Program PWSCF v.5.3.0 (svn rev. 11974) starts on 3Jan2017 at 14:24:11 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: ./Ba2ZrS4.save/ file Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 6S 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 84 84 24 1635 1635 250 Max 85 85 25 1637 1637 252 Sum 3051 3051 883 58907 58907 9045 bravais-lattice index = 14 lattice parameter (alat) = 16.3832 a.u. unit-cell volume = 1233.4204 (a.u.)^3 number of atoms/cell = 7 number of atomic types = 3 number of electrons = 48.00 number of Kohn-Sham states= 58 kinetic-energy cutoff = 50.0000 Ry charge density cutoff = 200.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 16.383193 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.847675 celldm(5)= -0.847675 celldm(6)= 0.695350 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.695350 0.718671 0.000000 ) a(3) = ( -0.847675 -0.359335 0.390288 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.967550 1.281105 ) b(2) = ( 0.000000 1.391457 1.281105 ) b(3) = ( 0.000000 0.000000 2.562209 ) PseudoPot. # 1 for S read from file: /users/gautes/Pseudo/S.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 95f1324244b600346090892298cb4451 Pseudo is Ultrasoft + core correction, Zval = 6.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1151 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 Ba read from file: /users/gautes/Pseudo/Ba.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 3006f3397849ee49953ff32be8e81b23 Pseudo is Ultrasoft + core correction, Zval = 10.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1251 points, 11 beta functions with: l(1) = 0 l(2) = 0 l(3) = 0 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 1 l(8) = 2 l(9) = 2 l(10) = 2 l(11) = 2 Q(r) pseudized with 0 coefficients PseudoPot. # 3 for Zr read from file: /users/gautes/Pseudo/Zr.rel-pbe-n-nc.UPF MD5 check sum: 453101d5cee66cf3691e2371f73c5d7d Pseudo is Norm-conserving + core correction, Zval = 4.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1225 points, 4 beta functions with: l(1) = 1 l(2) = 1 l(3) = 2 l(4) = 2 atomic species valence mass pseudopotential S 6.00 32.06500 S( 1.00) Ba 10.00 137.32700 Ba( 1.00) Zr 4.00 91.22400 Zr( 1.00) 4 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 180 deg rotation - cart. axis [0,0,1] cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 1 1 1 ) cart. s( 2) = ( -1.0000000 -0.0000000 -0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 3 inversion cryst. s( 3) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 3) = ( -1.0000000 -0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) isym = 4 inv. 180 deg rotation - cart. axis [0,0,1] cryst. s( 4) = ( 1 0 0 ) ( 0 1 0 ) ( -1 -1 -1 ) cart. s( 4) = ( 1.0000000 0.0000000 0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) 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= 287 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0000000 0.0000000 0.0272576), wk = 0.0034843 k( 3) = ( 0.0000000 0.0000000 0.0545151), wk = 0.0034843 k( 4) = ( 0.0000000 0.0000000 0.0817726), wk = 0.0034843 k( 5) = ( 0.0000000 0.0000000 0.1090302), wk = 0.0034843 k( 6) = ( 0.0000000 0.0000000 0.1362877), wk = 0.0034843 k( 7) = ( 0.0000000 0.0000000 0.1635453), wk = 0.0034843 k( 8) = ( 0.0000000 0.0000000 0.1908028), wk = 0.0034843 k( 9) = ( 0.0000000 0.0000000 0.2180604), wk = 0.0034843 k( 10) = ( 0.0000000 0.0000000 0.2453179), wk = 0.0034843 k( 11) = ( 0.0000000 0.0000000 0.2725755), wk = 0.0034843 k( 12) = ( 0.0000000 0.0000000 0.2998330), wk = 0.0034843 k( 13) = ( 0.0000000 0.0000000 0.3270906), wk = 0.0034843 k( 14) = ( 0.0000000 0.0000000 0.3543481), wk = 0.0034843 k( 15) = ( 0.0000000 0.0000000 0.3816057), wk = 0.0034843 k( 16) = ( 0.0000000 0.0000000 0.4088632), wk = 0.0034843 k( 17) = ( 0.0000000 0.0000000 0.4361208), wk = 0.0034843 k( 18) = ( 0.0000000 0.0000000 0.4633783), wk = 0.0034843 k( 19) = ( 0.0000000 0.0000000 0.4906358), wk = 0.0034843 k( 20) = ( 0.0000000 0.0000000 0.5178934), wk = 0.0034843 k( 21) = ( 0.0000000 0.0000000 0.5451509), wk = 0.0034843 k( 22) = ( 0.0000000 0.0000000 0.5724085), wk = 0.0034843 k( 23) = ( 0.0000000 0.0000000 0.5996660), wk = 0.0034843 k( 24) = ( 0.0000000 0.0000000 0.6269236), wk = 0.0034843 k( 25) = ( 0.0000000 0.0000000 0.6541811), wk = 0.0034843 k( 26) = ( 0.0000000 0.0000000 0.6814387), wk = 0.0034843 k( 27) = ( 0.0000000 0.0000000 0.7086962), wk = 0.0034843 k( 28) = ( 0.0000000 0.0000000 0.7359538), wk = 0.0034843 k( 29) = ( 0.0000000 0.0000000 0.7632113), wk = 0.0034843 k( 30) = ( 0.0000000 0.0000000 0.7904689), wk = 0.0034843 k( 31) = ( 0.0000000 0.0000000 0.8177264), wk = 0.0034843 k( 32) = ( 0.0000000 0.0000000 0.8449839), wk = 0.0034843 k( 33) = ( 0.0000000 0.0000000 0.8722415), wk = 0.0034843 k( 34) = ( 0.0000000 0.0000000 0.8994990), wk = 0.0034843 k( 35) = ( 0.0000000 0.0000000 0.9267566), wk = 0.0034843 k( 36) = ( 0.0000000 0.0000000 0.9540142), wk = 0.0034843 k( 37) = ( 0.0000000 0.0000000 0.9812717), wk = 0.0034843 k( 38) = ( 0.0000000 0.0000000 1.0085292), wk = 0.0034843 k( 39) = ( 0.0000000 0.0000000 1.0357868), wk = 0.0034843 k( 40) = ( 0.0000000 0.0000000 1.0630443), wk = 0.0034843 k( 41) = ( 0.0000000 0.0000000 1.0903019), wk = 0.0034843 k( 42) = ( 0.0000000 0.0000000 1.1175594), wk = 0.0034843 k( 43) = ( 0.0000000 0.0000000 1.1448170), wk = 0.0034843 k( 44) = ( 0.0000000 0.0000000 1.1720745), wk = 0.0034843 k( 45) = ( 0.0000000 0.0000000 1.1993321), wk = 0.0034843 k( 46) = ( 0.0000000 0.0000000 1.2265896), wk = 0.0034843 k( 47) = ( 0.0000000 0.0000000 1.2538472), wk = 0.0034843 k( 48) = ( 0.0000000 0.0000000 1.2811047), wk = 0.0034843 k( 49) = ( 0.0000000 0.0000000 1.2811047), wk = 0.0034843 k( 50) = ( -0.0089849 0.0211954 1.2811047), wk = 0.0034843 k( 51) = ( -0.0179697 0.0423907 1.2811047), wk = 0.0034843 k( 52) = ( -0.0269546 0.0635861 1.2811047), wk = 0.0034843 k( 53) = ( -0.0359394 0.0847814 1.2811047), wk = 0.0034843 k( 54) = ( -0.0449243 0.1059768 1.2811047), wk = 0.0034843 k( 55) = ( -0.0449243 0.1059768 1.2811047), wk = 0.0034843 k( 56) = ( -0.0525089 0.1238689 1.2616714), wk = 0.0034843 k( 57) = ( -0.0600935 0.1417610 1.2422381), wk = 0.0034843 k( 58) = ( -0.0676781 0.1596531 1.2228047), wk = 0.0034843 k( 59) = ( -0.0752627 0.1775452 1.2033714), wk = 0.0034843 k( 60) = ( -0.0828473 0.1954373 1.1839381), wk = 0.0034843 k( 61) = ( -0.0904319 0.2133295 1.1645048), wk = 0.0034843 k( 62) = ( -0.0980165 0.2312216 1.1450714), wk = 0.0034843 k( 63) = ( -0.1056011 0.2491137 1.1256381), wk = 0.0034843 k( 64) = ( -0.1131856 0.2670058 1.1062048), wk = 0.0034843 k( 65) = ( -0.1207702 0.2848979 1.0867715), wk = 0.0034843 k( 66) = ( -0.1283548 0.3027900 1.0673382), wk = 0.0034843 k( 67) = ( -0.1359394 0.3206822 1.0479049), wk = 0.0034843 k( 68) = ( -0.1435240 0.3385743 1.0284715), wk = 0.0034843 k( 69) = ( -0.1511086 0.3564664 1.0090382), wk = 0.0034843 k( 70) = ( -0.1586932 0.3743585 0.9896049), wk = 0.0034843 k( 71) = ( -0.1662778 0.3922506 0.9701716), wk = 0.0034843 k( 72) = ( -0.1738624 0.4101428 0.9507382), wk = 0.0034843 k( 73) = ( -0.1814470 0.4280349 0.9313049), wk = 0.0034843 k( 74) = ( -0.1890316 0.4459270 0.9118716), wk = 0.0034843 k( 75) = ( -0.1966162 0.4638191 0.8924383), wk = 0.0034843 k( 76) = ( -0.2042008 0.4817112 0.8730050), wk = 0.0034843 k( 77) = ( -0.2117854 0.4996034 0.8535716), wk = 0.0034843 k( 78) = ( -0.2193700 0.5174955 0.8341383), wk = 0.0034843 k( 79) = ( -0.2269546 0.5353876 0.8147050), wk = 0.0034843 k( 80) = ( -0.2345392 0.5532797 0.7952717), wk = 0.0034843 k( 81) = ( -0.2421238 0.5711718 0.7758384), wk = 0.0034843 k( 82) = ( -0.2497084 0.5890639 0.7564050), wk = 0.0034843 k( 83) = ( -0.2572930 0.6069561 0.7369717), wk = 0.0034843 k( 84) = ( -0.2648776 0.6248482 0.7175384), wk = 0.0034843 k( 85) = ( -0.2724622 0.6427403 0.6981051), wk = 0.0034843 k( 86) = ( -0.2724622 0.6427403 0.6981051), wk = 0.0034843 k( 87) = ( -0.2648938 0.6248864 0.6787133), wk = 0.0034843 k( 88) = ( -0.2573254 0.6070325 0.6593215), wk = 0.0034843 k( 89) = ( -0.2497570 0.5891786 0.6399297), wk = 0.0034843 k( 90) = ( -0.2421886 0.5713247 0.6205379), wk = 0.0034843 k( 91) = ( -0.2346202 0.5534708 0.6011460), wk = 0.0034843 k( 92) = ( -0.2270518 0.5356169 0.5817542), wk = 0.0034843 k( 93) = ( -0.2194834 0.5177630 0.5623624), wk = 0.0034843 k( 94) = ( -0.2119150 0.4999091 0.5429706), wk = 0.0034843 k( 95) = ( -0.2043466 0.4820552 0.5235788), wk = 0.0034843 k( 96) = ( -0.1967782 0.4642013 0.5041870), wk = 0.0034843 k( 97) = ( -0.1892098 0.4463474 0.4847952), wk = 0.0034843 k( 98) = ( -0.1816414 0.4284935 0.4654034), wk = 0.0034843 k( 99) = ( -0.1740730 0.4106396 0.4460116), wk = 0.0034843 k( 100) = ( -0.1665047 0.3927857 0.4266198), wk = 0.0034843 k( 101) = ( -0.1589363 0.3749318 0.4072280), wk = 0.0034843 k( 102) = ( -0.1513679 0.3570779 0.3878362), wk = 0.0034843 k( 103) = ( -0.1437995 0.3392240 0.3684444), wk = 0.0034843 k( 104) = ( -0.1362311 0.3213701 0.3490525), wk = 0.0034843 k( 105) = ( -0.1286627 0.3035162 0.3296607), wk = 0.0034843 k( 106) = ( -0.1210943 0.2856624 0.3102689), wk = 0.0034843 k( 107) = ( -0.1135259 0.2678085 0.2908771), wk = 0.0034843 k( 108) = ( -0.1059575 0.2499546 0.2714853), wk = 0.0034843 k( 109) = ( -0.0983891 0.2321007 0.2520935), wk = 0.0034843 k( 110) = ( -0.0908207 0.2142468 0.2327017), wk = 0.0034843 k( 111) = ( -0.0832523 0.1963929 0.2133099), wk = 0.0034843 k( 112) = ( -0.0756839 0.1785390 0.1939181), wk = 0.0034843 k( 113) = ( -0.0681155 0.1606851 0.1745263), wk = 0.0034843 k( 114) = ( -0.0605471 0.1428312 0.1551345), wk = 0.0034843 k( 115) = ( -0.0529787 0.1249773 0.1357427), wk = 0.0034843 k( 116) = ( -0.0454104 0.1071234 0.1163509), wk = 0.0034843 k( 117) = ( -0.0378420 0.0892695 0.0969591), wk = 0.0034843 k( 118) = ( -0.0302736 0.0714156 0.0775672), wk = 0.0034843 k( 119) = ( -0.0227052 0.0535617 0.0581754), wk = 0.0034843 k( 120) = ( -0.0151368 0.0357078 0.0387836), wk = 0.0034843 k( 121) = ( -0.0075684 0.0178539 0.0193918), wk = 0.0034843 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 124) = ( 0.0250000 0.0105977 0.0000000), wk = 0.0034843 k( 125) = ( 0.0500000 0.0211954 0.0000000), wk = 0.0034843 k( 126) = ( 0.0750000 0.0317930 0.0000000), wk = 0.0034843 k( 127) = ( 0.1000000 0.0423907 0.0000000), wk = 0.0034843 k( 128) = ( 0.1250000 0.0529884 0.0000000), wk = 0.0034843 k( 129) = ( 0.1500000 0.0635861 0.0000000), wk = 0.0034843 k( 130) = ( 0.1750000 0.0741837 0.0000000), wk = 0.0034843 k( 131) = ( 0.2000000 0.0847814 0.0000000), wk = 0.0034843 k( 132) = ( 0.2250000 0.0953791 0.0000000), wk = 0.0034843 k( 133) = ( 0.2500000 0.1059768 0.0000000), wk = 0.0034843 k( 134) = ( 0.2750000 0.1165744 0.0000000), wk = 0.0034843 k( 135) = ( 0.3000000 0.1271721 0.0000000), wk = 0.0034843 k( 136) = ( 0.3250000 0.1377698 0.0000000), wk = 0.0034843 k( 137) = ( 0.3500000 0.1483675 0.0000000), wk = 0.0034843 k( 138) = ( 0.3750000 0.1589651 0.0000000), wk = 0.0034843 k( 139) = ( 0.4000000 0.1695628 0.0000000), wk = 0.0034843 k( 140) = ( 0.4250000 0.1801605 0.0000000), wk = 0.0034843 k( 141) = ( 0.4500000 0.1907582 0.0000000), wk = 0.0034843 k( 142) = ( 0.4750000 0.2013559 0.0000000), wk = 0.0034843 k( 143) = ( 0.5000000 0.2119535 0.0000000), wk = 0.0034843 k( 144) = ( 0.5000000 0.2119535 0.0000000), wk = 0.0034843 k( 145) = ( 0.4924154 0.2298457 0.0194333), wk = 0.0034843 k( 146) = ( 0.4848308 0.2477378 0.0388666), wk = 0.0034843 k( 147) = ( 0.4772462 0.2656299 0.0583000), wk = 0.0034843 k( 148) = ( 0.4696616 0.2835220 0.0777333), wk = 0.0034843 k( 149) = ( 0.4620770 0.3014141 0.0971666), wk = 0.0034843 k( 150) = ( 0.4544924 0.3193062 0.1165999), wk = 0.0034843 k( 151) = ( 0.4469078 0.3371984 0.1360333), wk = 0.0034843 k( 152) = ( 0.4393232 0.3550905 0.1554666), wk = 0.0034843 k( 153) = ( 0.4317386 0.3729826 0.1748999), wk = 0.0034843 k( 154) = ( 0.4241541 0.3908747 0.1943332), wk = 0.0034843 k( 155) = ( 0.4165695 0.4087668 0.2137665), wk = 0.0034843 k( 156) = ( 0.4089849 0.4266589 0.2331998), wk = 0.0034843 k( 157) = ( 0.4014003 0.4445511 0.2526332), wk = 0.0034843 k( 158) = ( 0.3938157 0.4624432 0.2720665), wk = 0.0034843 k( 159) = ( 0.3862311 0.4803353 0.2914998), wk = 0.0034843 k( 160) = ( 0.3786465 0.4982274 0.3109331), wk = 0.0034843 k( 161) = ( 0.3710619 0.5161195 0.3303665), wk = 0.0034843 k( 162) = ( 0.3634773 0.5340116 0.3497998), wk = 0.0034843 k( 163) = ( 0.3558927 0.5519038 0.3692331), wk = 0.0034843 k( 164) = ( 0.3483081 0.5697959 0.3886664), wk = 0.0034843 k( 165) = ( 0.3407235 0.5876880 0.4080997), wk = 0.0034843 k( 166) = ( 0.3331389 0.6055801 0.4275331), wk = 0.0034843 k( 167) = ( 0.3255543 0.6234722 0.4469664), wk = 0.0034843 k( 168) = ( 0.3179697 0.6413644 0.4663997), wk = 0.0034843 k( 169) = ( 0.3103851 0.6592565 0.4858330), wk = 0.0034843 k( 170) = ( 0.3028005 0.6771486 0.5052663), wk = 0.0034843 k( 171) = ( 0.2952159 0.6950407 0.5246997), wk = 0.0034843 k( 172) = ( 0.2876313 0.7129328 0.5441330), wk = 0.0034843 k( 173) = ( 0.2800467 0.7308250 0.5635663), wk = 0.0034843 k( 174) = ( 0.2724622 0.7487171 0.5829996), wk = 0.0034843 k( 175) = ( 0.2724622 0.7487171 0.5829996), wk = 0.0034843 k( 176) = ( 0.2476929 0.7438999 0.5882317), wk = 0.0034843 k( 177) = ( 0.2229236 0.7390828 0.5934637), wk = 0.0034843 k( 178) = ( 0.1981543 0.7342657 0.5986958), wk = 0.0034843 k( 179) = ( 0.1733850 0.7294486 0.6039279), wk = 0.0034843 k( 180) = ( 0.1486157 0.7246314 0.6091599), wk = 0.0034843 k( 181) = ( 0.1238464 0.7198143 0.6143920), wk = 0.0034843 k( 182) = ( 0.0990772 0.7149972 0.6196241), wk = 0.0034843 k( 183) = ( 0.0743079 0.7101801 0.6248562), wk = 0.0034843 k( 184) = ( 0.0495386 0.7053629 0.6300882), wk = 0.0034843 k( 185) = ( 0.0247693 0.7005458 0.6353203), wk = 0.0034843 k( 186) = ( 0.0000000 0.6957287 0.6405524), wk = 0.0034843 k( 187) = ( 0.0000000 0.6957287 0.6405524), wk = 0.0034843 k( 188) = ( 0.0075758 0.6778574 0.6599630), wk = 0.0034843 k( 189) = ( 0.0151515 0.6599861 0.6793737), wk = 0.0034843 k( 190) = ( 0.0227273 0.6421149 0.6987844), wk = 0.0034843 k( 191) = ( 0.0303030 0.6242436 0.7181951), wk = 0.0034843 k( 192) = ( 0.0378788 0.6063723 0.7376057), wk = 0.0034843 k( 193) = ( 0.0454546 0.5885010 0.7570164), wk = 0.0034843 k( 194) = ( 0.0530303 0.5706298 0.7764271), wk = 0.0034843 k( 195) = ( 0.0606061 0.5527585 0.7958378), wk = 0.0034843 k( 196) = ( 0.0681818 0.5348872 0.8152485), wk = 0.0034843 k( 197) = ( 0.0757576 0.5170160 0.8346591), wk = 0.0034843 k( 198) = ( 0.0833333 0.4991447 0.8540698), wk = 0.0034843 k( 199) = ( 0.0909091 0.4812734 0.8734805), wk = 0.0034843 k( 200) = ( 0.0984848 0.4634022 0.8928912), wk = 0.0034843 k( 201) = ( 0.1060606 0.4455309 0.9123018), wk = 0.0034843 k( 202) = ( 0.1136364 0.4276596 0.9317125), wk = 0.0034843 k( 203) = ( 0.1212121 0.4097884 0.9511232), wk = 0.0034843 k( 204) = ( 0.1287879 0.3919171 0.9705339), wk = 0.0034843 k( 205) = ( 0.1363636 0.3740458 0.9899446), wk = 0.0034843 k( 206) = ( 0.1439394 0.3561746 1.0093552), wk = 0.0034843 k( 207) = ( 0.1515151 0.3383033 1.0287659), wk = 0.0034843 k( 208) = ( 0.1590909 0.3204320 1.0481766), wk = 0.0034843 k( 209) = ( 0.1666667 0.3025607 1.0675873), wk = 0.0034843 k( 210) = ( 0.1742424 0.2846895 1.0869979), wk = 0.0034843 k( 211) = ( 0.1818182 0.2668182 1.1064086), wk = 0.0034843 k( 212) = ( 0.1893939 0.2489469 1.1258193), wk = 0.0034843 k( 213) = ( 0.1969697 0.2310756 1.1452300), wk = 0.0034843 k( 214) = ( 0.2045454 0.2132044 1.1646406), wk = 0.0034843 k( 215) = ( 0.2121212 0.1953331 1.1840513), wk = 0.0034843 k( 216) = ( 0.2196970 0.1774618 1.2034620), wk = 0.0034843 k( 217) = ( 0.2272727 0.1595906 1.2228727), wk = 0.0034843 k( 218) = ( 0.2348485 0.1417193 1.2422833), wk = 0.0034843 k( 219) = ( 0.2424242 0.1238480 1.2616940), wk = 0.0034843 k( 220) = ( 0.2500000 0.1059768 1.2811047), wk = 0.0034843 k( 221) = ( 0.2500000 0.1059768 1.2811047), wk = 0.0034843 k( 222) = ( 0.2727273 0.1156110 1.2706406), wk = 0.0034843 k( 223) = ( 0.2954545 0.1252453 1.2601764), wk = 0.0034843 k( 224) = ( 0.3181818 0.1348795 1.2497123), wk = 0.0034843 k( 225) = ( 0.3409091 0.1445138 1.2392482), wk = 0.0034843 k( 226) = ( 0.3636364 0.1541480 1.2287840), wk = 0.0034843 k( 227) = ( 0.3863636 0.1637823 1.2183199), wk = 0.0034843 k( 228) = ( 0.4090909 0.1734165 1.2078558), wk = 0.0034843 k( 229) = ( 0.4318182 0.1830508 1.1973916), wk = 0.0034843 k( 230) = ( 0.4545455 0.1926850 1.1869275), wk = 0.0034843 k( 231) = ( 0.4772727 0.2023193 1.1764634), wk = 0.0034843 k( 232) = ( 0.5000000 0.2119535 1.1659992), wk = 0.0034843 k( 233) = ( 0.5000000 0.2119535 1.1659992), wk = 0.0034843 k( 234) = ( 0.5000000 0.2119535 1.1388830), wk = 0.0034843 k( 235) = ( 0.5000000 0.2119535 1.1117667), wk = 0.0034843 k( 236) = ( 0.5000000 0.2119535 1.0846504), wk = 0.0034843 k( 237) = ( 0.5000000 0.2119535 1.0575342), wk = 0.0034843 k( 238) = ( 0.5000000 0.2119535 1.0304179), wk = 0.0034843 k( 239) = ( 0.5000000 0.2119535 1.0033017), wk = 0.0034843 k( 240) = ( 0.5000000 0.2119535 0.9761854), wk = 0.0034843 k( 241) = ( 0.5000000 0.2119535 0.9490691), wk = 0.0034843 k( 242) = ( 0.5000000 0.2119535 0.9219529), wk = 0.0034843 k( 243) = ( 0.5000000 0.2119535 0.8948366), wk = 0.0034843 k( 244) = ( 0.5000000 0.2119535 0.8677204), wk = 0.0034843 k( 245) = ( 0.5000000 0.2119535 0.8406041), wk = 0.0034843 k( 246) = ( 0.5000000 0.2119535 0.8134878), wk = 0.0034843 k( 247) = ( 0.5000000 0.2119535 0.7863716), wk = 0.0034843 k( 248) = ( 0.5000000 0.2119535 0.7592553), wk = 0.0034843 k( 249) = ( 0.5000000 0.2119535 0.7321391), wk = 0.0034843 k( 250) = ( 0.5000000 0.2119535 0.7050228), wk = 0.0034843 k( 251) = ( 0.5000000 0.2119535 0.6779065), wk = 0.0034843 k( 252) = ( 0.5000000 0.2119535 0.6507903), wk = 0.0034843 k( 253) = ( 0.5000000 0.2119535 0.6236740), wk = 0.0034843 k( 254) = ( 0.5000000 0.2119535 0.5965578), wk = 0.0034843 k( 255) = ( 0.5000000 0.2119535 0.5694415), wk = 0.0034843 k( 256) = ( 0.5000000 0.2119535 0.5423252), wk = 0.0034843 k( 257) = ( 0.5000000 0.2119535 0.5152090), wk = 0.0034843 k( 258) = ( 0.5000000 0.2119535 0.4880927), wk = 0.0034843 k( 259) = ( 0.5000000 0.2119535 0.4609764), wk = 0.0034843 k( 260) = ( 0.5000000 0.2119535 0.4338602), wk = 0.0034843 k( 261) = ( 0.5000000 0.2119535 0.4067439), wk = 0.0034843 k( 262) = ( 0.5000000 0.2119535 0.3796277), wk = 0.0034843 k( 263) = ( 0.5000000 0.2119535 0.3525114), wk = 0.0034843 k( 264) = ( 0.5000000 0.2119535 0.3253951), wk = 0.0034843 k( 265) = ( 0.5000000 0.2119535 0.2982789), wk = 0.0034843 k( 266) = ( 0.5000000 0.2119535 0.2711626), wk = 0.0034843 k( 267) = ( 0.5000000 0.2119535 0.2440463), wk = 0.0034843 k( 268) = ( 0.5000000 0.2119535 0.2169301), wk = 0.0034843 k( 269) = ( 0.5000000 0.2119535 0.1898138), wk = 0.0034843 k( 270) = ( 0.5000000 0.2119535 0.1626976), wk = 0.0034843 k( 271) = ( 0.5000000 0.2119535 0.1355813), wk = 0.0034843 k( 272) = ( 0.5000000 0.2119535 0.1084650), wk = 0.0034843 k( 273) = ( 0.5000000 0.2119535 0.0813488), wk = 0.0034843 k( 274) = ( 0.5000000 0.2119535 0.0542325), wk = 0.0034843 k( 275) = ( 0.5000000 0.2119535 0.0271163), wk = 0.0034843 k( 276) = ( 0.5000000 0.2119535 0.0000000), wk = 0.0034843 k( 277) = ( 0.0000000 0.0000000 1.2811047), wk = 0.0034843 k( 278) = ( 0.0250000 0.0105977 1.2811047), wk = 0.0034843 k( 279) = ( 0.0500000 0.0211954 1.2811047), wk = 0.0034843 k( 280) = ( 0.0750000 0.0317930 1.2811047), wk = 0.0034843 k( 281) = ( 0.1000000 0.0423907 1.2811047), wk = 0.0034843 k( 282) = ( 0.1250000 0.0529884 1.2811047), wk = 0.0034843 k( 283) = ( 0.1500000 0.0635861 1.2811047), wk = 0.0034843 k( 284) = ( 0.1750000 0.0741837 1.2811047), wk = 0.0034843 k( 285) = ( 0.2000000 0.0847814 1.2811047), wk = 0.0034843 k( 286) = ( 0.2250000 0.0953791 1.2811047), wk = 0.0034843 k( 287) = ( 0.2500000 0.1059768 1.2811047), wk = 0.0034843 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 2) = ( 0.0000000 0.0000000 0.0106383), wk = 0.0034843 k( 3) = ( 0.0000000 0.0000000 0.0212766), wk = 0.0034843 k( 4) = ( 0.0000000 0.0000000 0.0319149), wk = 0.0034843 k( 5) = ( 0.0000000 0.0000000 0.0425532), wk = 0.0034843 k( 6) = ( 0.0000000 0.0000000 0.0531915), wk = 0.0034843 k( 7) = ( 0.0000000 0.0000000 0.0638298), wk = 0.0034843 k( 8) = ( 0.0000000 0.0000000 0.0744681), wk = 0.0034843 k( 9) = ( 0.0000000 0.0000000 0.0851064), wk = 0.0034843 k( 10) = ( 0.0000000 0.0000000 0.0957447), wk = 0.0034843 k( 11) = ( 0.0000000 0.0000000 0.1063830), wk = 0.0034843 k( 12) = ( 0.0000000 0.0000000 0.1170213), wk = 0.0034843 k( 13) = ( 0.0000000 0.0000000 0.1276596), wk = 0.0034843 k( 14) = ( 0.0000000 0.0000000 0.1382979), wk = 0.0034843 k( 15) = ( 0.0000000 0.0000000 0.1489362), wk = 0.0034843 k( 16) = ( 0.0000000 0.0000000 0.1595745), wk = 0.0034843 k( 17) = ( 0.0000000 0.0000000 0.1702128), wk = 0.0034843 k( 18) = ( 0.0000000 0.0000000 0.1808511), wk = 0.0034843 k( 19) = ( 0.0000000 0.0000000 0.1914894), wk = 0.0034843 k( 20) = ( 0.0000000 0.0000000 0.2021277), wk = 0.0034843 k( 21) = ( 0.0000000 0.0000000 0.2127660), wk = 0.0034843 k( 22) = ( 0.0000000 0.0000000 0.2234043), wk = 0.0034843 k( 23) = ( 0.0000000 0.0000000 0.2340425), wk = 0.0034843 k( 24) = ( 0.0000000 0.0000000 0.2446809), wk = 0.0034843 k( 25) = ( 0.0000000 0.0000000 0.2553191), wk = 0.0034843 k( 26) = ( 0.0000000 0.0000000 0.2659574), wk = 0.0034843 k( 27) = ( 0.0000000 0.0000000 0.2765957), wk = 0.0034843 k( 28) = ( 0.0000000 0.0000000 0.2872340), wk = 0.0034843 k( 29) = ( 0.0000000 0.0000000 0.2978723), wk = 0.0034843 k( 30) = ( 0.0000000 0.0000000 0.3085106), wk = 0.0034843 k( 31) = ( 0.0000000 0.0000000 0.3191489), wk = 0.0034843 k( 32) = ( 0.0000000 0.0000000 0.3297872), wk = 0.0034843 k( 33) = ( 0.0000000 0.0000000 0.3404255), wk = 0.0034843 k( 34) = ( 0.0000000 0.0000000 0.3510638), wk = 0.0034843 k( 35) = ( 0.0000000 0.0000000 0.3617021), wk = 0.0034843 k( 36) = ( 0.0000000 0.0000000 0.3723404), wk = 0.0034843 k( 37) = ( 0.0000000 0.0000000 0.3829787), wk = 0.0034843 k( 38) = ( 0.0000000 0.0000000 0.3936170), wk = 0.0034843 k( 39) = ( 0.0000000 0.0000000 0.4042553), wk = 0.0034843 k( 40) = ( 0.0000000 0.0000000 0.4148936), wk = 0.0034843 k( 41) = ( 0.0000000 0.0000000 0.4255319), wk = 0.0034843 k( 42) = ( 0.0000000 0.0000000 0.4361702), wk = 0.0034843 k( 43) = ( 0.0000000 0.0000000 0.4468085), wk = 0.0034843 k( 44) = ( 0.0000000 0.0000000 0.4574468), wk = 0.0034843 k( 45) = ( 0.0000000 0.0000000 0.4680851), wk = 0.0034843 k( 46) = ( 0.0000000 0.0000000 0.4787234), wk = 0.0034843 k( 47) = ( 0.0000000 0.0000000 0.4893617), wk = 0.0034843 k( 48) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034843 k( 49) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034843 k( 50) = ( -0.0089849 0.0089849 0.5000000), wk = 0.0034843 k( 51) = ( -0.0179697 0.0179697 0.5000000), wk = 0.0034843 k( 52) = ( -0.0269546 0.0269546 0.5000000), wk = 0.0034843 k( 53) = ( -0.0359394 0.0359394 0.5000000), wk = 0.0034843 k( 54) = ( -0.0449243 0.0449243 0.5000000), wk = 0.0034843 k( 55) = ( -0.0449243 0.0449243 0.5000000), wk = 0.0034843 k( 56) = ( -0.0525089 0.0525089 0.4924154), wk = 0.0034843 k( 57) = ( -0.0600935 0.0600935 0.4848308), wk = 0.0034843 k( 58) = ( -0.0676781 0.0676781 0.4772462), wk = 0.0034843 k( 59) = ( -0.0752627 0.0752627 0.4696616), wk = 0.0034843 k( 60) = ( -0.0828473 0.0828473 0.4620770), wk = 0.0034843 k( 61) = ( -0.0904319 0.0904319 0.4544924), wk = 0.0034843 k( 62) = ( -0.0980165 0.0980165 0.4469078), wk = 0.0034843 k( 63) = ( -0.1056011 0.1056011 0.4393232), wk = 0.0034843 k( 64) = ( -0.1131856 0.1131857 0.4317386), wk = 0.0034843 k( 65) = ( -0.1207702 0.1207702 0.4241541), wk = 0.0034843 k( 66) = ( -0.1283548 0.1283548 0.4165695), wk = 0.0034843 k( 67) = ( -0.1359394 0.1359394 0.4089849), wk = 0.0034843 k( 68) = ( -0.1435240 0.1435240 0.4014003), wk = 0.0034843 k( 69) = ( -0.1511086 0.1511086 0.3938157), wk = 0.0034843 k( 70) = ( -0.1586932 0.1586932 0.3862311), wk = 0.0034843 k( 71) = ( -0.1662778 0.1662778 0.3786465), wk = 0.0034843 k( 72) = ( -0.1738624 0.1738624 0.3710619), wk = 0.0034843 k( 73) = ( -0.1814470 0.1814470 0.3634773), wk = 0.0034843 k( 74) = ( -0.1890316 0.1890316 0.3558927), wk = 0.0034843 k( 75) = ( -0.1966162 0.1966162 0.3483081), wk = 0.0034843 k( 76) = ( -0.2042008 0.2042008 0.3407235), wk = 0.0034843 k( 77) = ( -0.2117854 0.2117854 0.3331389), wk = 0.0034843 k( 78) = ( -0.2193700 0.2193700 0.3255543), wk = 0.0034843 k( 79) = ( -0.2269546 0.2269546 0.3179697), wk = 0.0034843 k( 80) = ( -0.2345392 0.2345392 0.3103851), wk = 0.0034843 k( 81) = ( -0.2421238 0.2421238 0.3028005), wk = 0.0034843 k( 82) = ( -0.2497084 0.2497084 0.2952159), wk = 0.0034843 k( 83) = ( -0.2572930 0.2572930 0.2876313), wk = 0.0034843 k( 84) = ( -0.2648776 0.2648776 0.2800467), wk = 0.0034843 k( 85) = ( -0.2724622 0.2724622 0.2724622), wk = 0.0034843 k( 86) = ( -0.2724622 0.2724622 0.2724622), wk = 0.0034843 k( 87) = ( -0.2648938 0.2648938 0.2648938), wk = 0.0034843 k( 88) = ( -0.2573254 0.2573254 0.2573254), wk = 0.0034843 k( 89) = ( -0.2497570 0.2497570 0.2497570), wk = 0.0034843 k( 90) = ( -0.2421886 0.2421886 0.2421886), wk = 0.0034843 k( 91) = ( -0.2346202 0.2346202 0.2346202), wk = 0.0034843 k( 92) = ( -0.2270518 0.2270518 0.2270518), wk = 0.0034843 k( 93) = ( -0.2194834 0.2194834 0.2194834), wk = 0.0034843 k( 94) = ( -0.2119150 0.2119150 0.2119150), wk = 0.0034843 k( 95) = ( -0.2043466 0.2043466 0.2043466), wk = 0.0034843 k( 96) = ( -0.1967782 0.1967782 0.1967782), wk = 0.0034843 k( 97) = ( -0.1892098 0.1892098 0.1892098), wk = 0.0034843 k( 98) = ( -0.1816414 0.1816414 0.1816414), wk = 0.0034843 k( 99) = ( -0.1740730 0.1740730 0.1740730), wk = 0.0034843 k( 100) = ( -0.1665047 0.1665047 0.1665047), wk = 0.0034843 k( 101) = ( -0.1589363 0.1589363 0.1589363), wk = 0.0034843 k( 102) = ( -0.1513679 0.1513679 0.1513679), wk = 0.0034843 k( 103) = ( -0.1437995 0.1437995 0.1437995), wk = 0.0034843 k( 104) = ( -0.1362311 0.1362311 0.1362311), wk = 0.0034843 k( 105) = ( -0.1286627 0.1286627 0.1286627), wk = 0.0034843 k( 106) = ( -0.1210943 0.1210943 0.1210943), wk = 0.0034843 k( 107) = ( -0.1135259 0.1135259 0.1135259), wk = 0.0034843 k( 108) = ( -0.1059575 0.1059575 0.1059575), wk = 0.0034843 k( 109) = ( -0.0983891 0.0983891 0.0983891), wk = 0.0034843 k( 110) = ( -0.0908207 0.0908207 0.0908207), wk = 0.0034843 k( 111) = ( -0.0832523 0.0832523 0.0832523), wk = 0.0034843 k( 112) = ( -0.0756839 0.0756839 0.0756839), wk = 0.0034843 k( 113) = ( -0.0681155 0.0681155 0.0681155), wk = 0.0034843 k( 114) = ( -0.0605471 0.0605471 0.0605471), wk = 0.0034843 k( 115) = ( -0.0529787 0.0529787 0.0529787), wk = 0.0034843 k( 116) = ( -0.0454104 0.0454104 0.0454104), wk = 0.0034843 k( 117) = ( -0.0378420 0.0378420 0.0378420), wk = 0.0034843 k( 118) = ( -0.0302736 0.0302736 0.0302736), wk = 0.0034843 k( 119) = ( -0.0227052 0.0227052 0.0227052), wk = 0.0034843 k( 120) = ( -0.0151368 0.0151368 0.0151368), wk = 0.0034843 k( 121) = ( -0.0075684 0.0075684 0.0075684), wk = 0.0034843 k( 122) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 123) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0034843 k( 124) = ( 0.0250000 0.0250000 -0.0250000), wk = 0.0034843 k( 125) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0034843 k( 126) = ( 0.0750000 0.0750000 -0.0750000), wk = 0.0034843 k( 127) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0034843 k( 128) = ( 0.1250000 0.1250000 -0.1250000), wk = 0.0034843 k( 129) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0034843 k( 130) = ( 0.1750000 0.1750000 -0.1750000), wk = 0.0034843 k( 131) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0034843 k( 132) = ( 0.2250000 0.2250000 -0.2250000), wk = 0.0034843 k( 133) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0034843 k( 134) = ( 0.2750000 0.2750000 -0.2750000), wk = 0.0034843 k( 135) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0034843 k( 136) = ( 0.3250000 0.3250000 -0.3250000), wk = 0.0034843 k( 137) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0034843 k( 138) = ( 0.3750000 0.3750000 -0.3750000), wk = 0.0034843 k( 139) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0034843 k( 140) = ( 0.4250000 0.4250000 -0.4250000), wk = 0.0034843 k( 141) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0034843 k( 142) = ( 0.4750000 0.4750000 -0.4750000), wk = 0.0034843 k( 143) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034843 k( 144) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034843 k( 145) = ( 0.4924154 0.5075846 -0.4924154), wk = 0.0034843 k( 146) = ( 0.4848308 0.5151692 -0.4848308), wk = 0.0034843 k( 147) = ( 0.4772462 0.5227538 -0.4772462), wk = 0.0034843 k( 148) = ( 0.4696616 0.5303384 -0.4696616), wk = 0.0034843 k( 149) = ( 0.4620770 0.5379230 -0.4620770), wk = 0.0034843 k( 150) = ( 0.4544924 0.5455076 -0.4544924), wk = 0.0034843 k( 151) = ( 0.4469078 0.5530922 -0.4469078), wk = 0.0034843 k( 152) = ( 0.4393232 0.5606768 -0.4393232), wk = 0.0034843 k( 153) = ( 0.4317386 0.5682614 -0.4317386), wk = 0.0034843 k( 154) = ( 0.4241541 0.5758460 -0.4241541), wk = 0.0034843 k( 155) = ( 0.4165695 0.5834305 -0.4165695), wk = 0.0034843 k( 156) = ( 0.4089849 0.5910151 -0.4089849), wk = 0.0034843 k( 157) = ( 0.4014003 0.5985997 -0.4014003), wk = 0.0034843 k( 158) = ( 0.3938157 0.6061843 -0.3938157), wk = 0.0034843 k( 159) = ( 0.3862311 0.6137689 -0.3862311), wk = 0.0034843 k( 160) = ( 0.3786465 0.6213535 -0.3786465), wk = 0.0034843 k( 161) = ( 0.3710619 0.6289381 -0.3710619), wk = 0.0034843 k( 162) = ( 0.3634773 0.6365227 -0.3634773), wk = 0.0034843 k( 163) = ( 0.3558927 0.6441073 -0.3558927), wk = 0.0034843 k( 164) = ( 0.3483081 0.6516919 -0.3483081), wk = 0.0034843 k( 165) = ( 0.3407235 0.6592765 -0.3407235), wk = 0.0034843 k( 166) = ( 0.3331389 0.6668611 -0.3331389), wk = 0.0034843 k( 167) = ( 0.3255543 0.6744457 -0.3255543), wk = 0.0034843 k( 168) = ( 0.3179697 0.6820303 -0.3179697), wk = 0.0034843 k( 169) = ( 0.3103851 0.6896149 -0.3103851), wk = 0.0034843 k( 170) = ( 0.3028005 0.6971995 -0.3028005), wk = 0.0034843 k( 171) = ( 0.2952159 0.7047841 -0.2952159), wk = 0.0034843 k( 172) = ( 0.2876313 0.7123687 -0.2876313), wk = 0.0034843 k( 173) = ( 0.2800467 0.7199533 -0.2800467), wk = 0.0034843 k( 174) = ( 0.2724622 0.7275379 -0.2724622), wk = 0.0034843 k( 175) = ( 0.2724622 0.7275379 -0.2724622), wk = 0.0034843 k( 176) = ( 0.2476929 0.7068526 -0.2476929), wk = 0.0034843 k( 177) = ( 0.2229236 0.6861673 -0.2229236), wk = 0.0034843 k( 178) = ( 0.1981543 0.6654821 -0.1981543), wk = 0.0034843 k( 179) = ( 0.1733850 0.6447968 -0.1733850), wk = 0.0034843 k( 180) = ( 0.1486157 0.6241116 -0.1486157), wk = 0.0034843 k( 181) = ( 0.1238464 0.6034263 -0.1238464), wk = 0.0034843 k( 182) = ( 0.0990772 0.5827410 -0.0990772), wk = 0.0034843 k( 183) = ( 0.0743079 0.5620558 -0.0743079), wk = 0.0034843 k( 184) = ( 0.0495386 0.5413705 -0.0495386), wk = 0.0034843 k( 185) = ( 0.0247693 0.5206853 -0.0247693), wk = 0.0034843 k( 186) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034843 k( 187) = ( 0.0000000 0.5000000 -0.0000000), wk = 0.0034843 k( 188) = ( 0.0075758 0.4924242 0.0075758), wk = 0.0034843 k( 189) = ( 0.0151515 0.4848485 0.0151515), wk = 0.0034843 k( 190) = ( 0.0227273 0.4772727 0.0227273), wk = 0.0034843 k( 191) = ( 0.0303030 0.4696970 0.0303030), wk = 0.0034843 k( 192) = ( 0.0378788 0.4621212 0.0378788), wk = 0.0034843 k( 193) = ( 0.0454546 0.4545455 0.0454546), wk = 0.0034843 k( 194) = ( 0.0530303 0.4469697 0.0530303), wk = 0.0034843 k( 195) = ( 0.0606061 0.4393939 0.0606061), wk = 0.0034843 k( 196) = ( 0.0681818 0.4318182 0.0681818), wk = 0.0034843 k( 197) = ( 0.0757576 0.4242424 0.0757576), wk = 0.0034843 k( 198) = ( 0.0833333 0.4166667 0.0833333), wk = 0.0034843 k( 199) = ( 0.0909091 0.4090909 0.0909091), wk = 0.0034843 k( 200) = ( 0.0984848 0.4015152 0.0984849), wk = 0.0034843 k( 201) = ( 0.1060606 0.3939394 0.1060606), wk = 0.0034843 k( 202) = ( 0.1136364 0.3863636 0.1136364), wk = 0.0034843 k( 203) = ( 0.1212121 0.3787879 0.1212121), wk = 0.0034843 k( 204) = ( 0.1287879 0.3712121 0.1287879), wk = 0.0034843 k( 205) = ( 0.1363636 0.3636364 0.1363636), wk = 0.0034843 k( 206) = ( 0.1439394 0.3560606 0.1439394), wk = 0.0034843 k( 207) = ( 0.1515151 0.3484849 0.1515151), wk = 0.0034843 k( 208) = ( 0.1590909 0.3409091 0.1590909), wk = 0.0034843 k( 209) = ( 0.1666667 0.3333333 0.1666667), wk = 0.0034843 k( 210) = ( 0.1742424 0.3257576 0.1742424), wk = 0.0034843 k( 211) = ( 0.1818182 0.3181818 0.1818182), wk = 0.0034843 k( 212) = ( 0.1893939 0.3106061 0.1893939), wk = 0.0034843 k( 213) = ( 0.1969697 0.3030303 0.1969697), wk = 0.0034843 k( 214) = ( 0.2045454 0.2954546 0.2045455), wk = 0.0034843 k( 215) = ( 0.2121212 0.2878788 0.2121212), wk = 0.0034843 k( 216) = ( 0.2196970 0.2803030 0.2196970), wk = 0.0034843 k( 217) = ( 0.2272727 0.2727273 0.2272727), wk = 0.0034843 k( 218) = ( 0.2348485 0.2651515 0.2348485), wk = 0.0034843 k( 219) = ( 0.2424242 0.2575758 0.2424242), wk = 0.0034843 k( 220) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034843 k( 221) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034843 k( 222) = ( 0.2727273 0.2727273 0.2231887), wk = 0.0034843 k( 223) = ( 0.2954545 0.2954546 0.1963774), wk = 0.0034843 k( 224) = ( 0.3181818 0.3181818 0.1695661), wk = 0.0034843 k( 225) = ( 0.3409091 0.3409091 0.1427548), wk = 0.0034843 k( 226) = ( 0.3636364 0.3636364 0.1159435), wk = 0.0034843 k( 227) = ( 0.3863636 0.3863636 0.0891322), wk = 0.0034843 k( 228) = ( 0.4090909 0.4090909 0.0623209), wk = 0.0034843 k( 229) = ( 0.4318182 0.4318182 0.0355096), wk = 0.0034843 k( 230) = ( 0.4545455 0.4545455 0.0086983), wk = 0.0034843 k( 231) = ( 0.4772727 0.4772727 -0.0181130), wk = 0.0034843 k( 232) = ( 0.5000000 0.5000000 -0.0449243), wk = 0.0034843 k( 233) = ( 0.5000000 0.5000000 -0.0449243), wk = 0.0034843 k( 234) = ( 0.5000000 0.5000000 -0.0555075), wk = 0.0034843 k( 235) = ( 0.5000000 0.5000000 -0.0660906), wk = 0.0034843 k( 236) = ( 0.5000000 0.5000000 -0.0766738), wk = 0.0034843 k( 237) = ( 0.5000000 0.5000000 -0.0872569), wk = 0.0034843 k( 238) = ( 0.5000000 0.5000000 -0.0978401), wk = 0.0034843 k( 239) = ( 0.5000000 0.5000000 -0.1084232), wk = 0.0034843 k( 240) = ( 0.5000000 0.5000000 -0.1190064), wk = 0.0034843 k( 241) = ( 0.5000000 0.5000000 -0.1295895), wk = 0.0034843 k( 242) = ( 0.5000000 0.5000000 -0.1401727), wk = 0.0034843 k( 243) = ( 0.5000000 0.5000000 -0.1507559), wk = 0.0034843 k( 244) = ( 0.5000000 0.5000000 -0.1613390), wk = 0.0034843 k( 245) = ( 0.5000000 0.5000000 -0.1719222), wk = 0.0034843 k( 246) = ( 0.5000000 0.5000000 -0.1825053), wk = 0.0034843 k( 247) = ( 0.5000000 0.5000000 -0.1930885), wk = 0.0034843 k( 248) = ( 0.5000000 0.5000000 -0.2036716), wk = 0.0034843 k( 249) = ( 0.5000000 0.5000000 -0.2142548), wk = 0.0034843 k( 250) = ( 0.5000000 0.5000000 -0.2248379), wk = 0.0034843 k( 251) = ( 0.5000000 0.5000000 -0.2354211), wk = 0.0034843 k( 252) = ( 0.5000000 0.5000000 -0.2460043), wk = 0.0034843 k( 253) = ( 0.5000000 0.5000000 -0.2565874), wk = 0.0034843 k( 254) = ( 0.5000000 0.5000000 -0.2671706), wk = 0.0034843 k( 255) = ( 0.5000000 0.5000000 -0.2777537), wk = 0.0034843 k( 256) = ( 0.5000000 0.5000000 -0.2883369), wk = 0.0034843 k( 257) = ( 0.5000000 0.5000000 -0.2989200), wk = 0.0034843 k( 258) = ( 0.5000000 0.5000000 -0.3095032), wk = 0.0034843 k( 259) = ( 0.5000000 0.5000000 -0.3200863), wk = 0.0034843 k( 260) = ( 0.5000000 0.5000000 -0.3306695), wk = 0.0034843 k( 261) = ( 0.5000000 0.5000000 -0.3412527), wk = 0.0034843 k( 262) = ( 0.5000000 0.5000000 -0.3518358), wk = 0.0034843 k( 263) = ( 0.5000000 0.5000000 -0.3624190), wk = 0.0034843 k( 264) = ( 0.5000000 0.5000000 -0.3730021), wk = 0.0034843 k( 265) = ( 0.5000000 0.5000000 -0.3835853), wk = 0.0034843 k( 266) = ( 0.5000000 0.5000000 -0.3941684), wk = 0.0034843 k( 267) = ( 0.5000000 0.5000000 -0.4047516), wk = 0.0034843 k( 268) = ( 0.5000000 0.5000000 -0.4153347), wk = 0.0034843 k( 269) = ( 0.5000000 0.5000000 -0.4259179), wk = 0.0034843 k( 270) = ( 0.5000000 0.5000000 -0.4365011), wk = 0.0034843 k( 271) = ( 0.5000000 0.5000000 -0.4470842), wk = 0.0034843 k( 272) = ( 0.5000000 0.5000000 -0.4576674), wk = 0.0034843 k( 273) = ( 0.5000000 0.5000000 -0.4682505), wk = 0.0034843 k( 274) = ( 0.5000000 0.5000000 -0.4788337), wk = 0.0034843 k( 275) = ( 0.5000000 0.5000000 -0.4894168), wk = 0.0034843 k( 276) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0034843 k( 277) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0034843 k( 278) = ( 0.0250000 0.0250000 0.4750000), wk = 0.0034843 k( 279) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0034843 k( 280) = ( 0.0750000 0.0750000 0.4250000), wk = 0.0034843 k( 281) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0034843 k( 282) = ( 0.1250000 0.1250000 0.3750000), wk = 0.0034843 k( 283) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0034843 k( 284) = ( 0.1750000 0.1750000 0.3250000), wk = 0.0034843 k( 285) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0034843 k( 286) = ( 0.2250000 0.2250000 0.2750000), wk = 0.0034843 k( 287) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0034843 Dense grid: 58907 G-vectors FFT dimensions: ( 75, 75, 75) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.36 Mb ( 412, 58) NL pseudopotentials 0.70 Mb ( 206, 222) Each V/rho on FFT grid 0.26 Mb ( 16875) Each G-vector array 0.01 Mb ( 1637) G-vector shells 0.01 Mb ( 751) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 1.46 Mb ( 412, 232) Each subspace H/S matrix 0.05 Mb ( 58, 58) Each matrix 0.39 Mb ( 222, 2, 58) Check: negative/imaginary core charge= -0.000001 0.000000 The potential is recalculated from file : ./Ba2ZrS4.save/charge-density.dat Starting wfc are 70 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 4.3 secs Computing kpt #: 2 total cpu time spent up to now is 6.2 secs Computing kpt #: 3 total cpu time spent up to now is 8.2 secs Computing kpt #: 4 total cpu time spent up to now is 10.1 secs Computing kpt #: 5 total cpu time spent up to now is 12.1 secs Computing kpt #: 6 total cpu time spent up to now is 14.0 secs Computing kpt #: 7 total cpu time spent up to now is 16.0 secs Computing kpt #: 8 total cpu time spent up to now is 17.9 secs Computing kpt #: 9 total cpu time spent up to now is 19.9 secs Computing kpt #: 10 total cpu time spent up to now is 21.8 secs Computing kpt #: 11 total cpu time spent up to now is 23.7 secs Computing kpt #: 12 total cpu time spent up to now is 25.7 secs Computing kpt #: 13 total cpu time spent up to now is 27.6 secs Computing kpt #: 14 total cpu time spent up to now is 29.6 secs Computing kpt #: 15 total cpu time spent up to now is 31.6 secs Computing kpt #: 16 total cpu time spent up to now is 33.4 secs Computing kpt #: 17 total cpu time spent up to now is 35.4 secs Computing kpt #: 18 total cpu time spent up to now is 37.4 secs Computing kpt #: 19 total cpu time spent up to now is 39.3 secs Computing kpt #: 20 total cpu time spent up to now is 41.8 secs Computing kpt #: 21 total cpu time spent up to now is 44.3 secs Computing kpt #: 22 total cpu time spent up to now is 46.6 secs Computing kpt #: 23 total cpu time spent up to now is 48.6 secs Computing kpt #: 24 total cpu time spent up to now is 50.6 secs Computing kpt #: 25 total cpu time spent up to now is 52.5 secs Computing kpt #: 26 total cpu time spent up to now is 54.3 secs Computing kpt #: 27 total cpu time spent up to now is 56.2 secs Computing kpt #: 28 total cpu time spent up to now is 58.1 secs Computing kpt #: 29 total cpu time spent up to now is 60.0 secs Computing kpt #: 30 total cpu time spent up to now is 62.0 secs Computing kpt #: 31 total cpu time spent up to now is 64.0 secs Computing kpt #: 32 total cpu time spent up to now is 66.0 secs Computing kpt #: 33 total cpu time spent up to now is 68.3 secs Computing kpt #: 34 total cpu time spent up to now is 70.6 secs Computing kpt #: 35 total cpu time spent up to now is 73.0 secs Computing kpt #: 36 total cpu time spent up to now is 75.5 secs Computing kpt #: 37 total cpu time spent up to now is 78.3 secs Computing kpt #: 38 total cpu time spent up to now is 81.6 secs Computing kpt #: 39 total cpu time spent up to now is 85.1 secs Computing kpt #: 40 total cpu time spent up to now is 88.4 secs Computing kpt #: 41 total cpu time spent up to now is 91.8 secs Computing kpt #: 42 total cpu time spent up to now is 94.2 secs Computing kpt #: 43 total cpu time spent up to now is 96.5 secs Computing kpt #: 44 total cpu time spent up to now is 98.5 secs Computing kpt #: 45 total cpu time spent up to now is 100.4 secs Computing kpt #: 46 total cpu time spent up to now is 102.3 secs Computing kpt #: 47 total cpu time spent up to now is 104.2 secs Computing kpt #: 48 total cpu time spent up to now is 106.1 secs Computing kpt #: 49 total cpu time spent up to now is 108.0 secs Computing kpt #: 50 total cpu time spent up to now is 109.8 secs Computing kpt #: 51 total cpu time spent up to now is 111.7 secs Computing kpt #: 52 total cpu time spent up to now is 113.6 secs Computing kpt #: 53 total cpu time spent up to now is 115.6 secs Computing kpt #: 54 total cpu time spent up to now is 117.5 secs Computing kpt #: 55 total cpu time spent up to now is 119.4 secs Computing kpt #: 56 total cpu time spent up to now is 121.3 secs Computing kpt #: 57 total cpu time spent up to now is 123.2 secs Computing kpt #: 58 total cpu time spent up to now is 125.2 secs Computing kpt #: 59 total cpu time spent up to now is 127.1 secs Computing kpt #: 60 total cpu time spent up to now is 129.0 secs Computing kpt #: 61 total cpu time spent up to now is 130.9 secs Computing kpt #: 62 total cpu time spent up to now is 132.8 secs Computing kpt #: 63 total cpu time spent up to now is 134.6 secs Computing kpt #: 64 total cpu time spent up to now is 136.5 secs Computing kpt #: 65 total cpu time spent up to now is 138.3 secs Computing kpt #: 66 total cpu time spent up to now is 140.1 secs Computing kpt #: 67 total cpu time spent up to now is 142.0 secs Computing kpt #: 68 total cpu time spent up to now is 143.9 secs Computing kpt #: 69 total cpu time spent up to now is 145.9 secs Computing kpt #: 70 total cpu time spent up to now is 147.9 secs Computing kpt #: 71 total cpu time spent up to now is 150.0 secs Computing kpt #: 72 total cpu time spent up to now is 152.4 secs Computing kpt #: 73 total cpu time spent up to now is 154.7 secs Computing kpt #: 74 total cpu time spent up to now is 157.0 secs Computing kpt #: 75 total cpu time spent up to now is 159.0 secs Computing kpt #: 76 total cpu time spent up to now is 161.0 secs Computing kpt #: 77 total cpu time spent up to now is 162.9 secs Computing kpt #: 78 total cpu time spent up to now is 164.7 secs Computing kpt #: 79 total cpu time spent up to now is 166.6 secs Computing kpt #: 80 total cpu time spent up to now is 168.4 secs Computing kpt #: 81 total cpu time spent up to now is 170.2 secs Computing kpt #: 82 total cpu time spent up to now is 172.0 secs Computing kpt #: 83 total cpu time spent up to now is 173.8 secs Computing kpt #: 84 total cpu time spent up to now is 175.3 secs Computing kpt #: 85 total cpu time spent up to now is 177.4 secs Computing kpt #: 86 total cpu time spent up to now is 179.5 secs Computing kpt #: 87 total cpu time spent up to now is 181.3 secs Computing kpt #: 88 total cpu time spent up to now is 182.8 secs Computing kpt #: 89 total cpu time spent up to now is 184.4 secs Computing kpt #: 90 total cpu time spent up to now is 186.2 secs Computing kpt #: 91 total cpu time spent up to now is 188.0 secs Computing kpt #: 92 total cpu time spent up to now is 189.7 secs Computing kpt #: 93 total cpu time spent up to now is 191.3 secs Computing kpt #: 94 total cpu time spent up to now is 192.8 secs Computing kpt #: 95 total cpu time spent up to now is 194.6 secs Computing kpt #: 96 total cpu time spent up to now is 196.5 secs Computing kpt #: 97 total cpu time spent up to now is 198.4 secs Computing kpt #: 98 total cpu time spent up to now is 200.3 secs Computing kpt #: 99 total cpu time spent up to now is 202.2 secs Computing kpt #: 100 total cpu time spent up to now is 204.0 secs Computing kpt #: 101 total cpu time spent up to now is 205.9 secs Computing kpt #: 102 total cpu time spent up to now is 207.8 secs Computing kpt #: 103 total cpu time spent up to now is 209.6 secs Computing kpt #: 104 total cpu time spent up to now is 211.5 secs Computing kpt #: 105 total cpu time spent up to now is 213.4 secs Computing kpt #: 106 total cpu time spent up to now is 215.3 secs Computing kpt #: 107 total cpu time spent up to now is 217.2 secs Computing kpt #: 108 total cpu time spent up to now is 219.2 secs Computing kpt #: 109 total cpu time spent up to now is 221.1 secs Computing kpt #: 110 total cpu time spent up to now is 223.0 secs Computing kpt #: 111 total cpu time spent up to now is 225.0 secs Computing kpt #: 112 total cpu time spent up to now is 226.9 secs Computing kpt #: 113 total cpu time spent up to now is 228.8 secs Computing kpt #: 114 total cpu time spent up to now is 230.8 secs Computing kpt #: 115 total cpu time spent up to now is 232.8 secs Computing kpt #: 116 total cpu time spent up to now is 234.7 secs Computing kpt #: 117 total cpu time spent up to now is 236.7 secs Computing kpt #: 118 total cpu time spent up to now is 238.6 secs Computing kpt #: 119 total cpu time spent up to now is 240.5 secs Computing kpt #: 120 total cpu time spent up to now is 242.4 secs Computing kpt #: 121 total cpu time spent up to now is 244.3 secs Computing kpt #: 122 total cpu time spent up to now is 246.2 secs Computing kpt #: 123 total cpu time spent up to now is 248.1 secs Computing kpt #: 124 total cpu time spent up to now is 250.0 secs Computing kpt #: 125 total cpu time spent up to now is 251.9 secs Computing kpt #: 126 total cpu time spent up to now is 253.8 secs Computing kpt #: 127 total cpu time spent up to now is 255.8 secs Computing kpt #: 128 total cpu time spent up to now is 257.8 secs Computing kpt #: 129 total cpu time spent up to now is 260.1 secs Computing kpt #: 130 total cpu time spent up to now is 262.2 secs Computing kpt #: 131 total cpu time spent up to now is 264.2 secs Computing kpt #: 132 total cpu time spent up to now is 266.3 secs Computing kpt #: 133 total cpu time spent up to now is 268.4 secs Computing kpt #: 134 total cpu time spent up to now is 270.4 secs Computing kpt #: 135 total cpu time spent up to now is 272.5 secs Computing kpt #: 136 total cpu time spent up to now is 274.8 secs Computing kpt #: 137 total cpu time spent up to now is 277.1 secs Computing kpt #: 138 total cpu time spent up to now is 279.5 secs Computing kpt #: 139 total cpu time spent up to now is 282.0 secs Computing kpt #: 140 total cpu time spent up to now is 284.4 secs Computing kpt #: 141 total cpu time spent up to now is 286.7 secs Computing kpt #: 142 total cpu time spent up to now is 289.1 secs Computing kpt #: 143 total cpu time spent up to now is 291.4 secs Computing kpt #: 144 total cpu time spent up to now is 293.7 secs Computing kpt #: 145 total cpu time spent up to now is 296.0 secs Computing kpt #: 146 total cpu time spent up to now is 298.4 secs Computing kpt #: 147 total cpu time spent up to now is 300.8 secs Computing kpt #: 148 total cpu time spent up to now is 304.2 secs Computing kpt #: 149 total cpu time spent up to now is 306.7 secs Computing kpt #: 150 total cpu time spent up to now is 309.2 secs Computing kpt #: 151 total cpu time spent up to now is 311.6 secs Computing kpt #: 152 total cpu time spent up to now is 314.0 secs Computing kpt #: 153 total cpu time spent up to now is 316.4 secs Computing kpt #: 154 total cpu time spent up to now is 318.8 secs Computing kpt #: 155 total cpu time spent up to now is 321.1 secs Computing kpt #: 156 total cpu time spent up to now is 323.2 secs Computing kpt #: 157 total cpu time spent up to now is 325.3 secs Computing kpt #: 158 total cpu time spent up to now is 327.3 secs Computing kpt #: 159 total cpu time spent up to now is 329.3 secs Computing kpt #: 160 total cpu time spent up to now is 331.4 secs Computing kpt #: 161 total cpu time spent up to now is 333.3 secs Computing kpt #: 162 total cpu time spent up to now is 335.3 secs Computing kpt #: 163 total cpu time spent up to now is 337.2 secs Computing kpt #: 164 total cpu time spent up to now is 339.1 secs Computing kpt #: 165 total cpu time spent up to now is 341.0 secs Computing kpt #: 166 total cpu time spent up to now is 342.8 secs Computing kpt #: 167 total cpu time spent up to now is 344.7 secs Computing kpt #: 168 total cpu time spent up to now is 346.6 secs Computing kpt #: 169 total cpu time spent up to now is 348.1 secs Computing kpt #: 170 total cpu time spent up to now is 349.9 secs Computing kpt #: 171 total cpu time spent up to now is 351.7 secs Computing kpt #: 172 total cpu time spent up to now is 353.5 secs Computing kpt #: 173 total cpu time spent up to now is 355.3 secs Computing kpt #: 174 total cpu time spent up to now is 357.1 secs Computing kpt #: 175 total cpu time spent up to now is 358.8 secs Computing kpt #: 176 total cpu time spent up to now is 360.6 secs Computing kpt #: 177 total cpu time spent up to now is 362.4 secs Computing kpt #: 178 total cpu time spent up to now is 364.3 secs Computing kpt #: 179 total cpu time spent up to now is 366.1 secs Computing kpt #: 180 total cpu time spent up to now is 368.0 secs Computing kpt #: 181 total cpu time spent up to now is 369.8 secs Computing kpt #: 182 total cpu time spent up to now is 371.7 secs Computing kpt #: 183 total cpu time spent up to now is 373.7 secs Computing kpt #: 184 total cpu time spent up to now is 375.5 secs Computing kpt #: 185 total cpu time spent up to now is 378.7 secs Computing kpt #: 186 c_bands: 1 eigenvalues not converged total cpu time spent up to now is 382.6 secs Computing kpt #: 187 total cpu time spent up to now is 385.7 secs Computing kpt #: 188 total cpu time spent up to now is 388.9 secs Computing kpt #: 189 total cpu time spent up to now is 391.9 secs Computing kpt #: 190 total cpu time spent up to now is 394.3 secs Computing kpt #: 191 total cpu time spent up to now is 396.6 secs Computing kpt #: 192 total cpu time spent up to now is 398.9 secs Computing kpt #: 193 total cpu time spent up to now is 401.1 secs Computing kpt #: 194 total cpu time spent up to now is 403.1 secs Computing kpt #: 195 total cpu time spent up to now is 404.9 secs Computing kpt #: 196 total cpu time spent up to now is 406.8 secs Computing kpt #: 197 total cpu time spent up to now is 409.1 secs Computing kpt #: 198 total cpu time spent up to now is 411.6 secs Computing kpt #: 199 total cpu time spent up to now is 413.8 secs Computing kpt #: 200 total cpu time spent up to now is 415.8 secs Computing kpt #: 201 total cpu time spent up to now is 418.0 secs Computing kpt #: 202 total cpu time spent up to now is 420.0 secs Computing kpt #: 203 total cpu time spent up to now is 421.9 secs Computing kpt #: 204 total cpu time spent up to now is 423.9 secs Computing kpt #: 205 total cpu time spent up to now is 425.9 secs Computing kpt #: 206 total cpu time spent up to now is 427.8 secs Computing kpt #: 207 total cpu time spent up to now is 429.7 secs Computing kpt #: 208 total cpu time spent up to now is 431.6 secs Computing kpt #: 209 total cpu time spent up to now is 433.6 secs Computing kpt #: 210 total cpu time spent up to now is 435.6 secs Computing kpt #: 211 total cpu time spent up to now is 437.5 secs Computing kpt #: 212 total cpu time spent up to now is 439.5 secs Computing kpt #: 213 total cpu time spent up to now is 441.4 secs Computing kpt #: 214 total cpu time spent up to now is 443.4 secs Computing kpt #: 215 total cpu time spent up to now is 445.3 secs Computing kpt #: 216 total cpu time spent up to now is 447.3 secs Computing kpt #: 217 total cpu time spent up to now is 449.2 secs Computing kpt #: 218 total cpu time spent up to now is 451.2 secs Computing kpt #: 219 total cpu time spent up to now is 453.0 secs Computing kpt #: 220 total cpu time spent up to now is 455.0 secs Computing kpt #: 221 total cpu time spent up to now is 457.0 secs Computing kpt #: 222 total cpu time spent up to now is 458.9 secs Computing kpt #: 223 total cpu time spent up to now is 460.8 secs Computing kpt #: 224 total cpu time spent up to now is 462.9 secs Computing kpt #: 225 total cpu time spent up to now is 465.2 secs Computing kpt #: 226 total cpu time spent up to now is 467.9 secs Computing kpt #: 227 total cpu time spent up to now is 470.3 secs Computing kpt #: 228 total cpu time spent up to now is 472.5 secs Computing kpt #: 229 total cpu time spent up to now is 474.5 secs Computing kpt #: 230 total cpu time spent up to now is 476.6 secs Computing kpt #: 231 total cpu time spent up to now is 479.1 secs Computing kpt #: 232 total cpu time spent up to now is 481.1 secs Computing kpt #: 233 total cpu time spent up to now is 483.0 secs Computing kpt #: 234 total cpu time spent up to now is 484.9 secs Computing kpt #: 235 total cpu time spent up to now is 486.8 secs Computing kpt #: 236 total cpu time spent up to now is 488.8 secs Computing kpt #: 237 total cpu time spent up to now is 490.7 secs Computing kpt #: 238 total cpu time spent up to now is 492.6 secs Computing kpt #: 239 total cpu time spent up to now is 494.4 secs Computing kpt #: 240 total cpu time spent up to now is 496.2 secs Computing kpt #: 241 total cpu time spent up to now is 498.1 secs Computing kpt #: 242 total cpu time spent up to now is 499.9 secs Computing kpt #: 243 total cpu time spent up to now is 501.7 secs Computing kpt #: 244 total cpu time spent up to now is 503.6 secs Computing kpt #: 245 total cpu time spent up to now is 505.6 secs Computing kpt #: 246 total cpu time spent up to now is 507.5 secs Computing kpt #: 247 total cpu time spent up to now is 509.5 secs Computing kpt #: 248 total cpu time spent up to now is 511.8 secs Computing kpt #: 249 total cpu time spent up to now is 513.9 secs Computing kpt #: 250 total cpu time spent up to now is 516.4 secs Computing kpt #: 251 total cpu time spent up to now is 518.9 secs Computing kpt #: 252 total cpu time spent up to now is 521.2 secs Computing kpt #: 253 total cpu time spent up to now is 523.6 secs Computing kpt #: 254 total cpu time spent up to now is 525.6 secs Computing kpt #: 255 total cpu time spent up to now is 527.6 secs Computing kpt #: 256 total cpu time spent up to now is 529.9 secs Computing kpt #: 257 total cpu time spent up to now is 532.3 secs Computing kpt #: 258 total cpu time spent up to now is 534.7 secs Computing kpt #: 259 total cpu time spent up to now is 537.0 secs Computing kpt #: 260 total cpu time spent up to now is 539.4 secs Computing kpt #: 261 total cpu time spent up to now is 541.7 secs Computing kpt #: 262 total cpu time spent up to now is 544.0 secs Computing kpt #: 263 total cpu time spent up to now is 546.0 secs Computing kpt #: 264 total cpu time spent up to now is 548.0 secs Computing kpt #: 265 total cpu time spent up to now is 550.0 secs Computing kpt #: 266 total cpu time spent up to now is 552.1 secs Computing kpt #: 267 total cpu time spent up to now is 554.1 secs Computing kpt #: 268 total cpu time spent up to now is 556.2 secs Computing kpt #: 269 total cpu time spent up to now is 558.5 secs Computing kpt #: 270 total cpu time spent up to now is 560.9 secs Computing kpt #: 271 total cpu time spent up to now is 563.6 secs Computing kpt #: 272 total cpu time spent up to now is 566.9 secs Computing kpt #: 273 total cpu time spent up to now is 569.7 secs Computing kpt #: 274 total cpu time spent up to now is 572.1 secs Computing kpt #: 275 total cpu time spent up to now is 574.4 secs Computing kpt #: 276 total cpu time spent up to now is 576.7 secs Computing kpt #: 277 total cpu time spent up to now is 578.6 secs Computing kpt #: 278 total cpu time spent up to now is 580.4 secs Computing kpt #: 279 total cpu time spent up to now is 582.3 secs Computing kpt #: 280 total cpu time spent up to now is 584.2 secs Computing kpt #: 281 total cpu time spent up to now is 586.2 secs Computing kpt #: 282 total cpu time spent up to now is 589.5 secs Computing kpt #: 283 total cpu time spent up to now is 591.9 secs Computing kpt #: 284 total cpu time spent up to now is 593.9 secs Computing kpt #: 285 total cpu time spent up to now is 595.9 secs Computing kpt #: 286 total cpu time spent up to now is 597.8 secs Computing kpt #: 287 total cpu time spent up to now is 599.7 secs ethr = 2.08E-08, avg # of iterations = 37.1 total cpu time spent up to now is 599.7 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 7377 PWs) bands (ev): -19.6745 -19.6745 -19.6531 -19.6531 -6.6766 -6.6766 -6.2924 -6.2924 -5.8214 -5.8214 -4.9629 -4.9629 -4.6340 -4.6340 -4.4574 -4.4574 -4.2784 -4.2784 -4.2480 -4.2480 -3.6015 -3.6015 -3.3789 -3.3789 3.8101 3.8101 3.9177 3.9177 3.9880 3.9880 4.3722 4.3722 5.0567 5.0567 5.5040 5.5040 5.6129 5.6129 5.9949 5.9949 6.0691 6.0691 6.7255 6.7255 6.8771 6.8771 6.9027 6.9027 7.2302 7.2302 8.1856 8.1856 8.2306 8.2306 9.7270 9.7270 9.9497 9.9497 k = 0.0000 0.0000 0.0273 ( 7383 PWs) bands (ev): -19.6745 -19.6745 -19.6531 -19.6531 -6.6761 -6.6761 -6.2928 -6.2928 -5.8211 -5.8211 -4.9631 -4.9631 -4.6353 -4.6353 -4.4581 -4.4581 -4.2781 -4.2781 -4.2463 -4.2463 -3.6003 -3.6003 -3.3788 -3.3788 3.8083 3.8083 3.9156 3.9156 3.9864 3.9864 4.3736 4.3736 5.0501 5.0501 5.5071 5.5071 5.6153 5.6153 5.9890 5.9890 6.0635 6.0635 6.7216 6.7216 6.8734 6.8734 6.8946 6.8946 7.2456 7.2456 8.1870 8.1870 8.2320 8.2320 9.7334 9.7334 9.9527 9.9527 k = 0.0000 0.0000 0.0545 ( 7369 PWs) bands (ev): -19.6744 -19.6744 -19.6531 -19.6531 -6.6749 -6.6749 -6.2940 -6.2940 -5.8203 -5.8203 -4.9639 -4.9639 -4.6390 -4.6390 -4.4602 -4.4602 -4.2771 -4.2771 -4.2415 -4.2415 -3.5965 -3.5965 -3.3782 -3.3782 3.8028 3.8028 3.9100 3.9100 3.9815 3.9815 4.3779 4.3779 5.0313 5.0313 5.5146 5.5146 5.6233 5.6233 5.9689 5.9689 6.0496 6.0496 6.7093 6.7093 6.8592 6.8592 6.8780 6.8780 7.2876 7.2876 8.1907 8.1907 8.2365 8.2365 9.7523 9.7523 9.9614 9.9614 k = 0.0000 0.0000 0.0818 ( 7371 PWs) bands (ev): -19.6743 -19.6743 -19.6530 -19.6530 -6.6729 -6.6729 -6.2960 -6.2960 -5.8188 -5.8188 -4.9652 -4.9652 -4.6448 -4.6448 -4.4637 -4.4637 -4.2754 -4.2754 -4.2338 -4.2338 -3.5903 -3.5903 -3.3773 -3.3773 3.7926 3.7926 3.9019 3.9019 3.9738 3.9738 4.3845 4.3845 5.0028 5.0028 5.5221 5.5221 5.6388 5.6388 5.9305 5.9305 6.0338 6.0338 6.6873 6.6873 6.8314 6.8314 6.8642 6.8642 7.3481 7.3481 8.1959 8.1959 8.2453 8.2453 9.7833 9.7833 9.9758 9.9758 k = 0.0000 0.0000 0.1090 ( 7371 PWs) bands (ev): -19.6741 -19.6741 -19.6530 -19.6530 -6.6700 -6.6700 -6.2987 -6.2987 -5.8168 -5.8168 -4.9671 -4.9671 -4.6524 -4.6524 -4.4685 -4.4685 -4.2732 -4.2732 -4.2235 -4.2235 -3.5819 -3.5819 -3.3761 -3.3761 3.7763 3.7763 3.8929 3.8929 3.9636 3.9636 4.3929 4.3929 4.9672 4.9672 5.5261 5.5261 5.6627 5.6627 5.8742 5.8742 6.0185 6.0185 6.6543 6.6543 6.7982 6.7982 6.8516 6.8516 7.4207 7.4207 8.2016 8.2016 8.2594 8.2594 9.8256 9.8256 9.9953 9.9953 k = 0.0000 0.0000 0.1363 ( 7379 PWs) bands (ev): -19.6739 -19.6739 -19.6529 -19.6529 -6.6665 -6.6665 -6.3021 -6.3021 -5.8142 -5.8142 -4.9695 -4.9695 -4.6612 -4.6612 -4.4744 -4.4744 -4.2704 -4.2704 -4.2111 -4.2111 -3.5715 -3.5715 -3.3745 -3.3745 3.7533 3.7533 3.8841 3.8841 3.9514 3.9514 4.4026 4.4026 4.9270 4.9270 5.5260 5.5260 5.6932 5.6932 5.8038 5.8038 6.0029 6.0029 6.6102 6.6102 6.7634 6.7634 6.8395 6.8395 7.5017 7.5017 8.2078 8.2078 8.2795 8.2795 9.8782 9.8782 10.0196 10.0196 k = 0.0000 0.0000 0.1635 ( 7387 PWs) bands (ev): -19.6736 -19.6736 -19.6528 -19.6528 -6.6622 -6.6622 -6.3062 -6.3062 -5.8108 -5.8108 -4.9726 -4.9726 -4.6707 -4.6707 -4.4812 -4.4812 -4.2672 -4.2672 -4.1969 -4.1969 -3.5594 -3.5594 -3.3727 -3.3727 3.7235 3.7235 3.8755 3.8755 3.9379 3.9379 4.4130 4.4130 4.8838 4.8838 5.5226 5.5226 5.7222 5.7222 5.7285 5.7285 5.9861 5.9861 6.5565 6.5565 6.7276 6.7276 6.8280 6.8280 7.5885 7.5885 8.2150 8.2150 8.3051 8.3051 9.9399 9.9399 10.0484 10.0484 k = 0.0000 0.0000 0.1908 ( 7397 PWs) bands (ev): -19.6733 -19.6733 -19.6527 -19.6527 -6.6573 -6.6573 -6.3109 -6.3109 -5.8068 -5.8068 -4.9763 -4.9763 -4.6805 -4.6805 -4.4887 -4.4887 -4.2635 -4.2635 -4.1816 -4.1816 -3.5459 -3.5459 -3.3705 -3.3705 3.6878 3.6878 3.8663 3.8663 3.9239 3.9239 4.4238 4.4238 4.8389 4.8389 5.5170 5.5170 5.6340 5.6340 5.7643 5.7643 5.9679 5.9679 6.4952 6.4952 6.6909 6.6909 6.8173 6.8173 7.6794 7.6794 8.2240 8.2240 8.3359 8.3359 10.0096 10.0096 10.0812 10.0812 k = 0.0000 0.0000 0.2181 ( 7395 PWs) bands (ev): -19.6729 -19.6729 -19.6526 -19.6526 -6.6517 -6.6517 -6.3161 -6.3161 -5.8021 -5.8021 -4.9806 -4.9806 -4.6903 -4.6903 -4.4968 -4.4968 -4.2595 -4.2595 -4.1653 -4.1653 -3.5314 -3.5314 -3.3681 -3.3681 3.6472 3.6472 3.8551 3.8551 3.9105 3.9105 4.4347 4.4347 4.7930 4.7930 5.5086 5.5086 5.5408 5.5408 5.8008 5.8008 5.9483 5.9483 6.4283 6.4283 6.6536 6.6536 6.8068 6.8068 7.7733 7.7733 8.2358 8.2358 8.3715 8.3715 10.0862 10.0862 10.1180 10.1180 k = 0.0000 0.0000 0.2453 ( 7403 PWs) bands (ev): -19.6725 -19.6725 -19.6525 -19.6525 -6.6456 -6.6456 -6.3218 -6.3218 -5.7965 -5.7965 -4.9856 -4.9856 -4.6998 -4.6998 -4.5051 -4.5051 -4.2551 -4.2551 -4.1485 -4.1485 -3.5162 -3.5162 -3.3654 -3.3654 3.6025 3.6025 3.8407 3.8407 3.8984 3.8984 4.4453 4.4453 4.7468 4.7468 5.4375 5.4375 5.5050 5.5050 5.8362 5.8362 5.9277 5.9277 6.3574 6.3574 6.6162 6.6162 6.7963 6.7963 7.8692 7.8692 8.2511 8.2511 8.4115 8.4115 10.1579 10.1579 10.1694 10.1694 k = 0.0000 0.0000 0.2726 ( 7393 PWs) bands (ev): -19.6721 -19.6721 -19.6523 -19.6523 -6.6391 -6.6391 -6.3279 -6.3279 -5.7901 -5.7901 -4.9913 -4.9913 -4.7087 -4.7087 -4.5136 -4.5136 -4.2505 -4.2505 -4.1315 -4.1315 -3.5006 -3.5006 -3.3624 -3.3624 3.5547 3.5547 3.8230 3.8230 3.8875 3.8875 4.4556 4.4556 4.7008 4.7008 5.3347 5.3347 5.4970 5.4970 5.8697 5.8697 5.9066 5.9066 6.2841 6.2841 6.5793 6.5793 6.7856 6.7856 7.9665 7.9665 8.2706 8.2706 8.4556 8.4556 10.2023 10.2023 10.2567 10.2567 k = 0.0000 0.0000 0.2998 ( 7385 PWs) bands (ev): -19.6716 -19.6716 -19.6522 -19.6522 -6.6321 -6.6321 -6.3343 -6.3343 -5.7828 -5.7828 -4.9975 -4.9975 -4.7169 -4.7169 -4.5219 -4.5219 -4.2457 -4.2457 -4.1144 -4.1144 -3.4852 -3.4852 -3.3592 -3.3592 3.5043 3.5043 3.8027 3.8027 3.8767 3.8767 4.4654 4.4654 4.6554 4.6554 5.2286 5.2286 5.4896 5.4896 5.8853 5.8853 5.9007 5.9007 6.2096 6.2096 6.5435 6.5435 6.7743 6.7743 8.0645 8.0645 8.2949 8.2949 8.5035 8.5035 10.2499 10.2499 10.3487 10.3487 k = 0.0000 0.0000 0.3271 ( 7393 PWs) bands (ev): -19.6711 -19.6711 -19.6520 -19.6520 -6.6249 -6.6249 -6.3410 -6.3410 -5.7745 -5.7745 -5.0042 -5.0042 -4.7242 -4.7242 -4.5300 -4.5300 -4.2407 -4.2407 -4.0975 -4.0975 -3.4703 -3.4703 -3.3558 -3.3558 3.4519 3.4519 3.7809 3.7809 3.8652 3.8652 4.4744 4.4744 4.6109 4.6109 5.1201 5.1201 5.4828 5.4828 5.8651 5.8651 5.9282 5.9282 6.1351 6.1351 6.5093 6.5093 6.7625 6.7625 8.1628 8.1628 8.3245 8.3245 8.5549 8.5549 10.3010 10.3010 10.4444 10.4444 k = 0.0000 0.0000 0.3543 ( 7373 PWs) bands (ev): -19.6705 -19.6705 -19.6518 -19.6518 -6.6174 -6.6174 -6.3478 -6.3478 -5.7652 -5.7652 -5.0114 -5.0114 -4.7307 -4.7307 -4.5376 -4.5376 -4.2355 -4.2355 -4.0810 -4.0810 -3.4563 -3.4563 -3.3521 -3.3521 3.3980 3.3980 3.7582 3.7582 3.8518 3.8518 4.4818 4.4818 4.5682 4.5682 5.0099 5.0099 5.4767 5.4767 5.8466 5.8466 5.9523 5.9523 6.0619 6.0619 6.4769 6.4769 6.7500 6.7500 8.2606 8.2606 8.3602 8.3602 8.6097 8.6097 10.3556 10.3556 10.5434 10.5434 k = 0.0000 0.0000 0.3816 ( 7367 PWs) bands (ev): -19.6700 -19.6700 -19.6517 -19.6517 -6.6097 -6.6097 -6.3547 -6.3547 -5.7549 -5.7549 -5.0189 -5.0189 -4.7363 -4.7363 -4.5448 -4.5448 -4.2302 -4.2302 -4.0649 -4.0649 -3.4437 -3.4437 -3.3481 -3.3481 3.3429 3.3429 3.7354 3.7354 3.8360 3.8360 4.4845 4.4845 4.5305 4.5305 4.8985 4.8985 5.4715 5.4715 5.8304 5.8304 5.9703 5.9703 5.9930 5.9930 6.4464 6.4464 6.7368 6.7368 8.3559 8.3559 8.4038 8.4038 8.6674 8.6674 10.4136 10.4136 10.6452 10.6452 k = 0.0000 0.0000 0.4089 ( 7363 PWs) bands (ev): -19.6693 -19.6693 -19.6515 -19.6515 -6.6020 -6.6020 -6.3616 -6.3616 -5.7434 -5.7434 -5.0265 -5.0265 -4.7411 -4.7411 -4.5513 -4.5513 -4.2248 -4.2248 -4.0493 -4.0493 -3.4328 -3.4328 -3.3437 -3.3437 3.2871 3.2871 3.7130 3.7130 3.8174 3.8174 4.4674 4.4674 4.5122 4.5122 4.7870 4.7870 5.4673 5.4673 5.8175 5.8175 5.9199 5.9199 5.9916 5.9916 6.4180 6.4180 6.7229 6.7229 8.4349 8.4349 8.4691 8.4691 8.7280 8.7280 10.4748 10.4748 10.7494 10.7494 k = 0.0000 0.0000 0.4361 ( 7363 PWs) bands (ev): -19.6687 -19.6687 -19.6513 -19.6513 -6.5942 -6.5942 -6.3684 -6.3684 -5.7309 -5.7309 -5.0341 -5.0341 -4.7450 -4.7450 -4.5571 -4.5571 -4.2194 -4.2194 -4.0344 -4.0344 -3.4241 -3.4241 -3.3389 -3.3389 3.2309 3.2309 3.6913 3.6913 3.7954 3.7954 4.4318 4.4318 4.5099 4.5099 4.6779 4.6779 5.4643 5.4643 5.8083 5.8083 5.8552 5.8552 6.0045 6.0045 6.3916 6.3916 6.7085 6.7085 8.4930 8.4930 8.5603 8.5603 8.7911 8.7911 10.5392 10.5392 10.8559 10.8559 k = 0.0000 0.0000 0.4634 ( 7365 PWs) bands (ev): -19.6681 -19.6681 -19.6511 -19.6511 -6.5866 -6.5866 -6.3752 -6.3752 -5.7172 -5.7172 -5.0416 -5.0416 -4.7483 -4.7483 -4.5622 -4.5622 -4.2141 -4.2141 -4.0201 -4.0201 -3.4177 -3.4177 -3.3340 -3.3340 3.1745 3.1745 3.6708 3.6708 3.7701 3.7701 4.3933 4.3933 4.4937 4.4937 4.5859 4.5859 5.4626 5.4626 5.7912 5.7912 5.8064 5.8064 6.0143 6.0143 6.3672 6.3672 6.6935 6.6935 8.5521 8.5521 8.6552 8.6552 8.8566 8.8566 10.6065 10.6065 10.9643 10.9643 k = 0.0000 0.0000 0.4906 ( 7361 PWs) bands (ev): -19.6674 -19.6674 -19.6508 -19.6508 -6.5790 -6.5790 -6.3818 -6.3818 -5.7024 -5.7024 -5.0488 -5.0488 -4.7509 -4.7509 -4.5664 -4.5664 -4.2088 -4.2088 -4.0064 -4.0064 -3.4137 -3.4137 -3.3289 -3.3289 3.1183 3.1183 3.6518 3.6518 3.7413 3.7413 4.3549 4.3549 4.4176 4.4176 4.5547 4.5547 5.4621 5.4621 5.7357 5.7357 5.8055 5.8055 6.0209 6.0209 6.3447 6.3447 6.6781 6.6781 8.6160 8.6160 8.7497 8.7497 8.9243 8.9243 10.6764 10.6764 11.0739 11.0739 k = 0.0000 0.0000 0.5179 ( 7368 PWs) bands (ev): -19.6667 -19.6667 -19.6506 -19.6506 -6.5716 -6.5716 -6.3881 -6.3881 -5.6865 -5.6865 -5.0557 -5.0557 -4.7529 -4.7529 -4.5697 -4.5697 -4.2036 -4.2036 -3.9935 -3.9935 -3.4121 -3.4121 -3.3242 -3.3242 3.0623 3.0623 3.6343 3.6343 3.7092 3.7092 4.3052 4.3052 4.3230 4.3230 4.5543 4.5543 5.4629 5.4629 5.6835 5.6835 5.8112 5.8112 6.0244 6.0244 6.3240 6.3240 6.6625 6.6625 8.6847 8.6847 8.8434 8.8434 8.9940 8.9940 10.7486 10.7486 11.1815 11.1815 k = 0.0000 0.0000 0.5452 ( 7360 PWs) bands (ev): -19.6660 -19.6660 -19.6504 -19.6504 -6.5645 -6.5645 -6.3941 -6.3941 -5.6696 -5.6696 -5.0620 -5.0620 -4.7543 -4.7543 -4.5722 -4.5722 -4.1986 -4.1986 -3.9811 -3.9811 -3.4127 -3.4127 -3.3201 -3.3201 3.0069 3.0069 3.6183 3.6183 3.6743 3.6743 4.1967 4.1967 4.2835 4.2835 4.5592 4.5592 5.4650 5.4650 5.6361 5.6361 5.8224 5.8224 6.0253 6.0253 6.3052 6.3052 6.6467 6.6467 8.7581 8.7581 8.9358 8.9358 9.0654 9.0654 10.8228 10.8228 11.2521 11.2521 k = 0.0000 0.0000 0.5724 ( 7360 PWs) bands (ev): -19.6653 -19.6653 -19.6502 -19.6502 -6.5577 -6.5577 -6.3998 -6.3998 -5.6516 -5.6516 -5.0676 -5.0676 -4.7551 -4.7551 -4.5738 -4.5738 -4.1938 -4.1938 -3.9694 -3.9694 -3.4154 -3.4154 -3.3171 -3.3171 2.9521 2.9521 3.6027 3.6027 3.6384 3.6384 4.0843 4.0843 4.2485 4.2485 4.5656 4.5656 5.4684 5.4684 5.5939 5.5939 5.8389 5.8389 6.0238 6.0238 6.2880 6.2880 6.6309 6.6309 8.8357 8.8357 9.0271 9.0271 9.1385 9.1385 10.8983 10.8983 11.2927 11.2927 k = 0.0000 0.0000 0.5997 ( 7360 PWs) bands (ev): -19.6645 -19.6645 -19.6500 -19.6500 -6.5512 -6.5512 -6.4052 -6.4052 -5.6328 -5.6328 -5.0725 -5.0725 -4.7555 -4.7555 -4.5745 -4.5745 -4.1893 -4.1893 -3.9583 -3.9583 -3.4201 -3.4201 -3.3153 -3.3153 2.8980 2.8980 3.5800 3.5800 3.6091 3.6091 3.9723 3.9723 4.2151 4.2151 4.5724 4.5724 5.4729 5.4729 5.5570 5.5570 5.8606 5.8606 6.0203 6.0203 6.2724 6.2724 6.6154 6.6154 8.9171 8.9171 9.1170 9.1170 9.2131 9.2131 10.9746 10.9746 11.3269 11.3269 k = 0.0000 0.0000 0.6269 ( 7352 PWs) bands (ev): -19.6638 -19.6638 -19.6497 -19.6497 -6.5450 -6.5450 -6.4101 -6.4101 -5.6131 -5.6131 -5.0766 -5.0766 -4.7553 -4.7553 -4.5743 -4.5743 -4.1851 -4.1851 -3.9477 -3.9477 -3.4267 -3.4267 -3.3149 -3.3149 2.8447 2.8447 3.5423 3.5423 3.5950 3.5950 3.8618 3.8618 4.1830 4.1830 4.5793 4.5793 5.4783 5.4783 5.5255 5.5255 5.8871 5.8871 6.0151 6.0151 6.2584 6.2584 6.6003 6.6003 9.0020 9.0020 9.2057 9.2057 9.2888 9.2888 11.0507 11.0507 11.3547 11.3547 k = 0.0000 0.0000 0.6542 ( 7368 PWs) bands (ev): -19.6631 -19.6631 -19.6495 -19.6495 -6.5393 -6.5393 -6.4146 -6.4146 -5.5928 -5.5928 -5.0796 -5.0796 -4.7547 -4.7547 -4.5733 -4.5733 -4.1813 -4.1813 -3.9377 -3.9377 -3.4351 -3.4351 -3.3162 -3.3162 2.7923 2.7923 3.4983 3.4983 3.5878 3.5878 3.7532 3.7532 4.1523 4.1523 4.5864 4.5864 5.4828 5.4828 5.5011 5.5011 5.9181 5.9181 6.0085 6.0085 6.2459 6.2459 6.5859 6.5859 9.0896 9.0896 9.2931 9.2931 9.3657 9.3657 11.1251 11.1251 11.3742 11.3742 k = 0.0000 0.0000 0.6814 ( 7372 PWs) bands (ev): -19.6624 -19.6624 -19.6493 -19.6493 -6.5339 -6.5339 -6.4186 -6.4186 -5.5720 -5.5720 -5.0817 -5.0817 -4.7536 -4.7536 -4.5714 -4.5714 -4.1779 -4.1779 -3.9281 -3.9281 -3.4451 -3.4451 -3.3191 -3.3191 2.7407 2.7407 3.4520 3.4520 3.5841 3.5841 3.6472 3.6472 4.1230 4.1230 4.5935 4.5935 5.4732 5.4732 5.4967 5.4967 5.9526 5.9526 6.0012 6.0012 6.2351 6.2351 6.5725 6.5725 9.1797 9.1797 9.3792 9.3792 9.4435 9.4435 11.1945 11.1945 11.3845 11.3845 k = 0.0000 0.0000 0.7087 ( 7370 PWs) bands (ev): -19.6617 -19.6617 -19.6491 -19.6491 -6.5290 -6.5290 -6.4221 -6.4221 -5.5508 -5.5508 -5.0826 -5.0826 -4.7521 -4.7521 -4.5687 -4.5687 -4.1749 -4.1749 -3.9190 -3.9190 -3.4567 -3.4567 -3.3237 -3.3237 2.6899 2.6899 3.4042 3.4042 3.5442 3.5442 3.5831 3.5831 4.0951 4.0951 4.6005 4.6005 5.4575 5.4575 5.5040 5.5040 5.9841 5.9841 5.9993 5.9993 6.2261 6.2261 6.5603 6.5603 9.2715 9.2715 9.4642 9.4642 9.5220 9.5220 11.2486 11.2486 11.3923 11.3923 k = 0.0000 0.0000 0.7360 ( 7362 PWs) bands (ev): -19.6610 -19.6610 -19.6488 -19.6488 -6.5244 -6.5244 -6.4251 -6.4251 -5.5295 -5.5295 -5.0824 -5.0824 -4.7501 -4.7501 -4.5652 -4.5652 -4.1725 -4.1725 -3.9104 -3.9104 -3.4699 -3.4699 -3.3299 -3.3299 2.6397 2.6397 3.3557 3.3557 3.4451 3.4451 3.5845 3.5845 4.0685 4.0685 4.6076 4.6076 5.4453 5.4453 5.5126 5.5126 5.9807 5.9807 6.0340 6.0340 6.2194 6.2194 6.5496 6.5496 9.3647 9.3647 9.5479 9.5479 9.6010 9.6010 11.2640 11.2640 11.4207 11.4207 k = 0.0000 0.0000 0.7632 ( 7366 PWs) bands (ev): -19.6603 -19.6603 -19.6486 -19.6486 -6.5204 -6.5204 -6.4276 -6.4276 -5.5082 -5.5082 -5.0809 -5.0809 -4.7476 -4.7476 -4.5610 -4.5610 -4.1705 -4.1705 -3.9021 -3.9021 -3.4845 -3.4845 -3.3377 -3.3377 2.5902 2.5902 3.3062 3.3062 3.3508 3.3508 3.5881 3.5881 4.0433 4.0433 4.6147 4.6147 5.4372 5.4372 5.5218 5.5218 5.9715 5.9715 6.0747 6.0747 6.2162 6.2162 6.5408 6.5408 9.4586 9.4586 9.6304 9.6304 9.6804 9.6804 11.2381 11.2381 11.4756 11.4756 k = 0.0000 0.0000 0.7905 ( 7374 PWs) bands (ev): -19.6596 -19.6596 -19.6484 -19.6484 -6.5167 -6.5167 -6.4295 -6.4295 -5.4873 -5.4873 -5.0781 -5.0781 -4.7448 -4.7448 -4.5561 -4.5561 -4.1691 -4.1691 -3.8942 -3.8942 -3.5004 -3.5004 -3.3469 -3.3469 2.5411 2.5411 3.2490 3.2490 3.2693 3.2693 3.5936 3.5936 4.0196 4.0196 4.6217 4.6217 5.4329 5.4329 5.5310 5.5310 5.9617 5.9617 6.1125 6.1125 6.2196 6.2196 6.5342 6.5342 9.5528 9.5528 9.7116 9.7116 9.7599 9.7599 11.1924 11.1924 11.5398 11.5398 k = 0.0000 0.0000 0.8177 ( 7366 PWs) bands (ev): -19.6589 -19.6589 -19.6482 -19.6482 -6.5134 -6.5134 -6.4310 -6.4310 -5.4668 -5.4668 -5.0740 -5.0740 -4.7415 -4.7415 -4.5504 -4.5504 -4.1682 -4.1682 -3.8867 -3.8867 -3.5174 -3.5174 -3.3575 -3.3575 2.4923 2.4923 3.1694 3.1694 3.2158 3.2158 3.6009 3.6009 3.9972 3.9972 4.6288 4.6288 5.4321 5.4321 5.5400 5.5400 5.9518 5.9518 6.1399 6.1399 6.2365 6.2365 6.5300 6.5300 9.6465 9.6465 9.7916 9.7916 9.8392 9.8392 11.1390 11.1390 11.6054 11.6054 k = 0.0000 0.0000 0.8450 ( 7370 PWs) bands (ev): -19.6583 -19.6583 -19.6480 -19.6480 -6.5106 -6.5106 -6.4321 -6.4321 -5.4470 -5.4470 -5.0686 -5.0686 -4.7378 -4.7378 -4.5442 -4.5442 -4.1678 -4.1678 -3.8795 -3.8795 -3.5354 -3.5354 -3.3692 -3.3692 2.4436 2.4436 3.0901 3.0901 3.1687 3.1687 3.6098 3.6098 3.9762 3.9762 4.6358 4.6358 5.4344 5.4344 5.5484 5.5484 5.9419 5.9419 6.1525 6.1525 6.2704 6.2704 6.5286 6.5286 9.7394 9.7394 9.8701 9.8701 9.9183 9.9183 11.0832 11.0832 11.6695 11.6695 k = 0.0000 0.0000 0.8722 ( 7364 PWs) bands (ev): -19.6577 -19.6577 -19.6478 -19.6478 -6.5081 -6.5081 -6.4326 -6.4326 -5.4281 -5.4281 -5.0618 -5.0618 -4.7338 -4.7338 -4.5374 -4.5374 -4.1681 -4.1681 -3.8727 -3.8727 -3.5543 -3.5543 -3.3818 -3.3818 2.3951 2.3951 3.0162 3.0162 3.1237 3.1237 3.6198 3.6198 3.9566 3.9566 4.6429 4.6429 5.4395 5.4395 5.5561 5.5561 5.9322 5.9322 6.1560 6.1560 6.3151 6.3151 6.5301 6.5301 9.8308 9.8308 9.9470 9.9470 9.9969 9.9969 11.0279 11.0279 11.7306 11.7306 k = 0.0000 0.0000 0.8995 ( 7374 PWs) bands (ev): -19.6571 -19.6571 -19.6477 -19.6477 -6.5060 -6.5060 -6.4328 -6.4328 -5.4102 -5.4102 -5.0539 -5.0539 -4.7295 -4.7295 -4.5300 -4.5300 -4.1689 -4.1689 -3.8663 -3.8663 -3.5738 -3.5738 -3.3951 -3.3951 2.3467 2.3467 2.9482 2.9482 3.0804 3.0804 3.6308 3.6308 3.9384 3.9384 4.6499 4.6499 5.4468 5.4468 5.5628 5.5628 5.9228 5.9228 6.1560 6.1560 6.3644 6.3644 6.5346 6.5346 9.9201 9.9201 10.0221 10.0221 10.0747 10.0747 10.9748 10.9748 11.7881 11.7881 k = 0.0000 0.0000 0.9268 ( 7370 PWs) bands (ev): -19.6566 -19.6566 -19.6475 -19.6475 -6.5042 -6.5042 -6.4327 -6.4327 -5.3936 -5.3936 -5.0448 -5.0448 -4.7250 -4.7250 -4.5222 -4.5222 -4.1702 -4.1702 -3.8603 -3.8603 -3.5936 -3.5936 -3.4089 -3.4089 2.2986 2.2986 2.8865 2.8865 3.0393 3.0393 3.6424 3.6424 3.9217 3.9217 4.6568 4.6568 5.4560 5.4560 5.5683 5.5683 5.9138 5.9138 6.1548 6.1548 6.4151 6.4151 6.5424 6.5424 10.0066 10.0066 10.0952 10.0952 10.1515 10.1515 10.9249 10.9249 11.8412 11.8412 k = 0.0000 0.0000 0.9540 ( 7368 PWs) bands (ev): -19.6561 -19.6561 -19.6473 -19.6473 -6.5027 -6.5027 -6.4323 -6.4323 -5.3782 -5.3782 -5.0347 -5.0347 -4.7202 -4.7202 -4.5141 -4.5141 -4.1720 -4.1720 -3.8547 -3.8547 -3.6137 -3.6137 -3.4230 -3.4230 2.2511 2.2511 2.8311 2.8311 3.0003 3.0003 3.6543 3.6543 3.9064 3.9064 4.6636 4.6636 5.4666 5.4666 5.5726 5.5726 5.9053 5.9053 6.1533 6.1533 6.4657 6.4657 6.5534 6.5534 10.0898 10.0898 10.1660 10.1660 10.2270 10.2270 10.8791 10.8791 11.8892 11.8892 k = 0.0000 0.0000 0.9813 ( 7366 PWs) bands (ev): -19.6556 -19.6556 -19.6472 -19.6472 -6.5014 -6.5014 -6.4317 -6.4317 -5.3643 -5.3643 -5.0238 -5.0238 -4.7154 -4.7154 -4.5056 -4.5056 -4.1744 -4.1744 -3.8495 -3.8495 -3.6336 -3.6336 -3.4370 -3.4370 2.2046 2.2046 2.7819 2.7819 2.9637 2.9637 3.6663 3.6663 3.8926 3.8926 4.6703 4.6703 5.4782 5.4782 5.5757 5.5757 5.8974 5.8974 6.1517 6.1517 6.5146 6.5146 6.5679 6.5679 10.1688 10.1688 10.2341 10.2341 10.3008 10.3008 10.8376 10.8376 11.9311 11.9311 k = 0.0000 0.0000 1.0085 ( 7370 PWs) bands (ev): -19.6551 -19.6551 -19.6471 -19.6471 -6.5003 -6.5003 -6.4309 -6.4309 -5.3517 -5.3517 -5.0125 -5.0125 -4.7105 -4.7105 -4.4970 -4.4970 -4.1771 -4.1771 -3.8447 -3.8447 -3.6533 -3.6533 -3.4508 -3.4508 2.1595 2.1595 2.7386 2.7386 2.9298 2.9298 3.6780 3.6780 3.8803 3.8803 4.6767 4.6767 5.4902 5.4902 5.5778 5.5778 5.8900 5.8900 6.1502 6.1502 6.5583 6.5583 6.5884 6.5884 10.2431 10.2431 10.2991 10.2991 10.3727 10.3727 10.8010 10.8010 11.9650 11.9650 k = 0.0000 0.0000 1.0358 ( 7372 PWs) bands (ev): -19.6547 -19.6547 -19.6469 -19.6469 -6.4994 -6.4994 -6.4301 -6.4301 -5.3404 -5.3404 -5.0008 -5.0008 -4.7057 -4.7057 -4.4883 -4.4883 -4.1803 -4.1803 -3.8403 -3.8403 -3.6723 -3.6723 -3.4640 -3.4640 2.1165 2.1165 2.7008 2.7008 2.8986 2.8986 3.6890 3.6890 3.8696 3.8696 4.6828 4.6828 5.5023 5.5023 5.5788 5.5788 5.8832 5.8832 6.1490 6.1490 6.5885 6.5885 6.6217 6.6217 10.3118 10.3118 10.3607 10.3607 10.4420 10.4420 10.7692 10.7692 11.9886 11.9886 k = 0.0000 0.0000 1.0630 ( 7380 PWs) bands (ev): -19.6543 -19.6543 -19.6468 -19.6468 -6.4986 -6.4986 -6.4292 -6.4292 -5.3306 -5.3306 -4.9893 -4.9893 -4.7011 -4.7011 -4.4797 -4.4797 -4.1837 -4.1837 -3.8364 -3.8364 -3.6905 -3.6905 -3.4766 -3.4766 2.0762 2.0762 2.6682 2.6682 2.8703 2.8703 3.6993 3.6993 3.8605 3.8605 4.6885 4.6885 5.5139 5.5139 5.5793 5.5793 5.8771 5.8771 6.1479 6.1479 6.6100 6.6100 6.6621 6.6621 10.3742 10.3742 10.4181 10.4181 10.5084 10.5084 10.7426 10.7426 12.0038 12.0038 k = 0.0000 0.0000 1.0903 ( 7380 PWs) bands (ev): -19.6540 -19.6540 -19.6467 -19.6467 -6.4980 -6.4980 -6.4283 -6.4283 -5.3220 -5.3220 -4.9781 -4.9781 -4.6967 -4.6967 -4.4714 -4.4714 -4.1873 -4.1873 -3.8328 -3.8328 -3.7076 -3.7076 -3.4881 -3.4881 2.0392 2.0392 2.6404 2.6404 2.8450 2.8450 3.7084 3.7084 3.8529 3.8529 4.6938 4.6938 5.5247 5.5247 5.5794 5.5794 5.8717 5.8717 6.1469 6.1469 6.6295 6.6295 6.7012 6.7012 10.4297 10.4297 10.4707 10.4707 10.5711 10.5711 10.7212 10.7212 11.9547 11.9548 k = 0.0000 0.0000 1.1176 ( 7380 PWs) bands (ev): -19.6537 -19.6537 -19.6466 -19.6466 -6.4974 -6.4974 -6.4274 -6.4274 -5.3147 -5.3147 -4.9676 -4.9676 -4.6927 -4.6927 -4.4635 -4.4635 -4.1909 -4.1909 -3.8296 -3.8296 -3.7233 -3.7233 -3.4985 -3.4985 2.0060 2.0060 2.6171 2.6171 2.8229 2.8229 3.7162 3.7162 3.8470 3.8470 4.6986 4.6986 5.5340 5.5340 5.5795 5.5795 5.8669 5.8669 6.1462 6.1462 6.6481 6.6481 6.7370 6.7370 10.4776 10.4776 10.5174 10.5174 10.6294 10.6294 10.7057 10.7057 11.8790 11.8790 k = 0.0000 0.0000 1.1448 ( 7374 PWs) bands (ev): -19.6534 -19.6534 -19.6466 -19.6466 -6.4970 -6.4970 -6.4266 -6.4266 -5.3086 -5.3086 -4.9582 -4.9582 -4.6891 -4.6891 -4.4563 -4.4563 -4.1944 -4.1944 -3.8267 -3.8267 -3.7374 -3.7374 -3.5076 -3.5076 1.9771 1.9771 2.5979 2.5979 2.8040 2.8040 3.7225 3.7225 3.8425 3.8425 4.7028 4.7028 5.5414 5.5414 5.5802 5.5802 5.8629 5.8629 6.1456 6.1456 6.6653 6.6653 6.7684 6.7684 10.5173 10.5173 10.5571 10.5571 10.6806 10.6806 10.6981 10.6981 11.8068 11.8068 k = 0.0000 0.0000 1.1721 ( 7378 PWs) bands (ev): -19.6532 -19.6532 -19.6465 -19.6465 -6.4966 -6.4966 -6.4259 -6.4259 -5.3037 -5.3037 -4.9500 -4.9500 -4.6860 -4.6860 -4.4499 -4.4499 -4.1977 -4.1977 -3.8241 -3.8241 -3.7497 -3.7497 -3.5152 -3.5152 1.9528 1.9528 2.5825 2.5825 2.7885 2.7885 3.7274 3.7274 3.8393 3.8393 4.7063 4.7063 5.5466 5.5466 5.5817 5.5817 5.8596 5.8596 6.1451 6.1451 6.6804 6.6804 6.7948 6.7948 10.5477 10.5477 10.5886 10.5886 10.6916 10.6916 10.7313 10.7313 11.7422 11.7422 k = 0.0000 0.0000 1.1993 ( 7380 PWs) bands (ev): -19.6531 -19.6531 -19.6464 -19.6464 -6.4964 -6.4964 -6.4254 -6.4254 -5.2999 -5.2999 -4.9433 -4.9433 -4.6835 -4.6835 -4.4447 -4.4447 -4.2005 -4.2005 -3.8217 -3.8217 -3.7598 -3.7598 -3.5212 -3.5212 1.9337 1.9337 2.5708 2.5708 2.7763 2.7763 3.7310 3.7310 3.8373 3.8373 4.7091 4.7091 5.5497 5.5497 5.5838 5.5838 5.8570 5.8570 6.1447 6.1447 6.6930 6.6930 6.8159 6.8159 10.5682 10.5682 10.6122 10.6122 10.6954 10.6954 10.7701 10.7701 11.6883 11.6883 k = 0.0000 0.0000 1.2266 ( 7392 PWs) bands (ev): -19.6530 -19.6530 -19.6464 -19.6464 -6.4962 -6.4962 -6.4250 -6.4250 -5.2972 -5.2972 -4.9384 -4.9384 -4.6817 -4.6817 -4.4408 -4.4408 -4.2026 -4.2026 -3.8198 -3.8198 -3.7674 -3.7674 -3.5255 -3.5255 1.9198 1.9198 2.5625 2.5625 2.7676 2.7676 3.7334 3.7334 3.8361 3.8361 4.7111 4.7111 5.5512 5.5512 5.5859 5.5859 5.8551 5.8551 6.1445 6.1445 6.7023 6.7023 6.8312 6.8312 10.5798 10.5798 10.6286 10.6286 10.7021 10.7021 10.7999 10.7999 11.6475 11.6475 k = 0.0000 0.0000 1.2538 ( 7394 PWs) bands (ev): -19.6529 -19.6529 -19.6464 -19.6464 -6.4961 -6.4961 -6.4247 -6.4247 -5.2956 -5.2956 -4.9354 -4.9354 -4.6806 -4.6806 -4.4384 -4.4384 -4.2039 -4.2039 -3.8184 -3.8184 -3.7723 -3.7723 -3.5282 -3.5282 1.9114 1.9114 2.5576 2.5576 2.7623 2.7623 3.7347 3.7347 3.8355 3.8355 4.7124 4.7124 5.5519 5.5519 5.5874 5.5874 5.8540 5.8540 6.1444 6.1444 6.7082 6.7082 6.8405 6.8405 10.5851 10.5851 10.6386 10.6386 10.7080 10.7080 10.8188 10.8188 11.6220 11.6220 k = 0.0000 0.0000 1.2811 ( 7394 PWs) bands (ev): -19.6529 -19.6529 -19.6464 -19.6464 -6.4960 -6.4960 -6.4246 -6.4246 -5.2950 -5.2950 -4.9344 -4.9344 -4.6803 -4.6803 -4.4376 -4.4376 -4.2044 -4.2044 -3.8179 -3.8179 -3.7740 -3.7740 -3.5290 -3.5290 1.9085 1.9085 2.5559 2.5559 2.7606 2.7606 3.7351 3.7351 3.8353 3.8353 4.7128 4.7128 5.5521 5.5521 5.5880 5.5880 5.8537 5.8537 6.1443 6.1443 6.7101 6.7101 6.8436 6.8436 10.5866 10.5866 10.6420 10.6420 10.7102 10.7102 10.8252 10.8252 11.6133 11.6133 k = 0.0000 0.0000 1.2811 ( 7394 PWs) bands (ev): -19.6529 -19.6529 -19.6464 -19.6464 -6.4960 -6.4960 -6.4246 -6.4246 -5.2950 -5.2950 -4.9344 -4.9344 -4.6803 -4.6803 -4.4376 -4.4376 -4.2044 -4.2044 -3.8179 -3.8179 -3.7740 -3.7740 -3.5290 -3.5290 1.9085 1.9085 2.5559 2.5559 2.7606 2.7606 3.7351 3.7351 3.8353 3.8353 4.7128 4.7128 5.5521 5.5521 5.5880 5.5880 5.8537 5.8537 6.1443 6.1443 6.7101 6.7101 6.8436 6.8436 10.5866 10.5866 10.6420 10.6420 10.7102 10.7102 10.8252 10.8252 11.6133 11.6133 k =-0.0090 0.0212 1.2811 ( 7386 PWs) bands (ev): -19.6529 -19.6529 -19.6464 -19.6464 -6.4962 -6.4962 -6.4246 -6.4246 -5.2956 -5.2956 -4.9351 -4.9351 -4.6795 -4.6795 -4.4379 -4.4379 -4.2044 -4.2044 -3.8247 -3.8247 -3.7671 -3.7671 -3.5284 -3.5284 1.9109 1.9109 2.5569 2.5569 2.7619 2.7619 3.7355 3.7355 3.8352 3.8352 4.7127 4.7127 5.5500 5.5500 5.5867 5.5867 5.8567 5.8567 6.1424 6.1424 6.7100 6.7100 6.8415 6.8415 10.5882 10.5882 10.6366 10.6366 10.7067 10.7067 10.8227 10.8227 11.6172 11.6172 k =-0.0180 0.0424 1.2811 ( 7386 PWs) bands (ev): -19.6529 -19.6529 -19.6464 -19.6464 -6.4966 -6.4966 -6.4246 -6.4246 -5.2974 -5.2974 -4.9370 -4.9370 -4.6773 -4.6773 -4.4390 -4.4390 -4.2046 -4.2046 -3.8388 -3.8388 -3.7526 -3.7526 -3.5267 -3.5267 1.9178 1.9178 2.5599 2.5599 2.7656 2.7656 3.7363 3.7363 3.8349 3.8349 4.7125 4.7125 5.5433 5.5433 5.5839 5.5839 5.8653 5.8653 6.1366 6.1366 6.7098 6.7098 6.8350 6.8350 10.5929 10.5929 10.6206 10.6206 10.6964 10.6964 10.8153 10.8153 11.6282 11.6282 k =-0.0270 0.0636 1.2811 ( 7386 PWs) bands (ev): -19.6529 -19.6529 -19.6465 -19.6465 -6.4972 -6.4972 -6.4247 -6.4247 -5.3004 -5.3004 -4.9402 -4.9402 -4.6739 -4.6739 -4.4407 -4.4407 -4.2048 -4.2048 -3.8550 -3.8550 -3.7356 -3.7356 -3.5237 -3.5237 1.9294 1.9294 2.5650 2.5650 2.7719 2.7719 3.7378 3.7378 3.8343 3.8343 4.7122 4.7122 5.5311 5.5311 5.5813 5.5813 5.8785 5.8785 6.1271 6.1271 6.7094 6.7094 6.8243 6.8243 10.5942 10.5942 10.6010 10.6010 10.6802 10.6802 10.8029 10.8029 11.6444 11.6444 k =-0.0359 0.0848 1.2811 ( 7390 PWs) bands (ev): -19.6530 -19.6530 -19.6466 -19.6466 -6.4982 -6.4982 -6.4247 -6.4247 -5.3046 -5.3046 -4.9443 -4.9443 -4.6695 -4.6695 -4.4428 -4.4428 -4.2054 -4.2054 -3.8717 -3.8717 -3.7178 -3.7178 -3.5196 -3.5196 1.9455 1.9455 2.5721 2.5721 2.7806 2.7806 3.7398 3.7398 3.8337 3.8337 4.7118 4.7118 5.5139 5.5139 5.5800 5.5800 5.8951 5.8951 6.1140 6.1140 6.7089 6.7089 6.8096 6.8096 10.5592 10.5592 10.6117 10.6117 10.6587 10.6587 10.7858 10.7858 11.6627 11.6627 k =-0.0449 0.1060 1.2811 ( 7382 PWs) bands (ev): -19.6530 -19.6530 -19.6468 -19.6468 -6.4993 -6.4993 -6.4247 -6.4247 -5.3098 -5.3098 -4.9492 -4.9492 -4.6644 -4.6644 -4.4451 -4.4451 -4.2064 -4.2064 -3.8884 -3.8884 -3.6997 -3.6997 -3.5145 -3.5145 1.9660 1.9660 2.5813 2.5813 2.7918 2.7918 3.7421 3.7421 3.8331 3.8331 4.7112 4.7112 5.4929 5.4929 5.5796 5.5796 5.9138 5.9138 6.0978 6.0978 6.7080 6.7080 6.7910 6.7910 10.5165 10.5165 10.6252 10.6252 10.6324 10.6324 10.7640 10.7640 11.6802 11.6802 k =-0.0449 0.1060 1.2811 ( 7382 PWs) bands (ev): -19.6530 -19.6530 -19.6468 -19.6468 -6.4993 -6.4993 -6.4247 -6.4247 -5.3098 -5.3098 -4.9492 -4.9492 -4.6644 -4.6644 -4.4451 -4.4451 -4.2064 -4.2064 -3.8884 -3.8884 -3.6997 -3.6997 -3.5145 -3.5145 1.9660 1.9660 2.5813 2.5813 2.7918 2.7918 3.7421 3.7421 3.8331 3.8331 4.7112 4.7112 5.4929 5.4929 5.5796 5.5796 5.9138 5.9138 6.0978 6.0978 6.7080 6.7080 6.7910 6.7910 10.5165 10.5165 10.6252 10.6252 10.6324 10.6324 10.7640 10.7640 11.6802 11.6802 k =-0.0525 0.1239 1.2617 ( 7382 PWs) bands (ev): -19.6531 -19.6531 -19.6469 -19.6469 -6.5005 -6.5005 -6.4247 -6.4247 -5.3153 -5.3153 -4.9544 -4.9544 -4.6602 -4.6602 -4.4472 -4.4472 -4.2074 -4.2074 -3.9022 -3.9022 -3.6838 -3.6838 -3.5089 -3.5089 1.9877 1.9877 2.5915 2.5915 2.8043 2.8043 3.7436 3.7436 3.8333 3.8333 4.7105 4.7105 5.4734 5.4734 5.5793 5.5793 5.9309 5.9309 6.0818 6.0818 6.7060 6.7060 6.7710 6.7710 10.4724 10.4724 10.6034 10.6034 10.6409 10.6409 10.7421 10.7421 11.6949 11.6949 k =-0.0601 0.1418 1.2422 ( 7379 PWs) bands (ev): -19.6532 -19.6532 -19.6471 -19.6471 -6.5020 -6.5020 -6.4249 -6.4249 -5.3219 -5.3219 -4.9608 -4.9608 -4.6564 -4.6564 -4.4495 -4.4495 -4.2087 -4.2087 -3.9154 -3.9154 -3.6670 -3.6670 -3.5016 -3.5016 2.0140 2.0140 2.6049 2.6049 2.8212 2.8212 3.7434 3.7434 3.8353 3.8353 4.7092 4.7092 5.4531 5.4531 5.5782 5.5782 5.9486 5.9486 6.0644 6.0644 6.7014 6.7014 6.7456 6.7456 10.4180 10.4180 10.5705 10.5705 10.6579 10.6579 10.7185 10.7185 11.7097 11.7097 k =-0.0677 0.1597 1.2228 ( 7373 PWs) bands (ev): -19.6533 -19.6533 -19.6473 -19.6473 -6.5035 -6.5035 -6.4252 -6.4252 -5.3297 -5.3297 -4.9685 -4.9685 -4.6535 -4.6535 -4.4517 -4.4517 -4.2104 -4.2104 -3.9278 -3.9278 -3.6493 -3.6493 -3.4929 -3.4929 2.0440 2.0440 2.6214 2.6214 2.8432 2.8432 3.7404 3.7404 3.8400 3.8400 4.7075 4.7075 5.4325 5.4325 5.5762 5.5762 5.9663 5.9663 6.0461 6.0461 6.6924 6.6924 6.7165 6.7165 10.3546 10.3546 10.5342 10.5342 10.6762 10.6762 10.6952 10.6952 11.7226 11.7226 k =-0.0753 0.1775 1.2034 ( 7367 PWs) bands (ev): -19.6534 -19.6534 -19.6475 -19.6475 -6.5053 -6.5053 -6.4257 -6.4257 -5.3384 -5.3384 -4.9772 -4.9772 -4.6516 -4.6516 -4.4533 -4.4533 -4.2127 -4.2127 -3.9393 -3.9393 -3.6309 -3.6309 -3.4827 -3.4827 2.0766 2.0766 2.6410 2.6410 2.8709 2.8709 3.7343 3.7343 3.8479 3.8479 4.7053 4.7053 5.4120 5.4120 5.5731 5.5731 5.9820 5.9820 6.0292 6.0292 6.6687 6.6687 6.6941 6.6941 10.2838 10.2838 10.4958 10.4958 10.6688 10.6688 10.6997 10.6997 11.7324 11.7324 k =-0.0828 0.1954 1.1839 ( 7361 PWs) bands (ev): -19.6536 -19.6536 -19.6478 -19.6478 -6.5073 -6.5073 -6.4264 -6.4264 -5.3480 -5.3480 -4.9868 -4.9868 -4.6507 -4.6507 -4.4543 -4.4543 -4.2157 -4.2157 -3.9499 -3.9499 -3.6118 -3.6118 -3.4711 -3.4711 2.1105 2.1105 2.6638 2.6638 2.9052 2.9052 3.7249 3.7249 3.8590 3.8590 4.7026 4.7026 5.3917 5.3917 5.5689 5.5689 5.9865 5.9865 6.0230 6.0230 6.6283 6.6283 6.6807 6.6807 10.2073 10.2073 10.4563 10.4563 10.6452 10.6452 10.7228 10.7228 11.7389 11.7389 k =-0.0904 0.2133 1.1645 ( 7363 PWs) bands (ev): -19.6538 -19.6538 -19.6480 -19.6480 -6.5094 -6.5094 -6.4273 -6.4273 -5.3584 -5.3584 -4.9972 -4.9972 -4.6510 -4.6510 -4.4544 -4.4544 -4.2196 -4.2196 -3.9593 -3.9593 -3.5922 -3.5922 -3.4583 -3.4583 2.1445 2.1445 2.6897 2.6897 2.9468 2.9468 3.7127 3.7127 3.8731 3.8731 4.6995 4.6995 5.3720 5.3720 5.5633 5.5633 5.9725 5.9725 6.0351 6.0351 6.5805 6.5805 6.6671 6.6671 10.1265 10.1265 10.4166 10.4166 10.6214 10.6214 10.7485 10.7485 11.7425 11.7425 k =-0.0980 0.2312 1.1451 ( 7359 PWs) bands (ev): -19.6540 -19.6540 -19.6483 -19.6483 -6.5117 -6.5117 -6.4284 -6.4284 -5.3694 -5.3694 -5.0082 -5.0082 -4.6522 -4.6522 -4.4536 -4.4536 -4.2244 -4.2244 -3.9675 -3.9675 -3.5722 -3.5722 -3.4443 -3.4443 2.1774 2.1774 2.7186 2.7186 2.9964 2.9964 3.6980 3.6980 3.8898 3.8898 4.6959 4.6959 5.3529 5.3529 5.5564 5.5564 5.9530 5.9530 6.0529 6.0529 6.5273 6.5273 6.6519 6.6519 10.0428 10.0428 10.3777 10.3777 10.5976 10.5976 10.7764 10.7764 11.7436 11.7436 k =-0.1056 0.2491 1.1256 ( 7359 PWs) bands (ev): -19.6543 -19.6543 -19.6486 -19.6486 -6.5141 -6.5141 -6.4297 -6.4297 -5.3809 -5.3809 -5.0197 -5.0197 -4.6543 -4.6543 -4.4523 -4.4523 -4.2299 -4.2299 -3.9746 -3.9746 -3.5519 -3.5519 -3.4293 -3.4293 2.2082 2.2082 2.7506 2.7506 3.0542 3.0542 3.6812 3.6812 3.9088 3.9088 4.6919 4.6919 5.3346 5.3346 5.5480 5.5480 5.9328 5.9328 6.0720 6.0720 6.4691 6.4691 6.6348 6.6348 9.9573 9.9573 10.3402 10.3402 10.5742 10.5742 10.8064 10.8064 11.7430 11.7430 k =-0.1132 0.2670 1.1062 ( 7365 PWs) bands (ev): -19.6545 -19.6545 -19.6489 -19.6489 -6.5166 -6.5166 -6.4313 -6.4313 -5.3928 -5.3928 -5.0317 -5.0317 -4.6569 -4.6569 -4.4504 -4.4504 -4.2362 -4.2362 -3.9804 -3.9804 -3.5315 -3.5315 -3.4134 -3.4134 2.2363 2.2363 2.7856 2.7856 3.1204 3.1204 3.6626 3.6626 3.9298 3.9298 4.6876 4.6876 5.3171 5.3171 5.5379 5.5379 5.9132 5.9132 6.0915 6.0915 6.4064 6.4064 6.6159 6.6159 9.8709 9.8709 10.3047 10.3047 10.5510 10.5510 10.8386 10.8386 11.7412 11.7412 k =-0.1208 0.2849 1.0868 ( 7359 PWs) bands (ev): -19.6548 -19.6548 -19.6493 -19.6493 -6.5193 -6.5193 -6.4331 -6.4331 -5.4051 -5.4051 -5.0439 -5.0439 -4.6599 -4.6599 -4.4484 -4.4484 -4.2428 -4.2428 -3.9851 -3.9851 -3.5111 -3.5111 -3.3967 -3.3967 2.2613 2.2613 2.8235 2.8235 3.1945 3.1945 3.6424 3.6424 3.9527 3.9527 4.6828 4.6828 5.3004 5.3004 5.5261 5.5261 5.8948 5.8948 6.1109 6.1109 6.3398 6.3398 6.5953 6.5953 9.7845 9.7845 10.2717 10.2717 10.5283 10.5283 10.8726 10.8726 11.7386 11.7386 k =-0.1284 0.3028 1.0673 ( 7355 PWs) bands (ev): -19.6551 -19.6551 -19.6496 -19.6496 -6.5222 -6.5222 -6.4351 -6.4351 -5.4176 -5.4176 -5.0563 -5.0563 -4.6630 -4.6630 -4.4465 -4.4465 -4.2496 -4.2496 -3.9887 -3.9887 -3.4908 -3.4908 -3.3795 -3.3795 2.2831 2.2831 2.8643 2.8643 3.2760 3.2760 3.6210 3.6210 3.9772 3.9772 4.6777 4.6777 5.2846 5.2846 5.5125 5.5125 5.8781 5.8781 6.1303 6.1303 6.2700 6.2700 6.5730 6.5730 9.6986 9.6986 10.2417 10.2417 10.5061 10.5061 10.9084 10.9084 11.7356 11.7356 k =-0.1359 0.3207 1.0479 ( 7369 PWs) bands (ev): -19.6554 -19.6554 -19.6499 -19.6499 -6.5251 -6.5251 -6.4374 -6.4374 -5.4301 -5.4301 -5.0686 -5.0686 -4.6660 -4.6660 -4.4450 -4.4450 -4.2562 -4.2562 -3.9915 -3.9915 -3.4708 -3.4708 -3.3619 -3.3619 2.3018 2.3018 2.9080 2.9080 3.3638 3.3638 3.5986 3.5986 4.0033 4.0033 4.6721 4.6721 5.2697 5.2697 5.4973 5.4973 5.8629 5.8629 6.1489 6.1489 6.1982 6.1982 6.5494 6.5494 9.6140 9.6140 10.2149 10.2149 10.4845 10.4845 10.9457 10.9457 11.7325 11.7325 k =-0.1435 0.3386 1.0285 ( 7373 PWs) bands (ev): -19.6557 -19.6557 -19.6503 -19.6503 -6.5282 -6.5282 -6.4398 -6.4398 -5.4426 -5.4426 -5.0809 -5.0809 -4.6687 -4.6687 -4.4443 -4.4443 -4.2623 -4.2623 -3.9935 -3.9935 -3.4511 -3.4511 -3.3441 -3.3441 2.3179 2.3179 2.9543 2.9543 3.4567 3.4567 3.5754 3.5754 4.0306 4.0306 4.6662 4.6662 5.2555 5.2555 5.4805 5.4805 5.8489 5.8489 6.1231 6.1231 6.1697 6.1697 6.5246 6.5246 9.5311 9.5311 10.1914 10.1914 10.4637 10.4637 10.9841 10.9841 11.7295 11.7295 k =-0.1511 0.3565 1.0090 ( 7375 PWs) bands (ev): -19.6560 -19.6560 -19.6506 -19.6506 -6.5313 -6.5313 -6.4424 -6.4424 -5.4550 -5.4550 -5.0930 -5.0930 -4.6711 -4.6711 -4.4443 -4.4443 -4.2676 -4.2676 -3.9948 -3.9948 -3.4319 -3.4319 -3.3262 -3.3262 2.3315 2.3315 3.0033 3.0033 3.5512 3.5512 3.5540 3.5540 4.0591 4.0591 4.6598 4.6598 5.2421 5.2421 5.4623 5.4623 5.8341 5.8341 6.0522 6.0522 6.1876 6.1876 6.4988 6.4988 9.4507 9.4507 10.1713 10.1713 10.4437 10.4437 11.0230 11.0230 11.7268 11.7268 k =-0.1587 0.3744 0.9896 ( 7362 PWs) bands (ev): -19.6563 -19.6563 -19.6510 -19.6510 -6.5346 -6.5346 -6.4450 -6.4450 -5.4672 -5.4672 -5.1048 -5.1048 -4.6730 -4.6730 -4.4454 -4.4454 -4.2720 -4.2720 -3.9957 -3.9957 -3.4134 -3.4134 -3.3084 -3.3084 2.3430 2.3430 3.0549 3.0549 3.5279 3.5279 3.6525 3.6525 4.0886 4.0886 4.6529 4.6529 5.2294 5.2294 5.4430 5.4430 5.8136 5.8136 5.9886 5.9886 6.2054 6.2054 6.4723 6.4723 9.3730 9.3730 10.1546 10.1546 10.4246 10.4246 11.0618 11.0618 11.7245 11.7245 k =-0.1663 0.3923 0.9702 ( 7360 PWs) bands (ev): -19.6566 -19.6566 -19.6513 -19.6513 -6.5379 -6.5379 -6.4478 -6.4478 -5.4791 -5.4791 -5.1162 -5.1162 -4.6744 -4.6744 -4.4474 -4.4474 -4.2753 -4.2753 -3.9962 -3.9962 -3.3955 -3.3955 -3.2909 -3.2909 2.3527 2.3527 3.1089 3.1089 3.5040 3.5040 3.7525 3.7525 4.1189 4.1189 4.6455 4.6455 5.2173 5.2173 5.4230 5.4230 5.7774 5.7774 5.9432 5.9432 6.2225 6.2225 6.4457 6.4457 9.2985 9.2985 10.1413 10.1413 10.4064 10.4064 11.0996 11.0996 11.7222 11.7222 k =-0.1739 0.4101 0.9507 ( 7357 PWs) bands (ev): -19.6569 -19.6569 -19.6516 -19.6516 -6.5412 -6.5412 -6.4506 -6.4506 -5.4905 -5.4905 -5.1271 -5.1271 -4.6753 -4.6753 -4.4504 -4.4504 -4.2776 -4.2776 -3.9964 -3.9964 -3.3784 -3.3784 -3.2739 -3.2739 2.3610 2.3610 3.1652 3.1652 3.4805 3.4805 3.8519 3.8519 4.1497 4.1497 4.6375 4.6375 5.2057 5.2057 5.4024 5.4024 5.7200 5.7200 5.9227 5.9227 6.2384 6.2384 6.4194 6.4194 9.2276 9.2276 10.1313 10.1313 10.3893 10.3893 11.1352 11.1352 11.7175 11.7175 k =-0.1814 0.4280 0.9313 ( 7361 PWs) bands (ev): -19.6571 -19.6571 -19.6519 -19.6519 -6.5446 -6.5446 -6.4534 -6.4534 -5.5015 -5.5015 -5.1375 -5.1375 -4.6758 -4.6758 -4.4540 -4.4540 -4.2790 -4.2790 -3.9964 -3.9964 -3.3622 -3.3622 -3.2575 -3.2575 2.3679 2.3679 3.2237 3.2237 3.4575 3.4575 3.9490 3.9490 4.1808 4.1808 4.6287 4.6287 5.1946 5.1946 5.3817 5.3817 5.6489 5.6489 5.9205 5.9205 6.2524 6.2524 6.3943 6.3943 9.1607 9.1607 10.1243 10.1243 10.3733 10.3733 11.1670 11.1670 11.6783 11.6783 k =-0.1890 0.4459 0.9119 ( 7354 PWs) bands (ev): -19.6574 -19.6574 -19.6522 -19.6522 -6.5479 -6.5479 -6.4561 -6.4561 -5.5119 -5.5119 -5.1472 -5.1472 -4.6759 -4.6759 -4.4581 -4.4581 -4.2797 -4.2797 -3.9962 -3.9962 -3.3469 -3.3469 -3.2418 -3.2418 2.3738 2.3738 3.2840 3.2840 3.4354 3.4354 4.0423 4.0423 4.2120 4.2120 4.6189 4.6189 5.1839 5.1839 5.3609 5.3609 5.5724 5.5724 5.9295 5.9295 6.2629 6.2629 6.3723 6.3723 9.0980 9.0980 10.1202 10.1202 10.3584 10.3584 11.1928 11.1928 11.6066 11.6066 k =-0.1966 0.4638 0.8924 ( 7351 PWs) bands (ev): -19.6577 -19.6577 -19.6525 -19.6525 -6.5512 -6.5512 -6.4587 -6.4587 -5.5216 -5.5216 -5.1562 -5.1562 -4.6756 -4.6756 -4.4625 -4.4625 -4.2797 -4.2797 -3.9960 -3.9960 -3.3327 -3.3327 -3.2270 -3.2270 2.3788 2.3788 3.3458 3.3458 3.4147 3.4147 4.1301 4.1301 4.2432 4.2432 4.6081 4.6081 5.1736 5.1736 5.3398 5.3398 5.4954 5.4954 5.9461 5.9461 6.2672 6.2672 6.3562 6.3562 9.0399 9.0399 10.1187 10.1187 10.3448 10.3448 11.2095 11.2095 11.5264 11.5264 k =-0.2042 0.4817 0.8730 ( 7349 PWs) bands (ev): -19.6579 -19.6579 -19.6528 -19.6528 -6.5543 -6.5543 -6.4612 -6.4612 -5.5306 -5.5306 -5.1645 -5.1645 -4.6751 -4.6751 -4.4669 -4.4669 -4.2794 -4.2794 -3.9957 -3.9957 -3.3195 -3.3195 -3.2133 -3.2133 2.3830 2.3830 3.3914 3.3914 3.4127 3.4127 4.2103 4.2103 4.2744 4.2744 4.5959 4.5959 5.1636 5.1636 5.3170 5.3170 5.4221 5.4221 5.9684 5.9684 6.2621 6.2621 6.3497 6.3497 8.9866 8.9866 10.1194 10.1194 10.3324 10.3324 11.2113 11.2113 11.4450 11.4450 k =-0.2118 0.4996 0.8536 ( 7351 PWs) bands (ev): -19.6581 -19.6581 -19.6530 -19.6530 -6.5573 -6.5573 -6.4636 -6.4636 -5.5389 -5.5389 -5.1720 -5.1720 -4.6744 -4.6744 -4.4711 -4.4711 -4.2788 -4.2788 -3.9954 -3.9954 -3.3076 -3.3076 -3.2007 -3.2007 2.3865 2.3865 3.3751 3.3751 3.4749 3.4749 4.2781 4.2781 4.3088 4.3088 4.5823 4.5823 5.1540 5.1540 5.2874 5.2874 5.3599 5.3599 5.9952 5.9952 6.2486 6.2486 6.3519 6.3519 8.9383 8.9383 10.1221 10.1221 10.3212 10.3212 11.1868 11.1868 11.3768 11.3768 k =-0.2194 0.5175 0.8341 ( 7355 PWs) bands (ev): -19.6583 -19.6583 -19.6533 -19.6533 -6.5602 -6.5602 -6.4657 -6.4657 -5.5462 -5.5462 -5.1787 -5.1787 -4.6736 -4.6736 -4.4750 -4.4750 -4.2781 -4.2781 -3.9950 -3.9950 -3.2969 -3.2969 -3.1893 -3.1893 2.3895 2.3895 3.3586 3.3586 3.5393 3.5393 4.3206 4.3206 4.3570 4.3570 4.5677 4.5677 5.1446 5.1446 5.2416 5.2416 5.3201 5.3201 6.0250 6.0250 6.2314 6.2314 6.3586 6.3586 8.8952 8.8952 10.1264 10.1264 10.3114 10.3114 11.1269 11.1269 11.3355 11.3355 k =-0.2270 0.5354 0.8147 ( 7363 PWs) bands (ev): -19.6585 -19.6585 -19.6534 -19.6534 -6.5627 -6.5627 -6.4675 -6.4675 -5.5527 -5.5527 -5.1845 -5.1845 -4.6728 -4.6728 -4.4785 -4.4785 -4.2774 -4.2774 -3.9947 -3.9947 -3.2875 -3.2875 -3.1793 -3.1793 2.3919 2.3919 3.3438 3.3438 3.6033 3.6033 4.3484 4.3484 4.4054 4.4054 4.5537 4.5537 5.1351 5.1351 5.1869 5.1869 5.2978 5.2978 6.0563 6.0563 6.2139 6.2139 6.3667 6.3667 8.8576 8.8576 10.1319 10.1319 10.3029 10.3029 11.0448 11.0448 11.3136 11.3136 k =-0.2345 0.5533 0.7953 ( 7361 PWs) bands (ev): -19.6587 -19.6587 -19.6536 -19.6536 -6.5650 -6.5650 -6.4692 -6.4692 -5.5583 -5.5583 -5.1895 -5.1895 -4.6720 -4.6720 -4.4815 -4.4815 -4.2767 -4.2767 -3.9944 -3.9944 -3.2794 -3.2794 -3.1706 -3.1706 2.3939 2.3939 3.3310 3.3310 3.6656 3.6656 4.3712 4.3712 4.4377 4.4377 4.5457 4.5457 5.1199 5.1199 5.1410 5.1410 5.2827 5.2827 6.0869 6.0869 6.1982 6.1982 6.3747 6.3747 8.8254 8.8254 10.1381 10.1381 10.2958 10.2958 10.9587 10.9587 11.2990 11.2990 k =-0.2421 0.5712 0.7758 ( 7370 PWs) bands (ev): -19.6588 -19.6588 -19.6538 -19.6538 -6.5669 -6.5669 -6.4705 -6.4705 -5.5629 -5.5629 -5.1936 -5.1936 -4.6713 -4.6713 -4.4840 -4.4840 -4.2761 -4.2761 -3.9942 -3.9942 -3.2728 -3.2728 -3.1635 -3.1635 2.3955 2.3955 3.3203 3.3203 3.7244 3.7244 4.3895 4.3895 4.4454 4.4454 4.5520 4.5520 5.0825 5.0825 5.1256 5.1256 5.2714 5.2714 6.1137 6.1137 6.1865 6.1865 6.3820 6.3820 8.7990 8.7990 10.1446 10.1446 10.2900 10.2900 10.8791 10.8791 11.2870 11.2870 k =-0.2497 0.5891 0.7564 ( 7378 PWs) bands (ev): -19.6589 -19.6589 -19.6539 -19.6539 -6.5684 -6.5684 -6.4716 -6.4716 -5.5665 -5.5665 -5.1968 -5.1968 -4.6708 -4.6708 -4.4859 -4.4859 -4.2756 -4.2756 -3.9939 -3.9939 -3.2676 -3.2676 -3.1579 -3.1579 2.3967 2.3967 3.3119 3.3119 3.7773 3.7773 4.4008 4.4008 4.4365 4.4365 4.5683 4.5683 5.0470 5.0470 5.1188 5.1188 5.2629 5.2629 6.1322 6.1322 6.1819 6.1819 6.3879 6.3879 8.7783 8.7783 10.1507 10.1507 10.2856 10.2856 10.8118 10.8118 11.2770 11.2770 k =-0.2573 0.6070 0.7370 ( 7378 PWs) bands (ev): -19.6590 -19.6590 -19.6539 -19.6539 -6.5696 -6.5696 -6.4724 -6.4724 -5.5691 -5.5691 -5.1991 -5.1991 -4.6703 -4.6703 -4.4873 -4.4873 -4.2753 -4.2753 -3.9938 -3.9938 -3.2638 -3.2638 -3.1538 -3.1538 2.3975 2.3975 3.3058 3.3058 3.8205 3.8205 4.3975 4.3975 4.4320 4.4320 4.5840 4.5840 5.0210 5.0210 5.1143 5.1143 5.2569 5.2569 6.1386 6.1386 6.1866 6.1866 6.3924 6.3924 8.7634 8.7634 10.1558 10.1558 10.2825 10.2825 10.7608 10.7608 11.2692 11.2692 k =-0.2649 0.6248 0.7175 ( 7380 PWs) bands (ev): -19.6590 -19.6590 -19.6540 -19.6540 -6.5702 -6.5702 -6.4728 -6.4728 -5.5707 -5.5707 -5.2005 -5.2005 -4.6701 -4.6701 -4.4881 -4.4881 -4.2751 -4.2751 -3.9937 -3.9937 -3.2616 -3.2616 -3.1514 -3.1514 2.3980 2.3980 3.3021 3.3021 3.8495 3.8495 4.3860 4.3860 4.4348 4.4348 4.5944 4.5944 5.0053 5.0053 5.1115 5.1115 5.2534 5.2534 6.1385 6.1385 6.1939 6.1939 6.3951 6.3951 8.7545 8.7545 10.1593 10.1593 10.2806 10.2806 10.7290 10.7290 11.2643 11.2643 k =-0.2725 0.6427 0.6981 ( 7382 PWs) bands (ev): -19.6590 -19.6590 -19.6540 -19.6540 -6.5705 -6.5705 -6.4730 -6.4730 -5.5712 -5.5712 -5.2010 -5.2010 -4.6700 -4.6700 -4.4884 -4.4884 -4.2750 -4.2750 -3.9937 -3.9937 -3.2608 -3.2608 -3.1506 -3.1506 2.3981 2.3981 3.3009 3.3009 3.8599 3.8599 4.3807 4.3807 4.4364 4.4364 4.5980 4.5980 5.0000 5.0000 5.1106 5.1106 5.2522 5.2522 6.1380 6.1380 6.1970 6.1970 6.3960 6.3960 8.7515 8.7515 10.1605 10.1605 10.2800 10.2800 10.7181 10.7181 11.2626 11.2626 k =-0.2725 0.6427 0.6981 ( 7382 PWs) bands (ev): -19.6590 -19.6590 -19.6540 -19.6540 -6.5705 -6.5705 -6.4730 -6.4730 -5.5712 -5.5712 -5.2010 -5.2010 -4.6700 -4.6700 -4.4884 -4.4884 -4.2750 -4.2750 -3.9937 -3.9937 -3.2608 -3.2608 -3.1506 -3.1506 2.3981 2.3981 3.3009 3.3009 3.8599 3.8599 4.3807 4.3807 4.4364 4.4364 4.5980 4.5980 5.0000 5.0000 5.1106 5.1106 5.2522 5.2522 6.1380 6.1380 6.1970 6.1970 6.3960 6.3960 8.7515 8.7515 10.1605 10.1605 10.2800 10.2800 10.7181 10.7181 11.2626 11.2626 k =-0.2649 0.6249 0.6787 ( 7372 PWs) bands (ev): -19.6593 -19.6593 -19.6536 -19.6536 -6.5655 -6.5655 -6.4776 -6.4776 -5.5706 -5.5706 -5.2037 -5.2037 -4.6707 -4.6707 -4.4917 -4.4917 -4.2729 -4.2729 -3.9904 -3.9904 -3.2531 -3.2531 -3.1467 -3.1467 2.3766 2.3766 3.2865 3.2865 3.8587 3.8587 4.3700 4.3700 4.4350 4.4350 4.5918 4.5918 5.0009 5.0009 5.1037 5.1037 5.2460 5.2460 6.1566 6.1566 6.2058 6.2058 6.3785 6.3785 8.7396 8.7396 10.1948 10.1948 10.3031 10.3031 10.7120 10.7120 11.3067 11.3067 k =-0.2573 0.6070 0.6593 ( 7372 PWs) bands (ev): -19.6595 -19.6595 -19.6532 -19.6532 -6.5602 -6.5602 -6.4820 -6.4820 -5.5719 -5.5719 -5.2048 -5.2048 -4.6715 -4.6715 -4.4949 -4.4949 -4.2707 -4.2707 -3.9882 -3.9882 -3.2467 -3.2467 -3.1445 -3.1445 2.3627 2.3627 3.2756 3.2756 3.8575 3.8575 4.3611 4.3611 4.4347 4.4347 4.5893 4.5893 5.0028 5.0028 5.0989 5.0989 5.2436 5.2436 6.1693 6.1693 6.2219 6.2219 6.3614 6.3614 8.7264 8.7264 10.2156 10.2156 10.3106 10.3106 10.7034 10.7034 11.3509 11.3509 k =-0.2498 0.5892 0.6399 ( 7368 PWs) bands (ev): -19.6598 -19.6598 -19.6529 -19.6529 -6.5546 -6.5546 -6.4862 -6.4862 -5.5751 -5.5751 -5.2043 -5.2043 -4.6721 -4.6721 -4.4981 -4.4981 -4.2686 -4.2686 -3.9870 -3.9870 -3.2416 -3.2416 -3.1439 -3.1439 2.3564 2.3564 3.2682 3.2682 3.8563 3.8563 4.3540 4.3540 4.4355 4.4355 4.5907 4.5907 5.0057 5.0057 5.0962 5.0962 5.2448 5.2448 6.1779 6.1779 6.2435 6.2435 6.3448 6.3448 8.7119 8.7119 10.2224 10.2224 10.3024 10.3024 10.6927 10.6927 11.3950 11.3950 k =-0.2422 0.5713 0.6205 ( 7366 PWs) bands (ev): -19.6602 -19.6602 -19.6526 -19.6526 -6.5489 -6.5489 -6.4901 -6.4901 -5.5800 -5.5800 -5.2023 -5.2023 -4.6726 -4.6726 -4.5016 -4.5016 -4.2666 -4.2666 -3.9869 -3.9869 -3.2380 -3.2380 -3.1448 -3.1448 2.3579 2.3579 3.2642 3.2642 3.8550 3.8550 4.3488 4.3488 4.4372 4.4372 4.5958 4.5958 5.0097 5.0097 5.0956 5.0956 5.2498 5.2498 6.1853 6.1853 6.2673 6.2673 6.3291 6.3291 8.6963 8.6963 10.2145 10.2145 10.2794 10.2794 10.6801 10.6801 11.4388 11.4388 k =-0.2346 0.5535 0.6011 ( 7352 PWs) bands (ev): -19.6606 -19.6606 -19.6523 -19.6523 -6.5433 -6.5433 -6.4935 -6.4935 -5.5866 -5.5866 -5.1988 -5.1988 -4.6729 -4.6729 -4.5053 -4.5053 -4.2646 -4.2646 -3.9876 -3.9876 -3.2357 -3.2357 -3.1474 -3.1474 2.3670 2.3670 3.2638 3.2638 3.8538 3.8538 4.3457 4.3457 4.4399 4.4399 4.6047 4.6047 5.0146 5.0146 5.0971 5.0971 5.2584 5.2584 6.1928 6.1928 6.2906 6.2906 6.3156 6.3156 8.6796 8.6796 10.1910 10.1910 10.2434 10.2434 10.6655 10.6655 11.4818 11.4818 k =-0.2271 0.5356 0.5818 ( 7348 PWs) bands (ev): -19.6610 -19.6610 -19.6521 -19.6521 -6.5382 -6.5382 -6.4959 -6.4959 -5.5945 -5.5945 -5.1941 -5.1941 -4.6729 -4.6729 -4.5096 -4.5096 -4.2627 -4.2627 -3.9891 -3.9891 -3.2350 -3.2350 -3.1515 -3.1515 2.3836 2.3836 3.2667 3.2667 3.8526 3.8526 4.3445 4.3445 4.4436 4.4436 4.6174 4.6174 5.0206 5.0206 5.1006 5.1006 5.2708 5.2708 6.2009 6.2009 6.2945 6.2945 6.3228 6.3228 8.6619 8.6619 10.1509 10.1509 10.1972 10.1972 10.6493 10.6493 11.5231 11.5231 k =-0.2195 0.5178 0.5624 ( 7356 PWs) bands (ev): -19.6614 -19.6614 -19.6519 -19.6519 -6.5343 -6.5343 -6.4967 -6.4967 -5.6037 -5.6037 -5.1882 -5.1882 -4.6725 -4.6725 -4.5146 -4.5146 -4.2610 -4.2610 -3.9911 -3.9911 -3.2357 -3.2357 -3.1570 -3.1570 2.4077 2.4077 3.2731 3.2731 3.8515 3.8515 4.3453 4.3453 4.4482 4.4482 4.6338 4.6338 5.0278 5.0278 5.1062 5.1062 5.2868 5.2868 6.2094 6.2094 6.2824 6.2824 6.3472 6.3472 8.6433 8.6433 10.0942 10.0942 10.1430 10.1430 10.6314 10.6314 11.5612 11.5612 k =-0.2119 0.4999 0.5430 ( 7356 PWs) bands (ev): -19.6619 -19.6619 -19.6517 -19.6517 -6.5325 -6.5325 -6.4951 -6.4951 -5.6138 -5.6138 -5.1813 -5.1813 -4.6717 -4.6717 -4.5202 -4.5202 -4.2593 -4.2593 -3.9937 -3.9937 -3.2379 -3.2379 -3.1640 -3.1640 2.4387 2.4387 3.2827 3.2827 3.8505 3.8505 4.3479 4.3479 4.4537 4.4537 4.6537 4.6537 5.0364 5.0364 5.1137 5.1137 5.3064 5.3064 6.2175 6.2175 6.2711 6.2711 6.3729 6.3729 8.6239 8.6239 10.0236 10.0236 10.0808 10.0808 10.6121 10.6121 11.5926 11.5926 k =-0.2043 0.4821 0.5236 ( 7352 PWs) bands (ev): -19.6624 -19.6624 -19.6515 -19.6515 -6.5331 -6.5331 -6.4907 -6.4907 -5.6247 -5.6247 -5.1735 -5.1735 -4.6705 -4.6705 -4.5267 -4.5267 -4.2578 -4.2578 -3.9967 -3.9967 -3.2416 -3.2416 -3.1724 -3.1724 2.4765 2.4765 3.2956 3.2956 3.8497 3.8497 4.3523 4.3523 4.4602 4.4602 4.6773 4.6773 5.0465 5.0465 5.1232 5.1232 5.3295 5.3295 6.2221 6.2221 6.2646 6.2646 6.3988 6.3988 8.6038 8.6038 9.9427 9.9427 10.0098 10.0098 10.5912 10.5912 11.6088 11.6088 k =-0.1968 0.4642 0.5042 ( 7354 PWs) bands (ev): -19.6629 -19.6629 -19.6514 -19.6514 -6.5357 -6.5357 -6.4842 -6.4842 -5.6362 -5.6362 -5.1650 -5.1650 -4.6689 -4.6689 -4.5340 -4.5340 -4.2564 -4.2564 -3.9999 -3.9999 -3.2467 -3.2467 -3.1820 -3.1820 2.5206 2.5206 3.3116 3.3116 3.8491 3.8491 4.3583 4.3583 4.4675 4.4675 4.7044 4.7044 5.0585 5.0585 5.1345 5.1345 5.3562 5.3562 6.2189 6.2189 6.2672 6.2672 6.4247 6.4247 8.5831 8.5831 9.8544 9.8544 9.9299 9.9299 10.5690 10.5690 11.5922 11.5922 k =-0.1892 0.4463 0.4848 ( 7348 PWs) bands (ev): -19.6635 -19.6635 -19.6513 -19.6513 -6.5395 -6.5395 -6.4762 -6.4762 -5.6480 -5.6480 -5.1559 -5.1559 -4.6668 -4.6668 -4.5421 -4.5421 -4.2552 -4.2552 -4.0033 -4.0033 -3.2533 -3.2533 -3.1927 -3.1927 2.5704 2.5704 3.3305 3.3305 3.8488 3.8488 4.3656 4.3656 4.4757 4.4757 4.7348 4.7348 5.0725 5.0725 5.1476 5.1476 5.3864 5.3864 6.2092 6.2092 6.2777 6.2777 6.4505 6.4505 8.5621 8.5621 9.7606 9.7606 9.8417 9.8417 10.5455 10.5455 11.5358 11.5358 k =-0.1816 0.4285 0.4654 ( 7356 PWs) bands (ev): -19.6640 -19.6640 -19.6513 -19.6513 -6.5441 -6.5441 -6.4673 -6.4673 -5.6600 -5.6600 -5.1463 -5.1463 -4.6643 -4.6643 -4.5507 -4.5507 -4.2541 -4.2541 -4.0070 -4.0070 -3.2614 -3.2614 -3.2044 -3.2044 2.6255 2.6255 3.3523 3.3523 3.8487 3.8487 4.3741 4.3741 4.4848 4.4848 4.7686 4.7686 5.0889 5.0889 5.1623 5.1623 5.4201 5.4201 6.1965 6.1965 6.2923 6.2923 6.4761 6.4761 8.5407 8.5407 9.6629 9.6629 9.7460 9.7460 10.5207 10.5207 11.4571 11.4571 k =-0.1741 0.4106 0.4460 ( 7364 PWs) bands (ev): -19.6646 -19.6646 -19.6513 -19.6513 -6.5493 -6.5493 -6.4577 -6.4577 -5.6720 -5.6720 -5.1361 -5.1361 -4.6614 -4.6614 -4.5598 -4.5598 -4.2532 -4.2532 -4.0109 -4.0109 -3.2709 -3.2709 -3.2169 -3.2169 2.6851 2.6851 3.3768 3.3768 3.8488 3.8488 4.3835 4.3835 4.4949 4.4949 4.8057 4.8057 5.1079 5.1079 5.1787 5.1787 5.4573 5.4573 6.1825 6.1825 6.3092 6.3092 6.5015 6.5015 8.5191 8.5191 9.5628 9.5628 9.6439 9.6439 10.4947 10.4947 11.3693 11.3693 k =-0.1665 0.3928 0.4266 ( 7356 PWs) bands (ev): -19.6652 -19.6652 -19.6513 -19.6513 -6.5550 -6.5550 -6.4478 -6.4478 -5.6839 -5.6839 -5.1257 -5.1257 -4.6583 -4.6583 -4.5689 -4.5689 -4.2524 -4.2524 -4.0151 -4.0151 -3.2818 -3.2818 -3.2299 -3.2299 2.7486 2.7486 3.4037 3.4037 3.8493 3.8493 4.3935 4.3935 4.5059 4.5059 4.8459 4.8459 5.1298 5.1298 5.1965 5.1965 5.4980 5.4980 6.1676 6.1676 6.3277 6.3277 6.5266 6.5266 8.4975 8.4975 9.4613 9.4613 9.5364 9.5364 10.4676 10.4676 11.2779 11.2779 k =-0.1589 0.3749 0.4072 ( 7356 PWs) bands (ev): -19.6658 -19.6658 -19.6513 -19.6513 -6.5611 -6.5611 -6.4375 -6.4375 -5.6956 -5.6956 -5.1149 -5.1149 -4.6553 -4.6553 -4.5775 -4.5775 -4.2519 -4.2519 -4.0198 -4.0198 -3.2941 -3.2941 -3.2432 -3.2432 2.8154 2.8154 3.4328 3.4328 3.8501 3.8501 4.4037 4.4037 4.5179 4.5179 4.8892 4.8892 5.1550 5.1550 5.2157 5.2157 5.5422 5.5422 6.1518 6.1518 6.3477 6.3477 6.5514 6.5514 8.4759 8.4759 9.3591 9.3591 9.4246 9.4246 10.4393 10.4393 11.1852 11.1852 k =-0.1514 0.3571 0.3878 ( 7352 PWs) bands (ev): -19.6664 -19.6664 -19.6513 -19.6513 -6.5675 -6.5675 -6.4270 -6.4270 -5.7070 -5.7070 -5.1039 -5.1039 -4.6530 -4.6530 -4.5849 -4.5849 -4.2515 -4.2515 -4.0250 -4.0250 -3.3079 -3.3079 -3.2564 -3.2564 2.8845 2.8845 3.4640 3.4640 3.8511 3.8511 4.4138 4.4138 4.5310 4.5310 4.9355 4.9355 5.1836 5.1836 5.2363 5.2363 5.5898 5.5898 6.1350 6.1350 6.3688 6.3688 6.5757 6.5757 8.4546 8.4546 9.2567 9.2567 9.3099 9.3099 10.4101 10.4101 11.0925 11.0925 k =-0.1438 0.3392 0.3684 ( 7356 PWs) bands (ev): -19.6671 -19.6671 -19.6514 -19.6514 -6.5742 -6.5742 -6.4165 -6.4165 -5.7180 -5.7180 -5.0927 -5.0927 -4.6521 -4.6521 -4.5901 -4.5901 -4.2513 -4.2513 -4.0309 -4.0309 -3.3230 -3.3230 -3.2695 -3.2695 2.9554 2.9554 3.4968 3.4968 3.8525 3.8525 4.4235 4.4235 4.5451 4.5451 4.9846 4.9846 5.2155 5.2155 5.2586 5.2586 5.6410 5.6410 6.1173 6.1173 6.3910 6.3910 6.5997 6.5997 8.4335 8.4335 9.1533 9.1533 9.1947 9.1947 10.3800 10.3800 11.0005 11.0005 k =-0.1362 0.3214 0.3491 ( 7362 PWs) bands (ev): -19.6677 -19.6677 -19.6515 -19.6515 -6.5812 -6.5812 -6.4060 -6.4060 -5.7285 -5.7285 -5.0813 -5.0813 -4.6533 -4.6533 -4.5920 -4.5920 -4.2513 -4.2513 -4.0376 -4.0376 -3.3394 -3.3394 -3.2821 -3.2821 3.0271 3.0271 3.5310 3.5310 3.8541 3.8541 4.4323 4.4323 4.5606 4.5606 5.0365 5.0365 5.2497 5.2497 5.2837 5.2837 5.6957 5.6957 6.0983 6.0983 6.4140 6.4140 6.6230 6.6230 8.4128 8.4128 9.0449 9.0449 9.0843 9.0843 10.3490 10.3490 10.9099 10.9099 k =-0.1287 0.3035 0.3297 ( 7366 PWs) bands (ev): -19.6683 -19.6683 -19.6515 -19.6515 -6.5884 -6.5884 -6.3956 -6.3956 -5.7385 -5.7385 -5.0700 -5.0700 -4.6568 -4.6568 -4.5904 -4.5904 -4.2515 -4.2515 -4.0454 -4.0454 -3.3570 -3.3570 -3.2941 -3.2941 3.0990 3.0990 3.5662 3.5662 3.8561 3.8561 4.4400 4.4400 4.5774 4.5774 5.0910 5.0910 5.2827 5.2827 5.3147 5.3147 5.7538 5.7538 6.0780 6.0780 6.4378 6.4378 6.6457 6.6457 8.3927 8.3927 8.9282 8.9282 8.9836 8.9836 10.3174 10.3174 10.8211 10.8211 k =-0.1211 0.2857 0.3103 ( 7360 PWs) bands (ev): -19.6689 -19.6689 -19.6516 -19.6516 -6.5957 -6.5957 -6.3853 -6.3853 -5.7480 -5.7480 -5.0586 -5.0586 -4.6619 -4.6619 -4.5857 -4.5857 -4.2519 -4.2519 -4.0542 -4.0542 -3.3754 -3.3754 -3.3054 -3.3054 3.1702 3.1702 3.6020 3.6020 3.8583 3.8583 4.4462 4.4462 4.5957 4.5957 5.1481 5.1481 5.3112 5.3112 5.3550 5.3550 5.8153 5.8153 6.0561 6.0561 6.4622 6.4622 6.6677 6.6677 8.3731 8.3731 8.8064 8.8064 8.8907 8.8907 10.2851 10.2851 10.7343 10.7343 k =-0.1135 0.2678 0.2909 ( 7372 PWs) bands (ev): -19.6695 -19.6695 -19.6518 -19.6518 -6.6031 -6.6031 -6.3753 -6.3753 -5.7570 -5.7570 -5.0474 -5.0474 -4.6676 -4.6676 -4.5787 -4.5787 -4.2525 -4.2525 -4.0643 -4.0643 -3.3945 -3.3945 -3.3159 -3.3159 3.2403 3.2403 3.6380 3.6380 3.8609 3.8609 4.4508 4.4508 4.6157 4.6157 5.2075 5.2075 5.3363 5.3363 5.4028 5.4028 5.8802 5.8802 6.0325 6.0325 6.4870 6.4870 6.6887 6.6887 8.3542 8.3542 8.6825 8.6825 8.8037 8.8037 10.2523 10.2523 10.6498 10.6498 k =-0.1060 0.2500 0.2715 ( 7380 PWs) bands (ev): -19.6700 -19.6700 -19.6519 -19.6519 -6.6105 -6.6105 -6.3657 -6.3657 -5.7653 -5.7653 -5.0365 -5.0365 -4.6730 -4.6730 -4.5701 -4.5701 -4.2533 -4.2533 -4.0756 -4.0756 -3.4141 -3.4141 -3.3256 -3.3256 3.3084 3.3084 3.6737 3.6737 3.8639 3.8639 4.4535 4.4535 4.6377 4.6377 5.2691 5.2691 5.3600 5.3600 5.4555 5.4555 5.9479 5.9479 6.0076 6.0076 6.5122 6.5122 6.7087 6.7087 8.3358 8.3358 8.5581 8.5581 8.7222 8.7222 10.2191 10.2191 10.5679 10.5679 k =-0.0984 0.2321 0.2521 ( 7388 PWs) bands (ev): -19.6706 -19.6706 -19.6520 -19.6520 -6.6179 -6.6179 -6.3564 -6.3564 -5.7731 -5.7731 -5.0259 -5.0259 -4.6776 -4.6776 -4.5604 -4.5604 -4.2544 -4.2544 -4.0881 -4.0881 -3.4338 -3.4338 -3.3344 -3.3344 3.3740 3.3740 3.7086 3.7086 3.8673 3.8673 4.4542 4.4542 4.6618 4.6618 5.3326 5.3326 5.3828 5.3828 5.5117 5.5117 5.9776 5.9776 6.0218 6.0218 6.5377 6.5377 6.7276 6.7276 8.3177 8.3177 8.4346 8.4346 8.6464 8.6464 10.1854 10.1854 10.4887 10.4887 k =-0.0908 0.2142 0.2327 ( 7382 PWs) bands (ev): -19.6711 -19.6711 -19.6521 -19.6521 -6.6252 -6.6252 -6.3475 -6.3475 -5.7803 -5.7803 -5.0159 -5.0159 -4.6809 -4.6809 -4.5499 -4.5499 -4.2557 -4.2557 -4.1018 -4.1018 -3.4535 -3.4535 -3.3422 -3.3422 3.4367 3.4367 3.7420 3.7420 3.8715 3.8715 4.4530 4.4530 4.6881 4.6881 5.3979 5.3979 5.4048 5.4048 5.5701 5.5701 5.9489 5.9489 6.0954 6.0954 6.5632 6.5632 6.7452 6.7452 8.2906 8.2906 8.3220 8.3220 8.5765 8.5765 10.1512 10.1512 10.4124 10.4124 k =-0.0833 0.1964 0.2133 ( 7395 PWs) bands (ev): -19.6716 -19.6716 -19.6523 -19.6523 -6.6323 -6.6323 -6.3392 -6.3392 -5.7869 -5.7869 -5.0066 -5.0066 -4.6826 -4.6826 -4.5389 -4.5389 -4.2572 -4.2572 -4.1165 -4.1165 -3.4730 -3.4730 -3.3492 -3.3492 3.4960 3.4960 3.7732 3.7732 3.8766 3.8766 4.4498 4.4498 4.7168 4.7168 5.4258 5.4258 5.4644 5.4644 5.6295 5.6295 5.9173 5.9173 6.1722 6.1722 6.5887 6.5887 6.7615 6.7615 8.1846 8.1846 8.2906 8.2906 8.5130 8.5130 10.1163 10.1163 10.3394 10.3394 k =-0.0757 0.1785 0.1939 ( 7397 PWs) bands (ev): -19.6721 -19.6721 -19.6524 -19.6524 -6.6392 -6.6392 -6.3314 -6.3314 -5.7929 -5.7929 -4.9981 -4.9981 -4.6826 -4.6826 -4.5276 -4.5276 -4.2590 -4.2590 -4.1321 -4.1321 -3.4920 -3.4920 -3.3553 -3.3553 3.5514 3.5514 3.8013 3.8013 3.8832 3.8832 4.4449 4.4449 4.7479 4.7479 5.4457 5.4457 5.5319 5.5319 5.6889 5.6889 5.8836 5.8836 6.2510 6.2510 6.6143 6.6143 6.7765 6.7765 8.0658 8.0658 8.2751 8.2751 8.4560 8.4560 10.0803 10.0803 10.2704 10.2704 k =-0.0681 0.1607 0.1745 ( 7395 PWs) bands (ev): -19.6725 -19.6725 -19.6525 -19.6525 -6.6456 -6.6456 -6.3243 -6.3243 -5.7983 -5.7983 -4.9905 -4.9905 -4.6808 -4.6808 -4.5163 -4.5163 -4.2610 -4.2610 -4.1482 -4.1482 -3.5102 -3.5102 -3.3605 -3.3605 3.6027 3.6027 3.8252 3.8252 3.8923 3.8923 4.4384 4.4384 4.7814 4.7814 5.4642 5.4642 5.5995 5.5995 5.7470 5.7470 5.8480 5.8480 6.3305 6.3305 6.6400 6.6400 6.7900 6.7900 7.9489 7.9489 8.2613 8.2613 8.4058 8.4058 10.0424 10.0424 10.2064 10.2064 k =-0.0605 0.1428 0.1551 ( 7405 PWs) bands (ev): -19.6729 -19.6729 -19.6526 -19.6526 -6.6516 -6.6516 -6.3178 -6.3178 -5.8032 -5.8032 -4.9839 -4.9839 -4.6772 -4.6772 -4.5053 -4.5053 -4.2632 -4.2632 -4.1645 -4.1645 -3.5274 -3.5274 -3.3649 -3.3649 3.6492 3.6492 3.8441 3.8441 3.9044 3.9044 4.4305 4.4305 4.8171 4.8171 5.4809 5.4809 5.6666 5.6666 5.8014 5.8014 5.8123 5.8123 6.4091 6.4091 6.6663 6.6663 6.8024 6.8024 7.8351 7.8351 8.2487 8.2487 8.3624 8.3624 10.0019 10.0019 10.1488 10.1488 k =-0.0530 0.1250 0.1357 ( 7395 PWs) bands (ev): -19.6733 -19.6733 -19.6527 -19.6527 -6.6572 -6.6572 -6.3119 -6.3119 -5.8074 -5.8074 -4.9783 -4.9783 -4.6721 -4.6721 -4.4949 -4.4949 -4.2657 -4.2657 -4.1807 -4.1807 -3.5434 -3.5434 -3.3686 -3.3686 3.6905 3.6905 3.8584 3.8584 3.9191 3.9191 4.4216 4.4216 4.8546 4.8546 5.4956 5.4956 5.7319 5.7319 5.7727 5.7727 5.8558 5.8558 6.4845 6.4845 6.6937 6.6937 6.8137 6.8137 7.7254 7.7254 8.2369 8.2369 8.3259 8.3259 9.9580 9.9580 10.0990 10.0990 k =-0.0454 0.1071 0.1164 ( 7385 PWs) bands (ev): -19.6736 -19.6736 -19.6528 -19.6528 -6.6621 -6.6621 -6.3068 -6.3068 -5.8111 -5.8111 -4.9737 -4.9737 -4.6657 -4.6657 -4.4853 -4.4853 -4.2682 -4.2682 -4.1962 -4.1962 -3.5579 -3.5579 -3.3716 -3.3716 3.7260 3.7260 3.8700 3.8700 3.9347 3.9347 4.4120 4.4120 4.8931 4.8931 5.5077 5.5077 5.7345 5.7345 5.7945 5.7945 5.9042 5.9042 6.5534 6.5534 6.7236 6.7236 6.8242 6.8242 7.6208 7.6208 8.2259 8.2259 8.2962 8.2962 9.9114 9.9114 10.0576 10.0576 k =-0.0378 0.0893 0.0970 ( 7377 PWs) bands (ev): -19.6739 -19.6739 -19.6529 -19.6529 -6.6664 -6.6664 -6.3025 -6.3025 -5.8143 -5.8143 -4.9701 -4.9701 -4.6586 -4.6586 -4.4768 -4.4768 -4.2708 -4.2708 -4.2105 -4.2105 -3.5706 -3.5706 -3.3740 -3.3740 3.7550 3.7550 3.8806 3.8806 3.9496 3.9496 4.4022 4.4022 4.9318 4.9318 5.5166 5.5166 5.6983 5.6983 5.8518 5.8518 5.9481 5.9481 6.6118 6.6118 6.7576 6.7576 6.8345 6.8345 7.5227 7.5227 8.2156 8.2156 8.2729 8.2729 9.8644 9.8644 10.0240 10.0240 k =-0.0303 0.0714 0.0776 ( 7373 PWs) bands (ev): -19.6741 -19.6741 -19.6530 -19.6530 -6.6700 -6.6700 -6.2989 -6.2989 -5.8168 -5.8168 -4.9673 -4.9673 -4.6513 -4.6513 -4.4697 -4.4697 -4.2733 -4.2733 -4.2231 -4.2231 -3.5814 -3.5814 -3.3759 -3.3759 3.7771 3.7771 3.8911 3.8911 3.9627 3.9627 4.3929 4.3929 4.9691 4.9691 5.5210 5.5210 5.6659 5.6659 5.9019 5.9019 5.9869 5.9869 6.6568 6.6568 6.7958 6.7958 6.8449 6.8449 7.4328 7.4328 8.2060 8.2060 8.2558 8.2558 9.8202 9.8202 9.9972 9.9972 k =-0.0227 0.0536 0.0582 ( 7373 PWs) bands (ev): -19.6743 -19.6743 -19.6530 -19.6530 -6.6728 -6.6728 -6.2960 -6.2960 -5.8188 -5.8188 -4.9653 -4.9653 -4.6445 -4.6445 -4.4642 -4.4642 -4.2754 -4.2754 -4.2336 -4.2336 -3.5901 -3.5901 -3.3772 -3.3772 3.7928 3.7928 3.9012 3.9012 3.9734 3.9734 4.3845 4.3845 5.0032 5.0032 5.5201 5.5201 5.6404 5.6404 5.9424 5.9424 6.0200 6.0200 6.6886 6.6886 6.8346 6.8346 6.8560 6.8560 7.3537 7.3537 8.1976 8.1976 8.2439 8.2439 9.7819 9.7819 9.9765 9.9765 k =-0.0151 0.0357 0.0388 ( 7377 PWs) bands (ev): -19.6744 -19.6744 -19.6531 -19.6531 -6.6749 -6.6749 -6.2940 -6.2940 -5.8203 -5.8203 -4.9639 -4.9639 -4.6390 -4.6390 -4.4603 -4.4603 -4.2770 -4.2770 -4.2414 -4.2414 -3.5964 -3.5964 -3.3782 -3.3782 3.8028 3.8028 3.9098 3.9098 3.9814 3.9814 4.3779 4.3779 5.0312 5.0312 5.5142 5.5142 5.6237 5.6237 5.9717 5.9717 6.0461 6.0461 6.7095 6.7095 6.8640 6.8640 6.8715 6.8715 7.2895 7.2895 8.1911 8.1911 8.2362 8.2362 9.7522 9.7522 9.9617 9.9617 k =-0.0076 0.0179 0.0194 ( 7381 PWs) bands (ev): -19.6745 -19.6745 -19.6531 -19.6531 -6.6761 -6.6761 -6.2928 -6.2928 -5.8211 -5.8211 -4.9631 -4.9631 -4.6353 -4.6353 -4.4581 -4.4581 -4.2781 -4.2781 -4.2463 -4.2463 -3.6002 -3.6002 -3.3788 -3.3788 3.8083 3.8083 3.9156 3.9156 3.9864 3.9864 4.3737 4.3737 5.0500 5.0500 5.5071 5.5071 5.6153 5.6153 5.9892 5.9892 6.0632 6.0632 6.7216 6.7216 6.8737 6.8737 6.8940 6.8940 7.2459 7.2459 8.1870 8.1870 8.2319 8.2319 9.7334 9.7334 9.9527 9.9527 k = 0.0000 0.0000 0.0000 ( 7377 PWs) bands (ev): -19.6745 -19.6745 -19.6531 -19.6531 -6.6766 -6.6766 -6.2924 -6.2924 -5.8214 -5.8214 -4.9629 -4.9629 -4.6340 -4.6340 -4.4574 -4.4574 -4.2784 -4.2784 -4.2480 -4.2480 -3.6015 -3.6015 -3.3789 -3.3789 3.8101 3.8101 3.9177 3.9177 3.9880 3.9880 4.3722 4.3722 5.0567 5.0567 5.5040 5.5040 5.6129 5.6129 5.9949 5.9949 6.0691 6.0691 6.7255 6.7255 6.8771 6.8771 6.9027 6.9027 7.2302 7.2302 8.1856 8.1856 8.2306 8.2306 9.7270 9.7270 9.9497 9.9497 k = 0.0000 0.0000 0.0000 ( 7377 PWs) bands (ev): -19.6745 -19.6745 -19.6531 -19.6531 -6.6766 -6.6766 -6.2924 -6.2924 -5.8214 -5.8214 -4.9629 -4.9629 -4.6340 -4.6340 -4.4574 -4.4574 -4.2784 -4.2784 -4.2480 -4.2480 -3.6015 -3.6015 -3.3789 -3.3789 3.8101 3.8101 3.9177 3.9177 3.9880 3.9880 4.3722 4.3722 5.0567 5.0567 5.5040 5.5040 5.6129 5.6129 5.9949 5.9949 6.0691 6.0691 6.7255 6.7255 6.8771 6.8771 6.9027 6.9027 7.2302 7.2302 8.1856 8.1856 8.2306 8.2306 9.7270 9.7270 9.9497 9.9497 k = 0.0250 0.0106 0.0000 ( 7378 PWs) bands (ev): -19.6745 -19.6745 -19.6531 -19.6531 -6.6765 -6.6765 -6.2929 -6.2929 -5.8211 -5.8211 -4.9629 -4.9629 -4.6349 -4.6349 -4.4548 -4.4548 -4.2788 -4.2788 -4.2475 -4.2475 -3.6029 -3.6029 -3.3796 -3.3796 3.8102 3.8102 3.9178 3.9178 3.9893 3.9893 4.3741 4.3741 5.0569 5.0569 5.5042 5.5042 5.6131 5.6131 5.9936 5.9936 6.0678 6.0678 6.7226 6.7226 6.8730 6.8730 6.9018 6.9018 7.2302 7.2302 8.1895 8.1895 8.2345 8.2345 9.7228 9.7228 9.9550 9.9550 k = 0.0500 0.0212 0.0000 ( 7378 PWs) bands (ev): -19.6744 -19.6744 -19.6532 -19.6532 -6.6763 -6.6763 -6.2946 -6.2946 -5.8200 -5.8200 -4.9629 -4.9629 -4.6372 -4.6372 -4.4473 -4.4473 -4.2801 -4.2801 -4.2462 -4.2462 -3.6068 -3.6068 -3.3816 -3.3816 3.8108 3.8108 3.9181 3.9181 3.9932 3.9932 4.3797 4.3797 5.0573 5.0573 5.5050 5.5050 5.6136 5.6136 5.9898 5.9898 6.0637 6.0637 6.7135 6.7135 6.8614 6.8614 6.8994 6.8994 7.2303 7.2303 8.2009 8.2009 8.2460 8.2460 9.7106 9.7106 9.9707 9.9707 k = 0.0750 0.0318 0.0000 ( 7374 PWs) bands (ev): -19.6742 -19.6742 -19.6534 -19.6534 -6.6759 -6.6759 -6.2972 -6.2972 -5.8183 -5.8183 -4.9629 -4.9629 -4.6406 -4.6406 -4.4353 -4.4353 -4.2819 -4.2819 -4.2444 -4.2444 -3.6132 -3.6132 -3.3850 -3.3850 3.8116 3.8116 3.9186 3.9186 3.9996 3.9996 4.3889 4.3889 5.0581 5.0581 5.5063 5.5063 5.6146 5.6146 5.9834 5.9834 6.0570 6.0570 6.6973 6.6973 6.8441 6.8441 6.8956 6.8956 7.2305 7.2305 8.2195 8.2195 8.2648 8.2648 9.6911 9.6911 9.9954 9.9954 k = 0.1000 0.0424 0.0000 ( 7382 PWs) bands (ev): -19.6740 -19.6740 -19.6536 -19.6536 -6.6755 -6.6755 -6.3007 -6.3007 -5.8159 -5.8159 -4.9629 -4.9629 -4.6445 -4.6445 -4.4196 -4.4196 -4.2842 -4.2842 -4.2420 -4.2420 -3.6218 -3.6218 -3.3900 -3.3900 3.8127 3.8127 3.9192 3.9192 4.0087 4.0087 4.4015 4.4015 5.0591 5.0591 5.5082 5.5082 5.6159 5.6159 5.9746 5.9746 6.0478 6.0478 6.6725 6.6725 6.8241 6.8241 6.8907 6.8907 7.2307 7.2307 8.2447 8.2447 8.2902 8.2902 9.6656 9.6656 10.0275 10.0275 k = 0.1250 0.0530 0.0000 ( 7370 PWs) bands (ev): -19.6737 -19.6737 -19.6539 -19.6539 -6.6749 -6.6749 -6.3051 -6.3051 -5.8131 -5.8131 -4.9629 -4.9629 -4.6484 -4.6484 -4.4009 -4.4009 -4.2867 -4.2867 -4.2395 -4.2395 -3.6323 -3.6323 -3.3965 -3.3965 3.8141 3.8141 3.9201 3.9201 4.0202 4.0202 4.4172 4.4172 5.0604 5.0604 5.5107 5.5107 5.6177 5.6177 5.9633 5.9633 6.0361 6.0361 6.6378 6.6378 6.8044 6.8044 6.8852 6.8852 7.2310 7.2310 8.2757 8.2757 8.3215 8.3215 9.6354 9.6354 10.0650 10.0650 k = 0.1500 0.0636 0.0000 ( 7366 PWs) bands (ev): -19.6734 -19.6734 -19.6542 -19.6542 -6.6742 -6.6742 -6.3101 -6.3101 -5.8099 -5.8099 -4.9629 -4.9629 -4.6520 -4.6520 -4.3796 -4.3796 -4.2893 -4.2893 -4.2368 -4.2368 -3.6443 -3.6443 -3.4047 -3.4047 3.8156 3.8156 3.9211 3.9211 4.0342 4.0342 4.4358 4.4358 5.0619 5.0619 5.5138 5.5138 5.6199 5.6199 5.9499 5.9499 6.0223 6.0223 6.5933 6.5933 6.7869 6.7869 6.8794 6.8794 7.2313 7.2313 8.3115 8.3115 8.3576 8.3576 9.6019 9.6019 10.1058 10.1058 k = 0.1750 0.0742 0.0000 ( 7358 PWs) bands (ev): -19.6730 -19.6730 -19.6546 -19.6546 -6.6735 -6.6735 -6.3156 -6.3156 -5.8064 -5.8064 -4.9629 -4.9629 -4.6549 -4.6549 -4.3563 -4.3563 -4.2920 -4.2920 -4.2340 -4.2340 -3.6575 -3.6575 -3.4147 -3.4147 3.8172 3.8172 3.9222 3.9222 4.0505 4.0505 4.4568 4.4568 5.0635 5.0635 5.5176 5.5176 5.6227 5.6227 5.9343 5.9343 6.0065 6.0065 6.5403 6.5403 6.7720 6.7720 6.8737 6.8737 7.2317 7.2317 8.3511 8.3511 8.3977 8.3977 9.5665 9.5665 10.1482 10.1482 k = 0.2000 0.0848 0.0000 ( 7366 PWs) bands (ev): -19.6726 -19.6726 -19.6550 -19.6550 -6.6726 -6.6726 -6.3215 -6.3215 -5.8027 -5.8027 -4.9629 -4.9629 -4.6571 -4.6571 -4.3316 -4.3316 -4.2946 -4.2946 -4.2313 -4.2313 -3.6714 -3.6714 -3.4265 -3.4265 3.8189 3.8189 3.9235 3.9235 4.0689 4.0689 4.4798 4.4798 5.0654 5.0654 5.5221 5.5221 5.6260 5.6260 5.9170 5.9170 5.9889 5.9889 6.4811 6.4811 6.7597 6.7597 6.8683 6.8683 7.2321 7.2321 8.3936 8.3936 8.4406 8.4406 9.5303 9.5303 10.1912 10.1912 k = 0.2250 0.0954 0.0000 ( 7354 PWs) bands (ev): -19.6722 -19.6722 -19.6555 -19.6555 -6.6718 -6.6718 -6.3275 -6.3275 -5.7989 -5.7989 -4.9629 -4.9629 -4.6586 -4.6586 -4.3057 -4.3057 -4.2972 -4.2972 -4.2287 -4.2287 -3.6854 -3.6854 -3.4400 -3.4400 3.8206 3.8206 3.9248 3.9248 4.0892 4.0892 4.5044 4.5044 5.0673 5.0673 5.5273 5.5273 5.6299 5.6299 5.8981 5.8981 5.9700 5.9700 6.4178 6.4178 6.7494 6.7494 6.8636 6.8636 7.2325 7.2325 8.4378 8.4378 8.4854 8.4854 9.4943 9.4943 10.2340 10.2340 k = 0.2500 0.1060 0.0000 ( 7354 PWs) bands (ev): -19.6716 -19.6716 -19.6560 -19.6560 -6.6709 -6.6709 -6.3335 -6.3335 -5.7951 -5.7951 -4.9629 -4.9629 -4.6592 -4.6592 -4.2996 -4.2996 -4.2793 -4.2793 -4.2262 -4.2262 -3.6993 -3.6993 -3.4553 -3.4553 3.8223 3.8223 3.9261 3.9261 4.1108 4.1108 4.5301 4.5301 5.0693 5.0693 5.5334 5.5334 5.6346 5.6346 5.8780 5.8780 5.9500 5.9500 6.3522 6.3522 6.7408 6.7408 6.8595 6.8595 7.2329 7.2329 8.4827 8.4827 8.5309 8.5309 9.4592 9.4592 10.2762 10.2762 k = 0.2750 0.1166 0.0000 ( 7346 PWs) bands (ev): -19.6711 -19.6711 -19.6565 -19.6565 -6.6701 -6.6701 -6.3395 -6.3395 -5.7914 -5.7914 -4.9629 -4.9629 -4.6592 -4.6592 -4.3018 -4.3018 -4.2527 -4.2527 -4.2238 -4.2238 -3.7124 -3.7124 -3.4721 -3.4721 3.8239 3.8239 3.9275 3.9275 4.1335 4.1335 4.5563 4.5563 5.0712 5.0712 5.5403 5.5403 5.6399 5.6399 5.8569 5.8569 5.9293 5.9293 6.2861 6.2861 6.7338 6.7338 6.8561 6.8561 7.2333 7.2333 8.5274 8.5274 8.5761 8.5761 9.4259 9.4259 10.3176 10.3176 k = 0.3000 0.1272 0.0000 ( 7342 PWs) bands (ev): -19.6705 -19.6705 -19.6571 -19.6571 -6.6692 -6.6692 -6.3452 -6.3452 -5.7880 -5.7880 -4.9629 -4.9629 -4.6587 -4.6587 -4.3039 -4.3039 -4.2265 -4.2265 -4.2216 -4.2216 -3.7242 -3.7242 -3.4903 -3.4903 3.8255 3.8255 3.9288 3.9288 4.1565 4.1565 4.5826 4.5826 5.0732 5.0732 5.5481 5.5481 5.6461 5.6461 5.8352 5.8352 5.9083 5.9083 6.2211 6.2211 6.7281 6.7281 6.8534 6.8534 7.2337 7.2337 8.5707 8.5707 8.6199 8.6199 9.3947 9.3947 10.3578 10.3578 k = 0.3250 0.1378 0.0000 ( 7370 PWs) bands (ev): -19.6699 -19.6699 -19.6577 -19.6577 -6.6684 -6.6684 -6.3505 -6.3505 -5.7848 -5.7848 -4.9629 -4.9629 -4.6576 -4.6576 -4.3058 -4.3058 -4.2196 -4.2196 -4.2013 -4.2013 -3.7343 -3.7343 -3.5096 -3.5096 3.8270 3.8270 3.9301 3.9301 4.1793 4.1793 4.6083 4.6083 5.0750 5.0750 5.5568 5.5568 5.6530 5.6530 5.8133 5.8133 5.8872 5.8872 6.1587 6.1587 6.7236 6.7236 6.8514 6.8514 7.2341 7.2341 8.6117 8.6117 8.6615 8.6615 9.3663 9.3663 10.3962 10.3962 k = 0.3500 0.1484 0.0000 ( 7370 PWs) bands (ev): -19.6693 -19.6693 -19.6583 -19.6583 -6.6677 -6.6677 -6.3553 -6.3553 -5.7819 -5.7819 -4.9630 -4.9630 -4.6562 -4.6562 -4.3074 -4.3074 -4.2179 -4.2179 -4.1777 -4.1777 -3.7421 -3.7421 -3.5296 -3.5296 3.8284 3.8284 3.9313 3.9313 4.2013 4.2013 4.6328 4.6328 5.0767 5.0767 5.5665 5.5665 5.6607 5.6607 5.7915 5.7915 5.8665 5.8665 6.1003 6.1003 6.7201 6.7201 6.8499 6.8499 7.2344 7.2344 8.6494 8.6494 8.6998 8.6998 9.3411 9.3411 10.4323 10.4323 k = 0.3750 0.1590 0.0000 ( 7354 PWs) bands (ev): -19.6687 -19.6687 -19.6589 -19.6589 -6.6671 -6.6671 -6.3595 -6.3595 -5.7793 -5.7793 -4.9630 -4.9630 -4.6547 -4.6547 -4.3089 -4.3089 -4.2164 -4.2164 -4.1564 -4.1564 -3.7474 -3.7474 -3.5498 -3.5498 3.8296 3.8296 3.9323 3.9323 4.2216 4.2216 4.6554 4.6554 5.0783 5.0783 5.5772 5.5772 5.6692 5.6692 5.7701 5.7701 5.8464 5.8464 6.0473 6.0473 6.7174 6.7174 6.8489 6.8489 7.2348 7.2348 8.6831 8.6831 8.7339 8.7339 9.3192 9.3192 10.4511 10.4511 k = 0.4000 0.1696 0.0000 ( 7346 PWs) bands (ev): -19.6681 -19.6681 -19.6595 -19.6595 -6.6665 -6.6665 -6.3630 -6.3630 -5.7772 -5.7772 -4.9630 -4.9630 -4.6532 -4.6532 -4.3101 -4.3101 -4.2152 -4.2152 -4.1380 -4.1380 -3.7498 -3.7498 -3.5694 -3.5694 3.8306 3.8306 3.9332 3.9332 4.2395 4.2395 4.6754 4.6754 5.0796 5.0796 5.5886 5.5886 5.6782 5.6782 5.7495 5.7495 5.8275 5.8275 6.0013 6.0013 6.7154 6.7154 6.8483 6.8483 7.2350 7.2350 8.7118 8.7118 8.7630 8.7630 9.3010 9.3010 10.4503 10.4503 k = 0.4250 0.1802 0.0000 ( 7342 PWs) bands (ev): -19.6676 -19.6676 -19.6601 -19.6601 -6.6661 -6.6661 -6.3659 -6.3659 -5.7756 -5.7756 -4.9630 -4.9630 -4.6518 -4.6518 -4.3110 -4.3110 -4.2142 -4.2142 -4.1232 -4.1232 -3.7498 -3.7498 -3.5874 -3.5874 3.8314 3.8314 3.9340 3.9340 4.2543 4.2543 4.6921 4.6921 5.0806 5.0806 5.6005 5.6005 5.6875 5.6875 5.7303 5.7303 5.8103 5.8103 5.9636 5.9636 6.7140 6.7140 6.8479 6.8479 7.2352 7.2352 8.7349 8.7349 8.7865 8.7865 9.2866 9.2866 10.4498 10.4498 k = 0.4500 0.1908 0.0000 ( 7338 PWs) bands (ev): -19.6671 -19.6671 -19.6605 -19.6605 -6.6658 -6.6658 -6.3679 -6.3679 -5.7743 -5.7743 -4.9630 -4.9630 -4.6508 -4.6508 -4.3117 -4.3117 -4.2135 -4.2135 -4.1123 -4.1123 -3.7479 -3.7479 -3.6025 -3.6025 3.8320 3.8320 3.9345 3.9345 4.2654 4.2654 4.7046 4.7046 5.0814 5.0814 5.6122 5.6122 5.6964 5.6964 5.7133 5.7133 5.7956 5.7956 5.9356 5.9356 6.7130 6.7130 6.8477 6.8477 7.2354 7.2354 8.7518 8.7518 8.8037 8.8037 9.2762 9.2762 10.4494 10.4494 k = 0.4750 0.2014 0.0000 ( 7338 PWs) bands (ev): -19.6668 -19.6668 -19.6608 -19.6608 -6.6656 -6.6656 -6.3692 -6.3692 -5.7736 -5.7736 -4.9630 -4.9630 -4.6501 -4.6501 -4.3121 -4.3121 -4.2130 -4.2130 -4.1057 -4.1057 -3.7457 -3.7457 -3.6128 -3.6128 3.8324 3.8324 3.9348 3.9348 4.2723 4.2723 4.7124 4.7124 5.0819 5.0819 5.6218 5.6218 5.7005 5.7005 5.7034 5.7034 5.7851 5.7851 5.9183 5.9183 6.7125 6.7125 6.8476 6.8476 7.2355 7.2355 8.7622 8.7622 8.8142 8.8142 9.2700 9.2700 10.4492 10.4492 k = 0.5000 0.2120 0.0000 ( 7334 PWs) bands (ev): -19.6667 -19.6667 -19.6609 -19.6609 -6.6655 -6.6655 -6.3696 -6.3696 -5.7734 -5.7734 -4.9630 -4.9630 -4.6498 -4.6498 -4.3122 -4.3122 -4.2129 -4.2129 -4.1035 -4.1035 -3.7448 -3.7448 -3.6165 -3.6165 3.8325 3.8325 3.9350 3.9350 4.2746 4.2746 4.7151 4.7151 5.0820 5.0820 5.6258 5.6258 5.6953 5.6953 5.7061 5.7061 5.7812 5.7812 5.9124 5.9124 6.7123 6.7123 6.8476 6.8476 7.2355 7.2355 8.7657 8.7657 8.8177 8.8177 9.2679 9.2679 10.4491 10.4491 k = 0.5000 0.2120 0.0000 ( 7334 PWs) bands (ev): -19.6667 -19.6667 -19.6609 -19.6609 -6.6655 -6.6655 -6.3696 -6.3696 -5.7734 -5.7734 -4.9630 -4.9630 -4.6498 -4.6498 -4.3122 -4.3122 -4.2129 -4.2129 -4.1035 -4.1035 -3.7448 -3.7448 -3.6165 -3.6165 3.8325 3.8325 3.9350 3.9350 4.2746 4.2746 4.7151 4.7151 5.0820 5.0820 5.6258 5.6258 5.6953 5.6953 5.7061 5.7061 5.7812 5.7812 5.9124 5.9124 6.7123 6.7123 6.8476 6.8476 7.2355 7.2355 8.7657 8.7657 8.8177 8.8177 9.2679 9.2679 10.4491 10.4491 k = 0.4924 0.2298 0.0194 ( 7336 PWs) bands (ev): -19.6667 -19.6667 -19.6609 -19.6609 -6.6653 -6.6653 -6.3697 -6.3697 -5.7731 -5.7731 -4.9634 -4.9634 -4.6500 -4.6500 -4.3128 -4.3128 -4.2135 -4.2135 -4.1036 -4.1036 -3.7434 -3.7434 -3.6148 -3.6148 3.8313 3.8313 3.9336 3.9336 4.2732 4.2732 4.7148 4.7148 5.0749 5.0749 5.6248 5.6248 5.6913 5.6913 5.7033 5.7033 5.7773 5.7773 5.9237 5.9237 6.7037 6.7037 6.8370 6.8370 7.2521 7.2521 8.7657 8.7657 8.8177 8.8177 9.2727 9.2727 10.4565 10.4565 k = 0.4848 0.2477 0.0389 ( 7342 PWs) bands (ev): -19.6666 -19.6666 -19.6609 -19.6609 -6.6645 -6.6645 -6.3702 -6.3702 -5.7722 -5.7722 -4.9647 -4.9647 -4.6505 -4.6505 -4.3147 -4.3147 -4.2154 -4.2154 -4.1037 -4.1037 -3.7393 -3.7393 -3.6099 -3.6099 3.8276 3.8276 3.9298 3.9298 4.2688 4.2688 4.7138 4.7138 5.0542 5.0542 5.6223 5.6223 5.6800 5.6800 5.6956 5.6956 5.7658 5.7658 5.9546 5.9546 6.6794 6.6794 6.8081 6.8081 7.2977 7.2977 8.7659 8.7659 8.8177 8.8177 9.2869 9.2869 10.4780 10.4780 k = 0.4772 0.2656 0.0583 ( 7344 PWs) bands (ev): -19.6665 -19.6665 -19.6608 -19.6608 -6.6632 -6.6632 -6.3709 -6.3709 -5.7707 -5.7707 -4.9669 -4.9669 -4.6513 -4.6513 -4.3176 -4.3176 -4.2186 -4.2186 -4.1039 -4.1039 -3.7325 -3.7325 -3.6018 -3.6018 3.8209 3.8209 3.9240 3.9240 4.2614 4.2614 4.7122 4.7122 5.0223 5.0223 5.6189 5.6189 5.6625 5.6625 5.6852 5.6852 5.7474 5.7474 5.9990 5.9990 6.6431 6.6431 6.7668 6.7668 7.3639 7.3639 8.7665 8.7665 8.8180 8.8180 9.3100 9.3100 10.5116 10.5116 k = 0.4697 0.2835 0.0777 ( 7340 PWs) bands (ev): -19.6663 -19.6663 -19.6608 -19.6608 -6.6614 -6.6614 -6.3720 -6.3720 -5.7686 -5.7686 -4.9700 -4.9700 -4.6523 -4.6523 -4.3215 -4.3215 -4.2229 -4.2229 -4.1041 -4.1041 -3.7231 -3.7231 -3.5909 -3.5909 3.8104 3.8104 3.9169 3.9169 4.2508 4.2508 4.7100 4.7100 4.9820 4.9820 5.6145 5.6145 5.6390 5.6390 5.6743 5.6743 5.7228 5.7228 6.0516 6.0516 6.5974 6.5974 6.7182 6.7182 7.4443 7.4443 8.7676 8.7676 8.8189 8.8189 9.3413 9.3413 10.5527 10.5527 k = 0.4621 0.3014 0.0972 ( 7342 PWs) bands (ev): -19.6661 -19.6661 -19.6607 -19.6607 -6.6592 -6.6592 -6.3733 -6.3733 -5.7659 -5.7659 -4.9740 -4.9740 -4.6535 -4.6535 -4.3260 -4.3260 -4.2282 -4.2282 -4.1043 -4.1043 -3.7113 -3.7113 -3.5774 -3.5774 3.7951 3.7951 3.9093 3.9093 4.2367 4.2367 4.7070 4.7070 4.9364 4.9364 5.6012 5.6012 5.6164 5.6164 5.6653 5.6653 5.6932 5.6932 6.1085 6.1085 6.5429 6.5429 6.6677 6.6677 7.5348 7.5348 8.7697 8.7697 8.8207 8.8207 9.3800 9.3800 10.5828 10.5828 k = 0.4545 0.3193 0.1166 ( 7338 PWs) bands (ev): -19.6659 -19.6659 -19.6606 -19.6606 -6.6566 -6.6566 -6.3750 -6.3750 -5.7625 -5.7625 -4.9789 -4.9789 -4.6549 -4.6549 -4.3311 -4.3311 -4.2344 -4.2344 -4.1045 -4.1045 -3.6973 -3.6973 -3.5618 -3.5618 3.7741 3.7741 3.9021 3.9021 4.2189 4.2189 4.7034 4.7034 4.8883 4.8883 5.5666 5.5666 5.6053 5.6053 5.6594 5.6594 5.6606 5.6606 6.1670 6.1670 6.4792 6.4792 6.6200 6.6200 7.6328 7.6328 8.7728 8.7728 8.8242 8.8242 9.4255 9.4255 10.6017 10.6017 k = 0.4469 0.3372 0.1360 ( 7334 PWs) bands (ev): -19.6656 -19.6656 -19.6605 -19.6605 -6.6536 -6.6536 -6.3769 -6.3769 -5.7585 -5.7585 -4.9846 -4.9846 -4.6563 -4.6563 -4.3366 -4.3366 -4.2411 -4.2411 -4.1046 -4.1046 -3.6812 -3.6812 -3.5443 -3.5443 3.7470 3.7470 3.8957 3.8957 4.1970 4.1970 4.6989 4.6989 4.8399 4.8399 5.5237 5.5237 5.5918 5.5918 5.6226 5.6226 5.6612 5.6612 6.2245 6.2245 6.4073 6.4073 6.5775 6.5775 7.7367 7.7367 8.7770 8.7770 8.8305 8.8305 9.4770 9.4770 10.6211 10.6211 k = 0.4393 0.3551 0.1555 ( 7326 PWs) bands (ev): -19.6652 -19.6652 -19.6603 -19.6603 -6.6503 -6.6503 -6.3791 -6.3791 -5.7539 -5.7539 -4.9911 -4.9911 -4.6578 -4.6578 -4.3423 -4.3423 -4.2481 -4.2481 -4.1046 -4.1046 -3.6635 -3.6635 -3.5253 -3.5253 3.7135 3.7135 3.8901 3.8901 4.1708 4.1708 4.6936 4.6936 4.7932 4.7932 5.4760 5.4760 5.5724 5.5724 5.5850 5.5850 5.6666 5.6666 6.2754 6.2754 6.3338 6.3338 6.5401 6.5401 7.8453 7.8453 8.7816 8.7816 8.8410 8.8410 9.5340 9.5340 10.6421 10.6421 k = 0.4317 0.3730 0.1749 ( 7344 PWs) bands (ev): -19.6649 -19.6649 -19.6602 -19.6602 -6.6469 -6.6469 -6.3816 -6.3816 -5.7486 -5.7486 -4.9985 -4.9985 -4.6593 -4.6593 -4.3483 -4.3483 -4.2550 -4.2550 -4.1044 -4.1044 -3.6442 -3.6442 -3.5051 -3.5051 3.6738 3.6738 3.8852 3.8852 4.1403 4.1403 4.6870 4.6870 4.7499 4.7499 5.4248 5.4248 5.5372 5.5372 5.5580 5.5580 5.6755 5.6755 6.2405 6.2405 6.3392 6.3392 6.5069 6.5069 7.9577 7.9577 8.7861 8.7861 8.8574 8.8574 9.5960 9.5960 10.6644 10.6644 k = 0.4242 0.3909 0.1943 ( 7348 PWs) bands (ev): -19.6645 -19.6645 -19.6600 -19.6600 -6.6432 -6.6432 -6.3843 -6.3843 -5.7426 -5.7426 -5.0065 -5.0065 -4.6606 -4.6606 -4.3546 -4.3546 -4.2618 -4.2618 -4.1039 -4.1039 -3.6237 -3.6237 -3.4840 -3.4840 3.6281 3.6281 3.8807 3.8807 4.1056 4.1056 4.6780 4.6780 4.7119 4.7119 5.3712 5.3712 5.4940 5.4940 5.5352 5.5352 5.6871 5.6871 6.1600 6.1600 6.3844 6.3844 6.4774 6.4774 8.0734 8.0734 8.7900 8.7900 8.8810 8.8810 9.6627 9.6627 10.6877 10.6877 k = 0.4166 0.4088 0.2138 ( 7348 PWs) bands (ev): -19.6640 -19.6640 -19.6599 -19.6599 -6.6395 -6.6395 -6.3873 -6.3873 -5.7359 -5.7359 -5.0153 -5.0153 -4.6619 -4.6619 -4.3611 -4.3611 -4.2680 -4.2680 -4.1030 -4.1030 -3.6023 -3.6023 -3.4623 -3.4623 3.5768 3.5768 3.8762 3.8762 4.0672 4.0672 4.6608 4.6608 4.6853 4.6853 5.3162 5.3162 5.4490 5.4490 5.5114 5.5114 5.7008 5.7008 6.0790 6.0790 6.4219 6.4219 6.4545 6.4545 8.1915 8.1915 8.7932 8.7932 8.9123 8.9123 9.7335 9.7335 10.7114 10.7114 k = 0.4090 0.4267 0.2332 ( 7336 PWs) bands (ev): -19.6636 -19.6636 -19.6597 -19.6597 -6.6357 -6.6357 -6.3905 -6.3905 -5.7286 -5.7286 -5.0247 -5.0247 -4.6630 -4.6630 -4.3680 -4.3680 -4.2736 -4.2736 -4.1017 -4.1017 -3.5803 -3.5803 -3.4402 -3.4402 3.5201 3.5201 3.8712 3.8712 4.0260 4.0260 4.6340 4.6340 4.6716 4.6716 5.2607 5.2607 5.4035 5.4035 5.4865 5.4865 5.7162 5.7162 6.0001 6.0001 6.4181 6.4181 6.4692 6.4692 8.3118 8.3118 8.7960 8.7960 8.9518 8.9518 9.8080 9.8080 10.7351 10.7351 k = 0.4014 0.4446 0.2526 ( 7338 PWs) bands (ev): -19.6631 -19.6631 -19.6595 -19.6595 -6.6319 -6.6319 -6.3940 -6.3940 -5.7206 -5.7206 -5.0347 -5.0347 -4.6639 -4.6639 -4.3752 -4.3752 -4.2784 -4.2784 -4.0998 -4.0998 -3.5578 -3.5578 -3.4179 -3.4179 3.4586 3.4586 3.8648 3.8648 3.9837 3.9837 4.6072 4.6072 4.6610 4.6610 5.2054 5.2054 5.3582 5.3582 5.4608 5.4608 5.7332 5.7332 5.9245 5.9245 6.3958 6.3958 6.4978 6.4978 8.4334 8.4334 8.7985 8.7985 8.9995 8.9995 9.8858 9.8858 10.7583 10.7583 k = 0.3938 0.4624 0.2721 ( 7336 PWs) bands (ev): -19.6626 -19.6626 -19.6594 -19.6594 -6.6281 -6.6281 -6.3977 -6.3977 -5.7120 -5.7120 -5.0452 -5.0452 -4.6647 -4.6647 -4.3826 -4.3826 -4.2823 -4.2823 -4.0971 -4.0971 -3.5351 -3.5351 -3.3956 -3.3956 3.3929 3.3929 3.8543 3.8543 3.9435 3.9435 4.5832 4.5832 4.6501 4.6501 5.1506 5.1506 5.3139 5.3139 5.4346 5.4346 5.7516 5.7516 5.8527 5.8527 6.3737 6.3737 6.5216 6.5216 8.5560 8.5560 8.8010 8.8010 9.0551 9.0551 9.9663 9.9663 10.7805 10.7805 k = 0.3862 0.4803 0.2915 ( 7320 PWs) bands (ev): -19.6620 -19.6620 -19.6592 -19.6592 -6.6244 -6.6244 -6.4016 -6.4016 -5.7028 -5.7028 -5.0560 -5.0560 -4.6653 -4.6653 -4.3904 -4.3904 -4.2854 -4.2854 -4.0937 -4.0937 -3.5125 -3.5125 -3.3735 -3.3735 3.3235 3.3235 3.8341 3.8341 3.9119 3.9119 4.5620 4.5620 4.6384 4.6384 5.0971 5.0971 5.2713 5.2713 5.4081 5.4081 5.7706 5.7706 5.7857 5.7857 6.3526 6.3526 6.5394 6.5394 8.6784 8.6784 8.8039 8.8039 9.1184 9.1184 10.0489 10.0489 10.8015 10.8015 k = 0.3786 0.4982 0.3109 ( 7318 PWs) bands (ev): -19.6615 -19.6615 -19.6590 -19.6590 -6.6208 -6.6208 -6.4057 -6.4057 -5.6930 -5.6930 -5.0672 -5.0672 -4.6658 -4.6658 -4.3984 -4.3984 -4.2877 -4.2877 -4.0895 -4.0895 -3.4900 -3.4900 -3.3518 -3.3518 3.2511 3.2511 3.8000 3.8000 3.8938 3.8938 4.5433 4.5433 4.6256 4.6256 5.0450 5.0450 5.2310 5.2310 5.3815 5.3815 5.7215 5.7215 5.7923 5.7923 6.3326 6.3326 6.5515 6.5515 8.7870 8.7870 8.8205 8.8205 9.1888 9.1888 10.1328 10.1328 10.8211 10.8211 k = 0.3711 0.5161 0.3304 ( 7334 PWs) bands (ev): -19.6609 -19.6609 -19.6589 -19.6589 -6.6173 -6.6173 -6.4100 -6.4100 -5.6828 -5.6828 -5.0786 -5.0786 -4.6661 -4.6661 -4.4065 -4.4065 -4.2893 -4.2893 -4.0845 -4.0845 -3.4679 -3.4679 -3.3306 -3.3306 3.1767 3.1767 3.7572 3.7572 3.8846 3.8846 4.5268 4.5268 4.6116 4.6116 4.9947 4.9947 5.1936 5.1936 5.3551 5.3551 5.6627 5.6627 5.8140 5.8140 6.3139 6.3139 6.5581 6.5581 8.8022 8.8022 8.9296 8.9296 9.2655 9.2655 10.2171 10.2171 10.8395 10.8395 k = 0.3635 0.5340 0.3498 ( 7344 PWs) bands (ev): -19.6604 -19.6604 -19.6588 -19.6588 -6.6140 -6.6140 -6.4145 -6.4145 -5.6722 -5.6722 -5.0901 -5.0901 -4.6663 -4.6663 -4.4147 -4.4147 -4.2902 -4.2902 -4.0787 -4.0787 -3.4463 -3.4463 -3.3100 -3.3100 3.1010 3.1010 3.7113 3.7113 3.8793 3.8793 4.5121 4.5121 4.5965 4.5965 4.9466 4.9466 5.1595 5.1595 5.3291 5.3291 5.6081 5.6081 5.8366 5.8366 6.2963 6.2963 6.5599 6.5599 8.8042 8.8042 9.0506 9.0506 9.3477 9.3477 10.3003 10.3003 10.8571 10.8571 k = 0.3559 0.5519 0.3692 ( 7342 PWs) bands (ev): -19.6598 -19.6598 -19.6586 -19.6586 -6.6107 -6.6107 -6.4191 -6.4191 -5.6614 -5.6614 -5.1017 -5.1017 -4.6664 -4.6664 -4.4228 -4.4228 -4.2906 -4.2906 -4.0721 -4.0721 -3.4254 -3.4254 -3.2901 -3.2901 3.0249 3.0249 3.6651 3.6651 3.8758 3.8758 4.4990 4.4990 4.5803 4.5803 4.9007 4.9007 5.1289 5.1289 5.3037 5.3037 5.5577 5.5577 5.8601 5.8601 6.2799 6.2799 6.5575 6.5575 8.8049 8.8049 9.1707 9.1707 9.4343 9.4343 10.3810 10.3810 10.8748 10.8748 k = 0.3483 0.5698 0.3887 ( 7354 PWs) bands (ev): -19.6592 -19.6592 -19.6585 -19.6585 -6.6074 -6.6074 -6.4238 -6.4238 -5.6504 -5.6504 -5.1133 -5.1133 -4.6665 -4.6665 -4.4308 -4.4308 -4.2905 -4.2905 -4.0649 -4.0649 -3.4052 -3.4052 -3.2712 -3.2712 2.9494 2.9494 3.6197 3.6197 3.8731 3.8731 4.4873 4.4873 4.5631 4.5631 4.8575 4.8575 5.1019 5.1019 5.2791 5.2791 5.5114 5.5114 5.8842 5.8842 6.2647 6.2647 6.5513 6.5513 8.8049 8.8049 9.2888 9.2888 9.5242 9.5242 10.4570 10.4570 10.8937 10.8937 k = 0.3407 0.5877 0.4081 ( 7366 PWs) bands (ev): -19.6586 -19.6586 -19.6585 -19.6585 -6.6043 -6.6043 -6.4287 -6.4287 -5.6394 -5.6394 -5.1248 -5.1248 -4.6665 -4.6665 -4.4385 -4.4385 -4.2900 -4.2900 -4.0571 -4.0571 -3.3859 -3.3859 -3.2533 -3.2533 2.8754 2.8754 3.5758 3.5758 3.8710 3.8710 4.4767 4.4767 4.5451 4.5451 4.8169 4.8169 5.0787 5.0787 5.2555 5.2555 5.4691 5.4691 5.9089 5.9089 6.2508 6.2508 6.5421 6.5421 8.8042 8.8042 9.4039 9.4039 9.6162 9.6162 10.5259 10.5259 10.9150 10.9150 k = 0.3331 0.6056 0.4275 ( 7374 PWs) bands (ev): -19.6584 -19.6584 -19.6580 -19.6580 -6.6011 -6.6011 -6.4336 -6.4336 -5.6286 -5.6286 -5.1360 -5.1360 -4.6666 -4.6666 -4.4460 -4.4460 -4.2892 -4.2892 -4.0490 -4.0490 -3.3675 -3.3675 -3.2365 -3.2365 2.8036 2.8036 3.5340 3.5340 3.8693 3.8693 4.4670 4.4670 4.5267 4.5267 4.7793 4.7793 5.0590 5.0590 5.2331 5.2331 5.4306 5.4306 5.9342 5.9342 6.2382 6.2382 6.5303 6.5303 8.8026 8.8026 9.5153 9.5153 9.7088 9.7088 10.5852 10.5852 10.9404 10.9404 k = 0.3256 0.6235 0.4470 ( 7370 PWs) bands (ev): -19.6584 -19.6584 -19.6575 -19.6575 -6.5979 -6.5979 -6.4385 -6.4385 -5.6181 -5.6181 -5.1469 -5.1469 -4.6667 -4.6667 -4.4530 -4.4530 -4.2880 -4.2880 -4.0407 -4.0407 -3.3502 -3.3502 -3.2208 -3.2208 2.7350 2.7350 3.4945 3.4945 3.8678 3.8678 4.4581 4.4581 4.5082 4.5082 4.7447 4.7447 5.0428 5.0428 5.2120 5.2120 5.3958 5.3958 5.9598 5.9598 6.2270 6.2270 6.5166 6.5166 8.8001 8.8001 9.6222 9.6222 9.8008 9.8008 10.6329 10.6329 10.9707 10.9707 k = 0.3180 0.6414 0.4664 ( 7380 PWs) bands (ev): -19.6584 -19.6584 -19.6569 -19.6569 -6.5945 -6.5945 -6.4435 -6.4435 -5.6081 -5.6081 -5.1573 -5.1573 -4.6668 -4.6668 -4.4596 -4.4596 -4.2866 -4.2866 -4.0324 -4.0324 -3.3339 -3.3339 -3.2065 -3.2065 2.6702 2.6702 3.4576 3.4576 3.8665 3.8665 4.4495 4.4495 4.4903 4.4903 4.7132 4.7132 5.0296 5.0296 5.1923 5.1923 5.3646 5.3646 5.9858 5.9858 6.2173 6.2173 6.5013 6.5013 8.7967 8.7967 9.7236 9.7236 9.8905 9.8905 10.6685 10.6685 11.0061 11.0061 k = 0.3104 0.6593 0.4858 ( 7392 PWs) bands (ev): -19.6584 -19.6584 -19.6564 -19.6564 -6.5911 -6.5911 -6.4485 -6.4485 -5.5989 -5.5989 -5.1671 -5.1671 -4.6671 -4.6671 -4.4657 -4.4657 -4.2850 -4.2850 -4.0243 -4.0243 -3.3187 -3.3187 -3.1934 -3.1934 2.6100 2.6100 3.4236 3.4236 3.8653 3.8653 4.4408 4.4408 4.4738 4.4738 4.6851 4.6851 5.0193 5.0193 5.1742 5.1742 5.3370 5.3370 6.0119 6.0119 6.2090 6.2090 6.4848 6.4848 8.7922 8.7922 9.8187 9.8187 9.9762 9.9762 10.6933 10.6933 11.0456 11.0456 k = 0.3028 0.6771 0.5053 ( 7398 PWs) bands (ev): -19.6584 -19.6584 -19.6559 -19.6559 -6.5875 -6.5875 -6.4535 -6.4535 -5.5906 -5.5906 -5.1761 -5.1761 -4.6674 -4.6674 -4.4713 -4.4713 -4.2832 -4.2832 -4.0167 -4.0167 -3.3047 -3.3047 -3.1818 -3.1818 2.5551 2.5551 3.3926 3.3926 3.8642 3.8642 4.4308 4.4308 4.4601 4.4601 4.6605 4.6605 5.0115 5.0115 5.1578 5.1578 5.3129 5.3129 6.0382 6.0382 6.2023 6.2023 6.4676 6.4676 8.7865 8.7865 9.9062 9.9062 10.0561 10.0561 10.7091 10.7091 11.0875 11.0875 k = 0.2952 0.6950 0.5247 ( 7392 PWs) bands (ev): -19.6585 -19.6585 -19.6554 -19.6554 -6.5837 -6.5837 -6.4585 -6.4585 -5.5835 -5.5835 -5.1841 -5.1841 -4.6679 -4.6679 -4.4763 -4.4763 -4.2813 -4.2813 -4.0097 -4.0097 -3.2919 -3.2919 -3.1717 -3.1717 2.5059 2.5059 3.3647 3.3647 3.8631 3.8631 4.4190 4.4190 4.4501 4.4501 4.6394 4.6394 5.0060 5.0060 5.1431 5.1431 5.2924 5.2924 6.0644 6.0644 6.1974 6.1974 6.4498 6.4498 8.7797 8.7797 9.9853 9.9853 10.1285 10.1285 10.7181 10.7181 11.1307 11.1307 k = 0.2876 0.7129 0.5441 ( 7384 PWs) bands (ev): -19.6587 -19.6587 -19.6549 -19.6549 -6.5796 -6.5796 -6.4634 -6.4634 -5.5778 -5.5778 -5.1911 -5.1911 -4.6685 -4.6685 -4.4807 -4.4807 -4.2792 -4.2792 -4.0034 -4.0034 -3.2803 -3.2803 -3.1631 -3.1631 2.4631 2.4631 3.3400 3.3400 3.8621 3.8621 4.4059 4.4059 4.4435 4.4435 4.6219 4.6219 5.0024 5.0024 5.1303 5.1303 5.2754 5.2754 6.0902 6.0902 6.1944 6.1944 6.4319 6.4319 8.7716 8.7716 10.0547 10.0547 10.1911 10.1911 10.7218 10.7218 11.1745 11.1745 k = 0.2800 0.7308 0.5636 ( 7386 PWs) bands (ev): -19.6588 -19.6588 -19.6544 -19.6544 -6.5752 -6.5752 -6.4682 -6.4682 -5.5736 -5.5736 -5.1967 -5.1967 -4.6692 -4.6692 -4.4847 -4.4847 -4.2772 -4.2772 -3.9980 -3.9980 -3.2699 -3.2699 -3.1560 -3.1560 2.4271 2.4271 3.3188 3.3188 3.8610 3.8610 4.3928 4.3928 4.4391 4.4391 4.6081 4.6081 5.0005 5.0005 5.1194 5.1194 5.2620 5.2620 6.1151 6.1151 6.1939 6.1939 6.4139 6.4139 8.7622 8.7622 10.1135 10.1135 10.2422 10.2422 10.7216 10.7216 11.2185 11.2185 k = 0.2725 0.7487 0.5830 ( 7382 PWs) bands (ev): -19.6590 -19.6590 -19.6540 -19.6540 -6.5705 -6.5705 -6.4730 -6.4730 -5.5712 -5.5712 -5.2010 -5.2010 -4.6700 -4.6700 -4.4884 -4.4884 -4.2750 -4.2750 -3.9937 -3.9937 -3.2608 -3.2608 -3.1506 -3.1506 2.3981 2.3981 3.3009 3.3009 3.8599 3.8599 4.3807 4.3807 4.4364 4.4364 4.5980 4.5980 5.0000 5.0000 5.1106 5.1106 5.2522 5.2522 6.1380 6.1380 6.1970 6.1970 6.3960 6.3960 8.7515 8.7515 10.1605 10.1605 10.2800 10.2800 10.7181 10.7181 11.2626 11.2626 k = 0.2725 0.7487 0.5830 ( 7382 PWs) bands (ev): -19.6590 -19.6590 -19.6540 -19.6540 -6.5705 -6.5705 -6.4730 -6.4730 -5.5712 -5.5712 -5.2010 -5.2010 -4.6700 -4.6700 -4.4884 -4.4884 -4.2750 -4.2750 -3.9937 -3.9937 -3.2608 -3.2608 -3.1506 -3.1506 2.3981 2.3981 3.3009 3.3009 3.8599 3.8599 4.3807 4.3807 4.4364 4.4364 4.5980 4.5980 5.0000 5.0000 5.1106 5.1106 5.2522 5.2522 6.1380 6.1380 6.1970 6.1970 6.3960 6.3960 8.7515 8.7515 10.1605 10.1605 10.2800 10.2800 10.7181 10.7181 11.2626 11.2626 k = 0.2477 0.7439 0.5882 ( 7373 PWs) bands (ev): -19.6591 -19.6591 -19.6539 -19.6539 -6.5690 -6.5690 -6.4744 -6.4744 -5.5709 -5.5709 -5.2018 -5.2018 -4.6697 -4.6697 -4.4913 -4.4913 -4.2723 -4.2723 -3.9933 -3.9933 -3.2590 -3.2590 -3.1489 -3.1489 2.3915 2.3915 3.2965 3.2965 3.8595 3.8595 4.3744 4.3744 4.4408 4.4408 4.5960 4.5960 4.9977 4.9977 5.1086 5.1086 5.2500 5.2500 6.1449 6.1449 6.1991 6.1991 6.3909 6.3909 8.7482 8.7482 10.1711 10.1711 10.2871 10.2871 10.7168 10.7168 11.2783 11.2783 k = 0.2229 0.7391 0.5935 ( 7377 PWs) bands (ev): -19.6592 -19.6592 -19.6537 -19.6537 -6.5671 -6.5671 -6.4761 -6.4761 -5.5710 -5.5710 -5.2024 -5.2024 -4.6684 -4.6684 -4.4979 -4.4979 -4.2658 -4.2658 -3.9943 -3.9943 -3.2580 -3.2580 -3.1466 -3.1466 2.3853 2.3853 3.2921 3.2921 3.8591 3.8591 4.3645 4.3645 4.4521 4.4521 4.5943 4.5943 4.9906 4.9906 5.1069 5.1069 5.2479 5.2479 6.1532 6.1532 6.2030 6.2030 6.3852 6.3852 8.7445 8.7445 10.1809 10.1809 10.2919 10.2919 10.7153 10.7153 11.3015 11.3015 k = 0.1982 0.7343 0.5987 ( 7376 PWs) bands (ev): -19.6593 -19.6593 -19.6536 -19.6536 -6.5650 -6.5650 -6.4780 -6.4780 -5.5712 -5.5712 -5.2028 -5.2028 -4.6661 -4.6661 -4.5073 -4.5073 -4.2561 -4.2561 -3.9965 -3.9965 -3.2577 -3.2577 -3.1437 -3.1437 2.3796 2.3796 3.2878 3.2878 3.8587 3.8587 4.3540 4.3540 4.4673 4.4673 4.5928 4.5928 4.9791 4.9791 5.1054 5.1054 5.2462 5.2462 6.1615 6.1615 6.2096 6.2096 6.3790 6.3790 8.7407 8.7407 10.1899 10.1899 10.2949 10.2949 10.7139 10.7139 11.3317 11.3317 k = 0.1734 0.7294 0.6039 ( 7375 PWs) bands (ev): -19.6594 -19.6594 -19.6535 -19.6535 -6.5626 -6.5626 -6.4802 -6.4802 -5.5715 -5.5715 -5.2030 -5.2030 -4.6628 -4.6628 -4.5188 -4.5188 -4.2445 -4.2445 -3.9999 -3.9999 -3.2581 -3.2581 -3.1403 -3.1403 2.3744 2.3744 3.2837 3.2837 3.8583 3.8583 4.3442 4.3442 4.4848 4.4848 4.5917 4.5917 4.9635 4.9635 5.1043 5.1043 5.2449 5.2449 6.1681 6.1681 6.2196 6.2196 6.3723 6.3723 8.7369 8.7369 10.1979 10.1979 10.2966 10.2966 10.7124 10.7124 11.3681 11.3681 k = 0.1486 0.7246 0.6092 ( 7376 PWs) bands (ev): -19.6595 -19.6595 -19.6533 -19.6533 -6.5600 -6.5600 -6.4825 -6.4825 -5.5719 -5.5719 -5.2031 -5.2031 -4.6584 -4.6584 -4.5314 -4.5314 -4.2316 -4.2316 -4.0043 -4.0043 -3.2588 -3.2588 -3.1369 -3.1369 2.3697 2.3697 3.2799 3.2799 3.8578 3.8578 4.3356 4.3356 4.5038 4.5038 4.5907 4.5907 4.9447 4.9447 5.1034 5.1034 5.2442 5.2442 6.1725 6.1725 6.2325 6.2325 6.3653 6.3653 8.7334 8.7334 10.2050 10.2050 10.2972 10.2972 10.7111 10.7111 11.4102 11.4102 k = 0.1238 0.7198 0.6144 ( 7374 PWs) bands (ev): -19.6596 -19.6596 -19.6532 -19.6532 -6.5575 -6.5575 -6.4849 -6.4849 -5.5724 -5.5724 -5.2030 -5.2030 -4.6531 -4.6531 -4.5447 -4.5447 -4.2186 -4.2186 -4.0095 -4.0095 -3.2599 -3.2599 -3.1335 -3.1335 2.3657 2.3657 3.2766 3.2766 3.8574 3.8574 4.3283 4.3283 4.5235 4.5235 4.5899 4.5899 4.9238 4.9238 5.1027 5.1027 5.2441 5.2441 6.1753 6.1753 6.2471 6.2471 6.3581 6.3581 8.7302 8.7302 10.2110 10.2110 10.2973 10.2973 10.7099 10.7099 11.4568 11.4568 k = 0.0991 0.7150 0.6196 ( 7373 PWs) bands (ev): -19.6597 -19.6597 -19.6531 -19.6531 -6.5550 -6.5550 -6.4871 -6.4871 -5.5728 -5.5728 -5.2030 -5.2030 -4.6467 -4.6467 -4.5581 -4.5581 -4.2060 -4.2060 -4.0150 -4.0150 -3.2610 -3.2610 -3.1304 -3.1304 2.3623 2.3623 3.2737 3.2737 3.8570 3.8570 4.3223 4.3223 4.5432 4.5432 4.5893 4.5893 4.9021 4.9021 5.1023 5.1023 5.2443 5.2443 6.1771 6.1771 6.2621 6.2621 6.3506 6.3506 8.7274 8.7274 10.2160 10.2160 10.2970 10.2970 10.7088 10.7088 11.5068 11.5068 k = 0.0743 0.7102 0.6249 ( 7371 PWs) bands (ev): -19.6597 -19.6597 -19.6530 -19.6530 -6.5528 -6.5528 -6.4891 -6.4891 -5.5732 -5.5732 -5.2029 -5.2029 -4.6394 -4.6394 -4.5711 -4.5711 -4.1949 -4.1949 -4.0203 -4.0203 -3.2620 -3.2620 -3.1279 -3.1279 2.3596 2.3596 3.2714 3.2714 3.8567 3.8567 4.3178 4.3178 4.5617 4.5617 4.5888 4.5888 4.8815 4.8815 5.1019 5.1019 5.2448 5.2448 6.1781 6.1781 6.2766 6.2766 6.3428 6.3428 8.7252 8.7252 10.2198 10.2198 10.2966 10.2966 10.7079 10.7079 11.5587 11.5587 k = 0.0495 0.7054 0.6301 ( 7363 PWs) bands (ev): -19.6598 -19.6598 -19.6530 -19.6530 -6.5510 -6.5510 -6.4908 -6.4908 -5.5735 -5.5735 -5.2028 -5.2028 -4.6314 -4.6314 -4.5835 -4.5835 -4.1860 -4.1860 -4.0250 -4.0250 -3.2628 -3.2628 -3.1259 -3.1259 2.3577 2.3577 3.2697 3.2697 3.8565 3.8565 4.3145 4.3145 4.5772 4.5772 4.5886 4.5886 4.8638 4.8638 5.1017 5.1017 5.2453 5.2453 6.1787 6.1787 6.2898 6.2898 6.3349 6.3349 8.7236 8.7236 10.2225 10.2225 10.2963 10.2963 10.7072 10.7072 11.6094 11.6095 k = 0.0248 0.7005 0.6353 ( 7356 PWs) bands (ev): -19.6598 -19.6598 -19.6529 -19.6529 -6.5499 -6.5499 -6.4918 -6.4918 -5.5737 -5.5737 -5.2027 -5.2027 -4.6233 -4.6233 -4.5942 -4.5942 -4.1802 -4.1802 -4.0282 -4.0282 -3.2633 -3.2633 -3.1247 -3.1247 2.3565 2.3565 3.2687 3.2687 3.8564 3.8564 4.3126 4.3126 4.5865 4.5865 4.5899 4.5899 4.8517 4.8517 5.1016 5.1016 5.2456 5.2456 6.1791 6.1791 6.3012 6.3012 6.3269 6.3269 8.7226 8.7226 10.2242 10.2242 10.2961 10.2961 10.7068 10.7068 11.6486 11.6486 k = 0.0000 0.6957 0.6406 ( 7352 PWs) bands (ev): -19.6598 -19.6598 -19.6529 -19.6529 -6.5495 -6.5495 -6.4922 -6.4922 -5.5738 -5.5738 -5.2027 -5.2027 -4.6186 -4.6186 -4.5997 -4.5997 -4.1781 -4.1781 -4.0293 -4.0293 -3.2635 -3.2635 -3.1243 -3.1243 2.3562 2.3562 3.2683 3.2683 3.8563 3.8563 4.3120 4.3120 4.5875 4.5875 4.5927 4.5927 4.8474 4.8474 5.1016 5.1016 5.2458 5.2458 6.1792 6.1792 6.3072 6.3072 6.3219 6.3219 8.7223 8.7223 10.2247 10.2247 10.2960 10.2960 10.7067 10.7067 11.6558 11.6558 k = 0.0000 0.6957 0.6406 ( 7352 PWs) bands (ev): -19.6598 -19.6598 -19.6529 -19.6529 -6.5495 -6.5495 -6.4922 -6.4922 -5.5738 -5.5738 -5.2027 -5.2027 -4.6186 -4.6186 -4.5997 -4.5997 -4.1781 -4.1781 -4.0293 -4.0293 -3.2635 -3.2635 -3.1243 -3.1243 2.3562 2.3562 3.2683 3.2683 3.8563 3.8563 4.3120 4.3120 4.5875 4.5875 4.5927 4.5927 4.8474 4.8474 5.1016 5.1016 5.2458 5.2458 6.1792 6.1792 6.3072 6.3072 6.3219 6.3219 8.7223 8.7223 10.2247 10.2247 10.2960 10.2960 10.7067 10.7067 11.6558 11.6558 k = 0.0076 0.6779 0.6600 ( 7354 PWs) bands (ev): -19.6598 -19.6598 -19.6529 -19.6529 -6.5493 -6.5493 -6.4920 -6.4920 -5.5732 -5.5732 -5.2022 -5.2022 -4.6212 -4.6212 -4.5969 -4.5969 -4.1786 -4.1786 -4.0289 -4.0289 -3.2643 -3.2643 -3.1252 -3.1252 2.3560 2.3560 3.2696 3.2696 3.8459 3.8459 4.3147 4.3147 4.5780 4.5780 4.5981 4.5981 4.8534 4.8534 5.1020 5.1020 5.2494 5.2494 6.1731 6.1731 6.3075 6.3075 6.3231 6.3231 8.7252 8.7252 10.2246 10.2246 10.2966 10.2966 10.7164 10.7164 11.6507 11.6507 k = 0.0152 0.6600 0.6794 ( 7356 PWs) bands (ev): -19.6598 -19.6598 -19.6528 -19.6528 -6.5488 -6.5488 -6.4913 -6.4913 -5.5716 -5.5716 -5.2009 -5.2009 -4.6268 -4.6268 -4.5907 -4.5907 -4.1800 -4.1800 -4.0277 -4.0277 -3.2668 -3.2668 -3.1278 -3.1278 2.3555 2.3555 3.2733 3.2733 3.8166 3.8166 4.3209 4.3209 4.5609 4.5609 4.6028 4.6028 4.8714 4.8714 5.1039 5.1039 5.2600 5.2600 6.1559 6.1559 6.3084 6.3084 6.3261 6.3261 8.7340 8.7340 10.2245 10.2245 10.2983 10.2983 10.7449 10.7449 11.6370 11.6370 k = 0.0227 0.6421 0.6988 ( 7354 PWs) bands (ev): -19.6597 -19.6597 -19.6528 -19.6528 -6.5480 -6.5480 -6.4902 -6.4902 -5.5688 -5.5688 -5.1987 -5.1987 -4.6333 -4.6333 -4.5832 -4.5832 -4.1822 -4.1822 -4.0258 -4.0258 -3.2709 -3.2709 -3.1322 -3.1322 2.3546 2.3546 3.2796 3.2796 3.7730 3.7730 4.3264 4.3264 4.5368 4.5368 4.6060 4.6060 4.9007 4.9007 5.1083 5.1083 5.2766 5.2766 6.1297 6.1297 6.3097 6.3097 6.3298 6.3298 8.7487 8.7487 10.2242 10.2242 10.3013 10.3013 10.7910 10.7910 11.6191 11.6191 k = 0.0303 0.6242 0.7182 ( 7358 PWs) bands (ev): -19.6596 -19.6596 -19.6527 -19.6527 -6.5469 -6.5469 -6.4886 -6.4886 -5.5650 -5.5650 -5.1955 -5.1955 -4.6399 -4.6399 -4.5751 -4.5751 -4.1853 -4.1853 -4.0231 -4.0231 -3.2766 -3.2766 -3.1383 -3.1383 2.3534 2.3534 3.2882 3.2882 3.7197 3.7197 4.3276 4.3276 4.5050 4.5050 4.6083 4.6083 4.9392 4.9392 5.1175 5.1175 5.2980 5.2980 6.0969 6.0969 6.3114 6.3114 6.3336 6.3336 8.7691 8.7691 10.2240 10.2240 10.3054 10.3054 10.8524 10.8524 11.6008 11.6008 k = 0.0379 0.6064 0.7376 ( 7350 PWs) bands (ev): -19.6594 -19.6594 -19.6525 -19.6525 -6.5456 -6.5456 -6.4867 -6.4867 -5.5601 -5.5601 -5.1915 -5.1915 -4.6464 -4.6464 -4.5665 -4.5665 -4.1891 -4.1891 -4.0198 -4.0198 -3.2838 -3.2838 -3.1460 -3.1460 2.3518 2.3518 3.2991 3.2991 3.6603 3.6603 4.3228 4.3228 4.4648 4.4648 4.6102 4.6102 4.9822 4.9822 5.1350 5.1350 5.3233 5.3233 6.0596 6.0596 6.3133 6.3133 6.3371 6.3371 8.7954 8.7954 10.2238 10.2238 10.3107 10.3107 10.9261 10.9261 11.5841 11.5841 k = 0.0455 0.5885 0.7570 ( 7354 PWs) bands (ev): -19.6593 -19.6593 -19.6524 -19.6524 -6.5440 -6.5440 -6.4843 -6.4843 -5.5541 -5.5541 -5.1866 -5.1866 -4.6528 -4.6528 -4.5575 -4.5575 -4.1936 -4.1936 -4.0160 -4.0160 -3.2925 -3.2925 -3.1554 -3.1554 2.3497 2.3497 3.3123 3.3123 3.5974 3.5974 4.3117 4.3117 4.4158 4.4158 4.6118 4.6118 5.0224 5.0224 5.1663 5.1663 5.3517 5.3517 6.0201 6.0201 6.3154 6.3154 6.3403 6.3403 8.8273 8.8273 10.2240 10.2240 10.3172 10.3172 11.0077 11.0077 11.5705 11.5705 k = 0.0530 0.5706 0.7764 ( 7352 PWs) bands (ev): -19.6591 -19.6591 -19.6522 -19.6522 -6.5422 -6.5422 -6.4816 -6.4816 -5.5472 -5.5472 -5.1809 -5.1809 -4.6590 -4.6590 -4.5482 -4.5482 -4.1987 -4.1987 -4.0116 -4.0116 -3.3027 -3.3027 -3.1663 -3.1663 2.3472 2.3472 3.3274 3.3274 3.5328 3.5328 4.2951 4.2951 4.3583 4.3583 4.6134 4.6134 5.0538 5.0538 5.2150 5.2150 5.3831 5.3831 5.9800 5.9800 6.3177 6.3177 6.3434 6.3434 8.8649 8.8649 10.2246 10.2246 10.3249 10.3249 11.0922 11.0922 11.5617 11.5617 k = 0.0606 0.5528 0.7958 ( 7346 PWs) bands (ev): -19.6589 -19.6589 -19.6520 -19.6520 -6.5402 -6.5402 -6.4786 -6.4786 -5.5393 -5.5393 -5.1743 -5.1743 -4.6649 -4.6649 -4.5384 -4.5384 -4.2044 -4.2044 -4.0068 -4.0068 -3.3143 -3.3143 -3.1788 -3.1788 2.3442 2.3442 3.3445 3.3445 3.4677 3.4677 4.2719 4.2719 4.2943 4.2943 4.6150 4.6150 5.0772 5.0772 5.2773 5.2773 5.4178 5.4178 5.9410 5.9410 6.3200 6.3200 6.3465 6.3465 8.9080 8.9080 10.2260 10.2260 10.3338 10.3338 11.1727 11.1727 11.5601 11.5601 k = 0.0682 0.5349 0.8152 ( 7354 PWs) bands (ev): -19.6586 -19.6586 -19.6518 -19.6518 -6.5381 -6.5381 -6.4753 -6.4753 -5.5305 -5.5305 -5.1669 -5.1669 -4.6705 -4.6705 -4.5283 -4.5283 -4.2105 -4.2105 -4.0015 -4.0015 -3.3271 -3.3271 -3.1926 -3.1926 2.3406 2.3406 3.3628 3.3628 3.4033 3.4033 4.2136 4.2136 4.2540 4.2540 4.6166 4.6166 5.0966 5.0966 5.3452 5.3452 5.4577 5.4577 5.9041 5.9041 6.3226 6.3226 6.3497 6.3497 8.9565 8.9565 10.2285 10.2285 10.3438 10.3438 11.2411 11.2411 11.5692 11.5692 k = 0.0758 0.5170 0.8347 ( 7366 PWs) bands (ev): -19.6584 -19.6584 -19.6515 -19.6515 -6.5359 -6.5359 -6.4718 -6.4718 -5.5209 -5.5209 -5.1588 -5.1588 -4.6756 -4.6756 -4.5180 -4.5180 -4.2170 -4.2170 -3.9960 -3.9960 -3.3411 -3.3411 -3.2079 -3.2079 2.3363 2.3363 3.3380 3.3380 3.3845 3.3845 4.1325 4.1325 4.2268 4.2268 4.6184 4.6184 5.1147 5.1147 5.4093 5.4093 5.5076 5.5076 5.8702 5.8702 6.3253 6.3253 6.3531 6.3531 9.0101 9.0101 10.2323 10.2323 10.3549 10.3549 11.2902 11.2902 11.5914 11.5914 k = 0.0833 0.4991 0.8541 ( 7372 PWs) bands (ev): -19.6581 -19.6581 -19.6513 -19.6513 -6.5336 -6.5336 -6.4681 -6.4681 -5.5105 -5.5105 -5.1499 -5.1499 -4.6802 -4.6802 -4.5074 -4.5074 -4.2237 -4.2237 -3.9901 -3.9901 -3.3563 -3.3563 -3.2243 -3.2243 2.3312 2.3312 3.2759 3.2759 3.4058 3.4058 4.0442 4.0442 4.1988 4.1988 4.6202 4.6202 5.1328 5.1328 5.4616 5.4616 5.5728 5.5728 5.8397 5.8397 6.3283 6.3283 6.3568 6.3568 9.0688 9.0688 10.2377 10.2377 10.3670 10.3670 11.3183 11.3183 11.6183 11.6183 k = 0.0909 0.4813 0.8735 ( 7366 PWs) bands (ev): -19.6578 -19.6578 -19.6510 -19.6510 -6.5312 -6.5312 -6.4643 -6.4643 -5.4994 -5.4994 -5.1403 -5.1403 -4.6842 -4.6842 -4.4966 -4.4966 -4.2307 -4.2307 -3.9839 -3.9839 -3.3723 -3.3723 -3.2420 -3.2420 2.3252 2.3252 3.2153 3.2153 3.4285 3.4285 3.9508 3.9508 4.1700 4.1700 4.6221 4.6221 5.1515 5.1515 5.5030 5.5030 5.6501 5.6501 5.8127 5.8127 6.3317 6.3317 6.3608 6.3608 9.1323 9.1323 10.2450 10.2450 10.3800 10.3800 11.3303 11.3303 11.6048 11.6048 k = 0.0985 0.4634 0.8929 ( 7366 PWs) bands (ev): -19.6575 -19.6575 -19.6507 -19.6507 -6.5288 -6.5288 -6.4605 -6.4605 -5.4877 -5.4877 -5.1300 -5.1300 -4.6877 -4.6877 -4.4858 -4.4858 -4.2376 -4.2376 -3.9774 -3.9774 -3.3893 -3.3893 -3.2606 -3.2606 2.3181 2.3181 3.1566 3.1566 3.4520 3.4520 3.8538 3.8538 4.1408 4.1408 4.6241 4.6241 5.1709 5.1709 5.5385 5.5385 5.7331 5.7331 5.7893 5.7893 6.3357 6.3357 6.3652 6.3652 9.2003 9.2003 10.2544 10.2544 10.3938 10.3938 11.3323 11.3323 11.5836 11.5836 k = 0.1061 0.4455 0.9123 ( 7364 PWs) bands (ev): -19.6572 -19.6572 -19.6504 -19.6504 -6.5264 -6.5264 -6.4567 -6.4567 -5.4755 -5.4755 -5.1191 -5.1191 -4.6905 -4.6905 -4.4751 -4.4751 -4.2445 -4.2445 -3.9706 -3.9706 -3.4070 -3.4070 -3.2802 -3.2802 2.3098 2.3098 3.1001 3.1001 3.4761 3.4761 3.7546 3.7546 4.1115 4.1115 4.6262 4.6262 5.1912 5.1912 5.5706 5.5706 5.7686 5.7686 5.8187 5.8187 6.3404 6.3404 6.3700 6.3700 9.2725 9.2725 10.2662 10.2662 10.4082 10.4082 11.3288 11.3288 11.5607 11.5607 k = 0.1136 0.4277 0.9317 ( 7368 PWs) bands (ev): -19.6568 -19.6568 -19.6501 -19.6501 -6.5240 -6.5240 -6.4529 -6.4529 -5.4628 -5.4628 -5.1077 -5.1077 -4.6926 -4.6926 -4.4646 -4.4646 -4.2511 -4.2511 -3.9634 -3.9634 -3.4252 -3.4252 -3.3006 -3.3006 2.3000 2.3000 3.0460 3.0460 3.5004 3.5004 3.6549 3.6549 4.0826 4.0826 4.6284 4.6284 5.2123 5.2123 5.6001 5.6001 5.7514 5.7514 5.9037 5.9037 6.3459 6.3459 6.3753 6.3753 9.3485 9.3485 10.2805 10.2805 10.4233 10.4233 11.3223 11.3223 11.5368 11.5368 k = 0.1212 0.4098 0.9511 ( 7382 PWs) bands (ev): -19.6565 -19.6565 -19.6498 -19.6498 -6.5216 -6.5216 -6.4493 -6.4493 -5.4498 -5.4498 -5.0958 -5.0958 -4.6939 -4.6939 -4.4546 -4.4546 -4.2574 -4.2574 -3.9560 -3.9560 -3.4439 -3.4439 -3.3217 -3.3217 2.2886 2.2886 2.9944 2.9944 3.5226 3.5226 3.5582 3.5582 4.0543 4.0543 4.6307 4.6307 5.2342 5.2342 5.6271 5.6271 5.7367 5.7367 5.9873 5.9873 6.3523 6.3523 6.3814 6.3814 9.4281 9.4281 10.2974 10.2974 10.4388 10.4388 11.3142 11.3142 11.5125 11.5125 k = 0.1288 0.3919 0.9705 ( 7380 PWs) bands (ev): -19.6562 -19.6562 -19.6495 -19.6495 -6.5193 -6.5193 -6.4459 -6.4459 -5.4366 -5.4366 -5.0836 -5.0836 -4.6946 -4.6946 -4.4453 -4.4453 -4.2630 -4.2630 -3.9481 -3.9481 -3.4629 -3.4629 -3.3433 -3.3433 2.2751 2.2751 2.9455 2.9455 3.4572 3.4572 3.5513 3.5513 4.0268 4.0268 4.6331 4.6331 5.2568 5.2568 5.6516 5.6516 5.7243 5.7243 6.0683 6.0683 6.3599 6.3599 6.3886 6.3886 9.5107 9.5107 10.3171 10.3171 10.4546 10.4546 11.3054 11.3054 11.4883 11.4883 k = 0.1364 0.3740 0.9899 ( 7380 PWs) bands (ev): -19.6559 -19.6559 -19.6492 -19.6492 -6.5170 -6.5170 -6.4427 -6.4427 -5.4234 -5.4234 -5.0711 -5.0711 -4.6945 -4.6945 -4.4370 -4.4370 -4.2678 -4.2678 -3.9399 -3.9399 -3.4820 -3.4820 -3.3654 -3.3654 2.2593 2.2593 2.8993 2.8993 3.3646 3.3646 3.5747 3.5747 4.0004 4.0004 4.6354 4.6354 5.2800 5.2800 5.6731 5.6731 5.7144 5.7144 6.1452 6.1452 6.3687 6.3687 6.3976 6.3976 9.5960 9.5960 10.3395 10.3395 10.4707 10.4707 11.2964 11.2964 11.4645 11.4645 k = 0.1439 0.3562 1.0094 ( 7380 PWs) bands (ev): -19.6555 -19.6555 -19.6489 -19.6489 -6.5147 -6.5147 -6.4398 -6.4398 -5.4101 -5.4101 -5.0584 -5.0584 -4.6937 -4.6937 -4.4300 -4.4300 -4.2715 -4.2715 -3.9313 -3.9313 -3.5010 -3.5010 -3.3876 -3.3876 2.2410 2.2410 2.8559 2.8559 3.2764 3.2764 3.5980 3.5980 3.9752 3.9752 4.6379 4.6379 5.3037 5.3037 5.6893 5.6893 5.7084 5.7084 6.2159 6.2159 6.3787 6.3787 6.4100 6.4100 9.6834 9.6834 10.3646 10.3646 10.4867 10.4867 11.2875 11.2875 11.4414 11.4414 k = 0.1515 0.3383 1.0288 ( 7390 PWs) bands (ev): -19.6552 -19.6552 -19.6486 -19.6486 -6.5125 -6.5125 -6.4371 -6.4371 -5.3971 -5.3971 -5.0458 -5.0458 -4.6921 -4.6921 -4.4245 -4.4245 -4.2740 -4.2740 -3.9223 -3.9223 -3.5198 -3.5198 -3.4100 -3.4100 2.2199 2.2199 2.8153 2.8153 3.1942 3.1942 3.6203 3.6203 3.9515 3.9515 4.6403 4.6403 5.3279 5.3279 5.6921 5.6921 5.7143 5.7143 6.2767 6.2767 6.3894 6.3894 6.4291 6.4291 9.7723 9.7723 10.3923 10.3923 10.5027 10.5027 11.2791 11.2791 11.4191 11.4191 k = 0.1591 0.3204 1.0482 ( 7384 PWs) bands (ev): -19.6549 -19.6549 -19.6483 -19.6483 -6.5104 -6.5104 -6.4347 -6.4347 -5.3843 -5.3843 -5.0333 -5.0333 -4.6900 -4.6900 -4.4206 -4.4206 -4.2751 -4.2751 -3.9129 -3.9129 -3.5381 -3.5381 -3.4323 -3.4323 2.1960 2.1960 2.7776 2.7776 3.1190 3.1190 3.6416 3.6416 3.9293 3.9293 4.6427 4.6427 5.3524 5.3524 5.6875 5.6875 5.7256 5.7256 6.3232 6.3232 6.4001 6.4001 6.4600 6.4600 9.8621 9.8621 10.4223 10.4223 10.5186 10.5186 11.2712 11.2712 11.3979 11.3979 k = 0.1667 0.3026 1.0676 ( 7382 PWs) bands (ev): -19.6546 -19.6546 -19.6480 -19.6480 -6.5084 -6.5084 -6.4326 -6.4326 -5.3719 -5.3719 -5.0210 -5.0210 -4.6872 -4.6872 -4.4186 -4.4186 -4.2748 -4.2748 -3.9032 -3.9032 -3.5559 -3.5559 -3.4544 -3.4544 2.1692 2.1692 2.7428 2.7428 3.0515 3.0515 3.6614 3.6614 3.9089 3.9089 4.6451 4.6451 5.3772 5.3772 5.6827 5.6827 5.7348 5.7348 6.3546 6.3546 6.4101 6.4101 6.5031 6.5031 9.9521 9.9521 10.4543 10.4543 10.5344 10.5344 11.2641 11.2641 11.3778 11.3778 k = 0.1742 0.2847 1.0870 ( 7382 PWs) bands (ev): -19.6543 -19.6543 -19.6478 -19.6478 -6.5065 -6.5065 -6.4308 -6.4308 -5.3600 -5.3600 -5.0092 -5.0092 -4.6839 -4.6839 -4.4182 -4.4182 -4.2732 -4.2732 -3.8932 -3.8932 -3.5728 -3.5728 -3.4760 -3.4760 2.1400 2.1400 2.7110 2.7110 2.9921 2.9921 3.6795 3.6795 3.8905 3.8905 4.6475 4.6475 5.4022 5.4022 5.6784 5.6784 5.7409 5.7409 6.3762 6.3762 6.4196 6.4196 6.5526 6.5526 10.0415 10.0415 10.4875 10.4875 10.5503 10.5503 11.2577 11.2577 11.3588 11.3588 k = 0.1818 0.2668 1.1064 ( 7376 PWs) bands (ev): -19.6541 -19.6541 -19.6475 -19.6475 -6.5048 -6.5048 -6.4292 -6.4292 -5.3488 -5.3488 -4.9980 -4.9980 -4.6802 -4.6802 -4.4193 -4.4193 -4.2705 -4.2705 -3.8830 -3.8830 -3.5888 -3.5888 -3.4970 -3.4970 2.1089 2.1089 2.6822 2.6822 2.9408 2.9408 3.6957 3.6957 3.8742 3.8742 4.6497 4.6497 5.4271 5.4271 5.6747 5.6747 5.7439 5.7439 6.3927 6.3927 6.4286 6.4286 6.6028 6.6028 10.1293 10.1293 10.5203 10.5203 10.5672 10.5672 11.2521 11.2521 11.3410 11.3410 k = 0.1894 0.2489 1.1258 ( 7378 PWs) bands (ev): -19.6538 -19.6538 -19.6473 -19.6473 -6.5031 -6.5031 -6.4279 -6.4279 -5.3383 -5.3383 -4.9876 -4.9876 -4.6761 -4.6761 -4.4216 -4.4216 -4.2671 -4.2671 -3.8727 -3.8727 -3.6037 -3.6037 -3.5172 -3.5172 2.0769 2.0769 2.6563 2.6563 2.8974 2.8974 3.7097 3.7097 3.8603 3.8603 4.6519 4.6519 5.4520 5.4520 5.6716 5.6716 5.7437 5.7437 6.4067 6.4067 6.4373 6.4373 6.6505 6.6505 10.2146 10.2146 10.5494 10.5494 10.5881 10.5881 11.2472 11.2472 11.3244 11.3244 k = 0.1970 0.2311 1.1452 ( 7380 PWs) bands (ev): -19.6536 -19.6536 -19.6471 -19.6471 -6.5016 -6.5016 -6.4269 -6.4269 -5.3288 -5.3288 -4.9780 -4.9780 -4.6718 -4.6718 -4.4247 -4.4247 -4.2633 -4.2633 -3.8626 -3.8626 -3.6172 -3.6172 -3.5363 -3.5363 2.0450 2.0450 2.6335 2.6335 2.8614 2.8614 3.7212 3.7212 3.8489 3.8489 4.6538 4.6538 5.4767 5.4767 5.6690 5.6690 5.7405 5.7405 6.4191 6.4191 6.4453 6.4453 6.6941 6.6941 10.2959 10.2959 10.5705 10.5705 10.6163 10.6163 11.2427 11.2427 11.3092 11.3092 k = 0.2045 0.2132 1.1646 ( 7376 PWs) bands (ev): -19.6534 -19.6534 -19.6469 -19.6469 -6.5003 -6.5003 -6.4260 -6.4260 -5.3202 -5.3202 -4.9695 -4.9695 -4.6674 -4.6674 -4.4283 -4.4283 -4.2594 -4.2594 -3.8528 -3.8528 -3.6291 -3.6291 -3.5540 -3.5540 2.0143 2.0143 2.6137 2.6137 2.8321 2.8321 3.7300 3.7300 3.8403 3.8403 4.6556 4.6556 5.5011 5.5011 5.6667 5.6667 5.7345 5.7345 6.4302 6.4302 6.4528 6.4528 6.7328 6.7328 10.3719 10.3719 10.5851 10.5851 10.6495 10.6495 11.2386 11.2386 11.2956 11.2956 k = 0.2121 0.1953 1.1841 ( 7378 PWs) bands (ev): -19.6533 -19.6533 -19.6467 -19.6467 -6.4992 -6.4992 -6.4253 -6.4253 -5.3128 -5.3128 -4.9621 -4.9621 -4.6632 -4.6632 -4.4320 -4.4320 -4.2557 -4.2557 -3.8436 -3.8436 -3.6394 -3.6394 -3.5702 -3.5702 1.9862 1.9862 2.5970 2.5970 2.8087 2.8087 3.7360 3.7360 3.8344 3.8344 4.6572 4.6572 5.5250 5.5250 5.6647 5.6647 5.7263 5.7263 6.4399 6.4399 6.4595 6.4595 6.7661 6.7661 10.4408 10.4408 10.5961 10.5961 10.6836 10.6836 11.2346 11.2346 11.2841 11.2841 k = 0.2197 0.1775 1.2035 ( 7390 PWs) bands (ev): -19.6531 -19.6531 -19.6466 -19.6466 -6.4982 -6.4982 -6.4248 -6.4248 -5.3066 -5.3066 -4.9560 -4.9560 -4.6594 -4.6594 -4.4355 -4.4355 -4.2524 -4.2524 -3.8353 -3.8353 -3.6479 -3.6479 -3.5844 -3.5844 1.9616 1.9616 2.5833 2.5833 2.7905 2.7905 3.7395 3.7395 3.8311 3.8311 4.6586 4.6586 5.5481 5.5481 5.6625 5.6625 5.7162 5.7162 6.4480 6.4480 6.4652 6.4652 6.7936 6.7936 10.5005 10.5005 10.6051 10.6051 10.7160 10.7160 11.2306 11.2306 11.2749 11.2749 k = 0.2273 0.1596 1.2229 ( 7392 PWs) bands (ev): -19.6530 -19.6530 -19.6465 -19.6465 -6.4974 -6.4974 -6.4245 -6.4245 -5.3016 -5.3016 -4.9512 -4.9512 -4.6560 -4.6560 -4.4386 -4.4386 -4.2496 -4.2496 -3.8282 -3.8282 -3.6545 -3.6545 -3.5962 -3.5962 1.9415 1.9415 2.5726 2.5726 2.7771 2.7771 3.7412 3.7412 3.8295 3.8295 4.6597 4.6597 5.5702 5.5702 5.6599 5.6599 5.7052 5.7052 6.4545 6.4545 6.4699 6.4699 6.8152 6.8152 10.5489 10.5489 10.6126 10.6126 10.7445 10.7445 11.2266 11.2266 11.2684 11.2684 k = 0.2348 0.1417 1.2423 ( 7386 PWs) bands (ev): -19.6529 -19.6529 -19.6464 -19.6464 -6.4969 -6.4969 -6.4242 -6.4242 -5.2980 -5.2980 -4.9477 -4.9477 -4.6535 -4.6535 -4.4410 -4.4410 -4.2475 -4.2475 -3.8227 -3.8227 -3.6591 -3.6591 -3.6052 -3.6052 1.9266 1.9266 2.5650 2.5650 2.7678 2.7678 3.7417 3.7417 3.8291 3.8291 4.6604 4.6604 5.5907 5.5907 5.6559 5.6559 5.6947 5.6947 6.4592 6.4592 6.4734 6.4734 6.8307 6.8307 10.5834 10.5834 10.6195 10.6195 10.7671 10.7671 11.2231 11.2231 11.2642 11.2642 k = 0.2424 0.1238 1.2617 ( 7394 PWs) bands (ev): -19.6529 -19.6529 -19.6464 -19.6464 -6.4966 -6.4966 -6.4241 -6.4241 -5.2959 -5.2959 -4.9456 -4.9456 -4.6518 -4.6518 -4.4426 -4.4426 -4.2462 -4.2462 -3.8193 -3.8193 -3.6618 -3.6618 -3.6108 -3.6108 1.9175 1.9175 2.5604 2.5604 2.7624 2.7624 3.7417 3.7417 3.8292 3.8292 4.6609 4.6609 5.6083 5.6083 5.6494 5.6494 5.6872 5.6872 6.4621 6.4621 6.4756 6.4756 6.8401 6.8401 10.6015 10.6015 10.6268 10.6268 10.7817 10.7817 11.2208 11.2208 11.2620 11.2620 k = 0.2500 0.1060 1.2811 ( 7392 PWs) bands (ev): -19.6529 -19.6529 -19.6464 -19.6464 -6.4964 -6.4964 -6.4240 -6.4240 -5.2951 -5.2951 -4.9449 -4.9449 -4.6513 -4.6513 -4.4431 -4.4431 -4.2457 -4.2457 -3.8181 -3.8181 -3.6627 -3.6627 -3.6128 -3.6128 1.9144 1.9144 2.5589 2.5589 2.7606 2.7606 3.7417 3.7417 3.8292 3.8292 4.6611 4.6611 5.6170 5.6170 5.6444 5.6444 5.6845 5.6845 6.4630 6.4630 6.4763 6.4763 6.8432 6.8432 10.6063 10.6063 10.6306 10.6306 10.7868 10.7868 11.2200 11.2200 11.2614 11.2614 k = 0.2500 0.1060 1.2811 ( 7392 PWs) bands (ev): -19.6529 -19.6529 -19.6464 -19.6464 -6.4964 -6.4964 -6.4240 -6.4240 -5.2951 -5.2951 -4.9449 -4.9449 -4.6513 -4.6513 -4.4431 -4.4431 -4.2457 -4.2457 -3.8181 -3.8181 -3.6627 -3.6627 -3.6128 -3.6128 1.9144 1.9144 2.5589 2.5589 2.7606 2.7606 3.7417 3.7417 3.8292 3.8292 4.6611 4.6611 5.6170 5.6170 5.6444 5.6444 5.6845 5.6845 6.4630 6.4630 6.4763 6.4763 6.8432 6.8432 10.6063 10.6063 10.6306 10.6306 10.7868 10.7868 11.2200 11.2200 11.2614 11.2614 k = 0.2727 0.1156 1.2706 ( 7389 PWs) bands (ev): -19.6529 -19.6529 -19.6464 -19.6464 -6.4965 -6.4965 -6.4241 -6.4241 -5.2952 -5.2952 -4.9448 -4.9448 -4.6519 -4.6519 -4.4429 -4.4429 -4.2450 -4.2450 -3.8183 -3.8183 -3.6677 -3.6677 -3.6078 -3.6078 1.9147 1.9147 2.5590 2.5590 2.7609 2.7609 3.7416 3.7416 3.8293 3.8293 4.6621 4.6621 5.6143 5.6143 5.6404 5.6404 5.6915 5.6915 6.4315 6.4315 6.5064 6.5064 6.8427 6.8427 10.6050 10.6050 10.6306 10.6306 10.7841 10.7841 11.1719 11.1719 11.3133 11.3133 k = 0.2955 0.1252 1.2602 ( 7391 PWs) bands (ev): -19.6529 -19.6529 -19.6464 -19.6464 -6.4965 -6.4965 -6.4241 -6.4241 -5.2956 -5.2956 -4.9445 -4.9445 -4.6538 -4.6538 -4.4423 -4.4423 -4.2429 -4.2429 -3.8192 -3.8192 -3.6787 -3.6787 -3.5968 -3.5968 1.9158 1.9158 2.5595 2.5595 2.7616 2.7616 3.7412 3.7412 3.8297 3.8297 4.6649 4.6649 5.6072 5.6072 5.6320 5.6320 5.7079 5.7079 6.3932 6.3932 6.5407 6.5407 6.8414 6.8414 10.6017 10.6017 10.6299 10.6299 10.7765 10.7765 11.1119 11.1119 11.3846 11.3846 k = 0.3182 0.1349 1.2497 ( 7391 PWs) bands (ev): -19.6529 -19.6529 -19.6464 -19.6464 -6.4966 -6.4966 -6.4242 -6.4242 -5.2961 -5.2961 -4.9441 -4.9441 -4.6566 -4.6566 -4.4415 -4.4415 -4.2396 -4.2396 -3.8211 -3.8211 -3.6909 -3.6909 -3.5839 -3.5839 1.9175 1.9175 2.5603 2.5603 2.7629 2.7629 3.7408 3.7408 3.8302 3.8302 4.6695 4.6695 5.5969 5.5969 5.6229 5.6229 5.7285 5.7285 6.3540 6.3540 6.5731 6.5731 6.8392 6.8392 10.5976 10.5976 10.6274 10.6274 10.7648 10.7648 11.0553 11.0553 11.4594 11.4594 k = 0.3409 0.1445 1.2392 ( 7399 PWs) bands (ev): -19.6529 -19.6529 -19.6464 -19.6464 -6.4967 -6.4967 -6.4243 -6.4243 -5.2970 -5.2970 -4.9437 -4.9437 -4.6597 -4.6597 -4.4407 -4.4407 -4.2352 -4.2352 -3.8247 -3.8247 -3.7020 -3.7020 -3.5710 -3.5710 1.9201 1.9201 2.5615 2.5615 2.7647 2.7647 3.7403 3.7403 3.8308 3.8308 4.6754 4.6754 5.5849 5.5849 5.6141 5.6141 5.7514 5.7514 6.3146 6.3146 6.6029 6.6029 6.8361 6.8361 10.5936 10.5936 10.6227 10.6227 10.7500 10.7500 11.0028 11.0028 11.5357 11.5357 k = 0.3636 0.1541 1.2288 ( 7397 PWs) bands (ev): -19.6529 -19.6529 -19.6465 -19.6465 -6.4969 -6.4969 -6.4244 -6.4244 -5.2981 -5.2981 -4.9433 -4.9433 -4.6628 -4.6628 -4.4402 -4.4402 -4.2300 -4.2300 -3.8304 -3.8304 -3.7106 -3.7106 -3.5588 -3.5588 1.9236 1.9236 2.5630 2.5630 2.7671 2.7671 3.7399 3.7399 3.8314 3.8314 4.6822 4.6822 5.5717 5.5717 5.6057 5.6057 5.7760 5.7760 6.2755 6.2755 6.6298 6.6298 6.8322 6.8322 10.5903 10.5903 10.6155 10.6155 10.7332 10.7332 10.9547 10.9547 11.6073 11.6073 k = 0.3864 0.1638 1.2183 ( 7396 PWs) bands (ev): -19.6529 -19.6529 -19.6465 -19.6465 -6.4971 -6.4971 -6.4244 -6.4244 -5.2994 -5.2994 -4.9432 -4.9432 -4.6655 -4.6655 -4.4401 -4.4401 -4.2244 -4.2244 -3.8383 -3.8383 -3.7160 -3.7160 -3.5476 -3.5476 1.9280 1.9280 2.5648 2.5648 2.7699 2.7699 3.7397 3.7397 3.8320 3.8320 4.6894 4.6894 5.5579 5.5579 5.5981 5.5981 5.8017 5.8017 6.2373 6.2373 6.6532 6.6532 6.8274 6.8274 10.5878 10.5878 10.6067 10.6067 10.7153 10.7153 10.9110 10.9110 11.6438 11.6438 k = 0.4091 0.1734 1.2079 ( 7386 PWs) bands (ev): -19.6529 -19.6529 -19.6465 -19.6465 -6.4974 -6.4974 -6.4245 -6.4245 -5.3010 -5.3010 -4.9435 -4.9435 -4.6673 -4.6673 -4.4405 -4.4405 -4.2188 -4.2188 -3.8481 -3.8481 -3.7179 -3.7179 -3.5378 -3.5378 1.9334 1.9334 2.5672 2.5672 2.7733 2.7733 3.7396 3.7396 3.8326 3.8326 4.6964 4.6964 5.5437 5.5437 5.5916 5.5916 5.8280 5.8280 6.2007 6.2007 6.6729 6.6729 6.8217 6.8217 10.5831 10.5831 10.5998 10.5998 10.6971 10.6971 10.8716 10.8716 11.6526 11.6526 k = 0.4318 0.1831 1.1974 ( 7391 PWs) bands (ev): -19.6530 -19.6530 -19.6466 -19.6466 -6.4978 -6.4978 -6.4246 -6.4246 -5.3029 -5.3029 -4.9441 -4.9441 -4.6681 -4.6681 -4.4414 -4.4414 -4.2136 -4.2136 -3.8589 -3.8589 -3.7167 -3.7167 -3.5296 -3.5296 1.9399 1.9399 2.5699 2.5699 2.7771 2.7771 3.7398 3.7398 3.8330 3.8330 4.7025 4.7025 5.5297 5.5297 5.5864 5.5864 5.8541 5.8541 6.1666 6.1666 6.6884 6.6884 6.8153 6.8153 10.5713 10.5713 10.6008 10.6008 10.6792 10.6792 10.8364 10.8364 11.6587 11.6587 k = 0.4545 0.1927 1.1869 ( 7383 PWs) bands (ev): -19.6530 -19.6530 -19.6466 -19.6466 -6.4982 -6.4982 -6.4246 -6.4246 -5.3049 -5.3049 -4.9453 -4.9453 -4.6678 -4.6678 -4.4426 -4.4426 -4.2095 -4.2095 -3.8698 -3.8698 -3.7130 -3.7130 -3.5229 -3.5229 1.9474 1.9474 2.5732 2.5732 2.7815 2.7815 3.7403 3.7403 3.8332 3.8332 4.7074 4.7074 5.5162 5.5162 5.5827 5.5827 5.8788 5.8788 6.1363 6.1363 6.6996 6.6996 6.8080 6.8080 10.5551 10.5551 10.6072 10.6072 10.6622 10.6622 10.8059 10.8059 11.6653 11.6653 k = 0.4773 0.2023 1.1765 ( 7381 PWs) bands (ev): -19.6530 -19.6530 -19.6467 -19.6467 -6.4988 -6.4988 -6.4247 -6.4247 -5.3073 -5.3073 -4.9470 -4.9470 -4.6665 -4.6665 -4.4439 -4.4439 -4.2069 -4.2069 -3.8799 -3.8799 -3.7072 -3.7072 -3.5179 -3.5179 1.9561 1.9561 2.5770 2.5770 2.7864 2.7864 3.7411 3.7411 3.8333 3.8333 4.7104 4.7104 5.5039 5.5039 5.5804 5.5804 5.8999 5.8999 6.1121 6.1121 6.7062 6.7062 6.7999 6.7999 10.5365 10.5365 10.6164 10.6164 10.6465 10.6465 10.7809 10.7809 11.6726 11.6726 k = 0.5000 0.2120 1.1660 ( 7382 PWs) bands (ev): -19.6530 -19.6530 -19.6468 -19.6468 -6.4993 -6.4993 -6.4247 -6.4247 -5.3098 -5.3098 -4.9492 -4.9492 -4.6644 -4.6644 -4.4451 -4.4451 -4.2064 -4.2064 -3.8884 -3.8884 -3.6997 -3.6997 -3.5145 -3.5145 1.9659 1.9659 2.5814 2.5814 2.7918 2.7918 3.7421 3.7421 3.8331 3.8331 4.7112 4.7112 5.4929 5.4929 5.5796 5.5796 5.9138 5.9138 6.0977 6.0977 6.7081 6.7081 6.7911 6.7911 10.5162 10.5162 10.6252 10.6252 10.6323 10.6323 10.7643 10.7643 11.6801 11.6801 k = 0.5000 0.2120 1.1660 ( 7382 PWs) bands (ev): -19.6530 -19.6530 -19.6468 -19.6468 -6.4993 -6.4993 -6.4247 -6.4247 -5.3098 -5.3098 -4.9492 -4.9492 -4.6644 -4.6644 -4.4451 -4.4451 -4.2064 -4.2064 -3.8884 -3.8884 -3.6997 -3.6997 -3.5145 -3.5145 1.9659 1.9659 2.5814 2.5814 2.7918 2.7918 3.7421 3.7421 3.8331 3.8331 4.7112 4.7112 5.4929 5.4929 5.5796 5.5796 5.9138 5.9138 6.0977 6.0977 6.7081 6.7081 6.7911 6.7911 10.5162 10.5162 10.6252 10.6252 10.6323 10.6323 10.7643 10.7643 11.6801 11.6801 k = 0.5000 0.2120 1.1389 ( 7382 PWs) bands (ev): -19.6531 -19.6531 -19.6470 -19.6470 -6.5010 -6.5010 -6.4247 -6.4247 -5.3173 -5.3173 -4.9558 -4.9558 -4.6582 -4.6582 -4.4475 -4.4475 -4.2082 -4.2082 -3.9078 -3.9078 -3.6782 -3.6782 -3.5071 -3.5071 1.9955 1.9955 2.5950 2.5950 2.8080 2.8080 3.7452 3.7452 3.8327 3.8327 4.7104 4.7104 5.4651 5.4651 5.5800 5.5800 5.9375 5.9375 6.0749 6.0749 6.7067 6.7067 6.7648 6.7648 10.4586 10.4586 10.5947 10.5947 10.6452 10.6452 10.7329 10.7329 11.6960 11.6960 k = 0.5000 0.2120 1.1118 ( 7366 PWs) bands (ev): -19.6532 -19.6532 -19.6472 -19.6472 -6.5031 -6.5031 -6.4246 -6.4246 -5.3262 -5.3262 -4.9630 -4.9630 -4.6522 -4.6522 -4.4492 -4.4492 -4.2109 -4.2109 -3.9265 -3.9265 -3.6567 -3.6567 -3.4983 -3.4983 2.0307 2.0307 2.6118 2.6118 2.8276 2.8276 3.7484 3.7484 3.8329 3.8329 4.7095 4.7095 5.4352 5.4352 5.5811 5.5811 5.9616 5.9616 6.0493 6.0493 6.7038 6.7038 6.7351 6.7351 10.3952 10.3952 10.5511 10.5511 10.6678 10.6678 10.6960 10.6960 11.7041 11.7041 k = 0.5000 0.2120 1.0847 ( 7358 PWs) bands (ev): -19.6533 -19.6533 -19.6475 -19.6475 -6.5055 -6.5055 -6.4246 -6.4246 -5.3363 -5.3363 -4.9705 -4.9705 -4.6473 -4.6473 -4.4495 -4.4495 -4.2148 -4.2148 -3.9445 -3.9445 -3.6355 -3.6355 -3.4884 -3.4884 2.0712 2.0712 2.6319 2.6319 2.8503 2.8503 3.7512 3.7512 3.8342 3.8342 4.7084 4.7084 5.4044 5.4044 5.5826 5.5826 5.9820 5.9820 6.0248 6.0248 6.6901 6.6901 6.7119 6.7119 10.3279 10.3279 10.5015 10.5015 10.6507 10.6507 10.6963 10.6963 11.7037 11.7037 k = 0.5000 0.2120 1.0575 ( 7366 PWs) bands (ev): -19.6534 -19.6534 -19.6478 -19.6478 -6.5081 -6.5081 -6.4246 -6.4246 -5.3476 -5.3476 -4.9781 -4.9781 -4.6438 -4.6438 -4.4481 -4.4481 -4.2199 -4.2199 -3.9617 -3.9617 -3.6146 -3.6146 -3.4775 -3.4775 2.1165 2.1165 2.6556 2.6556 2.8762 2.8762 3.7533 3.7533 3.8372 3.8372 4.7072 4.7072 5.3732 5.3732 5.5844 5.5844 5.9757 5.9757 6.0249 6.0249 6.6550 6.6550 6.7061 6.7061 10.2580 10.2580 10.4466 10.4466 10.6020 10.6020 10.7257 10.7257 11.6957 11.6957 k = 0.5000 0.2120 1.0304 ( 7364 PWs) bands (ev): -19.6535 -19.6535 -19.6482 -19.6482 -6.5111 -6.5111 -6.4245 -6.4245 -5.3598 -5.3598 -4.9856 -4.9856 -4.6423 -4.6423 -4.4445 -4.4445 -4.2262 -4.2262 -3.9780 -3.9780 -3.5942 -3.5942 -3.4657 -3.4657 2.1660 2.1660 2.6833 2.6833 2.9051 2.9051 3.7543 3.7543 3.8423 3.8423 4.7059 4.7059 5.3422 5.3422 5.5866 5.5866 5.9460 5.9460 6.0467 6.0467 6.6137 6.6137 6.7033 6.7033 10.1867 10.1867 10.3869 10.3869 10.5477 10.5477 10.7581 10.7581 11.6813 11.6813 k = 0.5000 0.2120 1.0033 ( 7364 PWs) bands (ev): -19.6537 -19.6537 -19.6486 -19.6486 -6.5143 -6.5143 -6.4243 -6.4243 -5.3729 -5.3729 -4.9931 -4.9931 -4.6427 -4.6427 -4.4388 -4.4388 -4.2337 -4.2337 -3.9934 -3.9934 -3.5745 -3.5745 -3.4532 -3.4532 2.2191 2.2191 2.7152 2.7152 2.9368 2.9368 3.7542 3.7542 3.8499 3.8499 4.7046 4.7046 5.3119 5.3119 5.5889 5.5889 5.9123 5.9123 6.0712 6.0712 6.5696 6.5696 6.7006 6.7006 10.1145 10.1145 10.3229 10.3229 10.4886 10.4886 10.7931 10.7931 11.6622 11.6622 k = 0.5000 0.2120 0.9762 ( 7372 PWs) bands (ev): -19.6538 -19.6538 -19.6490 -19.6490 -6.5178 -6.5178 -6.4241 -6.4241 -5.3868 -5.3868 -5.0002 -5.0002 -4.6449 -4.6449 -4.4309 -4.4309 -4.2421 -4.2421 -4.0081 -4.0081 -3.5556 -3.5556 -3.4403 -3.4403 2.2751 2.2751 2.7519 2.7519 2.9713 2.9713 3.7530 3.7530 3.8598 3.8598 4.7031 4.7031 5.2826 5.2826 5.5914 5.5914 5.8778 5.8778 6.0960 6.0960 6.5236 6.5236 6.6977 6.6977 10.0421 10.0421 10.2553 10.2553 10.4251 10.4251 10.8304 10.8304 11.6394 11.6394 k = 0.5000 0.2120 0.9491 ( 7368 PWs) bands (ev): -19.6540 -19.6540 -19.6495 -19.6495 -6.5214 -6.5214 -6.4239 -6.4239 -5.4013 -5.4013 -5.0070 -5.0070 -4.6488 -4.6488 -4.4213 -4.4213 -4.2513 -4.2513 -4.0220 -4.0220 -3.5376 -3.5376 -3.4272 -3.4272 2.3330 2.3330 2.7941 2.7941 3.0083 3.0083 3.7511 3.7511 3.8720 3.8720 4.7015 4.7015 5.2546 5.2546 5.5940 5.5940 5.8435 5.8435 6.1204 6.1204 6.4766 6.4766 6.6943 6.6943 9.9699 9.9699 10.1845 10.1845 10.3576 10.3576 10.8696 10.8696 11.6141 11.6141 k = 0.5000 0.2120 0.9220 ( 7382 PWs) bands (ev): -19.6542 -19.6542 -19.6500 -19.6500 -6.5253 -6.5253 -6.4235 -6.4235 -5.4164 -5.4164 -5.0135 -5.0135 -4.6538 -4.6538 -4.4104 -4.4104 -4.2610 -4.2610 -4.0352 -4.0352 -3.5208 -3.5208 -3.4140 -3.4140 2.3921 2.3921 2.8422 2.8422 3.0477 3.0477 3.7489 3.7489 3.8864 3.8864 4.6999 4.6999 5.2282 5.2282 5.5965 5.5965 5.8103 5.8103 6.1443 6.1443 6.4292 6.4292 6.6904 6.6904 9.8983 9.8983 10.1110 10.1110 10.2868 10.2868 10.9106 10.9106 11.5870 11.5870 k = 0.5000 0.2120 0.8948 ( 7384 PWs) bands (ev): -19.6544 -19.6544 -19.6505 -19.6505 -6.5294 -6.5294 -6.4231 -6.4231 -5.4319 -5.4319 -5.0195 -5.0195 -4.6597 -4.6597 -4.3984 -4.3984 -4.2709 -4.2709 -4.0480 -4.0480 -3.5053 -3.5053 -3.4010 -3.4010 2.4513 2.4513 2.8968 2.8968 3.0893 3.0893 3.7469 3.7469 3.9027 3.9027 4.6983 4.6983 5.2034 5.2034 5.5988 5.5988 5.7789 5.7789 6.1675 6.1675 6.3823 6.3823 6.6859 6.6859 9.8274 9.8274 10.0352 10.0352 10.2130 10.2130 10.9533 10.9533 11.5588 11.5588 k = 0.5000 0.2120 0.8677 ( 7378 PWs) bands (ev): -19.6546 -19.6546 -19.6511 -19.6511 -6.5337 -6.5337 -6.4226 -6.4226 -5.4478 -5.4478 -5.0251 -5.0251 -4.6660 -4.6660 -4.3859 -4.3859 -4.2806 -4.2806 -4.0604 -4.0604 -3.4912 -3.4912 -3.3885 -3.3885 2.5100 2.5100 2.9584 2.9584 3.1328 3.1328 3.7453 3.7453 3.9208 3.9208 4.6966 4.6966 5.1806 5.1806 5.6008 5.6008 5.7499 5.7499 6.1898 6.1898 6.3366 6.3366 6.6806 6.6806 9.7575 9.7575 9.9573 9.9573 10.1370 10.1370 10.9973 10.9973 11.5301 11.5301 k = 0.5000 0.2120 0.8406 ( 7370 PWs) bands (ev): -19.6548 -19.6548 -19.6517 -19.6517 -6.5381 -6.5381 -6.4220 -6.4220 -5.4639 -5.4639 -5.0301 -5.0301 -4.6725 -4.6725 -4.3733 -4.3733 -4.2897 -4.2897 -4.0725 -4.0725 -3.4786 -3.4786 -3.3766 -3.3766 2.5676 2.5676 3.0272 3.0272 3.1780 3.1780 3.7445 3.7445 3.9407 3.9407 4.6950 4.6950 5.1598 5.1598 5.6022 5.6022 5.7237 5.7237 6.2111 6.2111 6.2931 6.2931 6.6745 6.6745 9.6888 9.6888 9.8776 9.8776 10.0592 10.0592 11.0426 11.0426 11.5012 11.5012 k = 0.5000 0.2120 0.8135 ( 7364 PWs) bands (ev): -19.6550 -19.6550 -19.6523 -19.6523 -6.5426 -6.5426 -6.4212 -6.4212 -5.4803 -5.4803 -5.0346 -5.0346 -4.6789 -4.6789 -4.3613 -4.3613 -4.2975 -4.2975 -4.0844 -4.0844 -3.4678 -3.4678 -3.3657 -3.3657 2.6238 2.6238 3.1030 3.1030 3.2247 3.2247 3.7450 3.7450 3.9621 3.9621 4.6934 4.6934 5.1410 5.1410 5.6028 5.6028 5.7010 5.7010 6.2291 6.2291 6.2546 6.2546 6.6674 6.6674 9.6214 9.6214 9.7964 9.7964 9.9803 9.9803 11.0890 11.0890 11.4726 11.4726 k = 0.5000 0.2120 0.7864 ( 7366 PWs) bands (ev): -19.6553 -19.6553 -19.6529 -19.6529 -6.5473 -6.5473 -6.4204 -6.4204 -5.4968 -5.4968 -5.0385 -5.0385 -4.6850 -4.6850 -4.3510 -4.3510 -4.3029 -4.3029 -4.0961 -4.0961 -3.4588 -3.4588 -3.3558 -3.3558 2.6787 2.6787 3.1853 3.1853 3.2726 3.2726 3.7468 3.7468 3.9852 3.9852 4.6918 4.6918 5.1245 5.1245 5.6022 5.6022 5.6822 5.6822 6.2111 6.2111 6.2546 6.2546 6.6591 6.6591 9.5554 9.5554 9.7137 9.7137 9.9007 9.9007 11.1363 11.1363 11.4447 11.4447 k = 0.5000 0.2120 0.7593 ( 7362 PWs) bands (ev): -19.6555 -19.6555 -19.6535 -19.6535 -6.5520 -6.5520 -6.4194 -6.4194 -5.5133 -5.5133 -5.0418 -5.0418 -4.6907 -4.6907 -4.3447 -4.3447 -4.3037 -4.3037 -4.1077 -4.1077 -3.4517 -3.4517 -3.3473 -3.3473 2.7325 2.7325 3.2729 3.2729 3.3220 3.3220 3.7505 3.7505 4.0099 4.0099 4.6904 4.6904 5.1102 5.1102 5.6002 5.6002 5.6677 5.6677 6.1789 6.1789 6.2721 6.2721 6.6494 6.6494 9.4910 9.4910 9.6298 9.6298 9.8212 9.8212 11.1843 11.1843 11.4177 11.4177 k = 0.5000 0.2120 0.7321 ( 7372 PWs) bands (ev): -19.6558 -19.6558 -19.6542 -19.6542 -6.5568 -6.5568 -6.4183 -6.4183 -5.5298 -5.5298 -5.0445 -5.0445 -4.6958 -4.6958 -4.3437 -4.3437 -4.2984 -4.2984 -4.1191 -4.1191 -3.4466 -3.4466 -3.3403 -3.3403 2.7855 2.7855 3.3582 3.3582 3.3794 3.3794 3.7560 3.7560 4.0361 4.0361 4.6892 4.6892 5.0982 5.0982 5.5967 5.5967 5.6576 5.6576 6.1510 6.1510 6.2891 6.2891 6.6383 6.6383 9.4283 9.4283 9.5448 9.5448 9.7421 9.7421 11.2325 11.2325 11.3920 11.3920 k = 0.5000 0.2120 0.7050 ( 7364 PWs) bands (ev): -19.6560 -19.6560 -19.6548 -19.6548 -6.5618 -6.5618 -6.4170 -6.4170 -5.5462 -5.5462 -5.0465 -5.0465 -4.7003 -4.7003 -4.3462 -4.3462 -4.2891 -4.2891 -4.1303 -4.1303 -3.4435 -3.4435 -3.3350 -3.3350 2.8380 2.8380 3.4147 3.4147 3.4702 3.4702 3.7638 3.7638 4.0639 4.0639 4.6883 4.6883 5.0885 5.0885 5.5917 5.5917 5.6521 5.6521 6.1286 6.1286 6.3048 6.3048 6.6255 6.6255 9.3671 9.3671 9.4589 9.4589 9.6642 9.6642 11.2789 11.2789 11.3684 11.3684 k = 0.5000 0.2120 0.6779 ( 7360 PWs) bands (ev): -19.6563 -19.6563 -19.6555 -19.6555 -6.5667 -6.5667 -6.4156 -6.4156 -5.5625 -5.5625 -5.0478 -5.0478 -4.7039 -4.7039 -4.3498 -4.3498 -4.2781 -4.2781 -4.1413 -4.1413 -3.4424 -3.4424 -3.3315 -3.3315 2.8902 2.8902 3.4638 3.4638 3.5716 3.5716 3.7739 3.7739 4.0932 4.0932 4.6878 4.6878 5.0811 5.0811 5.5854 5.5854 5.6513 5.6513 6.1123 6.1123 6.3191 6.3191 6.6108 6.6108 9.3073 9.3073 9.3727 9.3727 9.5879 9.5879 11.2861 11.2861 11.3375 11.3375 k = 0.5000 0.2120 0.6508 ( 7350 PWs) bands (ev): -19.6566 -19.6566 -19.6562 -19.6562 -6.5718 -6.5718 -6.4140 -6.4140 -5.5785 -5.5785 -5.0484 -5.0484 -4.7068 -4.7068 -4.3534 -4.3534 -4.2667 -4.2667 -4.1518 -4.1518 -3.4435 -3.4435 -3.3298 -3.3298 2.9424 2.9424 3.5112 3.5112 3.6768 3.6768 3.7866 3.7866 4.1240 4.1240 4.6877 4.6877 5.0761 5.0761 5.5782 5.5782 5.6553 5.6553 6.1023 6.1023 6.3316 6.3316 6.5940 6.5940 9.2470 9.2470 9.2881 9.2881 9.5137 9.5137 11.1691 11.1691 11.3174 11.3174 k = 0.5000 0.2120 0.6237 ( 7356 PWs) bands (ev): -19.6569 -19.6569 -19.6568 -19.6568 -6.5769 -6.5769 -6.4123 -6.4123 -5.5942 -5.5942 -5.0483 -5.0483 -4.7087 -4.7087 -4.3564 -4.3564 -4.2558 -4.2558 -4.1615 -4.1615 -3.4466 -3.4466 -3.3302 -3.3302 2.9948 2.9948 3.5570 3.5570 3.7828 3.7828 3.8035 3.8035 4.1563 4.1563 4.6882 4.6882 5.0735 5.0735 5.5705 5.5705 5.6641 5.6641 6.0987 6.0987 6.3424 6.3424 6.5750 6.5750 9.1774 9.1774 9.2140 9.2140 9.4421 9.4421 11.0424 11.0424 11.2978 11.2978 k = 0.5000 0.2120 0.5966 ( 7348 PWs) bands (ev): -19.6575 -19.6575 -19.6571 -19.6571 -6.5820 -6.5820 -6.4105 -6.4105 -5.6096 -5.6096 -5.0475 -5.0475 -4.7098 -4.7098 -4.3586 -4.3586 -4.2460 -4.2460 -4.1701 -4.1701 -3.4518 -3.4518 -3.3326 -3.3326 3.0473 3.0473 3.6008 3.6008 3.8181 3.8181 3.8954 3.8954 4.1901 4.1901 4.6895 4.6895 5.0733 5.0733 5.5628 5.5628 5.6780 5.6780 6.1011 6.1011 6.3511 6.3511 6.5535 6.5535 9.0931 9.0931 9.1563 9.1563 9.3735 9.3735 10.9172 10.9172 11.2790 11.2790 k = 0.5000 0.2120 0.5694 ( 7334 PWs) bands (ev): -19.6582 -19.6582 -19.6574 -19.6574 -6.5872 -6.5872 -6.4086 -6.4086 -5.6244 -5.6244 -5.0460 -5.0460 -4.7100 -4.7100 -4.3600 -4.3600 -4.2381 -4.2381 -4.1767 -4.1767 -3.4590 -3.4590 -3.3370 -3.3370 3.1000 3.1000 3.6422 3.6422 3.8384 3.8384 4.0059 4.0059 4.2253 4.2253 4.6917 4.6917 5.0756 5.0756 5.5559 5.5559 5.6969 5.6969 6.1093 6.1093 6.3575 6.3575 6.5295 6.5295 9.0031 9.0031 9.1058 9.1058 9.3084 9.3084 10.7944 10.7944 11.2614 11.2614 k = 0.5000 0.2120 0.5423 ( 7340 PWs) bands (ev): -19.6589 -19.6589 -19.6576 -19.6576 -6.5924 -6.5924 -6.4065 -6.4065 -5.6387 -5.6387 -5.0439 -5.0439 -4.7094 -4.7094 -4.3605 -4.3605 -4.2336 -4.2336 -4.1799 -4.1799 -3.4680 -3.4680 -3.3435 -3.3435 3.1528 3.1528 3.6807 3.6807 3.8609 3.8609 4.1167 4.1167 4.2621 4.2621 4.6952 4.6952 5.0804 5.0804 5.5505 5.5505 5.7209 5.7209 6.1229 6.1229 6.3615 6.3615 6.5027 6.5027 8.9110 8.9110 9.0594 9.0594 9.2471 9.2471 10.6744 10.6744 11.2443 11.2443 k = 0.5000 0.2120 0.5152 ( 7332 PWs) bands (ev): -19.6595 -19.6595 -19.6579 -19.6579 -6.5976 -6.5976 -6.4043 -6.4043 -5.6524 -5.6524 -5.0412 -5.0412 -4.7079 -4.7079 -4.3602 -4.3602 -4.2333 -4.2333 -4.1788 -4.1788 -3.4790 -3.4790 -3.3519 -3.3519 3.2057 3.2057 3.7160 3.7160 3.8854 3.8854 4.2267 4.2267 4.3003 4.3003 4.7006 4.7006 5.0878 5.0878 5.5471 5.5471 5.7498 5.7498 6.1413 6.1413 6.3628 6.3628 6.4733 6.4733 8.8176 8.8176 9.0165 9.0165 9.1898 9.1898 10.5576 10.5576 11.2196 11.2197 k = 0.5000 0.2120 0.4881 ( 7344 PWs) bands (ev): -19.6602 -19.6602 -19.6582 -19.6582 -6.6028 -6.6028 -6.4020 -6.4020 -5.6655 -5.6655 -5.0379 -5.0379 -4.7056 -4.7056 -4.3592 -4.3592 -4.2364 -4.2364 -4.1741 -4.1741 -3.4916 -3.4916 -3.3622 -3.3622 3.2584 3.2584 3.7480 3.7480 3.9118 3.9118 4.3338 4.3338 4.3403 4.3403 4.7088 4.7088 5.0980 5.0980 5.5464 5.5464 5.7836 5.7836 6.1643 6.1643 6.3611 6.3611 6.4413 6.4413 8.7231 8.7231 8.9770 8.9770 9.1369 9.1369 10.4441 10.4441 11.1594 11.1594 k = 0.5000 0.2120 0.4610 ( 7340 PWs) bands (ev): -19.6608 -19.6608 -19.6584 -19.6584 -6.6080 -6.6080 -6.3996 -6.3996 -5.6779 -5.6779 -5.0340 -5.0340 -4.7027 -4.7027 -4.3574 -4.3574 -4.2412 -4.2412 -4.1674 -4.1674 -3.5058 -3.5058 -3.3742 -3.3742 3.3108 3.3108 3.7764 3.7764 3.9396 3.9396 4.3808 4.3808 4.4361 4.4361 4.7224 4.7224 5.1109 5.1109 5.5485 5.5485 5.8221 5.8221 6.1914 6.1914 6.3553 6.3553 6.4076 6.4076 8.6279 8.6279 8.9410 8.9410 9.0884 9.0884 10.3342 10.3342 11.0917 11.0917 k = 0.5000 0.2120 0.4339 ( 7336 PWs) bands (ev): -19.6614 -19.6614 -19.6587 -19.6587 -6.6132 -6.6132 -6.3972 -6.3972 -5.6895 -5.6895 -5.0297 -5.0297 -4.6991 -4.6991 -4.3552 -4.3552 -4.2463 -4.2463 -4.1598 -4.1598 -3.5213 -3.5213 -3.3878 -3.3878 3.3627 3.3627 3.8012 3.8012 3.9685 3.9685 4.4232 4.4232 4.5263 4.5263 4.7470 4.7470 5.1267 5.1267 5.5535 5.5535 5.8650 5.8650 6.2222 6.2222 6.3420 6.3420 6.3756 6.3756 8.5320 8.5320 8.9085 8.9085 9.0444 9.0444 10.2281 10.2281 11.0267 11.0267 k = 0.5000 0.2120 0.4067 ( 7334 PWs) bands (ev): -19.6620 -19.6620 -19.6589 -19.6589 -6.6183 -6.6183 -6.3947 -6.3947 -5.7003 -5.7003 -5.0250 -5.0250 -4.6950 -4.6950 -4.3525 -4.3525 -4.2510 -4.2510 -4.1522 -4.1522 -3.5381 -3.5381 -3.4029 -3.4029 3.4137 3.4137 3.8225 3.8225 3.9980 3.9980 4.4668 4.4668 4.5940 4.5940 4.7928 4.7928 5.1456 5.1456 5.5616 5.5616 5.9121 5.9121 6.2560 6.2560 6.3132 6.3132 6.3539 6.3539 8.4356 8.4356 8.8797 8.8797 9.0050 9.0050 10.1260 10.1260 10.9656 10.9656 k = 0.5000 0.2120 0.3796 ( 7334 PWs) bands (ev): -19.6625 -19.6625 -19.6592 -19.6592 -6.6234 -6.6234 -6.3922 -6.3922 -5.7104 -5.7104 -5.0199 -5.0199 -4.6905 -4.6905 -4.3497 -4.3497 -4.2546 -4.2546 -4.1447 -4.1447 -3.5558 -3.5558 -3.4193 -3.4193 3.4636 3.4636 3.8404 3.8404 4.0277 4.0277 4.5116 4.5116 4.6342 4.6342 4.8641 4.8641 5.1676 5.1676 5.5723 5.5723 5.9631 5.9631 6.2715 6.2715 6.2920 6.2920 6.3403 6.3403 8.3391 8.3391 8.8545 8.8545 8.9700 8.9700 10.0281 10.0281 10.9087 10.9087 k = 0.5000 0.2120 0.3525 ( 7348 PWs) bands (ev): -19.6631 -19.6631 -19.6594 -19.6594 -6.6283 -6.6283 -6.3898 -6.3898 -5.7196 -5.7196 -5.0145 -5.0145 -4.6857 -4.6857 -4.3469 -4.3469 -4.2568 -4.2568 -4.1377 -4.1377 -3.5742 -3.5742 -3.4367 -3.4367 3.5120 3.5120 3.8553 3.8553 4.0571 4.0571 4.5574 4.5574 4.6564 4.6564 4.9510 4.9510 5.1928 5.1928 5.5853 5.5853 6.0176 6.0176 6.2267 6.2267 6.3078 6.3078 6.3472 6.3472 8.2425 8.2425 8.8330 8.8330 8.9393 8.9393 9.9346 9.9346 10.8561 10.8561 k = 0.5000 0.2120 0.3254 ( 7346 PWs) bands (ev): -19.6636 -19.6636 -19.6596 -19.6596 -6.6331 -6.6331 -6.3873 -6.3873 -5.7281 -5.7281 -5.0090 -5.0090 -4.6808 -4.6808 -4.3443 -4.3443 -4.2574 -4.2574 -4.1312 -4.1312 -3.5931 -3.5931 -3.4549 -3.4549 3.5586 3.5586 3.8674 3.8674 4.0858 4.0858 4.6038 4.6038 4.6705 4.6705 5.0431 5.0431 5.2213 5.2213 5.6002 5.6002 6.0749 6.0749 6.1785 6.1785 6.2932 6.2932 6.3851 6.3851 8.1462 8.1462 8.8150 8.8150 8.9128 8.9128 9.8459 9.8459 10.8080 10.8080 k = 0.5000 0.2120 0.2983 ( 7340 PWs) bands (ev): -19.6641 -19.6641 -19.6598 -19.6598 -6.6377 -6.6377 -6.3849 -6.3849 -5.7357 -5.7357 -5.0034 -5.0034 -4.6759 -4.6759 -4.3417 -4.3417 -4.2562 -4.2562 -4.1254 -4.1254 -3.6122 -3.6122 -3.4736 -3.4736 3.6030 3.6030 3.8770 3.8770 4.1135 4.1135 4.6492 4.6492 4.6825 4.6825 5.1349 5.1349 5.2532 5.2532 5.6165 5.6165 6.1244 6.1244 6.1380 6.1380 6.2719 6.2719 6.4294 6.4294 8.0504 8.0504 8.8005 8.8005 8.8902 8.8902 9.7621 9.7621 10.7643 10.7643 k = 0.5000 0.2120 0.2712 ( 7342 PWs) bands (ev): -19.6645 -19.6645 -19.6600 -19.6600 -6.6421 -6.6421 -6.3826 -6.3826 -5.7426 -5.7426 -4.9978 -4.9978 -4.6713 -4.6713 -4.3393 -4.3393 -4.2535 -4.2535 -4.1203 -4.1203 -3.6312 -3.6312 -3.4925 -3.4925 3.6447 3.6447 3.8847 3.8847 4.1398 4.1398 4.6793 4.6793 4.7085 4.7085 5.2234 5.2234 5.2888 5.2888 5.6337 5.6337 6.0753 6.0753 6.1929 6.1929 6.2507 6.2507 6.4758 6.4758 7.9554 7.9554 8.7892 8.7892 8.8713 8.8713 9.6835 9.6835 10.7251 10.7251 k = 0.5000 0.2120 0.2440 ( 7346 PWs) bands (ev): -19.6649 -19.6649 -19.6602 -19.6602 -6.6462 -6.6462 -6.3803 -6.3803 -5.7487 -5.7487 -4.9922 -4.9922 -4.6669 -4.6669 -4.3368 -4.3368 -4.2494 -4.2494 -4.1159 -4.1159 -3.6497 -3.6497 -3.5114 -3.5114 3.6833 3.6833 3.8910 3.8910 4.1643 4.1643 4.6890 4.6890 4.7541 4.7541 5.3039 5.3039 5.3310 5.3310 5.6513 5.6513 6.0222 6.0222 6.2059 6.2059 6.2726 6.2726 6.5231 6.5231 7.8615 7.8615 8.7808 8.7808 8.8558 8.8558 9.6105 9.6105 10.6901 10.6901 k = 0.5000 0.2120 0.2169 ( 7338 PWs) bands (ev): -19.6653 -19.6653 -19.6603 -19.6603 -6.6500 -6.6500 -6.3783 -6.3783 -5.7541 -5.7541 -4.9869 -4.9869 -4.6630 -4.6630 -4.3341 -4.3341 -4.2443 -4.2443 -4.1123 -4.1123 -3.6674 -3.6674 -3.5298 -3.5298 3.7181 3.7181 3.8963 3.8963 4.1867 4.1867 4.6951 4.6951 4.8025 4.8025 5.3599 5.3599 5.3949 5.3949 5.6689 5.6689 5.9688 5.9688 6.1774 6.1774 6.3340 6.3340 6.5704 6.5704 7.7693 7.7693 8.7748 8.7748 8.8435 8.8435 9.5432 9.5432 10.6593 10.6593 k = 0.5000 0.2120 0.1898 ( 7342 PWs) bands (ev): -19.6656 -19.6656 -19.6605 -19.6605 -6.6535 -6.6535 -6.3764 -6.3764 -5.7587 -5.7587 -4.9819 -4.9819 -4.6596 -4.6596 -4.3311 -4.3311 -4.2387 -4.2387 -4.1095 -4.1095 -3.6840 -3.6840 -3.5474 -3.5474 3.7487 3.7487 3.9013 3.9013 4.2069 4.2069 4.6999 4.6999 4.8511 4.8511 5.4045 5.4045 5.4655 5.4655 5.6862 5.6862 5.9156 5.9156 6.1430 6.1430 6.3990 6.3990 6.6168 6.6168 7.6790 7.6790 8.7709 8.7709 8.8341 8.8341 9.4822 9.4822 10.6325 10.6325 k = 0.5000 0.2120 0.1627 ( 7348 PWs) bands (ev): -19.6659 -19.6659 -19.6606 -19.6606 -6.6565 -6.6565 -6.3746 -6.3746 -5.7627 -5.7627 -4.9773 -4.9773 -4.6567 -4.6567 -4.3277 -4.3277 -4.2329 -4.2329 -4.1073 -4.1073 -3.6991 -3.6991 -3.5639 -3.5639 3.7745 3.7745 3.9064 3.9064 4.2246 4.2246 4.7040 4.7040 4.8989 4.8989 5.4491 5.4491 5.5296 5.5296 5.7031 5.7031 5.8639 5.8639 6.1056 6.1056 6.4638 6.4638 6.6615 6.6615 7.5914 7.5914 8.7686 8.7686 8.8272 8.8272 9.4278 9.4278 10.6096 10.6096 k = 0.5000 0.2120 0.1356 ( 7354 PWs) bands (ev): -19.6661 -19.6661 -19.6607 -19.6607 -6.6592 -6.6592 -6.3731 -6.3731 -5.7660 -5.7660 -4.9731 -4.9731 -4.6544 -4.6544 -4.3241 -4.3241 -4.2274 -4.2274 -4.1057 -4.1057 -3.7125 -3.7125 -3.5788 -3.5788 3.7951 3.7951 3.9122 3.9122 4.2398 4.2398 4.7074 4.7074 4.9448 4.9448 5.4940 5.4940 5.5845 5.5845 5.7197 5.7197 5.8147 5.8147 6.0664 6.0664 6.5268 6.5268 6.7037 6.7037 7.5073 7.5073 8.7672 8.7672 8.8225 8.8225 9.3806 9.3806 10.5905 10.5906 k = 0.5000 0.2120 0.1085 ( 7362 PWs) bands (ev): -19.6663 -19.6663 -19.6608 -19.6608 -6.6615 -6.6615 -6.3719 -6.3719 -5.7687 -5.7687 -4.9696 -4.9696 -4.6527 -4.6527 -4.3205 -4.3205 -4.2225 -4.2225 -4.1047 -4.1047 -3.7238 -3.7238 -3.5917 -3.5917 3.8104 3.8104 3.9184 3.9184 4.2523 4.2523 4.7102 4.7102 4.9875 4.9875 5.5380 5.5380 5.6286 5.6286 5.7362 5.7362 5.7702 5.7702 6.0262 6.0262 6.5859 6.5859 6.7430 6.7430 7.4280 7.4280 8.7665 8.7665 8.8198 8.8198 9.3409 9.3409 10.5627 10.5627 k = 0.5000 0.2120 0.0813 ( 7350 PWs) bands (ev): -19.6665 -19.6665 -19.6608 -19.6608 -6.6632 -6.6632 -6.3709 -6.3709 -5.7708 -5.7708 -4.9668 -4.9668 -4.6514 -4.6514 -4.3172 -4.3172 -4.2184 -4.2184 -4.1041 -4.1041 -3.7329 -3.7329 -3.6022 -3.6022 3.8210 3.8210 3.9247 3.9247 4.2620 4.2620 4.7123 4.7123 5.0251 5.0251 5.5784 5.5784 5.6607 5.6607 5.7333 5.7333 5.7525 5.7525 5.9867 5.9867 6.6378 6.6378 6.7794 6.7794 7.3559 7.3559 8.7661 8.7661 8.8184 8.8184 9.3094 9.3094 10.5135 10.5135 k = 0.5000 0.2120 0.0542 ( 7338 PWs) bands (ev): -19.6666 -19.6666 -19.6609 -19.6609 -6.6645 -6.6645 -6.3702 -6.3702 -5.7722 -5.7722 -4.9647 -4.9647 -4.6505 -4.6505 -4.3146 -4.3146 -4.2154 -4.2154 -4.1037 -4.1037 -3.7394 -3.7394 -3.6101 -3.6101 3.8277 3.8277 3.9300 3.9300 4.2690 4.2690 4.7139 4.7139 5.0553 5.0553 5.6096 5.6096 5.6809 5.6809 5.7097 5.7097 5.7671 5.7671 5.9506 5.9506 6.6783 6.6783 6.8121 6.8121 7.2948 7.2948 8.7658 8.7658 8.8178 8.8178 9.2865 9.2865 10.4779 10.4779 k = 0.5000 0.2120 0.0271 ( 7338 PWs) bands (ev): -19.6667 -19.6667 -19.6609 -19.6609 -6.6653 -6.6653 -6.3697 -6.3697 -5.7731 -5.7731 -4.9634 -4.9634 -4.6500 -4.6500 -4.3128 -4.3128 -4.2135 -4.2135 -4.1036 -4.1036 -3.7434 -3.7434 -3.6149 -3.6149 3.8314 3.8314 3.9337 3.9337 4.2732 4.2732 4.7148 4.7148 5.0751 5.0751 5.6238 5.6238 5.6915 5.6915 5.7044 5.7044 5.7775 5.7775 5.9232 5.9232 6.7037 6.7037 6.8375 6.8375 7.2516 7.2516 8.7657 8.7657 8.8177 8.8177 9.2726 9.2726 10.4563 10.4563 k = 0.5000 0.2120 0.0000 ( 7334 PWs) bands (ev): -19.6667 -19.6667 -19.6609 -19.6609 -6.6655 -6.6655 -6.3696 -6.3696 -5.7734 -5.7734 -4.9630 -4.9630 -4.6498 -4.6498 -4.3122 -4.3122 -4.2129 -4.2129 -4.1035 -4.1035 -3.7448 -3.7448 -3.6165 -3.6165 3.8325 3.8325 3.9350 3.9350 4.2746 4.2746 4.7151 4.7151 5.0820 5.0820 5.6258 5.6258 5.6953 5.6953 5.7061 5.7061 5.7812 5.7812 5.9124 5.9124 6.7123 6.7123 6.8476 6.8476 7.2355 7.2355 8.7657 8.7657 8.8177 8.8177 9.2679 9.2679 10.4491 10.4491 k = 0.0000 0.0000 1.2811 ( 7394 PWs) bands (ev): -19.6529 -19.6529 -19.6464 -19.6464 -6.4960 -6.4960 -6.4246 -6.4246 -5.2950 -5.2950 -4.9344 -4.9344 -4.6803 -4.6803 -4.4376 -4.4376 -4.2044 -4.2044 -3.8179 -3.8179 -3.7740 -3.7740 -3.5290 -3.5290 1.9085 1.9085 2.5559 2.5559 2.7606 2.7606 3.7351 3.7351 3.8353 3.8353 4.7128 4.7128 5.5521 5.5521 5.5880 5.5880 5.8537 5.8537 6.1443 6.1443 6.7101 6.7101 6.8436 6.8436 10.5866 10.5866 10.6420 10.6420 10.7102 10.7102 10.8252 10.8252 11.6133 11.6133 k = 0.0250 0.0106 1.2811 ( 7394 PWs) bands (ev): -19.6529 -19.6529 -19.6464 -19.6464 -6.4960 -6.4960 -6.4246 -6.4246 -5.2950 -5.2950 -4.9347 -4.9347 -4.6796 -4.6796 -4.4377 -4.4377 -4.2055 -4.2055 -3.8179 -3.8179 -3.7720 -3.7720 -3.5302 -3.5302 1.9087 1.9087 2.5560 2.5560 2.7606 2.7606 3.7353 3.7353 3.8352 3.8352 4.7114 4.7114 5.5534 5.5534 5.5889 5.5889 5.8490 5.8490 6.1506 6.1506 6.7073 6.7073 6.8436 6.8436 10.5868 10.5868 10.6421 10.6421 10.7117 10.7117 10.8298 10.8298 11.6141 11.6141 k = 0.0500 0.0212 1.2811 ( 7374 PWs) bands (ev): -19.6529 -19.6529 -19.6464 -19.6464 -6.4961 -6.4961 -6.4246 -6.4246 -5.2950 -5.2950 -4.9355 -4.9355 -4.6776 -4.6776 -4.4380 -4.4380 -4.2086 -4.2086 -3.8179 -3.8179 -3.7664 -3.7664 -3.5337 -3.5337 1.9091 1.9091 2.5562 2.5562 2.7606 2.7606 3.7357 3.7357 3.8348 3.8348 4.7076 4.7076 5.5573 5.5573 5.5913 5.5913 5.8362 5.8362 6.1683 6.1683 6.6989 6.6989 6.8436 6.8436 10.5877 10.5877 10.6425 10.6425 10.7160 10.7160 10.8434 10.8434 11.6166 11.6166 k = 0.0750 0.0318 1.2811 ( 7382 PWs) bands (ev): -19.6529 -19.6529 -19.6464 -19.6464 -6.4961 -6.4961 -6.4245 -6.4245 -5.2950 -5.2950 -4.9367 -4.9367 -4.6745 -4.6745 -4.4385 -4.4385 -4.2134 -4.2134 -3.8180 -3.8180 -3.7573 -3.7573 -3.5395 -3.5395 1.9098 1.9098 2.5565 2.5565 2.7606 2.7606 3.7364 3.7364 3.8341 3.8341 4.7017 4.7017 5.5634 5.5634 5.5954 5.5954 5.8177 5.8177 6.1949 6.1949 6.6850 6.6850 6.8435 6.8435 10.5891 10.5891 10.6427 10.6427 10.7230 10.7230 10.8660 10.8660 11.6206 11.6206 k = 0.1000 0.0424 1.2811 ( 7388 PWs) bands (ev): -19.6529 -19.6529 -19.6464 -19.6464 -6.4962 -6.4962 -6.4244 -6.4244 -5.2951 -5.2951 -4.9382 -4.9382 -4.6705 -4.6705 -4.4392 -4.4392 -4.2194 -4.2194 -3.8180 -3.8180 -3.7453 -3.7453 -3.5475 -3.5475 1.9106 1.9106 2.5569 2.5569 2.7606 2.7606 3.7373 3.7373 3.8333 3.8333 4.6943 4.6943 5.5713 5.5713 5.6006 5.6006 5.7962 5.7962 6.2276 6.2276 6.6660 6.6660 6.8434 6.8434 10.5910 10.5910 10.6423 10.6423 10.7326 10.7326 10.8974 10.8974 11.6259 11.6259 k = 0.1250 0.0530 1.2811 ( 7402 PWs) bands (ev): -19.6529 -19.6529 -19.6464 -19.6464 -6.4962 -6.4962 -6.4243 -6.4243 -5.2951 -5.2951 -4.9398 -4.9398 -4.6661 -4.6661 -4.4400 -4.4400 -4.2258 -4.2258 -3.8180 -3.8180 -3.7311 -3.7311 -3.5574 -3.5574 1.9115 1.9115 2.5574 2.5574 2.7606 2.7606 3.7383 3.7383 3.8324 3.8324 4.6863 4.6863 5.5807 5.5807 5.6068 5.6068 5.7733 5.7733 6.2644 6.2644 6.6422 6.6422 6.8433 6.8433 10.5936 10.5936 10.6411 10.6411 10.7439 10.7439 10.9371 10.9371 11.6282 11.6282 k = 0.1500 0.0636 1.2811 ( 7402 PWs) bands (ev): -19.6529 -19.6529 -19.6464 -19.6464 -6.4963 -6.4963 -6.4242 -6.4242 -5.2951 -5.2951 -4.9414 -4.9414 -4.6616 -4.6616 -4.4409 -4.4409 -4.2321 -4.2321 -3.8181 -3.8181 -3.7153 -3.7153 -3.5690 -3.5690 1.9124 1.9124 2.5578 2.5578 2.7606 2.7606 3.7393 3.7393 3.8314 3.8314 4.6784 4.6784 5.5909 5.5909 5.6136 5.6136 5.7505 5.7505 6.3039 6.3039 6.6141 6.6141 6.8433 6.8433 10.5966 10.5966 10.6391 10.6391 10.7562 10.7562 10.9845 10.9845 11.5658 11.5658 k = 0.1750 0.0742 1.2811 ( 7396 PWs) bands (ev): -19.6529 -19.6529 -19.6464 -19.6464 -6.4964 -6.4964 -6.4242 -6.4242 -5.2951 -5.2951 -4.9428 -4.9428 -4.6575 -4.6575 -4.4417 -4.4417 -4.2377 -4.2377 -3.8181 -3.8181 -3.6988 -3.6988 -3.5819 -3.5819 1.9132 1.9132 2.5582 2.5582 2.7606 2.7606 3.7403 3.7403 3.8306 3.8306 4.6713 4.6713 5.6012 5.6012 5.6211 5.6211 5.7286 5.7286 6.3449 6.3449 6.5823 6.5823 6.8432 6.8432 10.5998 10.5998 10.6365 10.6365 10.7680 10.7680 11.0391 11.0391 11.4815 11.4815 k = 0.2000 0.0848 1.2811 ( 7380 PWs) bands (ev): -19.6529 -19.6529 -19.6464 -19.6464 -6.4964 -6.4964 -6.4241 -6.4241 -5.2951 -5.2951 -4.9439 -4.9439 -4.6542 -4.6542 -4.4424 -4.4424 -4.2420 -4.2420 -3.8181 -3.8181 -3.6827 -3.6827 -3.5952 -3.5952 1.9139 1.9139 2.5586 2.5586 2.7606 2.7606 3.7410 3.7410 3.8299 3.8299 4.6658 4.6658 5.6099 5.6099 5.6296 5.6296 5.7086 5.7086 6.3866 6.3866 6.5473 6.5473 6.8432 6.8432 10.6029 10.6029 10.6338 10.6338 10.7779 10.7779 11.0999 11.0999 11.3990 11.3990 k = 0.2250 0.0954 1.2811 ( 7382 PWs) bands (ev): -19.6529 -19.6529 -19.6464 -19.6464 -6.4964 -6.4964 -6.4240 -6.4240 -5.2951 -5.2951 -4.9446 -4.9446 -4.6520 -4.6520 -4.4429 -4.4429 -4.2448 -4.2448 -3.8181 -3.8181 -3.6689 -3.6689 -3.6072 -3.6072 1.9143 1.9143 2.5588 2.5588 2.7606 2.7606 3.7415 3.7415 3.8294 3.8294 4.6623 4.6623 5.6153 5.6153 5.6391 5.6391 5.6921 5.6921 6.4281 6.4281 6.5099 6.5099 6.8432 6.8432 10.6053 10.6053 10.6316 10.6316 10.7845 10.7845 11.1656 11.1656 11.3201 11.3201 k = 0.2500 0.1060 1.2811 ( 7392 PWs) bands (ev): -19.6529 -19.6529 -19.6464 -19.6464 -6.4964 -6.4964 -6.4240 -6.4240 -5.2951 -5.2951 -4.9449 -4.9449 -4.6513 -4.6513 -4.4431 -4.4431 -4.2457 -4.2457 -3.8181 -3.8181 -3.6627 -3.6627 -3.6128 -3.6128 1.9144 1.9144 2.5589 2.5589 2.7606 2.7606 3.7417 3.7417 3.8292 3.8292 4.6611 4.6611 5.6170 5.6170 5.6444 5.6444 5.6845 5.6845 6.4630 6.4630 6.4763 6.4763 6.8432 6.8432 10.6063 10.6063 10.6306 10.6306 10.7868 10.7868 11.2200 11.2200 11.2614 11.2614 Writing output data file Ba2ZrS4.save init_run : 0.32s CPU 0.52s WALL ( 1 calls) electrons : 593.73s CPU 597.29s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.03s CPU 0.10s WALL ( 1 calls) Called by electrons: c_bands : 593.72s CPU 597.28s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.01s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.01s WALL ( 1 calls) newd : 0.09s CPU 0.12s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.14s CPU 0.14s WALL ( 287 calls) cegterg : 550.26s CPU 553.16s WALL ( 672 calls) Called by sum_band: Called by *egterg: h_psi : 451.70s CPU 453.84s WALL ( 11598 calls) s_psi : 13.99s CPU 13.69s WALL ( 11598 calls) g_psi : 0.46s CPU 0.50s WALL ( 10639 calls) cdiaghg : 82.77s CPU 83.95s WALL ( 10926 calls) cegterg:over : 13.59s CPU 13.38s WALL ( 10639 calls) cegterg:upda : 14.09s CPU 14.31s WALL ( 10639 calls) cegterg:last : 6.41s CPU 6.35s WALL ( 1533 calls) cdiaghg:chol : 4.69s CPU 4.86s WALL ( 10926 calls) cdiaghg:inve : 3.28s CPU 3.18s WALL ( 10926 calls) cdiaghg:para : 5.21s CPU 5.31s WALL ( 21852 calls) Called by h_psi: h_psi:vloc : 421.83s CPU 423.76s WALL ( 11598 calls) h_psi:vnl : 29.25s CPU 29.46s WALL ( 11598 calls) add_vuspsi : 15.42s CPU 15.68s WALL ( 11598 calls) General routines calbec : 13.78s CPU 13.75s WALL ( 11598 calls) fft : 0.00s CPU 0.01s WALL ( 15 calls) fftw : 400.35s CPU 402.77s WALL ( 993988 calls) davcio : 0.23s CPU 0.35s WALL ( 574 calls) Parallel routines fft_scatter : 87.48s CPU 88.66s WALL ( 994003 calls) PWSCF : 10m16.36s CPU 10m33.13s WALL This run was terminated on: 14:34:44 3Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=