL ( 8341 calls) h_psi:vnl : 31.89s CPU 32.71s WALL ( 8341 calls) add_vuspsi : 7.64s CPU 10.10s WALL ( 8341 calls) General routines calbec : 24.21s CPU 22.52s WALL ( 8341 calls) fft : 0.32s CPU 1.67s WALL ( 19 calls) ffts : 0.02s CPU 0.02s WALL ( 4 calls) fftw : 242.56s CPU 250.46s WALL ( 1034616 calls) interpolate : 0.15s CPU 0.16s WALL ( 4 calls) davcio : 0.04s CPU 1.86s WALL ( 602 calls) Parallel routines fft_scatter : 144.54s CPU 154.85s WALL ( 1034639 calls) PWSCF : 11m12.97s CPU 13m24.03s WALL This run was terminated on: 4: 2:51 20Jul2015 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=