Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:16: 1 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), running on 36 processors R & G space division: proc/nbgrp/npool/nimage = 36 Waiting for input... Reading input from standard input Current dimensions of program PWSCF are: Max number of different atomic species (ntypx) = 10 Max number of k-points (npk) = 40000 Max angular momentum in pseudopotentials (lmaxx) = 3 Atomic positions and unit cell read from directory: ./YSi2.save/ file Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S 4P renormalized Subspace diagonalization in iterative solution of the eigenvalue problem: one sub-group per k-point group (pool) will be used scalapack distributed-memory algorithm (size of sub-group: 4* 4 procs) Parallelization info -------------------- sticks: dense smooth PW G-vecs: dense smooth PW Min 78 53 15 1439 797 130 Max 79 54 16 1440 810 133 Sum 2819 1919 565 51825 28969 4725 bravais-lattice index = 14 lattice parameter (alat) = 13.7814 a.u. unit-cell volume = 739.0635 (a.u.)^3 number of atoms/cell = 6 number of atomic types = 2 number of electrons = 38.00 number of Kohn-Sham states= 46 kinetic-energy cutoff = 44.0000 Ry charge density cutoff = 258.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.781390 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.846558 celldm(5)= -0.846558 celldm(6)= 0.693116 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.693116 0.720826 0.000000 ) a(3) = ( -0.846558 -0.360413 0.391717 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.961558 1.276432 ) b(2) = ( 0.000000 1.387297 1.276432 ) b(3) = ( 0.000000 0.000000 2.552865 ) PseudoPot. # 1 for Si read from file: /users/gautes/Pseudo/Si.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: b835890840a210e39275f4497a2439d5 Pseudo is Ultrasoft + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1141 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 2 for Y read from file: /users/gautes/Pseudo/Y.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 25a826a599bbcba7ebf619f9598d90b1 Pseudo is Ultrasoft + core correction, Zval = 11.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1223 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Si 4.00 28.08550 Si( 1.00) Y 11.00 88.90590 Y( 1.00) 4 Sym. Ops., with inversion, found ( 3 have fractional translation) 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 = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( 0.0000000 ) ( 1 1 1 ) ( 0.0000000 ) cart. s( 2) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.5000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) ( 0.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) f =( 0.5000000 ) ( 0 -1 0 ) ( -0.5000000 ) ( 0 0 -1 ) ( 0.0000000 ) cart. s( 3) = ( -1.0000000 0.0000000 -0.0000000 ) f =( 0.1534420 ) ( 0.0000000 -1.0000000 0.0000000 ) ( -0.3604131 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) f =( 0.0000000 ) ( 0 1 0 ) ( -0.5000000 ) ( -1 -1 -1 ) ( 0.0000000 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) f =( -0.3465580 ) ( 0.0000000 1.0000000 0.0000000 ) ( -0.3604131 ) ( 0.0000000 0.0000000 -1.0000000 ) ( 0.0000000 ) double point group C_2h (2/m) there are 8 classes and 4 irreducible representations the character table: E -E C2 -C2 i -i s_h -s_h G_3+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_4+ 1.00 -1.00 0.00 0.00 1.00 -1.00 0.00 0.00 G_3- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 G_4- 1.00 -1.00 0.00 0.00 -1.00 1.00 0.00 0.00 imaginary part E -E C2 -C2 i -i s_h -s_h G_3+ 0.00 0.00 1.00 -1.00 0.00 0.00 1.00 -1.00 G_4+ 0.00 0.00 -1.00 1.00 0.00 0.00 -1.00 1.00 G_3- 0.00 0.00 1.00 -1.00 0.00 0.00 -1.00 1.00 G_4- 0.00 0.00 -1.00 1.00 0.00 0.00 1.00 -1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E C2 2 180 deg rotation - cart. axis [0,0,1] -C2 -2 180 deg rotation - cart. axis [0,0,1] E i 3 inversion -i -3 inversion E s_h 4 inv. 180 deg rotation - cart. axis [0,0,1] -s_h -4 inv. 180 deg rotation - cart. axis [0,0,1] E Cartesian axes number of k points= 338 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0000000 0.0000000 0.0232079), wk = 0.0029586 k( 3) = ( 0.0000000 0.0000000 0.0464157), wk = 0.0029586 k( 4) = ( 0.0000000 0.0000000 0.0696236), wk = 0.0029586 k( 5) = ( 0.0000000 0.0000000 0.0928315), wk = 0.0029586 k( 6) = ( 0.0000000 0.0000000 0.1160393), wk = 0.0029586 k( 7) = ( 0.0000000 0.0000000 0.1392472), wk = 0.0029586 k( 8) = ( 0.0000000 0.0000000 0.1624550), wk = 0.0029586 k( 9) = ( 0.0000000 0.0000000 0.1856629), wk = 0.0029586 k( 10) = ( 0.0000000 0.0000000 0.2088707), wk = 0.0029586 k( 11) = ( 0.0000000 0.0000000 0.2320786), wk = 0.0029586 k( 12) = ( 0.0000000 0.0000000 0.2552865), wk = 0.0029586 k( 13) = ( 0.0000000 0.0000000 0.2784943), wk = 0.0029586 k( 14) = ( 0.0000000 0.0000000 0.3017022), wk = 0.0029586 k( 15) = ( 0.0000000 0.0000000 0.3249101), wk = 0.0029586 k( 16) = ( 0.0000000 0.0000000 0.3481179), wk = 0.0029586 k( 17) = ( 0.0000000 0.0000000 0.3713258), wk = 0.0029586 k( 18) = ( 0.0000000 0.0000000 0.3945336), wk = 0.0029586 k( 19) = ( 0.0000000 0.0000000 0.4177415), wk = 0.0029586 k( 20) = ( 0.0000000 0.0000000 0.4409494), wk = 0.0029586 k( 21) = ( 0.0000000 0.0000000 0.4641572), wk = 0.0029586 k( 22) = ( 0.0000000 0.0000000 0.4873651), wk = 0.0029586 k( 23) = ( 0.0000000 0.0000000 0.5105729), wk = 0.0029586 k( 24) = ( 0.0000000 0.0000000 0.5337808), wk = 0.0029586 k( 25) = ( 0.0000000 0.0000000 0.5569887), wk = 0.0029586 k( 26) = ( 0.0000000 0.0000000 0.5801965), wk = 0.0029586 k( 27) = ( 0.0000000 0.0000000 0.6034044), wk = 0.0029586 k( 28) = ( 0.0000000 0.0000000 0.6266123), wk = 0.0029586 k( 29) = ( 0.0000000 0.0000000 0.6498201), wk = 0.0029586 k( 30) = ( 0.0000000 0.0000000 0.6730280), wk = 0.0029586 k( 31) = ( 0.0000000 0.0000000 0.6962358), wk = 0.0029586 k( 32) = ( 0.0000000 0.0000000 0.7194437), wk = 0.0029586 k( 33) = ( 0.0000000 0.0000000 0.7426516), wk = 0.0029586 k( 34) = ( 0.0000000 0.0000000 0.7658594), wk = 0.0029586 k( 35) = ( 0.0000000 0.0000000 0.7890673), wk = 0.0029586 k( 36) = ( 0.0000000 0.0000000 0.8122752), wk = 0.0029586 k( 37) = ( 0.0000000 0.0000000 0.8354830), wk = 0.0029586 k( 38) = ( 0.0000000 0.0000000 0.8586909), wk = 0.0029586 k( 39) = ( 0.0000000 0.0000000 0.8818987), wk = 0.0029586 k( 40) = ( 0.0000000 0.0000000 0.9051066), wk = 0.0029586 k( 41) = ( 0.0000000 0.0000000 0.9283144), wk = 0.0029586 k( 42) = ( 0.0000000 0.0000000 0.9515223), wk = 0.0029586 k( 43) = ( 0.0000000 0.0000000 0.9747302), wk = 0.0029586 k( 44) = ( 0.0000000 0.0000000 0.9979380), wk = 0.0029586 k( 45) = ( 0.0000000 0.0000000 1.0211459), wk = 0.0029586 k( 46) = ( 0.0000000 0.0000000 1.0443538), wk = 0.0029586 k( 47) = ( 0.0000000 0.0000000 1.0675616), wk = 0.0029586 k( 48) = ( 0.0000000 0.0000000 1.0907695), wk = 0.0029586 k( 49) = ( 0.0000000 0.0000000 1.1139774), wk = 0.0029586 k( 50) = ( 0.0000000 0.0000000 1.1371852), wk = 0.0029586 k( 51) = ( 0.0000000 0.0000000 1.1603931), wk = 0.0029586 k( 52) = ( 0.0000000 0.0000000 1.1836009), wk = 0.0029586 k( 53) = ( 0.0000000 0.0000000 1.2068088), wk = 0.0029586 k( 54) = ( 0.0000000 0.0000000 1.2300166), wk = 0.0029586 k( 55) = ( 0.0000000 0.0000000 1.2532245), wk = 0.0029586 k( 56) = ( 0.0000000 0.0000000 1.2764324), wk = 0.0029586 k( 57) = ( 0.0000000 0.0000000 1.2764324), wk = 0.0029586 k( 58) = ( -0.0090627 0.0212870 1.2764324), wk = 0.0029586 k( 59) = ( -0.0181254 0.0425739 1.2764324), wk = 0.0029586 k( 60) = ( -0.0271881 0.0638609 1.2764324), wk = 0.0029586 k( 61) = ( -0.0362508 0.0851479 1.2764324), wk = 0.0029586 k( 62) = ( -0.0453135 0.1064349 1.2764324), wk = 0.0029586 k( 63) = ( -0.0453135 0.1064349 1.2764324), wk = 0.0029586 k( 64) = ( -0.0516286 0.1212681 1.2603108), wk = 0.0029586 k( 65) = ( -0.0579437 0.1361013 1.2441892), wk = 0.0029586 k( 66) = ( -0.0642588 0.1509345 1.2280677), wk = 0.0029586 k( 67) = ( -0.0705739 0.1657678 1.2119461), wk = 0.0029586 k( 68) = ( -0.0768890 0.1806010 1.1958245), wk = 0.0029586 k( 69) = ( -0.0832041 0.1954342 1.1797029), wk = 0.0029586 k( 70) = ( -0.0895191 0.2102675 1.1635814), wk = 0.0029586 k( 71) = ( -0.0958342 0.2251007 1.1474598), wk = 0.0029586 k( 72) = ( -0.1021493 0.2399339 1.1313382), wk = 0.0029586 k( 73) = ( -0.1084644 0.2547671 1.1152167), wk = 0.0029586 k( 74) = ( -0.1147795 0.2696004 1.0990951), wk = 0.0029586 k( 75) = ( -0.1210946 0.2844336 1.0829735), wk = 0.0029586 k( 76) = ( -0.1274097 0.2992668 1.0668520), wk = 0.0029586 k( 77) = ( -0.1337248 0.3141001 1.0507304), wk = 0.0029586 k( 78) = ( -0.1400399 0.3289333 1.0346088), wk = 0.0029586 k( 79) = ( -0.1463550 0.3437665 1.0184872), wk = 0.0029586 k( 80) = ( -0.1526700 0.3585997 1.0023657), wk = 0.0029586 k( 81) = ( -0.1589851 0.3734330 0.9862441), wk = 0.0029586 k( 82) = ( -0.1653002 0.3882662 0.9701225), wk = 0.0029586 k( 83) = ( -0.1716153 0.4030994 0.9540010), wk = 0.0029586 k( 84) = ( -0.1779304 0.4179327 0.9378794), wk = 0.0029586 k( 85) = ( -0.1842455 0.4327659 0.9217578), wk = 0.0029586 k( 86) = ( -0.1905606 0.4475991 0.9056362), wk = 0.0029586 k( 87) = ( -0.1968757 0.4624323 0.8895147), wk = 0.0029586 k( 88) = ( -0.2031908 0.4772656 0.8733931), wk = 0.0029586 k( 89) = ( -0.2095058 0.4920988 0.8572715), wk = 0.0029586 k( 90) = ( -0.2158209 0.5069320 0.8411500), wk = 0.0029586 k( 91) = ( -0.2221360 0.5217653 0.8250284), wk = 0.0029586 k( 92) = ( -0.2284511 0.5365985 0.8089068), wk = 0.0029586 k( 93) = ( -0.2347662 0.5514317 0.7927853), wk = 0.0029586 k( 94) = ( -0.2410813 0.5662649 0.7766637), wk = 0.0029586 k( 95) = ( -0.2473964 0.5810982 0.7605421), wk = 0.0029586 k( 96) = ( -0.2537115 0.5959314 0.7444205), wk = 0.0029586 k( 97) = ( -0.2600266 0.6107646 0.7282990), wk = 0.0029586 k( 98) = ( -0.2663417 0.6255979 0.7121774), wk = 0.0029586 k( 99) = ( -0.2726568 0.6404311 0.6960558), wk = 0.0029586 k( 100) = ( -0.2726568 0.6404311 0.6960558), wk = 0.0029586 k( 101) = ( -0.2663159 0.6255374 0.6798685), wk = 0.0029586 k( 102) = ( -0.2599750 0.6106436 0.6636811), wk = 0.0029586 k( 103) = ( -0.2536342 0.5957499 0.6474938), wk = 0.0029586 k( 104) = ( -0.2472933 0.5808561 0.6313065), wk = 0.0029586 k( 105) = ( -0.2409525 0.5659624 0.6151191), wk = 0.0029586 k( 106) = ( -0.2346116 0.5510686 0.5989318), wk = 0.0029586 k( 107) = ( -0.2282708 0.5361749 0.5827444), wk = 0.0029586 k( 108) = ( -0.2219299 0.5212811 0.5665571), wk = 0.0029586 k( 109) = ( -0.2155891 0.5063874 0.5503697), wk = 0.0029586 k( 110) = ( -0.2092482 0.4914936 0.5341824), wk = 0.0029586 k( 111) = ( -0.2029073 0.4765999 0.5179950), wk = 0.0029586 k( 112) = ( -0.1965665 0.4617061 0.5018077), wk = 0.0029586 k( 113) = ( -0.1902256 0.4468124 0.4856203), wk = 0.0029586 k( 114) = ( -0.1838848 0.4319187 0.4694330), wk = 0.0029586 k( 115) = ( -0.1775439 0.4170249 0.4532456), wk = 0.0029586 k( 116) = ( -0.1712031 0.4021312 0.4370583), wk = 0.0029586 k( 117) = ( -0.1648622 0.3872374 0.4208709), wk = 0.0029586 k( 118) = ( -0.1585214 0.3723437 0.4046836), wk = 0.0029586 k( 119) = ( -0.1521805 0.3574499 0.3884963), wk = 0.0029586 k( 120) = ( -0.1458397 0.3425562 0.3723089), wk = 0.0029586 k( 121) = ( -0.1394988 0.3276624 0.3561216), wk = 0.0029586 k( 122) = ( -0.1331579 0.3127687 0.3399342), wk = 0.0029586 k( 123) = ( -0.1268171 0.2978749 0.3237469), wk = 0.0029586 k( 124) = ( -0.1204762 0.2829812 0.3075595), wk = 0.0029586 k( 125) = ( -0.1141354 0.2680874 0.2913722), wk = 0.0029586 k( 126) = ( -0.1077945 0.2531937 0.2751849), wk = 0.0029586 k( 127) = ( -0.1014537 0.2383000 0.2589975), wk = 0.0029586 k( 128) = ( -0.0951128 0.2234062 0.2428102), wk = 0.0029586 k( 129) = ( -0.0887720 0.2085125 0.2266228), wk = 0.0029586 k( 130) = ( -0.0824311 0.1936187 0.2104355), wk = 0.0029586 k( 131) = ( -0.0760903 0.1787250 0.1942481), wk = 0.0029586 k( 132) = ( -0.0697494 0.1638312 0.1780608), wk = 0.0029586 k( 133) = ( -0.0634085 0.1489375 0.1618735), wk = 0.0029586 k( 134) = ( -0.0570677 0.1340437 0.1456861), wk = 0.0029586 k( 135) = ( -0.0507268 0.1191500 0.1294988), wk = 0.0029586 k( 136) = ( -0.0443860 0.1042562 0.1133114), wk = 0.0029586 k( 137) = ( -0.0380451 0.0893625 0.0971241), wk = 0.0029586 k( 138) = ( -0.0317043 0.0744687 0.0809367), wk = 0.0029586 k( 139) = ( -0.0253634 0.0595750 0.0647494), wk = 0.0029586 k( 140) = ( -0.0190226 0.0446812 0.0485620), wk = 0.0029586 k( 141) = ( -0.0126817 0.0297875 0.0323747), wk = 0.0029586 k( 142) = ( -0.0063409 0.0148937 0.0161873), wk = 0.0029586 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 145) = ( 0.0208333 0.0088696 0.0000000), wk = 0.0029586 k( 146) = ( 0.0416667 0.0177391 0.0000000), wk = 0.0029586 k( 147) = ( 0.0625000 0.0266087 0.0000000), wk = 0.0029586 k( 148) = ( 0.0833333 0.0354783 0.0000000), wk = 0.0029586 k( 149) = ( 0.1041667 0.0443479 0.0000000), wk = 0.0029586 k( 150) = ( 0.1250000 0.0532174 0.0000000), wk = 0.0029586 k( 151) = ( 0.1458333 0.0620870 0.0000000), wk = 0.0029586 k( 152) = ( 0.1666667 0.0709566 0.0000000), wk = 0.0029586 k( 153) = ( 0.1875000 0.0798261 0.0000000), wk = 0.0029586 k( 154) = ( 0.2083333 0.0886957 0.0000000), wk = 0.0029586 k( 155) = ( 0.2291667 0.0975653 0.0000000), wk = 0.0029586 k( 156) = ( 0.2500000 0.1064349 0.0000000), wk = 0.0029586 k( 157) = ( 0.2708333 0.1153044 0.0000000), wk = 0.0029586 k( 158) = ( 0.2916667 0.1241740 0.0000000), wk = 0.0029586 k( 159) = ( 0.3125000 0.1330436 0.0000000), wk = 0.0029586 k( 160) = ( 0.3333333 0.1419131 0.0000000), wk = 0.0029586 k( 161) = ( 0.3541667 0.1507827 0.0000000), wk = 0.0029586 k( 162) = ( 0.3750000 0.1596523 0.0000000), wk = 0.0029586 k( 163) = ( 0.3958333 0.1685218 0.0000000), wk = 0.0029586 k( 164) = ( 0.4166667 0.1773914 0.0000000), wk = 0.0029586 k( 165) = ( 0.4375000 0.1862610 0.0000000), wk = 0.0029586 k( 166) = ( 0.4583333 0.1951306 0.0000000), wk = 0.0029586 k( 167) = ( 0.4791667 0.2040001 0.0000000), wk = 0.0029586 k( 168) = ( 0.5000000 0.2128697 0.0000000), wk = 0.0029586 k( 169) = ( 0.5000000 0.2128697 0.0000000), wk = 0.0029586 k( 170) = ( 0.4936849 0.2277029 0.0161216), wk = 0.0029586 k( 171) = ( 0.4873698 0.2425362 0.0322431), wk = 0.0029586 k( 172) = ( 0.4810547 0.2573694 0.0483647), wk = 0.0029586 k( 173) = ( 0.4747396 0.2722026 0.0644863), wk = 0.0029586 k( 174) = ( 0.4684245 0.2870358 0.0806079), wk = 0.0029586 k( 175) = ( 0.4621095 0.3018691 0.0967294), wk = 0.0029586 k( 176) = ( 0.4557944 0.3167023 0.1128510), wk = 0.0029586 k( 177) = ( 0.4494793 0.3315355 0.1289726), wk = 0.0029586 k( 178) = ( 0.4431642 0.3463688 0.1450941), wk = 0.0029586 k( 179) = ( 0.4368491 0.3612020 0.1612157), wk = 0.0029586 k( 180) = ( 0.4305340 0.3760352 0.1773373), wk = 0.0029586 k( 181) = ( 0.4242189 0.3908684 0.1934588), wk = 0.0029586 k( 182) = ( 0.4179038 0.4057017 0.2095804), wk = 0.0029586 k( 183) = ( 0.4115887 0.4205349 0.2257020), wk = 0.0029586 k( 184) = ( 0.4052736 0.4353681 0.2418236), wk = 0.0029586 k( 185) = ( 0.3989586 0.4502014 0.2579451), wk = 0.0029586 k( 186) = ( 0.3926435 0.4650346 0.2740667), wk = 0.0029586 k( 187) = ( 0.3863284 0.4798678 0.2901883), wk = 0.0029586 k( 188) = ( 0.3800133 0.4947010 0.3063098), wk = 0.0029586 k( 189) = ( 0.3736982 0.5095343 0.3224314), wk = 0.0029586 k( 190) = ( 0.3673831 0.5243675 0.3385530), wk = 0.0029586 k( 191) = ( 0.3610680 0.5392007 0.3546746), wk = 0.0029586 k( 192) = ( 0.3547529 0.5540340 0.3707961), wk = 0.0029586 k( 193) = ( 0.3484378 0.5688672 0.3869177), wk = 0.0029586 k( 194) = ( 0.3421227 0.5837004 0.4030393), wk = 0.0029586 k( 195) = ( 0.3358077 0.5985337 0.4191608), wk = 0.0029586 k( 196) = ( 0.3294926 0.6133669 0.4352824), wk = 0.0029586 k( 197) = ( 0.3231775 0.6282001 0.4514040), wk = 0.0029586 k( 198) = ( 0.3168624 0.6430333 0.4675255), wk = 0.0029586 k( 199) = ( 0.3105473 0.6578666 0.4836471), wk = 0.0029586 k( 200) = ( 0.3042322 0.6726998 0.4997687), wk = 0.0029586 k( 201) = ( 0.2979171 0.6875330 0.5158903), wk = 0.0029586 k( 202) = ( 0.2916020 0.7023663 0.5320118), wk = 0.0029586 k( 203) = ( 0.2852869 0.7171995 0.5481334), wk = 0.0029586 k( 204) = ( 0.2789719 0.7320327 0.5642550), wk = 0.0029586 k( 205) = ( 0.2726568 0.7468660 0.5803766), wk = 0.0029586 k( 206) = ( 0.2726568 0.7468660 0.5803766), wk = 0.0029586 k( 207) = ( 0.2516832 0.7427723 0.5848258), wk = 0.0029586 k( 208) = ( 0.2307096 0.7386787 0.5892750), wk = 0.0029586 k( 209) = ( 0.2097360 0.7345850 0.5937242), wk = 0.0029586 k( 210) = ( 0.1887624 0.7304914 0.5981734), wk = 0.0029586 k( 211) = ( 0.1677888 0.7263977 0.6026226), wk = 0.0029586 k( 212) = ( 0.1468152 0.7223041 0.6070718), wk = 0.0029586 k( 213) = ( 0.1258416 0.7182104 0.6115210), wk = 0.0029586 k( 214) = ( 0.1048680 0.7141168 0.6159702), wk = 0.0029586 k( 215) = ( 0.0838944 0.7100231 0.6204194), wk = 0.0029586 k( 216) = ( 0.0629208 0.7059295 0.6248686), wk = 0.0029586 k( 217) = ( 0.0419472 0.7018358 0.6293178), wk = 0.0029586 k( 218) = ( 0.0209736 0.6977422 0.6337670), wk = 0.0029586 k( 219) = ( 0.0000000 0.6936485 0.6382162), wk = 0.0029586 k( 220) = ( 0.0000000 0.6936485 0.6382162), wk = 0.0029586 k( 221) = ( 0.0064103 0.6785918 0.6545807), wk = 0.0029586 k( 222) = ( 0.0128205 0.6635350 0.6709452), wk = 0.0029586 k( 223) = ( 0.0192308 0.6484782 0.6873097), wk = 0.0029586 k( 224) = ( 0.0256410 0.6334215 0.7036743), wk = 0.0029586 k( 225) = ( 0.0320513 0.6183647 0.7200388), wk = 0.0029586 k( 226) = ( 0.0384615 0.6033080 0.7364033), wk = 0.0029586 k( 227) = ( 0.0448718 0.5882512 0.7527678), wk = 0.0029586 k( 228) = ( 0.0512821 0.5731944 0.7691323), wk = 0.0029586 k( 229) = ( 0.0576923 0.5581377 0.7854969), wk = 0.0029586 k( 230) = ( 0.0641026 0.5430809 0.8018614), wk = 0.0029586 k( 231) = ( 0.0705128 0.5280242 0.8182259), wk = 0.0029586 k( 232) = ( 0.0769231 0.5129674 0.8345904), wk = 0.0029586 k( 233) = ( 0.0833333 0.4979106 0.8509549), wk = 0.0029586 k( 234) = ( 0.0897436 0.4828539 0.8673194), wk = 0.0029586 k( 235) = ( 0.0961538 0.4677971 0.8836840), wk = 0.0029586 k( 236) = ( 0.1025641 0.4527404 0.9000485), wk = 0.0029586 k( 237) = ( 0.1089744 0.4376836 0.9164130), wk = 0.0029586 k( 238) = ( 0.1153846 0.4226268 0.9327775), wk = 0.0029586 k( 239) = ( 0.1217949 0.4075701 0.9491420), wk = 0.0029586 k( 240) = ( 0.1282051 0.3925133 0.9655065), wk = 0.0029586 k( 241) = ( 0.1346154 0.3774566 0.9818710), wk = 0.0029586 k( 242) = ( 0.1410256 0.3623998 0.9982356), wk = 0.0029586 k( 243) = ( 0.1474359 0.3473430 1.0146001), wk = 0.0029586 k( 244) = ( 0.1538461 0.3322863 1.0309646), wk = 0.0029586 k( 245) = ( 0.1602564 0.3172295 1.0473291), wk = 0.0029586 k( 246) = ( 0.1666667 0.3021727 1.0636937), wk = 0.0029586 k( 247) = ( 0.1730769 0.2871160 1.0800582), wk = 0.0029586 k( 248) = ( 0.1794872 0.2720592 1.0964227), wk = 0.0029586 k( 249) = ( 0.1858974 0.2570025 1.1127872), wk = 0.0029586 k( 250) = ( 0.1923077 0.2419457 1.1291517), wk = 0.0029586 k( 251) = ( 0.1987180 0.2268889 1.1455162), wk = 0.0029586 k( 252) = ( 0.2051282 0.2118322 1.1618808), wk = 0.0029586 k( 253) = ( 0.2115385 0.1967754 1.1782453), wk = 0.0029586 k( 254) = ( 0.2179487 0.1817187 1.1946098), wk = 0.0029586 k( 255) = ( 0.2243590 0.1666619 1.2109743), wk = 0.0029586 k( 256) = ( 0.2307692 0.1516051 1.2273388), wk = 0.0029586 k( 257) = ( 0.2371795 0.1365484 1.2437033), wk = 0.0029586 k( 258) = ( 0.2435897 0.1214916 1.2600678), wk = 0.0029586 k( 259) = ( 0.2500000 0.1064349 1.2764324), wk = 0.0029586 k( 260) = ( 0.2500000 0.1064349 1.2764324), wk = 0.0029586 k( 261) = ( 0.2692308 0.1146221 1.2675340), wk = 0.0029586 k( 262) = ( 0.2884615 0.1228094 1.2586356), wk = 0.0029586 k( 263) = ( 0.3076923 0.1309967 1.2497372), wk = 0.0029586 k( 264) = ( 0.3269231 0.1391840 1.2408388), wk = 0.0029586 k( 265) = ( 0.3461538 0.1473713 1.2319404), wk = 0.0029586 k( 266) = ( 0.3653846 0.1555586 1.2230420), wk = 0.0029586 k( 267) = ( 0.3846154 0.1637459 1.2141435), wk = 0.0029586 k( 268) = ( 0.4038462 0.1719332 1.2052451), wk = 0.0029586 k( 269) = ( 0.4230769 0.1801205 1.1963467), wk = 0.0029586 k( 270) = ( 0.4423077 0.1883078 1.1874483), wk = 0.0029586 k( 271) = ( 0.4615385 0.1964951 1.1785499), wk = 0.0029586 k( 272) = ( 0.4807692 0.2046824 1.1696515), wk = 0.0029586 k( 273) = ( 0.5000000 0.2128697 1.1607531), wk = 0.0029586 k( 274) = ( 0.5000000 0.2128697 1.1607531), wk = 0.0029586 k( 275) = ( 0.5000000 0.2128697 1.1379933), wk = 0.0029586 k( 276) = ( 0.5000000 0.2128697 1.1152334), wk = 0.0029586 k( 277) = ( 0.5000000 0.2128697 1.0924735), wk = 0.0029586 k( 278) = ( 0.5000000 0.2128697 1.0697136), wk = 0.0029586 k( 279) = ( 0.5000000 0.2128697 1.0469538), wk = 0.0029586 k( 280) = ( 0.5000000 0.2128697 1.0241939), wk = 0.0029586 k( 281) = ( 0.5000000 0.2128697 1.0014341), wk = 0.0029586 k( 282) = ( 0.5000000 0.2128697 0.9786742), wk = 0.0029586 k( 283) = ( 0.5000000 0.2128697 0.9559143), wk = 0.0029586 k( 284) = ( 0.5000000 0.2128697 0.9331545), wk = 0.0029586 k( 285) = ( 0.5000000 0.2128697 0.9103946), wk = 0.0029586 k( 286) = ( 0.5000000 0.2128697 0.8876347), wk = 0.0029586 k( 287) = ( 0.5000000 0.2128697 0.8648749), wk = 0.0029586 k( 288) = ( 0.5000000 0.2128697 0.8421150), wk = 0.0029586 k( 289) = ( 0.5000000 0.2128697 0.8193551), wk = 0.0029586 k( 290) = ( 0.5000000 0.2128697 0.7965953), wk = 0.0029586 k( 291) = ( 0.5000000 0.2128697 0.7738354), wk = 0.0029586 k( 292) = ( 0.5000000 0.2128697 0.7510756), wk = 0.0029586 k( 293) = ( 0.5000000 0.2128697 0.7283157), wk = 0.0029586 k( 294) = ( 0.5000000 0.2128697 0.7055558), wk = 0.0029586 k( 295) = ( 0.5000000 0.2128697 0.6827959), wk = 0.0029586 k( 296) = ( 0.5000000 0.2128697 0.6600361), wk = 0.0029586 k( 297) = ( 0.5000000 0.2128697 0.6372762), wk = 0.0029586 k( 298) = ( 0.5000000 0.2128697 0.6145164), wk = 0.0029586 k( 299) = ( 0.5000000 0.2128697 0.5917565), wk = 0.0029586 k( 300) = ( 0.5000000 0.2128697 0.5689966), wk = 0.0029586 k( 301) = ( 0.5000000 0.2128697 0.5462368), wk = 0.0029586 k( 302) = ( 0.5000000 0.2128697 0.5234769), wk = 0.0029586 k( 303) = ( 0.5000000 0.2128697 0.5007170), wk = 0.0029586 k( 304) = ( 0.5000000 0.2128697 0.4779572), wk = 0.0029586 k( 305) = ( 0.5000000 0.2128697 0.4551973), wk = 0.0029586 k( 306) = ( 0.5000000 0.2128697 0.4324374), wk = 0.0029586 k( 307) = ( 0.5000000 0.2128697 0.4096776), wk = 0.0029586 k( 308) = ( 0.5000000 0.2128697 0.3869177), wk = 0.0029586 k( 309) = ( 0.5000000 0.2128697 0.3641578), wk = 0.0029586 k( 310) = ( 0.5000000 0.2128697 0.3413980), wk = 0.0029586 k( 311) = ( 0.5000000 0.2128697 0.3186381), wk = 0.0029586 k( 312) = ( 0.5000000 0.2128697 0.2958782), wk = 0.0029586 k( 313) = ( 0.5000000 0.2128697 0.2731184), wk = 0.0029586 k( 314) = ( 0.5000000 0.2128697 0.2503585), wk = 0.0029586 k( 315) = ( 0.5000000 0.2128697 0.2275986), wk = 0.0029586 k( 316) = ( 0.5000000 0.2128697 0.2048388), wk = 0.0029586 k( 317) = ( 0.5000000 0.2128697 0.1820789), wk = 0.0029586 k( 318) = ( 0.5000000 0.2128697 0.1593191), wk = 0.0029586 k( 319) = ( 0.5000000 0.2128697 0.1365592), wk = 0.0029586 k( 320) = ( 0.5000000 0.2128697 0.1137993), wk = 0.0029586 k( 321) = ( 0.5000000 0.2128697 0.0910395), wk = 0.0029586 k( 322) = ( 0.5000000 0.2128697 0.0682796), wk = 0.0029586 k( 323) = ( 0.5000000 0.2128697 0.0455197), wk = 0.0029586 k( 324) = ( 0.5000000 0.2128697 0.0227599), wk = 0.0029586 k( 325) = ( 0.5000000 0.2128697 0.0000000), wk = 0.0029586 k( 326) = ( 0.0000000 0.0000000 1.2764324), wk = 0.0029586 k( 327) = ( 0.0208333 0.0088696 1.2764324), wk = 0.0029586 k( 328) = ( 0.0416667 0.0177391 1.2764324), wk = 0.0029586 k( 329) = ( 0.0625000 0.0266087 1.2764324), wk = 0.0029586 k( 330) = ( 0.0833333 0.0354783 1.2764324), wk = 0.0029586 k( 331) = ( 0.1041667 0.0443479 1.2764324), wk = 0.0029586 k( 332) = ( 0.1250000 0.0532174 1.2764324), wk = 0.0029586 k( 333) = ( 0.1458333 0.0620870 1.2764324), wk = 0.0029586 k( 334) = ( 0.1666667 0.0709566 1.2764324), wk = 0.0029586 k( 335) = ( 0.1875000 0.0798261 1.2764324), wk = 0.0029586 k( 336) = ( 0.2083333 0.0886957 1.2764324), wk = 0.0029586 k( 337) = ( 0.2291667 0.0975653 1.2764324), wk = 0.0029586 k( 338) = ( 0.2500000 0.1064349 1.2764324), wk = 0.0029586 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 2) = ( 0.0000000 0.0000000 0.0090909), wk = 0.0029586 k( 3) = ( 0.0000000 0.0000000 0.0181818), wk = 0.0029586 k( 4) = ( 0.0000000 0.0000000 0.0272727), wk = 0.0029586 k( 5) = ( 0.0000000 0.0000000 0.0363636), wk = 0.0029586 k( 6) = ( 0.0000000 0.0000000 0.0454545), wk = 0.0029586 k( 7) = ( 0.0000000 0.0000000 0.0545454), wk = 0.0029586 k( 8) = ( 0.0000000 0.0000000 0.0636364), wk = 0.0029586 k( 9) = ( 0.0000000 0.0000000 0.0727273), wk = 0.0029586 k( 10) = ( 0.0000000 0.0000000 0.0818182), wk = 0.0029586 k( 11) = ( 0.0000000 0.0000000 0.0909091), wk = 0.0029586 k( 12) = ( 0.0000000 0.0000000 0.1000000), wk = 0.0029586 k( 13) = ( 0.0000000 0.0000000 0.1090909), wk = 0.0029586 k( 14) = ( 0.0000000 0.0000000 0.1181818), wk = 0.0029586 k( 15) = ( 0.0000000 0.0000000 0.1272727), wk = 0.0029586 k( 16) = ( 0.0000000 0.0000000 0.1363636), wk = 0.0029586 k( 17) = ( 0.0000000 0.0000000 0.1454545), wk = 0.0029586 k( 18) = ( 0.0000000 0.0000000 0.1545455), wk = 0.0029586 k( 19) = ( 0.0000000 0.0000000 0.1636364), wk = 0.0029586 k( 20) = ( 0.0000000 0.0000000 0.1727273), wk = 0.0029586 k( 21) = ( 0.0000000 0.0000000 0.1818182), wk = 0.0029586 k( 22) = ( 0.0000000 0.0000000 0.1909091), wk = 0.0029586 k( 23) = ( 0.0000000 0.0000000 0.2000000), wk = 0.0029586 k( 24) = ( 0.0000000 0.0000000 0.2090909), wk = 0.0029586 k( 25) = ( 0.0000000 0.0000000 0.2181818), wk = 0.0029586 k( 26) = ( 0.0000000 0.0000000 0.2272727), wk = 0.0029586 k( 27) = ( 0.0000000 0.0000000 0.2363636), wk = 0.0029586 k( 28) = ( 0.0000000 0.0000000 0.2454545), wk = 0.0029586 k( 29) = ( 0.0000000 0.0000000 0.2545455), wk = 0.0029586 k( 30) = ( 0.0000000 0.0000000 0.2636364), wk = 0.0029586 k( 31) = ( 0.0000000 0.0000000 0.2727273), wk = 0.0029586 k( 32) = ( 0.0000000 0.0000000 0.2818182), wk = 0.0029586 k( 33) = ( 0.0000000 0.0000000 0.2909091), wk = 0.0029586 k( 34) = ( 0.0000000 0.0000000 0.3000000), wk = 0.0029586 k( 35) = ( 0.0000000 0.0000000 0.3090909), wk = 0.0029586 k( 36) = ( 0.0000000 0.0000000 0.3181818), wk = 0.0029586 k( 37) = ( 0.0000000 0.0000000 0.3272727), wk = 0.0029586 k( 38) = ( 0.0000000 0.0000000 0.3363636), wk = 0.0029586 k( 39) = ( 0.0000000 0.0000000 0.3454546), wk = 0.0029586 k( 40) = ( 0.0000000 0.0000000 0.3545454), wk = 0.0029586 k( 41) = ( 0.0000000 0.0000000 0.3636364), wk = 0.0029586 k( 42) = ( 0.0000000 0.0000000 0.3727273), wk = 0.0029586 k( 43) = ( 0.0000000 0.0000000 0.3818182), wk = 0.0029586 k( 44) = ( 0.0000000 0.0000000 0.3909091), wk = 0.0029586 k( 45) = ( 0.0000000 0.0000000 0.4000000), wk = 0.0029586 k( 46) = ( 0.0000000 0.0000000 0.4090909), wk = 0.0029586 k( 47) = ( 0.0000000 0.0000000 0.4181818), wk = 0.0029586 k( 48) = ( 0.0000000 0.0000000 0.4272727), wk = 0.0029586 k( 49) = ( 0.0000000 0.0000000 0.4363636), wk = 0.0029586 k( 50) = ( 0.0000000 0.0000000 0.4454545), wk = 0.0029586 k( 51) = ( 0.0000000 0.0000000 0.4545454), wk = 0.0029586 k( 52) = ( 0.0000000 0.0000000 0.4636364), wk = 0.0029586 k( 53) = ( 0.0000000 0.0000000 0.4727273), wk = 0.0029586 k( 54) = ( 0.0000000 0.0000000 0.4818182), wk = 0.0029586 k( 55) = ( 0.0000000 0.0000000 0.4909091), wk = 0.0029586 k( 56) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 57) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 58) = ( -0.0090627 0.0090627 0.5000000), wk = 0.0029586 k( 59) = ( -0.0181254 0.0181254 0.5000000), wk = 0.0029586 k( 60) = ( -0.0271881 0.0271881 0.5000000), wk = 0.0029586 k( 61) = ( -0.0362508 0.0362508 0.5000000), wk = 0.0029586 k( 62) = ( -0.0453135 0.0453135 0.5000000), wk = 0.0029586 k( 63) = ( -0.0453135 0.0453135 0.5000000), wk = 0.0029586 k( 64) = ( -0.0516286 0.0516286 0.4936849), wk = 0.0029586 k( 65) = ( -0.0579437 0.0579437 0.4873698), wk = 0.0029586 k( 66) = ( -0.0642588 0.0642588 0.4810547), wk = 0.0029586 k( 67) = ( -0.0705739 0.0705739 0.4747396), wk = 0.0029586 k( 68) = ( -0.0768890 0.0768890 0.4684245), wk = 0.0029586 k( 69) = ( -0.0832041 0.0832040 0.4621095), wk = 0.0029586 k( 70) = ( -0.0895191 0.0895191 0.4557944), wk = 0.0029586 k( 71) = ( -0.0958342 0.0958342 0.4494793), wk = 0.0029586 k( 72) = ( -0.1021493 0.1021493 0.4431642), wk = 0.0029586 k( 73) = ( -0.1084644 0.1084644 0.4368491), wk = 0.0029586 k( 74) = ( -0.1147795 0.1147795 0.4305340), wk = 0.0029586 k( 75) = ( -0.1210946 0.1210946 0.4242189), wk = 0.0029586 k( 76) = ( -0.1274097 0.1274097 0.4179038), wk = 0.0029586 k( 77) = ( -0.1337248 0.1337248 0.4115887), wk = 0.0029586 k( 78) = ( -0.1400399 0.1400399 0.4052736), wk = 0.0029586 k( 79) = ( -0.1463550 0.1463549 0.3989586), wk = 0.0029586 k( 80) = ( -0.1526700 0.1526700 0.3926435), wk = 0.0029586 k( 81) = ( -0.1589851 0.1589851 0.3863284), wk = 0.0029586 k( 82) = ( -0.1653002 0.1653002 0.3800133), wk = 0.0029586 k( 83) = ( -0.1716153 0.1716153 0.3736982), wk = 0.0029586 k( 84) = ( -0.1779304 0.1779304 0.3673831), wk = 0.0029586 k( 85) = ( -0.1842455 0.1842455 0.3610680), wk = 0.0029586 k( 86) = ( -0.1905606 0.1905606 0.3547529), wk = 0.0029586 k( 87) = ( -0.1968757 0.1968757 0.3484378), wk = 0.0029586 k( 88) = ( -0.2031908 0.2031908 0.3421227), wk = 0.0029586 k( 89) = ( -0.2095058 0.2095058 0.3358077), wk = 0.0029586 k( 90) = ( -0.2158209 0.2158209 0.3294926), wk = 0.0029586 k( 91) = ( -0.2221360 0.2221360 0.3231775), wk = 0.0029586 k( 92) = ( -0.2284511 0.2284511 0.3168624), wk = 0.0029586 k( 93) = ( -0.2347662 0.2347662 0.3105473), wk = 0.0029586 k( 94) = ( -0.2410813 0.2410813 0.3042322), wk = 0.0029586 k( 95) = ( -0.2473964 0.2473964 0.2979171), wk = 0.0029586 k( 96) = ( -0.2537115 0.2537115 0.2916020), wk = 0.0029586 k( 97) = ( -0.2600266 0.2600266 0.2852869), wk = 0.0029586 k( 98) = ( -0.2663417 0.2663417 0.2789718), wk = 0.0029586 k( 99) = ( -0.2726568 0.2726568 0.2726567), wk = 0.0029586 k( 100) = ( -0.2726568 0.2726568 0.2726567), wk = 0.0029586 k( 101) = ( -0.2663159 0.2663159 0.2663159), wk = 0.0029586 k( 102) = ( -0.2599750 0.2599750 0.2599750), wk = 0.0029586 k( 103) = ( -0.2536342 0.2536342 0.2536342), wk = 0.0029586 k( 104) = ( -0.2472933 0.2472933 0.2472933), wk = 0.0029586 k( 105) = ( -0.2409525 0.2409525 0.2409525), wk = 0.0029586 k( 106) = ( -0.2346116 0.2346116 0.2346116), wk = 0.0029586 k( 107) = ( -0.2282708 0.2282708 0.2282708), wk = 0.0029586 k( 108) = ( -0.2219299 0.2219299 0.2219299), wk = 0.0029586 k( 109) = ( -0.2155891 0.2155891 0.2155891), wk = 0.0029586 k( 110) = ( -0.2092482 0.2092482 0.2092482), wk = 0.0029586 k( 111) = ( -0.2029073 0.2029073 0.2029073), wk = 0.0029586 k( 112) = ( -0.1965665 0.1965665 0.1965665), wk = 0.0029586 k( 113) = ( -0.1902256 0.1902256 0.1902256), wk = 0.0029586 k( 114) = ( -0.1838848 0.1838848 0.1838848), wk = 0.0029586 k( 115) = ( -0.1775439 0.1775439 0.1775439), wk = 0.0029586 k( 116) = ( -0.1712031 0.1712031 0.1712031), wk = 0.0029586 k( 117) = ( -0.1648622 0.1648622 0.1648622), wk = 0.0029586 k( 118) = ( -0.1585214 0.1585214 0.1585214), wk = 0.0029586 k( 119) = ( -0.1521805 0.1521805 0.1521805), wk = 0.0029586 k( 120) = ( -0.1458397 0.1458397 0.1458397), wk = 0.0029586 k( 121) = ( -0.1394988 0.1394988 0.1394988), wk = 0.0029586 k( 122) = ( -0.1331579 0.1331579 0.1331579), wk = 0.0029586 k( 123) = ( -0.1268171 0.1268171 0.1268171), wk = 0.0029586 k( 124) = ( -0.1204762 0.1204762 0.1204762), wk = 0.0029586 k( 125) = ( -0.1141354 0.1141354 0.1141354), wk = 0.0029586 k( 126) = ( -0.1077945 0.1077945 0.1077945), wk = 0.0029586 k( 127) = ( -0.1014537 0.1014537 0.1014537), wk = 0.0029586 k( 128) = ( -0.0951128 0.0951128 0.0951128), wk = 0.0029586 k( 129) = ( -0.0887720 0.0887720 0.0887720), wk = 0.0029586 k( 130) = ( -0.0824311 0.0824311 0.0824311), wk = 0.0029586 k( 131) = ( -0.0760903 0.0760903 0.0760903), wk = 0.0029586 k( 132) = ( -0.0697494 0.0697494 0.0697494), wk = 0.0029586 k( 133) = ( -0.0634085 0.0634085 0.0634085), wk = 0.0029586 k( 134) = ( -0.0570677 0.0570677 0.0570677), wk = 0.0029586 k( 135) = ( -0.0507268 0.0507268 0.0507268), wk = 0.0029586 k( 136) = ( -0.0443860 0.0443860 0.0443860), wk = 0.0029586 k( 137) = ( -0.0380451 0.0380451 0.0380451), wk = 0.0029586 k( 138) = ( -0.0317043 0.0317043 0.0317043), wk = 0.0029586 k( 139) = ( -0.0253634 0.0253634 0.0253634), wk = 0.0029586 k( 140) = ( -0.0190226 0.0190226 0.0190226), wk = 0.0029586 k( 141) = ( -0.0126817 0.0126817 0.0126817), wk = 0.0029586 k( 142) = ( -0.0063409 0.0063408 0.0063408), wk = 0.0029586 k( 143) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 144) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0029586 k( 145) = ( 0.0208333 0.0208333 -0.0208333), wk = 0.0029586 k( 146) = ( 0.0416667 0.0416667 -0.0416667), wk = 0.0029586 k( 147) = ( 0.0625000 0.0625000 -0.0625000), wk = 0.0029586 k( 148) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0029586 k( 149) = ( 0.1041667 0.1041667 -0.1041667), wk = 0.0029586 k( 150) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0029586 k( 151) = ( 0.1458333 0.1458333 -0.1458333), wk = 0.0029586 k( 152) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0029586 k( 153) = ( 0.1875000 0.1875000 -0.1875000), wk = 0.0029586 k( 154) = ( 0.2083333 0.2083333 -0.2083333), wk = 0.0029586 k( 155) = ( 0.2291667 0.2291667 -0.2291667), wk = 0.0029586 k( 156) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0029586 k( 157) = ( 0.2708333 0.2708333 -0.2708333), wk = 0.0029586 k( 158) = ( 0.2916667 0.2916667 -0.2916667), wk = 0.0029586 k( 159) = ( 0.3125000 0.3125000 -0.3125000), wk = 0.0029586 k( 160) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0029586 k( 161) = ( 0.3541667 0.3541667 -0.3541667), wk = 0.0029586 k( 162) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0029586 k( 163) = ( 0.3958333 0.3958333 -0.3958333), wk = 0.0029586 k( 164) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0029586 k( 165) = ( 0.4375000 0.4375000 -0.4375000), wk = 0.0029586 k( 166) = ( 0.4583333 0.4583333 -0.4583333), wk = 0.0029586 k( 167) = ( 0.4791667 0.4791667 -0.4791667), wk = 0.0029586 k( 168) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029586 k( 169) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029586 k( 170) = ( 0.4936849 0.5063151 -0.4936849), wk = 0.0029586 k( 171) = ( 0.4873698 0.5126302 -0.4873698), wk = 0.0029586 k( 172) = ( 0.4810547 0.5189453 -0.4810547), wk = 0.0029586 k( 173) = ( 0.4747396 0.5252604 -0.4747396), wk = 0.0029586 k( 174) = ( 0.4684245 0.5315754 -0.4684245), wk = 0.0029586 k( 175) = ( 0.4621095 0.5378905 -0.4621095), wk = 0.0029586 k( 176) = ( 0.4557944 0.5442056 -0.4557944), wk = 0.0029586 k( 177) = ( 0.4494793 0.5505207 -0.4494793), wk = 0.0029586 k( 178) = ( 0.4431642 0.5568358 -0.4431642), wk = 0.0029586 k( 179) = ( 0.4368491 0.5631509 -0.4368491), wk = 0.0029586 k( 180) = ( 0.4305340 0.5694660 -0.4305340), wk = 0.0029586 k( 181) = ( 0.4242189 0.5757811 -0.4242189), wk = 0.0029586 k( 182) = ( 0.4179038 0.5820962 -0.4179038), wk = 0.0029586 k( 183) = ( 0.4115887 0.5884113 -0.4115887), wk = 0.0029586 k( 184) = ( 0.4052736 0.5947263 -0.4052737), wk = 0.0029586 k( 185) = ( 0.3989586 0.6010414 -0.3989586), wk = 0.0029586 k( 186) = ( 0.3926435 0.6073565 -0.3926435), wk = 0.0029586 k( 187) = ( 0.3863284 0.6136716 -0.3863284), wk = 0.0029586 k( 188) = ( 0.3800133 0.6199867 -0.3800133), wk = 0.0029586 k( 189) = ( 0.3736982 0.6263018 -0.3736982), wk = 0.0029586 k( 190) = ( 0.3673831 0.6326169 -0.3673831), wk = 0.0029586 k( 191) = ( 0.3610680 0.6389320 -0.3610680), wk = 0.0029586 k( 192) = ( 0.3547529 0.6452471 -0.3547529), wk = 0.0029586 k( 193) = ( 0.3484378 0.6515622 -0.3484378), wk = 0.0029586 k( 194) = ( 0.3421227 0.6578772 -0.3421227), wk = 0.0029586 k( 195) = ( 0.3358077 0.6641923 -0.3358077), wk = 0.0029586 k( 196) = ( 0.3294926 0.6705074 -0.3294926), wk = 0.0029586 k( 197) = ( 0.3231775 0.6768225 -0.3231775), wk = 0.0029586 k( 198) = ( 0.3168624 0.6831376 -0.3168624), wk = 0.0029586 k( 199) = ( 0.3105473 0.6894527 -0.3105473), wk = 0.0029586 k( 200) = ( 0.3042322 0.6957678 -0.3042322), wk = 0.0029586 k( 201) = ( 0.2979171 0.7020829 -0.2979171), wk = 0.0029586 k( 202) = ( 0.2916020 0.7083980 -0.2916020), wk = 0.0029586 k( 203) = ( 0.2852869 0.7147131 -0.2852869), wk = 0.0029586 k( 204) = ( 0.2789719 0.7210282 -0.2789719), wk = 0.0029586 k( 205) = ( 0.2726568 0.7273432 -0.2726567), wk = 0.0029586 k( 206) = ( 0.2726568 0.7273432 -0.2726567), wk = 0.0029586 k( 207) = ( 0.2516832 0.7098553 -0.2516832), wk = 0.0029586 k( 208) = ( 0.2307096 0.6923674 -0.2307096), wk = 0.0029586 k( 209) = ( 0.2097360 0.6748794 -0.2097360), wk = 0.0029586 k( 210) = ( 0.1887624 0.6573915 -0.1887624), wk = 0.0029586 k( 211) = ( 0.1677888 0.6399035 -0.1677888), wk = 0.0029586 k( 212) = ( 0.1468152 0.6224156 -0.1468152), wk = 0.0029586 k( 213) = ( 0.1258416 0.6049276 -0.1258416), wk = 0.0029586 k( 214) = ( 0.1048680 0.5874397 -0.1048680), wk = 0.0029586 k( 215) = ( 0.0838944 0.5699518 -0.0838944), wk = 0.0029586 k( 216) = ( 0.0629208 0.5524638 -0.0629208), wk = 0.0029586 k( 217) = ( 0.0419472 0.5349759 -0.0419472), wk = 0.0029586 k( 218) = ( 0.0209736 0.5174879 -0.0209736), wk = 0.0029586 k( 219) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029586 k( 220) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0029586 k( 221) = ( 0.0064103 0.4935897 0.0064103), wk = 0.0029586 k( 222) = ( 0.0128205 0.4871795 0.0128205), wk = 0.0029586 k( 223) = ( 0.0192308 0.4807692 0.0192308), wk = 0.0029586 k( 224) = ( 0.0256410 0.4743590 0.0256410), wk = 0.0029586 k( 225) = ( 0.0320513 0.4679487 0.0320513), wk = 0.0029586 k( 226) = ( 0.0384615 0.4615385 0.0384615), wk = 0.0029586 k( 227) = ( 0.0448718 0.4551282 0.0448718), wk = 0.0029586 k( 228) = ( 0.0512821 0.4487179 0.0512821), wk = 0.0029586 k( 229) = ( 0.0576923 0.4423077 0.0576923), wk = 0.0029586 k( 230) = ( 0.0641026 0.4358974 0.0641026), wk = 0.0029586 k( 231) = ( 0.0705128 0.4294872 0.0705128), wk = 0.0029586 k( 232) = ( 0.0769231 0.4230769 0.0769231), wk = 0.0029586 k( 233) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0029586 k( 234) = ( 0.0897436 0.4102564 0.0897436), wk = 0.0029586 k( 235) = ( 0.0961538 0.4038462 0.0961538), wk = 0.0029586 k( 236) = ( 0.1025641 0.3974359 0.1025641), wk = 0.0029586 k( 237) = ( 0.1089744 0.3910256 0.1089744), wk = 0.0029586 k( 238) = ( 0.1153846 0.3846154 0.1153846), wk = 0.0029586 k( 239) = ( 0.1217949 0.3782051 0.1217949), wk = 0.0029586 k( 240) = ( 0.1282051 0.3717949 0.1282051), wk = 0.0029586 k( 241) = ( 0.1346154 0.3653846 0.1346154), wk = 0.0029586 k( 242) = ( 0.1410256 0.3589744 0.1410256), wk = 0.0029586 k( 243) = ( 0.1474359 0.3525641 0.1474359), wk = 0.0029586 k( 244) = ( 0.1538461 0.3461538 0.1538461), wk = 0.0029586 k( 245) = ( 0.1602564 0.3397436 0.1602564), wk = 0.0029586 k( 246) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0029586 k( 247) = ( 0.1730769 0.3269231 0.1730769), wk = 0.0029586 k( 248) = ( 0.1794872 0.3205128 0.1794872), wk = 0.0029586 k( 249) = ( 0.1858974 0.3141026 0.1858974), wk = 0.0029586 k( 250) = ( 0.1923077 0.3076923 0.1923077), wk = 0.0029586 k( 251) = ( 0.1987180 0.3012821 0.1987180), wk = 0.0029586 k( 252) = ( 0.2051282 0.2948718 0.2051282), wk = 0.0029586 k( 253) = ( 0.2115385 0.2884615 0.2115385), wk = 0.0029586 k( 254) = ( 0.2179487 0.2820513 0.2179487), wk = 0.0029586 k( 255) = ( 0.2243590 0.2756410 0.2243590), wk = 0.0029586 k( 256) = ( 0.2307692 0.2692308 0.2307692), wk = 0.0029586 k( 257) = ( 0.2371795 0.2628205 0.2371795), wk = 0.0029586 k( 258) = ( 0.2435897 0.2564103 0.2435897), wk = 0.0029586 k( 259) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029586 k( 260) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029586 k( 261) = ( 0.2692308 0.2692308 0.2272836), wk = 0.0029586 k( 262) = ( 0.2884615 0.2884615 0.2045671), wk = 0.0029586 k( 263) = ( 0.3076923 0.3076923 0.1818507), wk = 0.0029586 k( 264) = ( 0.3269231 0.3269231 0.1591343), wk = 0.0029586 k( 265) = ( 0.3461538 0.3461538 0.1364179), wk = 0.0029586 k( 266) = ( 0.3653846 0.3653846 0.1137015), wk = 0.0029586 k( 267) = ( 0.3846154 0.3846154 0.0909850), wk = 0.0029586 k( 268) = ( 0.4038462 0.4038462 0.0682686), wk = 0.0029586 k( 269) = ( 0.4230769 0.4230769 0.0455522), wk = 0.0029586 k( 270) = ( 0.4423077 0.4423077 0.0228358), wk = 0.0029586 k( 271) = ( 0.4615385 0.4615385 0.0001193), wk = 0.0029586 k( 272) = ( 0.4807692 0.4807692 -0.0225971), wk = 0.0029586 k( 273) = ( 0.5000000 0.5000000 -0.0453135), wk = 0.0029586 k( 274) = ( 0.5000000 0.5000000 -0.0453135), wk = 0.0029586 k( 275) = ( 0.5000000 0.5000000 -0.0542289), wk = 0.0029586 k( 276) = ( 0.5000000 0.5000000 -0.0631443), wk = 0.0029586 k( 277) = ( 0.5000000 0.5000000 -0.0720598), wk = 0.0029586 k( 278) = ( 0.5000000 0.5000000 -0.0809752), wk = 0.0029586 k( 279) = ( 0.5000000 0.5000000 -0.0898906), wk = 0.0029586 k( 280) = ( 0.5000000 0.5000000 -0.0988060), wk = 0.0029586 k( 281) = ( 0.5000000 0.5000000 -0.1077215), wk = 0.0029586 k( 282) = ( 0.5000000 0.5000000 -0.1166369), wk = 0.0029586 k( 283) = ( 0.5000000 0.5000000 -0.1255523), wk = 0.0029586 k( 284) = ( 0.5000000 0.5000000 -0.1344677), wk = 0.0029586 k( 285) = ( 0.5000000 0.5000000 -0.1433831), wk = 0.0029586 k( 286) = ( 0.5000000 0.5000000 -0.1522986), wk = 0.0029586 k( 287) = ( 0.5000000 0.5000000 -0.1612140), wk = 0.0029586 k( 288) = ( 0.5000000 0.5000000 -0.1701294), wk = 0.0029586 k( 289) = ( 0.5000000 0.5000000 -0.1790448), wk = 0.0029586 k( 290) = ( 0.5000000 0.5000000 -0.1879602), wk = 0.0029586 k( 291) = ( 0.5000000 0.5000000 -0.1968757), wk = 0.0029586 k( 292) = ( 0.5000000 0.5000000 -0.2057911), wk = 0.0029586 k( 293) = ( 0.5000000 0.5000000 -0.2147065), wk = 0.0029586 k( 294) = ( 0.5000000 0.5000000 -0.2236219), wk = 0.0029586 k( 295) = ( 0.5000000 0.5000000 -0.2325374), wk = 0.0029586 k( 296) = ( 0.5000000 0.5000000 -0.2414528), wk = 0.0029586 k( 297) = ( 0.5000000 0.5000000 -0.2503682), wk = 0.0029586 k( 298) = ( 0.5000000 0.5000000 -0.2592836), wk = 0.0029586 k( 299) = ( 0.5000000 0.5000000 -0.2681990), wk = 0.0029586 k( 300) = ( 0.5000000 0.5000000 -0.2771145), wk = 0.0029586 k( 301) = ( 0.5000000 0.5000000 -0.2860299), wk = 0.0029586 k( 302) = ( 0.5000000 0.5000000 -0.2949453), wk = 0.0029586 k( 303) = ( 0.5000000 0.5000000 -0.3038607), wk = 0.0029586 k( 304) = ( 0.5000000 0.5000000 -0.3127761), wk = 0.0029586 k( 305) = ( 0.5000000 0.5000000 -0.3216916), wk = 0.0029586 k( 306) = ( 0.5000000 0.5000000 -0.3306070), wk = 0.0029586 k( 307) = ( 0.5000000 0.5000000 -0.3395224), wk = 0.0029586 k( 308) = ( 0.5000000 0.5000000 -0.3484378), wk = 0.0029586 k( 309) = ( 0.5000000 0.5000000 -0.3573533), wk = 0.0029586 k( 310) = ( 0.5000000 0.5000000 -0.3662687), wk = 0.0029586 k( 311) = ( 0.5000000 0.5000000 -0.3751841), wk = 0.0029586 k( 312) = ( 0.5000000 0.5000000 -0.3840995), wk = 0.0029586 k( 313) = ( 0.5000000 0.5000000 -0.3930149), wk = 0.0029586 k( 314) = ( 0.5000000 0.5000000 -0.4019304), wk = 0.0029586 k( 315) = ( 0.5000000 0.5000000 -0.4108458), wk = 0.0029586 k( 316) = ( 0.5000000 0.5000000 -0.4197612), wk = 0.0029586 k( 317) = ( 0.5000000 0.5000000 -0.4286766), wk = 0.0029586 k( 318) = ( 0.5000000 0.5000000 -0.4375920), wk = 0.0029586 k( 319) = ( 0.5000000 0.5000000 -0.4465075), wk = 0.0029586 k( 320) = ( 0.5000000 0.5000000 -0.4554229), wk = 0.0029586 k( 321) = ( 0.5000000 0.5000000 -0.4643383), wk = 0.0029586 k( 322) = ( 0.5000000 0.5000000 -0.4732537), wk = 0.0029586 k( 323) = ( 0.5000000 0.5000000 -0.4821692), wk = 0.0029586 k( 324) = ( 0.5000000 0.5000000 -0.4910846), wk = 0.0029586 k( 325) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0029586 k( 326) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0029586 k( 327) = ( 0.0208333 0.0208333 0.4791667), wk = 0.0029586 k( 328) = ( 0.0416667 0.0416667 0.4583333), wk = 0.0029586 k( 329) = ( 0.0625000 0.0625000 0.4375000), wk = 0.0029586 k( 330) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0029586 k( 331) = ( 0.1041667 0.1041667 0.3958333), wk = 0.0029586 k( 332) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0029586 k( 333) = ( 0.1458333 0.1458333 0.3541667), wk = 0.0029586 k( 334) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0029586 k( 335) = ( 0.1875000 0.1875000 0.3125000), wk = 0.0029586 k( 336) = ( 0.2083333 0.2083333 0.2916667), wk = 0.0029586 k( 337) = ( 0.2291667 0.2291667 0.2708333), wk = 0.0029586 k( 338) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0029586 Dense grid: 51825 G-vectors FFT dimensions: ( 72, 72, 72) Smooth grid: 28969 G-vectors FFT dimensions: ( 60, 60, 60) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.15 Mb ( 214, 46) NL pseudopotentials 0.33 Mb ( 107, 204) Each V/rho on FFT grid 0.16 Mb ( 10368) Each G-vector array 0.01 Mb ( 1440) G-vector shells 0.01 Mb ( 675) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.60 Mb ( 214, 184) Each subspace H/S matrix 0.03 Mb ( 46, 46) Each matrix 0.29 Mb ( 204, 2, 46) Check: negative/imaginary core charge= -0.000002 0.000000 The potential is recalculated from file : ./YSi2.save/charge-density.dat Starting wfc are 84 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 4.0 secs Computing kpt #: 2 total cpu time spent up to now is 5.3 secs Computing kpt #: 3 total cpu time spent up to now is 6.3 secs Computing kpt #: 4 total cpu time spent up to now is 7.1 secs Computing kpt #: 5 total cpu time spent up to now is 7.9 secs Computing kpt #: 6 total cpu time spent up to now is 8.6 secs Computing kpt #: 7 total cpu time spent up to now is 9.4 secs Computing kpt #: 8 total cpu time spent up to now is 10.1 secs Computing kpt #: 9 total cpu time spent up to now is 10.9 secs Computing kpt #: 10 total cpu time spent up to now is 11.7 secs Computing kpt #: 11 total cpu time spent up to now is 12.7 secs Computing kpt #: 12 total cpu time spent up to now is 14.2 secs Computing kpt #: 13 total cpu time spent up to now is 14.9 secs Computing kpt #: 14 total cpu time spent up to now is 15.5 secs Computing kpt #: 15 total cpu time spent up to now is 16.1 secs Computing kpt #: 16 total cpu time spent up to now is 16.6 secs Computing kpt #: 17 total cpu time spent up to now is 17.2 secs Computing kpt #: 18 total cpu time spent up to now is 17.8 secs Computing kpt #: 19 total cpu time spent up to now is 18.4 secs Computing kpt #: 20 total cpu time spent up to now is 19.1 secs Computing kpt #: 21 total cpu time spent up to now is 19.8 secs Computing kpt #: 22 total cpu time spent up to now is 20.5 secs Computing kpt #: 23 total cpu time spent up to now is 21.2 secs Computing kpt #: 24 total cpu time spent up to now is 21.9 secs Computing kpt #: 25 total cpu time spent up to now is 22.6 secs Computing kpt #: 26 total cpu time spent up to now is 23.3 secs Computing kpt #: 27 total cpu time spent up to now is 23.9 secs Computing kpt #: 28 total cpu time spent up to now is 24.6 secs Computing kpt #: 29 total cpu time spent up to now is 25.3 secs Computing kpt #: 30 total cpu time spent up to now is 25.9 secs Computing kpt #: 31 total cpu time spent up to now is 26.6 secs Computing kpt #: 32 total cpu time spent up to now is 27.3 secs Computing kpt #: 33 total cpu time spent up to now is 28.1 secs Computing kpt #: 34 total cpu time spent up to now is 28.8 secs Computing kpt #: 35 total cpu time spent up to now is 29.5 secs Computing kpt #: 36 total cpu time spent up to now is 30.2 secs Computing kpt #: 37 total cpu time spent up to now is 31.0 secs Computing kpt #: 38 total cpu time spent up to now is 31.7 secs Computing kpt #: 39 total cpu time spent up to now is 32.4 secs Computing kpt #: 40 total cpu time spent up to now is 33.2 secs Computing kpt #: 41 total cpu time spent up to now is 34.0 secs Computing kpt #: 42 total cpu time spent up to now is 34.8 secs Computing kpt #: 43 total cpu time spent up to now is 35.5 secs Computing kpt #: 44 total cpu time spent up to now is 36.1 secs Computing kpt #: 45 total cpu time spent up to now is 36.8 secs Computing kpt #: 46 total cpu time spent up to now is 37.5 secs Computing kpt #: 47 total cpu time spent up to now is 38.2 secs Computing kpt #: 48 total cpu time spent up to now is 38.9 secs Computing kpt #: 49 total cpu time spent up to now is 39.6 secs Computing kpt #: 50 total cpu time spent up to now is 40.4 secs Computing kpt #: 51 total cpu time spent up to now is 41.2 secs Computing kpt #: 52 total cpu time spent up to now is 42.0 secs Computing kpt #: 53 total cpu time spent up to now is 42.8 secs Computing kpt #: 54 total cpu time spent up to now is 43.7 secs Computing kpt #: 55 total cpu time spent up to now is 44.5 secs Computing kpt #: 56 total cpu time spent up to now is 45.3 secs Computing kpt #: 57 total cpu time spent up to now is 46.0 secs Computing kpt #: 58 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 47.7 secs Computing kpt #: 59 total cpu time spent up to now is 48.9 secs Computing kpt #: 60 total cpu time spent up to now is 50.4 secs Computing kpt #: 61 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 52.1 secs Computing kpt #: 62 total cpu time spent up to now is 53.3 secs Computing kpt #: 63 total cpu time spent up to now is 54.7 secs Computing kpt #: 64 total cpu time spent up to now is 55.7 secs Computing kpt #: 65 total cpu time spent up to now is 56.7 secs Computing kpt #: 66 total cpu time spent up to now is 57.9 secs Computing kpt #: 67 total cpu time spent up to now is 59.2 secs Computing kpt #: 68 total cpu time spent up to now is 60.2 secs Computing kpt #: 69 total cpu time spent up to now is 61.1 secs Computing kpt #: 70 total cpu time spent up to now is 61.9 secs Computing kpt #: 71 total cpu time spent up to now is 62.8 secs Computing kpt #: 72 total cpu time spent up to now is 63.6 secs Computing kpt #: 73 total cpu time spent up to now is 64.4 secs Computing kpt #: 74 total cpu time spent up to now is 65.2 secs Computing kpt #: 75 total cpu time spent up to now is 66.0 secs Computing kpt #: 76 total cpu time spent up to now is 66.8 secs Computing kpt #: 77 total cpu time spent up to now is 67.5 secs Computing kpt #: 78 total cpu time spent up to now is 68.3 secs Computing kpt #: 79 total cpu time spent up to now is 69.0 secs Computing kpt #: 80 total cpu time spent up to now is 69.8 secs Computing kpt #: 81 total cpu time spent up to now is 70.5 secs Computing kpt #: 82 total cpu time spent up to now is 71.3 secs Computing kpt #: 83 total cpu time spent up to now is 72.0 secs Computing kpt #: 84 total cpu time spent up to now is 72.8 secs Computing kpt #: 85 total cpu time spent up to now is 73.5 secs Computing kpt #: 86 total cpu time spent up to now is 74.2 secs Computing kpt #: 87 total cpu time spent up to now is 75.0 secs Computing kpt #: 88 total cpu time spent up to now is 75.6 secs Computing kpt #: 89 total cpu time spent up to now is 76.2 secs Computing kpt #: 90 total cpu time spent up to now is 76.8 secs Computing kpt #: 91 total cpu time spent up to now is 77.5 secs Computing kpt #: 92 total cpu time spent up to now is 78.1 secs Computing kpt #: 93 total cpu time spent up to now is 78.7 secs Computing kpt #: 94 total cpu time spent up to now is 79.3 secs Computing kpt #: 95 total cpu time spent up to now is 79.9 secs Computing kpt #: 96 total cpu time spent up to now is 80.5 secs Computing kpt #: 97 total cpu time spent up to now is 81.1 secs Computing kpt #: 98 total cpu time spent up to now is 81.7 secs Computing kpt #: 99 total cpu time spent up to now is 82.3 secs Computing kpt #: 100 total cpu time spent up to now is 82.9 secs Computing kpt #: 101 total cpu time spent up to now is 83.5 secs Computing kpt #: 102 total cpu time spent up to now is 84.9 secs Computing kpt #: 103 total cpu time spent up to now is 85.5 secs Computing kpt #: 104 total cpu time spent up to now is 86.1 secs Computing kpt #: 105 total cpu time spent up to now is 86.6 secs Computing kpt #: 106 total cpu time spent up to now is 87.2 secs Computing kpt #: 107 total cpu time spent up to now is 87.8 secs Computing kpt #: 108 total cpu time spent up to now is 88.3 secs Computing kpt #: 109 total cpu time spent up to now is 88.9 secs Computing kpt #: 110 total cpu time spent up to now is 89.4 secs Computing kpt #: 111 total cpu time spent up to now is 90.0 secs Computing kpt #: 112 total cpu time spent up to now is 90.5 secs Computing kpt #: 113 total cpu time spent up to now is 91.1 secs Computing kpt #: 114 total cpu time spent up to now is 91.7 secs Computing kpt #: 115 total cpu time spent up to now is 92.2 secs Computing kpt #: 116 total cpu time spent up to now is 92.8 secs Computing kpt #: 117 total cpu time spent up to now is 93.4 secs Computing kpt #: 118 total cpu time spent up to now is 94.0 secs Computing kpt #: 119 total cpu time spent up to now is 94.6 secs Computing kpt #: 120 total cpu time spent up to now is 95.2 secs Computing kpt #: 121 total cpu time spent up to now is 95.8 secs Computing kpt #: 122 total cpu time spent up to now is 96.5 secs Computing kpt #: 123 total cpu time spent up to now is 97.1 secs Computing kpt #: 124 total cpu time spent up to now is 97.8 secs Computing kpt #: 125 total cpu time spent up to now is 98.4 secs Computing kpt #: 126 total cpu time spent up to now is 99.1 secs Computing kpt #: 127 total cpu time spent up to now is 99.7 secs Computing kpt #: 128 total cpu time spent up to now is 100.4 secs Computing kpt #: 129 total cpu time spent up to now is 101.0 secs Computing kpt #: 130 total cpu time spent up to now is 101.6 secs Computing kpt #: 131 total cpu time spent up to now is 102.2 secs Computing kpt #: 132 total cpu time spent up to now is 102.9 secs Computing kpt #: 133 total cpu time spent up to now is 103.5 secs Computing kpt #: 134 total cpu time spent up to now is 104.1 secs Computing kpt #: 135 total cpu time spent up to now is 104.8 secs Computing kpt #: 136 total cpu time spent up to now is 105.5 secs Computing kpt #: 137 total cpu time spent up to now is 106.3 secs Computing kpt #: 138 total cpu time spent up to now is 107.1 secs Computing kpt #: 139 total cpu time spent up to now is 108.0 secs Computing kpt #: 140 total cpu time spent up to now is 109.0 secs Computing kpt #: 141 total cpu time spent up to now is 110.0 secs Computing kpt #: 142 total cpu time spent up to now is 111.2 secs Computing kpt #: 143 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 113.0 secs Computing kpt #: 144 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 114.7 secs Computing kpt #: 145 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 116.4 secs Computing kpt #: 146 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 118.1 secs Computing kpt #: 147 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 120.3 secs Computing kpt #: 148 total cpu time spent up to now is 121.5 secs Computing kpt #: 149 total cpu time spent up to now is 122.3 secs Computing kpt #: 150 total cpu time spent up to now is 123.3 secs Computing kpt #: 151 total cpu time spent up to now is 124.2 secs Computing kpt #: 152 total cpu time spent up to now is 124.9 secs Computing kpt #: 153 total cpu time spent up to now is 125.5 secs Computing kpt #: 154 total cpu time spent up to now is 126.1 secs Computing kpt #: 155 total cpu time spent up to now is 126.7 secs Computing kpt #: 156 total cpu time spent up to now is 127.3 secs Computing kpt #: 157 total cpu time spent up to now is 127.9 secs Computing kpt #: 158 total cpu time spent up to now is 128.5 secs Computing kpt #: 159 total cpu time spent up to now is 129.1 secs Computing kpt #: 160 total cpu time spent up to now is 129.7 secs Computing kpt #: 161 total cpu time spent up to now is 130.3 secs Computing kpt #: 162 total cpu time spent up to now is 130.9 secs Computing kpt #: 163 total cpu time spent up to now is 131.6 secs Computing kpt #: 164 total cpu time spent up to now is 132.2 secs Computing kpt #: 165 total cpu time spent up to now is 132.8 secs Computing kpt #: 166 total cpu time spent up to now is 133.5 secs Computing kpt #: 167 total cpu time spent up to now is 134.1 secs Computing kpt #: 168 total cpu time spent up to now is 134.8 secs Computing kpt #: 169 total cpu time spent up to now is 135.5 secs Computing kpt #: 170 total cpu time spent up to now is 136.2 secs Computing kpt #: 171 total cpu time spent up to now is 136.9 secs Computing kpt #: 172 total cpu time spent up to now is 137.5 secs Computing kpt #: 173 total cpu time spent up to now is 138.1 secs Computing kpt #: 174 total cpu time spent up to now is 138.8 secs Computing kpt #: 175 total cpu time spent up to now is 139.4 secs Computing kpt #: 176 total cpu time spent up to now is 140.0 secs Computing kpt #: 177 total cpu time spent up to now is 140.6 secs Computing kpt #: 178 total cpu time spent up to now is 141.3 secs Computing kpt #: 179 total cpu time spent up to now is 141.9 secs Computing kpt #: 180 total cpu time spent up to now is 142.6 secs Computing kpt #: 181 total cpu time spent up to now is 143.2 secs Computing kpt #: 182 total cpu time spent up to now is 143.9 secs Computing kpt #: 183 total cpu time spent up to now is 144.5 secs Computing kpt #: 184 total cpu time spent up to now is 145.2 secs Computing kpt #: 185 total cpu time spent up to now is 145.8 secs Computing kpt #: 186 total cpu time spent up to now is 146.6 secs Computing kpt #: 187 total cpu time spent up to now is 147.4 secs Computing kpt #: 188 total cpu time spent up to now is 148.2 secs Computing kpt #: 189 total cpu time spent up to now is 149.0 secs Computing kpt #: 190 total cpu time spent up to now is 149.8 secs Computing kpt #: 191 total cpu time spent up to now is 151.0 secs Computing kpt #: 192 total cpu time spent up to now is 151.7 secs Computing kpt #: 193 total cpu time spent up to now is 152.5 secs Computing kpt #: 194 total cpu time spent up to now is 153.1 secs Computing kpt #: 195 total cpu time spent up to now is 153.7 secs Computing kpt #: 196 total cpu time spent up to now is 154.4 secs Computing kpt #: 197 total cpu time spent up to now is 155.0 secs Computing kpt #: 198 total cpu time spent up to now is 155.6 secs Computing kpt #: 199 total cpu time spent up to now is 156.3 secs Computing kpt #: 200 total cpu time spent up to now is 156.9 secs Computing kpt #: 201 total cpu time spent up to now is 157.6 secs Computing kpt #: 202 total cpu time spent up to now is 158.4 secs Computing kpt #: 203 total cpu time spent up to now is 159.1 secs Computing kpt #: 204 total cpu time spent up to now is 159.8 secs Computing kpt #: 205 total cpu time spent up to now is 160.4 secs Computing kpt #: 206 total cpu time spent up to now is 161.0 secs Computing kpt #: 207 total cpu time spent up to now is 161.6 secs Computing kpt #: 208 total cpu time spent up to now is 162.2 secs Computing kpt #: 209 total cpu time spent up to now is 162.8 secs Computing kpt #: 210 total cpu time spent up to now is 163.5 secs Computing kpt #: 211 total cpu time spent up to now is 164.2 secs Computing kpt #: 212 total cpu time spent up to now is 164.9 secs Computing kpt #: 213 total cpu time spent up to now is 165.7 secs Computing kpt #: 214 total cpu time spent up to now is 166.5 secs Computing kpt #: 215 total cpu time spent up to now is 167.3 secs Computing kpt #: 216 total cpu time spent up to now is 168.1 secs Computing kpt #: 217 total cpu time spent up to now is 169.3 secs Computing kpt #: 218 total cpu time spent up to now is 170.3 secs Computing kpt #: 219 total cpu time spent up to now is 171.0 secs Computing kpt #: 220 total cpu time spent up to now is 171.8 secs Computing kpt #: 221 total cpu time spent up to now is 172.6 secs Computing kpt #: 222 total cpu time spent up to now is 173.3 secs Computing kpt #: 223 total cpu time spent up to now is 174.1 secs Computing kpt #: 224 total cpu time spent up to now is 175.2 secs Computing kpt #: 225 total cpu time spent up to now is 176.2 secs Computing kpt #: 226 total cpu time spent up to now is 176.9 secs Computing kpt #: 227 total cpu time spent up to now is 177.6 secs Computing kpt #: 228 total cpu time spent up to now is 178.3 secs Computing kpt #: 229 total cpu time spent up to now is 178.9 secs Computing kpt #: 230 total cpu time spent up to now is 179.5 secs Computing kpt #: 231 total cpu time spent up to now is 180.2 secs Computing kpt #: 232 total cpu time spent up to now is 180.8 secs Computing kpt #: 233 total cpu time spent up to now is 181.7 secs Computing kpt #: 234 total cpu time spent up to now is 182.3 secs Computing kpt #: 235 total cpu time spent up to now is 183.0 secs Computing kpt #: 236 total cpu time spent up to now is 183.6 secs Computing kpt #: 237 total cpu time spent up to now is 184.2 secs Computing kpt #: 238 total cpu time spent up to now is 184.8 secs Computing kpt #: 239 total cpu time spent up to now is 185.5 secs Computing kpt #: 240 total cpu time spent up to now is 186.1 secs Computing kpt #: 241 total cpu time spent up to now is 186.7 secs Computing kpt #: 242 total cpu time spent up to now is 187.3 secs Computing kpt #: 243 total cpu time spent up to now is 188.0 secs Computing kpt #: 244 total cpu time spent up to now is 188.7 secs Computing kpt #: 245 total cpu time spent up to now is 189.4 secs Computing kpt #: 246 total cpu time spent up to now is 190.1 secs Computing kpt #: 247 total cpu time spent up to now is 190.9 secs Computing kpt #: 248 total cpu time spent up to now is 191.7 secs Computing kpt #: 249 total cpu time spent up to now is 192.5 secs Computing kpt #: 250 total cpu time spent up to now is 193.5 secs Computing kpt #: 251 total cpu time spent up to now is 195.0 secs Computing kpt #: 252 total cpu time spent up to now is 196.1 secs Computing kpt #: 253 total cpu time spent up to now is 197.1 secs Computing kpt #: 254 total cpu time spent up to now is 198.2 secs Computing kpt #: 255 total cpu time spent up to now is 199.3 secs Computing kpt #: 256 total cpu time spent up to now is 200.3 secs Computing kpt #: 257 total cpu time spent up to now is 201.7 secs Computing kpt #: 258 total cpu time spent up to now is 203.2 secs Computing kpt #: 259 total cpu time spent up to now is 204.5 secs Computing kpt #: 260 total cpu time spent up to now is 205.8 secs Computing kpt #: 261 total cpu time spent up to now is 207.4 secs Computing kpt #: 262 total cpu time spent up to now is 208.6 secs Computing kpt #: 263 total cpu time spent up to now is 209.7 secs Computing kpt #: 264 total cpu time spent up to now is 210.8 secs Computing kpt #: 265 total cpu time spent up to now is 211.9 secs Computing kpt #: 266 total cpu time spent up to now is 212.9 secs Computing kpt #: 267 total cpu time spent up to now is 213.9 secs Computing kpt #: 268 total cpu time spent up to now is 214.9 secs Computing kpt #: 269 total cpu time spent up to now is 215.9 secs Computing kpt #: 270 total cpu time spent up to now is 217.1 secs Computing kpt #: 271 total cpu time spent up to now is 218.4 secs Computing kpt #: 272 total cpu time spent up to now is 219.2 secs Computing kpt #: 273 total cpu time spent up to now is 220.5 secs Computing kpt #: 274 total cpu time spent up to now is 221.7 secs Computing kpt #: 275 total cpu time spent up to now is 222.7 secs Computing kpt #: 276 total cpu time spent up to now is 223.7 secs Computing kpt #: 277 total cpu time spent up to now is 224.7 secs Computing kpt #: 278 total cpu time spent up to now is 225.8 secs Computing kpt #: 279 total cpu time spent up to now is 227.0 secs Computing kpt #: 280 total cpu time spent up to now is 228.1 secs Computing kpt #: 281 total cpu time spent up to now is 229.1 secs Computing kpt #: 282 total cpu time spent up to now is 230.2 secs Computing kpt #: 283 total cpu time spent up to now is 231.2 secs Computing kpt #: 284 total cpu time spent up to now is 232.0 secs Computing kpt #: 285 total cpu time spent up to now is 232.8 secs Computing kpt #: 286 total cpu time spent up to now is 233.8 secs Computing kpt #: 287 total cpu time spent up to now is 234.8 secs Computing kpt #: 288 total cpu time spent up to now is 235.6 secs Computing kpt #: 289 total cpu time spent up to now is 236.4 secs Computing kpt #: 290 total cpu time spent up to now is 237.2 secs Computing kpt #: 291 total cpu time spent up to now is 238.2 secs Computing kpt #: 292 total cpu time spent up to now is 239.1 secs Computing kpt #: 293 total cpu time spent up to now is 239.8 secs Computing kpt #: 294 total cpu time spent up to now is 240.6 secs Computing kpt #: 295 total cpu time spent up to now is 241.4 secs Computing kpt #: 296 total cpu time spent up to now is 242.1 secs Computing kpt #: 297 total cpu time spent up to now is 242.9 secs Computing kpt #: 298 total cpu time spent up to now is 243.7 secs Computing kpt #: 299 total cpu time spent up to now is 244.5 secs Computing kpt #: 300 total cpu time spent up to now is 245.3 secs Computing kpt #: 301 total cpu time spent up to now is 246.1 secs Computing kpt #: 302 total cpu time spent up to now is 246.9 secs Computing kpt #: 303 total cpu time spent up to now is 247.7 secs Computing kpt #: 304 total cpu time spent up to now is 248.7 secs Computing kpt #: 305 total cpu time spent up to now is 250.4 secs Computing kpt #: 306 total cpu time spent up to now is 251.2 secs Computing kpt #: 307 total cpu time spent up to now is 251.8 secs Computing kpt #: 308 total cpu time spent up to now is 252.5 secs Computing kpt #: 309 total cpu time spent up to now is 253.1 secs Computing kpt #: 310 total cpu time spent up to now is 253.8 secs Computing kpt #: 311 total cpu time spent up to now is 254.5 secs Computing kpt #: 312 total cpu time spent up to now is 255.3 secs Computing kpt #: 313 total cpu time spent up to now is 256.1 secs Computing kpt #: 314 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 257.8 secs Computing kpt #: 315 total cpu time spent up to now is 258.6 secs Computing kpt #: 316 total cpu time spent up to now is 259.5 secs Computing kpt #: 317 total cpu time spent up to now is 260.9 secs Computing kpt #: 318 total cpu time spent up to now is 262.1 secs Computing kpt #: 319 total cpu time spent up to now is 263.1 secs Computing kpt #: 320 total cpu time spent up to now is 264.3 secs Computing kpt #: 321 total cpu time spent up to now is 265.5 secs Computing kpt #: 322 total cpu time spent up to now is 266.3 secs Computing kpt #: 323 total cpu time spent up to now is 267.0 secs Computing kpt #: 324 total cpu time spent up to now is 267.8 secs Computing kpt #: 325 total cpu time spent up to now is 268.4 secs Computing kpt #: 326 total cpu time spent up to now is 269.2 secs Computing kpt #: 327 total cpu time spent up to now is 270.0 secs Computing kpt #: 328 total cpu time spent up to now is 270.8 secs Computing kpt #: 329 total cpu time spent up to now is 271.9 secs Computing kpt #: 330 total cpu time spent up to now is 273.6 secs Computing kpt #: 331 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 275.4 secs Computing kpt #: 332 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 277.1 secs Computing kpt #: 333 total cpu time spent up to now is 278.6 secs Computing kpt #: 334 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 280.3 secs Computing kpt #: 335 total cpu time spent up to now is 281.9 secs Computing kpt #: 336 total cpu time spent up to now is 283.4 secs Computing kpt #: 337 total cpu time spent up to now is 284.8 secs Computing kpt #: 338 total cpu time spent up to now is 286.1 secs ethr = 2.63E-08, avg # of iterations = 34.0 total cpu time spent up to now is 286.1 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 3607 PWs) bands (ev): -30.8997 -30.8997 -30.8837 -30.8837 -11.9698 -11.9698 -11.8917 -11.8917 -10.6096 -10.6096 -10.4892 -10.4892 -10.4793 -10.4793 -10.4362 -10.4362 -0.8164 -0.8164 1.8430 1.8430 2.7073 2.7073 7.6906 7.6906 7.7189 7.7189 8.5748 8.5748 8.9207 8.9207 8.9636 8.9636 9.0167 9.0167 10.4775 10.4775 10.9102 10.9102 12.1160 12.1160 12.5929 12.5929 12.9416 12.9416 13.5958 13.5959 k = 0.0000 0.0000 0.0232 ( 3623 PWs) bands (ev): -30.8997 -30.8997 -30.8837 -30.8837 -11.9699 -11.9699 -11.8918 -11.8918 -10.6096 -10.6096 -10.4894 -10.4894 -10.4795 -10.4795 -10.4362 -10.4362 -0.8149 -0.8149 1.8435 1.8435 2.7082 2.7082 7.6826 7.6826 7.7108 7.7108 8.5733 8.5733 8.9187 8.9187 8.9611 8.9611 9.0275 9.0275 10.4807 10.4807 10.9182 10.9182 12.1134 12.1134 12.5939 12.5939 12.9305 12.9305 13.5809 13.5809 k = 0.0000 0.0000 0.0464 ( 3627 PWs) bands (ev): -30.8997 -30.8997 -30.8837 -30.8837 -11.9699 -11.9699 -11.8920 -11.8920 -10.6095 -10.6095 -10.4897 -10.4897 -10.4799 -10.4799 -10.4363 -10.4363 -0.8105 -0.8105 1.8447 1.8447 2.7111 2.7111 7.6587 7.6587 7.6872 7.6872 8.5685 8.5685 8.9123 8.9123 8.9540 8.9540 9.0593 9.0593 10.4903 10.4903 10.9420 10.9420 12.1058 12.1058 12.5960 12.5960 12.8980 12.8980 13.5339 13.5339 k = 0.0000 0.0000 0.0696 ( 3643 PWs) bands (ev): -30.8996 -30.8996 -30.8837 -30.8837 -11.9700 -11.9700 -11.8924 -11.8924 -10.6094 -10.6094 -10.4904 -10.4904 -10.4805 -10.4805 -10.4365 -10.4365 -0.8033 -0.8033 1.8468 1.8468 2.7158 2.7158 7.6201 7.6201 7.6503 7.6503 8.5600 8.5600 8.9013 8.9013 8.9432 8.9432 9.1100 9.1100 10.5062 10.5062 10.9804 10.9804 12.0935 12.0935 12.5960 12.5960 12.8457 12.8457 13.4751 13.4751 k = 0.0000 0.0000 0.0928 ( 3651 PWs) bands (ev): -30.8996 -30.8996 -30.8836 -30.8836 -11.9702 -11.9702 -11.8930 -11.8930 -10.6093 -10.6093 -10.4912 -10.4912 -10.4814 -10.4814 -10.4368 -10.4368 -0.7931 -0.7931 1.8497 1.8497 2.7224 2.7224 7.5689 7.5689 7.6020 7.6020 8.5466 8.5466 8.8863 8.8863 8.9298 8.9298 9.1769 9.1769 10.5282 10.5282 11.0318 11.0318 12.0771 12.0771 12.5889 12.5889 12.7770 12.7770 13.4211 13.4211 k = 0.0000 0.0000 0.1160 ( 3651 PWs) bands (ev): -30.8995 -30.8995 -30.8836 -30.8836 -11.9703 -11.9703 -11.8936 -11.8936 -10.6091 -10.6091 -10.4923 -10.4923 -10.4826 -10.4826 -10.4371 -10.4371 -0.7802 -0.7802 1.8535 1.8535 2.7307 2.7307 7.5078 7.5078 7.5438 7.5438 8.5272 8.5272 8.8687 8.8687 8.9144 8.9144 9.2567 9.2567 10.5560 10.5560 11.0938 11.0938 12.0576 12.0576 12.5687 12.5687 12.6965 12.6965 13.3843 13.3843 k = 0.0000 0.0000 0.1392 ( 3651 PWs) bands (ev): -30.8993 -30.8993 -30.8835 -30.8835 -11.9705 -11.9705 -11.8945 -11.8945 -10.6089 -10.6089 -10.4937 -10.4937 -10.4840 -10.4840 -10.4375 -10.4375 -0.7644 -0.7644 1.8581 1.8581 2.7405 2.7405 7.4396 7.4396 7.4772 7.4772 8.5003 8.5003 8.8504 8.8504 8.8975 8.8975 9.3470 9.3470 10.5894 10.5894 11.1634 11.1634 12.0356 12.0356 12.5307 12.5307 12.6095 12.6095 13.3728 13.3728 k = 0.0000 0.0000 0.1625 ( 3645 PWs) bands (ev): -30.8992 -30.8992 -30.8834 -30.8834 -11.9708 -11.9708 -11.8954 -11.8954 -10.6086 -10.6086 -10.4952 -10.4952 -10.4856 -10.4856 -10.4380 -10.4380 -0.7458 -0.7458 1.8637 1.8637 2.7518 2.7518 7.3664 7.3664 7.4036 7.4036 8.4650 8.4650 8.8334 8.8334 8.8792 8.8792 9.4455 9.4455 10.6281 10.6281 11.2365 11.2365 12.0120 12.0120 12.4742 12.4742 12.5219 12.5219 13.3888 13.3888 k = 0.0000 0.0000 0.1857 ( 3645 PWs) bands (ev): -30.8990 -30.8990 -30.8834 -30.8834 -11.9711 -11.9711 -11.8965 -11.8965 -10.6083 -10.6083 -10.4970 -10.4970 -10.4874 -10.4874 -10.4385 -10.4385 -0.7245 -0.7245 1.8701 1.8701 2.7644 2.7644 7.2897 7.2897 7.3246 7.3246 8.4209 8.4209 8.8189 8.8189 8.8598 8.8598 9.5506 9.5506 10.6718 10.6718 11.3076 11.3076 11.9878 11.9878 12.4030 12.4030 12.4403 12.4403 13.4301 13.4301 k = 0.0000 0.0000 0.2089 ( 3649 PWs) bands (ev): -30.8988 -30.8988 -30.8833 -30.8833 -11.9714 -11.9714 -11.8978 -11.8978 -10.6080 -10.6080 -10.4990 -10.4990 -10.4895 -10.4895 -10.4392 -10.4392 -0.7006 -0.7006 1.8776 1.8776 2.7781 2.7781 7.2107 7.2107 7.2415 7.2415 8.3685 8.3685 8.8069 8.8069 8.8395 8.8395 9.6608 9.6608 10.7201 10.7201 11.3689 11.3689 11.9635 11.9635 12.3223 12.3223 12.3728 12.3728 13.4918 13.4918 k = 0.0000 0.0000 0.2321 ( 3645 PWs) bands (ev): -30.8985 -30.8985 -30.8832 -30.8832 -11.9718 -11.9718 -11.8991 -11.8991 -10.6076 -10.6076 -10.5011 -10.5011 -10.4917 -10.4917 -10.4399 -10.4399 -0.6741 -0.6741 1.8859 1.8859 2.7926 2.7926 7.1301 7.1301 7.1558 7.1558 8.3088 8.3088 8.7968 8.7968 8.8190 8.8190 9.7751 9.7751 10.7727 10.7727 11.4103 11.4103 11.9401 11.9401 12.2363 12.2363 12.3304 12.3304 13.5689 13.5689 k = 0.0000 0.0000 0.2553 ( 3635 PWs) bands (ev): -30.8983 -30.8983 -30.8831 -30.8831 -11.9721 -11.9721 -11.9006 -11.9006 -10.6072 -10.6072 -10.5035 -10.5035 -10.4942 -10.4942 -10.4407 -10.4407 -0.6451 -0.6451 1.8954 1.8954 2.8076 2.8076 7.0483 7.0483 7.0691 7.0691 8.2433 8.2433 8.7857 8.7857 8.8006 8.8006 9.8926 9.8926 10.8294 10.8294 11.4219 11.4219 11.9182 11.9182 12.1487 12.1487 12.3233 12.3233 13.6541 13.6541 k = 0.0000 0.0000 0.2785 ( 3639 PWs) bands (ev): -30.8980 -30.8980 -30.8829 -30.8829 -11.9726 -11.9726 -11.9022 -11.9022 -10.6067 -10.6067 -10.5060 -10.5060 -10.4968 -10.4968 -10.4416 -10.4416 -0.6136 -0.6136 1.9058 1.9058 2.8230 2.8230 6.9654 6.9654 6.9827 6.9827 8.1730 8.1730 8.7681 8.7681 8.7890 8.7890 10.0121 10.0121 10.8900 10.8900 11.3992 11.3992 11.8985 11.8985 12.0625 12.0625 12.3554 12.3554 13.5767 13.5767 k = 0.0000 0.0000 0.3017 ( 3639 PWs) bands (ev): -30.8977 -30.8977 -30.8828 -30.8828 -11.9730 -11.9730 -11.9039 -11.9039 -10.6062 -10.6062 -10.5087 -10.5087 -10.4996 -10.4996 -10.4425 -10.4425 -0.5799 -0.5799 1.9173 1.9173 2.8383 2.8383 6.8813 6.8813 6.8981 6.8981 8.0994 8.0994 8.7466 8.7466 8.7813 8.7813 10.1329 10.1329 10.9540 10.9540 11.3466 11.3466 11.8813 11.8813 11.9799 11.9799 12.4221 12.4221 13.4072 13.4072 k = 0.0000 0.0000 0.3249 ( 3639 PWs) bands (ev): -30.8974 -30.8974 -30.8827 -30.8827 -11.9735 -11.9735 -11.9057 -11.9057 -10.6057 -10.6057 -10.5115 -10.5115 -10.5024 -10.5024 -10.4435 -10.4435 -0.5439 -0.5439 1.9300 1.9300 2.8531 2.8531 6.7970 6.7970 6.8155 6.8155 8.0233 8.0233 8.7242 8.7242 8.7738 8.7738 10.2539 10.2539 11.0213 11.0213 11.2728 11.2728 11.8660 11.8660 11.9041 11.9041 12.5141 12.5141 13.2377 13.2377 k = 0.0000 0.0000 0.3481 ( 3643 PWs) bands (ev): -30.8971 -30.8971 -30.8825 -30.8825 -11.9740 -11.9740 -11.9076 -11.9076 -10.6051 -10.6051 -10.5145 -10.5145 -10.5055 -10.5055 -10.4446 -10.4446 -0.5058 -0.5058 1.9438 1.9438 2.8672 2.8672 6.7141 6.7141 6.7344 6.7344 7.9457 7.9457 8.7015 8.7015 8.7653 8.7653 10.3739 10.3739 11.0909 11.0909 11.1864 11.1864 11.8252 11.8252 11.8643 11.8643 12.6228 12.6228 13.0701 13.0701 k = 0.0000 0.0000 0.3713 ( 3637 PWs) bands (ev): -30.8967 -30.8967 -30.8824 -30.8824 -11.9745 -11.9745 -11.9096 -11.9096 -10.6045 -10.6045 -10.5176 -10.5176 -10.5086 -10.5086 -10.4458 -10.4458 -0.4656 -0.4656 1.9588 1.9588 2.8800 2.8800 6.6337 6.6337 6.6544 6.6544 7.8673 7.8673 8.6790 8.6790 8.7550 8.7550 10.4916 10.4916 11.0882 11.0882 11.1676 11.1676 11.7627 11.7627 11.8581 11.8581 12.7416 12.7416 12.9060 12.9060 k = 0.0000 0.0000 0.3945 ( 3647 PWs) bands (ev): -30.8964 -30.8964 -30.8823 -30.8823 -11.9750 -11.9750 -11.9117 -11.9117 -10.6039 -10.6039 -10.5208 -10.5208 -10.5118 -10.5118 -10.4471 -10.4471 -0.4236 -0.4236 1.9750 1.9750 2.8912 2.8912 6.5568 6.5568 6.5755 6.5755 7.7888 7.7888 8.6568 8.6568 8.7424 8.7424 10.6052 10.6052 10.9904 10.9904 11.2425 11.2425 11.7066 11.7066 11.8583 11.8583 12.7462 12.7462 12.8675 12.8675 k = 0.0000 0.0000 0.4177 ( 3647 PWs) bands (ev): -30.8960 -30.8960 -30.8821 -30.8821 -11.9756 -11.9756 -11.9138 -11.9138 -10.6032 -10.6032 -10.5241 -10.5241 -10.5150 -10.5150 -10.4484 -10.4484 -0.3798 -0.3798 1.9926 1.9926 2.9002 2.9002 6.4843 6.4843 6.4975 6.4975 7.7109 7.7109 8.6351 8.6351 8.7271 8.7271 10.7125 10.7125 10.8901 10.8901 11.3209 11.3209 11.6589 11.6589 11.8620 11.8620 12.5970 12.5970 12.9945 12.9945 k = 0.0000 0.0000 0.4409 ( 3647 PWs) bands (ev): -30.8956 -30.8956 -30.8819 -30.8819 -11.9762 -11.9762 -11.9161 -11.9161 -10.6025 -10.6025 -10.5275 -10.5275 -10.5183 -10.5183 -10.4498 -10.4498 -0.3344 -0.3344 2.0114 2.0114 2.9067 2.9067 6.4157 6.4157 6.4215 6.4215 7.6340 7.6340 8.6139 8.6139 8.7087 8.7087 10.7833 10.7833 10.8179 10.8179 11.4016 11.4016 11.6204 11.6204 11.8641 11.8641 12.4641 12.4641 13.1214 13.1214 k = 0.0000 0.0000 0.4642 ( 3647 PWs) bands (ev): -30.8952 -30.8952 -30.8818 -30.8818 -11.9768 -11.9768 -11.9183 -11.9183 -10.6019 -10.6019 -10.5309 -10.5309 -10.5216 -10.5216 -10.4512 -10.4512 -0.2874 -0.2874 2.0316 2.0316 2.9101 2.9101 6.3424 6.3424 6.3567 6.3567 7.5585 7.5585 8.5934 8.5934 8.6869 8.6869 10.6867 10.6867 10.9035 10.9035 11.4840 11.4840 11.5917 11.5917 11.8517 11.8517 12.3629 12.3629 13.2457 13.2457 k = 0.0000 0.0000 0.4874 ( 3651 PWs) bands (ev): -30.8947 -30.8947 -30.8816 -30.8816 -11.9774 -11.9774 -11.9206 -11.9206 -10.6012 -10.6012 -10.5345 -10.5345 -10.5249 -10.5249 -10.4527 -10.4527 -0.2391 -0.2391 2.0533 2.0533 2.9102 2.9102 6.2668 6.2668 6.3012 6.3012 7.4850 7.4850 8.5736 8.5736 8.6618 8.6618 10.5876 10.5876 10.9813 10.9813 11.5592 11.5592 11.5818 11.5818 11.8051 11.8051 12.3149 12.3149 13.3651 13.3651 k = 0.0000 0.0000 0.5106 ( 3643 PWs) bands (ev): -30.8943 -30.8943 -30.8815 -30.8815 -11.9780 -11.9780 -11.9230 -11.9230 -10.6005 -10.6005 -10.5380 -10.5380 -10.5282 -10.5282 -10.4543 -10.4543 -0.1896 -0.1896 2.0763 2.0763 2.9064 2.9064 6.1916 6.1916 6.2526 6.2526 7.4138 7.4138 8.5547 8.5547 8.6333 8.6333 10.4900 10.4900 11.0467 11.0467 11.5595 11.5595 11.6575 11.6575 11.7180 11.7180 12.3283 12.3283 13.4780 13.4780 k = 0.0000 0.0000 0.5338 ( 3647 PWs) bands (ev): -30.8939 -30.8939 -30.8813 -30.8813 -11.9786 -11.9786 -11.9254 -11.9254 -10.5999 -10.5999 -10.5416 -10.5416 -10.5314 -10.5314 -10.4560 -10.4560 -0.1390 -0.1390 2.1009 2.1009 2.8986 2.8986 6.1171 6.1171 6.2110 6.2110 7.3452 7.3452 8.5367 8.5367 8.6015 8.6015 10.3943 10.3943 11.0991 11.0991 11.5578 11.5578 11.6048 11.6048 11.7460 11.7460 12.3890 12.3890 13.5830 13.5830 k = 0.0000 0.0000 0.5570 ( 3641 PWs) bands (ev): -30.8934 -30.8934 -30.8811 -30.8811 -11.9793 -11.9793 -11.9278 -11.9278 -10.5993 -10.5993 -10.5451 -10.5451 -10.5345 -10.5345 -10.4576 -10.4576 -0.0875 -0.0875 2.1269 2.1269 2.8864 2.8864 6.0430 6.0430 6.1768 6.1768 7.2796 7.2796 8.5195 8.5195 8.5666 8.5666 10.3007 10.3007 11.1372 11.1372 11.4767 11.4767 11.5724 11.5724 11.8349 11.8349 12.4807 12.4807 13.6795 13.6795 k = 0.0000 0.0000 0.5802 ( 3635 PWs) bands (ev): -30.8929 -30.8929 -30.8810 -30.8810 -11.9799 -11.9799 -11.9303 -11.9303 -10.5987 -10.5987 -10.5487 -10.5487 -10.5375 -10.5375 -10.4594 -10.4594 -0.0352 -0.0352 2.1546 2.1546 2.8698 2.8698 5.9695 5.9695 6.1499 6.1499 7.2173 7.2173 8.5034 8.5034 8.5288 8.5288 10.2095 10.2095 11.1520 11.1520 11.3643 11.3643 11.5905 11.5905 11.9249 11.9249 12.5933 12.5933 13.7674 13.7674 k = 0.0000 0.0000 0.6034 ( 3639 PWs) bands (ev): -30.8925 -30.8925 -30.8808 -30.8808 -11.9805 -11.9805 -11.9327 -11.9327 -10.5983 -10.5983 -10.5522 -10.5522 -10.5404 -10.5404 -10.4612 -10.4612 0.0177 0.0177 2.1838 2.1838 2.8486 2.8486 5.8963 5.8963 6.1303 6.1303 7.1585 7.1585 8.4882 8.4882 8.4885 8.4885 10.1207 10.1207 11.1096 11.1096 11.3013 11.3013 11.6183 11.6183 12.0156 12.0156 12.7210 12.7210 13.8469 13.8469 k = 0.0000 0.0000 0.6266 ( 3639 PWs) bands (ev): -30.8920 -30.8920 -30.8807 -30.8807 -11.9811 -11.9811 -11.9352 -11.9352 -10.5979 -10.5979 -10.5558 -10.5558 -10.5431 -10.5431 -10.4630 -10.4630 0.0711 0.0711 2.2146 2.2146 2.8229 2.8229 5.8235 5.8235 6.1179 6.1179 7.1035 7.1035 8.4461 8.4461 8.4742 8.4742 10.0342 10.0342 11.0041 11.0041 11.2978 11.2978 11.6548 11.6548 12.1065 12.1065 12.8599 12.8599 13.9185 13.9185 k = 0.0000 0.0000 0.6498 ( 3633 PWs) bands (ev): -30.8915 -30.8915 -30.8805 -30.8805 -11.9817 -11.9817 -11.9376 -11.9376 -10.5977 -10.5977 -10.5593 -10.5593 -10.5455 -10.5455 -10.4648 -10.4648 0.1248 0.1248 2.2470 2.2470 2.7928 2.7928 5.7509 5.7509 6.1125 6.1125 7.0525 7.0525 8.4020 8.4020 8.4612 8.4612 9.9501 9.9501 10.8788 10.8788 11.3135 11.3135 11.6996 11.6996 12.1974 12.1974 13.0072 13.0072 13.9819 13.9819 k = 0.0000 0.0000 0.6730 ( 3637 PWs) bands (ev): -30.8910 -30.8910 -30.8804 -30.8804 -11.9823 -11.9823 -11.9400 -11.9400 -10.5976 -10.5976 -10.5627 -10.5627 -10.5477 -10.5477 -10.4668 -10.4668 0.1786 0.1786 2.2812 2.2812 2.7585 2.7585 5.6784 5.6784 6.1137 6.1137 7.0057 7.0057 8.3565 8.3565 8.4494 8.4494 9.8683 9.8683 10.7500 10.7500 11.3339 11.3339 11.7522 11.7522 12.2876 12.2876 13.1611 13.1611 14.0364 14.0364 k = 0.0000 0.0000 0.6962 ( 3635 PWs) bands (ev): -30.8905 -30.8905 -30.8802 -30.8802 -11.9829 -11.9829 -11.9424 -11.9424 -10.5978 -10.5978 -10.5661 -10.5661 -10.5495 -10.5495 -10.4687 -10.4687 0.2326 0.2326 2.3170 2.3170 2.7204 2.7204 5.6061 5.6061 6.1210 6.1210 6.9633 6.9633 8.3102 8.3102 8.4386 8.4386 9.7887 9.7887 10.6219 10.6219 11.3560 11.3560 11.8122 11.8122 12.3767 12.3767 13.3199 13.3199 14.0799 14.0799 k = 0.0000 0.0000 0.7194 ( 3635 PWs) bands (ev): -30.8901 -30.8901 -30.8801 -30.8801 -11.9835 -11.9835 -11.9448 -11.9448 -10.5981 -10.5981 -10.5694 -10.5694 -10.5510 -10.5510 -10.4707 -10.4707 0.2864 0.2864 2.3545 2.3545 2.6788 2.6788 5.5338 5.5338 6.1340 6.1340 6.9255 6.9255 8.2633 8.2633 8.4291 8.4291 9.7111 9.7111 10.4961 10.4961 11.3794 11.3794 11.8792 11.8792 12.4641 12.4641 13.4825 13.4825 14.1090 14.1090 k = 0.0000 0.0000 0.7427 ( 3641 PWs) bands (ev): -30.8896 -30.8896 -30.8800 -30.8800 -11.9840 -11.9840 -11.9472 -11.9472 -10.5987 -10.5987 -10.5727 -10.5727 -10.5522 -10.5522 -10.4727 -10.4727 0.3400 0.3400 2.3937 2.3937 2.6340 2.6340 5.4614 5.4614 6.1520 6.1520 6.8922 6.8922 8.2163 8.2163 8.4208 8.4208 9.6354 9.6354 10.3734 10.3734 11.4040 11.4040 11.9528 11.9528 12.5491 12.5491 13.6478 13.6478 14.1192 14.1192 k = 0.0000 0.0000 0.7659 ( 3649 PWs) bands (ev): -30.8891 -30.8891 -30.8799 -30.8799 -11.9845 -11.9845 -11.9495 -11.9495 -10.5995 -10.5995 -10.5759 -10.5759 -10.5529 -10.5529 -10.4747 -10.4747 0.3932 0.3932 2.4347 2.4347 2.5864 2.5864 5.3889 5.3889 6.1744 6.1744 6.8637 6.8637 8.1696 8.1696 8.4136 8.4136 9.5613 9.5613 10.2542 10.2542 11.4300 11.4300 12.0325 12.0325 12.6308 12.6308 13.8146 13.8146 14.1078 14.1078 k = 0.0000 0.0000 0.7891 ( 3650 PWs) bands (ev): -30.8886 -30.8886 -30.8797 -30.8797 -11.9850 -11.9850 -11.9518 -11.9518 -10.6005 -10.6005 -10.5791 -10.5791 -10.5533 -10.5533 -10.4767 -10.4767 0.4461 0.4461 2.4773 2.4773 2.5366 2.5366 5.3163 5.3163 6.2007 6.2007 6.8399 6.8399 8.1235 8.1235 8.4077 8.4077 9.4887 9.4887 10.1388 10.1388 11.4575 11.4575 12.1181 12.1181 12.7085 12.7085 13.9821 13.9821 14.0759 14.0759 k = 0.0000 0.0000 0.8123 ( 3656 PWs) bands (ev): -30.8881 -30.8881 -30.8797 -30.8797 -11.9855 -11.9855 -11.9540 -11.9540 -10.6017 -10.6017 -10.5821 -10.5821 -10.5534 -10.5534 -10.4788 -10.4788 0.4983 0.4983 2.4843 2.4843 2.5222 2.5222 5.2434 5.2434 6.2303 6.2303 6.8209 6.8209 8.0783 8.0783 8.4031 8.4031 9.4173 9.4173 10.0274 10.0274 11.4867 11.4867 12.2091 12.2091 12.7810 12.7810 14.0290 14.0290 14.1492 14.1492 k = 0.0000 0.0000 0.8355 ( 3652 PWs) bands (ev): -30.8877 -30.8877 -30.8796 -30.8796 -11.9859 -11.9859 -11.9562 -11.9562 -10.6030 -10.6030 -10.5851 -10.5851 -10.5531 -10.5531 -10.4809 -10.4809 0.5500 0.5500 2.4310 2.4310 2.5682 2.5682 5.1702 5.1702 6.2624 6.2624 6.8066 6.8066 8.0344 8.0344 8.3998 8.3998 9.3467 9.3467 9.9200 9.9200 11.5178 11.5178 12.3053 12.3053 12.8472 12.8472 13.9738 13.9738 14.3146 14.3146 k = 0.0000 0.0000 0.8587 ( 3664 PWs) bands (ev): -30.8872 -30.8872 -30.8795 -30.8795 -11.9863 -11.9863 -11.9583 -11.9583 -10.6044 -10.6044 -10.5880 -10.5880 -10.5526 -10.5526 -10.4830 -10.4830 0.6010 0.6010 2.3764 2.3764 2.6162 2.6162 5.0967 5.0967 6.2966 6.2966 6.7969 6.7969 7.9921 7.9921 8.3979 8.3979 9.2769 9.2769 9.8169 9.8169 11.5508 11.5508 12.4061 12.4061 12.9058 12.9058 13.9161 13.9161 14.4768 14.4768 k = 0.0000 0.0000 0.8819 ( 3654 PWs) bands (ev): -30.8867 -30.8867 -30.8794 -30.8794 -11.9867 -11.9867 -11.9604 -11.9604 -10.6059 -10.6059 -10.5908 -10.5908 -10.5518 -10.5518 -10.4851 -10.4851 0.6513 0.6513 2.3209 2.3209 2.6658 2.6658 5.0228 5.0228 6.3323 6.3323 6.7917 6.7917 7.9517 7.9517 8.3972 8.3972 9.2074 9.2074 9.7180 9.7180 11.5858 11.5858 12.5115 12.5115 12.9556 12.9556 13.8602 13.8602 14.6342 14.6342 k = 0.0000 0.0000 0.9051 ( 3654 PWs) bands (ev): -30.8863 -30.8863 -30.8794 -30.8794 -11.9870 -11.9870 -11.9624 -11.9624 -10.6074 -10.6074 -10.5934 -10.5934 -10.5508 -10.5508 -10.4872 -10.4872 0.7009 0.7009 2.2649 2.2649 2.7172 2.7172 4.9487 4.9487 6.3691 6.3691 6.7906 6.7906 7.9136 7.9136 8.3980 8.3980 9.1380 9.1380 9.6233 9.6233 11.6228 11.6228 12.6210 12.6210 12.9955 12.9955 13.8089 13.8089 14.7837 14.7837 k = 0.0000 0.0000 0.9283 ( 3664 PWs) bands (ev): -30.8858 -30.8858 -30.8794 -30.8794 -11.9873 -11.9873 -11.9643 -11.9643 -10.6089 -10.6089 -10.5960 -10.5960 -10.5496 -10.5496 -10.4894 -10.4894 0.7497 0.7497 2.2085 2.2085 2.7703 2.7703 4.8741 4.8741 6.4064 6.4064 6.7934 6.7934 7.8782 7.8782 8.4002 8.4002 9.0684 9.0684 9.5330 9.5330 11.6619 11.6619 12.7342 12.7342 13.0245 13.0245 13.7646 13.7646 14.8947 14.8947 k = 0.0000 0.0000 0.9515 ( 3666 PWs) bands (ev): -30.8854 -30.8854 -30.8793 -30.8793 -11.9875 -11.9875 -11.9662 -11.9662 -10.6104 -10.6104 -10.5985 -10.5985 -10.5483 -10.5483 -10.4915 -10.4915 0.7977 0.7977 2.1522 2.1522 2.8251 2.8251 4.7992 4.7992 6.4439 6.4439 6.7997 6.7997 7.8458 7.8458 8.4039 8.4039 8.9985 8.9985 9.4469 9.4469 11.7030 11.7030 12.8507 12.8507 13.0420 13.0420 13.7285 13.7285 14.8947 14.8947 k = 0.0000 0.0000 0.9747 ( 3662 PWs) bands (ev): -30.8850 -30.8850 -30.8793 -30.8793 -11.9876 -11.9876 -11.9680 -11.9680 -10.6117 -10.6117 -10.6008 -10.6008 -10.5468 -10.5468 -10.4937 -10.4937 0.8451 0.8451 2.0960 2.0960 2.8815 2.8815 4.7240 4.7240 6.4812 6.4812 6.8089 6.8089 7.8171 7.8171 8.4091 8.4091 8.9281 8.9281 9.3651 9.3651 11.7462 11.7462 12.9695 12.9695 13.0488 13.0488 13.7019 13.7019 14.9028 14.9028 k = 0.0000 0.0000 0.9979 ( 3668 PWs) bands (ev): -30.8846 -30.8846 -30.8793 -30.8793 -11.9877 -11.9877 -11.9697 -11.9697 -10.6131 -10.6131 -10.6030 -10.6030 -10.5453 -10.5453 -10.4959 -10.4959 0.8917 0.8917 2.0402 2.0402 2.9395 2.9395 4.6485 4.6485 6.5180 6.5180 6.8205 6.8205 7.7924 7.7924 8.4158 8.4158 8.8570 8.8570 9.2874 9.2874 11.7915 11.7915 13.0382 13.0382 13.0968 13.0968 13.6854 13.6854 14.9203 14.9203 k = 0.0000 0.0000 1.0211 ( 3672 PWs) bands (ev): -30.8842 -30.8842 -30.8794 -30.8794 -11.9878 -11.9878 -11.9713 -11.9713 -10.6143 -10.6143 -10.6051 -10.6051 -10.5436 -10.5436 -10.4980 -10.4980 0.9377 0.9377 1.9849 1.9849 2.9991 2.9991 4.5727 4.5727 6.5541 6.5541 6.8336 6.8336 7.7725 7.7725 8.4242 8.4242 8.7853 8.7853 9.2139 9.2139 11.8388 11.8388 13.0237 13.0237 13.2196 13.2196 13.6795 13.6795 14.9466 14.9466 k = 0.0000 0.0000 1.0444 ( 3676 PWs) bands (ev): -30.8838 -30.8838 -30.8794 -30.8794 -11.9878 -11.9878 -11.9729 -11.9729 -10.6154 -10.6154 -10.6071 -10.6071 -10.5418 -10.5418 -10.5002 -10.5002 0.9832 0.9832 1.9302 1.9302 3.0602 3.0602 4.4968 4.4968 6.5892 6.5892 6.8474 6.8474 7.7580 7.7580 8.4341 8.4341 8.7130 8.7130 9.1445 9.1445 11.8880 11.8880 12.9979 12.9979 13.3456 13.3456 13.6844 13.6844 14.9802 14.9802 k = 0.0000 0.0000 1.0676 ( 3676 PWs) bands (ev): -30.8834 -30.8834 -30.8795 -30.8795 -11.9877 -11.9877 -11.9744 -11.9744 -10.6164 -10.6164 -10.6089 -10.6089 -10.5400 -10.5400 -10.5024 -10.5024 1.0282 1.0282 1.8763 1.8763 3.1228 3.1228 4.4206 4.4206 6.6232 6.6232 6.8610 6.8610 7.7496 7.7496 8.4455 8.4455 8.6404 8.6404 9.0790 9.0790 11.9390 11.9390 12.9637 12.9637 13.4726 13.4726 13.7001 13.7001 15.0197 15.0197 k = 0.0000 0.0000 1.0908 ( 3668 PWs) bands (ev): -30.8830 -30.8830 -30.8795 -30.8795 -11.9876 -11.9876 -11.9758 -11.9758 -10.6172 -10.6172 -10.6106 -10.6106 -10.5381 -10.5381 -10.5045 -10.5045 1.0729 1.0729 1.8233 1.8233 3.1868 3.1868 4.3445 4.3445 6.6558 6.6558 6.8733 6.8733 7.7480 7.7480 8.4579 8.4579 8.5683 8.5683 9.0174 9.0174 11.9920 11.9920 12.9224 12.9224 13.5995 13.5995 13.7263 13.7263 15.0635 15.0635 k = 0.0000 0.0000 1.1140 ( 3674 PWs) bands (ev): -30.8827 -30.8827 -30.8796 -30.8796 -11.9874 -11.9874 -11.9771 -11.9771 -10.6179 -10.6179 -10.6121 -10.6121 -10.5362 -10.5362 -10.5067 -10.5067 1.1173 1.1173 1.7711 1.7711 3.2522 3.2522 4.2683 4.2683 6.6871 6.6871 6.8835 6.8835 7.7539 7.7539 8.4640 8.4640 8.5043 8.5043 8.9595 8.9595 12.0466 12.0466 12.8752 12.8752 13.7246 13.7246 13.7627 13.7627 15.1101 15.1101 k = 0.0000 0.0000 1.1372 ( 3676 PWs) bands (ev): -30.8824 -30.8824 -30.8797 -30.8797 -11.9872 -11.9872 -11.9784 -11.9784 -10.6185 -10.6185 -10.6135 -10.6135 -10.5342 -10.5342 -10.5089 -10.5089 1.1615 1.1615 1.7197 1.7197 3.3190 3.3190 4.1922 4.1922 6.7169 6.7169 6.8907 6.8907 7.7677 7.7677 8.4135 8.4135 8.4991 8.4991 8.9054 8.9054 12.1028 12.1028 12.8235 12.8235 13.8079 13.8079 13.8462 13.8462 15.1576 15.1576 k = 0.0000 0.0000 1.1604 ( 3682 PWs) bands (ev): -30.8820 -30.8820 -30.8798 -30.8798 -11.9869 -11.9869 -11.9795 -11.9795 -10.6189 -10.6189 -10.6148 -10.6148 -10.5322 -10.5322 -10.5111 -10.5111 1.2057 1.2057 1.6694 1.6694 3.3869 3.3869 4.1162 4.1162 6.7450 6.7450 6.8943 6.8943 7.7896 7.7896 8.3429 8.3429 8.5168 8.5168 8.8547 8.8547 12.1605 12.1605 12.7682 12.7682 13.8619 13.8619 13.9600 13.9600 15.1272 15.1272 k = 0.0000 0.0000 1.1836 ( 3674 PWs) bands (ev): -30.8817 -30.8817 -30.8800 -30.8800 -11.9865 -11.9865 -11.9806 -11.9806 -10.6192 -10.6192 -10.6159 -10.6159 -10.5302 -10.5302 -10.5132 -10.5132 1.2500 1.2500 1.6199 1.6199 3.4560 3.4560 4.0406 4.0406 6.7713 6.7713 6.8941 6.8941 7.8195 7.8195 8.2718 8.2718 8.5382 8.5382 8.8075 8.8075 12.2195 12.2195 12.7102 12.7102 13.9225 13.9225 14.0606 14.0606 15.0641 15.0641 k = 0.0000 0.0000 1.2068 ( 3670 PWs) bands (ev): -30.8815 -30.8815 -30.8801 -30.8801 -11.9860 -11.9860 -11.9816 -11.9816 -10.6193 -10.6193 -10.6169 -10.6169 -10.5281 -10.5281 -10.5154 -10.5154 1.2944 1.2944 1.5712 1.5712 3.5262 3.5262 3.9653 3.9653 6.7958 6.7958 6.8900 6.8900 7.8571 7.8571 8.2021 8.2021 8.5623 8.5623 8.7635 8.7635 12.2797 12.2797 12.6503 12.6503 13.9876 13.9876 14.1395 14.1395 15.0177 15.0177 k = 0.0000 0.0000 1.2300 ( 3664 PWs) bands (ev): -30.8812 -30.8812 -30.8803 -30.8803 -11.9854 -11.9854 -11.9825 -11.9825 -10.6193 -10.6193 -10.6177 -10.6177 -10.5260 -10.5260 -10.5175 -10.5175 1.3392 1.3392 1.5235 1.5235 3.5974 3.5974 3.8904 3.8904 6.8182 6.8182 6.8820 6.8820 7.9017 7.9017 8.1345 8.1345 8.5890 8.5890 8.7228 8.7228 12.3408 12.3408 12.5891 12.5891 14.0539 14.0539 14.1860 14.1860 15.0008 15.0008 k = 0.0000 0.0000 1.2532 ( 3664 PWs) bands (ev): -30.8809 -30.8809 -30.8805 -30.8805 -11.9848 -11.9848 -11.9834 -11.9834 -10.6191 -10.6191 -10.6183 -10.6183 -10.5239 -10.5239 -10.5197 -10.5197 1.3844 1.3844 1.4764 1.4764 3.6695 3.6695 3.8161 3.8161 6.8383 6.8383 6.8705 6.8705 7.9526 7.9526 8.0698 8.0698 8.6182 8.6182 8.6850 8.6850 12.4025 12.4025 12.5271 12.5271 14.1163 14.1163 14.1938 14.1938 15.0212 15.0212 k = 0.0000 0.0000 1.2764 ( 3668 PWs) bands (ev): -30.8807 -30.8807 -30.8807 -30.8807 -11.9841 -11.9841 -11.9841 -11.9841 -10.6188 -10.6188 -10.6188 -10.6188 -10.5218 -10.5218 -10.5218 -10.5218 1.4301 1.4301 1.4301 1.4301 3.7424 3.7424 3.7424 3.7424 6.8558 6.8558 6.8558 6.8558 8.0089 8.0089 8.0089 8.0089 8.6502 8.6502 8.6502 8.6502 12.4648 12.4648 12.4648 12.4648 14.1667 14.1667 14.1667 14.1667 15.0751 15.0751 k = 0.0000 0.0000 1.2764 ( 3668 PWs) bands (ev): -30.8807 -30.8807 -30.8807 -30.8807 -11.9841 -11.9841 -11.9841 -11.9841 -10.6188 -10.6188 -10.6188 -10.6188 -10.5218 -10.5218 -10.5218 -10.5218 1.4301 1.4301 1.4301 1.4301 3.7424 3.7424 3.7424 3.7424 6.8558 6.8558 6.8558 6.8558 8.0089 8.0089 8.0089 8.0089 8.6502 8.6502 8.6502 8.6502 12.4648 12.4648 12.4648 12.4648 14.1667 14.1667 14.1667 14.1667 15.0751 15.0751 k =-0.0091 0.0213 1.2764 ( 3658 PWs) bands (ev): -30.8807 -30.8807 -30.8807 -30.8807 -11.9843 -11.9843 -11.9839 -11.9839 -10.6192 -10.6192 -10.6183 -10.6183 -10.5220 -10.5220 -10.5216 -10.5216 1.4290 1.4290 1.4294 1.4294 3.7433 3.7433 3.7436 3.7436 6.8556 6.8556 6.8564 6.8564 8.0061 8.0061 8.0111 8.0111 8.6500 8.6500 8.6542 8.6542 12.4619 12.4619 12.4627 12.4627 14.1692 14.1692 14.1695 14.1695 15.0728 15.0736 k =-0.0181 0.0426 1.2764 ( 3658 PWs) bands (ev): -30.8807 -30.8807 -30.8807 -30.8807 -11.9843 -11.9843 -11.9836 -11.9836 -10.6195 -10.6195 -10.6176 -10.6176 -10.5222 -10.5222 -10.5213 -10.5213 1.4261 1.4261 1.4270 1.4270 3.7462 3.7462 3.7469 3.7469 6.8556 6.8556 6.8572 6.8572 8.0027 8.0027 8.0126 8.0126 8.6536 8.6536 8.6619 8.6619 12.4544 12.4544 12.4559 12.4559 14.1767 14.1767 14.1772 14.1772 15.0705 15.0705 k =-0.0272 0.0639 1.2764 ( 3658 PWs) bands (ev): -30.8808 -30.8808 -30.8808 -30.8808 -11.9843 -11.9843 -11.9833 -11.9833 -10.6196 -10.6196 -10.6168 -10.6168 -10.5224 -10.5224 -10.5210 -10.5210 1.4213 1.4213 1.4227 1.4227 3.7512 3.7512 3.7522 3.7522 6.8560 6.8560 6.8584 6.8584 7.9991 7.9991 8.0135 8.0135 8.6610 8.6610 8.6729 8.6729 12.4428 12.4428 12.4450 12.4450 14.1884 14.1884 14.1892 14.1892 15.0685 15.0685 k =-0.0363 0.0851 1.2764 ( 3652 PWs) bands (ev): -30.8808 -30.8808 -30.8808 -30.8808 -11.9842 -11.9842 -11.9828 -11.9828 -10.6196 -10.6196 -10.6158 -10.6158 -10.5225 -10.5225 -10.5207 -10.5207 1.4147 1.4147 1.4165 1.4165 3.7584 3.7584 3.7598 3.7598 6.8565 6.8565 6.8597 6.8597 7.9953 7.9953 8.0138 8.0138 8.6719 8.6719 8.6871 8.6871 12.4281 12.4281 12.4310 12.4310 14.2031 14.2031 14.2042 14.2042 15.0668 15.0668 k =-0.0453 0.1064 1.2764 ( 3660 PWs) bands (ev): -30.8809 -30.8809 -30.8809 -30.8809 -11.9841 -11.9841 -11.9823 -11.9823 -10.6194 -10.6194 -10.6147 -10.6147 -10.5226 -10.5226 -10.5203 -10.5203 1.4063 1.4063 1.4085 1.4085 3.7679 3.7679 3.7695 3.7695 6.8572 6.8572 6.8611 6.8611 7.9918 7.9918 8.0137 8.0137 8.6863 8.6863 8.7042 8.7042 12.4115 12.4115 12.4150 12.4150 14.2193 14.2193 14.2210 14.2210 15.0649 15.0649 k =-0.0453 0.1064 1.2764 ( 3660 PWs) bands (ev): -30.8809 -30.8809 -30.8809 -30.8809 -11.9841 -11.9841 -11.9823 -11.9823 -10.6194 -10.6194 -10.6147 -10.6147 -10.5226 -10.5226 -10.5203 -10.5203 1.4063 1.4063 1.4085 1.4085 3.7679 3.7679 3.7695 3.7695 6.8572 6.8572 6.8611 6.8611 7.9918 7.9918 8.0137 8.0137 8.6863 8.6863 8.7042 8.7042 12.4115 12.4115 12.4150 12.4150 14.2193 14.2193 14.2210 14.2210 15.0649 15.0650 k =-0.0516 0.1213 1.2603 ( 3658 PWs) bands (ev): -30.8811 -30.8811 -30.8808 -30.8808 -11.9840 -11.9840 -11.9818 -11.9818 -10.6192 -10.6192 -10.6138 -10.6138 -10.5233 -10.5233 -10.5194 -10.5194 1.3700 1.3700 1.4314 1.4314 3.7255 3.7255 3.8282 3.8282 6.8501 6.8501 6.8683 6.8683 7.9602 7.9602 8.0453 8.0453 8.6853 8.6853 8.7315 8.7315 12.3569 12.3569 12.4460 12.4460 14.2151 14.2151 14.2353 14.2353 15.0565 15.0565 k =-0.0579 0.1361 1.2442 ( 3666 PWs) bands (ev): -30.8814 -30.8814 -30.8808 -30.8808 -11.9840 -11.9840 -11.9810 -11.9810 -10.6189 -10.6189 -10.6128 -10.6128 -10.5245 -10.5245 -10.5179 -10.5179 1.3326 1.3326 1.4543 1.4543 3.6837 3.6837 3.8893 3.8893 6.8413 6.8413 6.8742 6.8742 7.9231 7.9231 8.0878 8.0878 8.6818 8.6818 8.7660 8.7660 12.3006 12.3006 12.4791 12.4791 14.2067 14.2067 14.2265 14.2265 15.0598 15.0598 k =-0.0643 0.1509 1.2281 ( 3662 PWs) bands (ev): -30.8816 -30.8816 -30.8807 -30.8807 -11.9840 -11.9840 -11.9802 -11.9802 -10.6185 -10.6185 -10.6116 -10.6116 -10.5258 -10.5258 -10.5163 -10.5163 1.2953 1.2953 1.4759 1.4759 3.6430 3.6430 3.9520 3.9520 6.8324 6.8324 6.8769 6.8769 7.8891 7.8891 8.1330 8.1330 8.6812 8.6812 8.8019 8.8019 12.2451 12.2451 12.5127 12.5127 14.1927 14.1927 14.1984 14.1984 15.0728 15.0728 k =-0.0706 0.1658 1.2119 ( 3658 PWs) bands (ev): -30.8819 -30.8819 -30.8807 -30.8807 -11.9839 -11.9839 -11.9792 -11.9792 -10.6180 -10.6180 -10.6103 -10.6103 -10.5270 -10.5270 -10.5147 -10.5147 1.2583 1.2583 1.4963 1.4963 3.6035 3.6035 4.0161 4.0161 6.8238 6.8238 6.8760 6.8760 7.8590 7.8590 8.1806 8.1806 8.6837 8.6837 8.8383 8.8383 12.1912 12.1912 12.5469 12.5469 14.1422 14.1422 14.1874 14.1874 15.0519 15.0519 k =-0.0769 0.1806 1.1958 ( 3658 PWs) bands (ev): -30.8822 -30.8822 -30.8807 -30.8807 -11.9838 -11.9838 -11.9782 -11.9782 -10.6174 -10.6174 -10.6089 -10.6089 -10.5282 -10.5282 -10.5130 -10.5130 1.2215 1.2215 1.5154 1.5154 3.5652 3.5652 4.0816 4.0816 6.8157 6.8157 6.8712 6.8712 7.8333 7.8333 8.2304 8.2304 8.6893 8.6893 8.8745 8.8745 12.1397 12.1397 12.5818 12.5818 14.0765 14.0765 14.1777 14.1777 14.9821 14.9821 k =-0.0832 0.1954 1.1797 ( 3658 PWs) bands (ev): -30.8825 -30.8825 -30.8807 -30.8807 -11.9836 -11.9836 -11.9772 -11.9772 -10.6167 -10.6167 -10.6075 -10.6075 -10.5293 -10.5293 -10.5112 -10.5112 1.1851 1.1851 1.5332 1.5332 3.5281 3.5281 4.1485 4.1485 6.8083 6.8083 6.8622 6.8622 7.8126 7.8126 8.2824 8.2824 8.6980 8.6980 8.9101 8.9101 12.0915 12.0915 12.6172 12.6172 14.0010 14.0010 14.1680 14.1680 14.8894 14.8894 k =-0.0895 0.2103 1.1636 ( 3654 PWs) bands (ev): -30.8828 -30.8828 -30.8807 -30.8807 -11.9834 -11.9834 -11.9761 -11.9761 -10.6160 -10.6160 -10.6060 -10.6060 -10.5304 -10.5304 -10.5094 -10.5094 1.1491 1.1491 1.5497 1.5497 3.4921 3.4921 4.2165 4.2165 6.8018 6.8018 6.8490 6.8490 7.7969 7.7969 8.3365 8.3365 8.7097 8.7097 8.9445 8.9445 12.0474 12.0474 12.6529 12.6529 13.9192 13.9192 14.1573 14.1573 14.7848 14.7848 k =-0.0958 0.2251 1.1475 ( 3660 PWs) bands (ev): -30.8831 -30.8831 -30.8807 -30.8807 -11.9831 -11.9831 -11.9750 -11.9750 -10.6152 -10.6152 -10.6044 -10.6044 -10.5313 -10.5313 -10.5075 -10.5075 1.1136 1.1136 1.5650 1.5650 3.4572 3.4572 4.2856 4.2856 6.7964 6.7964 6.8317 6.8317 7.7863 7.7863 8.3927 8.3927 8.7242 8.7242 8.9771 8.9771 12.0083 12.0083 12.6886 12.6886 13.8333 13.8333 14.1432 14.1432 14.6750 14.6750 k =-0.1021 0.2399 1.1313 ( 3659 PWs) bands (ev): -30.8834 -30.8834 -30.8808 -30.8808 -11.9828 -11.9828 -11.9738 -11.9738 -10.6143 -10.6143 -10.6028 -10.6028 -10.5322 -10.5322 -10.5056 -10.5056 1.0788 1.0788 1.5790 1.5790 3.4234 3.4234 4.3555 4.3555 6.7922 6.7922 6.8106 6.8106 7.7807 7.7807 8.4511 8.4511 8.7416 8.7416 9.0076 9.0076 11.9750 11.9750 12.7240 12.7240 13.7451 13.7451 14.1209 14.1209 14.5671 14.5671 k =-0.1085 0.2548 1.1152 ( 3659 PWs) bands (ev): -30.8837 -30.8837 -30.8808 -30.8808 -11.9824 -11.9824 -11.9726 -11.9726 -10.6135 -10.6135 -10.6013 -10.6013 -10.5329 -10.5329 -10.5036 -10.5036 1.0446 1.0446 1.5917 1.5917 3.3907 3.3907 4.4262 4.4262 6.7859 6.7859 6.7896 6.7896 7.7798 7.7798 8.5115 8.5115 8.7615 8.7615 9.0352 9.0352 11.9481 11.9481 12.7586 12.7586 13.6556 13.6556 14.0816 14.0816 14.4710 14.4710 k =-0.1148 0.2696 1.0991 ( 3659 PWs) bands (ev): -30.8840 -30.8840 -30.8809 -30.8809 -11.9820 -11.9820 -11.9714 -11.9714 -10.6126 -10.6126 -10.5998 -10.5998 -10.5334 -10.5334 -10.5015 -10.5015 1.0112 1.0112 1.6033 1.6033 3.3590 3.3590 4.4972 4.4972 6.7584 6.7584 6.7884 6.7884 7.7833 7.7833 8.5740 8.5740 8.7841 8.7841 9.0597 9.0597 11.9283 11.9283 12.7917 12.7917 13.5660 13.5660 14.0143 14.0143 14.3982 14.3982 k =-0.1211 0.2844 1.0830 ( 3657 PWs) bands (ev): -30.8843 -30.8843 -30.8810 -30.8810 -11.9816 -11.9816 -11.9702 -11.9702 -10.6118 -10.6118 -10.5983 -10.5983 -10.5338 -10.5338 -10.4994 -10.4994 0.9785 0.9785 1.6137 1.6137 3.3284 3.3284 4.5685 4.5685 6.7284 6.7284 6.7892 6.7892 7.7906 7.7906 8.6385 8.6385 8.8091 8.8091 9.0806 9.0806 11.9162 11.9162 12.8226 12.8226 13.4772 13.4772 13.9148 13.9148 14.3529 14.3529 k =-0.1274 0.2993 1.0669 ( 3657 PWs) bands (ev): -30.8847 -30.8847 -30.8810 -30.8810 -11.9811 -11.9811 -11.9690 -11.9690 -10.6109 -10.6109 -10.5970 -10.5970 -10.5339 -10.5339 -10.4972 -10.4972 0.9467 0.9467 1.6229 1.6229 3.2989 3.2989 4.6396 4.6396 6.6965 6.6965 6.7920 6.7920 7.8013 7.8013 8.7049 8.7049 8.8365 8.8365 9.0977 9.0977 11.9122 11.9122 12.8500 12.8500 13.3904 13.3904 13.7906 13.7906 14.3277 14.3277 k =-0.1337 0.3141 1.0507 ( 3656 PWs) bands (ev): -30.8850 -30.8850 -30.8811 -30.8811 -11.9806 -11.9806 -11.9679 -11.9679 -10.6101 -10.6101 -10.5958 -10.5958 -10.5339 -10.5339 -10.4949 -10.4949 0.9159 0.9159 1.6311 1.6311 3.2704 3.2704 4.7104 4.7104 6.6632 6.6632 6.7972 6.7972 7.8149 7.8149 8.7730 8.7730 8.8662 8.8662 9.1108 9.1108 11.9166 11.9166 12.8720 12.8720 13.3076 13.3076 13.6510 13.6510 14.3127 14.3127 k =-0.1400 0.3289 1.0346 ( 3658 PWs) bands (ev): -30.8853 -30.8853 -30.8812 -30.8812 -11.9801 -11.9801 -11.9667 -11.9667 -10.6094 -10.6094 -10.5947 -10.5947 -10.5336 -10.5336 -10.4926 -10.4926 0.8860 0.8860 1.6383 1.6383 3.2430 3.2430 4.7803 4.7803 6.6291 6.6291 6.8048 6.8048 7.8309 7.8309 8.8427 8.8427 8.8984 8.8984 9.1199 9.1199 11.9296 11.9296 12.8852 12.8852 13.2321 13.2321 13.5022 13.5022 14.3009 14.3009 k =-0.1464 0.3438 1.0185 ( 3658 PWs) bands (ev): -30.8856 -30.8856 -30.8813 -30.8813 -11.9796 -11.9796 -11.9655 -11.9655 -10.6087 -10.6087 -10.5937 -10.5937 -10.5331 -10.5331 -10.4903 -10.4903 0.8572 0.8572 1.6446 1.6446 3.2166 3.2166 4.8490 4.8490 6.5945 6.5945 6.8152 6.8152 7.8489 7.8489 8.9121 8.9121 8.9345 8.9345 9.1249 9.1249 11.9511 11.9511 12.8833 12.8833 13.1700 13.1700 13.3480 13.3480 14.2877 14.2877 k =-0.1527 0.3586 1.0024 ( 3658 PWs) bands (ev): -30.8860 -30.8860 -30.8814 -30.8814 -11.9790 -11.9790 -11.9644 -11.9644 -10.6080 -10.6080 -10.5929 -10.5929 -10.5324 -10.5324 -10.4879 -10.4879 0.8295 0.8295 1.6499 1.6499 3.1913 3.1913 4.9162 4.9162 6.5599 6.5599 6.8285 6.8285 7.8685 7.8685 8.9631 8.9631 8.9924 8.9924 9.1262 9.1262 11.9810 11.9810 12.8585 12.8585 13.1288 13.1288 13.1908 13.1908 14.2695 14.2695 k =-0.1590 0.3734 0.9862 ( 3653 PWs) bands (ev): -30.8863 -30.8863 -30.8815 -30.8815 -11.9785 -11.9785 -11.9633 -11.9633 -10.6074 -10.6074 -10.5922 -10.5922 -10.5315 -10.5315 -10.4855 -10.4855 0.8029 0.8029 1.6544 1.6544 3.1671 3.1671 4.9814 4.9814 6.5257 6.5257 6.8449 6.8449 7.8892 7.8892 9.0018 9.0018 9.0657 9.0657 9.1244 9.1244 12.0189 12.0189 12.8094 12.8094 13.0302 13.0302 13.1122 13.1122 14.2437 14.2437 k =-0.1653 0.3883 0.9701 ( 3651 PWs) bands (ev): -30.8866 -30.8866 -30.8817 -30.8817 -11.9779 -11.9779 -11.9622 -11.9622 -10.6069 -10.6069 -10.5917 -10.5917 -10.5304 -10.5304 -10.4831 -10.4831 0.7775 0.7775 1.6582 1.6582 3.1440 3.1440 5.0443 5.0443 6.4920 6.4920 6.8646 6.8646 7.9108 7.9108 9.0407 9.0407 9.1165 9.1165 9.1443 9.1443 12.0646 12.0646 12.7435 12.7435 12.8708 12.8708 13.1093 13.1093 14.2085 14.2085 k =-0.1716 0.4031 0.9540 ( 3657 PWs) bands (ev): -30.8869 -30.8869 -30.8818 -30.8818 -11.9774 -11.9774 -11.9611 -11.9611 -10.6065 -10.6065 -10.5914 -10.5914 -10.5292 -10.5292 -10.4807 -10.4807 0.7534 0.7534 1.6613 1.6613 3.1220 3.1220 5.1043 5.1043 6.4593 6.4593 6.8876 6.8876 7.9329 7.9329 9.0803 9.0803 9.1099 9.1099 9.2208 9.2208 12.1174 12.1174 12.6681 12.6681 12.7126 12.7126 13.1140 13.1140 14.1632 14.1632 k =-0.1779 0.4179 0.9379 ( 3657 PWs) bands (ev): -30.8872 -30.8872 -30.8819 -30.8819 -11.9769 -11.9769 -11.9601 -11.9601 -10.6061 -10.6061 -10.5911 -10.5911 -10.5278 -10.5278 -10.4783 -10.4783 0.7305 0.7305 1.6638 1.6638 3.1012 3.1012 5.1611 5.1611 6.4278 6.4278 6.9140 6.9140 7.9552 7.9552 9.0979 9.0979 9.1230 9.1230 9.2995 9.2995 12.1768 12.1768 12.5501 12.5501 12.5949 12.5949 13.1216 13.1216 14.1082 14.1082 k =-0.1842 0.4328 0.9218 ( 3659 PWs) bands (ev): -30.8875 -30.8875 -30.8820 -30.8820 -11.9764 -11.9764 -11.9592 -11.9592 -10.6058 -10.6058 -10.5910 -10.5910 -10.5263 -10.5263 -10.4760 -10.4760 0.7089 0.7089 1.6657 1.6657 3.0815 3.0815 5.2145 5.2145 6.3975 6.3975 6.9437 6.9437 7.9775 7.9775 9.0861 9.0861 9.1643 9.1643 9.3793 9.3793 12.2414 12.2414 12.3957 12.3957 12.5153 12.5153 13.1301 13.1301 14.0450 14.0450 k =-0.1906 0.4476 0.9056 ( 3649 PWs) bands (ev): -30.8877 -30.8877 -30.8821 -30.8821 -11.9759 -11.9759 -11.9583 -11.9583 -10.6056 -10.6056 -10.5909 -10.5909 -10.5247 -10.5247 -10.4737 -10.4737 0.6887 0.6887 1.6672 1.6672 3.0630 3.0630 5.2640 5.2640 6.3688 6.3688 6.9765 6.9765 7.9994 7.9994 9.0724 9.0724 9.2067 9.2067 9.4598 9.4598 12.2374 12.2374 12.3163 12.3163 12.4378 12.4378 13.1385 13.1385 13.9753 13.9753 k =-0.1969 0.4624 0.8895 ( 3641 PWs) bands (ev): -30.8880 -30.8880 -30.8822 -30.8822 -11.9754 -11.9754 -11.9574 -11.9574 -10.6054 -10.6054 -10.5910 -10.5910 -10.5231 -10.5231 -10.4715 -10.4715 0.6698 0.6698 1.6682 1.6682 3.0457 3.0457 5.3096 5.3096 6.3417 6.3417 7.0121 7.0121 8.0207 8.0207 9.0578 9.0578 9.2493 9.2493 9.5409 9.5409 12.0889 12.0889 12.3541 12.3541 12.3969 12.3969 13.1464 13.1464 13.9015 13.9015 k =-0.2032 0.4773 0.8734 ( 3643 PWs) bands (ev): -30.8882 -30.8882 -30.8823 -30.8823 -11.9750 -11.9750 -11.9567 -11.9567 -10.6053 -10.6053 -10.5910 -10.5910 -10.5215 -10.5215 -10.4694 -10.4694 0.6523 0.6523 1.6689 1.6689 3.0297 3.0297 5.3511 5.3511 6.3164 6.3164 7.0501 7.0501 8.0412 8.0412 9.0427 9.0427 9.2918 9.2918 9.6222 9.6222 11.9424 11.9424 12.2839 12.2839 12.4722 12.4722 13.1538 13.1538 13.8256 13.8256 k =-0.2095 0.4921 0.8573 ( 3645 PWs) bands (ev): -30.8884 -30.8884 -30.8824 -30.8824 -11.9746 -11.9746 -11.9559 -11.9559 -10.6052 -10.6052 -10.5911 -10.5911 -10.5199 -10.5199 -10.4674 -10.4674 0.6363 0.6363 1.6693 1.6693 3.0149 3.0149 5.3883 5.3883 6.2930 6.2930 7.0897 7.0897 8.0607 8.0607 9.0274 9.0274 9.3338 9.3338 9.7034 9.7034 11.8002 11.8002 12.2128 12.2128 12.5545 12.5545 13.1605 13.1605 13.7496 13.7496 k =-0.2158 0.5069 0.8411 ( 3649 PWs) bands (ev): -30.8886 -30.8886 -30.8825 -30.8825 -11.9742 -11.9742 -11.9553 -11.9553 -10.6052 -10.6052 -10.5912 -10.5912 -10.5184 -10.5184 -10.4655 -10.4655 0.6217 0.6217 1.6695 1.6695 3.0015 3.0015 5.4214 5.4214 6.2715 6.2715 7.1303 7.1303 8.0790 8.0790 9.0124 9.0124 9.3746 9.3746 9.7843 9.7843 11.6630 11.6630 12.1450 12.1450 12.6393 12.6393 13.1668 13.1668 13.6756 13.6756 k =-0.2221 0.5218 0.8250 ( 3641 PWs) bands (ev): -30.8888 -30.8888 -30.8826 -30.8826 -11.9738 -11.9738 -11.9547 -11.9547 -10.6052 -10.6052 -10.5913 -10.5913 -10.5169 -10.5169 -10.4638 -10.4638 0.6086 0.6086 1.6695 1.6695 2.9894 2.9894 5.4504 5.4504 6.2522 6.2522 7.1710 7.1710 8.0958 8.0958 8.9981 8.9981 9.4138 9.4138 9.8646 9.8646 11.5315 11.5315 12.0814 12.0814 12.7252 12.7252 13.1726 13.1726 13.6053 13.6053 k =-0.2285 0.5366 0.8089 ( 3639 PWs) bands (ev): -30.8890 -30.8890 -30.8827 -30.8827 -11.9735 -11.9735 -11.9541 -11.9541 -10.6053 -10.6053 -10.5914 -10.5914 -10.5156 -10.5156 -10.4622 -10.4622 0.5970 0.5970 1.6694 1.6694 2.9786 2.9786 5.4755 5.4755 6.2350 6.2350 7.2107 7.2107 8.1110 8.1110 8.9846 8.9846 9.4508 9.4508 9.9438 9.9438 11.4064 11.4064 12.0226 12.0226 12.8105 12.8105 13.1779 13.1779 13.5406 13.5406 k =-0.2348 0.5514 0.7928 ( 3639 PWs) bands (ev): -30.8891 -30.8891 -30.8827 -30.8827 -11.9733 -11.9733 -11.9537 -11.9537 -10.6053 -10.6053 -10.5915 -10.5915 -10.5144 -10.5144 -10.4609 -10.4609 0.5869 0.5869 1.6692 1.6692 2.9692 2.9692 5.4967 5.4967 6.2199 6.2199 7.2483 7.2483 8.1245 8.1245 8.9724 8.9724 9.4849 9.4849 10.0215 10.0215 11.2883 11.2883 11.9696 11.9696 12.8932 12.8932 13.1828 13.1828 13.4836 13.4836 k =-0.2411 0.5663 0.7767 ( 3633 PWs) bands (ev): -30.8892 -30.8892 -30.8828 -30.8828 -11.9730 -11.9730 -11.9533 -11.9533 -10.6054 -10.6054 -10.5916 -10.5916 -10.5133 -10.5133 -10.4597 -10.4597 0.5783 0.5783 1.6690 1.6690 2.9613 2.9613 5.5144 5.5144 6.2071 6.2071 7.2827 7.2827 8.1362 8.1362 8.9615 8.9615 9.5153 9.5153 10.0971 10.0971 11.1782 11.1782 11.9229 11.9229 12.9702 12.9702 13.1872 13.1872 13.4366 13.4366 k =-0.2474 0.5811 0.7605 ( 3629 PWs) bands (ev): -30.8893 -30.8893 -30.8828 -30.8828 -11.9728 -11.9728 -11.9529 -11.9529 -10.6055 -10.6055 -10.5917 -10.5917 -10.5125 -10.5125 -10.4587 -10.4587 0.5713 0.5713 1.6688 1.6688 2.9547 2.9547 5.5285 5.5285 6.1966 6.1966 7.3127 7.3127 8.1458 8.1458 8.9523 8.9523 9.5414 9.5414 10.1694 10.1694 11.0774 11.0774 11.8835 11.8835 13.0372 13.0372 13.1909 13.1909 13.4027 13.4027 k =-0.2537 0.5959 0.7444 ( 3634 PWs) bands (ev): -30.8894 -30.8894 -30.8829 -30.8829 -11.9727 -11.9727 -11.9527 -11.9527 -10.6055 -10.6055 -10.5918 -10.5918 -10.5118 -10.5118 -10.4579 -10.4579 0.5658 0.5658 1.6685 1.6685 2.9496 2.9496 5.5393 5.5393 6.1884 6.1884 7.3374 7.3374 8.1534 8.1534 8.9450 8.9450 9.5626 9.5626 10.2364 10.2364 10.9880 10.9880 11.8519 11.8519 13.0885 13.0885 13.1939 13.1939 13.3849 13.3849 k =-0.2600 0.6108 0.7283 ( 3634 PWs) bands (ev): -30.8895 -30.8895 -30.8829 -30.8829 -11.9726 -11.9726 -11.9525 -11.9525 -10.6056 -10.6056 -10.5919 -10.5919 -10.5112 -10.5112 -10.4573 -10.4573 0.5619 0.5619 1.6684 1.6684 2.9459 2.9459 5.5469 5.5469 6.1826 6.1826 7.3558 7.3558 8.1589 8.1589 8.9396 8.9396 9.5781 9.5781 10.2942 10.2942 10.9141 10.9141 11.8289 11.8289 13.1204 13.1204 13.1962 13.1962 13.3828 13.3828 k =-0.2663 0.6256 0.7122 ( 3638 PWs) bands (ev): -30.8895 -30.8895 -30.8829 -30.8829 -11.9725 -11.9725 -11.9524 -11.9524 -10.6056 -10.6056 -10.5919 -10.5919 -10.5109 -10.5109 -10.4570 -10.4570 0.5596 0.5596 1.6683 1.6683 2.9437 2.9437 5.5514 5.5514 6.1790 6.1790 7.3671 7.3671 8.1622 8.1622 8.9363 8.9363 9.5876 9.5876 10.3357 10.3357 10.8629 10.8629 11.8149 11.8149 13.1353 13.1353 13.1976 13.1976 13.3891 13.3891 k =-0.2727 0.6404 0.6961 ( 3638 PWs) bands (ev): -30.8895 -30.8895 -30.8829 -30.8829 -11.9725 -11.9725 -11.9523 -11.9523 -10.6056 -10.6056 -10.5919 -10.5919 -10.5108 -10.5108 -10.4569 -10.4569 0.5588 0.5588 1.6682 1.6682 2.9430 2.9430 5.5529 5.5529 6.1779 6.1779 7.3710 7.3710 8.1633 8.1633 8.9351 8.9351 9.5908 9.5908 10.3514 10.3514 10.8440 10.8440 11.8103 11.8103 13.1394 13.1394 13.1980 13.1980 13.3928 13.3928 k =-0.2727 0.6404 0.6961 ( 3638 PWs) bands (ev): -30.8895 -30.8895 -30.8829 -30.8829 -11.9725 -11.9725 -11.9523 -11.9523 -10.6056 -10.6056 -10.5919 -10.5919 -10.5108 -10.5108 -10.4569 -10.4569 0.5588 0.5588 1.6682 1.6682 2.9430 2.9430 5.5529 5.5529 6.1779 6.1779 7.3710 7.3710 8.1633 8.1633 8.9351 8.9351 9.5908 9.5908 10.3514 10.3514 10.8440 10.8440 11.8103 11.8103 13.1394 13.1394 13.1980 13.1980 13.3928 13.3928 k =-0.2663 0.6255 0.6799 ( 3634 PWs) bands (ev): -30.8896 -30.8896 -30.8827 -30.8827 -11.9735 -11.9735 -11.9521 -11.9521 -10.6065 -10.6065 -10.5928 -10.5928 -10.5113 -10.5113 -10.4558 -10.4558 0.5532 0.5532 1.7504 1.7504 2.8630 2.8630 5.5141 5.5141 6.1922 6.1922 7.3675 7.3675 8.1832 8.1832 8.9620 8.9620 9.5504 9.5504 10.4358 10.4358 10.8576 10.8576 11.7250 11.7250 13.1205 13.1205 13.1298 13.1298 13.3155 13.3155 k =-0.2600 0.6106 0.6637 ( 3628 PWs) bands (ev): -30.8898 -30.8898 -30.8825 -30.8825 -11.9744 -11.9744 -11.9516 -11.9516 -10.6074 -10.6074 -10.5933 -10.5933 -10.5119 -10.5119 -10.4547 -10.4547 0.5437 0.5437 1.8330 1.8330 2.7872 2.7872 5.4740 5.4740 6.2099 6.2099 7.3652 7.3652 8.2052 8.2052 8.9949 8.9949 9.5122 9.5122 10.5221 10.5221 10.8702 10.8702 11.6418 11.6418 13.0640 13.0640 13.0895 13.0895 13.2413 13.2413 k =-0.2536 0.5957 0.6475 ( 3628 PWs) bands (ev): -30.8899 -30.8899 -30.8823 -30.8823 -11.9752 -11.9752 -11.9511 -11.9511 -10.6082 -10.6082 -10.5934 -10.5934 -10.5124 -10.5124 -10.4537 -10.4537 0.5303 0.5303 1.9159 1.9159 2.7157 2.7157 5.4334 5.4334 6.2311 6.2311 7.3642 7.3642 8.2290 8.2290 9.0335 9.0335 9.4762 9.4762 10.6103 10.6103 10.8817 10.8817 11.5608 11.5608 13.0008 13.0008 13.0485 13.0485 13.1703 13.1703 k =-0.2473 0.5809 0.6313 ( 3628 PWs) bands (ev): -30.8901 -30.8901 -30.8822 -30.8822 -11.9760 -11.9760 -11.9504 -11.9504 -10.6089 -10.6089 -10.5931 -10.5931 -10.5130 -10.5130 -10.4527 -10.4527 0.5129 0.5129 1.9987 1.9987 2.6485 2.6485 5.3928 5.3928 6.2559 6.2559 7.3643 7.3643 8.2545 8.2545 9.0773 9.0773 9.4423 9.4423 10.7003 10.7003 10.8920 10.8920 11.4823 11.4823 12.9404 12.9404 13.0006 13.0006 13.1027 13.1027 k =-0.2410 0.5660 0.6151 ( 3628 PWs) bands (ev): -30.8902 -30.8902 -30.8820 -30.8820 -11.9766 -11.9766 -11.9495 -11.9495 -10.6095 -10.6095 -10.5924 -10.5924 -10.5136 -10.5136 -10.4517 -10.4517 0.4916 0.4916 2.0811 2.0811 2.5858 2.5858 5.3529 5.3529 6.2843 6.2843 7.3657 7.3657 8.2815 8.2815 9.1261 9.1261 9.4104 9.4104 10.7917 10.7917 10.9010 10.9010 11.4067 11.4067 12.8830 12.8830 12.9483 12.9483 13.0388 13.0388 k =-0.2346 0.5511 0.5989 ( 3630 PWs) bands (ev): -30.8904 -30.8904 -30.8819 -30.8819 -11.9772 -11.9772 -11.9486 -11.9486 -10.6100 -10.6100 -10.5913 -10.5913 -10.5141 -10.5141 -10.4508 -10.4508 0.4663 0.4663 2.1627 2.1627 2.5274 2.5274 5.3145 5.3145 6.3164 6.3164 7.3682 7.3682 8.3097 8.3097 9.1792 9.1792 9.3804 9.3804 10.8844 10.8844 10.9086 10.9086 11.3340 11.3340 12.8289 12.8289 12.8941 12.8941 12.9788 12.9788 k =-0.2283 0.5362 0.5827 ( 3636 PWs) bands (ev): -30.8906 -30.8906 -30.8818 -30.8818 -11.9777 -11.9777 -11.9474 -11.9474 -10.6105 -10.6105 -10.5899 -10.5899 -10.5147 -10.5147 -10.4499 -10.4499 0.4372 0.4372 2.2430 2.2430 2.4733 2.4733 5.2783 5.2783 6.3521 6.3521 7.3719 7.3719 8.3389 8.3389 9.2363 9.2363 9.3522 9.3522 10.9142 10.9142 10.9786 10.9786 11.2647 11.2647 12.7781 12.7781 12.8399 12.8399 12.9231 12.9231 k =-0.2219 0.5213 0.5666 ( 3636 PWs) bands (ev): -30.8909 -30.8909 -30.8817 -30.8817 -11.9780 -11.9780 -11.9462 -11.9462 -10.6108 -10.6108 -10.5881 -10.5881 -10.5152 -10.5152 -10.4490 -10.4490 0.4045 0.4045 2.3212 2.3212 2.4236 2.4236 5.2452 5.2452 6.3917 6.3917 7.3768 7.3768 8.3690 8.3690 9.2968 9.2968 9.3259 9.3259 10.9182 10.9182 11.0728 11.0728 11.1993 11.1993 12.7308 12.7308 12.7873 12.7873 12.8721 12.8721 k =-0.2156 0.5064 0.5504 ( 3632 PWs) bands (ev): -30.8911 -30.8911 -30.8816 -30.8816 -11.9784 -11.9784 -11.9448 -11.9448 -10.6110 -10.6110 -10.5860 -10.5860 -10.5157 -10.5157 -10.4482 -10.4482 0.3685 0.3685 2.3731 2.3731 2.4019 2.4019 5.2159 5.2159 6.4349 6.4349 7.3827 7.3827 8.3995 8.3995 9.3007 9.3007 9.3606 9.3606 10.9201 10.9201 11.1319 11.1319 11.1731 11.1731 12.6873 12.6873 12.7377 12.7377 12.8261 12.8261 k =-0.2092 0.4915 0.5342 ( 3642 PWs) bands (ev): -30.8914 -30.8914 -30.8816 -30.8816 -11.9786 -11.9786 -11.9433 -11.9433 -10.6111 -10.6111 -10.5836 -10.5836 -10.5162 -10.5162 -10.4475 -10.4475 0.3295 0.3295 2.3333 2.3333 2.4726 2.4726 5.1914 5.1914 6.4818 6.4818 7.3896 7.3896 8.4304 8.4304 9.2774 9.2774 9.4265 9.4265 10.9199 10.9199 11.0764 11.0764 11.2654 11.2654 12.6475 12.6475 12.6924 12.6924 12.7857 12.7857 k =-0.2029 0.4766 0.5180 ( 3634 PWs) bands (ev): -30.8917 -30.8917 -30.8815 -30.8815 -11.9787 -11.9787 -11.9417 -11.9417 -10.6111 -10.6111 -10.5810 -10.5810 -10.5166 -10.5166 -10.4468 -10.4468 0.2878 0.2878 2.2943 2.2943 2.5423 2.5423 5.1725 5.1725 6.5324 6.5324 7.3976 7.3976 8.4611 8.4611 9.2555 9.2555 9.4942 9.4942 10.9175 10.9175 11.0221 11.0221 11.3598 11.3598 12.6118 12.6118 12.6522 12.6522 12.7515 12.7515 k =-0.1966 0.4617 0.5018 ( 3634 PWs) bands (ev): -30.8919 -30.8919 -30.8815 -30.8815 -11.9788 -11.9788 -11.9400 -11.9400 -10.6110 -10.6110 -10.5781 -10.5781 -10.5169 -10.5169 -10.4461 -10.4461 0.2437 0.2437 2.2584 2.2584 2.6079 2.6079 5.1601 5.1601 6.5865 6.5865 7.4065 7.4065 8.4916 8.4916 9.2349 9.2349 9.5629 9.5629 10.9129 10.9129 10.9719 10.9719 11.4530 11.4530 12.5802 12.5802 12.6179 12.6179 12.7244 12.7244 k =-0.1902 0.4468 0.4856 ( 3638 PWs) bands (ev): -30.8922 -30.8922 -30.8815 -30.8815 -11.9788 -11.9788 -11.9382 -11.9382 -10.6108 -10.6108 -10.5749 -10.5749 -10.5172 -10.5172 -10.4455 -10.4455 0.1976 0.1976 2.2252 2.2252 2.6686 2.6686 5.1552 5.1552 6.6442 6.6442 7.4162 7.4162 8.5214 8.5214 9.2155 9.2155 9.6316 9.6316 10.9058 10.9058 10.9270 10.9270 11.5439 11.5439 12.5528 12.5528 12.5902 12.5902 12.7054 12.7054 k =-0.1839 0.4319 0.4694 ( 3638 PWs) bands (ev): -30.8926 -30.8926 -30.8815 -30.8815 -11.9787 -11.9787 -11.9363 -11.9363 -10.6105 -10.6105 -10.5716 -10.5716 -10.5173 -10.5173 -10.4449 -10.4449 0.1499 0.1499 2.1947 2.1947 2.7237 2.7237 5.1584 5.1584 6.7052 6.7052 7.4267 7.4267 8.5502 8.5502 9.1971 9.1971 9.6993 9.6993 10.8816 10.8816 10.9026 10.9026 11.6312 11.6312 12.5298 12.5298 12.5694 12.5694 12.6957 12.6957 k =-0.1775 0.4170 0.4532 ( 3638 PWs) bands (ev): -30.8929 -30.8929 -30.8815 -30.8815 -11.9786 -11.9786 -11.9344 -11.9344 -10.6102 -10.6102 -10.5680 -10.5680 -10.5174 -10.5174 -10.4444 -10.4444 0.1009 0.1009 2.1664 2.1664 2.7726 2.7726 5.1707 5.1707 6.7696 6.7696 7.4379 7.4379 8.5779 8.5779 9.1799 9.1799 9.7647 9.7647 10.8455 10.8455 10.8950 10.8950 11.7134 11.7134 12.5113 12.5113 12.5556 12.5556 12.6968 12.6968 k =-0.1712 0.4021 0.4371 ( 3640 PWs) bands (ev): -30.8932 -30.8932 -30.8816 -30.8816 -11.9784 -11.9784 -11.9323 -11.9323 -10.6098 -10.6098 -10.5642 -10.5642 -10.5173 -10.5173 -10.4439 -10.4439 0.0511 0.0511 2.1403 2.1403 2.8150 2.8150 5.1924 5.1924 6.8372 6.8372 7.4498 7.4498 8.6040 8.6040 9.1635 9.1635 9.8260 9.8260 10.8132 10.8132 10.8900 10.8900 11.7890 11.7890 12.4973 12.4973 12.5488 12.5488 12.7102 12.7102 k =-0.1649 0.3872 0.4209 ( 3640 PWs) bands (ev): -30.8935 -30.8935 -30.8816 -30.8816 -11.9782 -11.9782 -11.9303 -11.9303 -10.6094 -10.6094 -10.5603 -10.5603 -10.5171 -10.5171 -10.4434 -10.4434 0.0008 0.0008 2.1160 2.1160 2.8504 2.8504 5.2241 5.2241 6.9078 6.9078 7.4621 7.4621 8.6283 8.6283 9.1480 9.1480 9.8813 9.8813 10.7853 10.7853 10.8890 10.8890 11.8565 11.8565 12.4879 12.4879 12.5487 12.5487 12.7373 12.7373 k =-0.1585 0.3723 0.4047 ( 3638 PWs) bands (ev): -30.8939 -30.8939 -30.8817 -30.8817 -11.9779 -11.9779 -11.9281 -11.9281 -10.6090 -10.6090 -10.5563 -10.5563 -10.5167 -10.5167 -10.4430 -10.4430 -0.0498 -0.0498 2.0934 2.0934 2.8788 2.8788 5.2659 5.2659 6.9813 6.9813 7.4750 7.4750 8.6506 8.6506 9.1333 9.1333 9.9284 9.9284 10.7620 10.7620 10.8942 10.8942 11.9151 11.9151 12.4832 12.4832 12.5546 12.5546 12.7789 12.7789 k =-0.1522 0.3574 0.3885 ( 3652 PWs) bands (ev): -30.8942 -30.8942 -30.8817 -30.8817 -11.9775 -11.9775 -11.9260 -11.9260 -10.6086 -10.6086 -10.5521 -10.5521 -10.5162 -10.5162 -10.4426 -10.4426 -0.1003 -0.1003 2.0723 2.0723 2.9004 2.9004 5.3178 5.3178 7.0576 7.0576 7.4882 7.4882 8.6706 8.6706 9.1193 9.1193 9.9649 9.9649 10.7430 10.7430 10.9080 10.9080 11.9648 11.9648 12.4831 12.4831 12.5659 12.5659 12.8348 12.8348 k =-0.1458 0.3426 0.3723 ( 3648 PWs) bands (ev): -30.8946 -30.8946 -30.8818 -30.8818 -11.9772 -11.9772 -11.9238 -11.9238 -10.6082 -10.6082 -10.5479 -10.5479 -10.5155 -10.5155 -10.4422 -10.4422 -0.1505 -0.1505 2.0526 2.0526 2.9155 2.9155 5.3795 5.3795 7.1364 7.1364 7.5016 7.5016 8.6884 8.6884 9.1059 9.1059 9.9893 9.9893 10.7281 10.7281 10.9322 10.9322 12.0065 12.0065 12.4879 12.4879 12.5815 12.5815 12.9040 12.9040 k =-0.1395 0.3277 0.3561 ( 3628 PWs) bands (ev): -30.8949 -30.8949 -30.8819 -30.8819 -11.9768 -11.9768 -11.9216 -11.9216 -10.6079 -10.6079 -10.5436 -10.5436 -10.5146 -10.5146 -10.4419 -10.4419 -0.2000 -0.2000 2.0340 2.0340 2.9244 2.9244 5.4505 5.4505 7.2175 7.2175 7.5152 7.5152 8.7037 8.7037 9.0931 9.0931 10.0006 10.0006 10.7171 10.7171 10.9681 10.9681 12.0420 12.0420 12.4975 12.4975 12.5997 12.5997 12.9846 12.9846 k =-0.1332 0.3128 0.3399 ( 3628 PWs) bands (ev): -30.8953 -30.8953 -30.8820 -30.8820 -11.9764 -11.9764 -11.9194 -11.9194 -10.6076 -10.6076 -10.5392 -10.5392 -10.5136 -10.5136 -10.4416 -10.4416 -0.2486 -0.2486 2.0166 2.0166 2.9280 2.9280 5.5303 5.5303 7.3007 7.3007 7.5290 7.5290 8.7165 8.7165 9.0809 9.0809 9.9992 9.9992 10.7095 10.7095 11.0153 11.0153 12.0732 12.0732 12.5118 12.5118 12.6179 12.6179 13.0685 13.0685 k =-0.1268 0.2979 0.3237 ( 3648 PWs) bands (ev): -30.8956 -30.8956 -30.8821 -30.8821 -11.9759 -11.9759 -11.9173 -11.9173 -10.6074 -10.6074 -10.5349 -10.5349 -10.5124 -10.5124 -10.4413 -10.4413 -0.2962 -0.2962 2.0002 2.0002 2.9267 2.9267 5.6181 5.6181 7.3858 7.3858 7.5427 7.5427 8.7271 8.7271 9.0691 9.0691 9.9863 9.9863 10.7046 10.7046 11.0726 11.0726 12.1018 12.1018 12.5309 12.5309 12.6313 12.6313 13.0059 13.0059 k =-0.1205 0.2830 0.3076 ( 3644 PWs) bands (ev): -30.8960 -30.8960 -30.8822 -30.8822 -11.9755 -11.9755 -11.9152 -11.9152 -10.6072 -10.6072 -10.5306 -10.5306 -10.5110 -10.5110 -10.4410 -10.4410 -0.3426 -0.3426 1.9848 1.9848 2.9214 2.9214 5.7134 5.7134 7.4723 7.4723 7.5564 7.5564 8.7353 8.7353 9.0579 9.0579 9.9636 9.9636 10.7018 10.7018 11.1384 11.1384 12.1295 12.1295 12.5548 12.5548 12.6292 12.6292 12.9391 12.9391 k =-0.1141 0.2681 0.2914 ( 3648 PWs) bands (ev): -30.8963 -30.8963 -30.8823 -30.8823 -11.9750 -11.9750 -11.9131 -11.9131 -10.6071 -10.6071 -10.5264 -10.5264 -10.5095 -10.5095 -10.4408 -10.4408 -0.3875 -0.3875 1.9703 1.9703 2.9128 2.9128 5.8152 5.8152 7.5582 7.5582 7.5718 7.5718 8.7416 8.7416 9.0471 9.0471 9.9331 9.9331 10.7004 10.7004 11.2105 11.2105 12.1576 12.1576 12.5826 12.5826 12.5940 12.5940 12.8802 12.8802 k =-0.1078 0.2532 0.2752 ( 3644 PWs) bands (ev): -30.8966 -30.8966 -30.8824 -30.8824 -11.9746 -11.9746 -11.9110 -11.9110 -10.6070 -10.6070 -10.5223 -10.5223 -10.5078 -10.5078 -10.4405 -10.4405 -0.4307 -0.4307 1.9566 1.9566 2.9015 2.9015 5.9229 5.9229 7.5821 7.5821 7.6500 7.6500 8.7460 8.7460 9.0368 9.0368 9.8963 9.8963 10.6995 10.6995 11.2871 11.2871 12.1869 12.1869 12.5136 12.5136 12.6169 12.6169 12.8304 12.8304 k =-0.1015 0.2383 0.2590 ( 3636 PWs) bands (ev): -30.8969 -30.8969 -30.8825 -30.8825 -11.9741 -11.9741 -11.9090 -11.9090 -10.6071 -10.6071 -10.5184 -10.5184 -10.5059 -10.5059 -10.4403 -10.4403 -0.4722 -0.4722 1.9437 1.9437 2.8881 2.8881 6.0357 6.0357 7.5950 7.5950 7.7393 7.7393 8.7490 8.7490 9.0269 9.0269 9.8545 9.8545 10.6984 10.6984 11.3665 11.3665 12.2182 12.2182 12.4046 12.4046 12.6547 12.6547 12.7863 12.7863 k =-0.0951 0.2234 0.2428 ( 3634 PWs) bands (ev): -30.8972 -30.8972 -30.8827 -30.8827 -11.9737 -11.9737 -11.9071 -11.9071 -10.6071 -10.6071 -10.5147 -10.5147 -10.5039 -10.5039 -10.4400 -10.4400 -0.5118 -0.5118 1.9316 1.9316 2.8732 2.8732 6.1529 6.1529 7.6073 7.6073 7.8288 7.8288 8.7509 8.7509 9.0176 9.0176 9.8088 9.8088 10.6963 10.6963 11.4469 11.4469 12.2507 12.2507 12.2816 12.2816 12.6963 12.6963 12.7491 12.7491 k =-0.0888 0.2085 0.2266 ( 3642 PWs) bands (ev): -30.8975 -30.8975 -30.8828 -30.8828 -11.9732 -11.9732 -11.9053 -11.9053 -10.6072 -10.6072 -10.5113 -10.5113 -10.5017 -10.5017 -10.4397 -10.4397 -0.5494 -0.5494 1.9203 1.9203 2.8574 2.8574 6.2738 6.2738 7.6191 7.6191 7.9179 7.9179 8.7520 8.7520 9.0086 9.0086 9.7599 9.7599 10.6924 10.6924 11.5270 11.5270 12.1484 12.1484 12.2894 12.2894 12.7137 12.7137 12.7471 12.7471 k =-0.0824 0.1936 0.2104 ( 3642 PWs) bands (ev): -30.8978 -30.8978 -30.8829 -30.8829 -11.9728 -11.9728 -11.9035 -11.9035 -10.6074 -10.6074 -10.5081 -10.5081 -10.4994 -10.4994 -10.4395 -10.4395 -0.5849 -0.5849 1.9098 1.9098 2.8410 2.8410 6.3977 6.3977 7.6303 7.6303 8.0059 8.0059 8.7529 8.7529 9.0002 9.0002 9.7083 9.7083 10.6862 10.6862 11.6053 11.6053 12.0144 12.0144 12.3291 12.3291 12.6900 12.6900 12.7968 12.7968 k =-0.0761 0.1787 0.1942 ( 3646 PWs) bands (ev): -30.8981 -30.8981 -30.8830 -30.8830 -11.9724 -11.9724 -11.9019 -11.9019 -10.6076 -10.6076 -10.5053 -10.5053 -10.4970 -10.4970 -10.4392 -10.4392 -0.6181 -0.6181 1.9000 1.9000 2.8246 2.8246 6.5239 6.5239 7.6409 7.6409 8.0919 8.0919 8.7540 8.7540 8.9923 8.9923 9.6543 9.6543 10.6771 10.6771 11.6803 11.6803 11.8805 11.8805 12.3721 12.3721 12.6707 12.6707 12.8520 12.8520 k =-0.0697 0.1638 0.1781 ( 3648 PWs) bands (ev): -30.8984 -30.8984 -30.8831 -30.8831 -11.9720 -11.9720 -11.9003 -11.9003 -10.6078 -10.6078 -10.5027 -10.5027 -10.4945 -10.4945 -10.4389 -10.4389 -0.6489 -0.6489 1.8910 1.8910 2.8083 2.8083 6.6515 6.6515 7.6507 7.6507 8.1751 8.1751 8.7561 8.7561 8.9850 8.9850 9.5980 9.5980 10.6650 10.6650 11.7363 11.7363 11.7636 11.7636 12.4184 12.4184 12.6561 12.6561 12.9113 12.9113 k =-0.0634 0.1489 0.1619 ( 3656 PWs) bands (ev): -30.8986 -30.8986 -30.8832 -30.8832 -11.9717 -11.9717 -11.8989 -11.8989 -10.6081 -10.6081 -10.5005 -10.5005 -10.4920 -10.4920 -10.4386 -10.4386 -0.6774 -0.6774 1.8828 1.8828 2.7926 2.7926 6.7798 6.7798 7.6599 7.6599 8.2539 8.2539 8.7600 8.7600 8.9782 8.9782 9.5394 9.5394 10.6498 10.6498 11.6184 11.6184 11.8195 11.8195 12.4678 12.4678 12.6455 12.6455 12.9745 12.9745 k =-0.0571 0.1340 0.1457 ( 3654 PWs) bands (ev): -30.8988 -30.8988 -30.8833 -30.8833 -11.9713 -11.9713 -11.8976 -11.8976 -10.6083 -10.6083 -10.4984 -10.4984 -10.4897 -10.4897 -10.4383 -10.4383 -0.7034 -0.7034 1.8753 1.8753 2.7777 2.7777 6.9077 6.9077 7.6683 7.6683 8.3269 8.3269 8.7668 8.7668 8.9720 8.9720 9.4786 9.4786 10.6318 10.6318 11.4967 11.4967 11.8790 11.8790 12.5201 12.5201 12.6377 12.6377 13.0412 13.0412 k =-0.0507 0.1191 0.1295 ( 3650 PWs) bands (ev): -30.8990 -30.8990 -30.8834 -30.8834 -11.9710 -11.9710 -11.8964 -11.8964 -10.6085 -10.6085 -10.4966 -10.4966 -10.4876 -10.4876 -10.4380 -10.4380 -0.7268 -0.7268 1.8686 1.8686 2.7638 2.7638 7.0341 7.0341 7.6759 7.6759 8.3920 8.3920 8.7777 8.7777 8.9665 8.9665 9.4158 9.4158 10.6114 10.6114 11.3826 11.3826 11.9320 11.9320 12.5746 12.5746 12.6318 12.6318 13.1110 13.1110 k =-0.0444 0.1043 0.1133 ( 3650 PWs) bands (ev): -30.8992 -30.8992 -30.8835 -30.8835 -11.9708 -11.9708 -11.8953 -11.8953 -10.6088 -10.6088 -10.4949 -10.4949 -10.4857 -10.4857 -10.4376 -10.4376 -0.7476 -0.7476 1.8626 1.8626 2.7512 2.7512 7.1576 7.1576 7.6827 7.6827 8.4472 8.4472 8.7938 8.7938 8.9617 8.9617 9.3512 9.3512 10.5893 10.5893 11.2778 11.2778 11.9780 11.9780 12.6208 12.6208 12.6371 12.6371 13.1834 13.1834 k =-0.0380 0.0894 0.0971 ( 3652 PWs) bands (ev): -30.8993 -30.8993 -30.8835 -30.8835 -11.9705 -11.9705 -11.8944 -11.8944 -10.6090 -10.6090 -10.4935 -10.4935 -10.4840 -10.4840 -10.4373 -10.4373 -0.7657 -0.7657 1.8574 1.8574 2.7399 2.7399 7.2763 7.2763 7.6887 7.6887 8.4909 8.4909 8.8156 8.8156 8.9577 8.9577 9.2857 9.2857 10.5663 10.5663 11.1839 11.1839 12.0168 12.0168 12.6188 12.6188 12.6918 12.6918 13.2578 13.2578 k =-0.0317 0.0745 0.0809 ( 3648 PWs) bands (ev): -30.8995 -30.8995 -30.8836 -30.8836 -11.9703 -11.9703 -11.8936 -11.8936 -10.6092 -10.6092 -10.4922 -10.4922 -10.4825 -10.4825 -10.4370 -10.4370 -0.7811 -0.7811 1.8531 1.8531 2.7302 2.7302 7.3879 7.3879 7.6938 7.6938 8.5232 8.5232 8.8418 8.8418 8.9547 8.9547 9.2207 9.2207 10.5436 10.5436 11.1023 11.1023 12.0486 12.0486 12.6132 12.6132 12.7499 12.7499 13.3331 13.3331 k =-0.0254 0.0596 0.0647 ( 3641 PWs) bands (ev): -30.8996 -30.8996 -30.8836 -30.8836 -11.9701 -11.9701 -11.8929 -11.8929 -10.6093 -10.6093 -10.4912 -10.4912 -10.4814 -10.4814 -10.4367 -10.4367 -0.7938 -0.7938 1.8495 1.8495 2.7220 2.7220 7.4891 7.4891 7.6983 7.6983 8.5453 8.5453 8.8692 8.8692 8.9531 8.9531 9.1585 9.1585 10.5224 10.5224 11.0342 11.0342 12.0737 12.0737 12.6073 12.6073 12.8064 12.8064 13.4075 13.4075 k =-0.0190 0.0447 0.0486 ( 3635 PWs) bands (ev): -30.8996 -30.8996 -30.8837 -30.8837 -11.9700 -11.9700 -11.8924 -11.8924 -10.6095 -10.6095 -10.4903 -10.4903 -10.4805 -10.4805 -10.4365 -10.4365 -0.8036 -0.8036 1.8467 1.8467 2.7156 2.7156 7.5759 7.5759 7.7021 7.7021 8.5598 8.5598 8.8935 8.8935 8.9535 8.9535 9.1024 9.1024 10.5040 10.5040 10.9804 10.9804 12.0926 12.0926 12.6017 12.6017 12.8583 12.8583 13.4781 13.4781 k =-0.0127 0.0298 0.0324 ( 3629 PWs) bands (ev): -30.8997 -30.8997 -30.8837 -30.8837 -11.9699 -11.9699 -11.8920 -11.8920 -10.6095 -10.6095 -10.4897 -10.4897 -10.4798 -10.4798 -10.4363 -10.4363 -0.8107 -0.8107 1.8446 1.8446 2.7110 2.7110 7.6424 7.6424 7.7061 7.7061 8.5686 8.5686 8.9104 8.9104 8.9566 8.9566 9.0570 9.0570 10.4897 10.4897 10.9415 10.9415 12.1058 12.1058 12.5970 12.5970 12.9016 12.9016 13.5398 13.5398 k =-0.0063 0.0149 0.0162 ( 3625 PWs) bands (ev): -30.8997 -30.8997 -30.8837 -30.8837 -11.9699 -11.9699 -11.8918 -11.8918 -10.6096 -10.6096 -10.4894 -10.4894 -10.4795 -10.4795 -10.4362 -10.4362 -0.8150 -0.8150 1.8434 1.8434 2.7082 2.7082 7.6810 7.6810 7.7128 7.7128 8.5733 8.5733 8.9186 8.9186 8.9614 8.9614 9.0271 9.0271 10.4806 10.4806 10.9181 10.9181 12.1135 12.1135 12.5940 12.5940 12.9310 12.9310 13.5832 13.5832 k = 0.0000 0.0000 0.0000 ( 3607 PWs) bands (ev): -30.8997 -30.8997 -30.8837 -30.8837 -11.9698 -11.9698 -11.8917 -11.8917 -10.6096 -10.6096 -10.4892 -10.4892 -10.4793 -10.4793 -10.4362 -10.4362 -0.8164 -0.8164 1.8430 1.8430 2.7073 2.7073 7.6906 7.6906 7.7189 7.7189 8.5748 8.5748 8.9207 8.9207 8.9636 8.9636 9.0167 9.0167 10.4775 10.4775 10.9102 10.9102 12.1160 12.1160 12.5929 12.5929 12.9416 12.9416 13.5958 13.5959 k = 0.0000 0.0000 0.0000 ( 3607 PWs) bands (ev): -30.8997 -30.8997 -30.8837 -30.8837 -11.9698 -11.9698 -11.8917 -11.8917 -10.6096 -10.6096 -10.4892 -10.4892 -10.4793 -10.4793 -10.4362 -10.4362 -0.8164 -0.8164 1.8430 1.8430 2.7073 2.7073 7.6906 7.6906 7.7189 7.7189 8.5748 8.5748 8.9207 8.9207 8.9636 8.9636 9.0167 9.0167 10.4775 10.4775 10.9102 10.9102 12.1160 12.1160 12.5929 12.5929 12.9416 12.9416 13.5958 13.5959 k = 0.0208 0.0089 0.0000 ( 3619 PWs) bands (ev): -30.8997 -30.8997 -30.8837 -30.8837 -11.9697 -11.9697 -11.8918 -11.8918 -10.6095 -10.6095 -10.4892 -10.4892 -10.4793 -10.4793 -10.4364 -10.4364 -0.8149 -0.8149 1.8285 1.8285 2.7237 2.7237 7.6907 7.6907 7.7190 7.7190 8.5608 8.5608 8.9209 8.9209 8.9636 8.9636 9.0208 9.0208 10.4583 10.4583 10.9317 10.9317 12.1175 12.1175 12.6051 12.6051 12.9425 12.9425 13.5480 13.5480 k = 0.0417 0.0177 0.0000 ( 3623 PWs) bands (ev): -30.8997 -30.8997 -30.8838 -30.8838 -11.9695 -11.9695 -11.8921 -11.8921 -10.6090 -10.6090 -10.4893 -10.4893 -10.4793 -10.4793 -10.4369 -10.4369 -0.8104 -0.8104 1.7876 1.7876 2.7699 2.7699 7.6911 7.6911 7.7192 7.7192 8.5210 8.5210 8.9212 8.9212 8.9635 8.9635 9.0313 9.0313 10.4092 10.4092 10.9875 10.9875 12.1225 12.1225 12.6409 12.6409 12.9455 12.9455 13.4738 13.4741 k = 0.0625 0.0266 0.0000 ( 3627 PWs) bands (ev): -30.8996 -30.8996 -30.8839 -30.8839 -11.9690 -11.9690 -11.8924 -11.8924 -10.6082 -10.6082 -10.4893 -10.4893 -10.4793 -10.4793 -10.4378 -10.4378 -0.8030 -0.8030 1.7272 1.7272 2.8393 2.8393 7.6917 7.6917 7.7195 7.7195 8.4593 8.4593 8.9216 8.9216 8.9633 8.9633 9.0449 9.0449 10.3442 10.3442 11.0638 11.0638 12.1324 12.1324 12.6977 12.6977 12.9503 12.9503 13.3964 13.3965 k = 0.0833 0.0355 0.0000 ( 3639 PWs) bands (ev): -30.8995 -30.8995 -30.8840 -30.8840 -11.9684 -11.9684 -11.8930 -11.8930 -10.6071 -10.6071 -10.4894 -10.4894 -10.4793 -10.4793 -10.4391 -10.4391 -0.7925 -0.7925 1.6536 1.6536 2.9255 2.9255 7.6925 7.6925 7.7199 7.7199 8.3802 8.3802 8.9222 8.9222 8.9631 8.9631 9.0587 9.0587 10.2723 10.2723 11.1514 11.1514 12.1489 12.1489 12.7724 12.7724 12.9571 12.9571 13.3186 13.3187 k = 0.1042 0.0443 0.0000 ( 3639 PWs) bands (ev): -30.8993 -30.8993 -30.8841 -30.8841 -11.9677 -11.9677 -11.8937 -11.8937 -10.6057 -10.6057 -10.4894 -10.4894 -10.4793 -10.4793 -10.4407 -10.4407 -0.7792 -0.7792 1.5719 1.5719 3.0235 3.0235 7.6936 7.6936 7.7204 7.7204 8.2869 8.2869 8.9228 8.9228 8.9628 8.9628 9.0708 9.0708 10.1978 10.1978 11.2458 11.2458 12.1728 12.1728 12.8616 12.8616 12.9659 12.9659 13.2417 13.2417 k = 0.1250 0.0532 0.0000 ( 3639 PWs) bands (ev): -30.8991 -30.8991 -30.8843 -30.8843 -11.9667 -11.9667 -11.8946 -11.8946 -10.6039 -10.6039 -10.4896 -10.4896 -10.4793 -10.4793 -10.4426 -10.4426 -0.7628 -0.7628 1.4853 1.4853 3.1299 3.1299 7.6948 7.6948 7.7209 7.7209 8.1821 8.1821 8.9236 8.9236 8.9625 8.9625 9.0806 9.0806 10.1232 10.1232 11.3446 11.3446 12.2049 12.2049 12.9605 12.9605 12.9779 12.9779 13.1668 13.1668 k = 0.1458 0.0621 0.0000 ( 3627 PWs) bands (ev): -30.8989 -30.8989 -30.8845 -30.8845 -11.9656 -11.9656 -11.8955 -11.8955 -10.6019 -10.6019 -10.4897 -10.4897 -10.4793 -10.4793 -10.4448 -10.4448 -0.7436 -0.7436 1.3960 1.3960 3.2426 3.2426 7.6962 7.6962 7.7216 7.7216 8.0677 8.0677 8.9245 8.9245 8.9622 8.9622 9.0878 9.0878 10.0495 10.0495 11.4465 11.4465 12.2451 12.2451 12.9881 12.9881 13.0587 13.0587 13.0977 13.0977 k = 0.1667 0.0710 0.0000 ( 3627 PWs) bands (ev): -30.8987 -30.8987 -30.8848 -30.8848 -11.9643 -11.9643 -11.8967 -11.8967 -10.5996 -10.5996 -10.4899 -10.4899 -10.4793 -10.4793 -10.4473 -10.4473 -0.7214 -0.7214 1.3054 1.3054 3.3602 3.3602 7.6978 7.6978 7.7222 7.7222 7.9452 7.9452 8.9255 8.9255 8.9618 8.9618 9.0928 9.0928 9.9776 9.9776 11.5506 11.5506 12.2931 12.2931 12.9993 12.9993 13.0185 13.0185 13.0256 13.0256 k = 0.1875 0.0798 0.0000 ( 3623 PWs) bands (ev): -30.8984 -30.8984 -30.8851 -30.8851 -11.9629 -11.9629 -11.8980 -11.8980 -10.5969 -10.5969 -10.4902 -10.4902 -10.4793 -10.4793 -10.4501 -10.4501 -0.6963 -0.6963 1.2144 1.2144 3.4819 3.4819 7.6995 7.6995 7.7228 7.7228 7.8161 7.8161 8.9267 8.9267 8.9613 8.9613 9.0959 9.0959 9.9078 9.9078 11.6562 11.6562 12.3485 12.3485 12.9457 12.9457 12.9560 12.9560 13.0205 13.0205 k = 0.2083 0.0887 0.0000 ( 3631 PWs) bands (ev): -30.8981 -30.8981 -30.8854 -30.8854 -11.9613 -11.9613 -11.8994 -11.8994 -10.5940 -10.5940 -10.4906 -10.4906 -10.4793 -10.4793 -10.4530 -10.4530 -0.6684 -0.6684 1.1235 1.1235 3.6070 3.6070 7.6806 7.6806 7.7014 7.7014 7.7243 7.7243 8.9280 8.9280 8.9609 8.9609 9.0978 9.0978 9.8405 9.8405 11.7628 11.7628 12.4104 12.4104 12.8804 12.8804 12.8895 12.8895 13.0382 13.0382 k = 0.2292 0.0976 0.0000 ( 3635 PWs) bands (ev): -30.8978 -30.8978 -30.8857 -30.8857 -11.9597 -11.9597 -11.9009 -11.9009 -10.5909 -10.5909 -10.4912 -10.4912 -10.4793 -10.4793 -10.4561 -10.4561 -0.6376 -0.6376 1.0334 1.0334 3.7350 3.7350 7.5416 7.5416 7.7033 7.7033 7.7247 7.7247 8.9293 8.9293 8.9604 8.9604 9.0988 9.0988 9.7759 9.7759 11.8699 11.8699 12.4780 12.4780 12.8179 12.8179 12.8264 12.8264 13.0580 13.0580 k = 0.2500 0.1064 0.0000 ( 3619 PWs) bands (ev): -30.8974 -30.8974 -30.8861 -30.8861 -11.9578 -11.9578 -11.9026 -11.9026 -10.5874 -10.5874 -10.4919 -10.4919 -10.4793 -10.4793 -10.4592 -10.4592 -0.6040 -0.6040 0.9442 0.9442 3.8657 3.8657 7.3985 7.3985 7.7053 7.7053 7.7253 7.7253 8.9308 8.9308 8.9599 8.9599 9.0995 9.0995 9.7141 9.7141 11.9770 11.9770 12.5503 12.5503 12.7589 12.7589 12.7668 12.7668 13.0796 13.0796 k = 0.2708 0.1153 0.0000 ( 3619 PWs) bands (ev): -30.8970 -30.8970 -30.8864 -30.8864 -11.9559 -11.9559 -11.9044 -11.9044 -10.5838 -10.5838 -10.4929 -10.4929 -10.4793 -10.4793 -10.4624 -10.4624 -0.5677 -0.5677 0.8563 0.8563 3.9987 3.9987 7.2524 7.2524 7.7074 7.7074 7.7260 7.7260 8.9324 8.9324 8.9594 8.9594 9.1004 9.1004 9.6552 9.6552 12.0837 12.0837 12.6255 12.6255 12.7046 12.7046 12.7111 12.7111 13.1030 13.1030 k = 0.2917 0.1242 0.0000 ( 3611 PWs) bands (ev): -30.8966 -30.8966 -30.8869 -30.8869 -11.9538 -11.9538 -11.9063 -11.9063 -10.5799 -10.5799 -10.4942 -10.4942 -10.4793 -10.4793 -10.4654 -10.4654 -0.5285 -0.5285 0.7698 0.7698 4.1339 4.1339 7.1039 7.1039 7.7094 7.7094 7.7266 7.7266 8.9340 8.9340 8.9588 8.9588 9.1018 9.1018 9.5994 9.5994 12.1895 12.1895 12.6498 12.6498 12.6596 12.6596 12.7074 12.7074 13.1281 13.1281 k = 0.3125 0.1330 0.0000 ( 3603 PWs) bands (ev): -30.8962 -30.8962 -30.8873 -30.8873 -11.9517 -11.9517 -11.9083 -11.9083 -10.5758 -10.5758 -10.4960 -10.4960 -10.4793 -10.4793 -10.4682 -10.4682 -0.4867 -0.4867 0.6848 0.6848 4.2712 4.2712 6.9536 6.9536 7.7115 7.7115 7.7271 7.7271 8.9357 8.9357 8.9583 8.9583 9.1042 9.1042 9.5466 9.5466 12.2936 12.2936 12.6043 12.6043 12.6125 12.6125 12.7848 12.7848 13.1549 13.1549 k = 0.3333 0.1419 0.0000 ( 3595 PWs) bands (ev): -30.8957 -30.8957 -30.8877 -30.8877 -11.9494 -11.9494 -11.9104 -11.9104 -10.5714 -10.5714 -10.4983 -10.4983 -10.4793 -10.4793 -10.4707 -10.4707 -0.4421 -0.4421 0.6016 0.6016 4.4103 4.4103 6.8019 6.8019 7.7135 7.7135 7.7275 7.7275 8.9375 8.9375 8.9577 8.9577 9.1079 9.1079 9.4969 9.4969 12.3952 12.3952 12.5621 12.5621 12.5704 12.5704 12.8617 12.8617 13.1832 13.1832 k = 0.3542 0.1508 0.0000 ( 3595 PWs) bands (ev): -30.8952 -30.8952 -30.8882 -30.8882 -11.9471 -11.9471 -11.9126 -11.9126 -10.5669 -10.5669 -10.5011 -10.5011 -10.4793 -10.4793 -10.4727 -10.4727 -0.3949 -0.3949 0.5201 0.5201 4.5513 4.5513 6.6492 6.6492 7.7154 7.7154 7.7278 7.7278 8.9392 8.9392 8.9570 8.9570 9.1131 9.1131 9.4504 9.4504 12.4884 12.4884 12.5244 12.5244 12.5388 12.5388 12.9341 12.9341 13.2132 13.2132 k = 0.3750 0.1597 0.0000 ( 3591 PWs) bands (ev): -30.8948 -30.8948 -30.8886 -30.8886 -11.9447 -11.9447 -11.9149 -11.9149 -10.5622 -10.5622 -10.5046 -10.5046 -10.4792 -10.4792 -10.4743 -10.4743 -0.3451 -0.3451 0.4405 0.4405 4.6939 4.6939 6.4960 6.4960 7.7172 7.7172 7.7280 7.7280 8.9410 8.9410 8.9563 8.9563 9.1202 9.1202 9.4070 9.4070 12.4915 12.4915 12.4927 12.4927 12.5977 12.5977 12.9985 12.9985 13.2446 13.2446 k = 0.3958 0.1685 0.0000 ( 3582 PWs) bands (ev): -30.8943 -30.8943 -30.8891 -30.8891 -11.9423 -11.9423 -11.9172 -11.9172 -10.5574 -10.5574 -10.5084 -10.5084 -10.4792 -10.4792 -10.4756 -10.4756 -0.2927 -0.2927 0.3629 0.3629 4.8381 4.8381 6.3425 6.3425 7.7190 7.7190 7.7280 7.7280 8.9427 8.9427 8.9555 8.9555 9.1294 9.1294 9.3668 9.3668 12.4635 12.4635 12.4659 12.4659 12.6882 12.6882 13.0509 13.0509 13.2774 13.2774 k = 0.4167 0.1774 0.0000 ( 3582 PWs) bands (ev): -30.8938 -30.8938 -30.8896 -30.8896 -11.9398 -11.9398 -11.9196 -11.9196 -10.5525 -10.5525 -10.5127 -10.5127 -10.4791 -10.4791 -10.4766 -10.4766 -0.2378 -0.2378 0.2873 0.2873 4.9838 4.9838 6.1890 6.1890 7.7206 7.7206 7.7279 7.7279 8.9444 8.9444 8.9547 8.9547 9.1408 9.1408 9.3297 9.3297 12.4404 12.4404 12.4427 12.4427 12.7751 12.7751 13.0875 13.0875 13.3116 13.3116 k = 0.4375 0.1863 0.0000 ( 3570 PWs) bands (ev): -30.8933 -30.8933 -30.8901 -30.8901 -11.9373 -11.9373 -11.9221 -11.9221 -10.5475 -10.5475 -10.5173 -10.5173 -10.4790 -10.4790 -10.4773 -10.4773 -0.1804 -0.1804 0.2138 0.2138 5.1308 5.1308 6.0357 6.0357 7.7221 7.7221 7.7276 7.7276 8.9460 8.9460 8.9537 8.9537 9.1547 9.1547 9.2958 9.2958 12.4225 12.4225 12.4244 12.4244 12.8559 12.8559 13.1054 13.1054 13.3471 13.3471 k = 0.4583 0.1951 0.0000 ( 3570 PWs) bands (ev): -30.8927 -30.8927 -30.8907 -30.8907 -11.9347 -11.9347 -11.9245 -11.9245 -10.5424 -10.5424 -10.5221 -10.5221 -10.4789 -10.4789 -10.4778 -10.4778 -0.1206 -0.1206 0.1424 0.1424 5.2791 5.2791 5.8829 5.8829 7.7234 7.7234 7.7271 7.7271 8.9475 8.9475 8.9527 8.9527 9.1711 9.1711 9.2649 9.2649 12.4098 12.4098 12.4111 12.4111 12.9291 12.9291 13.1034 13.1034 13.3837 13.3837 k = 0.4792 0.2040 0.0000 ( 3562 PWs) bands (ev): -30.8922 -30.8922 -30.8912 -30.8912 -11.9322 -11.9322 -11.9271 -11.9271 -10.5373 -10.5373 -10.5271 -10.5271 -10.4787 -10.4787 -10.4782 -10.4782 -0.0583 -0.0583 0.0732 0.0732 5.4286 5.4286 5.7306 5.7306 7.7246 7.7246 7.7264 7.7264 8.9490 8.9490 8.9515 8.9515 9.1902 9.1902 9.2370 9.2370 12.4022 12.4022 12.4029 12.4029 12.9928 12.9928 13.0825 13.0825 13.4214 13.4214 k = 0.5000 0.2129 0.0000 ( 3562 PWs) bands (ev): -30.8917 -30.8917 -30.8917 -30.8917 -11.9296 -11.9296 -11.9296 -11.9296 -10.5322 -10.5322 -10.5322 -10.5322 -10.4785 -10.4785 -10.4785 -10.4785 0.0063 0.0063 0.0063 0.0063 5.5792 5.5792 5.5792 5.5792 7.7256 7.7256 7.7256 7.7256 8.9503 8.9503 8.9503 8.9503 9.2122 9.2122 9.2122 9.2122 12.3999 12.3999 12.3999 12.3999 13.0448 13.0448 13.0448 13.0448 13.4601 13.4601 k = 0.5000 0.2129 0.0000 ( 3562 PWs) bands (ev): -30.8917 -30.8917 -30.8917 -30.8917 -11.9296 -11.9296 -11.9296 -11.9296 -10.5322 -10.5322 -10.5322 -10.5322 -10.4785 -10.4785 -10.4785 -10.4785 0.0063 0.0063 0.0063 0.0063 5.5792 5.5792 5.5792 5.5792 7.7256 7.7256 7.7256 7.7256 8.9503 8.9503 8.9503 8.9503 9.2122 9.2122 9.2122 9.2122 12.3999 12.3999 12.3999 12.3999 13.0448 13.0448 13.0448 13.0448 13.4601 13.4601 k = 0.4937 0.2277 0.0161 ( 3566 PWs) bands (ev): -30.8917 -30.8917 -30.8917 -30.8917 -11.9299 -11.9299 -11.9295 -11.9295 -10.5332 -10.5332 -10.5312 -10.5312 -10.4793 -10.4793 -10.4779 -10.4779 0.0072 0.0072 0.0078 0.0078 5.5775 5.5775 5.5799 5.5799 7.7120 7.7120 7.7252 7.7252 8.9390 8.9390 8.9510 8.9510 9.2133 9.2133 9.2360 9.2360 12.3762 12.3762 12.3839 12.3839 13.0476 13.0476 13.0578 13.0578 13.4620 13.4620 k = 0.4874 0.2425 0.0322 ( 3572 PWs) bands (ev): -30.8917 -30.8917 -30.8917 -30.8917 -11.9302 -11.9302 -11.9294 -11.9294 -10.5344 -10.5344 -10.5303 -10.5303 -10.4804 -10.4804 -10.4774 -10.4774 0.0099 0.0099 0.0120 0.0120 5.5725 5.5725 5.5819 5.5819 7.6728 7.6728 7.7239 7.7239 8.9128 8.9128 8.9532 8.9532 9.2166 9.2166 9.2985 9.2985 12.3151 12.3151 12.3348 12.3348 13.0611 13.0611 13.0863 13.0863 13.4675 13.4675 k = 0.4811 0.2574 0.0484 ( 3588 PWs) bands (ev): -30.8917 -30.8917 -30.8916 -30.8916 -11.9306 -11.9306 -11.9295 -11.9295 -10.5356 -10.5356 -10.5295 -10.5295 -10.4816 -10.4816 -10.4770 -10.4770 0.0144 0.0144 0.0191 0.0191 5.5640 5.5640 5.5852 5.5852 7.6121 7.6121 7.7216 7.7216 8.8811 8.8811 8.9569 8.9569 9.2221 9.2221 9.3862 9.3862 12.2275 12.2275 12.2618 12.2618 13.0835 13.0835 13.1200 13.1200 13.4768 13.4768 k = 0.4747 0.2722 0.0645 ( 3596 PWs) bands (ev): -30.8916 -30.8916 -30.8915 -30.8915 -11.9311 -11.9311 -11.9297 -11.9297 -10.5369 -10.5369 -10.5288 -10.5288 -10.4829 -10.4829 -10.4768 -10.4768 0.0206 0.0206 0.0290 0.0290 5.5519 5.5519 5.5899 5.5899 7.5349 7.5349 7.7185 7.7185 8.8477 8.8477 8.9621 8.9621 9.2297 9.2297 9.4910 9.4910 12.1232 12.1232 12.1732 12.1732 13.1141 13.1141 13.1498 13.1498 13.4897 13.4897 k = 0.4684 0.2870 0.0806 ( 3594 PWs) bands (ev): -30.8916 -30.8916 -30.8914 -30.8914 -11.9318 -11.9318 -11.9299 -11.9299 -10.5383 -10.5383 -10.5282 -10.5282 -10.4845 -10.4845 -10.4767 -10.4767 0.0287 0.0287 0.0417 0.0417 5.5357 5.5357 5.5958 5.5958 7.4464 7.4464 7.7144 7.7144 8.8131 8.8131 8.9689 8.9689 9.2391 9.2391 9.6079 9.6079 12.0090 12.0090 12.0750 12.0750 13.1497 13.1497 13.1733 13.1733 13.5063 13.5063 k = 0.4621 0.3019 0.0967 ( 3594 PWs) bands (ev): -30.8915 -30.8915 -30.8913 -30.8913 -11.9325 -11.9325 -11.9302 -11.9302 -10.5398 -10.5398 -10.5277 -10.5277 -10.4862 -10.4862 -10.4766 -10.4766 0.0384 0.0384 0.0572 0.0572 5.5152 5.5152 5.6030 5.6030 7.3506 7.3506 7.7094 7.7094 8.7772 8.7772 8.9774 8.9774 9.2501 9.2501 9.7337 9.7337 11.8895 11.8895 11.9714 11.9714 13.1704 13.1704 13.2080 13.2080 13.5264 13.5264 k = 0.4558 0.3167 0.1129 ( 3596 PWs) bands (ev): -30.8914 -30.8914 -30.8911 -30.8911 -11.9332 -11.9332 -11.9306 -11.9306 -10.5415 -10.5415 -10.5272 -10.5272 -10.4880 -10.4880 -10.4766 -10.4766 0.0498 0.0498 0.0755 0.0755 5.4899 5.4899 5.6112 5.6112 7.2512 7.2512 7.7035 7.7035 8.7397 8.7397 8.9876 8.9876 9.2624 9.2624 9.8660 9.8660 11.7676 11.7676 11.8649 11.8649 13.1698 13.1698 13.2601 13.2601 13.5500 13.5500 k = 0.4495 0.3315 0.1290 ( 3596 PWs) bands (ev): -30.8914 -30.8914 -30.8910 -30.8910 -11.9341 -11.9341 -11.9312 -11.9312 -10.5432 -10.5432 -10.5270 -10.5270 -10.4899 -10.4899 -10.4767 -10.4767 0.0627 0.0627 0.0966 0.0966 5.4593 5.4593 5.6206 5.6206 7.1510 7.1510 7.6966 7.6966 8.7006 8.7006 8.9998 8.9998 9.2757 9.2757 10.0030 10.0030 11.6456 11.6456 11.7572 11.7572 13.1583 13.1583 13.3197 13.3197 13.5771 13.5771 k = 0.4432 0.3464 0.1451 ( 3608 PWs) bands (ev): -30.8913 -30.8913 -30.8908 -30.8908 -11.9351 -11.9351 -11.9318 -11.9318 -10.5451 -10.5451 -10.5269 -10.5269 -10.4919 -10.4919 -10.4768 -10.4768 0.0772 0.0772 0.1204 0.1204 5.4227 5.4227 5.6309 5.6309 7.0521 7.0521 7.6887 7.6887 8.6601 8.6601 9.0139 9.0139 9.2895 9.2895 10.1436 10.1436 11.5251 11.5251 11.6495 11.6495 13.1391 13.1391 13.3846 13.3846 13.6074 13.6074 k = 0.4368 0.3612 0.1612 ( 3610 PWs) bands (ev): -30.8912 -30.8912 -30.8906 -30.8906 -11.9361 -11.9361 -11.9324 -11.9324 -10.5472 -10.5472 -10.5270 -10.5270 -10.4940 -10.4940 -10.4769 -10.4769 0.0932 0.0932 0.1470 0.1470 5.3798 5.3798 5.6421 5.6421 6.9565 6.9565 7.6800 7.6800 8.6185 8.6185 9.0302 9.0302 9.3032 9.3032 10.2866 10.2866 11.4075 11.4075 11.5426 11.5426 13.1144 13.1144 13.4531 13.4531 13.6410 13.6410 k = 0.4305 0.3760 0.1773 ( 3612 PWs) bands (ev): -30.8911 -30.8911 -30.8904 -30.8904 -11.9372 -11.9372 -11.9332 -11.9332 -10.5493 -10.5493 -10.5273 -10.5273 -10.4960 -10.4960 -10.4769 -10.4769 0.1105 0.1105 0.1763 0.1763 5.3298 5.3298 5.6540 5.6540 6.8655 6.8655 7.6703 7.6703 8.5762 8.5762 9.0487 9.0487 9.3162 9.3162 10.4314 10.4314 11.2943 11.2943 11.4369 11.4369 13.0860 13.0860 13.5231 13.5231 13.6777 13.6777 k = 0.4242 0.3909 0.1935 ( 3612 PWs) bands (ev): -30.8910 -30.8910 -30.8901 -30.8901 -11.9384 -11.9384 -11.9340 -11.9340 -10.5516 -10.5516 -10.5279 -10.5279 -10.4979 -10.4979 -10.4769 -10.4769 0.1291 0.1291 0.2082 0.2082 5.2726 5.2726 5.6666 5.6666 6.7803 6.7803 7.6597 7.6597 8.5336 8.5336 9.0695 9.0695 9.3276 9.3276 10.5772 10.5772 11.1866 11.1866 11.3329 11.3329 13.0555 13.0555 13.5919 13.5919 13.7174 13.7174 k = 0.4179 0.4057 0.2096 ( 3612 PWs) bands (ev): -30.8909 -30.8909 -30.8899 -30.8899 -11.9396 -11.9396 -11.9349 -11.9349 -10.5540 -10.5540 -10.5289 -10.5289 -10.4997 -10.4997 -10.4769 -10.4769 0.1489 0.1489 0.2429 0.2429 5.2079 5.2079 5.6796 5.6796 6.7017 6.7017 7.6483 7.6483 8.4912 8.4912 9.0927 9.0927 9.3365 9.3365 10.7236 10.7236 11.0859 11.0859 11.2309 11.2309 13.0242 13.0242 13.6556 13.6556 13.7600 13.7600 k = 0.4116 0.4205 0.2257 ( 3616 PWs) bands (ev): -30.8907 -30.8907 -30.8896 -30.8896 -11.9409 -11.9409 -11.9358 -11.9358 -10.5565 -10.5565 -10.5303 -10.5303 -10.5012 -10.5012 -10.4767 -10.4767 0.1698 0.1698 0.2801 0.2801 5.1357 5.1357 5.6928 5.6928 6.6300 6.6300 7.6361 7.6361 8.4493 8.4493 9.1184 9.1184 9.3421 9.3421 10.8696 10.8696 10.9935 10.9935 11.1314 11.1314 12.9932 12.9932 13.7085 13.7085 13.8052 13.8052 k = 0.4053 0.4354 0.2418 ( 3616 PWs) bands (ev): -30.8906 -30.8906 -30.8893 -30.8893 -11.9423 -11.9423 -11.9368 -11.9368 -10.5592 -10.5592 -10.5321 -10.5321 -10.5025 -10.5025 -10.4765 -10.4765 0.1916 0.1916 0.3199 0.3199 5.0563 5.0563 5.7062 5.7062 6.5654 6.5654 7.6232 7.6232 8.4084 8.4084 9.1467 9.1467 9.3431 9.3431 10.9087 10.9087 11.0075 11.0075 11.0440 11.0440 12.9635 12.9635 13.7436 13.7436 13.8529 13.8529 k = 0.3990 0.4502 0.2579 ( 3632 PWs) bands (ev): -30.8905 -30.8905 -30.8890 -30.8890 -11.9437 -11.9437 -11.9378 -11.9378 -10.5619 -10.5619 -10.5343 -10.5343 -10.5036 -10.5036 -10.4762 -10.4762 0.2142 0.2142 0.3623 0.3623 4.9703 4.9703 5.7194 5.7194 6.5077 6.5077 7.6096 7.6096 8.3689 8.3689 9.1776 9.1776 9.3388 9.3388 10.8361 10.8361 10.9361 10.9361 11.1663 11.1663 12.9359 12.9359 13.7534 13.7534 13.9028 13.9028 k = 0.3926 0.4650 0.2741 ( 3626 PWs) bands (ev): -30.8904 -30.8904 -30.8887 -30.8887 -11.9451 -11.9451 -11.9389 -11.9389 -10.5646 -10.5646 -10.5368 -10.5368 -10.5045 -10.5045 -10.4758 -10.4758 0.2375 0.2375 0.4072 0.4072 4.8785 4.8785 5.7322 5.7322 6.4565 6.4565 7.5956 7.5956 8.3311 8.3311 9.2110 9.2110 9.3283 9.3283 10.7744 10.7744 10.8442 10.8442 11.3115 11.3115 12.9111 12.9111 13.7346 13.7346 13.9548 13.9548 k = 0.3863 0.4799 0.2902 ( 3630 PWs) bands (ev): -30.8903 -30.8903 -30.8884 -30.8884 -11.9466 -11.9466 -11.9400 -11.9400 -10.5675 -10.5675 -10.5396 -10.5396 -10.5051 -10.5051 -10.4753 -10.4753 0.2614 0.2614 0.4547 0.4547 4.7815 4.7815 5.7444 5.7444 6.4111 6.4111 7.5811 7.5811 8.2955 8.2955 9.2470 9.2470 9.3114 9.3114 10.7237 10.7237 10.7551 10.7551 11.4563 11.4563 12.8898 12.8898 13.6898 13.6898 14.0085 14.0085 k = 0.3800 0.4947 0.3063 ( 3634 PWs) bands (ev): -30.8901 -30.8901 -30.8881 -30.8881 -11.9481 -11.9481 -11.9411 -11.9411 -10.5703 -10.5703 -10.5427 -10.5427 -10.5056 -10.5056 -10.4747 -10.4747 0.2856 0.2856 0.5045 0.5045 4.6803 4.6803 5.7557 5.7557 6.3711 6.3711 7.5663 7.5663 8.2622 8.2622 9.2797 9.2797 9.2937 9.2937 10.6639 10.6639 10.6896 10.6896 11.5999 11.5999 12.8725 12.8725 13.6259 13.6259 14.0634 14.0634 k = 0.3737 0.5095 0.3224 ( 3630 PWs) bands (ev): -30.8900 -30.8900 -30.8878 -30.8878 -11.9496 -11.9496 -11.9422 -11.9422 -10.5732 -10.5732 -10.5460 -10.5460 -10.5060 -10.5060 -10.4740 -10.4740 0.3101 0.3101 0.5568 0.5568 4.5758 4.5758 5.7658 5.7658 6.3357 6.3357 7.5513 7.5513 8.2315 8.2315 9.2561 9.2561 9.3291 9.3291 10.5805 10.5805 10.6617 10.6617 11.7416 11.7416 12.8596 12.8596 13.5497 13.5497 14.1184 14.1184 k = 0.3674 0.5244 0.3386 ( 3630 PWs) bands (ev): -30.8899 -30.8899 -30.8874 -30.8874 -11.9512 -11.9512 -11.9433 -11.9433 -10.5760 -10.5760 -10.5494 -10.5494 -10.5063 -10.5063 -10.4733 -10.4733 0.3346 0.3346 0.6114 0.6114 4.4689 4.4689 5.7744 5.7744 6.3045 6.3045 7.5363 7.5363 8.2036 8.2036 9.2214 9.2214 9.3732 9.3732 10.4986 10.4986 10.6454 10.6454 11.8807 11.8807 12.8518 12.8518 13.4670 13.4670 14.1720 14.1720 k = 0.3611 0.5392 0.3547 ( 3634 PWs) bands (ev): -30.8898 -30.8898 -30.8871 -30.8871 -11.9528 -11.9528 -11.9444 -11.9444 -10.5788 -10.5788 -10.5529 -10.5529 -10.5065 -10.5065 -10.4724 -10.4724 0.3590 0.3590 0.6683 0.6683 4.3601 4.3601 5.7811 5.7811 6.2769 6.2769 7.5213 7.5213 8.1788 8.1788 9.1827 9.1827 9.4203 9.4203 10.4193 10.4193 10.6383 10.6383 12.0156 12.0156 12.8492 12.8492 13.3823 13.3823 14.2146 14.2146 k = 0.3548 0.5540 0.3708 ( 3630 PWs) bands (ev): -30.8897 -30.8897 -30.8867 -30.8867 -11.9544 -11.9544 -11.9454 -11.9454 -10.5816 -10.5816 -10.5564 -10.5564 -10.5068 -10.5068 -10.4715 -10.4715 0.3830 0.3830 0.7274 0.7274 4.2504 4.2504 5.7857 5.7857 6.2526 6.2526 7.5064 7.5064 8.1570 8.1570 9.1419 9.1419 9.4701 9.4701 10.3427 10.3427 10.6389 10.6389 12.1441 12.1441 12.8521 12.8521 13.3002 13.3002 14.1619 14.1619 k = 0.3484 0.5689 0.3869 ( 3638 PWs) bands (ev): -30.8896 -30.8896 -30.8864 -30.8864 -11.9560 -11.9560 -11.9465 -11.9465 -10.5842 -10.5842 -10.5599 -10.5599 -10.5070 -10.5070 -10.4705 -10.4705 0.4064 0.4064 0.7888 0.7888 4.1402 4.1402 5.7877 5.7877 6.2312 6.2312 7.4918 7.4918 8.1385 8.1385 9.1004 9.1004 9.5227 9.5227 10.2688 10.2688 10.6455 10.6455 12.2620 12.2620 12.8608 12.8608 13.2263 13.2263 14.0930 14.0930 k = 0.3421 0.5837 0.4030 ( 3646 PWs) bands (ev): -30.8895 -30.8895 -30.8861 -30.8861 -11.9575 -11.9575 -11.9474 -11.9474 -10.5868 -10.5868 -10.5635 -10.5635 -10.5072 -10.5072 -10.4695 -10.4695 0.4291 0.4291 0.8523 0.8523 4.0301 4.0301 5.7870 5.7870 6.2126 6.2126 7.4775 7.4775 8.1233 8.1233 9.0598 9.0598 9.5779 9.5779 10.1977 10.1977 10.6568 10.6568 12.3616 12.3616 12.8753 12.8753 13.1692 13.1692 14.0211 14.0211 k = 0.3358 0.5985 0.4192 ( 3642 PWs) bands (ev): -30.8894 -30.8894 -30.8858 -30.8858 -11.9591 -11.9591 -11.9484 -11.9484 -10.5893 -10.5893 -10.5669 -10.5669 -10.5074 -10.5074 -10.4684 -10.4684 0.4509 0.4509 0.9179 0.9179 3.9207 3.9207 5.7831 5.7831 6.1965 6.1965 7.4637 7.4637 8.1115 8.1115 9.0216 9.0216 9.6358 9.6358 10.1293 10.1293 10.6713 10.6713 12.4310 12.4310 12.8952 12.8952 13.1416 13.1416 13.9472 13.9472 k = 0.3295 0.6134 0.4353 ( 3650 PWs) bands (ev): -30.8894 -30.8894 -30.8854 -30.8854 -11.9606 -11.9606 -11.9492 -11.9492 -10.5916 -10.5916 -10.5702 -10.5702 -10.5076 -10.5076 -10.4673 -10.4673 0.4713 0.4713 0.9855 0.9855 3.8123 3.8123 5.7759 5.7759 6.1829 6.1829 7.4506 7.4506 8.1029 8.1029 8.9867 8.9867 9.6963 9.6963 10.0637 10.0637 10.6881 10.6881 12.4579 12.4579 12.9202 12.9202 13.1562 13.1562 13.8718 13.8718 k = 0.3232 0.6282 0.4514 ( 3642 PWs) bands (ev): -30.8893 -30.8893 -30.8851 -30.8851 -11.9621 -11.9621 -11.9500 -11.9500 -10.5938 -10.5938 -10.5735 -10.5735 -10.5078 -10.5078 -10.4662 -10.4662 0.4904 0.4904 1.0550 1.0550 3.7054 3.7054 5.7652 5.7652 6.1718 6.1718 7.4381 7.4381 8.0976 8.0976 8.9564 8.9564 9.7593 9.7593 10.0007 10.0007 10.7062 10.7062 12.4407 12.4407 12.9498 12.9498 13.2148 13.2148 13.7954 13.7954 k = 0.3169 0.6430 0.4675 ( 3644 PWs) bands (ev): -30.8893 -30.8893 -30.8848 -30.8848 -11.9636 -11.9636 -11.9507 -11.9507 -10.5958 -10.5958 -10.5766 -10.5766 -10.5081 -10.5081 -10.4650 -10.4650 0.5076 0.5076 1.1263 1.1263 3.6004 3.6004 5.7507 5.7507 6.1631 6.1631 7.4263 7.4263 8.0956 8.0956 8.9313 8.9313 9.8249 9.8249 9.9405 9.9405 10.7249 10.7249 12.3911 12.3911 12.9829 12.9829 13.3058 13.3058 13.7185 13.7185 k = 0.3105 0.6579 0.4836 ( 3644 PWs) bands (ev): -30.8893 -30.8893 -30.8845 -30.8845 -11.9651 -11.9651 -11.9513 -11.9513 -10.5976 -10.5976 -10.5795 -10.5795 -10.5084 -10.5084 -10.4639 -10.4639 0.5229 0.5229 1.1994 1.1994 3.4975 3.4975 5.7326 5.7326 6.1569 6.1569 7.4154 7.4154 8.0967 8.0967 8.9121 8.9121 9.8817 9.8817 9.8942 9.8942 10.7438 10.7438 12.3223 12.3223 13.0184 13.0184 13.4159 13.4159 13.6415 13.6415 k = 0.3042 0.6727 0.4998 ( 3630 PWs) bands (ev): -30.8893 -30.8893 -30.8842 -30.8842 -11.9664 -11.9664 -11.9517 -11.9517 -10.5993 -10.5993 -10.5822 -10.5822 -10.5087 -10.5087 -10.4627 -10.4627 0.5360 0.5360 1.2741 1.2741 3.3972 3.3972 5.7107 5.7107 6.1533 6.1533 7.4054 7.4054 8.1009 8.1009 8.8992 8.8992 9.8278 9.8278 9.9638 9.9638 10.7623 10.7623 12.2432 12.2432 13.0541 13.0541 13.5357 13.5357 13.5653 13.5653 k = 0.2979 0.6875 0.5159 ( 3634 PWs) bands (ev): -30.8893 -30.8893 -30.8839 -30.8839 -11.9678 -11.9678 -11.9521 -11.9521 -10.6009 -10.6009 -10.5847 -10.5847 -10.5091 -10.5091 -10.4615 -10.4615 0.5466 0.5466 1.3504 1.3504 3.2997 3.2997 5.6852 5.6852 6.1524 6.1524 7.3963 7.3963 8.1080 8.1080 8.8929 8.8929 9.7754 9.7754 10.0367 10.0367 10.7803 10.7803 12.1588 12.1588 13.0877 13.0877 13.4887 13.4887 13.6608 13.6608 k = 0.2916 0.7024 0.5320 ( 3638 PWs) bands (ev): -30.8893 -30.8893 -30.8836 -30.8836 -11.9691 -11.9691 -11.9524 -11.9524 -10.6023 -10.6023 -10.5870 -10.5870 -10.5095 -10.5095 -10.4603 -10.4603 0.5544 0.5544 1.4281 1.4281 3.2052 3.2052 5.6564 5.6564 6.1543 6.1543 7.3883 7.3883 8.1179 8.1179 8.8934 8.8934 9.7256 9.7256 10.1120 10.1120 10.7975 10.7975 12.0718 12.0718 13.1161 13.1161 13.4137 13.4137 13.6389 13.6389 k = 0.2853 0.7172 0.5481 ( 3634 PWs) bands (ev): -30.8894 -30.8894 -30.8834 -30.8834 -11.9703 -11.9703 -11.9525 -11.9525 -10.6035 -10.6035 -10.5890 -10.5890 -10.5099 -10.5099 -10.4592 -10.4592 0.5592 0.5592 1.5071 1.5071 3.1142 3.1142 5.6245 5.6245 6.1591 6.1591 7.3814 7.3814 8.1306 8.1306 8.9006 8.9006 9.6783 9.6783 10.1896 10.1896 10.8139 10.8139 11.9841 11.9841 13.1360 13.1360 13.3401 13.3401 13.5547 13.5547 k = 0.2790 0.7320 0.5643 ( 3642 PWs) bands (ev): -30.8895 -30.8895 -30.8831 -30.8831 -11.9714 -11.9714 -11.9525 -11.9525 -10.6046 -10.6046 -10.5906 -10.5906 -10.5103 -10.5103 -10.4580 -10.4580 0.5607 0.5607 1.5872 1.5872 3.0267 3.0267 5.5898 5.5898 6.1669 6.1669 7.3756 7.3756 8.1458 8.1458 8.9146 8.9146 9.6333 9.6333 10.2694 10.2694 10.8294 10.8294 11.8967 11.8967 13.1444 13.1444 13.2681 13.2681 13.4725 13.4725 k = 0.2727 0.7469 0.5804 ( 3638 PWs) bands (ev): -30.8895 -30.8895 -30.8829 -30.8829 -11.9725 -11.9725 -11.9523 -11.9523 -10.6056 -10.6056 -10.5919 -10.5919 -10.5108 -10.5108 -10.4569 -10.4569 0.5588 0.5588 1.6682 1.6682 2.9430 2.9430 5.5529 5.5529 6.1779 6.1779 7.3710 7.3710 8.1633 8.1633 8.9351 8.9351 9.5908 9.5908 10.3514 10.3514 10.8440 10.8440 11.8103 11.8103 13.1394 13.1394 13.1980 13.1980 13.3928 13.3928 k = 0.2727 0.7469 0.5804 ( 3638 PWs) bands (ev): -30.8895 -30.8895 -30.8829 -30.8829 -11.9725 -11.9725 -11.9523 -11.9523 -10.6056 -10.6056 -10.5919 -10.5919 -10.5108 -10.5108 -10.4569 -10.4569 0.5588 0.5588 1.6682 1.6682 2.9430 2.9430 5.5529 5.5529 6.1779 6.1779 7.3710 7.3710 8.1633 8.1633 8.9351 8.9351 9.5908 9.5908 10.3514 10.3514 10.8440 10.8440 11.8103 11.8103 13.1394 13.1394 13.1980 13.1980 13.3928 13.3928 k = 0.2517 0.7428 0.5848 ( 3636 PWs) bands (ev): -30.8896 -30.8896 -30.8828 -30.8828 -11.9728 -11.9728 -11.9523 -11.9523 -10.6059 -10.6059 -10.5922 -10.5922 -10.5110 -10.5110 -10.4566 -10.4566 0.5571 0.5571 1.6919 1.6919 2.9203 2.9203 5.5336 5.5336 6.1939 6.1939 7.3699 7.3699 8.1532 8.1532 8.9576 8.9576 9.5776 9.5776 10.3781 10.3781 10.8469 10.8469 11.7760 11.7760 13.1349 13.1349 13.1448 13.1448 13.4173 13.4173 k = 0.2307 0.7387 0.5893 ( 3634 PWs) bands (ev): -30.8896 -30.8896 -30.8828 -30.8828 -11.9731 -11.9731 -11.9521 -11.9521 -10.6061 -10.6061 -10.5925 -10.5925 -10.5111 -10.5111 -10.4562 -10.4562 0.5544 0.5544 1.7176 1.7176 2.8974 2.8974 5.4999 5.4999 6.2318 6.2318 7.3690 7.3690 8.1153 8.1153 9.0088 9.0088 9.5617 9.5617 10.4115 10.4115 10.8478 10.8478 11.7218 11.7218 13.0358 13.0358 13.1627 13.1627 13.4870 13.4870 k = 0.2097 0.7346 0.5937 ( 3639 PWs) bands (ev): -30.8897 -30.8897 -30.8827 -30.8827 -11.9735 -11.9735 -11.9520 -11.9520 -10.6064 -10.6064 -10.5928 -10.5928 -10.5112 -10.5112 -10.4559 -10.4559 0.5510 0.5510 1.7446 1.7446 2.8747 2.8747 5.4574 5.4574 6.2860 6.2860 7.3682 7.3682 8.0566 8.0566 9.0819 9.0819 9.5442 9.5442 10.4501 10.4501 10.8463 10.8463 11.6510 11.6510 12.9302 12.9302 13.1943 13.1943 13.5693 13.5693 k = 0.1888 0.7305 0.5982 ( 3636 PWs) bands (ev): -30.8897 -30.8897 -30.8826 -30.8826 -11.9738 -11.9738 -11.9518 -11.9518 -10.6066 -10.6066 -10.5932 -10.5932 -10.5113 -10.5113 -10.4555 -10.4555 0.5471 0.5471 1.7723 1.7723 2.8525 2.8525 5.4109 5.4109 6.3518 6.3518 7.3675 7.3675 7.9839 7.9839 9.1698 9.1698 9.5261 9.5261 10.4924 10.4924 10.8419 10.8419 11.5680 11.5680 12.8264 12.8264 13.2358 13.2358 13.6574 13.6574 k = 0.1678 0.7264 0.6026 ( 3631 PWs) bands (ev): -30.8897 -30.8897 -30.8826 -30.8826 -11.9741 -11.9741 -11.9516 -11.9516 -10.6068 -10.6068 -10.5935 -10.5935 -10.5114 -10.5114 -10.4552 -10.4552 0.5430 0.5430 1.7999 1.7999 2.8310 2.8310 5.3640 5.3640 6.4259 6.4259 7.3669 7.3669 7.9021 7.9021 9.2675 9.2675 9.5083 9.5083 10.5370 10.5370 10.8337 10.8337 11.4776 11.4776 12.7272 12.7272 13.2838 13.2838 13.7490 13.7490 k = 0.1468 0.7223 0.6071 ( 3635 PWs) bands (ev): -30.8898 -30.8898 -30.8825 -30.8825 -11.9745 -11.9745 -11.9514 -11.9514 -10.6070 -10.6070 -10.5938 -10.5938 -10.5114 -10.5114 -10.4549 -10.4549 0.5389 0.5389 1.8268 1.8268 2.8106 2.8106 5.3191 5.3191 6.5058 6.5058 7.3664 7.3664 7.8144 7.8144 9.3712 9.3712 9.4914 9.4914 10.5824 10.5824 10.8200 10.8200 11.3849 11.3849 12.6339 12.6339 13.3352 13.3352 13.8433 13.8433 k = 0.1258 0.7182 0.6115 ( 3630 PWs) bands (ev): -30.8898 -30.8898 -30.8824 -30.8824 -11.9747 -11.9747 -11.9513 -11.9513 -10.6071 -10.6071 -10.5941 -10.5941 -10.5115 -10.5115 -10.4546 -10.4546 0.5349 0.5349 1.8523 1.8523 2.7917 2.7917 5.2778 5.2778 6.5901 6.5901 7.3660 7.3660 7.7229 7.7229 9.4755 9.4755 9.4789 9.4789 10.6272 10.6272 10.7982 10.7982 11.2953 11.2953 12.5481 12.5481 13.3873 13.3873 13.9395 13.9395 k = 0.1049 0.7141 0.6160 ( 3629 PWs) bands (ev): -30.8899 -30.8899 -30.8824 -30.8824 -11.9750 -11.9750 -11.9511 -11.9511 -10.6072 -10.6072 -10.5943 -10.5943 -10.5115 -10.5115 -10.4543 -10.4543 0.5314 0.5314 1.8756 1.8756 2.7747 2.7747 5.2414 5.2414 6.6778 6.6778 7.3656 7.3656 7.6289 7.6289 9.4623 9.4623 9.5869 9.5869 10.6695 10.6695 10.7653 10.7653 11.2154 11.2154 12.4711 12.4711 13.4374 13.4374 14.0371 14.0371 k = 0.0839 0.7100 0.6204 ( 3630 PWs) bands (ev): -30.8899 -30.8899 -30.8823 -30.8823 -11.9752 -11.9752 -11.9510 -11.9510 -10.6073 -10.6073 -10.5946 -10.5946 -10.5115 -10.5115 -10.4541 -10.4541 0.5283 0.5283 1.8959 1.8959 2.7599 2.7599 5.2106 5.2106 6.7681 6.7681 7.3654 7.3654 7.5333 7.5333 9.4507 9.4507 9.6940 9.6940 10.7043 10.7043 10.7219 10.7219 11.1507 11.1507 12.4045 12.4045 13.4830 13.4830 14.1352 14.1352 k = 0.0629 0.7059 0.6249 ( 3624 PWs) bands (ev): -30.8899 -30.8899 -30.8823 -30.8823 -11.9754 -11.9754 -11.9509 -11.9509 -10.6074 -10.6074 -10.5948 -10.5948 -10.5115 -10.5115 -10.4539 -10.4539 0.5258 0.5258 1.9127 1.9127 2.7478 2.7478 5.1860 5.1860 6.8604 6.8604 7.3651 7.3651 7.4368 7.4368 9.4415 9.4415 9.7962 9.7962 10.6567 10.6567 10.7423 10.7423 11.1043 11.1043 12.3501 12.3501 13.5218 13.5218 14.2324 14.2324 k = 0.0419 0.7018 0.6293 ( 3623 PWs) bands (ev): -30.8900 -30.8900 -30.8823 -30.8823 -11.9755 -11.9755 -11.9508 -11.9508 -10.6074 -10.6074 -10.5949 -10.5949 -10.5115 -10.5115 -10.4538 -10.4538 0.5239 0.5239 1.9251 1.9251 2.7388 2.7388 5.1682 5.1682 6.9544 6.9544 7.3394 7.3394 7.3654 7.3654 9.4349 9.4349 9.8870 9.8870 10.5923 10.5923 10.7672 10.7672 11.0749 11.0749 12.3095 12.3095 13.5515 13.5515 14.3252 14.3252 k = 0.0210 0.6977 0.6338 ( 3618 PWs) bands (ev): -30.8900 -30.8900 -30.8822 -30.8822 -11.9756 -11.9756 -11.9508 -11.9508 -10.6074 -10.6074 -10.5950 -10.5950 -10.5115 -10.5115 -10.4537 -10.4537 0.5228 0.5228 1.9328 1.9328 2.7332 2.7332 5.1574 5.1574 7.0495 7.0495 7.2427 7.2427 7.3651 7.3651 9.4308 9.4308 9.9545 9.9545 10.5386 10.5386 10.7830 10.7830 11.0591 11.0591 12.2845 12.2845 13.5702 13.5702 14.3554 14.3554 k = 0.0000 0.6936 0.6382 ( 3616 PWs) bands (ev): -30.8900 -30.8900 -30.8822 -30.8822 -11.9756 -11.9756 -11.9507 -11.9507 -10.6074 -10.6074 -10.5950 -10.5950 -10.5115 -10.5115 -10.4537 -10.4537 0.5224 0.5224 1.9354 1.9354 2.7313 2.7313 5.1538 5.1538 7.1408 7.1408 7.1508 7.1508 7.3651 7.3651 9.4295 9.4295 9.9807 9.9807 10.5167 10.5167 10.7884 10.7884 11.0541 11.0541 12.2760 12.2760 13.5766 13.5766 14.3541 14.3541 k = 0.0000 0.6936 0.6382 ( 3616 PWs) bands (ev): -30.8900 -30.8900 -30.8822 -30.8822 -11.9756 -11.9756 -11.9507 -11.9507 -10.6074 -10.6074 -10.5950 -10.5950 -10.5115 -10.5115 -10.4537 -10.4537 0.5224 0.5224 1.9354 1.9354 2.7313 2.7313 5.1538 5.1538 7.1408 7.1408 7.1508 7.1508 7.3651 7.3651 9.4295 9.4295 9.9807 9.9807 10.5167 10.5167 10.7884 10.7884 11.0541 11.0541 12.2760 12.2760 13.5766 13.5766 14.3541 14.3541 k = 0.0064 0.6786 0.6546 ( 3618 PWs) bands (ev): -30.8900 -30.8900 -30.8822 -30.8822 -11.9756 -11.9756 -11.9508 -11.9508 -10.6074 -10.6074 -10.5950 -10.5950 -10.5116 -10.5116 -10.4538 -10.4538 0.5232 0.5232 1.9354 1.9354 2.7321 2.7321 5.1536 5.1536 7.1409 7.1409 7.1493 7.1493 7.3626 7.3626 9.4256 9.4256 9.9802 9.9802 10.4939 10.4939 10.8049 10.8049 11.0671 11.0671 12.2774 12.2774 13.5826 13.5826 14.3368 14.3368 k = 0.0128 0.6635 0.6709 ( 3618 PWs) bands (ev): -30.8899 -30.8899 -30.8822 -30.8822 -11.9757 -11.9757 -11.9509 -11.9509 -10.6074 -10.6074 -10.5950 -10.5950 -10.5119 -10.5119 -10.4542 -10.4542 0.5255 0.5255 1.9352 1.9352 2.7342 2.7342 5.1530 5.1530 7.1402 7.1402 7.1455 7.1455 7.3555 7.3555 9.4143 9.4143 9.9786 9.9786 10.4389 10.4389 10.8410 10.8410 11.1063 11.1063 12.2817 12.2817 13.6002 13.6002 14.3021 14.3021 k = 0.0192 0.6485 0.6873 ( 3622 PWs) bands (ev): -30.8899 -30.8899 -30.8822 -30.8822 -11.9758 -11.9758 -11.9511 -11.9511 -10.6073 -10.6073 -10.5950 -10.5950 -10.5125 -10.5125 -10.4547 -10.4547 0.5293 0.5293 1.9349 1.9349 2.7377 2.7377 5.1519 5.1519 7.1334 7.1334 7.1440 7.1440 7.3451 7.3451 9.3962 9.3962 9.9755 9.9755 10.3694 10.3694 10.8802 10.8802 11.1701 11.1701 12.2895 12.2895 13.6281 13.6281 14.2634 14.2634 k = 0.0256 0.6334 0.7037 ( 3620 PWs) bands (ev): -30.8898 -30.8898 -30.8821 -30.8821 -11.9759 -11.9759 -11.9514 -11.9514 -10.6072 -10.6072 -10.5949 -10.5949 -10.5132 -10.5132 -10.4555 -10.4555 0.5347 0.5347 1.9345 1.9345 2.7427 2.7427 5.1503 5.1503 7.1193 7.1193 7.1449 7.1449 7.3328 7.3328 9.3719 9.3719 9.9702 9.9702 10.2938 10.2938 10.9179 10.9179 11.2541 11.2541 12.3011 12.3011 13.6638 13.6638 14.2244 14.2244 k = 0.0321 0.6184 0.7200 ( 3628 PWs) bands (ev): -30.8897 -30.8897 -30.8821 -30.8821 -11.9761 -11.9761 -11.9517 -11.9517 -10.6071 -10.6071 -10.5948 -10.5948 -10.5142 -10.5142 -10.4565 -10.4565 0.5416 0.5416 1.9339 1.9339 2.7490 2.7490 5.1479 5.1479 7.0988 7.0988 7.1464 7.1464 7.3208 7.3208 9.3426 9.3426 9.9622 9.9622 10.2159 10.2159 10.9548 10.9548 11.3531 11.3531 12.3172 12.3172 13.7028 13.7028 14.1865 14.1865 k = 0.0385 0.6033 0.7364 ( 3628 PWs) bands (ev): -30.8896 -30.8896 -30.8820 -30.8820 -11.9763 -11.9763 -11.9521 -11.9521 -10.6070 -10.6070 -10.5947 -10.5947 -10.5154 -10.5154 -10.4577 -10.4577 0.5499 0.5499 1.9331 1.9331 2.7567 2.7567 5.1447 5.1447 7.0714 7.0714 7.1481 7.1481 7.3105 7.3105 9.3091 9.3091 9.9508 9.9508 10.1372 10.1372 10.9923 10.9923 11.4635 11.4635 12.3384 12.3384 13.7366 13.7366 14.1507 14.1507 k = 0.0449 0.5883 0.7528 ( 3634 PWs) bands (ev): -30.8894 -30.8894 -30.8820 -30.8820 -11.9766 -11.9766 -11.9526 -11.9526 -10.6069 -10.6069 -10.5946 -10.5946 -10.5167 -10.5167 -10.4591 -10.4591 0.5598 0.5598 1.9320 1.9320 2.7658 2.7658 5.1403 5.1403 7.0376 7.0376 7.1498 7.1498 7.3030 7.3030 9.2723 9.2723 9.9357 9.9357 10.0586 10.0586 11.0311 11.0311 11.5829 11.5829 12.3651 12.3651 13.7500 13.7500 14.1174 14.1174 k = 0.0513 0.5732 0.7691 ( 3638 PWs) bands (ev): -30.8892 -30.8892 -30.8819 -30.8819 -11.9769 -11.9769 -11.9532 -11.9532 -10.6068 -10.6068 -10.5944 -10.5944 -10.5182 -10.5182 -10.4607 -10.4607 0.5712 0.5712 1.9306 1.9306 2.7763 2.7763 5.1345 5.1345 6.9983 6.9983 7.1515 7.1515 7.2983 7.2983 9.2332 9.2332 9.9165 9.9165 9.9807 9.9807 11.0712 11.0712 11.7099 11.7099 12.3976 12.3976 13.7259 13.7259 14.0872 14.0872 k = 0.0577 0.5581 0.7855 ( 3636 PWs) bands (ev): -30.8891 -30.8891 -30.8818 -30.8818 -11.9772 -11.9772 -11.9538 -11.9538 -10.6068 -10.6068 -10.5942 -10.5942 -10.5198 -10.5198 -10.4624 -10.4624 0.5840 0.5840 1.9288 1.9288 2.7881 2.7881 5.1269 5.1269 6.9551 6.9551 7.1531 7.1531 7.2963 7.2963 9.1923 9.1923 9.8902 9.8902 9.9070 9.9070 11.1124 11.1124 11.8436 11.8436 12.4359 12.4359 13.6631 13.6631 14.0606 14.0606 k = 0.0641 0.5431 0.8019 ( 3640 PWs) bands (ev): -30.8888 -30.8888 -30.8817 -30.8817 -11.9776 -11.9776 -11.9545 -11.9545 -10.6069 -10.6069 -10.5939 -10.5939 -10.5215 -10.5215 -10.4642 -10.4642 0.5982 0.5982 1.9266 1.9266 2.8013 2.8013 5.1173 5.1173 6.9097 6.9097 7.1543 7.1543 7.2963 7.2963 9.1502 9.1502 9.8248 9.8248 9.8700 9.8700 11.1546 11.1546 11.9832 11.9832 12.4801 12.4801 13.5761 13.5761 14.0380 14.0380 k = 0.0705 0.5280 0.8182 ( 3638 PWs) bands (ev): -30.8886 -30.8886 -30.8816 -30.8816 -11.9780 -11.9780 -11.9553 -11.9553 -10.6070 -10.6070 -10.5936 -10.5936 -10.5233 -10.5233 -10.4662 -10.4662 0.6139 0.6139 1.9239 1.9239 2.8158 2.8158 5.1052 5.1052 6.8636 6.8636 7.1552 7.1552 7.2982 7.2982 9.1075 9.1075 9.7504 9.7504 9.8399 9.8399 11.1974 11.1974 12.1279 12.1279 12.5297 12.5297 13.4777 13.4777 14.0198 14.0198 k = 0.0769 0.5130 0.8346 ( 3640 PWs) bands (ev): -30.8884 -30.8884 -30.8815 -30.8815 -11.9784 -11.9784 -11.9561 -11.9561 -10.6072 -10.6072 -10.5933 -10.5933 -10.5252 -10.5252 -10.4683 -10.4683 0.6309 0.6309 1.9206 1.9206 2.8316 2.8316 5.0902 5.0902 6.8182 6.8182 7.1554 7.1554 7.3015 7.3015 9.0645 9.0645 9.6769 9.6769 9.8074 9.8074 11.2406 11.2406 12.2773 12.2773 12.5846 12.5846 13.3754 13.3754 14.0061 14.0061 k = 0.0833 0.4979 0.8510 ( 3644 PWs) bands (ev): -30.8881 -30.8881 -30.8814 -30.8814 -11.9788 -11.9788 -11.9570 -11.9570 -10.6075 -10.6075 -10.5929 -10.5929 -10.5272 -10.5272 -10.4704 -10.4704 0.6493 0.6493 1.9167 1.9167 2.8488 2.8488 5.0720 5.0720 6.7748 6.7748 7.1550 7.1550 7.3062 7.3062 9.0214 9.0214 9.6050 9.6050 9.7725 9.7725 11.2840 11.2840 12.4305 12.4305 12.6439 12.6439 13.2730 13.2730 13.9971 13.9971 k = 0.0897 0.4829 0.8673 ( 3642 PWs) bands (ev): -30.8878 -30.8878 -30.8813 -30.8813 -11.9793 -11.9793 -11.9579 -11.9579 -10.6080 -10.6080 -10.5926 -10.5926 -10.5291 -10.5291 -10.4727 -10.4727 0.6690 0.6690 1.9120 1.9120 2.8672 2.8672 5.0502 5.0502 6.7344 6.7344 7.1537 7.1537 7.3119 7.3119 8.9785 8.9785 9.5348 9.5348 9.7357 9.7357 11.3274 11.3274 12.5869 12.5869 12.7068 12.7068 13.1736 13.1736 13.9930 13.9930 k = 0.0962 0.4678 0.8837 ( 3642 PWs) bands (ev): -30.8876 -30.8876 -30.8812 -30.8812 -11.9798 -11.9798 -11.9589 -11.9589 -10.6085 -10.6085 -10.5922 -10.5922 -10.5310 -10.5310 -10.4749 -10.4749 0.6901 0.6901 1.9065 1.9065 2.8868 2.8868 5.0245 5.0245 6.6980 6.6980 7.1516 7.1516 7.3188 7.3188 8.9360 8.9360 9.4665 9.4665 9.6971 9.6971 11.3708 11.3708 12.7449 12.7449 12.7714 12.7714 13.0808 13.0808 13.9941 13.9941 k = 0.1026 0.4527 0.9000 ( 3650 PWs) bands (ev): -30.8873 -30.8873 -30.8811 -30.8811 -11.9803 -11.9803 -11.9600 -11.9600 -10.6091 -10.6091 -10.5919 -10.5919 -10.5328 -10.5328 -10.4772 -10.4772 0.7123 0.7123 1.9001 1.9001 2.9078 2.9078 4.9947 4.9947 6.6661 6.6661 7.1485 7.1485 7.3266 7.3266 8.8938 8.8938 9.4003 9.4003 9.6572 9.6572 11.4141 11.4141 12.8245 12.8245 12.9066 12.9066 13.0057 13.0057 14.0003 14.0003 k = 0.1090 0.4377 0.9164 ( 3648 PWs) bands (ev): -30.8870 -30.8870 -30.8810 -30.8810 -11.9808 -11.9808 -11.9611 -11.9611 -10.6098 -10.6098 -10.5917 -10.5917 -10.5346 -10.5346 -10.4795 -10.4795 0.7358 0.7358 1.8928 1.8928 2.9300 2.9300 4.9606 4.9606 6.6394 6.6394 7.1443 7.1443 7.3355 7.3355 8.8520 8.8520 9.3364 9.3364 9.6164 9.6164 11.4572 11.4572 12.8276 12.8276 12.9876 12.9876 13.0707 13.0707 14.0119 14.0119 k = 0.1154 0.4226 0.9328 ( 3646 PWs) bands (ev): -30.8866 -30.8866 -30.8808 -30.8808 -11.9813 -11.9813 -11.9622 -11.9622 -10.6107 -10.6107 -10.5915 -10.5915 -10.5362 -10.5362 -10.4818 -10.4818 0.7604 0.7604 1.8844 1.8844 2.9534 2.9534 4.9225 4.9225 6.6180 6.6180 7.1391 7.1391 7.3454 7.3454 8.8107 8.8107 9.2749 9.2749 9.5746 9.5746 11.5001 11.5001 12.7687 12.7687 13.0435 13.0435 13.2319 13.2319 14.0290 14.0290 k = 0.1218 0.4076 0.9491 ( 3654 PWs) bands (ev): -30.8863 -30.8863 -30.8807 -30.8807 -11.9818 -11.9818 -11.9633 -11.9633 -10.6116 -10.6116 -10.5915 -10.5915 -10.5376 -10.5376 -10.4841 -10.4841 0.7861 0.7861 1.8750 1.8750 2.9781 2.9781 4.8803 4.8803 6.6020 6.6020 7.1328 7.1328 7.3564 7.3564 8.7698 8.7698 9.2160 9.2160 9.5323 9.5323 11.5428 11.5428 12.6976 12.6976 13.1201 13.1201 13.3927 13.3927 14.0519 14.0519 k = 0.1282 0.3925 0.9655 ( 3656 PWs) bands (ev): -30.8860 -30.8860 -30.8806 -30.8806 -11.9823 -11.9823 -11.9645 -11.9645 -10.6126 -10.6126 -10.5916 -10.5916 -10.5389 -10.5389 -10.4864 -10.4864 0.8129 0.8129 1.8645 1.8645 3.0040 3.0040 4.8343 4.8343 6.5915 6.5915 7.1254 7.1254 7.3685 7.3685 8.7291 8.7291 9.1598 9.1598 9.4894 9.4894 11.5853 11.5853 12.6284 12.6284 13.2039 13.2039 13.5512 13.5512 14.0810 14.0810 k = 0.1346 0.3775 0.9819 ( 3648 PWs) bands (ev): -30.8857 -30.8857 -30.8805 -30.8805 -11.9828 -11.9828 -11.9657 -11.9657 -10.6136 -10.6136 -10.5919 -10.5919 -10.5399 -10.5399 -10.4885 -10.4885 0.8407 0.8407 1.8527 1.8527 3.0312 3.0312 4.7849 4.7849 6.5860 6.5860 7.1170 7.1170 7.3819 7.3819 8.6888 8.6888 9.1065 9.1065 9.4459 9.4459 11.6276 11.6276 12.5644 12.5644 13.2919 13.2919 13.7056 13.7056 14.1170 14.1170 k = 0.1410 0.3624 0.9982 ( 3650 PWs) bands (ev): -30.8853 -30.8853 -30.8804 -30.8804 -11.9832 -11.9832 -11.9670 -11.9670 -10.6147 -10.6147 -10.5923 -10.5923 -10.5407 -10.5407 -10.4907 -10.4907 0.8694 0.8694 1.8397 1.8397 3.0596 3.0596 4.7325 4.7325 6.5853 6.5853 7.1077 7.1077 7.3966 7.3966 8.6486 8.6486 9.0561 9.0561 9.4021 9.4021 11.6697 11.6697 12.5067 12.5067 13.3831 13.3831 13.8530 13.8530 14.1616 14.1616 k = 0.1474 0.3473 1.0146 ( 3648 PWs) bands (ev): -30.8850 -30.8850 -30.8803 -30.8803 -11.9837 -11.9837 -11.9682 -11.9682 -10.6159 -10.6159 -10.5929 -10.5929 -10.5412 -10.5412 -10.4927 -10.4927 0.8990 0.8990 1.8255 1.8255 3.0892 3.0892 4.6776 4.6776 6.5890 6.5890 7.0974 7.0974 7.4127 7.4127 8.6085 8.6085 9.0088 9.0088 9.3577 9.3577 11.7116 11.7116 12.4558 12.4558 13.4769 13.4769 13.9884 13.9884 14.2187 14.2187 k = 0.1538 0.3323 1.0310 ( 3644 PWs) bands (ev): -30.8847 -30.8847 -30.8802 -30.8802 -11.9841 -11.9841 -11.9694 -11.9694 -10.6171 -10.6171 -10.5936 -10.5936 -10.5415 -10.5415 -10.4947 -10.4947 0.9295 0.9295 1.8099 1.8099 3.1201 3.1201 4.6205 4.6205 6.5964 6.5964 7.0863 7.0863 7.4303 7.4303 8.5685 8.5685 8.9648 8.9648 9.3130 9.3130 11.7533 11.7533 12.4118 12.4118 13.5731 13.5731 14.1039 14.1039 14.2948 14.2948 k = 0.1603 0.3172 1.0473 ( 3642 PWs) bands (ev): -30.8843 -30.8843 -30.8802 -30.8802 -11.9845 -11.9845 -11.9707 -11.9707 -10.6183 -10.6183 -10.5945 -10.5945 -10.5416 -10.5416 -10.4966 -10.4966 0.9607 0.9607 1.7931 1.7931 3.1522 3.1522 4.5618 4.5618 6.6072 6.6072 7.0746 7.0746 7.4497 7.4497 8.5284 8.5284 8.9241 8.9241 9.2679 9.2679 11.7946 11.7946 12.3747 12.3747 13.6714 13.6714 14.1950 14.1950 14.3932 14.3932 k = 0.1667 0.3022 1.0637 ( 3648 PWs) bands (ev): -30.8840 -30.8840 -30.8801 -30.8801 -11.9849 -11.9849 -11.9719 -11.9719 -10.6195 -10.6195 -10.5954 -10.5954 -10.5415 -10.5415 -10.4984 -10.4984 0.9925 0.9925 1.7749 1.7749 3.1856 3.1856 4.5018 4.5018 6.6207 6.6207 7.0622 7.0622 7.4709 7.4709 8.4883 8.4883 8.8868 8.8868 9.2226 9.2226 11.8356 11.8356 12.3442 12.3442 13.7715 13.7715 14.2697 14.2697 14.5045 14.5045 k = 0.1731 0.2871 1.0801 ( 3650 PWs) bands (ev): -30.8837 -30.8837 -30.8801 -30.8801 -11.9852 -11.9852 -11.9731 -11.9731 -10.6207 -10.6207 -10.5965 -10.5965 -10.5412 -10.5412 -10.5001 -10.5001 1.0250 1.0250 1.7554 1.7554 3.2203 3.2203 4.4411 4.4411 6.6365 6.6365 7.0492 7.0492 7.4940 7.4940 8.4480 8.4480 8.8530 8.8530 9.1772 9.1772 11.8761 11.8761 12.3202 12.3202 13.8734 13.8734 14.3382 14.3382 14.6173 14.6173 k = 0.1795 0.2721 1.0964 ( 3656 PWs) bands (ev): -30.8834 -30.8834 -30.8800 -30.8800 -11.9855 -11.9855 -11.9743 -11.9743 -10.6219 -10.6219 -10.5976 -10.5976 -10.5407 -10.5407 -10.5017 -10.5017 1.0580 1.0580 1.7345 1.7345 3.2563 3.2563 4.3798 4.3798 6.6539 6.6539 7.0358 7.0358 7.5192 7.5192 8.4074 8.4074 8.8228 8.8228 9.1319 9.1319 11.9159 11.9159 12.3019 12.3019 13.9767 13.9767 14.4056 14.4056 14.7248 14.7248 k = 0.1859 0.2570 1.1128 ( 3662 PWs) bands (ev): -30.8831 -30.8831 -30.8800 -30.8800 -11.9857 -11.9857 -11.9754 -11.9754 -10.6230 -10.6230 -10.5987 -10.5987 -10.5402 -10.5402 -10.5033 -10.5033 1.0914 1.0914 1.7124 1.7124 3.2936 3.2936 4.3185 4.3185 6.6727 6.6727 7.0221 7.0221 7.5465 7.5465 8.3666 8.3666 8.7964 8.7964 9.0872 9.0872 11.9548 11.9548 12.2887 12.2887 14.0813 14.0813 14.4740 14.4740 14.8235 14.8235 k = 0.1923 0.2419 1.1292 ( 3664 PWs) bands (ev): -30.8828 -30.8828 -30.8800 -30.8800 -11.9859 -11.9859 -11.9766 -11.9766 -10.6241 -10.6241 -10.5998 -10.5998 -10.5395 -10.5395 -10.5047 -10.5047 1.1252 1.1252 1.6890 1.6890 3.3322 3.3322 4.2572 4.2572 6.6923 6.6923 7.0080 7.0080 7.5760 7.5760 8.3253 8.3253 8.7737 8.7737 9.0433 9.0433 11.9927 11.9927 12.2799 12.2799 14.1867 14.1867 14.5441 14.5441 14.9099 14.9099 k = 0.1987 0.2269 1.1455 ( 3666 PWs) bands (ev): -30.8825 -30.8825 -30.8800 -30.8800 -11.9860 -11.9860 -11.9776 -11.9776 -10.6251 -10.6251 -10.6009 -10.6009 -10.5388 -10.5388 -10.5061 -10.5061 1.1593 1.1593 1.6644 1.6644 3.3722 3.3722 4.1964 4.1964 6.7123 6.7123 6.9937 6.9937 7.6078 7.6078 8.2835 8.2835 8.7549 8.7549 9.0006 9.0006 12.0292 12.0292 12.2745 12.2745 14.2923 14.2923 14.6160 14.6160 14.9487 14.9487 k = 0.2051 0.2118 1.1619 ( 3664 PWs) bands (ev): -30.8822 -30.8822 -30.8801 -30.8801 -11.9860 -11.9860 -11.9786 -11.9786 -10.6260 -10.6260 -10.6019 -10.6019 -10.5380 -10.5380 -10.5073 -10.5073 1.1935 1.1935 1.6386 1.6386 3.4136 3.4136 4.1361 4.1361 6.7324 6.7324 6.9791 6.9791 7.6418 7.6418 8.2412 8.2412 8.7400 8.7400 8.9597 8.9597 12.0640 12.0640 12.2717 12.2717 14.3969 14.3969 14.6892 14.6892 14.9192 14.9192 k = 0.2115 0.1968 1.1782 ( 3668 PWs) bands (ev): -30.8820 -30.8820 -30.8801 -30.8801 -11.9860 -11.9860 -11.9796 -11.9796 -10.6268 -10.6268 -10.6028 -10.6028 -10.5373 -10.5373 -10.5085 -10.5085 1.2278 1.2278 1.6117 1.6117 3.4563 3.4563 4.0767 4.0767 6.7525 6.7525 6.9644 6.9644 7.6779 7.6779 8.1983 8.1983 8.7291 8.7291 8.9209 8.9209 12.0968 12.0968 12.2704 12.2704 14.4984 14.4984 14.7623 14.7623 14.8986 14.8986 k = 0.2179 0.1817 1.1946 ( 3674 PWs) bands (ev): -30.8817 -30.8817 -30.8802 -30.8802 -11.9859 -11.9859 -11.9805 -11.9805 -10.6275 -10.6275 -10.6036 -10.6036 -10.5366 -10.5366 -10.5095 -10.5095 1.2621 1.2621 1.5837 1.5837 3.5003 3.5003 4.0181 4.0181 6.7721 6.7721 6.9495 6.9495 7.7160 7.7160 8.1548 8.1548 8.7221 8.7221 8.8848 8.8848 12.1272 12.1272 12.2696 12.2696 14.5917 14.5917 14.8309 14.8309 14.8952 14.8952 k = 0.2244 0.1667 1.2110 ( 3682 PWs) bands (ev): -30.8815 -30.8815 -30.8802 -30.8802 -11.9857 -11.9857 -11.9814 -11.9814 -10.6281 -10.6281 -10.6043 -10.6043 -10.5359 -10.5359 -10.5103 -10.5103 1.2963 1.2963 1.5547 1.5547 3.5458 3.5458 3.9607 3.9607 6.7912 6.7912 6.9345 6.9345 7.7559 7.7559 8.1107 8.1107 8.7193 8.7193 8.8518 8.8518 12.1548 12.1548 12.2685 12.2685 14.6672 14.6672 14.8806 14.8806 14.9175 14.9175 k = 0.2308 0.1516 1.2273 ( 3688 PWs) bands (ev): -30.8813 -30.8813 -30.8803 -30.8803 -11.9855 -11.9855 -11.9821 -11.9821 -10.6286 -10.6286 -10.6048 -10.6048 -10.5354 -10.5354 -10.5110 -10.5110 1.3303 1.3303 1.5248 1.5248 3.5927 3.5927 3.9044 3.9044 6.8095 6.8095 6.9195 6.9195 7.7972 7.7972 8.0663 8.0663 8.7204 8.7204 8.8223 8.8223 12.1790 12.1790 12.2663 12.2663 14.7164 14.7164 14.8861 14.8861 14.9655 14.9655 k = 0.2372 0.1365 1.2437 ( 3690 PWs) bands (ev): -30.8811 -30.8811 -30.8805 -30.8805 -11.9852 -11.9852 -11.9828 -11.9828 -10.6289 -10.6289 -10.6052 -10.6052 -10.5350 -10.5350 -10.5115 -10.5115 1.3639 1.3639 1.4940 1.4940 3.6408 3.6408 3.8495 3.8495 6.8266 6.8266 6.9049 6.9049 7.8396 7.8396 8.0218 8.0218 8.7252 8.7252 8.7969 8.7969 12.1992 12.1992 12.2626 12.2626 14.7464 14.7464 14.8582 14.8582 15.0423 15.0423 k = 0.2436 0.1215 1.2601 ( 3686 PWs) bands (ev): -30.8809 -30.8809 -30.8806 -30.8806 -11.9849 -11.9849 -11.9834 -11.9834 -10.6291 -10.6291 -10.6054 -10.6054 -10.5347 -10.5347 -10.5119 -10.5119 1.3971 1.3971 1.4626 1.4626 3.6899 3.6899 3.7962 3.7962 6.8411 6.8411 6.8918 6.8918 7.8820 7.8820 7.9782 7.9782 8.7327 8.7327 8.7770 8.7770 12.2141 12.2141 12.2579 12.2579 14.7705 14.7705 14.8261 14.8261 15.1233 15.1233 k = 0.2500 0.1064 1.2764 ( 3684 PWs) bands (ev): -30.8807 -30.8807 -30.8807 -30.8807 -11.9847 -11.9847 -11.9836 -11.9836 -10.6292 -10.6292 -10.6055 -10.6055 -10.5346 -10.5346 -10.5120 -10.5120 1.4264 1.4264 1.4339 1.4339 3.7307 3.7307 3.7541 3.7541 6.8481 6.8481 6.8853 6.8853 7.9126 7.9126 7.9472 7.9472 8.7379 8.7379 8.7677 8.7677 12.2202 12.2202 12.2553 12.2553 14.7931 14.7931 14.7998 14.7998 15.1699 15.1699 k = 0.2500 0.1064 1.2764 ( 3684 PWs) bands (ev): -30.8807 -30.8807 -30.8807 -30.8807 -11.9847 -11.9847 -11.9836 -11.9836 -10.6292 -10.6292 -10.6055 -10.6055 -10.5346 -10.5346 -10.5120 -10.5120 1.4264 1.4264 1.4339 1.4339 3.7307 3.7307 3.7541 3.7541 6.8481 6.8481 6.8853 6.8853 7.9126 7.9126 7.9472 7.9472 8.7379 8.7379 8.7677 8.7677 12.2202 12.2202 12.2553 12.2553 14.7931 14.7931 14.7998 14.7998 15.1699 15.1699 k = 0.2692 0.1146 1.2675 ( 3684 PWs) bands (ev): -30.8808 -30.8808 -30.8807 -30.8807 -11.9847 -11.9847 -11.9836 -11.9836 -10.6291 -10.6291 -10.6056 -10.6056 -10.5345 -10.5345 -10.5120 -10.5120 1.4178 1.4178 1.4424 1.4424 3.7205 3.7205 3.7645 3.7645 6.8470 6.8470 6.8861 6.8861 7.9070 7.9070 7.9548 7.9548 8.7357 8.7357 8.7676 8.7676 12.2226 12.2226 12.2583 12.2583 14.7788 14.7788 14.7904 14.7904 15.1548 15.1548 k = 0.2885 0.1228 1.2586 ( 3686 PWs) bands (ev): -30.8808 -30.8808 -30.8806 -30.8806 -11.9848 -11.9848 -11.9835 -11.9835 -10.6288 -10.6288 -10.6059 -10.6059 -10.5342 -10.5342 -10.5122 -10.5122 1.4078 1.4078 1.4520 1.4520 3.7062 3.7062 3.7794 3.7794 6.8443 6.8443 6.8879 6.8879 7.8982 7.8982 7.9698 7.9698 8.7303 8.7303 8.7665 8.7665 12.2304 12.2304 12.2660 12.2660 14.7450 14.7450 14.7556 14.7556 15.1167 15.1167 k = 0.3077 0.1310 1.2497 ( 3684 PWs) bands (ev): -30.8809 -30.8809 -30.8806 -30.8806 -11.9848 -11.9848 -11.9834 -11.9834 -10.6284 -10.6284 -10.6064 -10.6064 -10.5337 -10.5337 -10.5125 -10.5125 1.3991 1.3991 1.4598 1.4598 3.6942 3.6942 3.7927 3.7927 6.8408 6.8408 6.8901 6.8901 7.8913 7.8913 7.9864 7.9864 8.7226 8.7226 8.7637 8.7637 12.2436 12.2436 12.2778 12.2778 14.6830 14.6830 14.7137 14.7137 15.0788 15.0788 k = 0.3269 0.1392 1.2408 ( 3674 PWs) bands (ev): -30.8809 -30.8809 -30.8806 -30.8806 -11.9848 -11.9848 -11.9833 -11.9833 -10.6279 -10.6279 -10.6070 -10.6070 -10.5331 -10.5331 -10.5129 -10.5129 1.3920 1.3920 1.4655 1.4655 3.6851 3.6851 3.8036 3.8036 6.8374 6.8374 6.8919 6.8919 7.8876 7.8876 8.0030 8.0030 8.7134 8.7134 8.7590 8.7590 12.2615 12.2615 12.2933 12.2933 14.6073 14.6073 14.6620 14.6620 15.0514 15.0514 k = 0.3462 0.1474 1.2319 ( 3669 PWs) bands (ev): -30.8809 -30.8809 -30.8806 -30.8806 -11.9848 -11.9848 -11.9832 -11.9832 -10.6272 -10.6272 -10.6078 -10.6078 -10.5322 -10.5322 -10.5134 -10.5134 1.3866 1.3866 1.4690 1.4690 3.6795 3.6795 3.8117 3.8117 6.8345 6.8345 6.8930 6.8930 7.8875 7.8875 8.0187 8.0187 8.7033 8.7033 8.7526 8.7526 12.2825 12.2825 12.3123 12.3123 14.5273 14.5273 14.6022 14.6022 15.0350 15.0350 k = 0.3654 0.1556 1.2230 ( 3666 PWs) bands (ev): -30.8810 -30.8810 -30.8806 -30.8806 -11.9848 -11.9848 -11.9831 -11.9831 -10.6263 -10.6263 -10.6088 -10.6088 -10.5312 -10.5312 -10.5140 -10.5140 1.3829 1.3829 1.4700 1.4700 3.6775 3.6775 3.8169 3.8169 6.8324 6.8324 6.8932 6.8932 7.8910 7.8910 8.0324 8.0324 8.6932 8.6932 8.7448 8.7448 12.3050 12.3050 12.3342 12.3342 14.4490 14.4490 14.5383 14.5383 15.0273 15.0273 k = 0.3846 0.1637 1.2141 ( 3668 PWs) bands (ev): -30.8810 -30.8810 -30.8806 -30.8806 -11.9848 -11.9848 -11.9830 -11.9830 -10.6254 -10.6254 -10.6098 -10.6098 -10.5301 -10.5301 -10.5148 -10.5148 1.3809 1.3809 1.4685 1.4685 3.6792 3.6792 3.8192 3.8192 6.8316 6.8316 6.8923 6.8923 7.8981 7.8981 8.0433 8.0433 8.6838 8.6838 8.7362 8.7362 12.3276 12.3276 12.3577 12.3577 14.3765 14.3765 14.4740 14.4740 15.0260 15.0260 k = 0.4038 0.1719 1.2052 ( 3669 PWs) bands (ev): -30.8810 -30.8810 -30.8806 -30.8806 -11.9847 -11.9847 -11.9829 -11.9829 -10.6243 -10.6243 -10.6109 -10.6109 -10.5288 -10.5288 -10.5156 -10.5156 1.3807 1.3807 1.4645 1.4645 3.6847 3.6847 3.8184 3.8184 6.8321 6.8321 6.8901 6.8901 7.9086 7.9086 8.0505 8.0505 8.6760 8.6760 8.7273 8.7273 12.3495 12.3495 12.3808 12.3808 14.3134 14.3134 14.4124 14.4124 15.0292 15.0292 k = 0.4231 0.1801 1.1963 ( 3663 PWs) bands (ev): -30.8810 -30.8810 -30.8806 -30.8806 -11.9846 -11.9846 -11.9828 -11.9828 -10.6231 -10.6231 -10.6120 -10.6120 -10.5275 -10.5275 -10.5166 -10.5166 1.3823 1.3823 1.4580 1.4580 3.6940 3.6940 3.8146 3.8146 6.8342 6.8342 6.8867 6.8867 7.9223 7.9223 8.0529 8.0529 8.6709 8.6709 8.7186 8.7186 12.3699 12.3699 12.4008 12.4008 14.2627 14.2627 14.3561 14.3561 15.0356 15.0356 k = 0.4423 0.1883 1.1874 ( 3667 PWs) bands (ev): -30.8810 -30.8810 -30.8807 -30.8807 -11.9844 -11.9844 -11.9827 -11.9827 -10.6219 -10.6219 -10.6131 -10.6131 -10.5261 -10.5261 -10.5177 -10.5177 1.3857 1.3857 1.4489 1.4489 3.7071 3.7071 3.8076 3.8076 6.8379 6.8379 6.8820 6.8820 7.9388 7.9388 8.0499 8.0499 8.6693 8.6693 8.7108 8.7108 12.3876 12.3876 12.4155 12.4155 14.2268 14.2268 14.3072 14.3072 15.0440 15.0440 k = 0.4615 0.1965 1.1785 ( 3661 PWs) bands (ev): -30.8810 -30.8810 -30.8808 -30.8808 -11.9843 -11.9843 -11.9826 -11.9826 -10.6207 -10.6207 -10.6140 -10.6140 -10.5247 -10.5247 -10.5188 -10.5188 1.3911 1.3911 1.4374 1.4374 3.7240 3.7240 3.7976 3.7976 6.8434 6.8434 6.8760 6.8760 7.9576 7.9576 8.0409 8.0409 8.6717 8.6717 8.7046 8.7046 12.4016 12.4016 12.4231 12.4231 14.2075 14.2075 14.2674 14.2674 15.0534 15.0534 k = 0.4808 0.2047 1.1697 ( 3661 PWs) bands (ev): -30.8810 -30.8810 -30.8808 -30.8808 -11.9842 -11.9842 -11.9825 -11.9825 -10.6197 -10.6197 -10.6147 -10.6147 -10.5234 -10.5234 -10.5199 -10.5199 1.3983 1.3983 1.4236 1.4236 3.7445 3.7445 3.7846 3.7846 6.8506 6.8506 6.8687 6.8687 7.9775 7.9775 8.0264 8.0264 8.6780 8.6780 8.7010 8.7010 12.4105 12.4105 12.4227 12.4227 14.2057 14.2057 14.2384 14.2384 15.0619 15.0619 k = 0.5000 0.2129 1.1608 ( 3660 PWs) bands (ev): -30.8809 -30.8809 -30.8809 -30.8809 -11.9841 -11.9841 -11.9823 -11.9823 -10.6192 -10.6192 -10.6147 -10.6147 -10.5227 -10.5227 -10.5205 -10.5205 1.4063 1.4063 1.4085 1.4085 3.7677 3.7677 3.7694 3.7694 6.8580 6.8580 6.8618 6.8618 7.9915 7.9915 8.0134 8.0134 8.6854 8.6854 8.7033 8.7033 12.4119 12.4119 12.4154 12.4154 14.2205 14.2205 14.2221 14.2221 15.0654 15.0654 k = 0.5000 0.2129 1.1608 ( 3660 PWs) bands (ev): -30.8809 -30.8809 -30.8809 -30.8809 -11.9841 -11.9841 -11.9823 -11.9823 -10.6192 -10.6192 -10.6147 -10.6147 -10.5227 -10.5227 -10.5205 -10.5205 1.4063 1.4063 1.4085 1.4085 3.7677 3.7677 3.7694 3.7694 6.8580 6.8580 6.8618 6.8618 7.9915 7.9915 8.0134 8.0134 8.6854 8.6854 8.7033 8.7033 12.4119 12.4119 12.4154 12.4154 14.2205 14.2205 14.2221 14.2221 15.0654 15.0654 k = 0.5000 0.2129 1.1380 ( 3660 PWs) bands (ev): -30.8810 -30.8810 -30.8810 -30.8810 -11.9838 -11.9838 -11.9817 -11.9817 -10.6189 -10.6189 -10.6135 -10.6135 -10.5227 -10.5227 -10.5201 -10.5201 1.3961 1.3961 1.3988 1.3988 3.7793 3.7793 3.7812 3.7812 6.8587 6.8587 6.8632 6.8632 7.9885 7.9885 8.0132 8.0132 8.7024 8.7024 8.7224 8.7224 12.3949 12.3949 12.3990 12.3990 14.2366 14.2366 14.2389 14.2389 15.0623 15.0623 k = 0.5000 0.2129 1.1152 ( 3664 PWs) bands (ev): -30.8811 -30.8811 -30.8811 -30.8811 -11.9835 -11.9835 -11.9811 -11.9811 -10.6185 -10.6185 -10.6121 -10.6121 -10.5228 -10.5228 -10.5197 -10.5197 1.3841 1.3841 1.3872 1.3872 3.7932 3.7932 3.7954 3.7954 6.8594 6.8594 6.8644 6.8644 7.9862 7.9862 8.0130 8.0130 8.7222 8.7222 8.7436 8.7436 12.3785 12.3785 12.3831 12.3831 14.2519 14.2519 14.2547 14.2547 15.0557 15.0557 k = 0.5000 0.2129 1.0925 ( 3652 PWs) bands (ev): -30.8813 -30.8813 -30.8813 -30.8813 -11.9831 -11.9831 -11.9804 -11.9804 -10.6180 -10.6180 -10.6107 -10.6107 -10.5228 -10.5228 -10.5193 -10.5193 1.3702 1.3702 1.3737 1.3737 3.8096 3.8096 3.8120 3.8120 6.8598 6.8598 6.8654 6.8654 7.9848 7.9848 8.0132 8.0132 8.7442 8.7442 8.7666 8.7666 12.3638 12.3638 12.3689 12.3689 14.2653 14.2653 14.2687 14.2687 15.0417 15.0417 k = 0.5000 0.2129 1.0697 ( 3640 PWs) bands (ev): -30.8814 -30.8814 -30.8814 -30.8814 -11.9826 -11.9826 -11.9796 -11.9796 -10.6173 -10.6173 -10.6091 -10.6091 -10.5228 -10.5228 -10.5188 -10.5188 1.3543 1.3543 1.3582 1.3582 3.8285 3.8285 3.8312 3.8312 6.8599 6.8599 6.8659 6.8659 7.9846 7.9846 8.0140 8.0140 8.7683 8.7683 8.7910 8.7910 12.3521 12.3521 12.3576 12.3576 14.2763 14.2763 14.2804 14.2804 15.0136 15.0136 k = 0.5000 0.2129 1.0470 ( 3644 PWs) bands (ev): -30.8815 -30.8815 -30.8815 -30.8815 -11.9821 -11.9821 -11.9787 -11.9787 -10.6165 -10.6165 -10.6074 -10.6074 -10.5228 -10.5228 -10.5183 -10.5183 1.3365 1.3365 1.3408 1.3408 3.8502 3.8502 3.8530 3.8530 6.8595 6.8595 6.8659 6.8659 7.9858 7.9858 8.0157 8.0157 8.7941 8.7941 8.8166 8.8166 12.3443 12.3443 12.3501 12.3501 14.2848 14.2848 14.2894 14.2894 14.9651 14.9651 k = 0.5000 0.2129 1.0242 ( 3650 PWs) bands (ev): -30.8817 -30.8817 -30.8817 -30.8817 -11.9815 -11.9815 -11.9778 -11.9778 -10.6156 -10.6156 -10.6055 -10.6055 -10.5228 -10.5228 -10.5177 -10.5177 1.3167 1.3167 1.3214 1.3214 3.8746 3.8746 3.8776 3.8776 6.8585 6.8585 6.8651 6.8651 7.9886 7.9886 8.0185 8.0185 8.8212 8.8212 8.8431 8.8431 12.3412 12.3412 12.3473 12.3473 14.2906 14.2906 14.2957 14.2957 14.8959 14.8960 k = 0.5000 0.2129 1.0014 ( 3644 PWs) bands (ev): -30.8819 -30.8819 -30.8819 -30.8819 -11.9808 -11.9808 -11.9768 -11.9768 -10.6146 -10.6146 -10.6035 -10.6035 -10.5227 -10.5227 -10.5171 -10.5171 1.2950 1.2950 1.3000 1.3000 3.9018 3.9018 3.9049 3.9049 6.8566 6.8566 6.8636 6.8636 7.9931 7.9931 8.0227 8.0227 8.8495 8.8495 8.8704 8.8704 12.3436 12.3436 12.3499 12.3499 14.2940 14.2940 14.2995 14.2995 14.8121 14.8121 k = 0.5000 0.2129 0.9787 ( 3640 PWs) bands (ev): -30.8821 -30.8821 -30.8821 -30.8821 -11.9800 -11.9800 -11.9758 -11.9758 -10.6134 -10.6134 -10.6015 -10.6015 -10.5226 -10.5226 -10.5165 -10.5165 1.2714 1.2714 1.2767 1.2767 3.9319 3.9319 3.9352 3.9352 6.8539 6.8539 6.8611 6.8611 7.9994 7.9994 8.0284 8.0284 8.8787 8.8787 8.8983 8.8983 12.3521 12.3521 12.3585 12.3585 14.2952 14.2952 14.3010 14.3010 14.7194 14.7194 k = 0.5000 0.2129 0.9559 ( 3642 PWs) bands (ev): -30.8823 -30.8823 -30.8823 -30.8823 -11.9792 -11.9792 -11.9747 -11.9747 -10.6121 -10.6121 -10.5993 -10.5993 -10.5225 -10.5225 -10.5158 -10.5158 1.2459 1.2459 1.2515 1.2515 3.9650 3.9650 3.9683 3.9683 6.8502 6.8502 6.8577 6.8577 8.0077 8.0077 8.0358 8.0358 8.9086 8.9086 8.9267 8.9267 12.3671 12.3671 12.3736 12.3736 14.2943 14.2943 14.3003 14.3003 14.6215 14.6215 k = 0.5000 0.2129 0.9332 ( 3648 PWs) bands (ev): -30.8825 -30.8825 -30.8825 -30.8825 -11.9783 -11.9783 -11.9736 -11.9736 -10.6108 -10.6108 -10.5969 -10.5969 -10.5224 -10.5224 -10.5151 -10.5151 1.2185 1.2185 1.2245 1.2245 4.0010 4.0010 4.0044 4.0044 6.8455 6.8455 6.8532 6.8532 8.0179 8.0179 8.0450 8.0450 8.9391 8.9391 8.9555 8.9555 12.3889 12.3889 12.3954 12.3954 14.2914 14.2914 14.2972 14.2972 14.5205 14.5205 k = 0.5000 0.2129 0.9104 ( 3648 PWs) bands (ev): -30.8828 -30.8828 -30.8828 -30.8828 -11.9774 -11.9774 -11.9724 -11.9724 -10.6093 -10.6093 -10.5945 -10.5945 -10.5223 -10.5223 -10.5143 -10.5143 1.1894 1.1894 1.1956 1.1956 4.0399 4.0399 4.0434 4.0434 6.8397 6.8397 6.8476 6.8476 8.0303 8.0303 8.0562 8.0562 8.9702 8.9702 8.9846 8.9846 12.4178 12.4178 12.4242 12.4242 14.2864 14.2864 14.2910 14.2910 14.4182 14.4182 k = 0.5000 0.2129 0.8876 ( 3648 PWs) bands (ev): -30.8830 -30.8830 -30.8830 -30.8830 -11.9763 -11.9763 -11.9712 -11.9712 -10.6077 -10.6077 -10.5920 -10.5920 -10.5222 -10.5222 -10.5135 -10.5135 1.1586 1.1586 1.1650 1.1650 4.0818 4.0818 4.0853 4.0853 6.8327 6.8327 6.8410 6.8410 8.0446 8.0446 8.0694 8.0694 9.0018 9.0018 9.0142 9.0142 12.4538 12.4538 12.4600 12.4600 14.2721 14.2721 14.2778 14.2778 14.3245 14.3245 k = 0.5000 0.2129 0.8649 ( 3648 PWs) bands (ev): -30.8833 -30.8833 -30.8833 -30.8833 -11.9753 -11.9753 -11.9699 -11.9699 -10.6061 -10.6061 -10.5893 -10.5893 -10.5220 -10.5220 -10.5126 -10.5126 1.1262 1.1262 1.1328 1.1328 4.1265 4.1265 4.1300 4.1300 6.8248 6.8248 6.8333 6.8333 8.0611 8.0611 8.0846 8.0846 9.0340 9.0340 9.0443 9.0443 12.4968 12.4968 12.5028 12.5028 14.1907 14.1907 14.2169 14.2169 14.2753 14.2753 k = 0.5000 0.2129 0.8421 ( 3650 PWs) bands (ev): -30.8835 -30.8835 -30.8835 -30.8835 -11.9741 -11.9741 -11.9686 -11.9686 -10.6043 -10.6043 -10.5866 -10.5866 -10.5218 -10.5218 -10.5117 -10.5117 1.0922 1.0922 1.0991 1.0991 4.1739 4.1739 4.1775 4.1775 6.8159 6.8159 6.8248 6.8248 8.0794 8.0794 8.1019 8.1019 9.0667 9.0667 9.0750 9.0750 12.5466 12.5466 12.5523 12.5523 14.0832 14.0832 14.1072 14.1072 14.2619 14.2619 k = 0.5000 0.2129 0.8194 ( 3654 PWs) bands (ev): -30.8838 -30.8838 -30.8838 -30.8838 -11.9729 -11.9729 -11.9672 -11.9672 -10.6025 -10.6025 -10.5838 -10.5838 -10.5216 -10.5216 -10.5108 -10.5108 1.0570 1.0570 1.0639 1.0639 4.2240 4.2240 4.2275 4.2275 6.8061 6.8061 6.8155 6.8155 8.0997 8.0997 8.1212 8.1212 9.1002 9.1002 9.1064 9.1064 12.6029 12.6029 12.6083 12.6083 13.9713 13.9713 13.9939 13.9939 14.2466 14.2466 k = 0.5000 0.2129 0.7966 ( 3658 PWs) bands (ev): -30.8841 -30.8841 -30.8841 -30.8841 -11.9717 -11.9717 -11.9658 -11.9658 -10.6005 -10.6005 -10.5809 -10.5809 -10.5214 -10.5214 -10.5098 -10.5098 1.0204 1.0204 1.0275 1.0275 4.2766 4.2766 4.2801 4.2801 6.7957 6.7957 6.8055 6.8055 8.1218 8.1218 8.1424 8.1424 9.1344 9.1344 9.1387 9.1387 12.6650 12.6650 12.6701 12.6701 13.8569 13.8569 13.8783 13.8783 14.2273 14.2273 k = 0.5000 0.2129 0.7738 ( 3652 PWs) bands (ev): -30.8844 -30.8844 -30.8844 -30.8844 -11.9704 -11.9704 -11.9644 -11.9644 -10.5985 -10.5985 -10.5779 -10.5779 -10.5211 -10.5211 -10.5088 -10.5088 0.9828 0.9828 0.9900 0.9900 4.3316 4.3316 4.3350 4.3350 6.7849 6.7849 6.7952 6.7952 8.1456 8.1456 8.1654 8.1654 9.1696 9.1696 9.1721 9.1721 12.7322 12.7322 12.7371 12.7371 13.7406 13.7406 13.7610 13.7610 14.2032 14.2033 k = 0.5000 0.2129 0.7511 ( 3656 PWs) bands (ev): -30.8847 -30.8847 -30.8847 -30.8847 -11.9691 -11.9691 -11.9629 -11.9629 -10.5965 -10.5965 -10.5748 -10.5748 -10.5209 -10.5209 -10.5077 -10.5077 0.9442 0.9442 0.9514 0.9514 4.3887 4.3887 4.3921 4.3921 6.7739 6.7739 6.7847 6.7847 8.1708 8.1708 8.1901 8.1901 9.2058 9.2058 9.2067 9.2067 12.8031 12.8031 12.8079 12.8079 13.6233 13.6233 13.6426 13.6426 14.1738 14.1738 k = 0.5000 0.2129 0.7283 ( 3664 PWs) bands (ev): -30.8850 -30.8850 -30.8850 -30.8850 -11.9677 -11.9677 -11.9614 -11.9614 -10.5944 -10.5944 -10.5717 -10.5717 -10.5206 -10.5206 -10.5065 -10.5065 0.9047 0.9047 0.9120 0.9120 4.4477 4.4477 4.4510 4.4510 6.7629 6.7629 6.7744 6.7744 8.1974 8.1974 8.2163 8.2163 9.2429 9.2429 9.2434 9.2434 12.8752 12.8752 12.8801 12.8801 13.5071 13.5071 13.5249 13.5249 14.1389 14.1389 k = 0.5000 0.2129 0.7056 ( 3662 PWs) bands (ev): -30.8853 -30.8853 -30.8853 -30.8853 -11.9662 -11.9662 -11.9599 -11.9599 -10.5922 -10.5922 -10.5686 -10.5686 -10.5203 -10.5203 -10.5054 -10.5054 0.8646 0.8646 0.8719 0.8719 4.5085 4.5085 4.5116 4.5116 6.7523 6.7523 6.7644 6.7644 8.2252 8.2252 8.2439 8.2439 9.2806 9.2806 9.2824 9.2824 12.9428 12.9428 12.9487 12.9487 13.3971 13.3971 13.4127 13.4127 14.0992 14.0992 k = 0.5000 0.2129 0.6828 ( 3662 PWs) bands (ev): -30.8856 -30.8856 -30.8856 -30.8856 -11.9648 -11.9648 -11.9584 -11.9584 -10.5900 -10.5900 -10.5654 -10.5654 -10.5200 -10.5200 -10.5042 -10.5042 0.8240 0.8240 0.8313 0.8313 4.5706 4.5706 4.5737 4.5737 6.7424 6.7424 6.7551 6.7551 8.2539 8.2539 8.2725 8.2725 9.3201 9.3201 9.3229 9.3229 12.9889 12.9889 12.9979 12.9979 13.3097 13.3097 13.3209 13.3209 14.0559 14.0559 k = 0.5000 0.2129 0.6600 ( 3658 PWs) bands (ev): -30.8859 -30.8859 -30.8859 -30.8859 -11.9633 -11.9633 -11.9569 -11.9569 -10.5877 -10.5877 -10.5621 -10.5621 -10.5196 -10.5196 -10.5029 -10.5029 0.7830 0.7830 0.7902 0.7902 4.6338 4.6338 4.6367 4.6367 6.7335 6.7335 6.7469 6.7469 8.2834 8.2834 8.3021 8.3021 9.3615 9.3615 9.3652 9.3652 12.9744 12.9744 12.9890 12.9890 13.2830 13.2830 13.2873 13.2873 14.0105 14.0105 k = 0.5000 0.2129 0.6373 ( 3662 PWs) bands (ev): -30.8862 -30.8862 -30.8862 -30.8862 -11.9618 -11.9618 -11.9553 -11.9553 -10.5854 -10.5854 -10.5589 -10.5589 -10.5193 -10.5193 -10.5016 -10.5016 0.7418 0.7418 0.7489 0.7489 4.6977 4.6977 4.7005 4.7005 6.7261 6.7261 6.7401 6.7401 8.3135 8.3135 8.3324 8.3324 9.4050 9.4050 9.4092 9.4092 12.8916 12.8916 12.9088 12.9088 13.3237 13.3237 13.3241 13.3241 13.9647 13.9647 k = 0.5000 0.2129 0.6145 ( 3662 PWs) bands (ev): -30.8865 -30.8865 -30.8865 -30.8865 -11.9603 -11.9603 -11.9538 -11.9538 -10.5831 -10.5831 -10.5557 -10.5557 -10.5189 -10.5189 -10.5003 -10.5003 0.7005 0.7005 0.7076 0.7076 4.7620 4.7620 4.7647 4.7647 6.7205 6.7205 6.7351 6.7351 8.3439 8.3439 8.3631 8.3631 9.4505 9.4505 9.4551 9.4551 12.7787 12.7787 12.7962 12.7962 13.3905 13.3905 13.3918 13.3918 13.9209 13.9209 k = 0.5000 0.2129 0.5918 ( 3654 PWs) bands (ev): -30.8868 -30.8868 -30.8868 -30.8868 -11.9587 -11.9587 -11.9523 -11.9523 -10.5807 -10.5807 -10.5525 -10.5525 -10.5184 -10.5184 -10.4990 -10.4990 0.6592 0.6592 0.6662 0.6662 4.8263 4.8263 4.8288 4.8288 6.7172 6.7172 6.7324 6.7324 8.3745 8.3745 8.3941 8.3941 9.4980 9.4980 9.5028 9.5028 12.6555 12.6555 12.6729 12.6729 13.4616 13.4616 13.4647 13.4647 13.8820 13.8820 k = 0.5000 0.2129 0.5690 ( 3654 PWs) bands (ev): -30.8871 -30.8871 -30.8871 -30.8871 -11.9571 -11.9571 -11.9507 -11.9507 -10.5784 -10.5784 -10.5493 -10.5493 -10.5179 -10.5179 -10.4976 -10.4976 0.6182 0.6182 0.6251 0.6251 4.8901 4.8901 4.8925 4.8925 6.7166 6.7166 6.7323 6.7323 8.4050 8.4050 8.4251 8.4251 9.5474 9.5474 9.5522 9.5522 12.5289 12.5289 12.5461 12.5461 13.5245 13.5245 13.5304 13.5304 13.8531 13.8531 k = 0.5000 0.2129 0.5462 ( 3654 PWs) bands (ev): -30.8874 -30.8874 -30.8874 -30.8874 -11.9556 -11.9556 -11.9492 -11.9492 -10.5760 -10.5760 -10.5462 -10.5462 -10.5173 -10.5173 -10.4962 -10.4962 0.5776 0.5776 0.5843 0.5843 4.9529 4.9529 4.9552 4.9552 6.7192 6.7192 6.7353 6.7353 8.4353 8.4353 8.4559 8.4559 9.5985 9.5985 9.6030 9.6030 12.4018 12.4018 12.4189 12.4189 13.5670 13.5670 13.5778 13.5778 13.8426 13.8426 k = 0.5000 0.2129 0.5235 ( 3654 PWs) bands (ev): -30.8877 -30.8877 -30.8877 -30.8877 -11.9540 -11.9540 -11.9478 -11.9478 -10.5736 -10.5736 -10.5432 -10.5432 -10.5167 -10.5167 -10.4948 -10.4948 0.5374 0.5374 0.5440 0.5440 5.0143 5.0143 5.0164 5.0164 6.7253 6.7253 6.7419 6.7419 8.4653 8.4653 8.4863 8.4863 9.6509 9.6509 9.6551 9.6551 12.2759 12.2759 12.2930 12.2930 13.5802 13.5802 13.5971 13.5971 13.8565 13.8565 k = 0.5000 0.2129 0.5007 ( 3650 PWs) bands (ev): -30.8880 -30.8880 -30.8880 -30.8880 -11.9524 -11.9524 -11.9463 -11.9463 -10.5713 -10.5713 -10.5404 -10.5404 -10.5159 -10.5159 -10.4934 -10.4934 0.4980 0.4980 0.5043 0.5043 5.0737 5.0737 5.0757 5.0757 6.7356 6.7356 6.7524 6.7524 8.4947 8.4947 8.5162 8.5162 9.7040 9.7040 9.7077 9.7077 12.1527 12.1527 12.1699 12.1699 13.5683 13.5683 13.5900 13.5900 13.8881 13.8881 k = 0.5000 0.2129 0.4780 ( 3648 PWs) bands (ev): -30.8883 -30.8883 -30.8883 -30.8883 -11.9509 -11.9509 -11.9449 -11.9449 -10.5690 -10.5690 -10.5378 -10.5378 -10.5149 -10.5149 -10.4920 -10.4920 0.4592 0.4592 0.4654 0.4654 5.1307 5.1307 5.1326 5.1326 6.7504 6.7504 6.7674 6.7674 8.5235 8.5235 8.5453 8.5453 9.7571 9.7571 9.7601 9.7601 12.0336 12.0336 12.0512 12.0512 13.5429 13.5429 13.5674 13.5674 13.9242 13.9242 k = 0.5000 0.2129 0.4552 ( 3644 PWs) bands (ev): -30.8886 -30.8886 -30.8886 -30.8886 -11.9494 -11.9494 -11.9435 -11.9435 -10.5667 -10.5667 -10.5354 -10.5354 -10.5138 -10.5138 -10.4906 -10.4906 0.4214 0.4214 0.4274 0.4274 5.1847 5.1847 5.1866 5.1866 6.7700 6.7700 6.7872 6.7872 8.5516 8.5516 8.5736 8.5736 9.8089 9.8089 9.8112 9.8112 11.9203 11.9203 11.9383 11.9383 13.5120 13.5120 13.5380 13.5380 13.9562 13.9564 k = 0.5000 0.2129 0.4324 ( 3646 PWs) bands (ev): -30.8889 -30.8889 -30.8889 -30.8889 -11.9478 -11.9478 -11.9421 -11.9421 -10.5644 -10.5644 -10.5333 -10.5333 -10.5125 -10.5125 -10.4892 -10.4892 0.3846 0.3846 0.3903 0.3903 5.2353 5.2353 5.2372 5.2372 6.7949 6.7949 6.8121 6.8121 8.5788 8.5788 8.6010 8.6010 9.8580 9.8580 9.8595 9.8595 11.8147 11.8147 11.8332 11.8332 13.4791 13.4791 13.5061 13.5061 13.9814 13.9816 k = 0.5000 0.2129 0.4097 ( 3650 PWs) bands (ev): -30.8891 -30.8891 -30.8891 -30.8891 -11.9464 -11.9464 -11.9408 -11.9408 -10.5621 -10.5621 -10.5315 -10.5315 -10.5109 -10.5109 -10.4879 -10.4879 0.3490 0.3490 0.3544 0.3544 5.2823 5.2823 5.2841 5.2841 6.8253 6.8253 6.8423 6.8423 8.6051 8.6051 8.6273 8.6273 9.9025 9.9025 9.9030 9.9030 11.7190 11.7190 11.7382 11.7382 13.4461 13.4461 13.4737 13.4737 13.9971 13.9971 k = 0.5000 0.2129 0.3869 ( 3642 PWs) bands (ev): -30.8894 -30.8894 -30.8894 -30.8894 -11.9449 -11.9449 -11.9395 -11.9395 -10.5599 -10.5599 -10.5300 -10.5300 -10.5092 -10.5092 -10.4866 -10.4866 0.3146 0.3146 0.3198 0.3198 5.3252 5.3252 5.3271 5.3271 6.8612 6.8612 6.8779 6.8779 8.6305 8.6305 8.6525 8.6525 9.9394 9.9394 9.9397 9.9397 11.6360 11.6360 11.6559 11.6559 13.4139 13.4139 13.4417 13.4417 14.0052 14.0052 k = 0.5000 0.2129 0.3642 ( 3638 PWs) bands (ev): -30.8896 -30.8896 -30.8896 -30.8896 -11.9435 -11.9435 -11.9383 -11.9383 -10.5578 -10.5578 -10.5288 -10.5288 -10.5072 -10.5072 -10.4853 -10.4853 0.2816 0.2816 0.2865 0.2865 5.3640 5.3640 5.3660 5.3660 6.9026 6.9026 6.9190 6.9190 8.6548 8.6548 8.6765 8.6765 9.9658 9.9658 9.9669 9.9669 11.5688 11.5688 11.5893 11.5893 13.3828 13.3828 13.4107 13.4107 14.0070 14.0070 k = 0.5000 0.2129 0.3414 ( 3634 PWs) bands (ev): -30.8899 -30.8899 -30.8899 -30.8899 -11.9421 -11.9421 -11.9372 -11.9372 -10.5557 -10.5557 -10.5280 -10.5280 -10.5050 -10.5050 -10.4841 -10.4841 0.2500 0.2500 0.2547 0.2547 5.3987 5.3987 5.4007 5.4007 6.9493 6.9493 6.9652 6.9652 8.6782 8.6782 8.6994 8.6994 9.9794 9.9794 9.9811 9.9811 11.5205 11.5205 11.5414 11.5414 13.3531 13.3531 13.3810 13.3810 14.0032 14.0032 k = 0.5000 0.2129 0.3186 ( 3626 PWs) bands (ev): -30.8901 -30.8901 -30.8901 -30.8901 -11.9408 -11.9408 -11.9361 -11.9361 -10.5536 -10.5536 -10.5273 -10.5273 -10.5028 -10.5028 -10.4829 -10.4829 0.2200 0.2200 0.2244 0.2244 5.4293 5.4293 5.4314 5.4314 7.0010 7.0010 7.0164 7.0164 8.7006 8.7006 8.7211 8.7211 9.9778 9.9778 9.9798 9.9798 11.4936 11.4936 11.5148 11.5148 13.3249 13.3249 13.3526 13.3526 13.9945 13.9945 k = 0.5000 0.2129 0.2959 ( 3634 PWs) bands (ev): -30.8903 -30.8903 -30.8903 -30.8903 -11.9395 -11.9395 -11.9351 -11.9351 -10.5516 -10.5516 -10.5269 -10.5269 -10.5005 -10.5005 -10.4818 -10.4818 0.1917 0.1917 0.1958 0.1958 5.4560 5.4560 5.4582 5.4582 7.0573 7.0573 7.0719 7.0719 8.7221 8.7221 8.7417 8.7417 9.9597 9.9597 9.9616 9.9616 11.4896 11.4896 11.5108 11.5108 13.2983 13.2983 13.3255 13.3255 13.9806 13.9813 k = 0.5000 0.2129 0.2731 ( 3626 PWs) bands (ev): -30.8905 -30.8905 -30.8905 -30.8905 -11.9383 -11.9383 -11.9342 -11.9342 -10.5497 -10.5497 -10.5267 -10.5267 -10.4982 -10.4982 -10.4808 -10.4808 0.1651 0.1651 0.1690 0.1690 5.4790 5.4790 5.4813 5.4813 7.1173 7.1173 7.1312 7.1312 8.7427 8.7427 8.7612 8.7612 9.9255 9.9255 9.9270 9.9270 11.5082 11.5082 11.5291 11.5291 13.2732 13.2732 13.2999 13.2999 13.9623 13.9636 k = 0.5000 0.2129 0.2504 ( 3626 PWs) bands (ev): -30.8907 -30.8907 -30.8907 -30.8907 -11.9371 -11.9371 -11.9333 -11.9333 -10.5478 -10.5478 -10.5266 -10.5266 -10.4959 -10.4959 -10.4799 -10.4799 0.1404 0.1404 0.1439 0.1439 5.4988 5.4988 5.5010 5.5010 7.1805 7.1805 7.1936 7.1936 8.7625 8.7625 8.7798 8.7798 9.8769 9.8769 9.8778 9.8778 11.5476 11.5476 11.5680 11.5680 13.2497 13.2497 13.2757 13.2757 13.9382 13.9391 k = 0.5000 0.2129 0.2276 ( 3626 PWs) bands (ev): -30.8909 -30.8909 -30.8909 -30.8909 -11.9360 -11.9360 -11.9325 -11.9325 -10.5460 -10.5460 -10.5266 -10.5266 -10.4937 -10.4937 -10.4791 -10.4791 0.1176 0.1176 0.1208 0.1208 5.5155 5.5155 5.5178 5.5178 7.2460 7.2460 7.2581 7.2581 8.7816 8.7816 8.7974 8.7974 9.8167 9.8167 9.8169 9.8169 11.6049 11.6049 11.6247 11.6247 13.2275 13.2275 13.2528 13.2528 13.9094 13.9094 k = 0.5000 0.2129 0.2048 ( 3608 PWs) bands (ev): -30.8910 -30.8910 -30.8910 -30.8910 -11.9350 -11.9350 -11.9318 -11.9318 -10.5443 -10.5443 -10.5267 -10.5267 -10.4916 -10.4916 -10.4784 -10.4784 0.0967 0.0967 0.0996 0.0996 5.5297 5.5297 5.5318 5.5318 7.3127 7.3127 7.3239 7.3239 8.8001 8.8001 8.8144 8.8144 9.7474 9.7474 9.7480 9.7480 11.6769 11.6769 11.6960 11.6960 13.2066 13.2066 13.2310 13.2310 13.8748 13.8749 k = 0.5000 0.2129 0.1821 ( 3604 PWs) bands (ev): -30.8912 -30.8912 -30.8912 -30.8912 -11.9341 -11.9341 -11.9312 -11.9312 -10.5427 -10.5427 -10.5270 -10.5270 -10.4896 -10.4896 -10.4778 -10.4778 0.0779 0.0779 0.0805 0.0805 5.5414 5.5414 5.5435 5.5435 7.3795 7.3795 7.3897 7.3897 8.8183 8.8183 8.8309 8.8309 9.6724 9.6724 9.6738 9.6738 11.7604 11.7604 11.7789 11.7789 13.1867 13.1867 13.2103 13.2103 13.8336 13.8337 k = 0.5000 0.2129 0.1593 ( 3596 PWs) bands (ev): -30.8913 -30.8913 -30.8913 -30.8913 -11.9332 -11.9332 -11.9307 -11.9307 -10.5411 -10.5411 -10.5273 -10.5273 -10.4877 -10.4877 -10.4774 -10.4774 0.0612 0.0612 0.0635 0.0635 5.5511 5.5511 5.5531 5.5531 7.4451 7.4451 7.4543 7.4543 8.8364 8.8364 8.8471 8.8471 9.5948 9.5948 9.5969 9.5969 11.8524 11.8524 11.8702 11.8702 13.1676 13.1676 13.1901 13.1901 13.7854 13.7855 k = 0.5000 0.2129 0.1366 ( 3596 PWs) bands (ev): -30.8914 -30.8914 -30.8914 -30.8914 -11.9324 -11.9324 -11.9302 -11.9302 -10.5396 -10.5396 -10.5278 -10.5278 -10.4859 -10.4859 -10.4771 -10.4771 0.0466 0.0466 0.0486 0.0486 5.5591 5.5591 5.5608 5.5608 7.5081 7.5081 7.5161 7.5161 8.8546 8.8546 8.8634 8.8634 9.5172 9.5172 9.5199 9.5199 11.9499 11.9499 11.9670 11.9670 13.1487 13.1487 13.1702 13.1702 13.7304 13.7305 k = 0.5000 0.2129 0.1138 ( 3588 PWs) bands (ev): -30.8915 -30.8915 -30.8915 -30.8915 -11.9317 -11.9317 -11.9299 -11.9299 -10.5381 -10.5381 -10.5283 -10.5283 -10.4843 -10.4843 -10.4769 -10.4769 0.0342 0.0342 0.0359 0.0359 5.5654 5.5654 5.5670 5.5670 7.5667 7.5667 7.5735 7.5735 8.8732 8.8732 8.8801 8.8801 9.4420 9.4420 9.4451 9.4451 12.0498 12.0498 12.0662 12.0662 13.1294 13.1294 13.1497 13.1497 13.6701 13.6702 k = 0.5000 0.2129 0.0910 ( 3594 PWs) bands (ev): -30.8916 -30.8916 -30.8916 -30.8916 -11.9311 -11.9311 -11.9297 -11.9297 -10.5368 -10.5368 -10.5289 -10.5289 -10.4828 -10.4828 -10.4769 -10.4769 0.0241 0.0241 0.0254 0.0254 5.5704 5.5704 5.5717 5.5717 7.6190 7.6190 7.6246 7.6246 8.8924 8.8924 8.8974 8.8974 9.3717 9.3717 9.3750 9.3750 12.1485 12.1485 12.1638 12.1638 13.1089 13.1089 13.1278 13.1278 13.6081 13.6081 k = 0.5000 0.2129 0.0683 ( 3590 PWs) bands (ev): -30.8916 -30.8916 -30.8916 -30.8916 -11.9306 -11.9306 -11.9295 -11.9295 -10.5355 -10.5355 -10.5296 -10.5296 -10.4815 -10.4815 -10.4771 -10.4771 0.0162 0.0162 0.0172 0.0172 5.5742 5.5742 5.5752 5.5752 7.6630 7.6630 7.6673 7.6673 8.9118 8.9118 8.9151 8.9151 9.3093 9.3093 9.3124 9.3124 12.2410 12.2410 12.2546 12.2546 13.0871 13.0871 13.1039 13.1039 13.5498 13.5498 k = 0.5000 0.2129 0.0455 ( 3566 PWs) bands (ev): -30.8917 -30.8917 -30.8917 -30.8917 -11.9302 -11.9302 -11.9294 -11.9294 -10.5343 -10.5343 -10.5304 -10.5304 -10.4803 -10.4803 -10.4774 -10.4774 0.0106 0.0106 0.0113 0.0113 5.5769 5.5769 5.5775 5.5775 7.6966 7.6966 7.6995 7.6995 8.9302 8.9302 8.9319 8.9319 9.2584 9.2584 9.2610 9.2610 12.3205 12.3205 12.3312 12.3312 13.0654 13.0654 13.0786 13.0786 13.5019 13.5019 k = 0.5000 0.2129 0.0228 ( 3570 PWs) bands (ev): -30.8917 -30.8917 -30.8917 -30.8917 -11.9299 -11.9299 -11.9295 -11.9295 -10.5332 -10.5332 -10.5312 -10.5312 -10.4793 -10.4793 -10.4779 -10.4779 0.0073 0.0073 0.0076 0.0076 5.5785 5.5785 5.5789 5.5789 7.7179 7.7179 7.7193 7.7193 8.9445 8.9445 8.9452 8.9452 9.2241 9.2241 9.2256 9.2256 12.3771 12.3771 12.3832 12.3832 13.0488 13.0488 13.0564 13.0564 13.4707 13.4707 k = 0.5000 0.2129 0.0000 ( 3562 PWs) bands (ev): -30.8917 -30.8917 -30.8917 -30.8917 -11.9296 -11.9296 -11.9296 -11.9296 -10.5322 -10.5322 -10.5322 -10.5322 -10.4785 -10.4785 -10.4785 -10.4785 0.0063 0.0063 0.0063 0.0063 5.5792 5.5792 5.5792 5.5792 7.7256 7.7256 7.7256 7.7256 8.9503 8.9503 8.9503 8.9503 9.2122 9.2122 9.2122 9.2122 12.3999 12.3999 12.3999 12.3999 13.0448 13.0448 13.0448 13.0448 13.4601 13.4601 k = 0.0000 0.0000 1.2764 ( 3668 PWs) bands (ev): -30.8807 -30.8807 -30.8807 -30.8807 -11.9841 -11.9841 -11.9841 -11.9841 -10.6188 -10.6188 -10.6188 -10.6188 -10.5218 -10.5218 -10.5218 -10.5218 1.4301 1.4301 1.4301 1.4301 3.7424 3.7424 3.7424 3.7424 6.8558 6.8558 6.8558 6.8558 8.0089 8.0089 8.0089 8.0089 8.6502 8.6502 8.6502 8.6502 12.4648 12.4648 12.4648 12.4648 14.1667 14.1667 14.1667 14.1667 15.0751 15.0751 k = 0.0208 0.0089 1.2764 ( 3666 PWs) bands (ev): -30.8807 -30.8807 -30.8807 -30.8807 -11.9842 -11.9842 -11.9841 -11.9841 -10.6203 -10.6203 -10.6173 -10.6173 -10.5233 -10.5233 -10.5204 -10.5204 1.4296 1.4296 1.4306 1.4306 3.7409 3.7409 3.7440 3.7440 6.8536 6.8536 6.8583 6.8583 8.0048 8.0048 8.0100 8.0100 8.6499 8.6499 8.6544 8.6544 12.4575 12.4575 12.4630 12.4630 14.1742 14.1742 14.1774 14.1774 15.0752 15.0755 k = 0.0417 0.0177 1.2764 ( 3668 PWs) bands (ev): -30.8807 -30.8807 -30.8807 -30.8807 -11.9843 -11.9843 -11.9840 -11.9840 -10.6217 -10.6217 -10.6157 -10.6157 -10.5247 -10.5247 -10.5191 -10.5191 1.4291 1.4291 1.4311 1.4311 3.7394 3.7394 3.7455 3.7455 6.8518 6.8518 6.8612 6.8612 7.9979 7.9979 8.0081 8.0081 8.6532 8.6532 8.6622 8.6622 12.4417 12.4417 12.4525 12.4525 14.1994 14.1994 14.2057 14.2057 15.0758 15.0763 k = 0.0625 0.0266 1.2764 ( 3668 PWs) bands (ev): -30.8807 -30.8807 -30.8807 -30.8807 -11.9843 -11.9843 -11.9839 -11.9839 -10.6230 -10.6230 -10.6142 -10.6142 -10.5262 -10.5262 -10.5178 -10.5178 1.4287 1.4287 1.4315 1.4315 3.7379 3.7379 3.7469 3.7469 6.8504 6.8504 6.8643 6.8643 7.9887 7.9887 8.0035 8.0035 8.6599 8.6599 8.6730 8.6730 12.4190 12.4190 12.4346 12.4346 14.2410 14.2410 14.2499 14.2499 15.0764 15.0773 k = 0.0833 0.0355 1.2764 ( 3662 PWs) bands (ev): -30.8807 -30.8807 -30.8807 -30.8807 -11.9844 -11.9844 -11.9839 -11.9839 -10.6242 -10.6242 -10.6127 -10.6127 -10.5277 -10.5277 -10.5166 -10.5166 1.4283 1.4283 1.4320 1.4320 3.7366 3.7366 3.7483 3.7483 6.8493 6.8493 6.8675 6.8675 7.9779 7.9779 7.9969 7.9969 8.6692 8.6692 8.6860 8.6860 12.3912 12.3912 12.4111 12.4111 14.2968 14.2968 14.3078 14.3078 15.0781 15.0788 k = 0.1042 0.0443 1.2764 ( 3664 PWs) bands (ev): -30.8807 -30.8807 -30.8807 -30.8807 -11.9845 -11.9845 -11.9838 -11.9838 -10.6253 -10.6253 -10.6112 -10.6112 -10.5291 -10.5291 -10.5156 -10.5156 1.4279 1.4279 1.4324 1.4324 3.7353 3.7353 3.7496 3.7496 6.8486 6.8486 6.8708 6.8708 7.9661 7.9661 7.9888 7.9888 8.6804 8.6804 8.7003 8.7003 12.3607 12.3607 12.3843 12.3843 14.3638 14.3638 14.3764 14.3764 15.0803 15.0806 k = 0.1250 0.0532 1.2764 ( 3656 PWs) bands (ev): -30.8807 -30.8807 -30.8807 -30.8807 -11.9845 -11.9845 -11.9838 -11.9838 -10.6263 -10.6263 -10.6099 -10.6099 -10.5304 -10.5304 -10.5146 -10.5146 1.4275 1.4275 1.4328 1.4328 3.7341 3.7341 3.7507 3.7507 6.8482 6.8482 6.8741 6.8741 7.9543 7.9543 7.9801 7.9801 8.6924 8.6924 8.7150 8.7150 12.3295 12.3295 12.3562 12.3562 14.4391 14.4391 14.4526 14.4526 15.0839 15.0844 k = 0.1458 0.0621 1.2764 ( 3668 PWs) bands (ev): -30.8807 -30.8807 -30.8807 -30.8807 -11.9846 -11.9846 -11.9837 -11.9837 -10.6272 -10.6272 -10.6087 -10.6087 -10.5316 -10.5316 -10.5138 -10.5138 1.4272 1.4272 1.4331 1.4331 3.7331 3.7331 3.7517 3.7517 6.8479 6.8479 6.8771 6.8771 7.9429 7.9429 7.9715 7.9715 8.7043 8.7043 8.7292 8.7292 12.2996 12.2996 12.3290 12.3290 14.5190 14.5190 14.5329 14.5329 15.0895 15.0896 k = 0.1667 0.0710 1.2764 ( 3670 PWs) bands (ev): -30.8807 -30.8807 -30.8807 -30.8807 -11.9846 -11.9846 -11.9837 -11.9837 -10.6279 -10.6279 -10.6076 -10.6076 -10.5326 -10.5326 -10.5132 -10.5132 1.4269 1.4269 1.4334 1.4334 3.7322 3.7322 3.7526 3.7526 6.8479 6.8479 6.8798 6.8798 7.9327 7.9327 7.9635 7.9635 8.7154 8.7154 8.7420 8.7420 12.2729 12.2729 12.3044 12.3044 14.5993 14.5993 14.6127 14.6127 15.0981 15.0981 k = 0.1875 0.0798 1.2764 ( 3686 PWs) bands (ev): -30.8807 -30.8807 -30.8807 -30.8807 -11.9847 -11.9847 -11.9837 -11.9837 -10.6285 -10.6285 -10.6067 -10.6067 -10.5334 -10.5334 -10.5126 -10.5126 1.4267 1.4267 1.4336 1.4336 3.7316 3.7316 3.7533 3.7533 6.8479 6.8479 6.8821 6.8821 7.9243 7.9243 7.9567 7.9567 8.7248 8.7248 8.7528 8.7528 12.2506 12.2506 12.2837 12.2837 14.6742 14.6742 14.6864 14.6864 15.1114 15.1114 k = 0.2083 0.0887 1.2764 ( 3690 PWs) bands (ev): -30.8807 -30.8807 -30.8807 -30.8807 -11.9847 -11.9847 -11.9836 -11.9836 -10.6289 -10.6289 -10.6061 -10.6061 -10.5341 -10.5341 -10.5123 -10.5123 1.4265 1.4265 1.4337 1.4337 3.7311 3.7311 3.7537 3.7537 6.8480 6.8480 6.8838 6.8838 7.9179 7.9179 7.9516 7.9516 8.7320 8.7320 8.7609 8.7609 12.2340 12.2340 12.2682 12.2682 14.7367 14.7367 14.7466 14.7466 15.1313 15.1313 k = 0.2292 0.0976 1.2764 ( 3684 PWs) bands (ev): -30.8807 -30.8807 -30.8807 -30.8807 -11.9847 -11.9847 -11.9836 -11.9836 -10.6291 -10.6291 -10.6057 -10.6057 -10.5345 -10.5345 -10.5120 -10.5120 1.4264 1.4264 1.4338 1.4338 3.7308 3.7308 3.7540 3.7540 6.8480 6.8480 6.8849 6.8849 7.9139 7.9139 7.9483 7.9483 8.7364 8.7364 8.7660 8.7660 12.2237 12.2237 12.2586 12.2586 14.7784 14.7784 14.7861 14.7861 15.1557 15.1557 k = 0.2500 0.1064 1.2764 ( 3684 PWs) bands (ev): -30.8807 -30.8807 -30.8807 -30.8807 -11.9847 -11.9847 -11.9836 -11.9836 -10.6292 -10.6292 -10.6055 -10.6055 -10.5346 -10.5346 -10.5120 -10.5120 1.4264 1.4264 1.4339 1.4339 3.7307 3.7307 3.7541 3.7541 6.8481 6.8481 6.8853 6.8853 7.9126 7.9126 7.9472 7.9472 8.7379 8.7379 8.7677 8.7677 12.2202 12.2202 12.2553 12.2553 14.7931 14.7931 14.7998 14.7998 15.1699 15.1699 Writing output data file YSi2.save init_run : 0.30s CPU 0.43s WALL ( 1 calls) electrons : 279.20s CPU 283.81s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.09s WALL ( 1 calls) Called by electrons: c_bands : 279.19s CPU 283.80s WALL ( 1 calls) v_of_rho : 0.00s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.00s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.10s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.06s WALL ( 338 calls) cegterg : 249.75s CPU 252.29s WALL ( 711 calls) Called by sum_band: Called by *egterg: h_psi : 176.63s CPU 178.84s WALL ( 12551 calls) s_psi : 8.63s CPU 8.76s WALL ( 12551 calls) g_psi : 0.18s CPU 0.23s WALL ( 11502 calls) cdiaghg : 72.49s CPU 73.23s WALL ( 11840 calls) cegterg:over : 5.66s CPU 5.66s WALL ( 11502 calls) cegterg:upda : 5.56s CPU 5.65s WALL ( 11502 calls) cegterg:last : 2.31s CPU 2.25s WALL ( 1515 calls) cdiaghg:chol : 4.08s CPU 4.11s WALL ( 11840 calls) cdiaghg:inve : 2.54s CPU 2.69s WALL ( 11840 calls) cdiaghg:para : 4.39s CPU 4.17s WALL ( 23680 calls) Called by h_psi: h_psi:vloc : 157.97s CPU 159.91s WALL ( 12551 calls) h_psi:vnl : 18.44s CPU 18.70s WALL ( 12551 calls) add_vuspsi : 10.45s CPU 10.60s WALL ( 12551 calls) General routines calbec : 7.94s CPU 8.08s WALL ( 12551 calls) fft : 0.00s CPU 0.01s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 148.42s CPU 150.37s WALL ( 888008 calls) interpolate : 0.00s CPU 0.00s WALL ( 4 calls) davcio : 0.15s CPU 0.22s WALL ( 676 calls) Parallel routines fft_scatter : 45.15s CPU 45.87s WALL ( 888031 calls) PWSCF : 4m53.63s CPU 5m33.44s WALL This run was terminated on: 21:21:34 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=