Program PWSCF v.5.3.0 (svn rev. 11974) starts on 5Jan2017 at 21:10:47 This program is part of the open-source Quantum ESPRESSO suite for quantum simulation of materials; please cite "P. Giannozzi et al., J. Phys.:Condens. Matter 21 395502 (2009); URL http://www.quantum-espresso.org", in publications or presentations arising from this work. More details at http://www.quantum-espresso.org/quote Parallel version (MPI), 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: ./Rb2Te2Pt.save/ file Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 5S 5P renormalized file Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF: wavefunction(s) 4S renormalized file Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF: wavefunction(s) 6S 5D 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 163 61 18 4897 1130 177 Max 164 62 19 4900 1147 179 Sum 5891 2223 649 176353 41077 6423 bravais-lattice index = 14 lattice parameter (alat) = 13.1809 a.u. unit-cell volume = 1159.1413 (a.u.)^3 number of atoms/cell = 5 number of atomic types = 3 number of electrons = 40.00 number of Kohn-Sham states= 48 kinetic-energy cutoff = 41.0000 Ry charge density cutoff = 433.0000 Ry Exchange-correlation = PBE ( 1 4 3 4 0 0) Non magnetic calculation with spin-orbit celldm(1)= 13.180877 celldm(2)= 1.000000 celldm(3)= 1.000000 celldm(4)= -0.835974 celldm(5)= -0.330360 celldm(6)= 0.166334 crystal axes: (cart. coord. in units of alat) a(1) = ( 1.000000 0.000000 0.000000 ) a(2) = ( 0.166334 0.986069 0.000000 ) a(3) = ( -0.330360 -0.792058 0.513329 ) reciprocal axes: (cart. coord. in units 2 pi/alat) b(1) = ( 1.000000 -0.168684 0.383287 ) b(2) = ( 0.000000 1.014127 1.564780 ) b(3) = ( 0.000000 0.000000 1.948068 ) PseudoPot. # 1 for Te read from file: /users/gautes/Pseudo/Te.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: d7fe42880ce6991a805b4693d1f2335c 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 1245 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 Rb read from file: /users/gautes/Pseudo/Rb.rel-pbe-spn-rrkjus_psl.1.0.0.UPF MD5 check sum: 948b8f0a9070089a35782939cf30e963 Pseudo is Ultrasoft + core correction, Zval = 9.0 Generated using "atomic" code by A. Dal Corso v.5.0.2 svn rev. 9656 Using radial grid of 1219 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. # 3 for Pt read from file: /users/gautes/Pseudo/Pt.rel-pbe-n-rrkjus_psl.1.0.0.UPF MD5 check sum: 5a767c0d250ba2b616d7addddc548ecc 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 1277 points, 10 beta functions with: l(1) = 0 l(2) = 0 l(3) = 1 l(4) = 1 l(5) = 1 l(6) = 1 l(7) = 2 l(8) = 2 l(9) = 2 l(10) = 2 Q(r) pseudized with 0 coefficients atomic species valence mass pseudopotential Te 6.00 127.60000 Te( 1.00) Rb 9.00 85.46780 Rb( 1.00) Pt 10.00 195.08400 Pt( 1.00) 2 Sym. Ops., with inversion, found s frac. trans. isym = 1 identity cryst. s( 1) = ( 1 0 0 ) ( 0 1 0 ) ( 0 0 1 ) cart. s( 1) = ( 1.0000000 0.0000000 -0.0000000 ) ( 0.0000000 1.0000000 0.0000000 ) ( 0.0000000 0.0000000 1.0000000 ) isym = 2 inversion cryst. s( 2) = ( -1 0 0 ) ( 0 -1 0 ) ( 0 0 -1 ) cart. s( 2) = ( -1.0000000 0.0000000 0.0000000 ) ( 0.0000000 -1.0000000 -0.0000000 ) ( 0.0000000 0.0000000 -1.0000000 ) double point group C_i (-1) there are 4 classes and 2 irreducible representations the character table: E -E i -i G_2+ 1.00 -1.00 1.00 -1.00 G_2- 1.00 -1.00 -1.00 1.00 the symmetry operations in each class and the name of the first element: E 1 identity -E -1 identity E i 2 inversion -i -2 inversion E Cartesian axes number of k points= 328 Fermi-Dirac smearing, width (Ry)= 0.0010 cart. coord. in units 2pi/alat k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( -0.0063368 0.0074953 0.0198316), wk = 0.0030488 k( 3) = ( -0.0126737 0.0149906 0.0396631), wk = 0.0030488 k( 4) = ( -0.0190106 0.0224859 0.0594947), wk = 0.0030488 k( 5) = ( -0.0253474 0.0299812 0.0793263), wk = 0.0030488 k( 6) = ( -0.0316843 0.0374765 0.0991578), wk = 0.0030488 k( 7) = ( -0.0380211 0.0449718 0.1189894), wk = 0.0030488 k( 8) = ( -0.0443580 0.0524671 0.1388210), wk = 0.0030488 k( 9) = ( -0.0506948 0.0599624 0.1586526), wk = 0.0030488 k( 10) = ( -0.0570317 0.0674577 0.1784841), wk = 0.0030488 k( 11) = ( -0.0633685 0.0749530 0.1983157), wk = 0.0030488 k( 12) = ( -0.0697054 0.0824483 0.2181473), wk = 0.0030488 k( 13) = ( -0.0760423 0.0899436 0.2379788), wk = 0.0030488 k( 14) = ( -0.0823791 0.0974389 0.2578104), wk = 0.0030488 k( 15) = ( -0.0887160 0.1049342 0.2776419), wk = 0.0030488 k( 16) = ( -0.0950528 0.1124295 0.2974735), wk = 0.0030488 k( 17) = ( -0.1013897 0.1199248 0.3173051), wk = 0.0030488 k( 18) = ( -0.1077265 0.1274201 0.3371367), wk = 0.0030488 k( 19) = ( -0.1140634 0.1349154 0.3569682), wk = 0.0030488 k( 20) = ( -0.1204002 0.1424107 0.3767998), wk = 0.0030488 k( 21) = ( -0.1267371 0.1499060 0.3966314), wk = 0.0030488 k( 22) = ( -0.1330739 0.1574013 0.4164629), wk = 0.0030488 k( 23) = ( -0.1394108 0.1648967 0.4362945), wk = 0.0030488 k( 24) = ( -0.1457477 0.1723920 0.4561261), wk = 0.0030488 k( 25) = ( -0.1520845 0.1798873 0.4759576), wk = 0.0030488 k( 26) = ( -0.1584214 0.1873826 0.4957892), wk = 0.0030488 k( 27) = ( -0.1647582 0.1948779 0.5156208), wk = 0.0030488 k( 28) = ( -0.1710951 0.2023732 0.5354523), wk = 0.0030488 k( 29) = ( -0.1774319 0.2098685 0.5552839), wk = 0.0030488 k( 30) = ( -0.1837688 0.2173638 0.5751155), wk = 0.0030488 k( 31) = ( -0.1901056 0.2248591 0.5949470), wk = 0.0030488 k( 32) = ( -0.1964425 0.2323544 0.6147786), wk = 0.0030488 k( 33) = ( -0.2027793 0.2398497 0.6346102), wk = 0.0030488 k( 34) = ( -0.2091162 0.2473450 0.6544418), wk = 0.0030488 k( 35) = ( -0.2154531 0.2548403 0.6742733), wk = 0.0030488 k( 36) = ( -0.2217899 0.2623356 0.6941049), wk = 0.0030488 k( 37) = ( -0.2281268 0.2698309 0.7139365), wk = 0.0030488 k( 38) = ( -0.2344636 0.2773262 0.7337680), wk = 0.0030488 k( 39) = ( -0.2408005 0.2848215 0.7535996), wk = 0.0030488 k( 40) = ( -0.2471373 0.2923168 0.7734311), wk = 0.0030488 k( 41) = ( -0.2534742 0.2998121 0.7932627), wk = 0.0030488 k( 42) = ( -0.2598110 0.3073074 0.8130943), wk = 0.0030488 k( 43) = ( -0.2661479 0.3148027 0.8329259), wk = 0.0030488 k( 44) = ( -0.2724847 0.3222980 0.8527574), wk = 0.0030488 k( 45) = ( -0.2788216 0.3297933 0.8725890), wk = 0.0030488 k( 46) = ( -0.2851585 0.3372886 0.8924206), wk = 0.0030488 k( 47) = ( -0.2851585 0.3372886 0.8924206), wk = 0.0030488 k( 48) = ( -0.2733290 0.3232966 0.9014887), wk = 0.0030488 k( 49) = ( -0.2614996 0.3093047 0.9105568), wk = 0.0030488 k( 50) = ( -0.2496702 0.2953127 0.9196250), wk = 0.0030488 k( 51) = ( -0.2378408 0.2813207 0.9286931), wk = 0.0030488 k( 52) = ( -0.2260113 0.2673288 0.9377612), wk = 0.0030488 k( 53) = ( -0.2141819 0.2533368 0.9468294), wk = 0.0030488 k( 54) = ( -0.2023525 0.2393448 0.9558975), wk = 0.0030488 k( 55) = ( -0.1905231 0.2253528 0.9649657), wk = 0.0030488 k( 56) = ( -0.1786937 0.2113609 0.9740338), wk = 0.0030488 k( 57) = ( -0.1786937 0.2113609 0.9740338), wk = 0.0030488 k( 58) = ( -0.1649480 0.1951023 0.9740338), wk = 0.0030488 k( 59) = ( -0.1512023 0.1788438 0.9740338), wk = 0.0030488 k( 60) = ( -0.1374567 0.1625853 0.9740338), wk = 0.0030488 k( 61) = ( -0.1237110 0.1463268 0.9740338), wk = 0.0030488 k( 62) = ( -0.1099653 0.1300682 0.9740338), wk = 0.0030488 k( 63) = ( -0.0962197 0.1138097 0.9740338), wk = 0.0030488 k( 64) = ( -0.0824740 0.0975512 0.9740338), wk = 0.0030488 k( 65) = ( -0.0687283 0.0812926 0.9740338), wk = 0.0030488 k( 66) = ( -0.0549827 0.0650341 0.9740338), wk = 0.0030488 k( 67) = ( -0.0412370 0.0487756 0.9740338), wk = 0.0030488 k( 68) = ( -0.0274913 0.0325171 0.9740338), wk = 0.0030488 k( 69) = ( -0.0137457 0.0162585 0.9740338), wk = 0.0030488 k( 70) = ( 0.0000000 0.0000000 0.9740338), wk = 0.0030488 k( 71) = ( 0.0000000 0.0000000 0.9740338), wk = 0.0030488 k( 72) = ( 0.0166667 0.0140907 0.9740338), wk = 0.0030488 k( 73) = ( 0.0333333 0.0281814 0.9740338), wk = 0.0030488 k( 74) = ( 0.0500000 0.0422722 0.9740338), wk = 0.0030488 k( 75) = ( 0.0666667 0.0563629 0.9740338), wk = 0.0030488 k( 76) = ( 0.0833333 0.0704536 0.9740338), wk = 0.0030488 k( 77) = ( 0.1000000 0.0845443 0.9740338), wk = 0.0030488 k( 78) = ( 0.1166667 0.0986351 0.9740338), wk = 0.0030488 k( 79) = ( 0.1333333 0.1127258 0.9740338), wk = 0.0030488 k( 80) = ( 0.1500000 0.1268165 0.9740338), wk = 0.0030488 k( 81) = ( 0.1666667 0.1409072 0.9740338), wk = 0.0030488 k( 82) = ( 0.1833333 0.1549980 0.9740338), wk = 0.0030488 k( 83) = ( 0.2000000 0.1690887 0.9740338), wk = 0.0030488 k( 84) = ( 0.2166667 0.1831794 0.9740338), wk = 0.0030488 k( 85) = ( 0.2333333 0.1972701 0.9740338), wk = 0.0030488 k( 86) = ( 0.2500000 0.2113609 0.9740338), wk = 0.0030488 k( 87) = ( 0.2500000 0.2113609 0.9740338), wk = 0.0030488 k( 88) = ( 0.2375000 0.2261460 0.9644516), wk = 0.0030488 k( 89) = ( 0.2250000 0.2409311 0.9548694), wk = 0.0030488 k( 90) = ( 0.2125000 0.2557163 0.9452872), wk = 0.0030488 k( 91) = ( 0.2000000 0.2705014 0.9357051), wk = 0.0030488 k( 92) = ( 0.1875000 0.2852866 0.9261229), wk = 0.0030488 k( 93) = ( 0.1750000 0.3000717 0.9165407), wk = 0.0030488 k( 94) = ( 0.1625000 0.3148568 0.9069585), wk = 0.0030488 k( 95) = ( 0.1500000 0.3296420 0.8973763), wk = 0.0030488 k( 96) = ( 0.1375000 0.3444271 0.8877941), wk = 0.0030488 k( 97) = ( 0.1250000 0.3592123 0.8782119), wk = 0.0030488 k( 98) = ( 0.1125000 0.3739974 0.8686298), wk = 0.0030488 k( 99) = ( 0.1000000 0.3887825 0.8590476), wk = 0.0030488 k( 100) = ( 0.0875000 0.4035677 0.8494654), wk = 0.0030488 k( 101) = ( 0.0750000 0.4183528 0.8398832), wk = 0.0030488 k( 102) = ( 0.0625000 0.4331380 0.8303010), wk = 0.0030488 k( 103) = ( 0.0500000 0.4479231 0.8207188), wk = 0.0030488 k( 104) = ( 0.0375000 0.4627082 0.8111366), wk = 0.0030488 k( 105) = ( 0.0250000 0.4774934 0.8015544), wk = 0.0030488 k( 106) = ( 0.0125000 0.4922785 0.7919723), wk = 0.0030488 k( 107) = ( 0.0000000 0.5070637 0.7823901), wk = 0.0030488 k( 108) = ( 0.0000000 0.5070637 0.7823901), wk = 0.0030488 k( 109) = ( 0.0178224 0.5176746 0.7755132), wk = 0.0030488 k( 110) = ( 0.0356448 0.5282855 0.7686363), wk = 0.0030488 k( 111) = ( 0.0534672 0.5388965 0.7617594), wk = 0.0030488 k( 112) = ( 0.0712896 0.5495074 0.7548825), wk = 0.0030488 k( 113) = ( 0.0891120 0.5601184 0.7480055), wk = 0.0030488 k( 114) = ( 0.1069344 0.5707293 0.7411286), wk = 0.0030488 k( 115) = ( 0.1247568 0.5813403 0.7342517), wk = 0.0030488 k( 116) = ( 0.1425792 0.5919512 0.7273748), wk = 0.0030488 k( 117) = ( 0.1604016 0.6025621 0.7204979), wk = 0.0030488 k( 118) = ( 0.1782240 0.6131731 0.7136210), wk = 0.0030488 k( 119) = ( 0.1960464 0.6237840 0.7067441), wk = 0.0030488 k( 120) = ( 0.2138688 0.6343950 0.6998672), wk = 0.0030488 k( 121) = ( 0.2316912 0.6450059 0.6929903), wk = 0.0030488 k( 122) = ( 0.2495136 0.6556168 0.6861134), wk = 0.0030488 k( 123) = ( 0.2673360 0.6662278 0.6792365), wk = 0.0030488 k( 124) = ( 0.2851585 0.6768387 0.6723596), wk = 0.0030488 k( 125) = ( 0.2851585 0.6768387 0.6723596), wk = 0.0030488 k( 126) = ( 0.2914773 0.6693647 0.6525843), wk = 0.0030488 k( 127) = ( 0.2977962 0.6618907 0.6328090), wk = 0.0030488 k( 128) = ( 0.3041151 0.6544166 0.6130337), wk = 0.0030488 k( 129) = ( 0.3104339 0.6469426 0.5932584), wk = 0.0030488 k( 130) = ( 0.3167528 0.6394686 0.5734832), wk = 0.0030488 k( 131) = ( 0.3230717 0.6319946 0.5537079), wk = 0.0030488 k( 132) = ( 0.3293905 0.6245205 0.5339326), wk = 0.0030488 k( 133) = ( 0.3357094 0.6170465 0.5141573), wk = 0.0030488 k( 134) = ( 0.3420283 0.6095725 0.4943821), wk = 0.0030488 k( 135) = ( 0.3483471 0.6020984 0.4746068), wk = 0.0030488 k( 136) = ( 0.3546660 0.5946244 0.4548315), wk = 0.0030488 k( 137) = ( 0.3609849 0.5871504 0.4350562), wk = 0.0030488 k( 138) = ( 0.3673037 0.5796763 0.4152809), wk = 0.0030488 k( 139) = ( 0.3736226 0.5722023 0.3955056), wk = 0.0030488 k( 140) = ( 0.3799415 0.5647283 0.3757303), wk = 0.0030488 k( 141) = ( 0.3862604 0.5572543 0.3559551), wk = 0.0030488 k( 142) = ( 0.3925792 0.5497802 0.3361798), wk = 0.0030488 k( 143) = ( 0.3988981 0.5423062 0.3164045), wk = 0.0030488 k( 144) = ( 0.4052170 0.5348322 0.2966292), wk = 0.0030488 k( 145) = ( 0.4115358 0.5273581 0.2768540), wk = 0.0030488 k( 146) = ( 0.4178547 0.5198841 0.2570787), wk = 0.0030488 k( 147) = ( 0.4241736 0.5124101 0.2373034), wk = 0.0030488 k( 148) = ( 0.4304924 0.5049361 0.2175281), wk = 0.0030488 k( 149) = ( 0.4368113 0.4974620 0.1977528), wk = 0.0030488 k( 150) = ( 0.4431302 0.4899880 0.1779775), wk = 0.0030488 k( 151) = ( 0.4494491 0.4825140 0.1582022), wk = 0.0030488 k( 152) = ( 0.4557679 0.4750399 0.1384270), wk = 0.0030488 k( 153) = ( 0.4620868 0.4675659 0.1186517), wk = 0.0030488 k( 154) = ( 0.4684057 0.4600919 0.0988764), wk = 0.0030488 k( 155) = ( 0.4747245 0.4526179 0.0791011), wk = 0.0030488 k( 156) = ( 0.4810434 0.4451438 0.0593259), wk = 0.0030488 k( 157) = ( 0.4873623 0.4376698 0.0395506), wk = 0.0030488 k( 158) = ( 0.4936811 0.4301958 0.0197753), wk = 0.0030488 k( 159) = ( 0.5000000 0.4227217 0.0000000), wk = 0.0030488 k( 160) = ( 0.5000000 0.4227217 0.0000000), wk = 0.0030488 k( 161) = ( 0.4833333 0.4086310 0.0000000), wk = 0.0030488 k( 162) = ( 0.4666667 0.3945403 0.0000000), wk = 0.0030488 k( 163) = ( 0.4500000 0.3804496 0.0000000), wk = 0.0030488 k( 164) = ( 0.4333333 0.3663588 0.0000000), wk = 0.0030488 k( 165) = ( 0.4166667 0.3522681 0.0000000), wk = 0.0030488 k( 166) = ( 0.4000000 0.3381774 0.0000000), wk = 0.0030488 k( 167) = ( 0.3833333 0.3240867 0.0000000), wk = 0.0030488 k( 168) = ( 0.3666667 0.3099959 0.0000000), wk = 0.0030488 k( 169) = ( 0.3500000 0.2959052 0.0000000), wk = 0.0030488 k( 170) = ( 0.3333333 0.2818145 0.0000000), wk = 0.0030488 k( 171) = ( 0.3166667 0.2677238 0.0000000), wk = 0.0030488 k( 172) = ( 0.3000000 0.2536330 0.0000000), wk = 0.0030488 k( 173) = ( 0.2833333 0.2395423 0.0000000), wk = 0.0030488 k( 174) = ( 0.2666667 0.2254516 0.0000000), wk = 0.0030488 k( 175) = ( 0.2500000 0.2113609 0.0000000), wk = 0.0030488 k( 176) = ( 0.2333333 0.1972701 0.0000000), wk = 0.0030488 k( 177) = ( 0.2166667 0.1831794 0.0000000), wk = 0.0030488 k( 178) = ( 0.2000000 0.1690887 0.0000000), wk = 0.0030488 k( 179) = ( 0.1833333 0.1549980 0.0000000), wk = 0.0030488 k( 180) = ( 0.1666667 0.1409072 0.0000000), wk = 0.0030488 k( 181) = ( 0.1500000 0.1268165 0.0000000), wk = 0.0030488 k( 182) = ( 0.1333333 0.1127258 0.0000000), wk = 0.0030488 k( 183) = ( 0.1166667 0.0986351 0.0000000), wk = 0.0030488 k( 184) = ( 0.1000000 0.0845443 0.0000000), wk = 0.0030488 k( 185) = ( 0.0833333 0.0704536 0.0000000), wk = 0.0030488 k( 186) = ( 0.0666667 0.0563629 0.0000000), wk = 0.0030488 k( 187) = ( 0.0500000 0.0422722 0.0000000), wk = 0.0030488 k( 188) = ( 0.0333333 0.0281814 0.0000000), wk = 0.0030488 k( 189) = ( 0.0166667 0.0140907 0.0000000), wk = 0.0030488 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 192) = ( 0.0126947 -0.0150154 0.0097314), wk = 0.0030488 k( 193) = ( 0.0253894 -0.0300308 0.0194629), wk = 0.0030488 k( 194) = ( 0.0380841 -0.0450462 0.0291943), wk = 0.0030488 k( 195) = ( 0.0507787 -0.0600617 0.0389257), wk = 0.0030488 k( 196) = ( 0.0634734 -0.0750771 0.0486571), wk = 0.0030488 k( 197) = ( 0.0761681 -0.0900925 0.0583886), wk = 0.0030488 k( 198) = ( 0.0888628 -0.1051079 0.0681200), wk = 0.0030488 k( 199) = ( 0.1015575 -0.1201233 0.0778514), wk = 0.0030488 k( 200) = ( 0.1142522 -0.1351387 0.0875828), wk = 0.0030488 k( 201) = ( 0.1269468 -0.1501541 0.0973143), wk = 0.0030488 k( 202) = ( 0.1396415 -0.1651696 0.1070457), wk = 0.0030488 k( 203) = ( 0.1523362 -0.1801850 0.1167771), wk = 0.0030488 k( 204) = ( 0.1650309 -0.1952004 0.1265085), wk = 0.0030488 k( 205) = ( 0.1777256 -0.2102158 0.1362400), wk = 0.0030488 k( 206) = ( 0.1904203 -0.2252312 0.1459714), wk = 0.0030488 k( 207) = ( 0.2031149 -0.2402466 0.1557028), wk = 0.0030488 k( 208) = ( 0.2158096 -0.2552620 0.1654342), wk = 0.0030488 k( 209) = ( 0.2285043 -0.2702775 0.1751657), wk = 0.0030488 k( 210) = ( 0.2411990 -0.2852929 0.1848971), wk = 0.0030488 k( 211) = ( 0.2538937 -0.3003083 0.1946285), wk = 0.0030488 k( 212) = ( 0.2665884 -0.3153237 0.2043599), wk = 0.0030488 k( 213) = ( 0.2792831 -0.3303391 0.2140914), wk = 0.0030488 k( 214) = ( 0.2919777 -0.3453545 0.2238228), wk = 0.0030488 k( 215) = ( 0.3046724 -0.3603699 0.2335542), wk = 0.0030488 k( 216) = ( 0.3173671 -0.3753854 0.2432857), wk = 0.0030488 k( 217) = ( 0.3300618 -0.3904008 0.2530171), wk = 0.0030488 k( 218) = ( 0.3427565 -0.4054162 0.2627485), wk = 0.0030488 k( 219) = ( 0.3554512 -0.4204316 0.2724799), wk = 0.0030488 k( 220) = ( 0.3681458 -0.4354470 0.2822114), wk = 0.0030488 k( 221) = ( 0.3808405 -0.4504624 0.2919428), wk = 0.0030488 k( 222) = ( 0.3935352 -0.4654779 0.3016742), wk = 0.0030488 k( 223) = ( 0.3935352 -0.4654779 0.3016742), wk = 0.0030488 k( 224) = ( 0.3991386 -0.4454181 0.2958831), wk = 0.0030488 k( 225) = ( 0.4047420 -0.4253583 0.2900921), wk = 0.0030488 k( 226) = ( 0.4103454 -0.4052985 0.2843010), wk = 0.0030488 k( 227) = ( 0.4159488 -0.3852387 0.2785099), wk = 0.0030488 k( 228) = ( 0.4215523 -0.3651789 0.2727188), wk = 0.0030488 k( 229) = ( 0.4271557 -0.3451191 0.2669277), wk = 0.0030488 k( 230) = ( 0.4327591 -0.3250594 0.2611367), wk = 0.0030488 k( 231) = ( 0.4383625 -0.3049996 0.2553456), wk = 0.0030488 k( 232) = ( 0.4439659 -0.2849398 0.2495545), wk = 0.0030488 k( 233) = ( 0.4495693 -0.2648800 0.2437634), wk = 0.0030488 k( 234) = ( 0.4551727 -0.2448202 0.2379723), wk = 0.0030488 k( 235) = ( 0.4607761 -0.2247604 0.2321813), wk = 0.0030488 k( 236) = ( 0.4663795 -0.2047006 0.2263902), wk = 0.0030488 k( 237) = ( 0.4719830 -0.1846409 0.2205991), wk = 0.0030488 k( 238) = ( 0.4775864 -0.1645811 0.2148080), wk = 0.0030488 k( 239) = ( 0.4831898 -0.1445213 0.2090170), wk = 0.0030488 k( 240) = ( 0.4887932 -0.1244615 0.2032259), wk = 0.0030488 k( 241) = ( 0.4943966 -0.1044017 0.1974348), wk = 0.0030488 k( 242) = ( 0.5000000 -0.0843419 0.1916437), wk = 0.0030488 k( 243) = ( 0.5000000 -0.0843419 0.1916437), wk = 0.0030488 k( 244) = ( 0.4937500 -0.0769494 0.2112035), wk = 0.0030488 k( 245) = ( 0.4875000 -0.0695568 0.2307632), wk = 0.0030488 k( 246) = ( 0.4812500 -0.0621642 0.2503230), wk = 0.0030488 k( 247) = ( 0.4750000 -0.0547717 0.2698827), wk = 0.0030488 k( 248) = ( 0.4687500 -0.0473791 0.2894425), wk = 0.0030488 k( 249) = ( 0.4625000 -0.0399865 0.3090022), wk = 0.0030488 k( 250) = ( 0.4562500 -0.0325939 0.3285620), wk = 0.0030488 k( 251) = ( 0.4500000 -0.0252014 0.3481217), wk = 0.0030488 k( 252) = ( 0.4437500 -0.0178088 0.3676815), wk = 0.0030488 k( 253) = ( 0.4375000 -0.0104162 0.3872412), wk = 0.0030488 k( 254) = ( 0.4312500 -0.0030237 0.4068010), wk = 0.0030488 k( 255) = ( 0.4250000 0.0043689 0.4263607), wk = 0.0030488 k( 256) = ( 0.4187500 0.0117615 0.4459205), wk = 0.0030488 k( 257) = ( 0.4125000 0.0191540 0.4654802), wk = 0.0030488 k( 258) = ( 0.4062500 0.0265466 0.4850400), wk = 0.0030488 k( 259) = ( 0.4000000 0.0339392 0.5045998), wk = 0.0030488 k( 260) = ( 0.3937500 0.0413318 0.5241595), wk = 0.0030488 k( 261) = ( 0.3875000 0.0487243 0.5437193), wk = 0.0030488 k( 262) = ( 0.3812500 0.0561169 0.5632790), wk = 0.0030488 k( 263) = ( 0.3750000 0.0635095 0.5828388), wk = 0.0030488 k( 264) = ( 0.3687500 0.0709020 0.6023985), wk = 0.0030488 k( 265) = ( 0.3625000 0.0782946 0.6219583), wk = 0.0030488 k( 266) = ( 0.3562500 0.0856872 0.6415180), wk = 0.0030488 k( 267) = ( 0.3500000 0.0930797 0.6610778), wk = 0.0030488 k( 268) = ( 0.3437500 0.1004723 0.6806375), wk = 0.0030488 k( 269) = ( 0.3375000 0.1078649 0.7001973), wk = 0.0030488 k( 270) = ( 0.3312500 0.1152575 0.7197570), wk = 0.0030488 k( 271) = ( 0.3250000 0.1226500 0.7393168), wk = 0.0030488 k( 272) = ( 0.3187500 0.1300426 0.7588765), wk = 0.0030488 k( 273) = ( 0.3125000 0.1374352 0.7784363), wk = 0.0030488 k( 274) = ( 0.3062500 0.1448277 0.7979960), wk = 0.0030488 k( 275) = ( 0.3000000 0.1522203 0.8175558), wk = 0.0030488 k( 276) = ( 0.2937500 0.1596129 0.8371155), wk = 0.0030488 k( 277) = ( 0.2875000 0.1670054 0.8566753), wk = 0.0030488 k( 278) = ( 0.2812500 0.1743980 0.8762350), wk = 0.0030488 k( 279) = ( 0.2750000 0.1817906 0.8957948), wk = 0.0030488 k( 280) = ( 0.2687500 0.1891832 0.9153545), wk = 0.0030488 k( 281) = ( 0.2625000 0.1965757 0.9349143), wk = 0.0030488 k( 282) = ( 0.2562500 0.2039683 0.9544740), wk = 0.0030488 k( 283) = ( 0.2500000 0.2113609 0.9740338), wk = 0.0030488 k( 284) = ( 0.1786937 -0.2113609 0.9740338), wk = 0.0030488 k( 285) = ( 0.1850125 -0.2188349 0.9542585), wk = 0.0030488 k( 286) = ( 0.1913314 -0.2263089 0.9344832), wk = 0.0030488 k( 287) = ( 0.1976503 -0.2337830 0.9147080), wk = 0.0030488 k( 288) = ( 0.2039691 -0.2412570 0.8949327), wk = 0.0030488 k( 289) = ( 0.2102880 -0.2487310 0.8751574), wk = 0.0030488 k( 290) = ( 0.2166069 -0.2562050 0.8553821), wk = 0.0030488 k( 291) = ( 0.2229258 -0.2636791 0.8356068), wk = 0.0030488 k( 292) = ( 0.2292446 -0.2711531 0.8158315), wk = 0.0030488 k( 293) = ( 0.2355635 -0.2786271 0.7960563), wk = 0.0030488 k( 294) = ( 0.2418824 -0.2861012 0.7762810), wk = 0.0030488 k( 295) = ( 0.2482012 -0.2935752 0.7565057), wk = 0.0030488 k( 296) = ( 0.2545201 -0.3010492 0.7367304), wk = 0.0030488 k( 297) = ( 0.2608390 -0.3085232 0.7169551), wk = 0.0030488 k( 298) = ( 0.2671578 -0.3159973 0.6971799), wk = 0.0030488 k( 299) = ( 0.2734767 -0.3234713 0.6774046), wk = 0.0030488 k( 300) = ( 0.2797956 -0.3309453 0.6576293), wk = 0.0030488 k( 301) = ( 0.2861144 -0.3384194 0.6378540), wk = 0.0030488 k( 302) = ( 0.2924333 -0.3458934 0.6180787), wk = 0.0030488 k( 303) = ( 0.2987522 -0.3533674 0.5983034), wk = 0.0030488 k( 304) = ( 0.3050711 -0.3608415 0.5785282), wk = 0.0030488 k( 305) = ( 0.3113899 -0.3683155 0.5587529), wk = 0.0030488 k( 306) = ( 0.3177088 -0.3757895 0.5389776), wk = 0.0030488 k( 307) = ( 0.3240277 -0.3832635 0.5192023), wk = 0.0030488 k( 308) = ( 0.3303465 -0.3907376 0.4994270), wk = 0.0030488 k( 309) = ( 0.3366654 -0.3982116 0.4796518), wk = 0.0030488 k( 310) = ( 0.3429843 -0.4056856 0.4598765), wk = 0.0030488 k( 311) = ( 0.3493031 -0.4131597 0.4401012), wk = 0.0030488 k( 312) = ( 0.3556220 -0.4206337 0.4203259), wk = 0.0030488 k( 313) = ( 0.3619409 -0.4281077 0.4005506), wk = 0.0030488 k( 314) = ( 0.3682597 -0.4355817 0.3807753), wk = 0.0030488 k( 315) = ( 0.3745786 -0.4430558 0.3610001), wk = 0.0030488 k( 316) = ( 0.3808975 -0.4505298 0.3412248), wk = 0.0030488 k( 317) = ( 0.3872163 -0.4580038 0.3214495), wk = 0.0030488 k( 318) = ( 0.3935352 -0.4654779 0.3016742), wk = 0.0030488 k( 319) = ( 0.6064648 0.2967940 0.0816132), wk = 0.0030488 k( 320) = ( 0.5946354 0.3107860 0.0725451), wk = 0.0030488 k( 321) = ( 0.5828059 0.3247779 0.0634770), wk = 0.0030488 k( 322) = ( 0.5709765 0.3387699 0.0544088), wk = 0.0030488 k( 323) = ( 0.5591471 0.3527619 0.0453407), wk = 0.0030488 k( 324) = ( 0.5473177 0.3667539 0.0362725), wk = 0.0030488 k( 325) = ( 0.5354883 0.3807458 0.0272044), wk = 0.0030488 k( 326) = ( 0.5236588 0.3947378 0.0181363), wk = 0.0030488 k( 327) = ( 0.5118294 0.4087298 0.0090681), wk = 0.0030488 k( 328) = ( 0.5000000 0.4227217 0.0000000), wk = 0.0030488 cryst. coord. k( 1) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 2) = ( -0.0063368 0.0063368 0.0063368), wk = 0.0030488 k( 3) = ( -0.0126737 0.0126737 0.0126737), wk = 0.0030488 k( 4) = ( -0.0190106 0.0190106 0.0190106), wk = 0.0030488 k( 5) = ( -0.0253474 0.0253474 0.0253474), wk = 0.0030488 k( 6) = ( -0.0316843 0.0316843 0.0316843), wk = 0.0030488 k( 7) = ( -0.0380211 0.0380211 0.0380211), wk = 0.0030488 k( 8) = ( -0.0443580 0.0443580 0.0443580), wk = 0.0030488 k( 9) = ( -0.0506948 0.0506948 0.0506948), wk = 0.0030488 k( 10) = ( -0.0570317 0.0570317 0.0570317), wk = 0.0030488 k( 11) = ( -0.0633685 0.0633685 0.0633685), wk = 0.0030488 k( 12) = ( -0.0697054 0.0697054 0.0697054), wk = 0.0030488 k( 13) = ( -0.0760423 0.0760423 0.0760423), wk = 0.0030488 k( 14) = ( -0.0823791 0.0823791 0.0823791), wk = 0.0030488 k( 15) = ( -0.0887160 0.0887160 0.0887160), wk = 0.0030488 k( 16) = ( -0.0950528 0.0950528 0.0950528), wk = 0.0030488 k( 17) = ( -0.1013897 0.1013897 0.1013897), wk = 0.0030488 k( 18) = ( -0.1077265 0.1077265 0.1077265), wk = 0.0030488 k( 19) = ( -0.1140634 0.1140634 0.1140634), wk = 0.0030488 k( 20) = ( -0.1204002 0.1204002 0.1204002), wk = 0.0030488 k( 21) = ( -0.1267371 0.1267371 0.1267371), wk = 0.0030488 k( 22) = ( -0.1330739 0.1330739 0.1330739), wk = 0.0030488 k( 23) = ( -0.1394108 0.1394108 0.1394108), wk = 0.0030488 k( 24) = ( -0.1457477 0.1457477 0.1457477), wk = 0.0030488 k( 25) = ( -0.1520845 0.1520845 0.1520845), wk = 0.0030488 k( 26) = ( -0.1584214 0.1584214 0.1584214), wk = 0.0030488 k( 27) = ( -0.1647582 0.1647582 0.1647582), wk = 0.0030488 k( 28) = ( -0.1710951 0.1710951 0.1710951), wk = 0.0030488 k( 29) = ( -0.1774319 0.1774319 0.1774319), wk = 0.0030488 k( 30) = ( -0.1837688 0.1837688 0.1837688), wk = 0.0030488 k( 31) = ( -0.1901056 0.1901056 0.1901056), wk = 0.0030488 k( 32) = ( -0.1964425 0.1964425 0.1964425), wk = 0.0030488 k( 33) = ( -0.2027793 0.2027793 0.2027793), wk = 0.0030488 k( 34) = ( -0.2091162 0.2091162 0.2091162), wk = 0.0030488 k( 35) = ( -0.2154531 0.2154531 0.2154531), wk = 0.0030488 k( 36) = ( -0.2217899 0.2217899 0.2217899), wk = 0.0030488 k( 37) = ( -0.2281268 0.2281268 0.2281268), wk = 0.0030488 k( 38) = ( -0.2344636 0.2344636 0.2344636), wk = 0.0030488 k( 39) = ( -0.2408005 0.2408005 0.2408005), wk = 0.0030488 k( 40) = ( -0.2471373 0.2471373 0.2471373), wk = 0.0030488 k( 41) = ( -0.2534742 0.2534742 0.2534742), wk = 0.0030488 k( 42) = ( -0.2598110 0.2598110 0.2598110), wk = 0.0030488 k( 43) = ( -0.2661479 0.2661479 0.2661479), wk = 0.0030488 k( 44) = ( -0.2724847 0.2724847 0.2724847), wk = 0.0030488 k( 45) = ( -0.2788216 0.2788216 0.2788216), wk = 0.0030488 k( 46) = ( -0.2851585 0.2851585 0.2851584), wk = 0.0030488 k( 47) = ( -0.2851585 0.2851585 0.2851584), wk = 0.0030488 k( 48) = ( -0.2733290 0.2733290 0.2969879), wk = 0.0030488 k( 49) = ( -0.2614996 0.2614996 0.3088173), wk = 0.0030488 k( 50) = ( -0.2496702 0.2496702 0.3206467), wk = 0.0030488 k( 51) = ( -0.2378408 0.2378408 0.3324761), wk = 0.0030488 k( 52) = ( -0.2260113 0.2260114 0.3443056), wk = 0.0030488 k( 53) = ( -0.2141819 0.2141819 0.3561350), wk = 0.0030488 k( 54) = ( -0.2023525 0.2023525 0.3679644), wk = 0.0030488 k( 55) = ( -0.1905231 0.1905231 0.3797938), wk = 0.0030488 k( 56) = ( -0.1786937 0.1786937 0.3916232), wk = 0.0030488 k( 57) = ( -0.1786937 0.1786937 0.3916232), wk = 0.0030488 k( 58) = ( -0.1649480 0.1649480 0.3999599), wk = 0.0030488 k( 59) = ( -0.1512023 0.1512023 0.4082966), wk = 0.0030488 k( 60) = ( -0.1374567 0.1374567 0.4166333), wk = 0.0030488 k( 61) = ( -0.1237110 0.1237110 0.4249699), wk = 0.0030488 k( 62) = ( -0.1099653 0.1099653 0.4333066), wk = 0.0030488 k( 63) = ( -0.0962197 0.0962197 0.4416433), wk = 0.0030488 k( 64) = ( -0.0824740 0.0824740 0.4499800), wk = 0.0030488 k( 65) = ( -0.0687283 0.0687283 0.4583166), wk = 0.0030488 k( 66) = ( -0.0549827 0.0549827 0.4666533), wk = 0.0030488 k( 67) = ( -0.0412370 0.0412370 0.4749900), wk = 0.0030488 k( 68) = ( -0.0274913 0.0274913 0.4833267), wk = 0.0030488 k( 69) = ( -0.0137457 0.0137457 0.4916633), wk = 0.0030488 k( 70) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030488 k( 71) = ( 0.0000000 0.0000000 0.5000000), wk = 0.0030488 k( 72) = ( 0.0166667 0.0166667 0.4833333), wk = 0.0030488 k( 73) = ( 0.0333333 0.0333333 0.4666667), wk = 0.0030488 k( 74) = ( 0.0500000 0.0500000 0.4500000), wk = 0.0030488 k( 75) = ( 0.0666667 0.0666667 0.4333333), wk = 0.0030488 k( 76) = ( 0.0833333 0.0833333 0.4166667), wk = 0.0030488 k( 77) = ( 0.1000000 0.1000000 0.4000000), wk = 0.0030488 k( 78) = ( 0.1166667 0.1166667 0.3833333), wk = 0.0030488 k( 79) = ( 0.1333333 0.1333333 0.3666667), wk = 0.0030488 k( 80) = ( 0.1500000 0.1500000 0.3500000), wk = 0.0030488 k( 81) = ( 0.1666667 0.1666667 0.3333333), wk = 0.0030488 k( 82) = ( 0.1833333 0.1833333 0.3166667), wk = 0.0030488 k( 83) = ( 0.2000000 0.2000000 0.3000000), wk = 0.0030488 k( 84) = ( 0.2166667 0.2166667 0.2833333), wk = 0.0030488 k( 85) = ( 0.2333333 0.2333333 0.2666667), wk = 0.0030488 k( 86) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030488 k( 87) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030488 k( 88) = ( 0.2375000 0.2625000 0.2375000), wk = 0.0030488 k( 89) = ( 0.2250000 0.2750000 0.2250000), wk = 0.0030488 k( 90) = ( 0.2125000 0.2875000 0.2125000), wk = 0.0030488 k( 91) = ( 0.2000000 0.3000000 0.2000000), wk = 0.0030488 k( 92) = ( 0.1875000 0.3125000 0.1875000), wk = 0.0030488 k( 93) = ( 0.1750000 0.3250000 0.1750000), wk = 0.0030488 k( 94) = ( 0.1625000 0.3375000 0.1625000), wk = 0.0030488 k( 95) = ( 0.1500000 0.3500000 0.1500000), wk = 0.0030488 k( 96) = ( 0.1375000 0.3625000 0.1375000), wk = 0.0030488 k( 97) = ( 0.1250000 0.3750000 0.1250000), wk = 0.0030488 k( 98) = ( 0.1125000 0.3875000 0.1125000), wk = 0.0030488 k( 99) = ( 0.1000000 0.4000000 0.1000000), wk = 0.0030488 k( 100) = ( 0.0875000 0.4125000 0.0875000), wk = 0.0030488 k( 101) = ( 0.0750000 0.4250000 0.0750000), wk = 0.0030488 k( 102) = ( 0.0625000 0.4375000 0.0625000), wk = 0.0030488 k( 103) = ( 0.0500000 0.4500000 0.0500000), wk = 0.0030488 k( 104) = ( 0.0375000 0.4625000 0.0375000), wk = 0.0030488 k( 105) = ( 0.0250000 0.4750000 0.0250000), wk = 0.0030488 k( 106) = ( 0.0125000 0.4875000 0.0125000), wk = 0.0030488 k( 107) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030488 k( 108) = ( 0.0000000 0.5000000 0.0000000), wk = 0.0030488 k( 109) = ( 0.0178224 0.5134276 -0.0178224), wk = 0.0030488 k( 110) = ( 0.0356448 0.5268552 -0.0356448), wk = 0.0030488 k( 111) = ( 0.0534672 0.5402828 -0.0534672), wk = 0.0030488 k( 112) = ( 0.0712896 0.5537104 -0.0712896), wk = 0.0030488 k( 113) = ( 0.0891120 0.5671380 -0.0891120), wk = 0.0030488 k( 114) = ( 0.1069344 0.5805656 -0.1069344), wk = 0.0030488 k( 115) = ( 0.1247568 0.5939932 -0.1247568), wk = 0.0030488 k( 116) = ( 0.1425792 0.6074208 -0.1425792), wk = 0.0030488 k( 117) = ( 0.1604016 0.6208484 -0.1604016), wk = 0.0030488 k( 118) = ( 0.1782240 0.6342760 -0.1782240), wk = 0.0030488 k( 119) = ( 0.1960464 0.6477036 -0.1960464), wk = 0.0030488 k( 120) = ( 0.2138688 0.6611312 -0.2138688), wk = 0.0030488 k( 121) = ( 0.2316912 0.6745588 -0.2316912), wk = 0.0030488 k( 122) = ( 0.2495136 0.6879864 -0.2495136), wk = 0.0030488 k( 123) = ( 0.2673360 0.7014139 -0.2673361), wk = 0.0030488 k( 124) = ( 0.2851585 0.7148416 -0.2851585), wk = 0.0030488 k( 125) = ( 0.2851585 0.7148416 -0.2851585), wk = 0.0030488 k( 126) = ( 0.2914773 0.7085227 -0.2914773), wk = 0.0030488 k( 127) = ( 0.2977962 0.7022038 -0.2977962), wk = 0.0030488 k( 128) = ( 0.3041151 0.6958849 -0.3041151), wk = 0.0030488 k( 129) = ( 0.3104339 0.6895661 -0.3104339), wk = 0.0030488 k( 130) = ( 0.3167528 0.6832472 -0.3167528), wk = 0.0030488 k( 131) = ( 0.3230717 0.6769283 -0.3230717), wk = 0.0030488 k( 132) = ( 0.3293905 0.6706095 -0.3293905), wk = 0.0030488 k( 133) = ( 0.3357094 0.6642906 -0.3357094), wk = 0.0030488 k( 134) = ( 0.3420283 0.6579717 -0.3420283), wk = 0.0030488 k( 135) = ( 0.3483471 0.6516529 -0.3483471), wk = 0.0030488 k( 136) = ( 0.3546660 0.6453340 -0.3546660), wk = 0.0030488 k( 137) = ( 0.3609849 0.6390151 -0.3609849), wk = 0.0030488 k( 138) = ( 0.3673037 0.6326962 -0.3673038), wk = 0.0030488 k( 139) = ( 0.3736226 0.6263774 -0.3736226), wk = 0.0030488 k( 140) = ( 0.3799415 0.6200585 -0.3799415), wk = 0.0030488 k( 141) = ( 0.3862604 0.6137396 -0.3862604), wk = 0.0030488 k( 142) = ( 0.3925792 0.6074208 -0.3925792), wk = 0.0030488 k( 143) = ( 0.3988981 0.6011019 -0.3988981), wk = 0.0030488 k( 144) = ( 0.4052170 0.5947830 -0.4052170), wk = 0.0030488 k( 145) = ( 0.4115358 0.5884642 -0.4115358), wk = 0.0030488 k( 146) = ( 0.4178547 0.5821453 -0.4178547), wk = 0.0030488 k( 147) = ( 0.4241736 0.5758264 -0.4241736), wk = 0.0030488 k( 148) = ( 0.4304924 0.5695076 -0.4304924), wk = 0.0030488 k( 149) = ( 0.4368113 0.5631887 -0.4368113), wk = 0.0030488 k( 150) = ( 0.4431302 0.5568698 -0.4431302), wk = 0.0030488 k( 151) = ( 0.4494491 0.5505509 -0.4494490), wk = 0.0030488 k( 152) = ( 0.4557679 0.5442321 -0.4557679), wk = 0.0030488 k( 153) = ( 0.4620868 0.5379132 -0.4620868), wk = 0.0030488 k( 154) = ( 0.4684057 0.5315943 -0.4684057), wk = 0.0030488 k( 155) = ( 0.4747245 0.5252755 -0.4747245), wk = 0.0030488 k( 156) = ( 0.4810434 0.5189566 -0.4810434), wk = 0.0030488 k( 157) = ( 0.4873623 0.5126377 -0.4873623), wk = 0.0030488 k( 158) = ( 0.4936811 0.5063189 -0.4936811), wk = 0.0030488 k( 159) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030488 k( 160) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030488 k( 161) = ( 0.4833333 0.4833333 -0.4833333), wk = 0.0030488 k( 162) = ( 0.4666667 0.4666667 -0.4666667), wk = 0.0030488 k( 163) = ( 0.4500000 0.4500000 -0.4500000), wk = 0.0030488 k( 164) = ( 0.4333333 0.4333333 -0.4333333), wk = 0.0030488 k( 165) = ( 0.4166667 0.4166667 -0.4166667), wk = 0.0030488 k( 166) = ( 0.4000000 0.4000000 -0.4000000), wk = 0.0030488 k( 167) = ( 0.3833333 0.3833333 -0.3833333), wk = 0.0030488 k( 168) = ( 0.3666667 0.3666667 -0.3666667), wk = 0.0030488 k( 169) = ( 0.3500000 0.3500000 -0.3500000), wk = 0.0030488 k( 170) = ( 0.3333333 0.3333333 -0.3333333), wk = 0.0030488 k( 171) = ( 0.3166667 0.3166667 -0.3166667), wk = 0.0030488 k( 172) = ( 0.3000000 0.3000000 -0.3000000), wk = 0.0030488 k( 173) = ( 0.2833333 0.2833333 -0.2833333), wk = 0.0030488 k( 174) = ( 0.2666667 0.2666667 -0.2666667), wk = 0.0030488 k( 175) = ( 0.2500000 0.2500000 -0.2500000), wk = 0.0030488 k( 176) = ( 0.2333333 0.2333333 -0.2333333), wk = 0.0030488 k( 177) = ( 0.2166667 0.2166667 -0.2166667), wk = 0.0030488 k( 178) = ( 0.2000000 0.2000000 -0.2000000), wk = 0.0030488 k( 179) = ( 0.1833333 0.1833333 -0.1833333), wk = 0.0030488 k( 180) = ( 0.1666667 0.1666667 -0.1666667), wk = 0.0030488 k( 181) = ( 0.1500000 0.1500000 -0.1500000), wk = 0.0030488 k( 182) = ( 0.1333333 0.1333333 -0.1333333), wk = 0.0030488 k( 183) = ( 0.1166667 0.1166667 -0.1166667), wk = 0.0030488 k( 184) = ( 0.1000000 0.1000000 -0.1000000), wk = 0.0030488 k( 185) = ( 0.0833333 0.0833333 -0.0833333), wk = 0.0030488 k( 186) = ( 0.0666667 0.0666667 -0.0666667), wk = 0.0030488 k( 187) = ( 0.0500000 0.0500000 -0.0500000), wk = 0.0030488 k( 188) = ( 0.0333333 0.0333333 -0.0333333), wk = 0.0030488 k( 189) = ( 0.0166667 0.0166667 -0.0166667), wk = 0.0030488 k( 190) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 191) = ( 0.0000000 0.0000000 0.0000000), wk = 0.0030488 k( 192) = ( 0.0126947 -0.0126947 0.0126947), wk = 0.0030488 k( 193) = ( 0.0253894 -0.0253894 0.0253894), wk = 0.0030488 k( 194) = ( 0.0380841 -0.0380841 0.0380841), wk = 0.0030488 k( 195) = ( 0.0507787 -0.0507787 0.0507787), wk = 0.0030488 k( 196) = ( 0.0634734 -0.0634734 0.0634734), wk = 0.0030488 k( 197) = ( 0.0761681 -0.0761681 0.0761681), wk = 0.0030488 k( 198) = ( 0.0888628 -0.0888628 0.0888628), wk = 0.0030488 k( 199) = ( 0.1015575 -0.1015575 0.1015575), wk = 0.0030488 k( 200) = ( 0.1142522 -0.1142522 0.1142522), wk = 0.0030488 k( 201) = ( 0.1269468 -0.1269468 0.1269468), wk = 0.0030488 k( 202) = ( 0.1396415 -0.1396415 0.1396415), wk = 0.0030488 k( 203) = ( 0.1523362 -0.1523362 0.1523362), wk = 0.0030488 k( 204) = ( 0.1650309 -0.1650309 0.1650309), wk = 0.0030488 k( 205) = ( 0.1777256 -0.1777256 0.1777256), wk = 0.0030488 k( 206) = ( 0.1904203 -0.1904203 0.1904203), wk = 0.0030488 k( 207) = ( 0.2031149 -0.2031150 0.2031149), wk = 0.0030488 k( 208) = ( 0.2158096 -0.2158096 0.2158096), wk = 0.0030488 k( 209) = ( 0.2285043 -0.2285043 0.2285043), wk = 0.0030488 k( 210) = ( 0.2411990 -0.2411990 0.2411990), wk = 0.0030488 k( 211) = ( 0.2538937 -0.2538937 0.2538937), wk = 0.0030488 k( 212) = ( 0.2665884 -0.2665884 0.2665884), wk = 0.0030488 k( 213) = ( 0.2792831 -0.2792831 0.2792831), wk = 0.0030488 k( 214) = ( 0.2919777 -0.2919777 0.2919777), wk = 0.0030488 k( 215) = ( 0.3046724 -0.3046724 0.3046724), wk = 0.0030488 k( 216) = ( 0.3173671 -0.3173671 0.3173671), wk = 0.0030488 k( 217) = ( 0.3300618 -0.3300618 0.3300618), wk = 0.0030488 k( 218) = ( 0.3427565 -0.3427565 0.3427565), wk = 0.0030488 k( 219) = ( 0.3554512 -0.3554512 0.3554512), wk = 0.0030488 k( 220) = ( 0.3681458 -0.3681459 0.3681458), wk = 0.0030488 k( 221) = ( 0.3808405 -0.3808405 0.3808405), wk = 0.0030488 k( 222) = ( 0.3935352 -0.3935352 0.3935352), wk = 0.0030488 k( 223) = ( 0.3935352 -0.3935352 0.3935352), wk = 0.0030488 k( 224) = ( 0.3991386 -0.3728228 0.3728228), wk = 0.0030488 k( 225) = ( 0.4047420 -0.3521105 0.3521105), wk = 0.0030488 k( 226) = ( 0.4103454 -0.3313981 0.3313981), wk = 0.0030488 k( 227) = ( 0.4159488 -0.3106857 0.3106857), wk = 0.0030488 k( 228) = ( 0.4215523 -0.2899733 0.2899733), wk = 0.0030488 k( 229) = ( 0.4271557 -0.2692609 0.2692609), wk = 0.0030488 k( 230) = ( 0.4327591 -0.2485486 0.2485486), wk = 0.0030488 k( 231) = ( 0.4383625 -0.2278362 0.2278362), wk = 0.0030488 k( 232) = ( 0.4439659 -0.2071238 0.2071238), wk = 0.0030488 k( 233) = ( 0.4495693 -0.1864114 0.1864114), wk = 0.0030488 k( 234) = ( 0.4551727 -0.1656990 0.1656990), wk = 0.0030488 k( 235) = ( 0.4607761 -0.1449867 0.1449867), wk = 0.0030488 k( 236) = ( 0.4663795 -0.1242743 0.1242743), wk = 0.0030488 k( 237) = ( 0.4719830 -0.1035619 0.1035619), wk = 0.0030488 k( 238) = ( 0.4775864 -0.0828495 0.0828495), wk = 0.0030488 k( 239) = ( 0.4831898 -0.0621371 0.0621371), wk = 0.0030488 k( 240) = ( 0.4887932 -0.0414248 0.0414248), wk = 0.0030488 k( 241) = ( 0.4943966 -0.0207124 0.0207124), wk = 0.0030488 k( 242) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030488 k( 243) = ( 0.5000000 0.0000000 -0.0000000), wk = 0.0030488 k( 244) = ( 0.4937500 0.0062500 0.0062500), wk = 0.0030488 k( 245) = ( 0.4875000 0.0125000 0.0125000), wk = 0.0030488 k( 246) = ( 0.4812500 0.0187500 0.0187500), wk = 0.0030488 k( 247) = ( 0.4750000 0.0250000 0.0250000), wk = 0.0030488 k( 248) = ( 0.4687500 0.0312500 0.0312500), wk = 0.0030488 k( 249) = ( 0.4625000 0.0375000 0.0375000), wk = 0.0030488 k( 250) = ( 0.4562500 0.0437500 0.0437500), wk = 0.0030488 k( 251) = ( 0.4500000 0.0500000 0.0500000), wk = 0.0030488 k( 252) = ( 0.4437500 0.0562500 0.0562500), wk = 0.0030488 k( 253) = ( 0.4375000 0.0625000 0.0625000), wk = 0.0030488 k( 254) = ( 0.4312500 0.0687500 0.0687500), wk = 0.0030488 k( 255) = ( 0.4250000 0.0750000 0.0750000), wk = 0.0030488 k( 256) = ( 0.4187500 0.0812500 0.0812500), wk = 0.0030488 k( 257) = ( 0.4125000 0.0875000 0.0875000), wk = 0.0030488 k( 258) = ( 0.4062500 0.0937500 0.0937500), wk = 0.0030488 k( 259) = ( 0.4000000 0.1000000 0.1000000), wk = 0.0030488 k( 260) = ( 0.3937500 0.1062500 0.1062500), wk = 0.0030488 k( 261) = ( 0.3875000 0.1125000 0.1125000), wk = 0.0030488 k( 262) = ( 0.3812500 0.1187500 0.1187500), wk = 0.0030488 k( 263) = ( 0.3750000 0.1250000 0.1250000), wk = 0.0030488 k( 264) = ( 0.3687500 0.1312500 0.1312500), wk = 0.0030488 k( 265) = ( 0.3625000 0.1375000 0.1375000), wk = 0.0030488 k( 266) = ( 0.3562500 0.1437500 0.1437500), wk = 0.0030488 k( 267) = ( 0.3500000 0.1500000 0.1500000), wk = 0.0030488 k( 268) = ( 0.3437500 0.1562500 0.1562500), wk = 0.0030488 k( 269) = ( 0.3375000 0.1625000 0.1625000), wk = 0.0030488 k( 270) = ( 0.3312500 0.1687500 0.1687500), wk = 0.0030488 k( 271) = ( 0.3250000 0.1750000 0.1750000), wk = 0.0030488 k( 272) = ( 0.3187500 0.1812500 0.1812500), wk = 0.0030488 k( 273) = ( 0.3125000 0.1875000 0.1875000), wk = 0.0030488 k( 274) = ( 0.3062500 0.1937500 0.1937500), wk = 0.0030488 k( 275) = ( 0.3000000 0.2000000 0.2000000), wk = 0.0030488 k( 276) = ( 0.2937500 0.2062500 0.2062500), wk = 0.0030488 k( 277) = ( 0.2875000 0.2125000 0.2125000), wk = 0.0030488 k( 278) = ( 0.2812500 0.2187500 0.2187500), wk = 0.0030488 k( 279) = ( 0.2750000 0.2250000 0.2250000), wk = 0.0030488 k( 280) = ( 0.2687500 0.2312500 0.2312500), wk = 0.0030488 k( 281) = ( 0.2625000 0.2375000 0.2375000), wk = 0.0030488 k( 282) = ( 0.2562500 0.2437500 0.2437500), wk = 0.0030488 k( 283) = ( 0.2500000 0.2500000 0.2500000), wk = 0.0030488 k( 284) = ( 0.1786937 -0.1786937 0.6083768), wk = 0.0030488 k( 285) = ( 0.1850125 -0.1850125 0.6020579), wk = 0.0030488 k( 286) = ( 0.1913314 -0.1913314 0.5957390), wk = 0.0030488 k( 287) = ( 0.1976503 -0.1976503 0.5894202), wk = 0.0030488 k( 288) = ( 0.2039691 -0.2039691 0.5831013), wk = 0.0030488 k( 289) = ( 0.2102880 -0.2102880 0.5767824), wk = 0.0030488 k( 290) = ( 0.2166069 -0.2166069 0.5704636), wk = 0.0030488 k( 291) = ( 0.2229258 -0.2229258 0.5641447), wk = 0.0030488 k( 292) = ( 0.2292446 -0.2292446 0.5578258), wk = 0.0030488 k( 293) = ( 0.2355635 -0.2355635 0.5515069), wk = 0.0030488 k( 294) = ( 0.2418824 -0.2418824 0.5451881), wk = 0.0030488 k( 295) = ( 0.2482012 -0.2482012 0.5388692), wk = 0.0030488 k( 296) = ( 0.2545201 -0.2545201 0.5325503), wk = 0.0030488 k( 297) = ( 0.2608390 -0.2608390 0.5262315), wk = 0.0030488 k( 298) = ( 0.2671578 -0.2671578 0.5199126), wk = 0.0030488 k( 299) = ( 0.2734767 -0.2734767 0.5135937), wk = 0.0030488 k( 300) = ( 0.2797956 -0.2797956 0.5072749), wk = 0.0030488 k( 301) = ( 0.2861144 -0.2861144 0.5009560), wk = 0.0030488 k( 302) = ( 0.2924333 -0.2924333 0.4946371), wk = 0.0030488 k( 303) = ( 0.2987522 -0.2987522 0.4883182), wk = 0.0030488 k( 304) = ( 0.3050711 -0.3050711 0.4819994), wk = 0.0030488 k( 305) = ( 0.3113899 -0.3113899 0.4756805), wk = 0.0030488 k( 306) = ( 0.3177088 -0.3177088 0.4693616), wk = 0.0030488 k( 307) = ( 0.3240277 -0.3240277 0.4630428), wk = 0.0030488 k( 308) = ( 0.3303465 -0.3303465 0.4567239), wk = 0.0030488 k( 309) = ( 0.3366654 -0.3366654 0.4504050), wk = 0.0030488 k( 310) = ( 0.3429843 -0.3429843 0.4440862), wk = 0.0030488 k( 311) = ( 0.3493031 -0.3493031 0.4377673), wk = 0.0030488 k( 312) = ( 0.3556220 -0.3556220 0.4314484), wk = 0.0030488 k( 313) = ( 0.3619409 -0.3619409 0.4251296), wk = 0.0030488 k( 314) = ( 0.3682597 -0.3682597 0.4188107), wk = 0.0030488 k( 315) = ( 0.3745786 -0.3745786 0.4124918), wk = 0.0030488 k( 316) = ( 0.3808975 -0.3808975 0.4061730), wk = 0.0030488 k( 317) = ( 0.3872163 -0.3872163 0.3998541), wk = 0.0030488 k( 318) = ( 0.3935352 -0.3935352 0.3935352), wk = 0.0030488 k( 319) = ( 0.6064648 0.3935352 -0.3935352), wk = 0.0030488 k( 320) = ( 0.5946354 0.4053646 -0.4053646), wk = 0.0030488 k( 321) = ( 0.5828059 0.4171941 -0.4171941), wk = 0.0030488 k( 322) = ( 0.5709765 0.4290235 -0.4290235), wk = 0.0030488 k( 323) = ( 0.5591471 0.4408529 -0.4408529), wk = 0.0030488 k( 324) = ( 0.5473177 0.4526823 -0.4526823), wk = 0.0030488 k( 325) = ( 0.5354883 0.4645117 -0.4645117), wk = 0.0030488 k( 326) = ( 0.5236588 0.4763412 -0.4763412), wk = 0.0030488 k( 327) = ( 0.5118294 0.4881706 -0.4881706), wk = 0.0030488 k( 328) = ( 0.5000000 0.5000000 -0.5000000), wk = 0.0030488 Dense grid: 176353 G-vectors FFT dimensions: ( 90, 90, 90) Smooth grid: 41077 G-vectors FFT dimensions: ( 54, 54, 54) Largest allocated arrays est. size (Mb) dimensions Kohn-Sham Wavefunctions 0.22 Mb ( 302, 48) NL pseudopotentials 0.39 Mb ( 151, 170) Each V/rho on FFT grid 0.37 Mb ( 24300) Each G-vector array 0.04 Mb ( 4900) G-vector shells 0.03 Mb ( 4565) Largest temporary arrays est. size (Mb) dimensions Auxiliary wavefunctions 0.88 Mb ( 302, 192) Each subspace H/S matrix 0.04 Mb ( 48, 48) Each matrix 0.25 Mb ( 170, 2, 48) The potential is recalculated from file : ./Rb2Te2Pt.save/charge-density.dat Starting wfc are 66 randomized atomic wfcs Band Structure Calculation Davidson diagonalization with overlap Computing kpt #: 1 total cpu time spent up to now is 7.2 secs Computing kpt #: 2 total cpu time spent up to now is 7.8 secs Computing kpt #: 3 total cpu time spent up to now is 8.5 secs Computing kpt #: 4 total cpu time spent up to now is 9.1 secs Computing kpt #: 5 total cpu time spent up to now is 9.7 secs Computing kpt #: 6 total cpu time spent up to now is 10.4 secs Computing kpt #: 7 total cpu time spent up to now is 11.0 secs Computing kpt #: 8 total cpu time spent up to now is 11.6 secs Computing kpt #: 9 total cpu time spent up to now is 12.3 secs Computing kpt #: 10 total cpu time spent up to now is 13.0 secs Computing kpt #: 11 total cpu time spent up to now is 13.7 secs Computing kpt #: 12 total cpu time spent up to now is 14.5 secs Computing kpt #: 13 total cpu time spent up to now is 15.3 secs Computing kpt #: 14 total cpu time spent up to now is 16.1 secs Computing kpt #: 15 total cpu time spent up to now is 17.0 secs Computing kpt #: 16 total cpu time spent up to now is 17.9 secs Computing kpt #: 17 total cpu time spent up to now is 18.8 secs Computing kpt #: 18 total cpu time spent up to now is 19.7 secs Computing kpt #: 19 total cpu time spent up to now is 20.6 secs Computing kpt #: 20 total cpu time spent up to now is 21.4 secs Computing kpt #: 21 total cpu time spent up to now is 22.3 secs Computing kpt #: 22 total cpu time spent up to now is 23.2 secs Computing kpt #: 23 total cpu time spent up to now is 24.0 secs Computing kpt #: 24 total cpu time spent up to now is 24.9 secs Computing kpt #: 25 total cpu time spent up to now is 25.7 secs Computing kpt #: 26 total cpu time spent up to now is 26.6 secs Computing kpt #: 27 total cpu time spent up to now is 27.4 secs Computing kpt #: 28 total cpu time spent up to now is 28.2 secs Computing kpt #: 29 total cpu time spent up to now is 29.0 secs Computing kpt #: 30 total cpu time spent up to now is 29.8 secs Computing kpt #: 31 total cpu time spent up to now is 30.6 secs Computing kpt #: 32 total cpu time spent up to now is 31.4 secs Computing kpt #: 33 total cpu time spent up to now is 32.2 secs Computing kpt #: 34 total cpu time spent up to now is 32.8 secs Computing kpt #: 35 total cpu time spent up to now is 33.5 secs Computing kpt #: 36 total cpu time spent up to now is 34.3 secs Computing kpt #: 37 total cpu time spent up to now is 35.0 secs Computing kpt #: 38 total cpu time spent up to now is 35.7 secs Computing kpt #: 39 total cpu time spent up to now is 36.6 secs Computing kpt #: 40 total cpu time spent up to now is 37.7 secs Computing kpt #: 41 total cpu time spent up to now is 38.7 secs Computing kpt #: 42 total cpu time spent up to now is 39.6 secs Computing kpt #: 43 total cpu time spent up to now is 40.5 secs Computing kpt #: 44 total cpu time spent up to now is 41.5 secs Computing kpt #: 45 total cpu time spent up to now is 42.4 secs Computing kpt #: 46 total cpu time spent up to now is 43.3 secs Computing kpt #: 47 total cpu time spent up to now is 44.2 secs Computing kpt #: 48 total cpu time spent up to now is 45.1 secs Computing kpt #: 49 total cpu time spent up to now is 45.9 secs Computing kpt #: 50 total cpu time spent up to now is 46.8 secs Computing kpt #: 51 total cpu time spent up to now is 47.6 secs Computing kpt #: 52 total cpu time spent up to now is 48.5 secs Computing kpt #: 53 total cpu time spent up to now is 49.3 secs Computing kpt #: 54 total cpu time spent up to now is 50.2 secs Computing kpt #: 55 total cpu time spent up to now is 51.0 secs Computing kpt #: 56 total cpu time spent up to now is 51.8 secs Computing kpt #: 57 total cpu time spent up to now is 52.7 secs Computing kpt #: 58 total cpu time spent up to now is 53.5 secs Computing kpt #: 59 total cpu time spent up to now is 54.3 secs Computing kpt #: 60 total cpu time spent up to now is 55.1 secs Computing kpt #: 61 total cpu time spent up to now is 55.9 secs Computing kpt #: 62 total cpu time spent up to now is 56.7 secs Computing kpt #: 63 total cpu time spent up to now is 57.6 secs Computing kpt #: 64 total cpu time spent up to now is 58.4 secs Computing kpt #: 65 total cpu time spent up to now is 59.2 secs Computing kpt #: 66 total cpu time spent up to now is 59.9 secs Computing kpt #: 67 total cpu time spent up to now is 60.6 secs Computing kpt #: 68 total cpu time spent up to now is 61.4 secs Computing kpt #: 69 total cpu time spent up to now is 62.1 secs Computing kpt #: 70 total cpu time spent up to now is 62.7 secs Computing kpt #: 71 total cpu time spent up to now is 63.4 secs Computing kpt #: 72 total cpu time spent up to now is 64.1 secs Computing kpt #: 73 total cpu time spent up to now is 64.8 secs Computing kpt #: 74 total cpu time spent up to now is 65.5 secs Computing kpt #: 75 total cpu time spent up to now is 66.1 secs Computing kpt #: 76 total cpu time spent up to now is 66.8 secs Computing kpt #: 77 total cpu time spent up to now is 67.5 secs Computing kpt #: 78 total cpu time spent up to now is 68.2 secs Computing kpt #: 79 total cpu time spent up to now is 68.9 secs Computing kpt #: 80 total cpu time spent up to now is 69.5 secs Computing kpt #: 81 total cpu time spent up to now is 70.2 secs Computing kpt #: 82 total cpu time spent up to now is 70.9 secs Computing kpt #: 83 total cpu time spent up to now is 71.6 secs Computing kpt #: 84 total cpu time spent up to now is 72.2 secs Computing kpt #: 85 total cpu time spent up to now is 73.0 secs Computing kpt #: 86 total cpu time spent up to now is 73.7 secs Computing kpt #: 87 total cpu time spent up to now is 74.5 secs Computing kpt #: 88 total cpu time spent up to now is 75.3 secs Computing kpt #: 89 total cpu time spent up to now is 76.1 secs Computing kpt #: 90 total cpu time spent up to now is 76.9 secs Computing kpt #: 91 total cpu time spent up to now is 77.7 secs Computing kpt #: 92 total cpu time spent up to now is 78.5 secs Computing kpt #: 93 total cpu time spent up to now is 79.2 secs Computing kpt #: 94 total cpu time spent up to now is 79.9 secs Computing kpt #: 95 total cpu time spent up to now is 80.7 secs Computing kpt #: 96 total cpu time spent up to now is 81.5 secs Computing kpt #: 97 total cpu time spent up to now is 82.1 secs Computing kpt #: 98 total cpu time spent up to now is 82.9 secs Computing kpt #: 99 total cpu time spent up to now is 83.7 secs Computing kpt #: 100 total cpu time spent up to now is 84.3 secs Computing kpt #: 101 total cpu time spent up to now is 85.1 secs Computing kpt #: 102 total cpu time spent up to now is 85.8 secs Computing kpt #: 103 total cpu time spent up to now is 86.5 secs Computing kpt #: 104 total cpu time spent up to now is 87.2 secs Computing kpt #: 105 total cpu time spent up to now is 88.0 secs Computing kpt #: 106 total cpu time spent up to now is 88.8 secs Computing kpt #: 107 total cpu time spent up to now is 89.5 secs Computing kpt #: 108 total cpu time spent up to now is 90.1 secs Computing kpt #: 109 total cpu time spent up to now is 90.8 secs Computing kpt #: 110 total cpu time spent up to now is 91.6 secs Computing kpt #: 111 total cpu time spent up to now is 92.4 secs Computing kpt #: 112 total cpu time spent up to now is 93.2 secs Computing kpt #: 113 total cpu time spent up to now is 94.0 secs Computing kpt #: 114 total cpu time spent up to now is 94.8 secs Computing kpt #: 115 total cpu time spent up to now is 95.6 secs Computing kpt #: 116 total cpu time spent up to now is 96.4 secs Computing kpt #: 117 total cpu time spent up to now is 97.4 secs Computing kpt #: 118 total cpu time spent up to now is 98.4 secs Computing kpt #: 119 total cpu time spent up to now is 99.3 secs Computing kpt #: 120 total cpu time spent up to now is 100.3 secs Computing kpt #: 121 total cpu time spent up to now is 101.2 secs Computing kpt #: 122 total cpu time spent up to now is 102.1 secs Computing kpt #: 123 total cpu time spent up to now is 103.0 secs Computing kpt #: 124 total cpu time spent up to now is 103.9 secs Computing kpt #: 125 total cpu time spent up to now is 104.8 secs Computing kpt #: 126 total cpu time spent up to now is 105.7 secs Computing kpt #: 127 total cpu time spent up to now is 106.6 secs Computing kpt #: 128 total cpu time spent up to now is 107.4 secs Computing kpt #: 129 total cpu time spent up to now is 108.3 secs Computing kpt #: 130 total cpu time spent up to now is 109.2 secs Computing kpt #: 131 total cpu time spent up to now is 110.0 secs Computing kpt #: 132 total cpu time spent up to now is 110.9 secs Computing kpt #: 133 total cpu time spent up to now is 111.7 secs Computing kpt #: 134 total cpu time spent up to now is 112.6 secs Computing kpt #: 135 total cpu time spent up to now is 113.5 secs Computing kpt #: 136 total cpu time spent up to now is 114.4 secs Computing kpt #: 137 total cpu time spent up to now is 115.2 secs Computing kpt #: 138 total cpu time spent up to now is 116.1 secs Computing kpt #: 139 total cpu time spent up to now is 117.0 secs Computing kpt #: 140 total cpu time spent up to now is 117.9 secs Computing kpt #: 141 total cpu time spent up to now is 119.2 secs Computing kpt #: 142 total cpu time spent up to now is 120.2 secs Computing kpt #: 143 total cpu time spent up to now is 121.2 secs Computing kpt #: 144 total cpu time spent up to now is 122.2 secs Computing kpt #: 145 total cpu time spent up to now is 123.2 secs Computing kpt #: 146 total cpu time spent up to now is 124.2 secs Computing kpt #: 147 total cpu time spent up to now is 125.2 secs Computing kpt #: 148 total cpu time spent up to now is 126.1 secs Computing kpt #: 149 total cpu time spent up to now is 127.1 secs Computing kpt #: 150 total cpu time spent up to now is 128.0 secs Computing kpt #: 151 total cpu time spent up to now is 129.0 secs Computing kpt #: 152 total cpu time spent up to now is 129.9 secs Computing kpt #: 153 total cpu time spent up to now is 130.9 secs Computing kpt #: 154 total cpu time spent up to now is 131.9 secs Computing kpt #: 155 total cpu time spent up to now is 132.8 secs Computing kpt #: 156 total cpu time spent up to now is 133.8 secs Computing kpt #: 157 total cpu time spent up to now is 134.8 secs Computing kpt #: 158 total cpu time spent up to now is 135.7 secs Computing kpt #: 159 total cpu time spent up to now is 136.5 secs Computing kpt #: 160 total cpu time spent up to now is 137.4 secs Computing kpt #: 161 total cpu time spent up to now is 138.5 secs Computing kpt #: 162 total cpu time spent up to now is 139.5 secs Computing kpt #: 163 total cpu time spent up to now is 140.4 secs Computing kpt #: 164 total cpu time spent up to now is 141.4 secs Computing kpt #: 165 total cpu time spent up to now is 142.3 secs Computing kpt #: 166 total cpu time spent up to now is 143.0 secs Computing kpt #: 167 total cpu time spent up to now is 143.8 secs Computing kpt #: 168 total cpu time spent up to now is 144.5 secs Computing kpt #: 169 total cpu time spent up to now is 145.2 secs Computing kpt #: 170 total cpu time spent up to now is 145.9 secs Computing kpt #: 171 total cpu time spent up to now is 146.7 secs Computing kpt #: 172 total cpu time spent up to now is 147.3 secs Computing kpt #: 173 total cpu time spent up to now is 148.0 secs Computing kpt #: 174 total cpu time spent up to now is 148.6 secs Computing kpt #: 175 total cpu time spent up to now is 149.3 secs Computing kpt #: 176 total cpu time spent up to now is 149.9 secs Computing kpt #: 177 total cpu time spent up to now is 150.6 secs Computing kpt #: 178 total cpu time spent up to now is 151.2 secs Computing kpt #: 179 total cpu time spent up to now is 151.8 secs Computing kpt #: 180 total cpu time spent up to now is 152.5 secs Computing kpt #: 181 total cpu time spent up to now is 153.1 secs Computing kpt #: 182 total cpu time spent up to now is 153.7 secs Computing kpt #: 183 total cpu time spent up to now is 154.4 secs Computing kpt #: 184 total cpu time spent up to now is 155.0 secs Computing kpt #: 185 total cpu time spent up to now is 155.7 secs Computing kpt #: 186 total cpu time spent up to now is 156.3 secs Computing kpt #: 187 total cpu time spent up to now is 156.9 secs Computing kpt #: 188 total cpu time spent up to now is 157.6 secs Computing kpt #: 189 total cpu time spent up to now is 158.2 secs Computing kpt #: 190 total cpu time spent up to now is 158.9 secs Computing kpt #: 191 total cpu time spent up to now is 159.5 secs Computing kpt #: 192 total cpu time spent up to now is 160.2 secs Computing kpt #: 193 total cpu time spent up to now is 160.8 secs Computing kpt #: 194 total cpu time spent up to now is 161.4 secs Computing kpt #: 195 total cpu time spent up to now is 162.1 secs Computing kpt #: 196 total cpu time spent up to now is 162.7 secs Computing kpt #: 197 total cpu time spent up to now is 163.4 secs Computing kpt #: 198 total cpu time spent up to now is 164.0 secs Computing kpt #: 199 total cpu time spent up to now is 164.6 secs Computing kpt #: 200 total cpu time spent up to now is 165.5 secs Computing kpt #: 201 total cpu time spent up to now is 166.2 secs Computing kpt #: 202 total cpu time spent up to now is 166.8 secs Computing kpt #: 203 total cpu time spent up to now is 167.6 secs Computing kpt #: 204 total cpu time spent up to now is 168.4 secs Computing kpt #: 205 total cpu time spent up to now is 169.2 secs Computing kpt #: 206 total cpu time spent up to now is 170.0 secs Computing kpt #: 207 total cpu time spent up to now is 170.7 secs Computing kpt #: 208 total cpu time spent up to now is 171.6 secs Computing kpt #: 209 total cpu time spent up to now is 172.4 secs Computing kpt #: 210 total cpu time spent up to now is 173.3 secs Computing kpt #: 211 total cpu time spent up to now is 174.1 secs Computing kpt #: 212 total cpu time spent up to now is 174.9 secs Computing kpt #: 213 total cpu time spent up to now is 175.8 secs Computing kpt #: 214 total cpu time spent up to now is 176.6 secs Computing kpt #: 215 total cpu time spent up to now is 177.5 secs Computing kpt #: 216 total cpu time spent up to now is 178.3 secs Computing kpt #: 217 total cpu time spent up to now is 179.2 secs Computing kpt #: 218 total cpu time spent up to now is 180.1 secs Computing kpt #: 219 total cpu time spent up to now is 180.9 secs Computing kpt #: 220 total cpu time spent up to now is 181.8 secs Computing kpt #: 221 total cpu time spent up to now is 182.6 secs Computing kpt #: 222 total cpu time spent up to now is 183.5 secs Computing kpt #: 223 total cpu time spent up to now is 184.3 secs Computing kpt #: 224 total cpu time spent up to now is 185.2 secs Computing kpt #: 225 total cpu time spent up to now is 186.0 secs Computing kpt #: 226 total cpu time spent up to now is 186.9 secs Computing kpt #: 227 total cpu time spent up to now is 187.8 secs Computing kpt #: 228 total cpu time spent up to now is 188.7 secs Computing kpt #: 229 total cpu time spent up to now is 189.6 secs Computing kpt #: 230 total cpu time spent up to now is 190.5 secs Computing kpt #: 231 total cpu time spent up to now is 191.4 secs Computing kpt #: 232 total cpu time spent up to now is 192.3 secs Computing kpt #: 233 total cpu time spent up to now is 193.2 secs Computing kpt #: 234 total cpu time spent up to now is 194.2 secs Computing kpt #: 235 total cpu time spent up to now is 195.1 secs Computing kpt #: 236 total cpu time spent up to now is 196.0 secs Computing kpt #: 237 total cpu time spent up to now is 196.9 secs Computing kpt #: 238 total cpu time spent up to now is 197.8 secs Computing kpt #: 239 total cpu time spent up to now is 198.7 secs Computing kpt #: 240 total cpu time spent up to now is 199.6 secs Computing kpt #: 241 total cpu time spent up to now is 200.4 secs Computing kpt #: 242 total cpu time spent up to now is 201.3 secs Computing kpt #: 243 total cpu time spent up to now is 202.1 secs Computing kpt #: 244 total cpu time spent up to now is 203.0 secs Computing kpt #: 245 total cpu time spent up to now is 203.9 secs Computing kpt #: 246 total cpu time spent up to now is 204.7 secs Computing kpt #: 247 total cpu time spent up to now is 205.7 secs Computing kpt #: 248 total cpu time spent up to now is 206.6 secs Computing kpt #: 249 total cpu time spent up to now is 207.5 secs Computing kpt #: 250 total cpu time spent up to now is 208.4 secs Computing kpt #: 251 total cpu time spent up to now is 209.3 secs Computing kpt #: 252 total cpu time spent up to now is 210.1 secs Computing kpt #: 253 total cpu time spent up to now is 211.0 secs Computing kpt #: 254 total cpu time spent up to now is 211.9 secs Computing kpt #: 255 total cpu time spent up to now is 212.8 secs Computing kpt #: 256 total cpu time spent up to now is 213.7 secs Computing kpt #: 257 total cpu time spent up to now is 214.5 secs Computing kpt #: 258 total cpu time spent up to now is 215.4 secs Computing kpt #: 259 total cpu time spent up to now is 216.3 secs Computing kpt #: 260 total cpu time spent up to now is 217.2 secs Computing kpt #: 261 total cpu time spent up to now is 218.0 secs Computing kpt #: 262 total cpu time spent up to now is 219.0 secs Computing kpt #: 263 total cpu time spent up to now is 220.0 secs Computing kpt #: 264 total cpu time spent up to now is 221.0 secs Computing kpt #: 265 total cpu time spent up to now is 222.1 secs Computing kpt #: 266 total cpu time spent up to now is 223.1 secs Computing kpt #: 267 total cpu time spent up to now is 224.2 secs Computing kpt #: 268 total cpu time spent up to now is 225.1 secs Computing kpt #: 269 total cpu time spent up to now is 225.8 secs Computing kpt #: 270 total cpu time spent up to now is 226.6 secs Computing kpt #: 271 total cpu time spent up to now is 227.3 secs Computing kpt #: 272 total cpu time spent up to now is 227.9 secs Computing kpt #: 273 total cpu time spent up to now is 228.5 secs Computing kpt #: 274 total cpu time spent up to now is 229.2 secs Computing kpt #: 275 total cpu time spent up to now is 229.8 secs Computing kpt #: 276 total cpu time spent up to now is 230.5 secs Computing kpt #: 277 total cpu time spent up to now is 231.1 secs Computing kpt #: 278 total cpu time spent up to now is 231.7 secs Computing kpt #: 279 total cpu time spent up to now is 232.4 secs Computing kpt #: 280 total cpu time spent up to now is 233.2 secs Computing kpt #: 281 total cpu time spent up to now is 234.0 secs Computing kpt #: 282 total cpu time spent up to now is 234.8 secs Computing kpt #: 283 total cpu time spent up to now is 235.6 secs Computing kpt #: 284 total cpu time spent up to now is 236.4 secs Computing kpt #: 285 total cpu time spent up to now is 237.2 secs Computing kpt #: 286 total cpu time spent up to now is 238.1 secs Computing kpt #: 287 total cpu time spent up to now is 238.9 secs Computing kpt #: 288 total cpu time spent up to now is 239.7 secs Computing kpt #: 289 total cpu time spent up to now is 240.6 secs Computing kpt #: 290 total cpu time spent up to now is 241.4 secs Computing kpt #: 291 total cpu time spent up to now is 242.3 secs Computing kpt #: 292 total cpu time spent up to now is 243.1 secs Computing kpt #: 293 total cpu time spent up to now is 243.9 secs Computing kpt #: 294 total cpu time spent up to now is 244.7 secs Computing kpt #: 295 total cpu time spent up to now is 245.5 secs Computing kpt #: 296 total cpu time spent up to now is 246.7 secs Computing kpt #: 297 total cpu time spent up to now is 247.6 secs Computing kpt #: 298 total cpu time spent up to now is 248.4 secs Computing kpt #: 299 total cpu time spent up to now is 249.3 secs Computing kpt #: 300 total cpu time spent up to now is 250.2 secs Computing kpt #: 301 total cpu time spent up to now is 251.1 secs Computing kpt #: 302 total cpu time spent up to now is 252.1 secs Computing kpt #: 303 total cpu time spent up to now is 253.2 secs Computing kpt #: 304 total cpu time spent up to now is 254.3 secs Computing kpt #: 305 total cpu time spent up to now is 255.4 secs Computing kpt #: 306 total cpu time spent up to now is 256.5 secs Computing kpt #: 307 total cpu time spent up to now is 257.5 secs Computing kpt #: 308 total cpu time spent up to now is 258.4 secs Computing kpt #: 309 total cpu time spent up to now is 259.4 secs Computing kpt #: 310 total cpu time spent up to now is 260.3 secs Computing kpt #: 311 total cpu time spent up to now is 261.2 secs Computing kpt #: 312 total cpu time spent up to now is 262.0 secs Computing kpt #: 313 total cpu time spent up to now is 262.9 secs Computing kpt #: 314 total cpu time spent up to now is 263.8 secs Computing kpt #: 315 total cpu time spent up to now is 264.6 secs Computing kpt #: 316 total cpu time spent up to now is 265.5 secs Computing kpt #: 317 total cpu time spent up to now is 266.3 secs Computing kpt #: 318 total cpu time spent up to now is 267.1 secs Computing kpt #: 319 total cpu time spent up to now is 267.9 secs Computing kpt #: 320 total cpu time spent up to now is 268.7 secs Computing kpt #: 321 total cpu time spent up to now is 269.6 secs Computing kpt #: 322 total cpu time spent up to now is 270.4 secs Computing kpt #: 323 total cpu time spent up to now is 271.3 secs Computing kpt #: 324 total cpu time spent up to now is 272.2 secs Computing kpt #: 325 total cpu time spent up to now is 273.0 secs Computing kpt #: 326 total cpu time spent up to now is 273.9 secs Computing kpt #: 327 total cpu time spent up to now is 274.9 secs Computing kpt #: 328 total cpu time spent up to now is 275.8 secs ethr = 2.50E-08, avg # of iterations = 28.8 total cpu time spent up to now is 275.8 secs End of band structure calculation k = 0.0000 0.0000 0.0000 ( 5141 PWs) bands (ev): -21.1046 -21.1046 -21.0844 -21.0844 -5.8600 -5.8600 -5.7601 -5.7601 -5.5302 -5.5302 -5.0937 -5.0937 -4.9790 -4.9790 -4.8564 -4.8564 -4.8208 -4.8208 -4.1807 -4.1807 1.1427 1.1427 1.6275 1.6275 2.9188 2.9188 3.8641 3.8641 3.9021 3.9021 3.9023 3.9023 4.6591 4.6591 4.9898 4.9898 5.8789 5.8789 6.0242 6.0242 8.1248 8.1248 8.1412 8.1412 8.4367 8.4367 9.2763 9.2763 k =-0.0063 0.0075 0.0198 ( 5137 PWs) bands (ev): -21.1045 -21.1045 -21.0844 -21.0844 -5.8600 -5.8600 -5.7604 -5.7604 -5.5291 -5.5291 -5.0935 -5.0935 -4.9788 -4.9788 -4.8569 -4.8569 -4.8211 -4.8211 -4.1810 -4.1810 1.1442 1.1442 1.6279 1.6279 2.9191 2.9191 3.8415 3.8415 3.8748 3.8748 3.9476 3.9476 4.6544 4.6544 4.9933 4.9933 5.8767 5.8767 6.0238 6.0238 8.1262 8.1262 8.1478 8.1478 8.4260 8.4260 9.2787 9.2787 k =-0.0127 0.0150 0.0397 ( 5149 PWs) bands (ev): -21.1044 -21.1044 -21.0842 -21.0842 -5.8600 -5.8600 -5.7613 -5.7613 -5.5257 -5.5257 -5.0930 -5.0930 -4.9782 -4.9782 -4.8586 -4.8586 -4.8218 -4.8218 -4.1817 -4.1817 1.1486 1.1486 1.6289 1.6289 2.9201 2.9201 3.7938 3.7938 3.8626 3.8626 3.9939 3.9939 4.6416 4.6416 5.0030 5.0030 5.8704 5.8704 6.0223 6.0223 8.1320 8.1320 8.1657 8.1657 8.3950 8.3950 9.2858 9.2858 k =-0.0190 0.0225 0.0595 ( 5145 PWs) bands (ev): -21.1041 -21.1041 -21.0840 -21.0840 -5.8601 -5.8601 -5.7626 -5.7626 -5.5200 -5.5200 -5.0922 -5.0922 -4.9773 -4.9773 -4.8612 -4.8612 -4.8230 -4.8230 -4.1830 -4.1830 1.1559 1.1559 1.6307 1.6307 2.9217 2.9217 3.7419 3.7419 3.8459 3.8459 4.0386 4.0386 4.6238 4.6238 5.0168 5.0168 5.8603 5.8603 6.0195 6.0195 8.1432 8.1432 8.1925 8.1925 8.3470 8.3470 9.2977 9.2977 k =-0.0253 0.0300 0.0793 ( 5137 PWs) bands (ev): -21.1038 -21.1038 -21.0838 -21.0838 -5.8602 -5.8602 -5.7645 -5.7645 -5.5122 -5.5122 -5.0911 -5.0911 -4.9759 -4.9759 -4.8650 -4.8650 -4.8246 -4.8246 -4.1848 -4.1848 1.1661 1.1661 1.6333 1.6333 2.9238 2.9238 3.6877 3.6877 3.8228 3.8228 4.0810 4.0810 4.6047 4.6047 5.0324 5.0324 5.8467 5.8467 6.0154 6.0154 8.1597 8.1597 8.2225 8.2225 8.2903 8.2903 9.3142 9.3142 k =-0.0317 0.0375 0.0992 ( 5149 PWs) bands (ev): -21.1034 -21.1034 -21.0834 -21.0834 -5.8604 -5.8604 -5.7668 -5.7668 -5.5024 -5.5024 -5.0896 -5.0896 -4.9742 -4.9742 -4.8697 -4.8697 -4.8265 -4.8265 -4.1871 -4.1871 1.1792 1.1792 1.6367 1.6367 2.9264 2.9264 3.6306 3.6306 3.7933 3.7933 4.1201 4.1201 4.5882 4.5882 5.0482 5.0482 5.8300 5.8300 6.0096 6.0096 8.1801 8.1801 8.1982 8.1982 8.2867 8.2867 9.3351 9.3351 k =-0.0380 0.0450 0.1190 ( 5153 PWs) bands (ev): -21.1029 -21.1029 -21.0830 -21.0830 -5.8607 -5.8607 -5.7695 -5.7695 -5.4906 -5.4906 -5.0879 -5.0879 -4.9721 -4.9721 -4.8753 -4.8753 -4.8287 -4.8287 -4.1899 -4.1899 1.1951 1.1951 1.6409 1.6409 2.9291 2.9291 3.5697 3.5697 3.7583 3.7583 4.1550 4.1550 4.5771 4.5771 5.0630 5.0630 5.8103 5.8103 6.0020 6.0020 8.1211 8.1211 8.2083 8.2083 8.3332 8.3332 9.3603 9.3603 k =-0.0444 0.0525 0.1388 ( 5159 PWs) bands (ev): -21.1023 -21.1023 -21.0825 -21.0825 -5.8610 -5.8610 -5.7726 -5.7726 -5.4770 -5.4770 -5.0858 -5.0858 -4.9696 -4.9696 -4.8818 -4.8818 -4.8311 -4.8311 -4.1932 -4.1932 1.2138 1.2138 1.6461 1.6461 2.9317 2.9317 3.5041 3.5041 3.7191 3.7191 4.1850 4.1850 4.5737 4.5737 5.0762 5.0762 5.7876 5.7876 5.9924 5.9924 8.0403 8.0403 8.2389 8.2389 8.3884 8.3884 9.3894 9.3894 k =-0.0507 0.0600 0.1587 ( 5161 PWs) bands (ev): -21.1016 -21.1016 -21.0819 -21.0819 -5.8614 -5.8614 -5.7761 -5.7761 -5.4618 -5.4618 -5.0835 -5.0835 -4.9668 -4.9668 -4.8890 -4.8890 -4.8336 -4.8336 -4.1969 -4.1969 1.2352 1.2352 1.6524 1.6524 2.9338 2.9338 3.4327 3.4327 3.6778 3.6778 4.2094 4.2094 4.5788 4.5788 5.0876 5.0876 5.7615 5.7615 5.9807 5.9807 7.9599 7.9599 8.2736 8.2736 8.4483 8.4483 9.4223 9.4223 k =-0.0570 0.0675 0.1785 ( 5163 PWs) bands (ev): -21.1008 -21.1008 -21.0813 -21.0813 -5.8619 -5.8619 -5.7798 -5.7798 -5.4452 -5.4452 -5.0809 -5.0809 -4.9636 -4.9636 -4.8970 -4.8970 -4.8359 -4.8359 -4.2010 -4.2010 1.2593 1.2593 1.6597 1.6597 2.9346 2.9346 3.3552 3.3552 3.6365 3.6365 4.2286 4.2286 4.5920 4.5920 5.0974 5.0974 5.7314 5.7314 5.9667 5.9667 7.8834 7.8834 8.3119 8.3119 8.5112 8.5112 9.4585 9.4585 k =-0.0634 0.0750 0.1983 ( 5167 PWs) bands (ev): -21.1000 -21.1000 -21.0806 -21.0806 -5.8625 -5.8625 -5.7839 -5.7839 -5.4273 -5.4273 -5.0781 -5.0781 -4.9601 -4.9601 -4.9055 -4.9055 -4.8380 -4.8380 -4.2055 -4.2055 1.2859 1.2859 1.6683 1.6683 2.9330 2.9330 3.2724 3.2724 3.5969 3.5969 4.2435 4.2435 4.6114 4.6114 5.1058 5.1058 5.6966 5.6966 5.9504 5.9504 7.8137 7.8137 8.3533 8.3533 8.5761 8.5761 9.4977 9.4977 k =-0.0697 0.0824 0.2181 ( 5173 PWs) bands (ev): -21.0991 -21.0991 -21.0799 -21.0799 -5.8632 -5.8632 -5.7884 -5.7884 -5.4083 -5.4083 -5.0751 -5.0751 -4.9564 -4.9564 -4.9144 -4.9144 -4.8396 -4.8396 -4.2104 -4.2104 1.3149 1.3149 1.6782 1.6782 2.9261 2.9261 3.1873 3.1873 3.5602 3.5602 4.2552 4.2552 4.6346 4.6346 5.1138 5.1138 5.6564 5.6564 5.9317 5.9317 7.7529 7.7529 8.3971 8.3971 8.6422 8.6422 9.5395 9.5395 k =-0.0760 0.0899 0.2380 ( 5169 PWs) bands (ev): -21.0981 -21.0981 -21.0791 -21.0791 -5.8641 -5.8641 -5.7931 -5.7931 -5.3886 -5.3886 -5.0718 -5.0718 -4.9526 -4.9526 -4.9235 -4.9235 -4.8406 -4.8406 -4.2156 -4.2156 1.3463 1.3463 1.6893 1.6893 2.9075 2.9075 3.1070 3.1070 3.5274 3.5274 4.2649 4.2649 4.6586 4.6586 5.1223 5.1223 5.6102 5.6102 5.9106 5.9106 7.7028 7.7028 8.4428 8.4428 8.7087 8.7087 9.5834 9.5834 k =-0.0824 0.0974 0.2578 ( 5165 PWs) bands (ev): -21.0971 -21.0971 -21.0782 -21.0782 -5.8651 -5.8651 -5.7981 -5.7981 -5.3684 -5.3684 -5.0684 -5.0684 -4.9495 -4.9495 -4.9319 -4.9319 -4.8406 -4.8406 -4.2211 -4.2211 1.3799 1.3799 1.7019 1.7019 2.8642 2.8642 3.0453 3.0453 3.4990 3.4990 4.2734 4.2734 4.6806 4.6806 5.1326 5.1326 5.5574 5.5574 5.8874 5.8874 7.6644 7.6644 8.4895 8.4895 8.7753 8.7753 9.6289 9.6289 k =-0.0887 0.1049 0.2776 ( 5169 PWs) bands (ev): -21.0960 -21.0960 -21.0774 -21.0774 -5.8663 -5.8663 -5.8034 -5.8034 -5.3479 -5.3479 -5.0649 -5.0649 -4.9504 -4.9504 -4.9361 -4.9361 -4.8394 -4.8394 -4.2269 -4.2269 1.4154 1.4154 1.7158 1.7158 2.7895 2.7895 3.0101 3.0101 3.4753 3.4753 4.2813 4.2813 4.6979 4.6979 5.1462 5.1462 5.4981 5.4981 5.8621 5.8621 7.6383 7.6383 8.5364 8.5364 8.8413 8.8413 9.6751 9.6751 k =-0.0951 0.1124 0.2975 ( 5169 PWs) bands (ev): -21.0949 -21.0949 -21.0765 -21.0765 -5.8677 -5.8677 -5.8091 -5.8091 -5.3277 -5.3277 -5.0614 -5.0614 -4.9577 -4.9577 -4.9337 -4.9337 -4.8367 -4.8367 -4.2328 -4.2328 1.4527 1.4527 1.7308 1.7308 2.6952 2.6952 2.9906 2.9906 3.4568 3.4568 4.2890 4.2890 4.7080 4.7080 5.1641 5.1641 5.4330 5.4330 5.8351 5.8351 7.6245 7.6245 8.5823 8.5823 8.9065 8.9065 9.7200 9.7200 k =-0.1014 0.1199 0.3173 ( 5153 PWs) bands (ev): -21.0938 -21.0938 -21.0755 -21.0755 -5.8692 -5.8692 -5.8150 -5.8150 -5.3080 -5.3080 -5.0579 -5.0579 -4.9669 -4.9669 -4.9290 -4.9290 -4.8321 -4.8321 -4.2390 -4.2390 1.4914 1.4914 1.7467 1.7467 2.5934 2.5934 2.9763 2.9763 3.4435 3.4435 4.2967 4.2967 4.7091 4.7091 5.1858 5.1858 5.3639 5.3639 5.8066 5.8066 7.6225 7.6225 8.6262 8.6262 8.9704 8.9704 9.7587 9.7587 k =-0.1077 0.1274 0.3371 ( 5157 PWs) bands (ev): -21.0926 -21.0926 -21.0746 -21.0746 -5.8710 -5.8710 -5.8212 -5.8212 -5.2893 -5.2893 -5.0547 -5.0547 -4.9762 -4.9762 -4.9237 -4.9237 -4.8252 -4.8252 -4.2452 -4.2452 1.5313 1.5313 1.7627 1.7627 2.4902 2.4902 2.9627 2.9627 3.4355 3.4355 4.3044 4.3044 4.7004 4.7004 5.2041 5.2041 5.2994 5.2994 5.7769 5.7769 7.6315 7.6315 8.6666 8.6666 9.0322 9.0322 9.7732 9.7732 k =-0.1141 0.1349 0.3570 ( 5157 PWs) bands (ev): -21.0913 -21.0913 -21.0736 -21.0736 -5.8729 -5.8729 -5.8276 -5.8276 -5.2719 -5.2719 -5.0519 -5.0519 -4.9851 -4.9851 -4.9181 -4.9181 -4.8156 -4.8156 -4.2515 -4.2515 1.5716 1.5716 1.7775 1.7775 2.3903 2.3903 2.9483 2.9483 3.4324 3.4324 4.3122 4.3122 4.6815 4.6815 5.1775 5.1775 5.2818 5.2818 5.7461 5.7461 7.6504 7.6504 8.7022 8.7022 9.0907 9.0907 9.7280 9.7280 k =-0.1204 0.1424 0.3768 ( 5165 PWs) bands (ev): -21.0901 -21.0901 -21.0726 -21.0726 -5.8751 -5.8751 -5.8343 -5.8343 -5.2562 -5.2562 -5.0500 -5.0500 -4.9930 -4.9930 -4.9126 -4.9126 -4.8030 -4.8030 -4.2578 -4.2578 1.6112 1.6112 1.7888 1.7888 2.2987 2.2987 2.9325 2.9325 3.4340 3.4340 4.3197 4.3197 4.6526 4.6526 5.1062 5.1062 5.3113 5.3113 5.7149 5.7149 7.6780 7.6780 8.7314 8.7314 9.1431 9.1431 9.6408 9.6408 k =-0.1267 0.1499 0.3966 ( 5159 PWs) bands (ev): -21.0889 -21.0889 -21.0717 -21.0717 -5.8774 -5.8774 -5.8412 -5.8412 -5.2424 -5.2424 -5.0495 -5.0495 -4.9992 -4.9992 -4.9072 -4.9072 -4.7873 -4.7873 -4.2640 -4.2640 1.6472 1.6472 1.7932 1.7932 2.2225 2.2225 2.9154 2.9154 3.4397 3.4397 4.3268 4.3268 4.6140 4.6140 5.0275 5.0275 5.3507 5.3507 5.6838 5.6838 7.7130 7.7130 8.7527 8.7527 9.1827 9.1827 9.5536 9.5536 k =-0.1331 0.1574 0.4165 ( 5155 PWs) bands (ev): -21.0876 -21.0876 -21.0707 -21.0707 -5.8799 -5.8799 -5.8482 -5.8482 -5.2306 -5.2306 -5.0510 -5.0510 -5.0032 -5.0032 -4.9021 -4.9021 -4.7684 -4.7684 -4.2700 -4.2700 1.6705 1.6705 1.7917 1.7917 2.1706 2.1706 2.8972 2.8972 3.4489 3.4489 4.3325 4.3325 4.5667 4.5667 4.9489 4.9489 5.3919 5.3919 5.6542 5.6542 7.7543 7.7543 8.7649 8.7649 9.1933 9.1933 9.4940 9.4940 k =-0.1394 0.1649 0.4363 ( 5147 PWs) bands (ev): -21.0864 -21.0864 -21.0697 -21.0697 -5.8827 -5.8827 -5.8554 -5.8554 -5.2208 -5.2208 -5.0546 -5.0546 -5.0047 -5.0047 -4.8973 -4.8973 -4.7464 -4.7464 -4.2758 -4.2758 1.6589 1.6589 1.8015 1.8015 2.1487 2.1487 2.8783 2.8783 3.4610 3.4610 4.3348 4.3348 4.5132 4.5132 4.8728 4.8728 5.4295 5.4295 5.6296 5.6296 7.8007 7.8007 8.7668 8.7668 9.1579 9.1579 9.4828 9.4828 k =-0.1457 0.1724 0.4561 ( 5147 PWs) bands (ev): -21.0851 -21.0851 -21.0688 -21.0688 -5.8857 -5.8857 -5.8625 -5.8625 -5.2130 -5.2130 -5.0599 -5.0599 -5.0042 -5.0042 -4.8928 -4.8928 -4.7217 -4.7217 -4.2813 -4.2813 1.6068 1.6068 1.8317 1.8317 2.1537 2.1537 2.8590 2.8590 3.4753 3.4753 4.3267 4.3267 4.4613 4.4613 4.8001 4.8001 5.4545 5.4545 5.6179 5.6179 7.8510 7.8510 8.7579 8.7579 9.0879 9.0879 9.5101 9.5101 k =-0.1521 0.1799 0.4760 ( 5163 PWs) bands (ev): -21.0839 -21.0839 -21.0679 -21.0679 -5.8890 -5.8890 -5.8695 -5.8695 -5.2071 -5.2071 -5.0662 -5.0662 -5.0024 -5.0024 -4.8887 -4.8887 -4.6946 -4.6946 -4.2865 -4.2865 1.5332 1.5332 1.8719 1.8719 2.1776 2.1776 2.8396 2.8396 3.4912 3.4912 4.2932 4.2932 4.4277 4.4277 4.7306 4.7306 5.4559 5.4559 5.6297 5.6297 7.9043 7.9043 8.7382 8.7382 9.0050 9.0050 9.5551 9.5551 k =-0.1584 0.1874 0.4958 ( 5162 PWs) bands (ev): -21.0827 -21.0827 -21.0670 -21.0670 -5.8926 -5.8926 -5.8761 -5.8761 -5.2028 -5.2028 -5.0729 -5.0729 -4.9997 -4.9997 -4.8850 -4.8850 -4.6657 -4.6657 -4.2911 -4.2911 1.4508 1.4508 1.9162 1.9162 2.2136 2.2136 2.8205 2.8205 3.5080 3.5080 4.2302 4.2302 4.4183 4.4183 4.6637 4.6637 5.4356 5.4356 5.6622 5.6622 7.9596 7.9596 8.7082 8.7082 8.9204 8.9204 9.6071 9.6071 k =-0.1648 0.1949 0.5156 ( 5158 PWs) bands (ev): -21.0816 -21.0816 -21.0661 -21.0661 -5.8968 -5.8968 -5.8823 -5.8823 -5.2000 -5.2000 -5.0795 -5.0795 -4.9967 -4.9967 -4.8817 -4.8817 -4.6352 -4.6352 -4.2953 -4.2953 1.3658 1.3658 1.9631 1.9631 2.2574 2.2574 2.8019 2.8019 3.5248 3.5248 4.1523 4.1523 4.4207 4.4207 4.5989 4.5989 5.4040 5.4040 5.7048 5.7048 8.0158 8.0158 8.6692 8.6692 8.8384 8.8384 9.6621 9.6621 k =-0.1711 0.2024 0.5355 ( 5158 PWs) bands (ev): -21.0805 -21.0805 -21.0653 -21.0653 -5.9017 -5.9017 -5.8876 -5.8876 -5.1986 -5.1986 -5.0858 -5.0858 -4.9935 -4.9935 -4.8788 -4.8788 -4.6039 -4.6039 -4.2988 -4.2988 1.2816 1.2816 2.0118 2.0118 2.3064 2.3064 2.7842 2.7842 3.5404 3.5404 4.0693 4.0693 4.4265 4.4265 4.5364 4.5364 5.3670 5.3670 5.7509 5.7509 8.0722 8.0722 8.6228 8.6228 8.7607 8.7607 9.7184 9.7184 k =-0.1774 0.2099 0.5553 ( 5140 PWs) bands (ev): -21.0794 -21.0794 -21.0646 -21.0646 -5.9073 -5.9073 -5.8920 -5.8920 -5.1983 -5.1983 -5.0917 -5.0917 -4.9902 -4.9902 -4.8765 -4.8765 -4.5721 -4.5721 -4.3016 -4.3016 1.2000 1.2000 2.0622 2.0622 2.3589 2.3589 2.7675 2.7675 3.5529 3.5529 3.9866 3.9866 4.4262 4.4262 4.4830 4.4830 5.3272 5.3272 5.7976 5.7976 8.1276 8.1276 8.5714 8.5714 8.6877 8.6877 9.7751 9.7751 k =-0.1838 0.2174 0.5751 ( 5144 PWs) bands (ev): -21.0784 -21.0784 -21.0639 -21.0639 -5.9133 -5.9133 -5.8958 -5.8958 -5.1991 -5.1991 -5.0970 -5.0970 -4.9870 -4.9870 -4.8748 -4.8748 -4.5403 -4.5403 -4.3036 -4.3036 1.1225 1.1225 2.1142 2.1142 2.4132 2.4132 2.7524 2.7524 3.5590 3.5590 3.9092 3.9092 4.3894 4.3894 4.4678 4.4678 5.2858 5.2858 5.8434 5.8434 8.1814 8.1814 8.5173 8.5173 8.6193 8.6193 9.8319 9.8319 k =-0.1901 0.2249 0.5949 ( 5152 PWs) bands (ev): -21.0774 -21.0774 -21.0633 -21.0633 -5.9195 -5.9195 -5.8990 -5.8990 -5.2009 -5.2009 -5.1018 -5.1018 -4.9839 -4.9839 -4.8736 -4.8736 -4.5089 -4.5089 -4.3047 -4.3047 1.0499 1.0499 2.1677 2.1677 2.4681 2.4681 2.7391 2.7391 3.5529 3.5529 3.8439 3.8439 4.3302 4.3302 4.4768 4.4768 5.2435 5.2435 5.8870 5.8870 8.2324 8.2324 8.4631 8.4631 8.5556 8.5556 9.8883 9.8883 k =-0.1964 0.2324 0.6148 ( 5144 PWs) bands (ev): -21.0765 -21.0765 -21.0627 -21.0627 -5.9257 -5.9257 -5.9017 -5.9017 -5.2034 -5.2034 -5.1059 -5.1059 -4.9810 -4.9810 -4.8730 -4.8730 -4.4784 -4.4784 -4.3050 -4.3050 0.9830 0.9830 2.2226 2.2226 2.5216 2.5216 2.7288 2.7288 3.5268 3.5268 3.7990 3.7990 4.2679 4.2679 4.4908 4.4908 5.2006 5.2006 5.9276 5.9276 8.2793 8.2793 8.4108 8.4108 8.4968 8.4968 9.9444 9.9444 k =-0.2028 0.2398 0.6346 ( 5136 PWs) bands (ev): -21.0757 -21.0757 -21.0622 -21.0622 -5.9316 -5.9316 -5.9041 -5.9041 -5.2067 -5.2067 -5.1095 -5.1095 -4.9782 -4.9782 -4.8730 -4.8730 -4.4492 -4.4492 -4.3042 -4.3042 0.9223 0.9223 2.2785 2.2785 2.5711 2.5711 2.7233 2.7233 3.4785 3.4785 3.7772 3.7772 4.2060 4.2060 4.5070 4.5070 5.1576 5.1576 5.9643 5.9643 8.3166 8.3166 8.3664 8.3664 8.4434 8.4434 9.9999 9.9999 k =-0.2091 0.2473 0.6544 ( 5144 PWs) bands (ev): -21.0749 -21.0749 -21.0618 -21.0618 -5.9373 -5.9373 -5.9061 -5.9061 -5.2107 -5.2107 -5.1124 -5.1124 -4.9757 -4.9757 -4.8737 -4.8737 -4.4216 -4.4216 -4.3025 -4.3025 0.8684 0.8684 2.3346 2.3346 2.6116 2.6116 2.7267 2.7267 3.4149 3.4149 3.7719 3.7719 4.1461 4.1461 4.5250 4.5250 5.1148 5.1148 5.9961 5.9961 8.3030 8.3030 8.3712 8.3712 8.3966 8.3966 10.0548 10.0548 k =-0.2155 0.2548 0.6743 ( 5132 PWs) bands (ev): -21.0742 -21.0742 -21.0615 -21.0615 -5.9426 -5.9426 -5.9078 -5.9078 -5.2152 -5.2152 -5.1149 -5.1149 -4.9735 -4.9735 -4.8749 -4.8749 -4.3961 -4.3961 -4.2997 -4.2997 0.8217 0.8217 2.3899 2.3899 2.6372 2.6372 2.7442 2.7442 3.3449 3.3449 3.7745 3.7745 4.0899 4.0899 4.5444 4.5444 5.0727 5.0727 6.0222 6.0222 8.2635 8.2635 8.3539 8.3539 8.4031 8.4031 10.1091 10.1091 k =-0.2218 0.2623 0.6941 ( 5122 PWs) bands (ev): -21.0736 -21.0736 -21.0612 -21.0612 -5.9476 -5.9476 -5.9091 -5.9091 -5.2203 -5.2203 -5.1168 -5.1168 -4.9714 -4.9714 -4.8768 -4.8768 -4.3728 -4.3728 -4.2958 -4.2958 0.7826 0.7826 2.4418 2.4418 2.6504 2.6504 2.7727 2.7727 3.2748 3.2748 3.7795 3.7795 4.0395 4.0395 4.5652 4.5652 5.0317 5.0317 6.0417 6.0417 8.2274 8.2274 8.3197 8.3197 8.4295 8.4295 10.1626 10.1626 k =-0.2281 0.2698 0.7139 ( 5124 PWs) bands (ev): -21.0731 -21.0731 -21.0610 -21.0610 -5.9521 -5.9521 -5.9100 -5.9100 -5.2259 -5.2259 -5.1183 -5.1183 -4.9697 -4.9697 -4.8791 -4.8791 -4.3522 -4.3522 -4.2908 -4.2908 0.7514 0.7514 2.4865 2.4865 2.6614 2.6614 2.8023 2.8023 3.2092 3.2092 3.7835 3.7835 3.9974 3.9974 4.5871 4.5871 4.9925 4.9925 6.0539 6.0539 8.1978 8.1978 8.2917 8.2917 8.4498 8.4498 10.2152 10.2152 k =-0.2345 0.2773 0.7338 ( 5138 PWs) bands (ev): -21.0727 -21.0727 -21.0609 -21.0609 -5.9561 -5.9561 -5.9105 -5.9105 -5.2319 -5.2319 -5.1195 -5.1195 -4.9683 -4.9683 -4.8820 -4.8820 -4.3344 -4.3344 -4.2847 -4.2847 0.7283 0.7283 2.5185 2.5185 2.6769 2.6769 2.8257 2.8257 3.1528 3.1528 3.7845 3.7845 3.9663 3.9663 4.6096 4.6096 4.9557 4.9557 6.0582 6.0582 8.1762 8.1762 8.2702 8.2702 8.4632 8.4632 10.2667 10.2667 k =-0.2408 0.2848 0.7536 ( 5134 PWs) bands (ev): -21.0723 -21.0723 -21.0609 -21.0609 -5.9598 -5.9598 -5.9107 -5.9107 -5.2383 -5.2383 -5.1203 -5.1203 -4.9671 -4.9671 -4.8853 -4.8853 -4.3195 -4.3195 -4.2775 -4.2775 0.7136 0.7136 2.5352 2.5352 2.6952 2.6952 2.8404 2.8404 3.1114 3.1114 3.7825 3.7825 3.9477 3.9477 4.6317 4.6317 4.9227 4.9227 6.0542 6.0542 8.1634 8.1634 8.2549 8.2549 8.4692 8.4692 10.3163 10.3163 k =-0.2471 0.2923 0.7734 ( 5138 PWs) bands (ev): -21.0721 -21.0721 -21.0610 -21.0610 -5.9630 -5.9630 -5.9104 -5.9104 -5.2451 -5.2451 -5.1208 -5.1208 -4.9663 -4.9663 -4.8889 -4.8889 -4.3074 -4.3074 -4.2697 -4.2697 0.7074 0.7074 2.5389 2.5389 2.7040 2.7040 2.8483 2.8483 3.0912 3.0912 3.7795 3.7795 3.9410 3.9410 4.6516 4.6516 4.8955 4.8955 6.0418 6.0418 8.1599 8.1599 8.2457 8.2457 8.4677 8.4677 10.3561 10.3561 k =-0.2535 0.2998 0.7933 ( 5144 PWs) bands (ev): -21.0719 -21.0719 -21.0612 -21.0612 -5.9658 -5.9658 -5.9097 -5.9097 -5.2522 -5.2522 -5.1211 -5.1211 -4.9658 -4.9658 -4.8927 -4.8927 -4.2978 -4.2978 -4.2616 -4.2616 0.7098 0.7098 2.5328 2.5328 2.6935 2.6935 2.8507 2.8507 3.0968 3.0968 3.7783 3.7783 3.9441 3.9441 4.6660 4.6660 4.8776 4.8776 6.0211 6.0211 8.1657 8.1657 8.2425 8.2425 8.4588 8.4588 10.3294 10.3294 k =-0.2598 0.3073 0.8131 ( 5152 PWs) bands (ev): -21.0718 -21.0718 -21.0614 -21.0614 -5.9681 -5.9681 -5.9087 -5.9087 -5.2597 -5.2597 -5.1212 -5.1212 -4.9655 -4.9655 -4.8966 -4.8966 -4.2905 -4.2905 -4.2533 -4.2533 0.7206 0.7206 2.5174 2.5174 2.6686 2.6686 2.8421 2.8421 3.1283 3.1283 3.7800 3.7800 3.9557 3.9557 4.6711 4.6711 4.8728 4.8728 5.9925 5.9925 8.1802 8.1802 8.2451 8.2451 8.4429 8.4429 10.2807 10.2807 k =-0.2661 0.3148 0.8329 ( 5148 PWs) bands (ev): -21.0718 -21.0718 -21.0618 -21.0618 -5.9702 -5.9702 -5.9072 -5.9072 -5.2674 -5.2674 -5.1211 -5.1211 -4.9656 -4.9656 -4.9006 -4.9006 -4.2855 -4.2855 -4.2448 -4.2448 0.7400 0.7400 2.4910 2.4910 2.6404 2.6404 2.8197 2.8197 3.1801 3.1801 3.7838 3.7838 3.9755 3.9755 4.6652 4.6652 4.8829 4.8829 5.9568 5.9568 8.2021 8.2021 8.2535 8.2535 8.4215 8.4215 10.2342 10.2342 k =-0.2725 0.3223 0.8528 ( 5144 PWs) bands (ev): -21.0719 -21.0719 -21.0622 -21.0622 -5.9719 -5.9719 -5.9055 -5.9055 -5.2755 -5.2755 -5.1210 -5.1210 -4.9659 -4.9659 -4.9045 -4.9045 -4.2832 -4.2832 -4.2360 -4.2360 0.7677 0.7677 2.4531 2.4531 2.6153 2.6153 2.7871 2.7871 3.2443 3.2443 3.7879 3.7879 4.0035 4.0035 4.6508 4.6508 4.9056 4.9056 5.9147 5.9147 8.2279 8.2279 8.2673 8.2673 8.3980 8.3980 10.1915 10.1915 k =-0.2788 0.3298 0.8726 ( 5146 PWs) bands (ev): -21.0721 -21.0721 -21.0627 -21.0627 -5.9733 -5.9733 -5.9034 -5.9034 -5.2838 -5.2838 -5.1208 -5.1208 -4.9664 -4.9664 -4.9082 -4.9082 -4.2835 -4.2835 -4.2265 -4.2265 0.8036 0.8036 2.4064 2.4064 2.5919 2.5919 2.7502 2.7502 3.3150 3.3150 3.7916 3.7916 4.0394 4.0394 4.6316 4.6316 4.9367 4.9367 5.8672 5.8672 8.2474 8.2474 8.2866 8.2866 8.3825 8.3825 10.1530 10.1530 k =-0.2852 0.3373 0.8924 ( 5144 PWs) bands (ev): -21.0724 -21.0724 -21.0633 -21.0633 -5.9746 -5.9746 -5.9011 -5.9011 -5.2923 -5.2923 -5.1206 -5.1206 -4.9671 -4.9671 -4.9116 -4.9116 -4.2864 -4.2864 -4.2164 -4.2164 0.8473 0.8473 2.3545 2.3545 2.5648 2.5648 2.7158 2.7158 3.3874 3.3874 3.7955 3.7955 4.0822 4.0822 4.6106 4.6106 4.9734 4.9734 5.8151 5.8151 8.2404 8.2404 8.3127 8.3127 8.3937 8.3937 10.1185 10.1185 k =-0.2852 0.3373 0.8924 ( 5144 PWs) bands (ev): -21.0724 -21.0724 -21.0633 -21.0633 -5.9746 -5.9746 -5.9011 -5.9011 -5.2923 -5.2923 -5.1206 -5.1206 -4.9671 -4.9671 -4.9116 -4.9116 -4.2864 -4.2864 -4.2164 -4.2164 0.8473 0.8473 2.3545 2.3545 2.5648 2.5648 2.7158 2.7158 3.3874 3.3874 3.7955 3.7955 4.0822 4.0822 4.6106 4.6106 4.9734 4.9734 5.8151 5.8151 8.2404 8.2404 8.3127 8.3127 8.3937 8.3937 10.1185 10.1185 k =-0.2733 0.3233 0.9015 ( 5150 PWs) bands (ev): -21.0724 -21.0724 -21.0633 -21.0633 -5.9744 -5.9744 -5.9012 -5.9012 -5.2921 -5.2921 -5.1208 -5.1208 -4.9672 -4.9672 -4.9114 -4.9114 -4.2873 -4.2873 -4.2157 -4.2157 0.8474 0.8474 2.3531 2.3531 2.5653 2.5653 2.7174 2.7174 3.3870 3.3870 3.7952 3.7952 4.0824 4.0824 4.6105 4.6105 4.9740 4.9740 5.8151 5.8151 8.2354 8.2354 8.3147 8.3147 8.3926 8.3926 10.1187 10.1187 k =-0.2615 0.3093 0.9106 ( 5145 PWs) bands (ev): -21.0724 -21.0724 -21.0633 -21.0633 -5.9741 -5.9741 -5.9013 -5.9013 -5.2916 -5.2916 -5.1212 -5.1212 -4.9673 -4.9673 -4.9111 -4.9111 -4.2900 -4.2900 -4.2138 -4.2138 0.8480 0.8480 2.3490 2.3490 2.5666 2.5666 2.7219 2.7219 3.3860 3.3860 3.7943 3.7943 4.0830 4.0830 4.6104 4.6104 4.9759 4.9759 5.8149 5.8149 8.2200 8.2200 8.3204 8.3204 8.3905 8.3905 10.1194 10.1194 k =-0.2497 0.2953 0.9196 ( 5149 PWs) bands (ev): -21.0724 -21.0724 -21.0633 -21.0633 -5.9735 -5.9735 -5.9016 -5.9016 -5.2906 -5.2906 -5.1219 -5.1219 -4.9675 -4.9675 -4.9106 -4.9106 -4.2943 -4.2943 -4.2109 -4.2109 0.8488 0.8488 2.3426 2.3426 2.5685 2.5685 2.7293 2.7293 3.3842 3.3842 3.7929 3.7929 4.0839 4.0839 4.6101 4.6101 4.9790 4.9790 5.8146 5.8146 8.1931 8.1931 8.3295 8.3295 8.3899 8.3899 10.1204 10.1204 k =-0.2378 0.2813 0.9287 ( 5159 PWs) bands (ev): -21.0725 -21.0725 -21.0633 -21.0633 -5.9728 -5.9728 -5.9021 -5.9021 -5.2893 -5.2893 -5.1229 -5.1229 -4.9677 -4.9677 -4.9098 -4.9098 -4.2996 -4.2996 -4.2073 -4.2073 0.8500 0.8500 2.3344 2.3344 2.5706 2.5706 2.7393 2.7393 3.3817 3.3817 3.7910 3.7910 4.0853 4.0853 4.6098 4.6098 4.9834 4.9834 5.8141 5.8141 8.1546 8.1546 8.3413 8.3413 8.3934 8.3934 10.1220 10.1220 k =-0.2260 0.2673 0.9378 ( 5151 PWs) bands (ev): -21.0725 -21.0725 -21.0633 -21.0633 -5.9718 -5.9718 -5.9026 -5.9026 -5.2876 -5.2876 -5.1241 -5.1241 -4.9681 -4.9681 -4.9089 -4.9089 -4.3059 -4.3059 -4.2034 -4.2034 0.8515 0.8515 2.3250 2.3250 2.5728 2.5728 2.7515 2.7515 3.3787 3.3787 3.7887 3.7887 4.0871 4.0871 4.6094 4.6094 4.9889 4.9889 5.8136 5.8136 8.1061 8.1061 8.3546 8.3546 8.4026 8.4026 10.1242 10.1242 k =-0.2142 0.2533 0.9468 ( 5149 PWs) bands (ev): -21.0725 -21.0725 -21.0632 -21.0632 -5.9706 -5.9706 -5.9032 -5.9032 -5.2855 -5.2855 -5.1256 -5.1256 -4.9684 -4.9684 -4.9078 -4.9078 -4.3127 -4.3127 -4.1994 -4.1994 0.8533 0.8533 2.3149 2.3149 2.5748 2.5748 2.7654 2.7654 3.3751 3.3751 3.7860 3.7860 4.0892 4.0892 4.6088 4.6088 4.9955 4.9955 5.8130 5.8130 8.0497 8.0497 8.3682 8.3682 8.4184 8.4184 10.1270 10.1270 k =-0.2024 0.2393 0.9559 ( 5151 PWs) bands (ev): -21.0725 -21.0725 -21.0632 -21.0632 -5.9692 -5.9692 -5.9040 -5.9040 -5.2830 -5.2830 -5.1274 -5.1274 -4.9688 -4.9688 -4.9066 -4.9066 -4.3200 -4.3200 -4.1954 -4.1954 0.8553 0.8553 2.3044 2.3044 2.5765 2.5765 2.7807 2.7807 3.3711 3.3711 3.7831 3.7831 4.0916 4.0916 4.6082 4.6082 5.0030 5.0030 5.8124 5.8124 7.9880 7.9880 8.3813 8.3813 8.4408 8.4408 10.1305 10.1305 k =-0.1905 0.2254 0.9650 ( 5149 PWs) bands (ev): -21.0726 -21.0726 -21.0632 -21.0632 -5.9677 -5.9677 -5.9049 -5.9049 -5.2802 -5.2802 -5.1293 -5.1293 -4.9693 -4.9693 -4.9052 -4.9052 -4.3276 -4.3276 -4.1915 -4.1915 0.8574 0.8574 2.2939 2.2939 2.5780 2.5780 2.7968 2.7968 3.3667 3.3667 3.7799 3.7799 4.0943 4.0943 4.6074 4.6074 5.0114 5.0114 5.8119 5.8119 7.9232 7.9232 8.3942 8.3942 8.4689 8.4689 10.1347 10.1347 k =-0.1787 0.2114 0.9740 ( 5149 PWs) bands (ev): -21.0726 -21.0726 -21.0631 -21.0631 -5.9660 -5.9660 -5.9058 -5.9058 -5.2769 -5.2769 -5.1315 -5.1315 -4.9697 -4.9697 -4.9038 -4.9038 -4.3354 -4.3354 -4.1880 -4.1880 0.8597 0.8597 2.2837 2.2837 2.5793 2.5793 2.8131 2.8131 3.3621 3.3621 3.7767 3.7767 4.0973 4.0973 4.6066 4.6066 5.0206 5.0206 5.8114 5.8114 7.8571 7.8571 8.4073 8.4073 8.5015 8.5015 10.1398 10.1398 k =-0.1787 0.2114 0.9740 ( 5149 PWs) bands (ev): -21.0726 -21.0726 -21.0631 -21.0631 -5.9660 -5.9660 -5.9058 -5.9058 -5.2769 -5.2769 -5.1315 -5.1315 -4.9697 -4.9697 -4.9038 -4.9038 -4.3354 -4.3354 -4.1880 -4.1880 0.8597 0.8597 2.2837 2.2837 2.5793 2.5793 2.8131 2.8131 3.3621 3.3621 3.7767 3.7767 4.0973 4.0973 4.6066 4.6066 5.0206 5.0206 5.8114 5.8114 7.8571 7.8571 8.4073 8.4073 8.5015 8.5015 10.1398 10.1398 k =-0.1649 0.1951 0.9740 ( 5141 PWs) bands (ev): -21.0725 -21.0725 -21.0628 -21.0628 -5.9641 -5.9641 -5.9078 -5.9078 -5.2701 -5.2701 -5.1341 -5.1341 -4.9700 -4.9700 -4.9009 -4.9009 -4.3415 -4.3415 -4.1875 -4.1875 0.8427 0.8427 2.2969 2.2969 2.5840 2.5840 2.8480 2.8480 3.3301 3.3301 3.7738 3.7738 4.0782 4.0782 4.6145 4.6145 5.0143 5.0143 5.8299 5.8299 7.8116 7.8116 8.4006 8.4006 8.5270 8.5270 10.1551 10.1551 k =-0.1512 0.1788 0.9740 ( 5142 PWs) bands (ev): -21.0724 -21.0724 -21.0626 -21.0626 -5.9622 -5.9622 -5.9099 -5.9099 -5.2632 -5.2632 -5.1370 -5.1370 -4.9703 -4.9703 -4.8979 -4.8979 -4.3476 -4.3476 -4.1870 -4.1870 0.8273 0.8273 2.3103 2.3103 2.5871 2.5871 2.8808 2.8808 3.3014 3.3014 3.7713 3.7713 4.0591 4.0591 4.6222 4.6222 5.0094 5.0094 5.8465 5.8465 7.7661 7.7661 8.3958 8.3958 8.5579 8.5579 10.1700 10.1700 k =-0.1375 0.1626 0.9740 ( 5135 PWs) bands (ev): -21.0723 -21.0723 -21.0623 -21.0623 -5.9602 -5.9602 -5.9120 -5.9120 -5.2561 -5.2561 -5.1402 -5.1402 -4.9706 -4.9706 -4.8950 -4.8950 -4.3536 -4.3536 -4.1866 -4.1866 0.8133 0.8133 2.3239 2.3239 2.5892 2.5892 2.9088 2.9088 3.2785 3.2785 3.7689 3.7689 4.0402 4.0402 4.6294 4.6294 5.0058 5.0058 5.8612 5.8612 7.7216 7.7216 8.3932 8.3932 8.5934 8.5934 10.1838 10.1838 k =-0.1237 0.1463 0.9740 ( 5135 PWs) bands (ev): -21.0723 -21.0723 -21.0621 -21.0621 -5.9583 -5.9583 -5.9141 -5.9141 -5.2490 -5.2490 -5.1436 -5.1436 -4.9710 -4.9710 -4.8921 -4.8921 -4.3594 -4.3594 -4.1862 -4.1862 0.8009 0.8009 2.3375 2.3375 2.5908 2.5908 2.9289 2.9289 3.2639 3.2639 3.7662 3.7662 4.0214 4.0214 4.6361 4.6361 5.0033 5.0033 5.8740 5.8740 7.6788 7.6788 8.3925 8.3925 8.6330 8.6330 10.1961 10.1961 k =-0.1100 0.1301 0.9740 ( 5135 PWs) bands (ev): -21.0722 -21.0722 -21.0619 -21.0619 -5.9563 -5.9563 -5.9162 -5.9162 -5.2418 -5.2418 -5.1474 -5.1474 -4.9713 -4.9713 -4.8893 -4.8893 -4.3649 -4.3649 -4.1859 -4.1859 0.7900 0.7900 2.3513 2.3513 2.5921 2.5921 2.9389 2.9389 3.2599 3.2599 3.7631 3.7631 4.0030 4.0030 4.6423 4.6423 5.0019 5.0019 5.8849 5.8849 7.6387 7.6387 8.3935 8.3935 8.6759 8.6759 10.2059 10.2059 k =-0.0962 0.1138 0.9740 ( 5140 PWs) bands (ev): -21.0721 -21.0721 -21.0617 -21.0617 -5.9544 -5.9544 -5.9183 -5.9183 -5.2347 -5.2347 -5.1514 -5.1514 -4.9716 -4.9716 -4.8867 -4.8867 -4.3699 -4.3699 -4.1857 -4.1857 0.7804 0.7804 2.3648 2.3648 2.5934 2.5934 2.9384 2.9384 3.2668 3.2668 3.7594 3.7594 3.9853 3.9853 4.6477 4.6477 5.0012 5.0012 5.8941 5.8941 7.6018 7.6018 8.3959 8.3959 8.7214 8.7214 10.2116 10.2116 k =-0.0825 0.0976 0.9740 ( 5140 PWs) bands (ev): -21.0721 -21.0721 -21.0615 -21.0615 -5.9525 -5.9525 -5.9204 -5.9204 -5.2276 -5.2276 -5.1557 -5.1557 -4.9719 -4.9719 -4.8844 -4.8844 -4.3744 -4.3744 -4.1856 -4.1856 0.7723 0.7723 2.3779 2.3779 2.5947 2.5947 2.9293 2.9293 3.2823 3.2823 3.7549 3.7549 3.9686 3.9686 4.6525 4.6525 5.0013 5.0013 5.9016 5.9016 7.5687 7.5687 8.3992 8.3992 8.7682 8.7682 10.2100 10.2100 k =-0.0687 0.0813 0.9740 ( 5152 PWs) bands (ev): -21.0721 -21.0721 -21.0614 -21.0614 -5.9507 -5.9507 -5.9223 -5.9223 -5.2206 -5.2206 -5.1602 -5.1602 -4.9721 -4.9721 -4.8823 -4.8823 -4.3784 -4.3784 -4.1855 -4.1855 0.7654 0.7654 2.3903 2.3903 2.5962 2.5962 2.9151 2.9151 3.3029 3.3029 3.7496 3.7496 3.9535 3.9535 4.6565 4.6565 5.0018 5.0018 5.9076 5.9076 7.5399 7.5399 8.4030 8.4030 8.8148 8.8148 10.1955 10.1955 k =-0.0550 0.0650 0.9740 ( 5148 PWs) bands (ev): -21.0720 -21.0720 -21.0613 -21.0613 -5.9490 -5.9490 -5.9241 -5.9241 -5.2137 -5.2137 -5.1650 -5.1650 -4.9723 -4.9723 -4.8805 -4.8805 -4.3817 -4.3817 -4.1855 -4.1855 0.7599 0.7599 2.4014 2.4014 2.5978 2.5978 2.8990 2.8990 3.3251 3.3251 3.7437 3.7437 3.9404 3.9404 4.6598 4.6598 5.0026 5.0026 5.9123 5.9123 7.5159 7.5159 8.4069 8.4069 8.8592 8.8592 10.1640 10.1640 k =-0.0412 0.0488 0.9740 ( 5150 PWs) bands (ev): -21.0720 -21.0720 -21.0612 -21.0612 -5.9474 -5.9474 -5.9258 -5.9258 -5.2070 -5.2070 -5.1701 -5.1701 -4.9725 -4.9725 -4.8791 -4.8791 -4.3843 -4.3843 -4.1856 -4.1856 0.7557 0.7557 2.4109 2.4109 2.5995 2.5995 2.8837 2.8837 3.3460 3.3460 3.7375 3.7375 3.9298 3.9298 4.6624 4.6624 5.0034 5.0034 5.9157 5.9157 7.4969 7.4969 8.4104 8.4104 8.8989 8.8989 10.1220 10.1221 k =-0.0275 0.0325 0.9740 ( 5152 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9462 -5.9462 -5.9271 -5.9271 -5.2006 -5.2006 -5.1753 -5.1753 -4.9726 -4.9726 -4.8781 -4.8781 -4.3862 -4.3862 -4.1856 -4.1856 0.7527 0.7527 2.4181 2.4181 2.6010 2.6010 2.8711 2.8711 3.3631 3.3631 3.7320 3.7320 3.9220 3.9220 4.6642 4.6642 5.0041 5.0041 5.9180 5.9180 7.4831 7.4831 8.4132 8.4132 8.9308 8.9308 10.0825 10.0825 k =-0.0137 0.0163 0.9740 ( 5145 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9453 -5.9453 -5.9280 -5.9280 -5.1947 -5.1947 -5.1804 -5.1804 -4.9727 -4.9727 -4.8775 -4.8775 -4.3874 -4.3874 -4.1856 -4.1856 0.7509 0.7509 2.4226 2.4226 2.6021 2.6021 2.8630 2.8630 3.3742 3.3742 3.7281 3.7281 3.9173 3.9173 4.6652 4.6652 5.0046 5.0046 5.9194 5.9194 7.4748 7.4748 8.4150 8.4150 8.9516 8.9516 10.0551 10.0551 k = 0.0000 0.0000 0.9740 ( 5142 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9450 -5.9450 -5.9283 -5.9283 -5.1913 -5.1913 -5.1836 -5.1836 -4.9727 -4.9727 -4.8773 -4.8773 -4.3877 -4.3877 -4.1856 -4.1856 0.7503 0.7503 2.4242 2.4242 2.6025 2.6025 2.8601 2.8601 3.3781 3.3781 3.7267 3.7267 3.9157 3.9157 4.6656 4.6656 5.0048 5.0048 5.9199 5.9199 7.4720 7.4720 8.4156 8.4156 8.9589 8.9589 10.0453 10.0453 k = 0.0000 0.0000 0.9740 ( 5142 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9450 -5.9450 -5.9283 -5.9283 -5.1913 -5.1913 -5.1836 -5.1836 -4.9727 -4.9727 -4.8773 -4.8773 -4.3877 -4.3877 -4.1856 -4.1856 0.7503 0.7503 2.4242 2.4242 2.6025 2.6025 2.8601 2.8601 3.3781 3.3781 3.7267 3.7267 3.9157 3.9157 4.6656 4.6656 5.0048 5.0048 5.9199 5.9199 7.4720 7.4720 8.4156 8.4156 8.9589 8.9589 10.0453 10.0453 k = 0.0167 0.0141 0.9740 ( 5150 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9451 -5.9451 -5.9281 -5.9281 -5.1927 -5.1927 -5.1820 -5.1820 -4.9728 -4.9728 -4.8780 -4.8780 -4.3873 -4.3873 -4.1855 -4.1855 0.7503 0.7503 2.4241 2.4241 2.6016 2.6016 2.8610 2.8610 3.3782 3.3782 3.7267 3.7267 3.9158 3.9158 4.6656 4.6656 5.0047 5.0047 5.9200 5.9200 7.4715 7.4715 8.4162 8.4162 8.9588 8.9588 10.0261 10.0261 k = 0.0333 0.0282 0.9740 ( 5158 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9455 -5.9455 -5.9275 -5.9275 -5.1954 -5.1954 -5.1786 -5.1786 -4.9729 -4.9729 -4.8801 -4.8801 -4.3861 -4.3861 -4.1853 -4.1853 0.7503 0.7503 2.4239 2.4239 2.5990 2.5990 2.8635 2.8635 3.3784 3.3784 3.7267 3.7267 3.9160 3.9160 4.6657 4.6657 5.0046 5.0046 5.9205 5.9205 7.4699 7.4699 8.4181 8.4181 8.9586 8.9586 9.9810 9.9810 k = 0.0500 0.0423 0.9740 ( 5156 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9461 -5.9461 -5.9267 -5.9267 -5.1982 -5.1982 -5.1745 -5.1745 -4.9730 -4.9730 -4.8835 -4.8835 -4.3842 -4.3842 -4.1850 -4.1850 0.7502 0.7502 2.4236 2.4236 2.5949 2.5949 2.8674 2.8674 3.3786 3.3786 3.7267 3.7267 3.9163 3.9163 4.6659 4.6659 5.0045 5.0045 5.9213 5.9213 7.4673 7.4673 8.4211 8.4211 8.9583 8.9583 9.9264 9.9264 k = 0.0667 0.0564 0.9740 ( 5144 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9467 -5.9467 -5.9256 -5.9256 -5.2009 -5.2009 -5.1702 -5.1702 -4.9733 -4.9733 -4.8881 -4.8881 -4.3817 -4.3817 -4.1845 -4.1845 0.7502 0.7502 2.4232 2.4232 2.5895 2.5895 2.8725 2.8725 3.3790 3.3790 3.7266 3.7266 3.9167 3.9167 4.6661 4.6661 5.0042 5.0042 5.9223 5.9223 7.4639 7.4639 8.4251 8.4251 8.9579 8.9579 9.8702 9.8702 k = 0.0833 0.0705 0.9740 ( 5146 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9474 -5.9474 -5.9243 -5.9243 -5.2034 -5.2034 -5.1656 -5.1656 -4.9735 -4.9735 -4.8937 -4.8937 -4.3787 -4.3787 -4.1840 -4.1840 0.7502 0.7502 2.4227 2.4227 2.5834 2.5834 2.8784 2.8784 3.3794 3.3794 3.7266 3.7266 3.9172 3.9172 4.6663 4.6663 5.0040 5.0040 5.9236 5.9236 7.4599 7.4599 8.4299 8.4299 8.9573 8.9573 9.8157 9.8157 k = 0.1000 0.0845 0.9740 ( 5148 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9482 -5.9482 -5.9230 -5.9230 -5.2057 -5.2057 -5.1610 -5.1610 -4.9738 -4.9738 -4.9001 -4.9001 -4.3754 -4.3754 -4.1833 -4.1833 0.7501 0.7501 2.4220 2.4220 2.5768 2.5768 2.8847 2.8847 3.3799 3.3799 3.7266 3.7266 3.9178 3.9178 4.6665 4.6665 5.0036 5.0036 5.9250 5.9250 7.4553 7.4553 8.4353 8.4353 8.9567 8.9567 9.7645 9.7645 k = 0.1167 0.0986 0.9740 ( 5130 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9488 -5.9488 -5.9216 -5.9216 -5.2077 -5.2077 -5.1563 -5.1563 -4.9741 -4.9741 -4.9069 -4.9069 -4.3719 -4.3719 -4.1827 -4.1827 0.7501 0.7501 2.4213 2.4213 2.5702 2.5702 2.8912 2.8912 3.3804 3.3804 3.7266 3.7266 3.9184 3.9184 4.6668 4.6668 5.0033 5.0033 5.9266 5.9266 7.4505 7.4505 8.4410 8.4410 8.9561 8.9561 9.7174 9.7174 k = 0.1333 0.1127 0.9740 ( 5134 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9495 -5.9495 -5.9203 -5.9203 -5.2095 -5.2095 -5.1516 -5.1516 -4.9744 -4.9744 -4.9140 -4.9140 -4.3684 -4.3684 -4.1819 -4.1819 0.7500 0.7500 2.4205 2.4205 2.5637 2.5637 2.8975 2.8975 3.3810 3.3810 3.7266 3.7266 3.9190 3.9190 4.6671 4.6671 5.0030 5.0030 5.9282 5.9282 7.4457 7.4457 8.4468 8.4468 8.9554 8.9554 9.6750 9.6750 k = 0.1500 0.1268 0.9740 ( 5130 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9501 -5.9501 -5.9191 -5.9191 -5.2110 -5.2110 -5.1471 -5.1471 -4.9747 -4.9747 -4.9211 -4.9211 -4.3651 -4.3651 -4.1812 -4.1812 0.7500 0.7500 2.4197 2.4197 2.5577 2.5577 2.9034 2.9034 3.3815 3.3815 3.7266 3.7266 3.9197 3.9197 4.6674 4.6674 5.0026 5.0026 5.9297 5.9297 7.4410 7.4410 8.4525 8.4525 8.9547 8.9547 9.6376 9.6376 k = 0.1667 0.1409 0.9740 ( 5130 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9505 -5.9505 -5.9180 -5.9180 -5.2123 -5.2123 -5.1428 -5.1428 -4.9749 -4.9749 -4.9279 -4.9279 -4.3621 -4.3621 -4.1806 -4.1806 0.7499 0.7499 2.4188 2.4188 2.5523 2.5523 2.9087 2.9087 3.3820 3.3820 3.7266 3.7266 3.9202 3.9202 4.6676 4.6676 5.0023 5.0023 5.9312 5.9312 7.4366 7.4366 8.4577 8.4577 8.9540 8.9540 9.6056 9.6056 k = 0.1833 0.1550 0.9740 ( 5126 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9510 -5.9510 -5.9170 -5.9170 -5.2134 -5.2134 -5.1390 -5.1390 -4.9750 -4.9750 -4.9340 -4.9340 -4.3594 -4.3594 -4.1800 -4.1800 0.7499 0.7499 2.4181 2.4181 2.5477 2.5477 2.9132 2.9132 3.3825 3.3825 3.7266 3.7266 3.9207 3.9207 4.6679 4.6679 5.0020 5.0020 5.9325 5.9325 7.4328 7.4328 8.4623 8.4623 8.9534 8.9534 9.5791 9.5791 k = 0.2000 0.1691 0.9740 ( 5118 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9513 -5.9513 -5.9163 -5.9163 -5.2142 -5.2142 -5.1358 -5.1358 -4.9750 -4.9750 -4.9393 -4.9393 -4.3573 -4.3573 -4.1795 -4.1795 0.7498 0.7498 2.4174 2.4174 2.5441 2.5441 2.9168 2.9168 3.3828 3.3828 3.7266 3.7266 3.9212 3.9212 4.6681 4.6681 5.0018 5.0018 5.9336 5.9336 7.4297 7.4297 8.4661 8.4661 8.9529 8.9529 9.5584 9.5584 k = 0.2167 0.1832 0.9740 ( 5126 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9515 -5.9515 -5.9157 -5.9157 -5.2147 -5.2147 -5.1334 -5.1334 -4.9749 -4.9749 -4.9433 -4.9433 -4.3557 -4.3557 -4.1791 -4.1791 0.7498 0.7498 2.4169 2.4169 2.5415 2.5415 2.9195 2.9195 3.3831 3.3831 3.7266 3.7266 3.9215 3.9215 4.6682 4.6682 5.0016 5.0016 5.9344 5.9344 7.4274 7.4274 8.4689 8.4689 8.9526 8.9526 9.5435 9.5435 k = 0.2333 0.1973 0.9740 ( 5126 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9516 -5.9516 -5.9154 -5.9154 -5.2151 -5.2151 -5.1318 -5.1318 -4.9749 -4.9749 -4.9459 -4.9459 -4.3547 -4.3547 -4.1789 -4.1789 0.7498 0.7498 2.4165 2.4165 2.5399 2.5399 2.9211 2.9211 3.3833 3.3833 3.7266 3.7266 3.9217 3.9217 4.6683 4.6683 5.0015 5.0015 5.9349 5.9349 7.4259 7.4259 8.4707 8.4707 8.9523 8.9523 9.5345 9.5345 k = 0.2500 0.2114 0.9740 ( 5128 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9517 -5.9517 -5.9152 -5.9152 -5.2152 -5.2152 -5.1313 -5.1313 -4.9748 -4.9748 -4.9468 -4.9468 -4.3544 -4.3544 -4.1788 -4.1788 0.7498 0.7498 2.4164 2.4164 2.5394 2.5394 2.9217 2.9217 3.3833 3.3833 3.7266 3.7266 3.9217 3.9217 4.6683 4.6683 5.0015 5.0015 5.9351 5.9351 7.4255 7.4255 8.4713 8.4713 8.9522 8.9522 9.5315 9.5315 k = 0.2500 0.2114 0.9740 ( 5128 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9517 -5.9517 -5.9152 -5.9152 -5.2152 -5.2152 -5.1313 -5.1313 -4.9748 -4.9748 -4.9468 -4.9468 -4.3544 -4.3544 -4.1788 -4.1788 0.7498 0.7498 2.4164 2.4164 2.5394 2.5394 2.9217 2.9217 3.3833 3.3833 3.7266 3.7266 3.9217 3.9217 4.6683 4.6683 5.0015 5.0015 5.9351 5.9351 7.4255 7.4255 8.4713 8.4713 8.9522 8.9522 9.5315 9.5315 k = 0.2375 0.2261 0.9645 ( 5126 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9517 -5.9517 -5.9153 -5.9153 -5.2153 -5.2153 -5.1312 -5.1312 -4.9749 -4.9749 -4.9467 -4.9467 -4.3541 -4.3541 -4.1791 -4.1791 0.7495 0.7495 2.4170 2.4170 2.5400 2.5400 2.9218 2.9218 3.3810 3.3810 3.7272 3.7272 3.9219 3.9219 4.6683 4.6683 5.0005 5.0005 5.9358 5.9358 7.4296 7.4296 8.4685 8.4685 8.9462 8.9462 9.5364 9.5364 k = 0.2250 0.2409 0.9549 ( 5128 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9517 -5.9517 -5.9153 -5.9153 -5.2156 -5.2156 -5.1311 -5.1311 -4.9749 -4.9749 -4.9463 -4.9463 -4.3534 -4.3534 -4.1799 -4.1799 0.7487 0.7487 2.4187 2.4187 2.5421 2.5421 2.9221 2.9221 3.3741 3.3741 3.7291 3.7291 3.9224 3.9224 4.6684 4.6684 4.9977 4.9977 5.9380 5.9380 7.4421 7.4421 8.4606 8.4606 8.9286 8.9286 9.5509 9.5509 k = 0.2125 0.2557 0.9453 ( 5130 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9518 -5.9518 -5.9153 -5.9153 -5.2160 -5.2160 -5.1308 -5.1308 -4.9750 -4.9750 -4.9457 -4.9457 -4.3521 -4.3521 -4.1813 -4.1813 0.7473 0.7473 2.4215 2.4215 2.5454 2.5454 2.9227 2.9227 3.3629 3.3629 3.7319 3.7319 3.9231 3.9231 4.6685 4.6685 4.9931 4.9931 5.9417 5.9417 7.4626 7.4626 8.4482 8.4482 8.9010 8.9010 9.5746 9.5746 k = 0.2000 0.2705 0.9357 ( 5130 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9519 -5.9519 -5.9154 -5.9154 -5.2166 -5.2166 -5.1305 -5.1305 -4.9751 -4.9751 -4.9449 -4.9449 -4.3504 -4.3504 -4.1832 -4.1832 0.7455 0.7455 2.4254 2.4254 2.5500 2.5500 2.9234 2.9234 3.3480 3.3480 3.7355 3.7355 3.9241 3.9241 4.6685 4.6685 4.9868 4.9868 5.9465 5.9465 7.4909 7.4909 8.4320 8.4320 8.8652 8.8652 9.6069 9.6069 k = 0.1875 0.2853 0.9261 ( 5124 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9520 -5.9520 -5.9154 -5.9154 -5.2173 -5.2173 -5.1301 -5.1301 -4.9752 -4.9752 -4.9440 -4.9440 -4.3481 -4.3481 -4.1857 -4.1857 0.7432 0.7432 2.4304 2.4304 2.5558 2.5558 2.9242 2.9242 3.3298 3.3298 3.7396 3.7396 3.9253 3.9253 4.6687 4.6687 4.9791 4.9791 5.9525 5.9525 7.5262 7.5262 8.4134 8.4134 8.8234 8.8234 9.6468 9.6468 k = 0.1750 0.3001 0.9165 ( 5126 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9522 -5.9522 -5.9155 -5.9155 -5.2181 -5.2181 -5.1298 -5.1298 -4.9752 -4.9752 -4.9430 -4.9430 -4.3454 -4.3454 -4.1887 -4.1887 0.7405 0.7405 2.4363 2.4363 2.5626 2.5626 2.9249 2.9249 3.3092 3.3092 3.7438 3.7438 3.9267 3.9267 4.6688 4.6688 4.9703 4.9703 5.9593 5.9593 7.5681 7.5681 8.3933 8.3933 8.7777 8.7777 9.6933 9.6933 k = 0.1625 0.3149 0.9070 ( 5132 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9523 -5.9523 -5.9156 -5.9156 -5.2190 -5.2190 -5.1294 -5.1294 -4.9751 -4.9751 -4.9419 -4.9419 -4.3422 -4.3422 -4.1921 -4.1921 0.7375 0.7375 2.4432 2.4432 2.5704 2.5704 2.9255 2.9255 3.2866 3.2866 3.7481 3.7481 3.9282 3.9282 4.6689 4.6689 4.9606 4.9606 5.9667 5.9667 7.6154 7.6154 8.3729 8.3729 8.7299 8.7299 9.7451 9.7451 k = 0.1500 0.3296 0.8974 ( 5138 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9525 -5.9525 -5.9157 -5.9157 -5.2198 -5.2198 -5.1291 -5.1291 -4.9749 -4.9749 -4.9408 -4.9408 -4.3386 -4.3386 -4.1961 -4.1961 0.7343 0.7343 2.4509 2.4509 2.5791 2.5791 2.9257 2.9257 3.2628 3.2628 3.7523 3.7523 3.9297 3.9297 4.6691 4.6691 4.9502 4.9502 5.9745 5.9745 7.6672 7.6672 8.3534 8.3534 8.6814 8.6814 9.8014 9.8014 k = 0.1375 0.3444 0.8878 ( 5130 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9526 -5.9526 -5.9158 -5.9158 -5.2207 -5.2207 -5.1288 -5.1288 -4.9746 -4.9746 -4.9397 -4.9397 -4.3346 -4.3346 -4.2005 -4.2005 0.7309 0.7309 2.4593 2.4593 2.5885 2.5885 2.9253 2.9253 3.2384 3.2384 3.7562 3.7562 3.9313 3.9313 4.6693 4.6693 4.9396 4.9396 5.9825 5.9825 7.7221 7.7221 8.3359 8.3359 8.6336 8.6336 9.8609 9.8609 k = 0.1250 0.3592 0.8782 ( 5134 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9528 -5.9528 -5.9159 -5.9159 -5.2216 -5.2216 -5.1286 -5.1286 -4.9742 -4.9742 -4.9387 -4.9387 -4.3301 -4.3301 -4.2053 -4.2053 0.7275 0.7275 2.4683 2.4683 2.5987 2.5987 2.9240 2.9240 3.2142 3.2142 3.7598 3.7598 3.9328 3.9328 4.6695 4.6695 4.9288 4.9288 5.9905 5.9905 7.7781 7.7781 8.3217 8.3217 8.5874 8.5874 9.9229 9.9229 k = 0.1125 0.3740 0.8686 ( 5134 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9530 -5.9530 -5.9160 -5.9160 -5.2224 -5.2224 -5.1285 -5.1285 -4.9738 -4.9738 -4.9377 -4.9377 -4.3252 -4.3252 -4.2105 -4.2105 0.7241 0.7241 2.4775 2.4775 2.6094 2.6094 2.9215 2.9215 3.1908 3.1908 3.7631 3.7631 3.9342 3.9342 4.6696 4.6696 4.9183 4.9183 5.9983 5.9983 7.8331 7.8331 8.3123 8.3123 8.5437 8.5437 9.9862 9.9862 k = 0.1000 0.3888 0.8590 ( 5136 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9532 -5.9532 -5.9161 -5.9161 -5.2231 -5.2231 -5.1284 -5.1284 -4.9732 -4.9732 -4.9368 -4.9368 -4.3200 -4.3200 -4.2161 -4.2161 0.7209 0.7209 2.4869 2.4869 2.6207 2.6207 2.9174 2.9174 3.1690 3.1690 3.7660 3.7660 3.9356 3.9356 4.6698 4.6698 4.9082 4.9082 6.0056 6.0056 7.8842 7.8842 8.3091 8.3091 8.5035 8.5035 10.0501 10.0501 k = 0.0875 0.4036 0.8495 ( 5134 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9534 -5.9534 -5.9161 -5.9161 -5.2238 -5.2238 -5.1284 -5.1284 -4.9727 -4.9727 -4.9359 -4.9359 -4.3144 -4.3144 -4.2220 -4.2220 0.7178 0.7178 2.4961 2.4961 2.6326 2.6326 2.9113 2.9113 3.1494 3.1494 3.7685 3.7685 3.9368 3.9368 4.6700 4.6700 4.8988 4.8988 6.0124 6.0124 7.9286 7.9286 8.3135 8.3135 8.4676 8.4676 10.1137 10.1137 k = 0.0750 0.4184 0.8399 ( 5126 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9535 -5.9535 -5.9162 -5.9162 -5.2244 -5.2244 -5.1284 -5.1284 -4.9721 -4.9721 -4.9352 -4.9352 -4.3085 -4.3085 -4.2282 -4.2282 0.7149 0.7149 2.5049 2.5049 2.6449 2.6449 2.9031 2.9031 3.1326 3.1326 3.7707 3.7707 3.9379 3.9379 4.6702 4.6702 4.8903 4.8903 6.0185 6.0185 7.9638 7.9638 8.3253 8.3253 8.4375 8.4375 10.1761 10.1761 k = 0.0625 0.4331 0.8303 ( 5132 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9537 -5.9537 -5.9163 -5.9163 -5.2249 -5.2249 -5.1285 -5.1285 -4.9716 -4.9716 -4.9346 -4.9346 -4.3024 -4.3024 -4.2346 -4.2346 0.7124 0.7124 2.5129 2.5129 2.6575 2.6575 2.8930 2.8930 3.1189 3.1189 3.7725 3.7725 3.9389 3.9389 4.6703 4.6703 4.8827 4.8827 6.0238 6.0238 7.9889 7.9889 8.3401 8.3401 8.4170 8.4170 10.2363 10.2363 k = 0.0500 0.4479 0.8207 ( 5132 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9538 -5.9538 -5.9163 -5.9163 -5.2253 -5.2253 -5.1286 -5.1286 -4.9711 -4.9711 -4.9341 -4.9341 -4.2960 -4.2960 -4.2412 -4.2412 0.7103 0.7103 2.5198 2.5198 2.6701 2.6701 2.8814 2.8814 3.1083 3.1083 3.7739 3.7739 3.9397 3.9397 4.6704 4.6704 4.8764 4.8764 6.0283 6.0283 8.0052 8.0052 8.3461 8.3461 8.4147 8.4147 10.2934 10.2934 k = 0.0375 0.4627 0.8111 ( 5136 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9539 -5.9539 -5.9164 -5.9164 -5.2256 -5.2256 -5.1287 -5.1287 -4.9707 -4.9707 -4.9337 -4.9337 -4.2894 -4.2894 -4.2479 -4.2479 0.7085 0.7085 2.5255 2.5255 2.6820 2.6820 2.8695 2.8695 3.1007 3.1007 3.7750 3.7750 3.9403 3.9403 4.6705 4.6705 4.8713 4.8713 6.0318 6.0318 8.0148 8.0148 8.3393 8.3393 8.4305 8.4305 10.3457 10.3457 k = 0.0250 0.4775 0.8016 ( 5130 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9540 -5.9540 -5.9164 -5.9164 -5.2258 -5.2258 -5.1288 -5.1288 -4.9703 -4.9703 -4.9334 -4.9334 -4.2826 -4.2826 -4.2548 -4.2548 0.7073 0.7073 2.5297 2.5297 2.6923 2.6923 2.8587 2.8587 3.0956 3.0956 3.7758 3.7758 3.9407 3.9407 4.6706 4.6706 4.8676 4.8676 6.0343 6.0343 8.0201 8.0201 8.3300 8.3300 8.4498 8.4498 10.3904 10.3904 k = 0.0125 0.4923 0.7920 ( 5132 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9540 -5.9540 -5.9164 -5.9164 -5.2260 -5.2260 -5.1288 -5.1288 -4.9701 -4.9701 -4.9332 -4.9332 -4.2758 -4.2758 -4.2617 -4.2617 0.7065 0.7065 2.5323 2.5323 2.6995 2.6995 2.8510 2.8510 3.0927 3.0927 3.7763 3.7763 3.9410 3.9410 4.6707 4.6707 4.8654 4.8654 6.0359 6.0359 8.0226 8.0226 8.3233 8.3233 8.4639 8.4639 10.4224 10.4224 k = 0.0000 0.5071 0.7824 ( 5132 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9541 -5.9541 -5.9164 -5.9164 -5.2260 -5.2260 -5.1289 -5.1289 -4.9701 -4.9701 -4.9332 -4.9332 -4.2701 -4.2701 -4.2674 -4.2674 0.7063 0.7063 2.5332 2.5332 2.7022 2.7022 2.8481 2.8481 3.0918 3.0918 3.7765 3.7765 3.9411 3.9411 4.6707 4.6707 4.8646 4.8646 6.0364 6.0364 8.0234 8.0234 8.3210 8.3210 8.4689 8.4689 10.4344 10.4344 k = 0.0000 0.5071 0.7824 ( 5132 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9541 -5.9541 -5.9164 -5.9164 -5.2260 -5.2260 -5.1289 -5.1289 -4.9701 -4.9701 -4.9332 -4.9332 -4.2701 -4.2701 -4.2674 -4.2674 0.7063 0.7063 2.5332 2.5332 2.7022 2.7022 2.8481 2.8481 3.0918 3.0918 3.7765 3.7765 3.9411 3.9411 4.6707 4.6707 4.8646 4.8646 6.0364 6.0364 8.0234 8.0234 8.3210 8.3210 8.4689 8.4689 10.4344 10.4344 k = 0.0178 0.5177 0.7755 ( 5136 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9543 -5.9543 -5.9163 -5.9163 -5.2267 -5.2267 -5.1286 -5.1286 -4.9701 -4.9701 -4.9329 -4.9329 -4.2706 -4.2706 -4.2668 -4.2668 0.7069 0.7069 2.5325 2.5325 2.7005 2.7005 2.8480 2.8480 3.0935 3.0935 3.7766 3.7766 3.9417 3.9417 4.6705 4.6705 4.8650 4.8650 6.0351 6.0351 8.0255 8.0255 8.3203 8.3203 8.4681 8.4681 10.4316 10.4316 k = 0.0356 0.5283 0.7686 ( 5132 PWs) bands (ev): -21.0720 -21.0720 -21.0612 -21.0612 -5.9549 -5.9549 -5.9158 -5.9158 -5.2285 -5.2285 -5.1279 -5.1279 -4.9700 -4.9700 -4.9321 -4.9321 -4.2715 -4.2715 -4.2653 -4.2653 0.7086 0.7086 2.5304 2.5304 2.6956 2.6956 2.8475 2.8475 3.0986 3.0986 3.7771 3.7771 3.9435 3.9435 4.6698 4.6698 4.8663 4.8663 6.0314 6.0314 8.0318 8.0318 8.3183 8.3183 8.4656 8.4656 10.4233 10.4233 k = 0.0535 0.5389 0.7618 ( 5135 PWs) bands (ev): -21.0720 -21.0720 -21.0612 -21.0612 -5.9559 -5.9559 -5.9151 -5.9151 -5.2315 -5.2315 -5.1268 -5.1268 -4.9699 -4.9699 -4.9308 -4.9308 -4.2725 -4.2725 -4.2633 -4.2633 0.7116 0.7116 2.5270 2.5270 2.6881 2.6881 2.8462 2.8462 3.1070 3.1070 3.7778 3.7778 3.9466 3.9466 4.6686 4.6686 4.8685 4.8685 6.0252 6.0252 8.0421 8.0421 8.3151 8.3151 8.4615 8.4615 10.4099 10.4099 k = 0.0713 0.5495 0.7549 ( 5140 PWs) bands (ev): -21.0720 -21.0720 -21.0613 -21.0613 -5.9572 -5.9572 -5.9142 -5.9142 -5.2354 -5.2354 -5.1256 -5.1256 -4.9697 -4.9697 -4.9291 -4.9291 -4.2735 -4.2735 -4.2610 -4.2610 0.7157 0.7157 2.5220 2.5220 2.6788 2.6788 2.8436 2.8436 3.1185 3.1185 3.7788 3.7788 3.9510 3.9510 4.6670 4.6670 4.8715 4.8715 6.0167 6.0167 8.0561 8.0561 8.3110 8.3110 8.4559 8.4559 10.3921 10.3921 k = 0.0891 0.5601 0.7480 ( 5136 PWs) bands (ev): -21.0720 -21.0720 -21.0614 -21.0614 -5.9587 -5.9587 -5.9132 -5.9132 -5.2400 -5.2400 -5.1243 -5.1243 -4.9694 -4.9694 -4.9270 -4.9270 -4.2746 -4.2746 -4.2584 -4.2584 0.7209 0.7209 2.5154 2.5154 2.6685 2.6685 2.8393 2.8393 3.1330 3.1330 3.7800 3.7800 3.9565 3.9565 4.6650 4.6650 4.8753 4.8753 6.0061 6.0061 8.0734 8.0734 8.3062 8.3062 8.4490 8.4490 10.3706 10.3706 k = 0.1069 0.5707 0.7411 ( 5138 PWs) bands (ev): -21.0720 -21.0720 -21.0615 -21.0615 -5.9604 -5.9604 -5.9120 -5.9120 -5.2450 -5.2450 -5.1231 -5.1231 -4.9691 -4.9691 -4.9247 -4.9247 -4.2756 -4.2756 -4.2554 -4.2554 0.7273 0.7273 2.5072 2.5072 2.6578 2.6578 2.8332 2.8332 3.1500 3.1500 3.7814 3.7814 3.9631 3.9631 4.6625 4.6625 4.8800 4.8800 5.9936 5.9936 8.0935 8.0935 8.3012 8.3012 8.4408 8.4408 10.3464 10.3464 k = 0.1248 0.5813 0.7343 ( 5130 PWs) bands (ev): -21.0720 -21.0720 -21.0616 -21.0616 -5.9623 -5.9623 -5.9108 -5.9108 -5.2504 -5.2504 -5.1221 -5.1221 -4.9688 -4.9688 -4.9223 -4.9223 -4.2767 -4.2767 -4.2521 -4.2521 0.7348 0.7348 2.4973 2.4973 2.6472 2.6472 2.8253 2.8253 3.1692 3.1692 3.7828 3.7828 3.9709 3.9709 4.6594 4.6594 4.8856 4.8856 5.9794 5.9794 8.1157 8.1157 8.2964 8.2964 8.4315 8.4315 10.3204 10.3204 k = 0.1426 0.5920 0.7274 ( 5136 PWs) bands (ev): -21.0720 -21.0720 -21.0618 -21.0618 -5.9641 -5.9641 -5.9096 -5.9096 -5.2559 -5.2559 -5.1213 -5.1213 -4.9684 -4.9684 -4.9198 -4.9198 -4.2777 -4.2777 -4.2485 -4.2485 0.7434 0.7434 2.4858 2.4858 2.6371 2.6371 2.8158 2.8158 3.1903 3.1903 3.7842 3.7842 3.9797 3.9797 4.6559 4.6559 4.8920 4.8920 5.9638 5.9638 8.1392 8.1392 8.2921 8.2921 8.4215 8.4215 10.2933 10.2933 k = 0.1604 0.6026 0.7205 ( 5142 PWs) bands (ev): -21.0720 -21.0720 -21.0619 -21.0619 -5.9659 -5.9659 -5.9083 -5.9083 -5.2613 -5.2613 -5.1208 -5.1208 -4.9680 -4.9680 -4.9174 -4.9174 -4.2788 -4.2788 -4.2447 -4.2447 0.7530 0.7530 2.4727 2.4727 2.6275 2.6275 2.8049 2.8049 3.2128 3.2128 3.7857 3.7857 3.9895 3.9895 4.6519 4.6519 4.8993 4.8993 5.9470 5.9470 8.1632 8.1632 8.2889 8.2889 8.4110 8.4110 10.2659 10.2659 k = 0.1782 0.6132 0.7136 ( 5140 PWs) bands (ev): -21.0720 -21.0720 -21.0621 -21.0621 -5.9677 -5.9677 -5.9071 -5.9071 -5.2667 -5.2667 -5.1204 -5.1204 -4.9677 -4.9677 -4.9152 -4.9152 -4.2798 -4.2798 -4.2406 -4.2406 0.7637 0.7637 2.4583 2.4583 2.6184 2.6184 2.7928 2.7928 3.2364 3.2364 3.7871 3.7871 4.0003 4.0003 4.6474 4.6474 4.9074 4.9074 5.9292 5.9292 8.1866 8.1866 8.2871 8.2871 8.4006 8.4006 10.2390 10.2390 k = 0.1960 0.6238 0.7067 ( 5141 PWs) bands (ev): -21.0721 -21.0721 -21.0623 -21.0623 -5.9693 -5.9693 -5.9060 -5.9060 -5.2719 -5.2719 -5.1203 -5.1203 -4.9674 -4.9674 -4.9133 -4.9133 -4.2808 -4.2808 -4.2365 -4.2365 0.7753 0.7753 2.4427 2.4427 2.6099 2.6099 2.7798 2.7798 3.2609 3.2609 3.7885 3.7885 4.0119 4.0119 4.6424 4.6424 4.9163 4.9163 5.9107 5.9107 8.2081 8.2081 8.2870 8.2870 8.3909 8.3909 10.2132 10.2132 k = 0.2139 0.6344 0.6999 ( 5152 PWs) bands (ev): -21.0721 -21.0721 -21.0625 -21.0625 -5.9708 -5.9708 -5.9049 -5.9049 -5.2767 -5.2767 -5.1203 -5.1203 -4.9671 -4.9671 -4.9119 -4.9119 -4.2818 -4.2818 -4.2323 -4.2323 0.7880 0.7880 2.4261 2.4261 2.6015 2.6015 2.7664 2.7664 3.2859 3.2859 3.7899 3.7899 4.0245 4.0245 4.6370 4.6370 4.9261 4.9261 5.8918 5.8918 8.2260 8.2260 8.2889 8.2889 8.3832 8.3832 10.1891 10.1891 k = 0.2317 0.6450 0.6930 ( 5148 PWs) bands (ev): -21.0722 -21.0722 -21.0627 -21.0627 -5.9721 -5.9721 -5.9039 -5.9039 -5.2812 -5.2812 -5.1204 -5.1204 -4.9669 -4.9669 -4.9109 -4.9109 -4.2828 -4.2828 -4.2282 -4.2282 0.8015 0.8015 2.4089 2.4089 2.5931 2.5931 2.7529 2.7529 3.3113 3.3113 3.7912 3.7912 4.0378 4.0378 4.6310 4.6310 4.9367 4.9367 5.8725 5.8725 8.2390 8.2390 8.2926 8.2926 8.3789 8.3789 10.1672 10.1672 k = 0.2495 0.6556 0.6861 ( 5144 PWs) bands (ev): -21.0722 -21.0722 -21.0629 -21.0629 -5.9732 -5.9732 -5.9029 -5.9029 -5.2854 -5.2854 -5.1205 -5.1205 -4.9669 -4.9669 -4.9105 -4.9105 -4.2839 -4.2839 -4.2241 -4.2241 0.8159 0.8159 2.3911 2.3911 2.5844 2.5844 2.7397 2.7397 3.3369 3.3369 3.7925 3.7925 4.0518 4.0518 4.6246 4.6246 4.9481 4.9481 5.8532 5.8532 8.2458 8.2458 8.2975 8.2975 8.3796 8.3796 10.1479 10.1479 k = 0.2673 0.6662 0.6792 ( 5150 PWs) bands (ev): -21.0723 -21.0723 -21.0631 -21.0631 -5.9740 -5.9740 -5.9020 -5.9020 -5.2891 -5.2891 -5.1206 -5.1206 -4.9669 -4.9669 -4.9107 -4.9107 -4.2850 -4.2850 -4.2201 -4.2201 0.8312 0.8312 2.3729 2.3729 2.5751 2.5751 2.7272 2.7272 3.3623 3.3623 3.7939 3.7939 4.0666 4.0666 4.6178 4.6178 4.9603 4.9603 5.8341 5.8341 8.2460 8.2460 8.3039 8.3039 8.3850 8.3850 10.1315 10.1315 k = 0.2852 0.6768 0.6724 ( 5144 PWs) bands (ev): -21.0724 -21.0724 -21.0633 -21.0633 -5.9746 -5.9746 -5.9011 -5.9011 -5.2923 -5.2923 -5.1206 -5.1206 -4.9671 -4.9671 -4.9116 -4.9116 -4.2864 -4.2864 -4.2164 -4.2164 0.8473 0.8473 2.3545 2.3545 2.5648 2.5648 2.7158 2.7158 3.3874 3.3874 3.7955 3.7955 4.0822 4.0822 4.6106 4.6106 4.9734 4.9734 5.8151 5.8151 8.2404 8.2404 8.3127 8.3127 8.3937 8.3937 10.1185 10.1185 k = 0.2852 0.6768 0.6724 ( 5144 PWs) bands (ev): -21.0724 -21.0724 -21.0633 -21.0633 -5.9746 -5.9746 -5.9011 -5.9011 -5.2923 -5.2923 -5.1206 -5.1206 -4.9671 -4.9671 -4.9116 -4.9116 -4.2864 -4.2864 -4.2164 -4.2164 0.8473 0.8473 2.3545 2.3545 2.5648 2.5648 2.7158 2.7158 3.3874 3.3874 3.7955 3.7955 4.0822 4.0822 4.6106 4.6106 4.9734 4.9734 5.8151 5.8151 8.2404 8.2404 8.3127 8.3127 8.3937 8.3937 10.1185 10.1185 k = 0.2915 0.6694 0.6526 ( 5156 PWs) bands (ev): -21.0728 -21.0728 -21.0640 -21.0640 -5.9757 -5.9757 -5.8986 -5.8986 -5.3010 -5.3010 -5.1205 -5.1205 -4.9679 -4.9679 -4.9145 -4.9145 -4.2916 -4.2916 -4.2058 -4.2058 0.8984 0.8984 2.3004 2.3004 2.5282 2.5282 2.6903 2.6903 3.4566 3.4566 3.8024 3.8024 4.1302 4.1302 4.5893 4.5893 5.0135 5.0135 5.7597 5.7597 8.2058 8.2058 8.3450 8.3450 8.4333 8.4333 10.0882 10.0882 k = 0.2978 0.6619 0.6328 ( 5156 PWs) bands (ev): -21.0732 -21.0732 -21.0647 -21.0647 -5.9768 -5.9768 -5.8959 -5.8959 -5.3099 -5.3099 -5.1206 -5.1206 -4.9687 -4.9687 -4.9171 -4.9171 -4.2988 -4.2988 -4.1946 -4.1946 0.9566 0.9566 2.2456 2.2456 2.4812 2.4812 2.6753 2.6753 3.5161 3.5161 3.8178 3.8178 4.1825 4.1825 4.5688 4.5688 5.0561 5.0561 5.7017 5.7017 8.1572 8.1572 8.3828 8.3828 8.4886 8.4886 10.0615 10.0615 k = 0.3041 0.6544 0.6130 ( 5158 PWs) bands (ev): -21.0737 -21.0737 -21.0655 -21.0655 -5.9779 -5.9779 -5.8932 -5.8932 -5.3188 -5.3188 -5.1208 -5.1208 -4.9694 -4.9694 -4.9191 -4.9191 -4.3079 -4.3079 -4.1831 -4.1831 1.0216 1.0216 2.1909 2.1909 2.4270 2.4270 2.6683 2.6683 3.5583 3.5583 3.8487 3.8487 4.2380 4.2380 4.5494 4.5494 5.1003 5.1003 5.6421 5.6421 8.1013 8.1013 8.4262 8.4262 8.5529 8.5529 10.0383 10.0383 k = 0.3104 0.6469 0.5933 ( 5148 PWs) bands (ev): -21.0743 -21.0743 -21.0664 -21.0664 -5.9791 -5.9791 -5.8904 -5.8904 -5.3278 -5.3278 -5.1213 -5.1213 -4.9698 -4.9698 -4.9206 -4.9206 -4.3184 -4.3184 -4.1713 -4.1713 1.0927 1.0927 2.1367 2.1367 2.3692 2.3692 2.6667 2.6667 3.5793 3.5793 3.8980 3.8980 4.2962 4.2962 4.5315 4.5315 5.1453 5.1453 5.5817 5.5817 8.0410 8.0410 8.4754 8.4754 8.6234 8.6234 10.0182 10.0182 k = 0.3168 0.6395 0.5735 ( 5148 PWs) bands (ev): -21.0750 -21.0750 -21.0674 -21.0674 -5.9806 -5.9806 -5.8877 -5.8877 -5.3367 -5.3367 -5.1221 -5.1221 -4.9698 -4.9698 -4.9215 -4.9215 -4.3302 -4.3302 -4.1592 -4.1592 1.1695 1.1695 2.0832 2.0832 2.3105 2.3105 2.6686 2.6686 3.5826 3.5826 3.9610 3.9610 4.3570 4.3570 4.5156 4.5156 5.1901 5.1901 5.5218 5.5218 7.9781 7.9781 8.5303 8.5303 8.6990 8.6990 10.0010 10.0010 k = 0.3231 0.6320 0.5537 ( 5138 PWs) bands (ev): -21.0757 -21.0757 -21.0683 -21.0683 -5.9823 -5.9823 -5.8852 -5.8852 -5.3456 -5.3456 -5.1233 -5.1233 -4.9692 -4.9692 -4.9219 -4.9219 -4.3428 -4.3428 -4.1470 -4.1470 1.2511 1.2511 2.0303 2.0303 2.2531 2.2531 2.6730 2.6730 3.5744 3.5744 4.0299 4.0299 4.4207 4.4207 4.5022 4.5022 5.2331 5.2331 5.4645 5.4645 7.9138 7.9138 8.5908 8.5908 8.7786 8.7786 9.9864 9.9864 k = 0.3294 0.6245 0.5339 ( 5132 PWs) bands (ev): -21.0764 -21.0764 -21.0694 -21.0694 -5.9845 -5.9845 -5.8828 -5.8828 -5.3542 -5.3542 -5.1248 -5.1248 -4.9680 -4.9680 -4.9217 -4.9217 -4.3561 -4.3561 -4.1346 -4.1346 1.3365 1.3365 1.9780 1.9780 2.1985 2.1985 2.6792 2.6792 3.5594 3.5594 4.0977 4.0977 4.4877 4.4877 4.4925 4.4925 5.2686 5.2686 5.4157 5.4157 7.8491 7.8491 8.6570 8.6570 8.8618 8.8618 9.9740 9.9740 k = 0.3357 0.6170 0.5142 ( 5124 PWs) bands (ev): -21.0773 -21.0773 -21.0705 -21.0705 -5.9872 -5.9872 -5.8807 -5.8807 -5.3626 -5.3626 -5.1267 -5.1267 -4.9662 -4.9662 -4.9209 -4.9209 -4.3699 -4.3699 -4.1223 -4.1223 1.4245 1.4245 1.9263 1.9263 2.1485 2.1485 2.6870 2.6870 3.5403 3.5403 4.1583 4.1583 4.4876 4.4876 4.5594 4.5594 5.2768 5.2768 5.3954 5.3954 7.7852 7.7852 8.7286 8.7286 8.9479 8.9479 9.9637 9.9637 k = 0.3420 0.6096 0.4944 ( 5134 PWs) bands (ev): -21.0781 -21.0781 -21.0716 -21.0716 -5.9905 -5.9905 -5.8789 -5.8789 -5.3707 -5.3707 -5.1289 -5.1289 -4.9635 -4.9635 -4.9195 -4.9195 -4.3840 -4.3840 -4.1100 -4.1100 1.5123 1.5123 1.8756 1.8756 2.1050 2.1050 2.6960 2.6960 3.5186 3.5186 4.2065 4.2065 4.4908 4.4908 4.6357 4.6357 5.2444 5.2444 5.4174 5.4174 7.7230 7.7230 8.8055 8.8055 9.0366 9.0366 9.9551 9.9551 k = 0.3483 0.6021 0.4746 ( 5134 PWs) bands (ev): -21.0790 -21.0790 -21.0727 -21.0727 -5.9945 -5.9945 -5.8775 -5.8775 -5.3783 -5.3783 -5.1315 -5.1315 -4.9601 -4.9601 -4.9174 -4.9174 -4.3981 -4.3981 -4.0977 -4.0977 1.5944 1.5944 1.8282 1.8282 2.0715 2.0715 2.7060 2.7060 3.4956 3.4956 4.2381 4.2381 4.5041 4.5041 4.7164 4.7164 5.1967 5.1967 5.4567 5.4567 7.6635 7.6635 8.8874 8.8874 9.1274 9.1274 9.9481 9.9481 k = 0.3547 0.5946 0.4548 ( 5138 PWs) bands (ev): -21.0800 -21.0800 -21.0739 -21.0739 -5.9991 -5.9991 -5.8764 -5.8764 -5.3855 -5.3855 -5.1342 -5.1342 -4.9560 -4.9560 -4.9148 -4.9148 -4.4121 -4.4121 -4.0856 -4.0856 1.6554 1.6554 1.7931 1.7931 2.0540 2.0540 2.7170 2.7170 3.4718 3.4718 4.2527 4.2527 4.5273 4.5273 4.8003 4.8003 5.1475 5.1475 5.5004 5.5004 7.6079 7.6079 8.9740 8.9740 9.2200 9.2200 9.9424 9.9424 k = 0.3610 0.5872 0.4351 ( 5144 PWs) bands (ev): -21.0810 -21.0810 -21.0751 -21.0751 -6.0046 -6.0046 -5.8757 -5.8757 -5.3922 -5.3922 -5.1371 -5.1371 -4.9511 -4.9511 -4.9115 -4.9115 -4.4259 -4.4259 -4.0737 -4.0737 1.6627 1.6627 1.7909 1.7909 2.0642 2.0642 2.7287 2.7287 3.4479 3.4479 4.2535 4.2535 4.5571 4.5571 4.8842 4.8842 5.1019 5.1019 5.5452 5.5452 7.5574 7.5574 9.0649 9.0649 9.3140 9.3140 9.9378 9.9378 k = 0.3673 0.5797 0.4153 ( 5138 PWs) bands (ev): -21.0819 -21.0819 -21.0763 -21.0763 -6.0108 -6.0108 -5.8754 -5.8754 -5.3983 -5.3983 -5.1402 -5.1402 -4.9457 -4.9457 -4.9076 -4.9076 -4.4393 -4.4393 -4.0619 -4.0619 1.6272 1.6272 1.8007 1.8007 2.1117 2.1117 2.7411 2.7411 3.4245 3.4245 4.2448 4.2448 4.5898 4.5898 4.9568 4.9568 5.0711 5.0711 5.5899 5.5899 7.5132 7.5132 9.1596 9.1596 9.4089 9.4089 9.9343 9.9343 k = 0.3736 0.5722 0.3955 ( 5142 PWs) bands (ev): -21.0829 -21.0829 -21.0775 -21.0775 -6.0178 -6.0178 -5.8754 -5.8754 -5.4038 -5.4038 -5.1432 -5.1432 -4.9398 -4.9398 -4.9031 -4.9031 -4.4523 -4.4523 -4.0505 -4.0505 1.5803 1.5803 1.7970 1.7970 2.1897 2.1897 2.7540 2.7540 3.4018 3.4018 4.2297 4.2297 4.6224 4.6224 4.9731 4.9731 5.0990 5.0990 5.6341 5.6341 7.4767 7.4767 9.2574 9.2574 9.5041 9.5041 9.9316 9.9316 k = 0.3799 0.5647 0.3757 ( 5134 PWs) bands (ev): -21.0839 -21.0839 -21.0787 -21.0787 -6.0256 -6.0256 -5.8758 -5.8758 -5.4088 -5.4088 -5.1463 -5.1463 -4.9334 -4.9334 -4.8980 -4.8980 -4.4647 -4.4647 -4.0393 -4.0393 1.5311 1.5311 1.7840 1.7840 2.2845 2.2845 2.7674 2.7674 3.3805 3.3805 4.2103 4.2103 4.6533 4.6533 4.9454 4.9454 5.1719 5.1719 5.6773 5.6773 7.4493 7.4493 9.3572 9.3572 9.5992 9.5992 9.9296 9.9296 k = 0.3863 0.5573 0.3560 ( 5134 PWs) bands (ev): -21.0849 -21.0849 -21.0799 -21.0799 -6.0340 -6.0340 -5.8765 -5.8765 -5.4132 -5.4132 -5.1493 -5.1493 -4.9267 -4.9267 -4.8923 -4.8923 -4.4767 -4.4767 -4.0285 -4.0285 1.4820 1.4820 1.7674 1.7674 2.3872 2.3872 2.7810 2.7810 3.3612 3.3612 4.1877 4.1877 4.6810 4.6810 4.9137 4.9137 5.2493 5.2493 5.7192 5.7192 7.4326 7.4326 9.4577 9.4577 9.6934 9.6934 9.9284 9.9284 k = 0.3926 0.5498 0.3362 ( 5128 PWs) bands (ev): -21.0859 -21.0859 -21.0811 -21.0811 -6.0430 -6.0430 -5.8775 -5.8775 -5.4170 -5.4170 -5.1522 -5.1522 -4.9197 -4.9197 -4.8861 -4.8861 -4.4879 -4.4879 -4.0180 -4.0180 1.4340 1.4340 1.7499 1.7499 2.4926 2.4926 2.7949 2.7949 3.3444 3.3444 4.1627 4.1627 4.7040 4.7040 4.8862 4.8862 5.3229 5.3229 5.7595 5.7595 7.4280 7.4280 9.5564 9.5564 9.7855 9.7855 9.9282 9.9282 k = 0.3989 0.5423 0.3164 ( 5128 PWs) bands (ev): -21.0869 -21.0869 -21.0823 -21.0823 -6.0525 -6.0525 -5.8787 -5.8787 -5.4204 -5.4204 -5.1550 -5.1550 -4.9125 -4.9125 -4.8795 -4.8795 -4.4986 -4.4986 -4.0080 -4.0080 1.3876 1.3876 1.7330 1.7330 2.5975 2.5975 2.8087 2.8087 3.3311 3.3311 4.1360 4.1360 4.7197 4.7197 4.8668 4.8668 5.3901 5.3901 5.7978 5.7978 7.4369 7.4369 9.6495 9.6495 9.8728 9.8728 9.9310 9.9310 k = 0.4052 0.5348 0.2966 ( 5132 PWs) bands (ev): -21.0879 -21.0879 -21.0834 -21.0834 -6.0624 -6.0624 -5.8801 -5.8801 -5.4233 -5.4233 -5.1576 -5.1576 -4.9053 -4.9053 -4.8725 -4.8725 -4.5085 -4.5085 -3.9984 -3.9984 1.3432 1.3432 1.7173 1.7173 2.6991 2.6991 2.8225 2.8225 3.3229 3.3229 4.1080 4.1080 4.7251 4.7251 4.8586 4.8586 5.4498 5.4498 5.8337 5.8337 7.4602 7.4602 9.7304 9.7304 9.9196 9.9196 9.9716 9.9716 k = 0.4115 0.5274 0.2769 ( 5138 PWs) bands (ev): -21.0888 -21.0888 -21.0845 -21.0845 -6.0726 -6.0726 -5.8817 -5.8817 -5.4257 -5.4257 -5.1601 -5.1601 -4.8980 -4.8980 -4.8654 -4.8654 -4.5178 -4.5178 -3.9892 -3.9892 1.3009 1.3009 1.7028 1.7028 2.7938 2.7938 2.8361 2.8361 3.3220 3.3220 4.0792 4.0792 4.7199 4.7199 4.8621 4.8621 5.5016 5.5016 5.8668 5.8668 7.4983 7.4983 9.7894 9.7894 9.9240 9.9240 9.9839 9.9839 k = 0.4179 0.5199 0.2571 ( 5122 PWs) bands (ev): -21.0897 -21.0897 -21.0855 -21.0855 -6.0828 -6.0828 -5.8834 -5.8834 -5.4279 -5.4279 -5.1624 -5.1624 -4.8907 -4.8907 -4.8581 -4.8581 -4.5263 -4.5263 -3.9806 -3.9806 1.2610 1.2610 1.6898 1.6898 2.8488 2.8488 2.8779 2.8779 3.3316 3.3316 4.0502 4.0502 4.7079 4.7079 4.8732 4.8732 5.5456 5.5456 5.8968 5.8968 7.5510 7.5510 9.8171 9.8171 9.9108 9.9108 9.9297 9.9297 k = 0.4242 0.5124 0.2373 ( 5118 PWs) bands (ev): -21.0906 -21.0906 -21.0865 -21.0865 -6.0929 -6.0929 -5.8851 -5.8851 -5.4297 -5.4297 -5.1646 -5.1646 -4.8834 -4.8834 -4.8509 -4.8509 -4.5341 -4.5341 -3.9725 -3.9725 1.2236 1.2236 1.6782 1.6782 2.8613 2.8613 2.9458 2.9458 3.3554 3.3554 4.0214 4.0214 4.6933 4.6933 4.8877 4.8877 5.5826 5.5826 5.9237 5.9237 7.6174 7.6174 9.8099 9.8099 9.8493 9.8493 9.9273 9.9273 k = 0.4305 0.5049 0.2175 ( 5114 PWs) bands (ev): -21.0914 -21.0914 -21.0874 -21.0874 -6.1029 -6.1029 -5.8868 -5.8868 -5.4312 -5.4312 -5.1665 -5.1665 -4.8764 -4.8764 -4.8439 -4.8439 -4.5412 -4.5412 -3.9650 -3.9650 1.1889 1.1889 1.6679 1.6679 2.8730 2.8730 2.9949 2.9949 3.3957 3.3957 3.9933 3.9933 4.6784 4.6784 4.9031 4.9031 5.6135 5.6135 5.9475 5.9475 7.6961 7.6961 9.7685 9.7685 9.7968 9.7968 9.9252 9.9252 k = 0.4368 0.4975 0.1978 ( 5118 PWs) bands (ev): -21.0921 -21.0921 -21.0883 -21.0883 -6.1125 -6.1125 -5.8885 -5.8885 -5.4325 -5.4325 -5.1683 -5.1683 -4.8695 -4.8695 -4.8371 -4.8371 -4.5476 -4.5476 -3.9580 -3.9580 1.1569 1.1569 1.6590 1.6590 2.8836 2.8836 3.0264 3.0264 3.4502 3.4502 3.9666 3.9666 4.6642 4.6642 4.9178 4.9178 5.6396 5.6396 5.9683 5.9683 7.7849 7.7849 9.7135 9.7135 9.7424 9.7424 9.9228 9.9228 k = 0.4431 0.4900 0.1780 ( 5114 PWs) bands (ev): -21.0928 -21.0928 -21.0891 -21.0891 -6.1216 -6.1216 -5.8902 -5.8902 -5.4336 -5.4336 -5.1699 -5.1699 -4.8630 -4.8630 -4.8308 -4.8308 -4.5534 -4.5534 -3.9516 -3.9516 1.1278 1.1278 1.6513 1.6513 2.8929 2.8929 3.0449 3.0449 3.5129 3.5129 3.9419 3.9419 4.6512 4.6512 4.9313 4.9313 5.6622 5.6622 5.9864 5.9864 7.8817 7.8817 9.6596 9.6596 9.6790 9.6790 9.9204 9.9204 k = 0.4494 0.4825 0.1582 ( 5112 PWs) bands (ev): -21.0935 -21.0935 -21.0898 -21.0898 -6.1301 -6.1301 -5.8918 -5.8918 -5.4345 -5.4345 -5.1714 -5.1714 -4.8568 -4.8568 -4.8249 -4.8249 -4.5584 -4.5584 -3.9459 -3.9459 1.1015 1.1015 1.6447 1.6447 2.9010 2.9010 3.0556 3.0556 3.5773 3.5773 3.9201 3.9201 4.6396 4.6396 4.9430 4.9430 5.6825 5.6825 6.0018 6.0018 7.9838 7.9838 9.6053 9.6053 9.6146 9.6146 9.9179 9.9179 k = 0.4558 0.4750 0.1384 ( 5118 PWs) bands (ev): -21.0941 -21.0941 -21.0905 -21.0905 -6.1379 -6.1379 -5.8933 -5.8933 -5.4353 -5.4353 -5.1727 -5.1727 -4.8511 -4.8511 -4.8195 -4.8195 -4.5627 -4.5627 -3.9408 -3.9408 1.0782 1.0782 1.6391 1.6391 2.9076 2.9076 3.0620 3.0620 3.6380 3.6380 3.9025 3.9025 4.6295 4.6295 4.9527 4.9527 5.7013 5.7013 6.0147 6.0147 8.0884 8.0884 9.5368 9.5368 9.5679 9.5679 9.9151 9.9151 k = 0.4621 0.4676 0.1187 ( 5128 PWs) bands (ev): -21.0946 -21.0946 -21.0911 -21.0911 -6.1448 -6.1448 -5.8946 -5.8946 -5.4360 -5.4360 -5.1738 -5.1738 -4.8460 -4.8460 -4.8148 -4.8148 -4.5664 -4.5664 -3.9363 -3.9363 1.0579 1.0579 1.6345 1.6345 2.9128 2.9128 3.0662 3.0662 3.6899 3.6899 3.8912 3.8912 4.6207 4.6207 4.9605 4.9605 5.7192 5.7192 6.0251 6.0251 8.1922 8.1922 9.4683 9.4683 9.5287 9.5287 9.9119 9.9119 k = 0.4684 0.4601 0.0989 ( 5128 PWs) bands (ev): -21.0950 -21.0950 -21.0915 -21.0915 -6.1509 -6.1509 -5.8958 -5.8958 -5.4365 -5.4365 -5.1747 -5.1747 -4.8414 -4.8414 -4.8108 -4.8108 -4.5695 -4.5695 -3.9325 -3.9325 1.0406 1.0406 1.6308 1.6308 2.9166 2.9166 3.0694 3.0694 3.7282 3.7282 3.8893 3.8893 4.6135 4.6135 4.9662 4.9662 5.7362 5.7362 6.0333 6.0333 8.2918 8.2918 9.4048 9.4048 9.4954 9.4954 9.9081 9.9081 k = 0.4747 0.4526 0.0791 ( 5132 PWs) bands (ev): -21.0954 -21.0954 -21.0920 -21.0920 -6.1559 -6.1559 -5.8968 -5.8968 -5.4369 -5.4369 -5.1754 -5.1754 -4.8376 -4.8376 -4.8075 -4.8075 -4.5720 -4.5720 -3.9294 -3.9294 1.0264 1.0264 1.6278 1.6278 2.9194 2.9194 3.0721 3.0721 3.7499 3.7499 3.8986 3.8986 4.6075 4.6075 4.9703 4.9703 5.7520 5.7520 6.0393 6.0393 8.3829 8.3829 9.3492 9.3492 9.4678 9.4678 9.9040 9.9040 k = 0.4810 0.4451 0.0593 ( 5134 PWs) bands (ev): -21.0957 -21.0957 -21.0923 -21.0923 -6.1599 -6.1599 -5.8976 -5.8976 -5.4372 -5.4372 -5.1760 -5.1760 -4.8346 -4.8346 -4.8049 -4.8049 -4.5739 -4.5739 -3.9270 -3.9270 1.0154 1.0154 1.6255 1.6255 2.9212 2.9212 3.0742 3.0742 3.7582 3.7582 3.9150 3.9150 4.6030 4.6030 4.9730 4.9730 5.7658 5.7658 6.0434 6.0434 8.4612 8.4612 9.3035 9.3035 9.4462 9.4462 9.8997 9.8997 k = 0.4874 0.4377 0.0396 ( 5138 PWs) bands (ev): -21.0959 -21.0959 -21.0925 -21.0925 -6.1628 -6.1628 -5.8981 -5.8981 -5.4374 -5.4374 -5.1764 -5.1764 -4.8323 -4.8323 -4.8030 -4.8030 -4.5752 -4.5752 -3.9252 -3.9252 1.0075 1.0075 1.6240 1.6240 2.9223 2.9223 3.0759 3.0759 3.7597 3.7597 3.9315 3.9315 4.5998 4.5998 4.9745 4.9745 5.7766 5.7766 6.0459 6.0459 8.5219 8.5219 9.2697 9.2697 9.4306 9.4306 9.8959 9.8959 k = 0.4937 0.4302 0.0198 ( 5144 PWs) bands (ev): -21.0960 -21.0960 -21.0926 -21.0926 -6.1645 -6.1645 -5.8985 -5.8985 -5.4376 -5.4376 -5.1767 -5.1767 -4.8310 -4.8310 -4.8019 -4.8019 -4.5760 -4.5760 -3.9242 -3.9242 1.0027 1.0027 1.6231 1.6231 2.9229 2.9229 3.0770 3.0770 3.7592 3.7592 3.9430 3.9430 4.5978 4.5978 4.9753 4.9753 5.7836 5.7836 6.0473 6.0473 8.5604 8.5604 9.2489 9.2489 9.4212 9.4212 9.8932 9.8932 k = 0.5000 0.4227 0.0000 ( 5140 PWs) bands (ev): -21.0960 -21.0960 -21.0927 -21.0927 -6.1651 -6.1651 -5.8986 -5.8986 -5.4376 -5.4376 -5.1768 -5.1768 -4.8305 -4.8305 -4.8015 -4.8015 -4.5763 -4.5763 -3.9238 -3.9238 1.0012 1.0012 1.6228 1.6228 2.9230 2.9230 3.0773 3.0773 3.7588 3.7588 3.9471 3.9471 4.5972 4.5972 4.9756 4.9756 5.7860 5.7860 6.0477 6.0477 8.5737 8.5737 9.2419 9.2419 9.4181 9.4181 9.8922 9.8922 k = 0.5000 0.4227 0.0000 ( 5140 PWs) bands (ev): -21.0960 -21.0960 -21.0927 -21.0927 -6.1651 -6.1651 -5.8986 -5.8986 -5.4376 -5.4376 -5.1768 -5.1768 -4.8305 -4.8305 -4.8015 -4.8015 -4.5763 -4.5763 -3.9238 -3.9238 1.0012 1.0012 1.6228 1.6228 2.9230 2.9230 3.0773 3.0773 3.7588 3.7588 3.9471 3.9471 4.5972 4.5972 4.9756 4.9756 5.7860 5.7860 6.0477 6.0477 8.5737 8.5737 9.2419 9.2419 9.4181 9.4181 9.8922 9.8922 k = 0.4833 0.4086 0.0000 ( 5140 PWs) bands (ev): -21.0961 -21.0961 -21.0926 -21.0926 -6.1643 -6.1643 -5.8984 -5.8984 -5.4378 -5.4378 -5.1767 -5.1767 -4.8310 -4.8310 -4.8016 -4.8016 -4.5768 -4.5768 -3.9244 -3.9244 1.0015 1.0015 1.6228 1.6228 2.9229 2.9229 3.0793 3.0793 3.7592 3.7592 3.9471 3.9471 4.5973 4.5973 4.9756 4.9756 5.7862 5.7862 6.0477 6.0477 8.5733 8.5733 9.2405 9.2405 9.4136 9.4136 9.8915 9.8915 k = 0.4667 0.3945 0.0000 ( 5142 PWs) bands (ev): -21.0963 -21.0963 -21.0924 -21.0924 -6.1619 -6.1619 -5.8979 -5.8979 -5.4384 -5.4384 -5.1763 -5.1763 -4.8323 -4.8323 -4.8017 -4.8017 -4.5782 -4.5782 -3.9263 -3.9263 1.0025 1.0025 1.6228 1.6228 2.9224 2.9224 3.0851 3.0851 3.7602 3.7602 3.9470 3.9470 4.5977 4.5977 4.9757 4.9757 5.7865 5.7865 6.0480 6.0480 8.5720 8.5720 9.2361 9.2361 9.4002 9.4002 9.8708 9.8708 k = 0.4500 0.3804 0.0000 ( 5142 PWs) bands (ev): -21.0966 -21.0966 -21.0921 -21.0921 -6.1580 -6.1580 -5.8971 -5.8971 -5.4394 -5.4394 -5.1757 -5.1757 -4.8345 -4.8345 -4.8018 -4.8018 -4.5807 -4.5807 -3.9295 -3.9295 1.0042 1.0042 1.6228 1.6228 2.9218 2.9218 3.0946 3.0946 3.7619 3.7619 3.9469 3.9469 4.5982 4.5982 4.9758 4.9758 5.7871 5.7871 6.0483 6.0483 8.5699 8.5699 9.2282 9.2282 9.3788 9.3788 9.8301 9.8301 k = 0.4333 0.3664 0.0000 ( 5140 PWs) bands (ev): -21.0970 -21.0970 -21.0917 -21.0917 -6.1525 -6.1525 -5.8960 -5.8960 -5.4408 -5.4408 -5.1748 -5.1748 -4.8375 -4.8375 -4.8021 -4.8021 -4.5841 -4.5841 -3.9339 -3.9339 1.0065 1.0065 1.6228 1.6228 2.9209 2.9209 3.1077 3.1077 3.7643 3.7643 3.9467 3.9467 4.5991 4.5991 4.9760 4.9760 5.7879 5.7879 6.0488 6.0488 8.5671 8.5671 9.2155 9.2155 9.3508 9.3508 9.7802 9.7802 k = 0.4167 0.3523 0.0000 ( 5142 PWs) bands (ev): -21.0974 -21.0974 -21.0913 -21.0913 -6.1455 -6.1455 -5.8946 -5.8946 -5.4426 -5.4426 -5.1737 -5.1737 -4.8411 -4.8411 -4.8026 -4.8026 -4.5886 -4.5886 -3.9395 -3.9395 1.0096 1.0096 1.6228 1.6228 2.9201 2.9201 3.1242 3.1242 3.7674 3.7674 3.9466 3.9466 4.6001 4.6001 4.9763 4.9763 5.7890 5.7890 6.0494 6.0494 8.5635 8.5635 9.1964 9.1964 9.3181 9.3181 9.7261 9.7261 k = 0.4000 0.3382 0.0000 ( 5142 PWs) bands (ev): -21.0978 -21.0978 -21.0909 -21.0909 -6.1370 -6.1370 -5.8929 -5.8929 -5.4448 -5.4448 -5.1723 -5.1723 -4.8454 -4.8454 -4.8032 -4.8032 -4.5941 -4.5941 -3.9462 -3.9462 1.0132 1.0132 1.6228 1.6228 2.9192 2.9192 3.1439 3.1439 3.7711 3.7711 3.9464 3.9464 4.6014 4.6014 4.9766 4.9766 5.7903 5.7903 6.0501 6.0501 8.5591 8.5591 9.1685 9.1685 9.2832 9.2832 9.6715 9.6715 k = 0.3833 0.3241 0.0000 ( 5142 PWs) bands (ev): -21.0982 -21.0982 -21.0905 -21.0905 -6.1271 -6.1271 -5.8909 -5.8909 -5.4473 -5.4473 -5.1707 -5.1707 -4.8501 -4.8501 -4.8040 -4.8040 -4.6006 -4.6006 -3.9540 -3.9540 1.0174 1.0174 1.6228 1.6228 2.9185 2.9185 3.1666 3.1666 3.7753 3.7753 3.9461 3.9461 4.6030 4.6030 4.9769 4.9769 5.7920 5.7920 6.0507 6.0507 8.5542 8.5542 9.1306 9.1306 9.2474 9.2474 9.6191 9.6191 k = 0.3667 0.3100 0.0000 ( 5142 PWs) bands (ev): -21.0987 -21.0987 -21.0901 -21.0901 -6.1157 -6.1157 -5.8888 -5.8888 -5.4501 -5.4501 -5.1687 -5.1687 -4.8552 -4.8552 -4.8049 -4.8049 -4.6083 -4.6083 -3.9628 -3.9628 1.0223 1.0223 1.6229 1.6229 2.9178 2.9178 3.1920 3.1920 3.7801 3.7801 3.9459 3.9459 4.6048 4.6048 4.9773 4.9773 5.7939 5.7939 6.0514 6.0514 8.5487 8.5487 9.0832 9.0832 9.2099 9.2099 9.5711 9.5711 k = 0.3500 0.2959 0.0000 ( 5142 PWs) bands (ev): -21.0991 -21.0991 -21.0896 -21.0896 -6.1030 -6.1030 -5.8865 -5.8865 -5.4533 -5.4533 -5.1665 -5.1665 -4.8606 -4.8606 -4.8061 -4.8061 -4.6169 -4.6169 -3.9726 -3.9726 1.0277 1.0277 1.6229 1.6229 2.9173 2.9173 3.2201 3.2201 3.7854 3.7854 3.9457 3.9457 4.6068 4.6068 4.9777 4.9777 5.7962 5.7962 6.0520 6.0520 8.5427 8.5427 9.0287 9.0287 9.1682 9.1682 9.5294 9.5294 k = 0.3333 0.2818 0.0000 ( 5136 PWs) bands (ev): -21.0995 -21.0995 -21.0892 -21.0892 -6.0890 -6.0890 -5.8840 -5.8840 -5.4567 -5.4567 -5.1640 -5.1640 -4.8662 -4.8662 -4.8075 -4.8075 -4.6266 -4.6266 -3.9832 -3.9832 1.0336 1.0336 1.6230 1.6230 2.9168 2.9168 3.2505 3.2505 3.7911 3.7911 3.9455 3.9455 4.6090 4.6090 4.9781 4.9781 5.7988 5.7988 6.0525 6.0525 8.5363 8.5363 8.9696 8.9696 9.1209 9.1209 9.4944 9.4944 k = 0.3167 0.2677 0.0000 ( 5142 PWs) bands (ev): -21.1000 -21.1000 -21.0888 -21.0888 -6.0739 -6.0739 -5.8815 -5.8815 -5.4604 -5.4604 -5.1611 -5.1611 -4.8720 -4.8720 -4.8091 -4.8091 -4.6373 -4.6373 -3.9945 -3.9945 1.0399 1.0399 1.6231 1.6231 2.9165 2.9165 3.2830 3.2830 3.7972 3.7972 3.9453 3.9453 4.6115 4.6115 4.9786 4.9786 5.8017 5.8017 6.0528 6.0528 8.5295 8.5295 8.9077 8.9077 9.0674 9.0674 9.4660 9.4660 k = 0.3000 0.2536 0.0000 ( 5138 PWs) bands (ev): -21.1004 -21.1004 -21.0884 -21.0884 -6.0576 -6.0576 -5.8789 -5.8789 -5.4642 -5.4642 -5.1580 -5.1580 -4.8779 -4.8779 -4.8110 -4.8110 -4.6489 -4.6489 -4.0066 -4.0066 1.0466 1.0466 1.6233 1.6233 2.9163 2.9163 3.3174 3.3174 3.8036 3.8036 3.9451 3.9451 4.6143 4.6143 4.9791 4.9791 5.8049 5.8049 6.0530 6.0530 8.5225 8.5225 8.8444 8.8444 9.0085 9.0085 9.4429 9.4429 k = 0.2833 0.2395 0.0000 ( 5148 PWs) bands (ev): -21.1008 -21.1008 -21.0880 -21.0880 -6.0403 -6.0403 -5.8763 -5.8763 -5.4683 -5.4683 -5.1546 -5.1546 -4.8838 -4.8838 -4.8131 -4.8131 -4.6614 -4.6614 -4.0191 -4.0191 1.0537 1.0537 1.6234 1.6234 2.9161 2.9161 3.3533 3.3533 3.8102 3.8102 3.9450 3.9450 4.6172 4.6172 4.9796 4.9796 5.8085 5.8085 6.0529 6.0529 8.5153 8.5153 8.7809 8.7809 8.9454 8.9454 9.4239 9.4239 k = 0.2667 0.2255 0.0000 ( 5152 PWs) bands (ev): -21.1012 -21.1012 -21.0876 -21.0876 -6.0221 -6.0221 -5.8736 -5.8736 -5.4725 -5.4725 -5.1509 -5.1509 -4.8897 -4.8897 -4.8154 -4.8154 -4.6745 -4.6745 -4.0321 -4.0321 1.0610 1.0610 1.6236 1.6236 2.9161 2.9161 3.3906 3.3906 3.8170 3.8170 3.9448 3.9448 4.6203 4.6203 4.9802 4.9802 5.8125 5.8125 6.0526 6.0526 8.5079 8.5079 8.7178 8.7178 8.8795 8.8795 9.4078 9.4078 k = 0.2500 0.2114 0.0000 ( 5161 PWs) bands (ev): -21.1016 -21.1016 -21.0873 -21.0873 -6.0031 -6.0031 -5.8710 -5.8710 -5.4768 -5.4768 -5.1470 -5.1470 -4.8956 -4.8956 -4.8179 -4.8179 -4.6882 -4.6882 -4.0454 -4.0454 1.0685 1.0685 1.6239 1.6239 2.9161 2.9161 3.4289 3.4289 3.8237 3.8237 3.9448 3.9448 4.6235 4.6235 4.9808 4.9808 5.8167 5.8167 6.0521 6.0521 8.5005 8.5005 8.6558 8.6558 8.8120 8.8120 9.3937 9.3937 k = 0.2333 0.1973 0.0000 ( 5169 PWs) bands (ev): -21.1019 -21.1019 -21.0869 -21.0869 -5.9836 -5.9836 -5.8684 -5.8684 -5.4811 -5.4811 -5.1428 -5.1428 -4.9015 -4.9015 -4.8207 -4.8207 -4.7022 -4.7022 -4.0588 -4.0588 1.0760 1.0760 1.6241 1.6241 2.9162 2.9162 3.4678 3.4678 3.8304 3.8304 3.9447 3.9447 4.6269 4.6269 4.9815 4.9815 5.8213 5.8213 6.0512 6.0512 8.4932 8.4932 8.5955 8.5955 8.7440 8.7440 9.3808 9.3808 k = 0.2167 0.1832 0.0000 ( 5161 PWs) bands (ev): -21.1023 -21.1023 -21.0866 -21.0866 -5.9637 -5.9637 -5.8658 -5.8658 -5.4855 -5.4855 -5.1384 -5.1384 -4.9074 -4.9074 -4.8238 -4.8238 -4.7164 -4.7164 -4.0722 -4.0722 1.0835 1.0835 1.6244 1.6244 2.9164 2.9164 3.5070 3.5070 3.8370 3.8370 3.9446 3.9446 4.6303 4.6303 4.9821 4.9821 5.8261 5.8261 6.0500 6.0500 8.4857 8.4857 8.5374 8.5374 8.6765 8.6765 9.3688 9.3688 k = 0.2000 0.1691 0.0000 ( 5173 PWs) bands (ev): -21.1026 -21.1026 -21.0863 -21.0863 -5.9436 -5.9436 -5.8632 -5.8632 -5.4899 -5.4899 -5.1338 -5.1338 -4.9133 -4.9133 -4.8271 -4.8271 -4.7304 -4.7304 -4.0854 -4.0854 1.0909 1.0909 1.6247 1.6247 2.9166 2.9166 3.5463 3.5463 3.8433 3.8433 3.9445 3.9445 4.6337 4.6337 4.9829 4.9829 5.8311 5.8311 6.0485 6.0485 8.4779 8.4779 8.4820 8.4820 8.6104 8.6104 9.3573 9.3573 k = 0.1833 0.1550 0.0000 ( 5183 PWs) bands (ev): -21.1029 -21.1029 -21.0860 -21.0860 -5.9239 -5.9239 -5.8603 -5.8603 -5.4944 -5.4944 -5.1292 -5.1292 -4.9194 -4.9194 -4.8306 -4.8306 -4.7440 -4.7440 -4.0984 -4.0984 1.0982 1.0982 1.6250 1.6250 2.9168 2.9168 3.5851 3.5851 3.8493 3.8493 3.9444 3.9444 4.6372 4.6372 4.9836 4.9836 5.8363 5.8363 6.0467 6.0467 8.4290 8.4290 8.4700 8.4700 8.5474 8.5474 9.3464 9.3464 k = 0.1667 0.1409 0.0000 ( 5177 PWs) bands (ev): -21.1032 -21.1032 -21.0857 -21.0857 -5.9050 -5.9050 -5.8567 -5.8567 -5.4988 -5.4988 -5.1245 -5.1245 -4.9257 -4.9257 -4.8343 -4.8343 -4.7570 -4.7570 -4.1109 -4.1109 1.1051 1.1051 1.6253 1.6253 2.9171 2.9171 3.6231 3.6231 3.8549 3.8549 3.9440 3.9440 4.6405 4.6405 4.9844 4.9844 5.8416 5.8416 6.0446 6.0446 8.3795 8.3795 8.4560 8.4560 8.4932 8.4932 9.3359 9.3359 k = 0.1500 0.1268 0.0000 ( 5161 PWs) bands (ev): -21.1034 -21.1034 -21.0855 -21.0855 -5.8884 -5.8884 -5.8514 -5.8514 -5.5031 -5.5031 -5.1198 -5.1198 -4.9322 -4.9322 -4.8381 -4.8381 -4.7689 -4.7689 -4.1229 -4.1229 1.1116 1.1116 1.6256 1.6256 2.9173 2.9173 3.6600 3.6600 3.8600 3.8600 3.9435 3.9435 4.6437 4.6437 4.9852 4.9852 5.8470 5.8470 6.0422 6.0422 8.3336 8.3336 8.4159 8.4159 8.4687 8.4687 9.3259 9.3259 k = 0.1333 0.1127 0.0000 ( 5149 PWs) bands (ev): -21.1037 -21.1037 -21.0853 -21.0853 -5.8762 -5.8762 -5.8425 -5.8425 -5.5074 -5.5074 -5.1152 -5.1152 -4.9389 -4.9389 -4.8418 -4.8418 -4.7798 -4.7798 -4.1340 -4.1340 1.1177 1.1177 1.6260 1.6260 2.9176 2.9176 3.6952 3.6952 3.8647 3.8647 3.9426 3.9426 4.6467 4.6467 4.9859 4.9859 5.8523 5.8523 6.0397 6.0397 8.2916 8.2916 8.3645 8.3645 8.4602 8.4602 9.3164 9.3164 k = 0.1167 0.0986 0.0000 ( 5143 PWs) bands (ev): -21.1039 -21.1039 -21.0851 -21.0851 -5.8692 -5.8692 -5.8294 -5.8294 -5.5116 -5.5116 -5.1109 -5.1109 -4.9458 -4.9458 -4.8454 -4.8454 -4.7894 -4.7894 -4.1443 -4.1443 1.1233 1.1233 1.6263 1.6263 2.9178 2.9178 3.7286 3.7286 3.8689 3.8689 3.9412 3.9412 4.6495 4.6495 4.9867 4.9867 5.8575 5.8575 6.0370 6.0370 8.2538 8.2538 8.3156 8.3156 8.4543 8.4543 9.3077 9.3077 k = 0.1000 0.0845 0.0000 ( 5139 PWs) bands (ev): -21.1040 -21.1040 -21.0849 -21.0849 -5.8654 -5.8654 -5.8145 -5.8145 -5.5156 -5.5156 -5.1068 -5.1068 -4.9528 -4.9528 -4.8486 -4.8486 -4.7976 -4.7976 -4.1535 -4.1535 1.1283 1.1283 1.6266 1.6266 2.9181 2.9181 3.7595 3.7595 3.8726 3.8726 3.9391 3.9391 4.6519 4.6519 4.9874 4.9874 5.8624 5.8624 6.0343 6.0343 8.2204 8.2204 8.2714 8.2714 8.4496 8.4496 9.2998 9.2998 k = 0.0833 0.0705 0.0000 ( 5135 PWs) bands (ev): -21.1042 -21.1042 -21.0847 -21.0847 -5.8632 -5.8632 -5.7999 -5.7999 -5.5195 -5.5195 -5.1031 -5.1031 -4.9596 -4.9596 -4.8512 -4.8512 -4.8046 -4.8046 -4.1615 -4.1615 1.1326 1.1326 1.6268 1.6268 2.9183 2.9183 3.7878 3.7878 3.8758 3.8758 3.9361 3.9361 4.6541 4.6541 4.9881 4.9881 5.8670 5.8670 6.0317 6.0317 8.1917 8.1917 8.2328 8.2328 8.4456 8.4456 9.2929 9.2929 k = 0.0667 0.0564 0.0000 ( 5143 PWs) bands (ev): -21.1043 -21.1043 -21.0846 -21.0846 -5.8618 -5.8618 -5.7866 -5.7866 -5.5229 -5.5229 -5.0999 -5.0999 -4.9659 -4.9659 -4.8533 -4.8533 -4.8104 -4.8104 -4.1683 -4.1683 1.1362 1.1362 1.6271 1.6271 2.9185 2.9185 3.8129 3.8129 3.8789 3.8789 3.9321 3.9321 4.6559 4.6559 4.9887 4.9887 5.8710 5.8710 6.0293 6.0293 8.1678 8.1678 8.2005 8.2005 8.4424 8.4424 9.2871 9.2871 k = 0.0500 0.0423 0.0000 ( 5149 PWs) bands (ev): -21.1044 -21.1044 -21.0845 -21.0845 -5.8609 -5.8609 -5.7755 -5.7755 -5.5259 -5.5259 -5.0973 -5.0973 -4.9713 -4.9713 -4.8548 -4.8548 -4.8149 -4.8149 -4.1737 -4.1737 1.1390 1.1390 1.6273 1.6273 2.9186 2.9186 3.8343 3.8343 3.8821 3.8821 3.9267 3.9267 4.6573 4.6573 4.9891 4.9891 5.8743 5.8743 6.0272 6.0272 8.1491 8.1491 8.1748 8.1748 8.4399 8.4399 9.2824 9.2824 k = 0.0333 0.0282 0.0000 ( 5145 PWs) bands (ev): -21.1045 -21.1045 -21.0845 -21.0845 -5.8604 -5.8604 -5.7671 -5.7671 -5.5283 -5.5283 -5.0953 -5.0953 -4.9755 -4.9755 -4.8557 -4.8557 -4.8181 -4.8181 -4.1776 -4.1776 1.1411 1.1411 1.6274 1.6274 2.9187 2.9187 3.8509 3.8509 3.8864 3.8864 3.9199 3.9199 4.6583 4.6583 4.9895 4.9895 5.8768 5.8768 6.0256 6.0256 8.1356 8.1356 8.1562 8.1562 8.4382 8.4382 9.2790 9.2790 k = 0.0167 0.0141 0.0000 ( 5141 PWs) bands (ev): -21.1045 -21.1045 -21.0844 -21.0844 -5.8601 -5.8601 -5.7619 -5.7619 -5.5297 -5.5297 -5.0941 -5.0941 -4.9781 -4.9781 -4.8562 -4.8562 -4.8201 -4.8201 -4.1799 -4.1799 1.1423 1.1423 1.6275 1.6275 2.9188 2.9188 3.8610 3.8610 3.8931 3.8931 3.9116 3.9116 4.6589 4.6589 4.9897 4.9897 5.8784 5.8784 6.0246 6.0246 8.1275 8.1275 8.1449 8.1449 8.4371 8.4371 9.2770 9.2770 k = 0.0000 0.0000 0.0000 ( 5141 PWs) bands (ev): -21.1046 -21.1046 -21.0844 -21.0844 -5.8600 -5.8600 -5.7601 -5.7601 -5.5302 -5.5302 -5.0937 -5.0937 -4.9790 -4.9790 -4.8564 -4.8564 -4.8208 -4.8208 -4.1807 -4.1807 1.1427 1.1427 1.6275 1.6275 2.9188 2.9188 3.8641 3.8641 3.9021 3.9021 3.9023 3.9023 4.6591 4.6591 4.9898 4.9898 5.8789 5.8789 6.0242 6.0242 8.1248 8.1248 8.1412 8.1412 8.4367 8.4367 9.2763 9.2763 k = 0.0000 0.0000 0.0000 ( 5141 PWs) bands (ev): -21.1046 -21.1046 -21.0844 -21.0844 -5.8600 -5.8600 -5.7601 -5.7601 -5.5302 -5.5302 -5.0937 -5.0937 -4.9790 -4.9790 -4.8564 -4.8564 -4.8208 -4.8208 -4.1807 -4.1807 1.1427 1.1427 1.6275 1.6275 2.9188 2.9188 3.8641 3.8641 3.9021 3.9021 3.9023 3.9023 4.6591 4.6591 4.9898 4.9898 5.8789 5.8789 6.0242 6.0242 8.1248 8.1248 8.1412 8.1412 8.4367 8.4367 9.2763 9.2763 k = 0.0127-0.0150 0.0097 ( 5145 PWs) bands (ev): -21.1045 -21.1045 -21.0844 -21.0844 -5.8601 -5.8601 -5.7615 -5.7615 -5.5295 -5.5295 -5.0946 -5.0946 -4.9773 -4.9773 -4.8563 -4.8563 -4.8207 -4.8207 -4.1810 -4.1810 1.1439 1.1439 1.6277 1.6277 2.9184 2.9184 3.8637 3.8637 3.8989 3.8989 3.9061 3.9061 4.6592 4.6592 4.9888 4.9888 5.8709 5.8709 6.0229 6.0229 8.1267 8.1267 8.1499 8.1499 8.4365 8.4365 9.2802 9.2802 k = 0.0254-0.0300 0.0195 ( 5149 PWs) bands (ev): -21.1045 -21.1045 -21.0845 -21.0845 -5.8604 -5.8604 -5.7653 -5.7653 -5.5272 -5.5272 -5.0971 -5.0971 -4.9722 -4.9722 -4.8560 -4.8560 -4.8203 -4.8203 -4.1818 -4.1818 1.1475 1.1475 1.6282 1.6282 2.9170 2.9170 3.8624 3.8624 3.8962 3.8962 3.9105 3.9105 4.6595 4.6595 4.9857 4.9857 5.8479 5.8479 6.0184 6.0184 8.1361 8.1361 8.1720 8.1720 8.4359 8.4359 9.2921 9.2921 k = 0.0381-0.0450 0.0292 ( 5149 PWs) bands (ev): -21.1044 -21.1044 -21.0845 -21.0845 -5.8612 -5.8612 -5.7713 -5.7713 -5.5236 -5.5236 -5.1008 -5.1008 -4.9643 -4.9643 -4.8555 -4.8555 -4.8196 -4.8196 -4.1832 -4.1832 1.1533 1.1533 1.6291 1.6291 2.9149 2.9149 3.8602 3.8602 3.8940 3.8940 3.9157 3.9157 4.6599 4.6599 4.9804 4.9804 5.8125 5.8125 6.0100 6.0100 8.1548 8.1548 8.2039 8.2039 8.4350 8.4350 9.3119 9.3119 k = 0.0508-0.0601 0.0389 ( 5151 PWs) bands (ev): -21.1043 -21.1043 -21.0846 -21.0846 -5.8624 -5.8624 -5.7791 -5.7791 -5.5191 -5.5191 -5.1052 -5.1052 -4.9543 -4.9543 -4.8547 -4.8547 -4.8186 -4.8186 -4.1850 -4.1850 1.1612 1.1612 1.6303 1.6303 2.9119 2.9119 3.8570 3.8570 3.8923 3.8923 3.9215 3.9215 4.6605 4.6605 4.9724 4.9724 5.7675 5.7675 5.9975 5.9975 8.1826 8.1826 8.2433 8.2433 8.4338 8.4338 9.3396 9.3396 k = 0.0635-0.0751 0.0487 ( 5141 PWs) bands (ev): -21.1042 -21.1042 -21.0847 -21.0847 -5.8643 -5.8643 -5.7880 -5.7880 -5.5138 -5.5138 -5.1096 -5.1096 -4.9429 -4.9429 -4.8538 -4.8538 -4.8171 -4.8171 -4.1871 -4.1871 1.1710 1.1710 1.6319 1.6319 2.9082 2.9082 3.8527 3.8527 3.8911 3.8911 3.9280 3.9280 4.6612 4.6612 4.9612 4.9612 5.7160 5.7160 5.9812 5.9812 8.2184 8.2184 8.2885 8.2885 8.4327 8.4327 9.3751 9.3751 k = 0.0762-0.0901 0.0584 ( 5145 PWs) bands (ev): -21.1041 -21.1041 -21.0849 -21.0849 -5.8674 -5.8674 -5.7973 -5.7973 -5.5081 -5.5081 -5.1140 -5.1140 -4.9306 -4.9306 -4.8526 -4.8526 -4.8152 -4.8152 -4.1894 -4.1894 1.1824 1.1824 1.6339 1.6339 2.9038 2.9038 3.8473 3.8473 3.8902 3.8902 3.9354 3.9354 4.6618 4.6618 4.9462 4.9462 5.6610 5.6610 5.9617 5.9617 8.2606 8.2606 8.3379 8.3379 8.4320 8.4320 9.4179 9.4179 k = 0.0889-0.1051 0.0681 ( 5153 PWs) bands (ev): -21.1039 -21.1039 -21.0850 -21.0850 -5.8721 -5.8721 -5.8062 -5.8062 -5.5022 -5.5022 -5.1180 -5.1180 -4.9180 -4.9180 -4.8512 -4.8512 -4.8127 -4.8127 -4.1916 -4.1916 1.1951 1.1951 1.6363 1.6363 2.8989 2.8989 3.8405 3.8405 3.8898 3.8898 3.9436 3.9436 4.6623 4.6623 4.9267 4.9267 5.6054 5.6054 5.9400 5.9400 8.3064 8.3064 8.3903 8.3903 8.4330 8.4330 9.4675 9.4675 k = 0.1016-0.1201 0.0779 ( 5153 PWs) bands (ev): -21.1037 -21.1037 -21.0852 -21.0852 -5.8789 -5.8789 -5.8139 -5.8139 -5.4964 -5.4964 -5.1215 -5.1215 -4.9057 -4.9057 -4.8496 -4.8496 -4.8094 -4.8094 -4.1938 -4.1938 1.2087 1.2087 1.6389 1.6389 2.8935 2.8935 3.8323 3.8323 3.8896 3.8896 3.9528 3.9528 4.6623 4.6623 4.9019 4.9019 5.5521 5.5521 5.9170 5.9170 8.3507 8.3507 8.4378 8.4378 8.4468 8.4468 9.5225 9.5225 k = 0.1143-0.1351 0.0876 ( 5153 PWs) bands (ev): -21.1035 -21.1035 -21.0854 -21.0854 -5.8881 -5.8881 -5.8199 -5.8199 -5.4907 -5.4907 -5.1246 -5.1246 -4.8941 -4.8941 -4.8477 -4.8477 -4.8049 -4.8049 -4.1955 -4.1955 1.2229 1.2229 1.6420 1.6420 2.8877 2.8877 3.8227 3.8227 3.8896 3.8896 3.9630 3.9630 4.6615 4.6615 4.8717 4.8717 5.5032 5.5032 5.8937 5.8937 8.3818 8.3818 8.4584 8.4584 8.5053 8.5053 9.5815 9.5815 k = 0.1269-0.1502 0.0973 ( 5149 PWs) bands (ev): -21.1033 -21.1033 -21.0857 -21.0857 -5.8996 -5.8996 -5.8242 -5.8242 -5.4853 -5.4853 -5.1271 -5.1271 -4.8838 -4.8838 -4.8456 -4.8456 -4.7992 -4.7992 -4.1966 -4.1966 1.2371 1.2371 1.6453 1.6453 2.8816 2.8816 3.8114 3.8114 3.8896 3.8896 3.9742 3.9742 4.6587 4.6587 4.8369 4.8369 5.4606 5.4606 5.8708 5.8708 8.3939 8.3939 8.4964 8.4964 8.5694 8.5694 9.6421 9.6421 k = 0.1396-0.1652 0.1070 ( 5157 PWs) bands (ev): -21.1030 -21.1030 -21.0859 -21.0859 -5.9127 -5.9127 -5.8272 -5.8272 -5.4803 -5.4803 -5.1291 -5.1291 -4.8752 -4.8752 -4.8432 -4.8432 -4.7920 -4.7920 -4.1970 -4.1970 1.2510 1.2510 1.6488 1.6488 2.8754 2.8754 3.7985 3.7985 3.8897 3.8897 3.9867 3.9867 4.6519 4.6519 4.8000 4.8000 5.4251 5.4251 5.8491 5.8491 8.3968 8.3968 8.5412 8.5412 8.6390 8.6390 9.7017 9.7017 k = 0.1523-0.1802 0.1168 ( 5155 PWs) bands (ev): -21.1027 -21.1027 -21.0862 -21.0862 -5.9270 -5.9270 -5.8292 -5.8292 -5.4756 -5.4756 -5.1307 -5.1307 -4.8684 -4.8684 -4.8408 -4.8408 -4.7833 -4.7833 -4.1963 -4.1963 1.2641 1.2641 1.6524 1.6524 2.8691 2.8691 3.7838 3.7838 3.8897 3.8897 4.0003 4.0003 4.6370 4.6370 4.7664 4.7664 5.3968 5.3968 5.8292 5.8292 8.3967 8.3967 8.5866 8.5866 8.7135 8.7135 9.7571 9.7571 k = 0.1650-0.1952 0.1265 ( 5153 PWs) bands (ev): -21.1025 -21.1025 -21.0864 -21.0864 -5.9419 -5.9419 -5.8307 -5.8307 -5.4713 -5.4713 -5.1320 -5.1320 -4.8631 -4.8631 -4.8383 -4.8383 -4.7733 -4.7733 -4.1945 -4.1945 1.2760 1.2760 1.6561 1.6561 2.8628 2.8628 3.7673 3.7673 3.8895 3.8895 4.0151 4.0151 4.6089 4.6089 4.7428 4.7428 5.3750 5.3750 5.8117 5.8117 8.3957 8.3957 8.6314 8.6314 8.7921 8.7921 9.8048 9.8048 k = 0.1777-0.2102 0.1362 ( 5153 PWs) bands (ev): -21.1022 -21.1022 -21.0867 -21.0867 -5.9572 -5.9572 -5.8319 -5.8319 -5.4675 -5.4675 -5.1331 -5.1331 -4.8590 -4.8590 -4.8359 -4.8359 -4.7625 -4.7625 -4.1914 -4.1914 1.2863 1.2863 1.6595 1.6595 2.8567 2.8567 3.7491 3.7491 3.8891 3.8891 4.0309 4.0309 4.5682 4.5682 4.7307 4.7307 5.3590 5.3590 5.7970 5.7970 8.3947 8.3947 8.6756 8.6756 8.8739 8.8739 9.8417 9.8417 k = 0.1904-0.2252 0.1460 ( 5147 PWs) bands (ev): -21.1018 -21.1018 -21.0870 -21.0870 -5.9726 -5.9726 -5.8330 -5.8330 -5.4641 -5.4641 -5.1340 -5.1340 -4.8558 -4.8558 -4.8337 -4.8337 -4.7512 -4.7512 -4.1868 -4.1868 1.2947 1.2947 1.6626 1.6626 2.8508 2.8508 3.7292 3.7292 3.8884 3.8884 4.0473 4.0473 4.5208 4.5208 4.7262 4.7262 5.3477 5.3477 5.7854 5.7854 8.3941 8.3941 8.7194 8.7194 8.9582 8.9582 9.8658 9.8658 k = 0.2031-0.2402 0.1557 ( 5151 PWs) bands (ev): -21.1015 -21.1015 -21.0873 -21.0873 -5.9878 -5.9878 -5.8342 -5.8342 -5.4610 -5.4610 -5.1348 -5.1348 -4.8532 -4.8532 -4.8316 -4.8316 -4.7398 -4.7398 -4.1807 -4.1807 1.3010 1.3010 1.6651 1.6651 2.8452 2.8452 3.7076 3.7076 3.8873 3.8873 4.0636 4.0636 4.4726 4.4726 4.7260 4.7260 5.3405 5.3405 5.7771 5.7771 8.3940 8.3940 8.7633 8.7633 9.0442 9.0442 9.8774 9.8774 k = 0.2158-0.2553 0.1654 ( 5143 PWs) bands (ev): -21.1012 -21.1012 -21.0877 -21.0877 -6.0027 -6.0027 -5.8354 -5.8354 -5.4583 -5.4583 -5.1357 -5.1357 -4.8510 -4.8510 -4.8297 -4.8297 -4.7284 -4.7284 -4.1731 -4.1731 1.3048 1.3048 1.6669 1.6669 2.8400 2.8400 3.6844 3.6844 3.8858 3.8858 4.0786 4.0786 4.4278 4.4278 4.7283 4.7283 5.3365 5.3365 5.7721 5.7721 8.3948 8.3948 8.8076 8.8076 9.1313 9.1313 9.8786 9.8786 k = 0.2285-0.2703 0.1752 ( 5144 PWs) bands (ev): -21.1009 -21.1009 -21.0880 -21.0880 -6.0172 -6.0172 -5.8368 -5.8368 -5.4559 -5.4559 -5.1367 -5.1367 -4.8490 -4.8490 -4.8280 -4.8280 -4.7172 -4.7172 -4.1639 -4.1639 1.3059 1.3059 1.6678 1.6678 2.8352 2.8352 3.6598 3.6598 3.8836 3.8836 4.0902 4.0902 4.3903 4.3903 4.7322 4.7322 5.3355 5.3355 5.7706 5.7706 8.3964 8.3964 8.8525 8.8525 9.2189 9.2189 9.8721 9.8721 k = 0.2412-0.2853 0.1849 ( 5132 PWs) bands (ev): -21.1005 -21.1005 -21.0883 -21.0883 -6.0312 -6.0312 -5.8385 -5.8385 -5.4538 -5.4538 -5.1379 -5.1379 -4.8473 -4.8473 -4.8263 -4.8263 -4.7064 -4.7064 -4.1534 -4.1534 1.3044 1.3044 1.6678 1.6678 2.8309 2.8309 3.6339 3.6339 3.8808 3.8808 4.0956 4.0956 4.3641 4.3641 4.7376 4.7376 5.3370 5.3370 5.7723 5.7723 8.3992 8.3992 8.8982 8.8982 9.3063 9.3063 9.8604 9.8604 k = 0.2539-0.3003 0.1946 ( 5136 PWs) bands (ev): -21.1002 -21.1002 -21.0887 -21.0887 -6.0447 -6.0447 -5.8405 -5.8405 -5.4519 -5.4519 -5.1393 -5.1393 -4.8457 -4.8457 -4.8247 -4.8247 -4.6958 -4.6958 -4.1416 -4.1416 1.3000 1.3000 1.6667 1.6667 2.8272 2.8272 3.6067 3.6067 3.8772 3.8772 4.0921 4.0921 4.3523 4.3523 4.7442 4.7442 5.3409 5.3409 5.7773 5.7773 8.4030 8.4030 8.9448 8.9448 9.3929 9.3929 9.8452 9.8452 k = 0.2666-0.3153 0.2044 ( 5132 PWs) bands (ev): -21.0998 -21.0998 -21.0890 -21.0890 -6.0575 -6.0575 -5.8427 -5.8427 -5.4503 -5.4503 -5.1409 -5.1409 -4.8442 -4.8442 -4.8231 -4.8231 -4.6856 -4.6856 -4.1287 -4.1287 1.2927 1.2927 1.6648 1.6648 2.8242 2.8242 3.5785 3.5785 3.8726 3.8726 4.0802 4.0802 4.3549 4.3549 4.7522 4.7522 5.3472 5.3472 5.7851 5.7851 8.4080 8.4080 8.9924 8.9924 9.4774 9.4774 9.8278 9.8278 k = 0.2793-0.3303 0.2141 ( 5138 PWs) bands (ev): -21.0995 -21.0995 -21.0893 -21.0893 -6.0697 -6.0697 -5.8453 -5.8453 -5.4488 -5.4488 -5.1428 -5.1428 -4.8428 -4.8428 -4.8216 -4.8216 -4.6758 -4.6758 -4.1148 -4.1148 1.2826 1.2826 1.6621 1.6621 2.8218 2.8218 3.5491 3.5491 3.8669 3.8669 4.0627 4.0627 4.3688 4.3688 4.7616 4.7616 5.3559 5.3559 5.7957 5.7957 8.4142 8.4142 9.0408 9.0408 9.5583 9.5583 9.8092 9.8092 k = 0.2920-0.3454 0.2238 ( 5138 PWs) bands (ev): -21.0992 -21.0992 -21.0896 -21.0896 -6.0811 -6.0811 -5.8483 -5.8483 -5.4475 -5.4475 -5.1449 -5.1449 -4.8415 -4.8415 -4.8201 -4.8201 -4.6662 -4.6662 -4.1001 -4.1001 1.2697 1.2697 1.6589 1.6589 2.8203 2.8203 3.5188 3.5188 3.8600 3.8600 4.0433 4.0433 4.3899 4.3899 4.7727 4.7727 5.3671 5.3671 5.8087 5.8087 8.4216 8.4216 9.0899 9.0899 9.6326 9.6326 9.7910 9.7910 k = 0.3047-0.3604 0.2336 ( 5132 PWs) bands (ev): -21.0989 -21.0989 -21.0899 -21.0899 -6.0918 -6.0918 -5.8515 -5.8515 -5.4463 -5.4463 -5.1473 -5.1473 -4.8403 -4.8403 -4.8185 -4.8185 -4.6570 -4.6570 -4.0849 -4.0849 1.2543 1.2543 1.6552 1.6552 2.8196 2.8196 3.4876 3.4876 3.8519 3.8519 4.0248 4.0248 4.4146 4.4146 4.7854 4.7854 5.3812 5.3812 5.8237 5.8237 8.4302 8.4302 9.1398 9.1398 9.6912 9.6912 9.7792 9.7792 k = 0.3174-0.3754 0.2433 ( 5120 PWs) bands (ev): -21.0985 -21.0985 -21.0902 -21.0902 -6.1017 -6.1017 -5.8550 -5.8550 -5.4453 -5.4453 -5.1498 -5.1498 -4.8391 -4.8391 -4.8169 -4.8169 -4.6481 -4.6481 -4.0694 -4.0694 1.2365 1.2365 1.6514 1.6514 2.8199 2.8199 3.4557 3.4557 3.8428 3.8428 4.0085 4.0085 4.4406 4.4406 4.8000 4.8000 5.3982 5.3982 5.8405 5.8405 8.4398 8.4398 9.1900 9.1900 9.7089 9.7089 9.7938 9.7938 k = 0.3301-0.3904 0.2530 ( 5126 PWs) bands (ev): -21.0982 -21.0982 -21.0905 -21.0905 -6.1108 -6.1108 -5.8588 -5.8588 -5.4443 -5.4443 -5.1524 -5.1524 -4.8380 -4.8380 -4.8154 -4.8154 -4.6396 -4.6396 -4.0538 -4.0538 1.2168 1.2168 1.6476 1.6476 2.8213 2.8213 3.4232 3.4232 3.8330 3.8330 3.9949 3.9949 4.4660 4.4660 4.8163 4.8163 5.4185 5.4185 5.8587 5.8587 8.4503 8.4503 9.2405 9.2405 9.6919 9.6919 9.8211 9.8211 k = 0.3428-0.4054 0.2627 ( 5132 PWs) bands (ev): -21.0979 -21.0979 -21.0908 -21.0908 -6.1192 -6.1192 -5.8627 -5.8627 -5.4434 -5.4434 -5.1552 -5.1552 -4.8370 -4.8370 -4.8138 -4.8138 -4.6314 -4.6314 -4.0383 -4.0383 1.1955 1.1955 1.6439 1.6439 2.8238 2.8238 3.3902 3.3902 3.8229 3.8229 3.9840 3.9840 4.4896 4.4896 4.8340 4.8340 5.4423 5.4423 5.8779 5.8779 8.4617 8.4617 9.2907 9.2907 9.6645 9.6645 9.8284 9.8284 k = 0.3555-0.4204 0.2725 ( 5116 PWs) bands (ev): -21.0977 -21.0977 -21.0911 -21.0911 -6.1268 -6.1268 -5.8668 -5.8668 -5.4426 -5.4426 -5.1579 -5.1579 -4.8360 -4.8360 -4.8123 -4.8123 -4.6236 -4.6236 -4.0231 -4.0231 1.1733 1.1733 1.6405 1.6405 2.8275 2.8275 3.3571 3.3571 3.8130 3.8130 3.9753 3.9753 4.5106 4.5106 4.8527 4.8527 5.4696 5.4696 5.8977 5.8977 8.4736 8.4736 9.3404 9.3404 9.6325 9.6325 9.8090 9.8090 k = 0.3681-0.4354 0.2822 ( 5118 PWs) bands (ev): -21.0974 -21.0974 -21.0913 -21.0913 -6.1336 -6.1336 -5.8710 -5.8710 -5.4418 -5.4418 -5.1606 -5.1606 -4.8351 -4.8351 -4.8107 -4.8107 -4.6163 -4.6163 -4.0083 -4.0083 1.1505 1.1505 1.6373 1.6373 2.8324 2.8324 3.3240 3.3240 3.8036 3.8036 3.9686 3.9686 4.5289 4.5289 4.8716 4.8716 5.5004 5.5004 5.9177 5.9177 8.4860 8.4860 9.3883 9.3883 9.5980 9.5980 9.7701 9.7701 k = 0.3808-0.4505 0.2919 ( 5132 PWs) bands (ev): -21.0972 -21.0972 -21.0916 -21.0916 -6.1397 -6.1397 -5.8751 -5.8751 -5.4411 -5.4411 -5.1633 -5.1633 -4.8343 -4.8343 -4.8093 -4.8093 -4.6094 -4.6094 -3.9943 -3.9943 1.1277 1.1277 1.6344 1.6344 2.8387 2.8387 3.2913 3.2913 3.7950 3.7950 3.9633 3.9633 4.5442 4.5442 4.8901 4.8901 5.5341 5.5341 5.9375 5.9375 8.4985 8.4985 9.4313 9.4313 9.5647 9.5647 9.7214 9.7214 k = 0.3935-0.4655 0.3017 ( 5144 PWs) bands (ev): -21.0969 -21.0969 -21.0918 -21.0918 -6.1451 -6.1451 -5.8791 -5.8791 -5.4404 -5.4404 -5.1658 -5.1658 -4.8335 -4.8335 -4.8079 -4.8079 -4.6031 -4.6031 -3.9812 -3.9812 1.1056 1.1056 1.6319 1.6319 2.8461 2.8461 3.2591 3.2591 3.7874 3.7874 3.9591 3.9591 4.5570 4.5570 4.9074 4.9074 5.5701 5.5701 5.9567 5.9567 8.5110 8.5110 9.4554 9.4554 9.5475 9.5475 9.6697 9.6697 k = 0.3935-0.4655 0.3017 ( 5144 PWs) bands (ev): -21.0969 -21.0969 -21.0918 -21.0918 -6.1451 -6.1451 -5.8791 -5.8791 -5.4404 -5.4404 -5.1658 -5.1658 -4.8335 -4.8335 -4.8079 -4.8079 -4.6031 -4.6031 -3.9812 -3.9812 1.1056 1.1056 1.6319 1.6319 2.8461 2.8461 3.2591 3.2591 3.7874 3.7874 3.9591 3.9591 4.5570 4.5570 4.9074 4.9074 5.5701 5.5701 5.9567 5.9567 8.5110 8.5110 9.4554 9.4554 9.5475 9.5475 9.6697 9.6697 k = 0.3991-0.4454 0.2959 ( 5140 PWs) bands (ev): -21.0971 -21.0971 -21.0916 -21.0916 -6.1416 -6.1416 -5.8767 -5.8767 -5.4409 -5.4409 -5.1643 -5.1643 -4.8343 -4.8343 -4.8087 -4.8087 -4.6068 -4.6068 -3.9892 -3.9892 1.1188 1.1188 1.6334 1.6334 2.8417 2.8417 3.2788 3.2788 3.7920 3.7920 3.9615 3.9615 4.5499 4.5499 4.8972 4.8972 5.5484 5.5484 5.9453 5.9453 8.5034 8.5034 9.4447 9.4447 9.5542 9.5542 9.6981 9.6981 k = 0.4047-0.4254 0.2901 ( 5131 PWs) bands (ev): -21.0973 -21.0973 -21.0915 -21.0915 -6.1369 -6.1369 -5.8742 -5.8742 -5.4416 -5.4416 -5.1627 -5.1627 -4.8357 -4.8357 -4.8095 -4.8095 -4.6108 -4.6108 -3.9982 -3.9982 1.1326 1.1326 1.6350 1.6350 2.8381 2.8381 3.2997 3.2997 3.7972 3.7972 3.9643 3.9643 4.5423 4.5423 4.8864 4.8864 5.5273 5.5273 5.9334 5.9334 8.4955 8.4955 9.4228 9.4228 9.5713 9.5713 9.7219 9.7219 k = 0.4103-0.4053 0.2843 ( 5125 PWs) bands (ev): -21.0975 -21.0975 -21.0912 -21.0912 -6.1312 -6.1312 -5.8717 -5.8717 -5.4426 -5.4426 -5.1612 -5.1612 -4.8376 -4.8376 -4.8104 -4.8104 -4.6149 -4.6149 -4.0081 -4.0081 1.1469 1.1469 1.6367 1.6367 2.8352 2.8352 3.3217 3.3217 3.8029 3.8029 3.9678 3.9678 4.5344 4.5344 4.8749 4.8749 5.5068 5.5068 5.9212 5.9212 8.4874 8.4874 9.3962 9.3962 9.5927 9.5927 9.7415 9.7415 k = 0.4159-0.3852 0.2785 ( 5120 PWs) bands (ev): -21.0978 -21.0978 -21.0910 -21.0910 -6.1246 -6.1246 -5.8693 -5.8693 -5.4437 -5.4437 -5.1597 -5.1597 -4.8401 -4.8401 -4.8114 -4.8114 -4.6189 -4.6189 -4.0187 -4.0187 1.1614 1.1614 1.6386 1.6386 2.8330 2.8330 3.3444 3.3444 3.8088 3.8088 3.9721 3.9721 4.5263 4.5263 4.8628 4.8628 5.4872 5.4872 5.9087 5.9087 8.4792 8.4792 9.3676 9.3676 9.6150 9.6150 9.7579 9.7579 k = 0.4216-0.3652 0.2727 ( 5118 PWs) bands (ev): -21.0980 -21.0980 -21.0908 -21.0908 -6.1170 -6.1170 -5.8670 -5.8670 -5.4451 -5.4451 -5.1583 -5.1583 -4.8429 -4.8429 -4.8126 -4.8126 -4.6227 -4.6227 -4.0298 -4.0298 1.1760 1.1760 1.6406 1.6406 2.8315 2.8315 3.3675 3.3675 3.8147 3.8147 3.9773 3.9773 4.5181 4.5181 4.8500 4.8500 5.4685 5.4685 5.8960 5.8960 8.4710 8.4710 9.3382 9.3382 9.6361 9.6361 9.7727 9.7727 k = 0.4272-0.3451 0.2669 ( 5122 PWs) bands (ev): -21.0983 -21.0983 -21.0905 -21.0905 -6.1086 -6.1086 -5.8651 -5.8651 -5.4465 -5.4465 -5.1571 -5.1571 -4.8458 -4.8458 -4.8138 -4.8138 -4.6262 -4.6262 -4.0415 -4.0415 1.1905 1.1905 1.6428 1.6428 2.8306 2.8306 3.3906 3.3906 3.8202 3.8202 3.9837 3.9837 4.5100 4.5100 4.8365 4.8365 5.4509 5.4509 5.8831 5.8831 8.4629 8.4629 9.3089 9.3089 9.6537 9.6537 9.7883 9.7883 k = 0.4328-0.3251 0.2611 ( 5131 PWs) bands (ev): -21.0985 -21.0985 -21.0903 -21.0903 -6.0995 -6.0995 -5.8635 -5.8635 -5.4481 -5.4481 -5.1561 -5.1561 -4.8488 -4.8488 -4.8153 -4.8153 -4.6294 -4.6294 -4.0533 -4.0533 1.2047 1.2047 1.6450 1.6450 2.8302 2.8302 3.4135 3.4135 3.8250 3.8250 3.9914 3.9914 4.5024 4.5024 4.8223 4.8223 5.4344 5.4344 5.8703 5.8703 8.4550 8.4550 9.2800 9.2800 9.6653 9.6653 9.8069 9.8069 k = 0.4384-0.3050 0.2553 ( 5135 PWs) bands (ev): -21.0988 -21.0988 -21.0900 -21.0900 -6.0898 -6.0898 -5.8623 -5.8623 -5.4498 -5.4498 -5.1554 -5.1554 -4.8516 -4.8516 -4.8169 -4.8169 -4.6322 -4.6322 -4.0653 -4.0653 1.2184 1.2184 1.6474 1.6474 2.8302 2.8302 3.4359 3.4359 3.8289 3.8289 4.0005 4.0005 4.4956 4.4956 4.8075 4.8075 5.4192 5.4192 5.8575 5.8575 8.4475 8.4475 9.2519 9.2519 9.6700 9.6700 9.8290 9.8290 k = 0.4440-0.2849 0.2496 ( 5130 PWs) bands (ev): -21.0990 -21.0990 -21.0898 -21.0898 -6.0796 -6.0796 -5.8616 -5.8616 -5.4515 -5.4515 -5.1551 -5.1551 -4.8542 -4.8542 -4.8188 -4.8188 -4.6345 -4.6345 -4.0772 -4.0772 1.2316 1.2316 1.6499 1.6499 2.8306 2.8306 3.4576 3.4576 3.8314 3.8314 4.0109 4.0109 4.4900 4.4900 4.7918 4.7918 5.4052 5.4052 5.8451 5.8451 8.4404 8.4404 9.2250 9.2250 9.6686 9.6686 9.8521 9.8521 k = 0.4496-0.2649 0.2438 ( 5136 PWs) bands (ev): -21.0992 -21.0992 -21.0896 -21.0896 -6.0691 -6.0691 -5.8616 -5.8616 -5.4533 -5.4533 -5.1550 -5.1550 -4.8562 -4.8562 -4.8209 -4.8209 -4.6365 -4.6365 -4.0888 -4.0888 1.2439 1.2439 1.6524 1.6524 2.8312 2.8312 3.4783 3.4783 3.8326 3.8326 4.0223 4.0223 4.4859 4.4859 4.7755 4.7755 5.3925 5.3925 5.8331 5.8331 8.4337 8.4337 9.1996 9.1996 9.6627 9.6627 9.8704 9.8704 k = 0.4552-0.2448 0.2380 ( 5134 PWs) bands (ev): -21.0994 -21.0994 -21.0894 -21.0894 -6.0584 -6.0584 -5.8621 -5.8621 -5.4550 -5.4550 -5.1553 -5.1553 -4.8577 -4.8577 -4.8232 -4.8232 -4.6381 -4.6381 -4.0999 -4.0999 1.2554 1.2554 1.6548 1.6548 2.8321 2.8321 3.4978 3.4978 3.8325 3.8325 4.0341 4.0341 4.4838 4.4838 4.7585 4.7585 5.3811 5.3811 5.8218 5.8218 8.4276 8.4276 9.1760 9.1760 9.6541 9.6541 9.8779 9.8779 k = 0.4608-0.2248 0.2322 ( 5135 PWs) bands (ev): -21.0996 -21.0996 -21.0892 -21.0892 -6.0477 -6.0477 -5.8632 -5.8632 -5.4566 -5.4566 -5.1558 -5.1558 -4.8585 -4.8585 -4.8257 -4.8257 -4.6394 -4.6394 -4.1103 -4.1103 1.2658 1.2658 1.6572 1.6572 2.8330 2.8330 3.5160 3.5160 3.8311 3.8311 4.0460 4.0460 4.4840 4.4840 4.7408 4.7408 5.3711 5.3711 5.8112 5.8112 8.4221 8.4221 9.1545 9.1545 9.6441 9.6441 9.8754 9.8754 k = 0.4664-0.2047 0.2264 ( 5132 PWs) bands (ev): -21.0997 -21.0997 -21.0891 -21.0891 -6.0374 -6.0374 -5.8649 -5.8649 -5.4581 -5.4581 -5.1565 -5.1565 -4.8586 -4.8586 -4.8284 -4.8284 -4.6404 -4.6404 -4.1198 -4.1198 1.2750 1.2750 1.6595 1.6595 2.8341 2.8341 3.5327 3.5327 3.8286 3.8286 4.0572 4.0572 4.4867 4.4867 4.7226 4.7226 5.3624 5.3624 5.8017 5.8017 8.4173 8.4173 9.1354 9.1354 9.6338 9.6338 9.8681 9.8681 k = 0.4720-0.1846 0.2206 ( 5129 PWs) bands (ev): -21.0999 -21.0999 -21.0889 -21.0889 -6.0276 -6.0276 -5.8670 -5.8670 -5.4595 -5.4595 -5.1573 -5.1573 -4.8580 -4.8580 -4.8313 -4.8313 -4.6412 -4.6412 -4.1282 -4.1282 1.2829 1.2829 1.6616 1.6616 2.8351 2.8351 3.5476 3.5476 3.8255 3.8255 4.0674 4.0674 4.4920 4.4920 4.7042 4.7042 5.3551 5.3551 5.7932 5.7932 8.4131 8.4131 9.1189 9.1189 9.6240 9.6240 9.8596 9.8596 k = 0.4776-0.1646 0.2148 ( 5131 PWs) bands (ev): -21.1000 -21.1000 -21.0888 -21.0888 -6.0188 -6.0188 -5.8693 -5.8693 -5.4607 -5.4607 -5.1582 -5.1582 -4.8568 -4.8568 -4.8344 -4.8344 -4.6417 -4.6417 -4.1353 -4.1353 1.2895 1.2895 1.6634 1.6634 2.8360 2.8360 3.5605 3.5605 3.8220 3.8220 4.0760 4.0760 4.4996 4.4996 4.6860 4.6860 5.3491 5.3491 5.7860 5.7860 8.4096 8.4096 9.1051 9.1051 9.6152 9.6152 9.8516 9.8516 k = 0.4832-0.1445 0.2090 ( 5127 PWs) bands (ev): -21.1001 -21.1001 -21.0888 -21.0888 -6.0112 -6.0112 -5.8717 -5.8717 -5.4616 -5.4616 -5.1590 -5.1590 -4.8550 -4.8550 -4.8375 -4.8375 -4.6421 -4.6421 -4.1411 -4.1411 1.2946 1.2946 1.6649 1.6649 2.8368 2.8368 3.5711 3.5711 3.8186 3.8186 4.0828 4.0828 4.5088 4.5088 4.6687 4.6687 5.3445 5.3445 5.7803 5.7803 8.4069 8.4069 9.0942 9.0942 9.6080 9.6080 9.8450 9.8450 k = 0.4888-0.1245 0.2032 ( 5129 PWs) bands (ev): -21.1001 -21.1001 -21.0887 -21.0887 -6.0054 -6.0054 -5.8738 -5.8738 -5.4623 -5.4623 -5.1596 -5.1596 -4.8527 -4.8527 -4.8407 -4.8407 -4.6424 -4.6424 -4.1453 -4.1453 1.2984 1.2984 1.6661 1.6661 2.8373 2.8373 3.5790 3.5790 3.8157 3.8157 4.0877 4.0877 4.5183 4.5183 4.6536 4.6536 5.3412 5.3412 5.7762 5.7762 8.4050 8.4050 9.0863 9.0863 9.6026 9.6026 9.8400 9.8400 k = 0.4944-0.1044 0.1974 ( 5124 PWs) bands (ev): -21.1002 -21.1002 -21.0887 -21.0887 -6.0017 -6.0017 -5.8752 -5.8752 -5.4628 -5.4628 -5.1600 -5.1600 -4.8500 -4.8500 -4.8439 -4.8439 -4.6425 -4.6425 -4.1478 -4.1478 1.3006 1.3006 1.6668 1.6668 2.8377 2.8377 3.5839 3.5839 3.8137 3.8137 4.0907 4.0907 4.5258 4.5258 4.6427 4.6427 5.3392 5.3392 5.7736 5.7736 8.4038 8.4038 9.0816 9.0816 9.5992 9.5992 9.8370 9.8370 k = 0.5000-0.0843 0.1916 ( 5124 PWs) bands (ev): -21.1002 -21.1002 -21.0886 -21.0886 -6.0004 -6.0004 -5.8757 -5.8757 -5.4629 -5.4629 -5.1601 -5.1601 -4.8471 -4.8471 -4.8471 -4.8471 -4.6426 -4.6426 -4.1487 -4.1487 1.3014 1.3014 1.6670 1.6670 2.8378 2.8378 3.5856 3.5856 3.8131 3.8131 4.0916 4.0916 4.5288 4.5288 4.6386 4.6386 5.3385 5.3385 5.7728 5.7728 8.4034 8.4034 9.0800 9.0800 9.5981 9.5981 9.8360 9.8360 k = 0.5000-0.0843 0.1916 ( 5124 PWs) bands (ev): -21.1002 -21.1002 -21.0886 -21.0886 -6.0004 -6.0004 -5.8757 -5.8757 -5.4629 -5.4629 -5.1601 -5.1601 -4.8471 -4.8471 -4.8471 -4.8471 -4.6426 -4.6426 -4.1487 -4.1487 1.3014 1.3014 1.6670 1.6670 2.8378 2.8378 3.5856 3.5856 3.8131 3.8131 4.0916 4.0916 4.5288 4.5288 4.6386 4.6386 5.3385 5.3385 5.7728 5.7728 8.4034 8.4034 9.0800 9.0800 9.5981 9.5981 9.8360 9.8360 k = 0.4938-0.0769 0.2112 ( 5124 PWs) bands (ev): -21.1002 -21.1002 -21.0886 -21.0886 -5.9999 -5.9999 -5.8757 -5.8757 -5.4627 -5.4627 -5.1600 -5.1600 -4.8495 -4.8495 -4.8455 -4.8455 -4.6425 -4.6425 -4.1486 -4.1486 1.3026 1.3026 1.6671 1.6671 2.8384 2.8384 3.5792 3.5792 3.8180 3.8180 4.0856 4.0856 4.5296 4.5296 4.6408 4.6408 5.3379 5.3379 5.7733 5.7733 8.3895 8.3895 9.0820 9.0820 9.6018 9.6018 9.8366 9.8366 k = 0.4875-0.0696 0.2308 ( 5128 PWs) bands (ev): -21.1000 -21.1000 -21.0885 -21.0885 -5.9984 -5.9984 -5.8756 -5.8756 -5.4620 -5.4620 -5.1597 -5.1597 -4.8528 -4.8528 -4.8448 -4.8448 -4.6423 -4.6423 -4.1483 -4.1483 1.3064 1.3064 1.6673 1.6673 2.8402 2.8402 3.5618 3.5618 3.8305 3.8305 4.0685 4.0685 4.5317 4.5317 4.6471 4.6471 5.3358 5.3358 5.7750 5.7750 8.3493 8.3493 9.0876 9.0876 9.6125 9.6125 9.8380 9.8380 k = 0.4813-0.0622 0.2503 ( 5138 PWs) bands (ev): -21.0998 -21.0998 -21.0883 -21.0883 -5.9958 -5.9958 -5.8756 -5.8756 -5.4609 -5.4609 -5.1591 -5.1591 -4.8569 -4.8569 -4.8450 -4.8450 -4.6420 -4.6420 -4.1479 -4.1479 1.3126 1.3126 1.6678 1.6678 2.8430 2.8430 3.5367 3.5367 3.8440 3.8440 4.0442 4.0442 4.5351 4.5351 4.6572 4.6572 5.3325 5.3325 5.7775 5.7775 8.2865 8.2865 9.0967 9.0967 9.6300 9.6300 9.8392 9.8392 k = 0.4750-0.0548 0.2699 ( 5138 PWs) bands (ev): -21.0995 -21.0995 -21.0880 -21.0880 -5.9923 -5.9923 -5.8755 -5.8755 -5.4593 -5.4593 -5.1584 -5.1584 -4.8618 -4.8618 -4.8461 -4.8461 -4.6415 -4.6415 -4.1473 -4.1473 1.3212 1.3212 1.6686 1.6686 2.8469 2.8469 3.5067 3.5067 3.8483 3.8483 4.0216 4.0216 4.5399 4.5399 4.6706 4.6706 5.3278 5.3278 5.7805 5.7805 8.2059 8.2059 9.1086 9.1086 9.6533 9.6533 9.8394 9.8394 k = 0.4688-0.0474 0.2894 ( 5144 PWs) bands (ev): -21.0991 -21.0991 -21.0876 -21.0876 -5.9880 -5.9880 -5.8754 -5.8754 -5.4572 -5.4572 -5.1574 -5.1574 -4.8675 -4.8675 -4.8480 -4.8480 -4.6407 -4.6407 -4.1466 -4.1466 1.3322 1.3322 1.6699 1.6699 2.8516 2.8516 3.4734 3.4734 3.8299 3.8299 4.0138 4.0138 4.5461 4.5461 4.6865 4.6865 5.3219 5.3219 5.7836 5.7836 8.1122 8.1122 9.1231 9.1231 9.6815 9.6815 9.8381 9.8381 k = 0.4625-0.0400 0.3090 ( 5148 PWs) bands (ev): -21.0987 -21.0987 -21.0872 -21.0872 -5.9828 -5.9828 -5.8753 -5.8753 -5.4546 -5.4546 -5.1563 -5.1563 -4.8738 -4.8738 -4.8508 -4.8508 -4.6395 -4.6395 -4.1458 -4.1458 1.3455 1.3455 1.6719 1.6719 2.8570 2.8570 3.4374 3.4374 3.7853 3.7853 4.0247 4.0247 4.5541 4.5541 4.7042 4.7042 5.3147 5.3147 5.7863 5.7863 8.0099 8.0099 9.1396 9.1396 9.7131 9.7131 9.8352 9.8352 k = 0.4562-0.0326 0.3286 ( 5134 PWs) bands (ev): -21.0981 -21.0981 -21.0866 -21.0866 -5.9770 -5.9770 -5.8752 -5.8752 -5.4514 -5.4514 -5.1550 -5.1550 -4.8808 -4.8808 -4.8544 -4.8544 -4.6380 -4.6380 -4.1450 -4.1450 1.3609 1.3609 1.6748 1.6748 2.8628 2.8628 3.3985 3.3985 3.7240 3.7240 4.0467 4.0467 4.5638 4.5638 4.7233 4.7233 5.3062 5.3062 5.7884 5.7884 7.9024 7.9024 9.1578 9.1578 9.7462 9.7462 9.8314 9.8314 k = 0.4500-0.0252 0.3481 ( 5126 PWs) bands (ev): -21.0975 -21.0975 -21.0860 -21.0860 -5.9706 -5.9706 -5.8750 -5.8750 -5.4476 -5.4476 -5.1535 -5.1535 -4.8883 -4.8883 -4.8588 -4.8588 -4.6361 -4.6361 -4.1441 -4.1441 1.3784 1.3784 1.6788 1.6788 2.8686 2.8686 3.3557 3.3557 3.6549 3.6549 4.0731 4.0731 4.5755 4.5755 4.7431 4.7431 5.2963 5.2963 5.7894 5.7894 7.7928 7.7928 9.1770 9.1770 9.7771 9.7771 9.8290 9.8290 k = 0.4437-0.0178 0.3677 ( 5130 PWs) bands (ev): -21.0968 -21.0968 -21.0854 -21.0854 -5.9638 -5.9638 -5.8750 -5.8750 -5.4431 -5.4431 -5.1519 -5.1519 -4.8962 -4.8962 -4.8639 -4.8639 -4.6336 -4.6336 -4.1434 -4.1434 1.3977 1.3977 1.6843 1.6843 2.8738 2.8738 3.3065 3.3065 3.5849 3.5849 4.1007 4.1007 4.5888 4.5888 4.7634 4.7634 5.2851 5.2851 5.7890 5.7890 7.6834 7.6834 9.1965 9.1965 9.7952 9.7952 9.8370 9.8370 k = 0.4375-0.0104 0.3872 ( 5128 PWs) bands (ev): -21.0961 -21.0961 -21.0846 -21.0846 -5.9567 -5.9567 -5.8749 -5.8749 -5.4380 -5.4380 -5.1501 -5.1501 -4.9044 -4.9044 -4.8696 -4.8696 -4.6306 -4.6306 -4.1427 -4.1427 1.4185 1.4185 1.6917 1.6917 2.8775 2.8775 3.2482 3.2482 3.5203 3.5203 4.1279 4.1279 4.6032 4.6032 4.7842 4.7842 5.2726 5.2726 5.7870 5.7870 7.5765 7.5765 9.2150 9.2150 9.7956 9.7956 9.8589 9.8589 k = 0.4313-0.0030 0.4068 ( 5134 PWs) bands (ev): -21.0953 -21.0953 -21.0838 -21.0838 -5.9496 -5.9496 -5.8748 -5.8748 -5.4321 -5.4321 -5.1482 -5.1482 -4.9129 -4.9129 -4.8758 -4.8758 -4.6270 -4.6270 -4.1421 -4.1421 1.4407 1.4407 1.7013 1.7013 2.8784 2.8784 3.1790 3.1790 3.4662 3.4662 4.1538 4.1538 4.6175 4.6175 4.8054 4.8054 5.2587 5.2587 5.7833 5.7833 7.4738 7.4738 9.2313 9.2313 9.7908 9.7908 9.8804 9.8804 k = 0.4250 0.0044 0.4264 ( 5136 PWs) bands (ev): -21.0944 -21.0944 -21.0830 -21.0830 -5.9426 -5.9426 -5.8747 -5.8747 -5.4255 -5.4255 -5.1463 -5.1463 -4.9216 -4.9216 -4.8825 -4.8825 -4.6227 -4.6227 -4.1417 -4.1417 1.4638 1.4638 1.7134 1.7134 2.8732 2.8732 3.1014 3.1014 3.4242 3.4242 4.1779 4.1779 4.6302 4.6302 4.8277 4.8277 5.2435 5.2435 5.7777 5.7777 7.3771 7.3771 9.2437 9.2437 9.7868 9.7868 9.8946 9.8946 k = 0.4188 0.0118 0.4459 ( 5138 PWs) bands (ev): -21.0935 -21.0935 -21.0821 -21.0821 -5.9360 -5.9360 -5.8747 -5.8747 -5.4180 -5.4180 -5.1443 -5.1443 -4.9302 -4.9302 -4.8895 -4.8895 -4.6178 -4.6178 -4.1414 -4.1414 1.4876 1.4876 1.7286 1.7286 2.8542 2.8542 3.0254 3.0254 3.3937 3.3937 4.2001 4.2001 4.6392 4.6392 4.8516 4.8516 5.2271 5.2271 5.7700 5.7700 7.2878 7.2878 9.2503 9.2503 9.7864 9.7864 9.8983 9.8983 k = 0.4125 0.0192 0.4655 ( 5130 PWs) bands (ev): -21.0925 -21.0925 -21.0812 -21.0812 -5.9299 -5.9299 -5.8746 -5.8746 -5.4097 -5.4097 -5.1423 -5.1423 -4.9388 -4.9388 -4.8966 -4.8966 -4.6122 -4.6122 -4.1414 -4.1414 1.5116 1.5116 1.7471 1.7471 2.8056 2.8056 2.9695 2.9695 3.3729 3.3729 4.2203 4.2203 4.6423 4.6423 4.8776 4.8776 5.2100 5.2100 5.7603 5.7603 7.2074 7.2074 9.2494 9.2494 9.7915 9.7915 9.8901 9.8901 k = 0.4062 0.0265 0.4850 ( 5134 PWs) bands (ev): -21.0915 -21.0915 -21.0802 -21.0802 -5.9244 -5.9244 -5.8745 -5.8745 -5.4005 -5.4005 -5.1402 -5.1402 -4.9472 -4.9472 -4.9038 -4.9038 -4.6059 -4.6059 -4.1416 -4.1416 1.5356 1.5356 1.7691 1.7691 2.7237 2.7237 2.9398 2.9398 3.3604 3.3604 4.2386 4.2386 4.6377 4.6377 4.9053 4.9053 5.1930 5.1930 5.7484 5.7484 7.1368 7.1368 9.2398 9.2398 9.8032 9.8032 9.8706 9.8706 k = 0.4000 0.0339 0.5046 ( 5128 PWs) bands (ev): -21.0905 -21.0905 -21.0792 -21.0792 -5.9199 -5.9199 -5.8743 -5.8743 -5.3905 -5.3905 -5.1382 -5.1382 -4.9554 -4.9554 -4.9109 -4.9109 -4.5989 -4.5989 -4.1420 -4.1420 1.5596 1.5596 1.7943 1.7943 2.6248 2.6248 2.9221 2.9221 3.3552 3.3552 4.2550 4.2550 4.6244 4.6244 4.9328 4.9328 5.1777 5.1777 5.7344 5.7344 7.0772 7.0772 9.2213 9.2213 9.8188 9.8188 9.8441 9.8441 k = 0.3937 0.0413 0.5242 ( 5128 PWs) bands (ev): -21.0894 -21.0894 -21.0781 -21.0781 -5.9163 -5.9163 -5.8742 -5.8742 -5.3798 -5.3798 -5.1361 -5.1361 -4.9633 -4.9633 -4.9177 -4.9177 -4.5912 -4.5912 -4.1427 -4.1427 1.5834 1.5834 1.8221 1.8221 2.5203 2.5203 2.9075 2.9075 3.3563 3.3563 4.2697 4.2697 4.6021 4.6021 4.9561 4.9561 5.1675 5.1675 5.7183 5.7183 7.0291 7.0291 9.1944 9.1944 9.7971 9.7971 9.8535 9.8535 k = 0.3875 0.0487 0.5437 ( 5132 PWs) bands (ev): -21.0883 -21.0883 -21.0771 -21.0771 -5.9138 -5.9138 -5.8740 -5.8740 -5.3684 -5.3684 -5.1341 -5.1341 -4.9708 -4.9708 -4.9242 -4.9242 -4.5828 -4.5828 -4.1436 -4.1436 1.6073 1.6073 1.8507 1.8507 2.4161 2.4161 2.8928 2.8928 3.3629 3.3629 4.2824 4.2824 4.5712 4.5712 4.9691 4.9691 5.1679 5.1679 5.7001 5.7001 6.9927 6.9927 9.1603 9.1603 9.7526 9.7526 9.8854 9.8854 k = 0.3812 0.0561 0.5633 ( 5138 PWs) bands (ev): -21.0872 -21.0872 -21.0760 -21.0760 -5.9122 -5.9122 -5.8740 -5.8740 -5.3564 -5.3564 -5.1321 -5.1321 -4.9779 -4.9779 -4.9301 -4.9301 -4.5737 -4.5737 -4.1447 -4.1447 1.6316 1.6316 1.8766 1.8766 2.3178 2.3178 2.8774 2.8774 3.3742 3.3742 4.2924 4.2924 4.5329 4.5329 4.9664 4.9664 5.1830 5.1830 5.6801 5.6801 6.9680 6.9680 9.1204 9.1204 9.7023 9.7023 9.9233 9.9233 k = 0.3750 0.0635 0.5828 ( 5132 PWs) bands (ev): -21.0861 -21.0861 -21.0749 -21.0749 -5.9116 -5.9116 -5.8742 -5.8742 -5.3441 -5.3441 -5.1301 -5.1301 -4.9845 -4.9845 -4.9354 -4.9354 -4.5638 -4.5638 -4.1461 -4.1461 1.6565 1.6565 1.8914 1.8914 2.2347 2.2347 2.8611 2.8611 3.3892 3.3892 4.2981 4.2981 4.4899 4.4899 4.9487 4.9487 5.2113 5.2113 5.6584 5.6584 6.9545 6.9545 9.0761 9.0761 9.6485 9.6485 9.9651 9.9651 k = 0.3688 0.0709 0.6024 ( 5132 PWs) bands (ev): -21.0850 -21.0850 -21.0738 -21.0738 -5.9119 -5.9119 -5.8747 -5.8747 -5.3316 -5.3316 -5.1282 -5.1282 -4.9905 -4.9905 -4.9401 -4.9401 -4.5533 -4.5533 -4.1477 -4.1477 1.6822 1.6822 1.8793 1.8793 2.1834 2.1834 2.8444 2.8444 3.4073 3.4073 4.2946 4.2946 4.4483 4.4483 4.9202 4.9202 5.2477 5.2477 5.6356 5.6356 6.9515 6.9515 9.0286 9.0286 9.5927 9.5927 10.0095 10.0095 k = 0.3625 0.0783 0.6220 ( 5136 PWs) bands (ev): -21.0839 -21.0839 -21.0728 -21.0728 -5.9128 -5.9128 -5.8756 -5.8756 -5.3192 -5.3192 -5.1263 -5.1263 -4.9959 -4.9959 -4.9440 -4.9440 -4.5420 -4.5420 -4.1495 -4.1495 1.7083 1.7083 1.8297 1.8297 2.1755 2.1755 2.8275 2.8275 3.4276 3.4276 4.2722 4.2722 4.4188 4.4188 4.8841 4.8841 5.2873 5.2873 5.6126 5.6126 6.9579 6.9579 8.9791 8.9791 9.5360 9.5360 10.0549 10.0549 k = 0.3563 0.0857 0.6415 ( 5138 PWs) bands (ev): -21.0828 -21.0828 -21.0717 -21.0717 -5.9143 -5.9143 -5.8769 -5.8769 -5.3069 -5.3069 -5.1245 -5.1245 -5.0005 -5.0005 -4.9471 -4.9471 -4.5302 -4.5302 -4.1515 -4.1515 1.7237 1.7237 1.7650 1.7650 2.1999 2.1999 2.8109 2.8109 3.4495 3.4495 4.2258 4.2258 4.4079 4.4079 4.8425 4.8425 5.3263 5.3263 5.5908 5.5908 6.9728 6.9728 8.9286 8.9286 9.4793 9.4793 10.0970 10.0970 k = 0.3500 0.0931 0.6611 ( 5136 PWs) bands (ev): -21.0818 -21.0818 -21.0707 -21.0707 -5.9162 -5.9162 -5.8787 -5.8787 -5.2952 -5.2952 -5.1229 -5.1229 -5.0042 -5.0042 -4.9495 -4.9495 -4.5177 -4.5177 -4.1536 -4.1536 1.6546 1.6546 1.7753 1.7753 2.2409 2.2409 2.7950 2.7950 3.4723 3.4723 4.1629 4.1629 4.4097 4.4097 4.7963 4.7963 5.3603 5.3603 5.5736 5.5736 6.9947 6.9947 8.8780 8.8780 9.4236 9.4236 10.0915 10.0915 k = 0.3438 0.1005 0.6806 ( 5130 PWs) bands (ev): -21.0807 -21.0807 -21.0696 -21.0696 -5.9185 -5.9185 -5.8809 -5.8809 -5.2841 -5.2841 -5.1215 -5.1215 -5.0069 -5.0069 -4.9513 -4.9513 -4.5048 -4.5048 -4.1558 -4.1558 1.5635 1.5635 1.8064 1.8064 2.2903 2.2903 2.7803 2.7803 3.4952 3.4952 4.0915 4.0915 4.4175 4.4175 4.7463 4.7463 5.3822 5.3822 5.5671 5.5671 7.0226 7.0226 8.8280 8.8280 9.3694 9.3694 10.0301 10.0301 k = 0.3375 0.1079 0.7002 ( 5134 PWs) bands (ev): -21.0797 -21.0797 -21.0687 -21.0687 -5.9212 -5.9212 -5.8834 -5.8834 -5.2737 -5.2737 -5.1205 -5.1205 -5.0085 -5.0085 -4.9524 -4.9524 -4.4914 -4.4914 -4.1581 -4.1581 1.4718 1.4718 1.8407 1.8407 2.3438 2.3438 2.7674 2.7674 3.5172 3.5172 4.0164 4.0164 4.4280 4.4280 4.6929 4.6929 5.3856 5.3856 5.5773 5.5773 7.0551 7.0551 8.7794 8.7794 9.3174 9.3174 9.9672 9.9672 k = 0.3312 0.1153 0.7198 ( 5140 PWs) bands (ev): -21.0787 -21.0787 -21.0677 -21.0677 -5.9240 -5.9240 -5.8863 -5.8863 -5.2644 -5.2644 -5.1199 -5.1199 -5.0089 -5.0089 -4.9530 -4.9530 -4.4777 -4.4777 -4.1604 -4.1604 1.3823 1.3823 1.8774 1.8774 2.3991 2.3991 2.7571 2.7571 3.5369 3.5369 3.9408 3.9408 4.4398 4.4398 4.6369 4.6369 5.3713 5.3713 5.6031 5.6031 7.0910 7.0910 8.7328 8.7328 9.2680 9.2680 9.9078 9.9078 k = 0.3250 0.1227 0.7393 ( 5136 PWs) bands (ev): -21.0778 -21.0778 -21.0668 -21.0668 -5.9270 -5.9270 -5.8893 -5.8893 -5.2559 -5.2559 -5.1197 -5.1197 -5.0080 -5.0080 -4.9532 -4.9532 -4.4638 -4.4638 -4.1627 -4.1627 1.2964 1.2964 1.9165 1.9165 2.4535 2.4535 2.7512 2.7512 3.5518 3.5518 3.8685 3.8685 4.4510 4.4510 4.5799 4.5799 5.3462 5.3462 5.6375 5.6375 7.1291 7.1291 8.6889 8.6889 9.2217 9.2217 9.8524 9.8524 k = 0.3187 0.1300 0.7589 ( 5140 PWs) bands (ev): -21.0769 -21.0769 -21.0660 -21.0660 -5.9300 -5.9300 -5.8925 -5.8925 -5.2485 -5.2485 -5.1200 -5.1200 -5.0061 -5.0061 -4.9530 -4.9530 -4.4499 -4.4499 -4.1650 -4.1650 1.2150 1.2150 1.9576 1.9576 2.5034 2.5034 2.7522 2.7522 3.5569 3.5569 3.8053 3.8053 4.4544 4.4544 4.5294 4.5294 5.3151 5.3151 5.6752 5.6752 7.1683 7.1683 8.6482 8.6482 9.1787 9.1787 9.8013 9.8013 k = 0.3125 0.1374 0.7784 ( 5134 PWs) bands (ev): -21.0761 -21.0761 -21.0652 -21.0652 -5.9331 -5.9331 -5.8957 -5.8957 -5.2420 -5.2420 -5.1207 -5.1207 -5.0033 -5.0033 -4.9525 -4.9525 -4.4362 -4.4362 -4.1672 -4.1672 1.1387 1.1387 2.0009 2.0009 2.5441 2.5441 2.7643 2.7643 3.5438 3.5438 3.7603 3.7603 4.4238 4.4238 4.5118 4.5118 5.2809 5.2809 5.7134 5.7134 7.2074 7.2074 8.6114 8.6114 9.1392 9.1392 9.7545 9.7545 k = 0.3063 0.1448 0.7980 ( 5130 PWs) bands (ev): -21.0754 -21.0754 -21.0644 -21.0644 -5.9361 -5.9361 -5.8989 -5.8989 -5.2364 -5.2364 -5.1218 -5.1218 -4.9998 -4.9998 -4.9519 -4.9519 -4.4228 -4.4228 -4.1692 -4.1692 1.0681 1.0681 2.0460 2.0460 2.5710 2.5710 2.7908 2.7908 3.5076 3.5076 3.7397 3.7397 4.3650 4.3650 4.5218 4.5218 5.2450 5.2450 5.7506 5.7506 7.2454 7.2454 8.5787 8.5787 9.1034 9.1034 9.7122 9.7122 k = 0.3000 0.1522 0.8176 ( 5134 PWs) bands (ev): -21.0747 -21.0747 -21.0638 -21.0638 -5.9390 -5.9390 -5.9020 -5.9020 -5.2316 -5.2316 -5.1232 -5.1232 -4.9959 -4.9959 -4.9511 -4.9511 -4.4101 -4.4101 -4.1712 -4.1712 1.0037 1.0037 2.0929 2.0929 2.5843 2.5843 2.8302 2.8302 3.4557 3.4557 3.7372 3.7372 4.2992 4.2992 4.5387 4.5387 5.2084 5.2084 5.7859 5.7859 7.2814 7.2814 8.5507 8.5507 9.0714 9.0714 9.6743 9.6743 k = 0.2938 0.1596 0.8371 ( 5130 PWs) bands (ev): -21.0740 -21.0740 -21.0632 -21.0632 -5.9417 -5.9417 -5.9048 -5.9048 -5.2275 -5.2275 -5.1246 -5.1246 -4.9919 -4.9919 -4.9503 -4.9503 -4.3982 -4.3982 -4.1729 -4.1729 0.9458 0.9458 2.1411 2.1411 2.5880 2.5880 2.8758 2.8758 3.4003 3.4003 3.7427 3.7427 4.2315 4.2315 4.5579 4.5579 5.1719 5.1719 5.8185 5.8185 7.3143 7.3143 8.5274 8.5274 9.0432 9.0432 9.6409 9.6409 k = 0.2875 0.1670 0.8567 ( 5126 PWs) bands (ev): -21.0735 -21.0735 -21.0626 -21.0626 -5.9442 -5.9442 -5.9074 -5.9074 -5.2241 -5.2241 -5.1261 -5.1261 -4.9879 -4.9879 -4.9495 -4.9495 -4.3873 -4.3873 -4.1745 -4.1745 0.8948 0.8948 2.1902 2.1902 2.5863 2.5863 2.9194 2.9194 3.3513 3.3513 3.7503 3.7503 4.1641 4.1641 4.5784 4.5784 5.1361 5.1361 5.8479 5.8479 7.3436 7.3436 8.5089 8.5089 9.0189 9.0189 9.6119 9.6119 k = 0.2812 0.1744 0.8762 ( 5132 PWs) bands (ev): -21.0730 -21.0730 -21.0622 -21.0622 -5.9464 -5.9464 -5.9097 -5.9097 -5.2213 -5.2213 -5.1275 -5.1275 -4.9843 -4.9843 -4.9487 -4.9487 -4.3777 -4.3777 -4.1758 -4.1758 0.8511 0.8511 2.2395 2.2395 2.5813 2.5813 2.9518 2.9518 3.3178 3.3178 3.7565 3.7565 4.0989 4.0989 4.5993 4.5993 5.1020 5.1020 5.8736 5.8736 7.3687 7.3687 8.4948 8.4948 8.9984 8.9984 9.5873 9.5873 k = 0.2750 0.1818 0.8958 ( 5128 PWs) bands (ev): -21.0726 -21.0726 -21.0618 -21.0618 -5.9482 -5.9482 -5.9117 -5.9117 -5.2191 -5.2191 -5.1288 -5.1288 -4.9810 -4.9810 -4.9480 -4.9480 -4.3695 -4.3695 -4.1769 -4.1769 0.8150 0.8150 2.2880 2.2880 2.5742 2.5742 2.9649 2.9649 3.3080 3.3080 3.7589 3.7589 4.0388 4.0388 4.6198 4.6198 5.0704 5.0704 5.8952 5.8952 7.3893 7.3893 8.4848 8.4848 8.9817 8.9817 9.5672 9.5672 k = 0.2687 0.1892 0.9154 ( 5128 PWs) bands (ev): -21.0723 -21.0723 -21.0615 -21.0615 -5.9497 -5.9497 -5.9132 -5.9132 -5.2174 -5.2174 -5.1299 -5.1299 -4.9784 -4.9784 -4.9475 -4.9475 -4.3630 -4.3630 -4.1777 -4.1777 0.7866 0.7866 2.3338 2.3338 2.5651 2.5651 2.9585 2.9585 3.3218 3.3218 3.7553 3.7553 3.9878 3.9878 4.6385 4.6385 5.0428 5.0428 5.9124 5.9124 7.4052 7.4052 8.4781 8.4781 8.9688 8.9688 9.5516 9.5516 k = 0.2625 0.1966 0.9349 ( 5126 PWs) bands (ev): -21.0721 -21.0721 -21.0613 -21.0613 -5.9508 -5.9508 -5.9143 -5.9143 -5.2162 -5.2162 -5.1306 -5.1306 -4.9765 -4.9765 -4.9471 -4.9471 -4.3582 -4.3582 -4.1783 -4.1783 0.7662 0.7662 2.3743 2.3743 2.5545 2.5545 2.9423 2.9423 3.3484 3.3484 3.7452 3.7452 3.9503 3.9503 4.6541 4.6541 5.0209 5.0209 5.9249 5.9249 7.4165 7.4165 8.4740 8.4740 8.9596 8.9596 9.5404 9.5404 k = 0.2562 0.2040 0.9545 ( 5130 PWs) bands (ev): -21.0720 -21.0720 -21.0612 -21.0612 -5.9515 -5.9515 -5.9150 -5.9150 -5.2154 -5.2154 -5.1311 -5.1311 -4.9753 -4.9753 -4.9469 -4.9469 -4.3553 -4.3553 -4.1787 -4.1787 0.7539 0.7539 2.4045 2.4045 2.5442 2.5442 2.9275 2.9275 3.3732 3.3732 3.7326 3.7326 3.9286 3.9286 4.6646 4.6646 5.0065 5.0065 5.9325 5.9325 7.4232 7.4232 8.4719 8.4719 8.9541 8.9541 9.5337 9.5337 k = 0.2500 0.2114 0.9740 ( 5128 PWs) bands (ev): -21.0720 -21.0720 -21.0611 -21.0611 -5.9517 -5.9517 -5.9152 -5.9152 -5.2152 -5.2152 -5.1313 -5.1313 -4.9748 -4.9748 -4.9468 -4.9468 -4.3544 -4.3544 -4.1788 -4.1788 0.7498 0.7498 2.4164 2.4164 2.5394 2.5394 2.9217 2.9217 3.3833 3.3833 3.7266 3.7266 3.9217 3.9217 4.6683 4.6683 5.0015 5.0015 5.9351 5.9351 7.4255 7.4255 8.4713 8.4713 8.9522 8.9522 9.5315 9.5315 k = 0.1787-0.2114 0.9740 ( 5149 PWs) bands (ev): -21.0726 -21.0726 -21.0631 -21.0631 -5.9660 -5.9660 -5.9058 -5.9058 -5.2769 -5.2769 -5.1315 -5.1315 -4.9697 -4.9697 -4.9038 -4.9038 -4.3354 -4.3354 -4.1880 -4.1880 0.8597 0.8597 2.2837 2.2837 2.5793 2.5793 2.8131 2.8131 3.3621 3.3621 3.7767 3.7767 4.0973 4.0973 4.6066 4.6066 5.0206 5.0206 5.8114 5.8114 7.8571 7.8571 8.4073 8.4073 8.5015 8.5015 10.1398 10.1398 k = 0.1850-0.2188 0.9543 ( 5148 PWs) bands (ev): -21.0730 -21.0730 -21.0638 -21.0638 -5.9664 -5.9664 -5.9031 -5.9031 -5.2853 -5.2853 -5.1306 -5.1306 -4.9701 -4.9701 -4.9072 -4.9072 -4.3396 -4.3396 -4.1813 -4.1813 0.9102 0.9102 2.2309 2.2309 2.5657 2.5657 2.7678 2.7678 3.4293 3.4293 3.7778 3.7778 4.1511 4.1511 4.5856 4.5856 5.0589 5.0589 5.7636 5.7636 7.8155 7.8155 8.4557 8.4557 8.5286 8.5286 10.1168 10.1168 k = 0.1913-0.2263 0.9345 ( 5143 PWs) bands (ev): -21.0735 -21.0735 -21.0645 -21.0645 -5.9668 -5.9668 -5.9003 -5.9003 -5.2939 -5.2939 -5.1298 -5.1298 -4.9705 -4.9705 -4.9105 -4.9105 -4.3458 -4.3458 -4.1742 -4.1742 0.9677 0.9677 2.1782 2.1782 2.5430 2.5430 2.7294 2.7294 3.4922 3.4922 3.7844 3.7844 4.2078 4.2078 4.5652 4.5652 5.0995 5.0995 5.7131 5.7131 7.7697 7.7697 8.5068 8.5068 8.5644 8.5644 10.0965 10.0965 k = 0.1977-0.2338 0.9147 ( 5145 PWs) bands (ev): -21.0740 -21.0740 -21.0652 -21.0652 -5.9671 -5.9671 -5.8973 -5.8973 -5.3027 -5.3027 -5.1291 -5.1291 -4.9707 -4.9707 -4.9133 -4.9133 -4.3536 -4.3536 -4.1666 -4.1666 1.0321 1.0321 2.1263 2.1263 2.5073 2.5073 2.7037 2.7037 3.5417 3.5417 3.8039 3.8039 4.2662 4.2662 4.5461 4.5461 5.1415 5.1415 5.6607 5.6607 7.7207 7.7207 8.5577 8.5577 8.6109 8.6109 10.0789 10.0789 k = 0.2040-0.2413 0.8949 ( 5141 PWs) bands (ev): -21.0746 -21.0746 -21.0661 -21.0661 -5.9676 -5.9676 -5.8943 -5.8943 -5.3116 -5.3116 -5.1285 -5.1285 -4.9708 -4.9708 -4.9158 -4.9158 -4.3630 -4.3630 -4.1586 -4.1586 1.1028 1.1028 2.0756 2.0756 2.4599 2.4599 2.6908 2.6908 3.5701 3.5701 3.8437 3.8437 4.3248 4.3248 4.5291 4.5291 5.1839 5.1839 5.6074 5.6074 7.6694 7.6694 8.6077 8.6077 8.6684 8.6684 10.0637 10.0637 k = 0.2103-0.2487 0.8752 ( 5143 PWs) bands (ev): -21.0753 -21.0753 -21.0670 -21.0670 -5.9683 -5.9683 -5.8912 -5.8912 -5.3207 -5.3207 -5.1281 -5.1281 -4.9706 -4.9706 -4.9178 -4.9178 -4.3735 -4.3735 -4.1503 -4.1503 1.1792 1.1792 2.0262 2.0262 2.4052 2.4052 2.6869 2.6869 3.5774 3.5774 3.9025 3.9025 4.3816 4.3816 4.5160 4.5160 5.2258 5.2258 5.5542 5.5542 7.6168 7.6168 8.6586 8.6586 8.7342 8.7342 10.0509 10.0509 k = 0.2166-0.2562 0.8554 ( 5143 PWs) bands (ev): -21.0761 -21.0761 -21.0680 -21.0680 -5.9692 -5.9692 -5.8882 -5.8882 -5.3298 -5.3298 -5.1280 -5.1280 -4.9699 -4.9699 -4.9192 -4.9192 -4.3851 -4.3851 -4.1417 -4.1417 1.2607 1.2607 1.9784 1.9784 2.3476 2.3476 2.6886 2.6886 3.5707 3.5707 3.9724 3.9724 4.4298 4.4298 4.5138 4.5138 5.2653 5.2653 5.5034 5.5034 7.5636 7.5636 8.7124 8.7124 8.8055 8.8055 10.0402 10.0402 k = 0.2229-0.2637 0.8356 ( 5145 PWs) bands (ev): -21.0769 -21.0769 -21.0690 -21.0690 -5.9706 -5.9706 -5.8854 -5.8854 -5.3389 -5.3389 -5.1281 -5.1281 -4.9688 -4.9688 -4.9201 -4.9201 -4.3974 -4.3974 -4.1329 -4.1329 1.3465 1.3465 1.9321 1.9321 2.2900 2.2900 2.6940 2.6940 3.5559 3.5559 4.0459 4.0459 4.4511 4.4511 4.5412 4.5412 5.2971 5.2971 5.4603 5.4603 7.5110 7.5110 8.7700 8.7700 8.8810 8.8810 10.0315 10.0315 k = 0.2292-0.2712 0.8158 ( 5142 PWs) bands (ev): -21.0777 -21.0777 -21.0700 -21.0700 -5.9725 -5.9725 -5.8827 -5.8827 -5.3479 -5.3479 -5.1286 -5.1286 -4.9670 -4.9670 -4.9203 -4.9203 -4.4102 -4.4102 -4.1239 -4.1239 1.4355 1.4355 1.8874 1.8874 2.2345 2.2345 2.7018 2.7018 3.5365 3.5365 4.1174 4.1174 4.4516 4.4516 4.5935 4.5935 5.3069 5.3069 5.4395 5.4395 7.4598 7.4598 8.8315 8.8315 8.9596 8.9596 10.0248 10.0248 k = 0.2356-0.2786 0.7961 ( 5133 PWs) bands (ev): -21.0786 -21.0786 -21.0711 -21.0711 -5.9749 -5.9749 -5.8802 -5.8802 -5.3567 -5.3567 -5.1293 -5.1293 -4.9647 -4.9647 -4.9198 -4.9198 -4.4233 -4.4233 -4.1149 -4.1149 1.5256 1.5256 1.8446 1.8446 2.1832 2.1832 2.7114 2.7114 3.5146 3.5146 4.1813 4.1813 4.4510 4.4510 4.6537 4.6537 5.2830 5.2830 5.4530 5.4530 7.4110 7.4110 8.8968 8.8968 9.0407 9.0407 10.0201 10.0201 k = 0.2419-0.2861 0.7763 ( 5137 PWs) bands (ev): -21.0796 -21.0796 -21.0722 -21.0722 -5.9781 -5.9781 -5.8780 -5.8780 -5.3651 -5.3651 -5.1303 -5.1303 -4.9617 -4.9617 -4.9186 -4.9186 -4.4365 -4.4365 -4.1058 -4.1058 1.6128 1.6128 1.8049 1.8049 2.1391 2.1391 2.7224 2.7224 3.4913 3.4913 4.2311 4.2311 4.4585 4.4585 4.7170 4.7170 5.2418 5.2418 5.4851 5.4851 7.3656 7.3656 8.9654 8.9654 9.1239 9.1239 10.0174 10.0174 k = 0.2482-0.2936 0.7565 ( 5139 PWs) bands (ev): -21.0805 -21.0805 -21.0734 -21.0734 -5.9821 -5.9821 -5.8761 -5.8761 -5.3733 -5.3733 -5.1316 -5.1316 -4.9580 -4.9580 -4.9167 -4.9167 -4.4497 -4.4497 -4.0968 -4.0968 1.6827 1.6827 1.7771 1.7771 2.1077 2.1077 2.7344 2.7344 3.4675 3.4675 4.2610 4.2610 4.4792 4.4792 4.7817 4.7817 5.1968 5.1968 5.5228 5.5228 7.3249 7.3249 9.0367 9.0367 9.2087 9.2087 10.0169 10.0169 k = 0.2545-0.3010 0.7367 ( 5135 PWs) bands (ev): -21.0815 -21.0815 -21.0745 -21.0745 -5.9868 -5.9868 -5.8744 -5.8744 -5.3809 -5.3809 -5.1332 -5.1332 -4.9537 -4.9537 -4.9141 -4.9141 -4.4627 -4.4627 -4.0879 -4.0879 1.6905 1.6905 1.7949 1.7949 2.0998 2.0998 2.7473 2.7473 3.4439 3.4439 4.2711 4.2711 4.5123 4.5123 4.8457 4.8457 5.1538 5.1538 5.5619 5.5619 7.2900 7.2900 9.1097 9.1097 9.2945 9.2945 10.0190 10.0190 k = 0.2608-0.3085 0.7170 ( 5133 PWs) bands (ev): -21.0826 -21.0826 -21.0757 -21.0757 -5.9924 -5.9924 -5.8731 -5.8731 -5.3881 -5.3881 -5.1350 -5.1350 -4.9489 -4.9489 -4.9106 -4.9106 -4.4753 -4.4753 -4.0792 -4.0792 1.6577 1.6577 1.8217 1.8217 2.1301 2.1301 2.7607 2.7607 3.4209 3.4209 4.2674 4.2674 4.5513 4.5513 4.9039 4.9039 5.1187 5.1187 5.6009 5.6009 7.2622 7.2622 9.1833 9.1833 9.3808 9.3808 10.0243 10.0243 k = 0.2672-0.3160 0.6972 ( 5137 PWs) bands (ev): -21.0836 -21.0836 -21.0769 -21.0769 -5.9989 -5.9989 -5.8721 -5.8721 -5.3947 -5.3947 -5.1369 -5.1369 -4.9435 -4.9435 -4.9065 -4.9065 -4.4876 -4.4876 -4.0707 -4.0707 1.6184 1.6184 1.8230 1.8230 2.1985 2.1985 2.7746 2.7746 3.3993 3.3993 4.2556 4.2556 4.5906 4.5906 4.9430 4.9430 5.1042 5.1042 5.6391 5.6391 7.2428 7.2428 9.2560 9.2560 9.4671 9.4671 10.0333 10.0333 k = 0.2735-0.3235 0.6774 ( 5134 PWs) bands (ev): -21.0846 -21.0846 -21.0781 -21.0781 -6.0062 -6.0062 -5.8714 -5.8714 -5.4008 -5.4008 -5.1389 -5.1389 -4.9376 -4.9376 -4.9016 -4.9016 -4.4994 -4.4994 -4.0624 -4.0624 1.5776 1.5776 1.8084 1.8084 2.2895 2.2895 2.7886 2.7886 3.3794 3.3794 4.2387 4.2387 4.6273 4.6273 4.9461 4.9461 5.1265 5.1265 5.6759 5.6759 7.2333 7.2333 9.3256 9.3256 9.5528 9.5528 10.0471 10.0471 k = 0.2798-0.3309 0.6576 ( 5134 PWs) bands (ev): -21.0856 -21.0856 -21.0793 -21.0793 -6.0142 -6.0142 -5.8710 -5.8710 -5.4063 -5.4063 -5.1410 -5.1410 -4.9314 -4.9314 -4.8961 -4.8961 -4.5106 -4.5106 -4.0544 -4.0544 1.5365 1.5365 1.7883 1.7883 2.3909 2.3909 2.8027 2.8027 3.3620 3.3620 4.2184 4.2184 4.6600 4.6600 4.9242 4.9242 5.1732 5.1732 5.7111 5.7111 7.2349 7.2349 9.3900 9.3900 9.6373 9.6373 10.0663 10.0663 k = 0.2861-0.3384 0.6379 ( 5136 PWs) bands (ev): -21.0867 -21.0867 -21.0804 -21.0804 -6.0230 -6.0230 -5.8708 -5.8708 -5.4112 -5.4112 -5.1432 -5.1432 -4.9248 -4.9248 -4.8901 -4.8901 -4.5213 -4.5213 -4.0468 -4.0468 1.4958 1.4958 1.7672 1.7672 2.4962 2.4962 2.8168 2.8168 3.3478 3.3478 4.1955 4.1955 4.6880 4.6880 4.8956 4.8956 5.2255 5.2255 5.7442 5.7442 7.2488 7.2488 9.4467 9.4467 9.7198 9.7198 10.0911 10.0911 k = 0.2924-0.3459 0.6181 ( 5142 PWs) bands (ev): -21.0877 -21.0877 -21.0815 -21.0815 -6.0323 -6.0323 -5.8708 -5.8708 -5.4156 -5.4156 -5.1454 -5.1454 -4.9179 -4.9179 -4.8836 -4.8836 -4.5313 -4.5313 -4.0394 -4.0394 1.4558 1.4558 1.7471 1.7471 2.6012 2.6012 2.8311 2.8311 3.3378 3.3378 4.1707 4.1707 4.7102 4.7102 4.8681 4.8681 5.2757 5.2757 5.7752 5.7752 7.2759 7.2759 9.4937 9.4937 9.7997 9.7997 10.1190 10.1190 k = 0.2988-0.3534 0.5983 ( 5147 PWs) bands (ev): -21.0886 -21.0886 -21.0826 -21.0826 -6.0420 -6.0420 -5.8710 -5.8710 -5.4194 -5.4194 -5.1475 -5.1475 -4.9109 -4.9109 -4.8767 -4.8767 -4.5407 -4.5407 -4.0325 -4.0325 1.4170 1.4170 1.7287 1.7287 2.7013 2.7013 2.8473 2.8473 3.3333 3.3333 4.1442 4.1442 4.7245 4.7245 4.8464 4.8464 5.3211 5.3211 5.8036 5.8036 7.3165 7.3165 9.5297 9.5297 9.8762 9.8762 10.1410 10.1410 k = 0.3051-0.3608 0.5785 ( 5143 PWs) bands (ev): -21.0896 -21.0896 -21.0837 -21.0837 -6.0520 -6.0520 -5.8714 -5.8714 -5.4228 -5.4228 -5.1496 -5.1496 -4.9037 -4.9037 -4.8696 -4.8696 -4.5493 -4.5493 -4.0260 -4.0260 1.3796 1.3796 1.7124 1.7124 2.7852 2.7852 2.8733 2.8733 3.3361 3.3361 4.1164 4.1164 4.7276 4.7276 4.8346 4.8346 5.3606 5.3606 5.8294 5.8294 7.3706 7.3706 9.5551 9.5551 9.9479 9.9479 10.1286 10.1286 k = 0.3114-0.3683 0.5588 ( 5141 PWs) bands (ev): -21.0905 -21.0905 -21.0847 -21.0847 -6.0622 -6.0622 -5.8719 -5.8719 -5.4258 -5.4258 -5.1516 -5.1516 -4.8964 -4.8964 -4.8625 -4.8625 -4.5574 -4.5574 -4.0198 -4.0198 1.3439 1.3439 1.6980 1.6980 2.8293 2.8293 2.9291 2.9291 3.3487 3.3487 4.0878 4.0878 4.7189 4.7189 4.8341 4.8341 5.3942 5.3942 5.8524 5.8524 7.4375 7.4375 9.5708 9.5708 10.0112 10.0112 10.0845 10.0845 k = 0.3177-0.3758 0.5390 ( 5135 PWs) bands (ev): -21.0914 -21.0914 -21.0857 -21.0857 -6.0723 -6.0723 -5.8725 -5.8725 -5.4284 -5.4284 -5.1535 -5.1535 -4.8891 -4.8891 -4.8554 -4.8554 -4.5647 -4.5647 -4.0141 -4.0141 1.3102 1.3102 1.6855 1.6855 2.8455 2.8455 2.9986 2.9986 3.3743 3.3743 4.0586 4.0586 4.7028 4.7028 4.8408 4.8408 5.4224 5.4224 5.8727 5.8727 7.5159 7.5159 9.5785 9.5785 10.0231 10.0231 10.0713 10.0713 k = 0.3240-0.3833 0.5192 ( 5136 PWs) bands (ev): -21.0922 -21.0922 -21.0866 -21.0866 -6.0823 -6.0823 -5.8732 -5.8732 -5.4306 -5.4306 -5.1554 -5.1554 -4.8818 -4.8818 -4.8485 -4.8485 -4.5713 -4.5713 -4.0088 -4.0088 1.2787 1.2787 1.6748 1.6748 2.8532 2.8532 3.0589 3.0589 3.4151 3.4151 4.0293 4.0293 4.6840 4.6840 4.8501 4.8501 5.4459 5.4459 5.8905 5.8905 7.6045 7.6045 9.5799 9.5799 9.9743 9.9743 10.0782 10.0782 k = 0.3303-0.3907 0.4994 ( 5134 PWs) bands (ev): -21.0930 -21.0930 -21.0875 -21.0875 -6.0920 -6.0920 -5.8740 -5.8740 -5.4325 -5.4325 -5.1571 -5.1571 -4.8748 -4.8748 -4.8419 -4.8419 -4.5772 -4.5772 -4.0040 -4.0040 1.2495 1.2495 1.6657 1.6657 2.8571 2.8571 3.1051 3.1051 3.4700 3.4700 4.0004 4.0004 4.6649 4.6649 4.8598 4.8598 5.4657 5.4657 5.9057 5.9057 7.7012 7.7012 9.5765 9.5765 9.9246 9.9246 10.0342 10.0342 k = 0.3367-0.3982 0.4797 ( 5133 PWs) bands (ev): -21.0937 -21.0937 -21.0883 -21.0883 -6.1011 -6.1011 -5.8748 -5.8748 -5.4342 -5.4342 -5.1586 -5.1586 -4.8680 -4.8680 -4.8357 -4.8357 -4.5825 -4.5825 -3.9997 -3.9997 1.2227 1.2227 1.6580 1.6580 2.8587 2.8587 3.1393 3.1393 3.5343 3.5343 3.9725 3.9725 4.6466 4.6466 4.8690 4.8690 5.4827 5.4827 5.9186 5.9186 7.8041 7.8041 9.5694 9.5694 9.8772 9.8772 9.9680 9.9680 k = 0.3430-0.4057 0.4599 ( 5131 PWs) bands (ev): -21.0944 -21.0944 -21.0890 -21.0890 -6.1097 -6.1097 -5.8755 -5.8755 -5.4356 -5.4356 -5.1601 -5.1601 -4.8615 -4.8615 -4.8300 -4.8300 -4.5871 -4.5871 -3.9958 -3.9958 1.1985 1.1985 1.6516 1.6516 2.8587 2.8587 3.1655 3.1655 3.6018 3.6018 3.9461 3.9461 4.6294 4.6294 4.8773 4.8773 5.4978 5.4978 5.9292 5.9292 7.9106 7.9106 9.5596 9.5596 9.8326 9.8326 9.8963 9.8963 k = 0.3493-0.4132 0.4401 ( 5129 PWs) bands (ev): -21.0950 -21.0950 -21.0896 -21.0896 -6.1176 -6.1176 -5.8763 -5.8763 -5.4368 -5.4368 -5.1614 -5.1614 -4.8555 -4.8555 -4.8249 -4.8249 -4.5910 -4.5910 -3.9923 -3.9923 1.1770 1.1770 1.6464 1.6464 2.8574 2.8574 3.1867 3.1867 3.6670 3.6670 3.9226 3.9226 4.6138 4.6138 4.8846 4.8846 5.5116 5.5116 5.9377 5.9377 8.0184 8.0184 9.5478 9.5478 9.7886 9.7886 9.8280 9.8280 k = 0.3556-0.4206 0.4203 ( 5135 PWs) bands (ev): -21.0955 -21.0955 -21.0902 -21.0902 -6.1246 -6.1246 -5.8770 -5.8770 -5.4378 -5.4378 -5.1625 -5.1625 -4.8501 -4.8501 -4.8204 -4.8204 -4.5944 -4.5944 -3.9894 -3.9894 1.1582 1.1582 1.6422 1.6422 2.8555 2.8555 3.2047 3.2047 3.7250 3.7250 3.9038 3.9038 4.5997 4.5997 4.8908 4.8908 5.5244 5.5244 5.9443 5.9443 8.1244 8.1244 9.5346 9.5346 9.7374 9.7374 9.7757 9.7757 k = 0.3619-0.4281 0.4006 ( 5139 PWs) bands (ev): -21.0959 -21.0959 -21.0907 -21.0907 -6.1307 -6.1307 -5.8776 -5.8776 -5.4386 -5.4386 -5.1635 -5.1635 -4.8453 -4.8453 -4.8165 -4.8165 -4.5971 -4.5971 -3.9869 -3.9869 1.1422 1.1422 1.6388 1.6388 2.8533 2.8533 3.2203 3.2203 3.7695 3.7695 3.8941 3.8941 4.5873 4.5873 4.8960 4.8960 5.5364 5.5364 5.9492 5.9492 8.2255 8.2255 9.5201 9.5201 9.6808 9.6808 9.7409 9.7409 k = 0.3683-0.4356 0.3808 ( 5143 PWs) bands (ev): -21.0963 -21.0963 -21.0911 -21.0911 -6.1358 -6.1358 -5.8781 -5.8781 -5.4393 -5.4393 -5.1643 -5.1643 -4.8412 -4.8412 -4.8134 -4.8134 -4.5993 -4.5993 -3.9848 -3.9848 1.1291 1.1291 1.6362 1.6362 2.8510 2.8510 3.2335 3.2335 3.7927 3.7927 3.9003 3.9003 4.5768 4.5768 4.9001 4.9001 5.5472 5.5472 5.9525 5.9525 8.3178 8.3178 9.5043 9.5043 9.6307 9.6307 9.7148 9.7148 k = 0.3746-0.4431 0.3610 ( 5141 PWs) bands (ev): -21.0966 -21.0966 -21.0914 -21.0914 -6.1398 -6.1398 -5.8786 -5.8786 -5.4398 -5.4398 -5.1649 -5.1649 -4.8379 -4.8379 -4.8110 -4.8110 -4.6010 -4.6010 -3.9832 -3.9832 1.1188 1.1188 1.6343 1.6343 2.8490 2.8490 3.2443 3.2443 3.7965 3.7965 3.9198 3.9198 4.5684 4.5684 4.9033 4.9033 5.5566 5.5566 5.9547 5.9547 8.3970 8.3970 9.4876 9.4876 9.5922 9.5922 9.6950 9.6950 k = 0.3809-0.4505 0.3412 ( 5139 PWs) bands (ev): -21.0968 -21.0968 -21.0916 -21.0916 -6.1428 -6.1428 -5.8789 -5.8789 -5.4401 -5.4401 -5.1654 -5.1654 -4.8355 -4.8355 -4.8092 -4.8092 -4.6021 -4.6021 -3.9821 -3.9821 1.1115 1.1115 1.6330 1.6330 2.8475 2.8475 3.2524 3.2524 3.7928 3.7928 3.9402 3.9402 4.5621 4.5621 4.9056 4.9056 5.5639 5.5639 5.9559 5.9559 8.4584 8.4584 9.4716 9.4716 9.5663 9.5663 9.6809 9.6809 k = 0.3872-0.4580 0.3214 ( 5140 PWs) bands (ev): -21.0969 -21.0969 -21.0918 -21.0918 -6.1445 -6.1445 -5.8791 -5.8791 -5.4404 -5.4404 -5.1657 -5.1657 -4.8340 -4.8340 -4.8082 -4.8082 -4.6028 -4.6028 -3.9814 -3.9814 1.1070 1.1070 1.6322 1.6322 2.8465 2.8465 3.2574 3.2574 3.7889 3.7889 3.9542 3.9542 4.5583 4.5583 4.9069 4.9069 5.5685 5.5685 5.9565 5.9565 8.4975 8.4975 9.4597 9.4597 9.5520 9.5520 9.6725 9.6725 k = 0.3935-0.4655 0.3017 ( 5144 PWs) bands (ev): -21.0969 -21.0969 -21.0918 -21.0918 -6.1451 -6.1451 -5.8791 -5.8791 -5.4404 -5.4404 -5.1658 -5.1658 -4.8335 -4.8335 -4.8079 -4.8079 -4.6031 -4.6031 -3.9812 -3.9812 1.1056 1.1056 1.6319 1.6319 2.8461 2.8461 3.2591 3.2591 3.7874 3.7874 3.9591 3.9591 4.5570 4.5570 4.9074 4.9074 5.5701 5.5701 5.9567 5.9567 8.5110 8.5110 9.4554 9.4554 9.5475 9.5475 9.6697 9.6697 k = 0.6065 0.2968 0.0816 ( 5144 PWs) bands (ev): -21.0969 -21.0969 -21.0918 -21.0918 -6.1451 -6.1451 -5.8791 -5.8791 -5.4404 -5.4404 -5.1658 -5.1658 -4.8335 -4.8335 -4.8079 -4.8079 -4.6031 -4.6031 -3.9812 -3.9812 1.1056 1.1056 1.6319 1.6319 2.8461 2.8461 3.2591 3.2591 3.7874 3.7874 3.9591 3.9591 4.5570 4.5570 4.9074 4.9074 5.5701 5.5701 5.9567 5.9567 8.5110 8.5110 9.4554 9.4554 9.5475 9.5475 9.6697 9.6697 k = 0.5946 0.3108 0.0725 ( 5152 PWs) bands (ev): -21.0968 -21.0968 -21.0920 -21.0920 -6.1495 -6.1495 -5.8827 -5.8827 -5.4399 -5.4399 -5.1679 -5.1679 -4.8329 -4.8329 -4.8066 -4.8066 -4.5977 -4.5977 -3.9699 -3.9699 1.0859 1.0859 1.6299 1.6299 2.8542 2.8542 3.2300 3.2300 3.7811 3.7811 3.9561 3.9561 4.5668 4.5668 4.9220 4.9220 5.6048 5.6048 5.9738 5.9738 8.5223 8.5223 9.4410 9.4410 9.5664 9.5664 9.6224 9.6224 k = 0.5828 0.3248 0.0635 ( 5158 PWs) bands (ev): -21.0966 -21.0966 -21.0921 -21.0921 -6.1533 -6.1533 -5.8861 -5.8861 -5.4394 -5.4394 -5.1699 -5.1699 -4.8324 -4.8324 -4.8055 -4.8055 -4.5928 -4.5928 -3.9596 -3.9596 1.0675 1.0675 1.6281 1.6281 2.8633 2.8633 3.2019 3.2019 3.7756 3.7756 3.9536 3.9536 4.5748 4.5748 4.9349 4.9349 5.6395 5.6395 5.9897 5.9897 8.5330 8.5330 9.4081 9.4081 9.5774 9.5774 9.6042 9.6042 k = 0.5710 0.3388 0.0544 ( 5162 PWs) bands (ev): -21.0964 -21.0964 -21.0923 -21.0923 -6.1565 -6.1565 -5.8892 -5.8892 -5.4389 -5.4389 -5.1717 -5.1717 -4.8319 -4.8319 -4.8045 -4.8045 -4.5885 -4.5885 -3.9504 -3.9504 1.0509 1.0509 1.6267 1.6267 2.8733 2.8733 3.1752 3.1752 3.7710 3.7710 3.9517 3.9517 4.5813 4.5813 4.9460 4.9460 5.6731 5.6731 6.0042 6.0042 8.5429 8.5429 9.3716 9.3716 9.5373 9.5373 9.6458 9.6458 k = 0.5591 0.3528 0.0453 ( 5162 PWs) bands (ev): -21.0963 -21.0963 -21.0924 -21.0924 -6.1592 -6.1592 -5.8919 -5.8919 -5.4385 -5.4385 -5.1732 -5.1732 -4.8315 -4.8315 -4.8036 -4.8036 -4.5849 -4.5849 -3.9425 -3.9425 1.0363 1.0363 1.6254 1.6254 2.8838 2.8838 3.1501 3.1501 3.7672 3.7672 3.9502 3.9502 4.5865 4.5865 4.9553 4.9553 5.7043 5.7043 6.0169 6.0169 8.5517 8.5517 9.3362 9.3362 9.5021 9.5021 9.6887 9.6887 k = 0.5473 0.3668 0.0363 ( 5158 PWs) bands (ev): -21.0962 -21.0962 -21.0925 -21.0925 -6.1613 -6.1613 -5.8943 -5.8943 -5.4382 -5.4382 -5.1745 -5.1745 -4.8311 -4.8311 -4.8029 -4.8029 -4.5818 -4.5818 -3.9358 -3.9358 1.0239 1.0239 1.6245 1.6245 2.8947 2.8947 3.1273 3.1273 3.7641 3.7641 3.9490 3.9490 4.5905 4.5905 4.9627 4.9627 5.7319 5.7319 6.0277 6.0277 8.5593 8.5593 9.3045 9.3045 9.4724 9.4724 9.7319 9.7319 k = 0.5355 0.3807 0.0272 ( 5154 PWs) bands (ev): -21.0961 -21.0961 -21.0926 -21.0926 -6.1630 -6.1630 -5.8961 -5.8961 -5.4379 -5.4379 -5.1755 -5.1755 -4.8309 -4.8309 -4.8023 -4.8023 -4.5794 -4.5794 -3.9306 -3.9306 1.0141 1.0141 1.6237 1.6237 2.9051 2.9051 3.1075 3.1075 3.7618 3.7618 3.9481 3.9481 4.5935 4.5935 4.9684 4.9684 5.7548 5.7548 6.0363 6.0363 8.5655 8.5655 9.2781 9.2781 9.4489 9.4489 9.7750 9.7750 k = 0.5237 0.3947 0.0181 ( 5146 PWs) bands (ev): -21.0961 -21.0961 -21.0926 -21.0926 -6.1642 -6.1642 -5.8975 -5.8975 -5.4378 -5.4378 -5.1762 -5.1762 -4.8307 -4.8307 -4.8019 -4.8019 -4.5777 -4.5777 -3.9268 -3.9268 1.0070 1.0070 1.6232 1.6232 2.9142 2.9142 3.0916 3.0916 3.7601 3.7601 3.9475 3.9475 4.5956 4.5956 4.9724 4.9724 5.7719 5.7719 6.0426 6.0426 8.5700 8.5700 9.2583 9.2583 9.4319 9.4319 9.8178 9.8178 k = 0.5118 0.4087 0.0091 ( 5142 PWs) bands (ev): -21.0960 -21.0960 -21.0927 -21.0927 -6.1649 -6.1649 -5.8983 -5.8983 -5.4376 -5.4376 -5.1766 -5.1766 -4.8305 -4.8305 -4.8016 -4.8016 -4.5766 -4.5766 -3.9246 -3.9246 1.0026 1.0026 1.6229 1.6229 2.9207 2.9207 3.0811 3.0811 3.7592 3.7592 3.9472 3.9472 4.5968 4.5968 4.9748 4.9748 5.7825 5.7825 6.0464 6.0464 8.5728 8.5728 9.2460 9.2460 9.4216 9.4216 9.8597 9.8597 k = 0.5000 0.4227 0.0000 ( 5140 PWs) bands (ev): -21.0960 -21.0960 -21.0927 -21.0927 -6.1651 -6.1651 -5.8986 -5.8986 -5.4376 -5.4376 -5.1768 -5.1768 -4.8305 -4.8305 -4.8015 -4.8015 -4.5763 -4.5763 -3.9238 -3.9238 1.0012 1.0012 1.6228 1.6228 2.9230 2.9230 3.0773 3.0773 3.7588 3.7588 3.9471 3.9471 4.5972 4.5972 4.9756 4.9756 5.7860 5.7860 6.0477 6.0477 8.5737 8.5737 9.2419 9.2419 9.4181 9.4181 9.8922 9.8922 Writing output data file Rb2Te2Pt.save init_run : 0.77s CPU 4.01s WALL ( 1 calls) electrons : 266.20s CPU 269.32s WALL ( 1 calls) Called by init_run: wfcinit : 0.00s CPU 0.01s WALL ( 1 calls) potinit : 0.06s CPU 0.12s WALL ( 1 calls) Called by electrons: c_bands : 266.19s CPU 269.31s WALL ( 1 calls) v_of_rho : 0.01s CPU 0.02s WALL ( 1 calls) v_h : 0.00s CPU 0.00s WALL ( 1 calls) v_xc : 0.01s CPU 0.02s WALL ( 1 calls) newd : 0.22s CPU 0.35s WALL ( 1 calls) Called by c_bands: init_us_2 : 0.05s CPU 0.07s WALL ( 328 calls) cegterg : 243.72s CPU 246.27s WALL ( 592 calls) Called by sum_band: Called by *egterg: h_psi : 171.69s CPU 173.76s WALL ( 10364 calls) s_psi : 8.22s CPU 8.24s WALL ( 10364 calls) g_psi : 0.31s CPU 0.32s WALL ( 9444 calls) cdiaghg : 59.80s CPU 60.30s WALL ( 9772 calls) cegterg:over : 7.44s CPU 7.66s WALL ( 9444 calls) cegterg:upda : 7.58s CPU 7.60s WALL ( 9444 calls) cegterg:last : 3.56s CPU 3.61s WALL ( 1559 calls) cdiaghg:chol : 3.49s CPU 3.50s WALL ( 9772 calls) cdiaghg:inve : 2.15s CPU 2.16s WALL ( 9772 calls) cdiaghg:para : 3.74s CPU 3.58s WALL ( 19544 calls) Called by h_psi: h_psi:vloc : 154.17s CPU 155.97s WALL ( 10364 calls) h_psi:vnl : 17.28s CPU 17.48s WALL ( 10364 calls) add_vuspsi : 9.14s CPU 9.34s WALL ( 10364 calls) General routines calbec : 8.08s CPU 8.11s WALL ( 10364 calls) fft : 0.02s CPU 0.02s WALL ( 19 calls) ffts : 0.00s CPU 0.00s WALL ( 4 calls) fftw : 138.70s CPU 140.15s WALL ( 876236 calls) interpolate : 0.01s CPU 0.01s WALL ( 4 calls) davcio : 0.21s CPU 0.32s WALL ( 656 calls) Parallel routines fft_scatter : 47.40s CPU 47.90s WALL ( 876259 calls) PWSCF : 4m43.79s CPU 5m 6.86s WALL This run was terminated on: 21:15:54 5Jan2017 =------------------------------------------------------------------------------= JOB DONE. =------------------------------------------------------------------------------=